*HEADER    RNA BINDING PROTEIN                     07-SEP-05   2AYM              
*TITLE     SOLUTION STRUCTURE OF DROSOPHILA MELANOGASTER SNF RBD2                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: U1 SMALL NUCLEAR RIBONUCLEOPROTEIN A;                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SNF RBD2;                                                  
*COMPND   5 SYNONYM: SNF, U1 SNRNP PROTEIN A, U1-A, SEX DETERMINATION            
*COMPND   6 PROTEIN SNF;                                                         
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER;                        
*SOURCE   3 ORGANISM_COMMON: FRUIT FLY;                                          
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: ROSETTA(DE3)PLYSS;                         
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET-28(A+)                                
*KEYWDS    SNF RBD2, RNA BINDING, RNA SPLICING, SOLUTION STRUCTURE               
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    G.CUI, C.LI, C.JIN, B.XIA                                             
*REVDAT   1   13-FEB-07 2AYM    0                                                

all.rst0100664000076400007640000307342210307610373010466 0ustar  cgfcgf#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,11,6,7, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 50., rk3=50.,  &end
#
#  chirality for residue 2 atoms:  CA CG HB2 HB3
 &rst iat=15,20,18,19, &end
#
#  chirality for residue 2 atoms:  CB CD HG2 HG3
 &rst iat=17,23,21,22, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=13,28,16,17, &end
#
#  chirality for residue 3 atoms:  CA CG2 OG1 HB
 &rst iat=32,36,40,35, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=30,42,33,34, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=46,51,49,50, &end
#
#  chirality for residue 4 atoms:  CB CD HG2 HG3
 &rst iat=48,54,52,53, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=44,57,47,48, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=61,66,64,65, &end
#
#  chirality for residue 5 atoms:  CB CD HG2 HG3
 &rst iat=63,69,67,68, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=59,74,62,63, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=86,80,84,85, &end
#
#  chirality for residue 6 atoms:  CB CD HG2 HG3
 &rst iat=83,77,81,82, &end
#
#  chirality for residue 6 atoms:  CG N HD2 HD3
 &rst iat=80,76,78,79, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=76,88,87,83, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=100,94,98,99, &end
#
#  chirality for residue 7 atoms:  CB CD HG2 HG3
 &rst iat=97,91,95,96, &end
#
#  chirality for residue 7 atoms:  CG N HD2 HD3
 &rst iat=94,90,92,93, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=90,102,101,97, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=106,111,109,110, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=104,116,107,108, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=120,125,123,124, &end
#
#  chirality for residue 9 atoms:  CB CD HG2 HG3
 &rst iat=122,128,126,127, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=118,133,121,122, &end
#
#  chirality for residue 10 atoms:  CA CG2 CG1 HB
 &rst iat=137,141,145,140, &end
#
#  chirality for residue 10 atoms:  CB CD1 HG12 HG13
 &rst iat=139,148,146,147, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=135,152,138,139, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=156,161,159,160, &end
#
#  chirality for residue 11 atoms:  CB CD1 CD2 HG
 &rst iat=158,163,167,162, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=154,171,157,158, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=175,180,178,179, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=173,191,176,177, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=195,200,198,199, &end
#
#  chirality for residue 13 atoms:  CB CD1 CD2 HG
 &rst iat=197,202,206,201, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=193,210,196,197, &end
#
#  chirality for residue 14 atoms:  CA CG2 OG1 HB
 &rst iat=214,218,222,217, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=212,224,215,216, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=228,233,231,232, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=226,238,229,230, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=242,247,245,246, &end
#
#  chirality for residue 16 atoms:  CB CD1 CD2 HG
 &rst iat=244,249,253,248, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=240,257,243,244, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=269,263,267,268, &end
#
#  chirality for residue 17 atoms:  CB CD HG2 HG3
 &rst iat=266,260,264,265, &end
#
#  chirality for residue 17 atoms:  CG N HD2 HD3
 &rst iat=263,259,261,262, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=259,271,270,266, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=275,280,278,279, &end
#
#  chirality for residue 18 atoms:  CB CD HG2 HG3
 &rst iat=277,283,281,282, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=273,286,276,277, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=290,295,293,294, &end
#
#  chirality for residue 19 atoms:  CB CD HG2 HG3
 &rst iat=292,298,296,297, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=288,301,291,292, &end
#
#  chirality for residue 20 atoms:  CA CG2 OG1 HB
 &rst iat=305,309,313,308, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=303,315,306,307, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=319,324,322,323, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=317,329,320,321, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=333,338,336,337, &end
#
#  chirality for residue 22 atoms:  CB CD HG2 HG3
 &rst iat=335,341,339,340, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=331,344,334,335, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=348,353,351,352, &end
#
#  chirality for residue 23 atoms:  CB SD HG2 HG3
 &rst iat=350,356,354,355, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=346,361,349,350, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=365,370,368,369, &end
#
#  chirality for residue 24 atoms:  CB SD HG2 HG3
 &rst iat=367,373,371,372, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=363,378,366,367, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=382,387,385,386, &end
#
#  chirality for residue 25 atoms:  CB CD1 CD2 HG
 &rst iat=384,389,393,388, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=380,397,383,384, &end
#
#  chirality for residue 26 atoms:  CA OG HB2 HB3
 &rst iat=401,406,404,405, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=399,408,402,403, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=412,417,415,416, &end
#
#  chirality for residue 27 atoms:  CB SD HG2 HG3
 &rst iat=414,420,418,419, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=410,425,413,414, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=429,434,432,433, &end
#
#  chirality for residue 28 atoms:  CB CD1 CD2 HG
 &rst iat=431,436,440,435, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=427,444,430,431, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=448,453,451,452, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=446,464,449,450, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=468,473,471,472, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=466,478,469,470, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=482,487,485,486, &end
#
#  chirality for residue 31 atoms:  CB CD HG2 HG3
 &rst iat=484,490,488,489, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=480,495,483,484, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=499,504,502,503, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=497,515,500,501, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=527,521,525,526, &end
#
#  chirality for residue 33 atoms:  CB CD HG2 HG3
 &rst iat=524,518,522,523, &end
#
#  chirality for residue 33 atoms:  CG N HD2 HD3
 &rst iat=521,517,519,520, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=517,529,528,524, &end
#
#  chirality for residue 34 atoms:  N C HA2 HA3
 &rst iat=531,536,534,535, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=540,545,543,544, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=538,556,541,542, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=560,565,563,564, &end
#
#  chirality for residue 36 atoms:  CB CD HG2 HG3
 &rst iat=562,568,566,567, &end
#
#  chirality for residue 36 atoms:  CD NZ HE2 HE3
 &rst iat=568,574,572,573, &end
#
#  chirality for residue 36 atoms:  CG CE HD2 HD3
 &rst iat=565,571,569,570, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=558,578,561,562, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=582,587,585,586, &end
#
#  chirality for residue 37 atoms:  CB CD HG2 HG3
 &rst iat=584,590,588,589, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=580,593,583,584, &end
#
#  chirality for residue 38 atoms:  CA CG1 CG2 HB
 &rst iat=597,601,605,600, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=595,609,598,599, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=613,618,616,617, &end
#
#  chirality for residue 39 atoms:  CB CD HG2 HG3
 &rst iat=615,621,619,620, &end
#
#  chirality for residue 39 atoms:  CG NE HD2 HD3
 &rst iat=618,624,622,623, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=611,633,614,615, &end
#
#  chirality for residue 40 atoms:  CA CG HB2 HB3
 &rst iat=637,642,640,641, &end
#
#  chirality for residue 40 atoms:  CB CD1 CD2 HG
 &rst iat=639,644,648,643, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=635,652,638,639, &end
#
#  chirality for residue 41 atoms:  CA CG1 CG2 HB
 &rst iat=656,660,664,659, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=654,668,657,658, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=680,674,678,679, &end
#
#  chirality for residue 42 atoms:  CB CD HG2 HG3
 &rst iat=677,671,675,676, &end
#
#  chirality for residue 42 atoms:  CG N HD2 HD3
 &rst iat=674,670,672,673, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=670,682,681,677, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=686,691,689,690, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=684,696,687,688, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=700,705,703,704, &end
#
#  chirality for residue 44 atoms:  CB CD HG2 HG3
 &rst iat=702,708,706,707, &end
#
#  chirality for residue 44 atoms:  CG NE HD2 HD3
 &rst iat=705,711,709,710, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=698,720,701,702, &end
#
#  chirality for residue 45 atoms:  CA CG HB2 HB3
 &rst iat=724,729,727,728, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=722,737,725,726, &end
#
#  chirality for residue 46 atoms:  CA CG HB2 HB3
 &rst iat=741,746,744,745, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=739,749,742,743, &end
#
#  chirality for residue 47 atoms:  CA CG2 CG1 HB
 &rst iat=753,757,761,756, &end
#
#  chirality for residue 47 atoms:  CB CD1 HG12 HG13
 &rst iat=755,764,762,763, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=751,768,754,755, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=770,778,773,774, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=782,787,785,786, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=780,798,783,784, &end
#
#  chirality for residue 50 atoms:  CA CG1 CG2 HB
 &rst iat=802,806,810,805, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=800,814,803,804, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=818,823,821,822, &end
#
#  chirality for residue 51 atoms:  CB CD HG2 HG3
 &rst iat=820,826,824,825, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=816,829,819,820, &end
#
#  chirality for residue 52 atoms:  CA CG HB2 HB3
 &rst iat=833,838,836,837, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=831,849,834,835, &end
#
#  chirality for residue 53 atoms:  CA CG2 OG1 HB
 &rst iat=853,857,861,856, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=851,863,854,855, &end
#
#  chirality for residue 54 atoms:  CA CG2 OG1 HB
 &rst iat=867,871,875,870, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=865,877,868,869, &end
#
#  chirality for residue 55 atoms:  CA CG HB2 HB3
 &rst iat=881,886,884,885, &end
#
#  chirality for residue 55 atoms:  CB CD HG2 HG3
 &rst iat=883,889,887,888, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=879,892,882,883, &end
#
#  chirality for residue 56 atoms:  CA CG HB2 HB3
 &rst iat=896,901,899,900, &end
#
#  chirality for residue 56 atoms:  CB CD1 CD2 HG
 &rst iat=898,903,907,902, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=894,911,897,898, &end
#
#  chirality for residue 57 atoms:  CA CG HB2 HB3
 &rst iat=915,920,918,919, &end
#
#  chirality for residue 57 atoms:  CB CD HG2 HG3
 &rst iat=917,923,921,922, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=913,928,916,917, &end
#
#  chirality for residue 58 atoms:  CA OG HB2 HB3
 &rst iat=932,937,935,936, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=930,939,933,934, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=943,948,946,947, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=941,953,944,945, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=955,963,958,959, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=965,973,968,969, &end
#
#  chirality for residue 62 atoms:  CA CG HB2 HB3
 &rst iat=977,982,980,981, &end
#
#  chirality for residue 62 atoms:  CB CD HG2 HG3
 &rst iat=979,985,983,984, &end
#
#  chirality for residue 62 atoms:  CD NZ HE2 HE3
 &rst iat=985,991,989,990, &end
#
#  chirality for residue 62 atoms:  CG CE HD2 HD3
 &rst iat=982,988,986,987, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=975,995,978,979, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=999,1004,1002,1003, &end
#
#  chirality for residue 63 atoms:  CB CD HG2 HG3
 &rst iat=1001,1007,1005,1006, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=997,1010,1000,1001, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=1012,1020,1015,1016, &end
#
#  chirality for residue 65 atoms:  CA CG HB2 HB3
 &rst iat=1024,1029,1027,1028, &end
#
#  chirality for residue 65 atoms:  CB CD1 CD2 HG
 &rst iat=1026,1031,1035,1030, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=1022,1039,1025,1026, &end
#
#  chirality for residue 66 atoms:  CA CG HB2 HB3
 &rst iat=1043,1048,1046,1047, &end
#
#  chirality for residue 66 atoms:  CB CD HG2 HG3
 &rst iat=1045,1051,1049,1050, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=1041,1056,1044,1045, &end
#
#  chirality for residue 67 atoms:  N C HA2 HA3
 &rst iat=1058,1063,1061,1062, &end
#
#  chirality for residue 68 atoms:  CA CG HB2 HB3
 &rst iat=1067,1072,1070,1071, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1065,1083,1068,1069, &end
#
#  chirality for residue 69 atoms:  CA CG HB2 HB3
 &rst iat=1087,1092,1090,1091, &end
#
#  chirality for residue 69 atoms:  CB CD HG2 HG3
 &rst iat=1089,1095,1093,1094, &end
#
#  chirality for residue 69 atoms:  CD NZ HE2 HE3
 &rst iat=1095,1101,1099,1100, &end
#
#  chirality for residue 69 atoms:  CG CE HD2 HD3
 &rst iat=1092,1098,1096,1097, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1085,1105,1088,1089, &end
#
#  chirality for residue 70 atoms:  CA CG2 CG1 HB
 &rst iat=1109,1113,1117,1112, &end
#
#  chirality for residue 70 atoms:  CB CD1 HG12 HG13
 &rst iat=1111,1120,1118,1119, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1107,1124,1110,1111, &end
#
#  chirality for residue 71 atoms:  CA CG2 OG1 HB
 &rst iat=1128,1132,1136,1131, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1126,1138,1129,1130, &end
#
#  chirality for residue 72 atoms:  CA CG HB2 HB3
 &rst iat=1150,1144,1148,1149, &end
#
#  chirality for residue 72 atoms:  CB CD HG2 HG3
 &rst iat=1147,1141,1145,1146, &end
#
#  chirality for residue 72 atoms:  CG N HD2 HD3
 &rst iat=1144,1140,1142,1143, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1140,1152,1151,1147, &end
#
#  chirality for residue 73 atoms:  CA CG2 OG1 HB
 &rst iat=1156,1160,1164,1159, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1154,1166,1157,1158, &end
#
#  chirality for residue 74 atoms:  CA CG HB2 HB3
 &rst iat=1170,1175,1173,1174, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1168,1183,1171,1172, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1185,1193,1188,1189, &end
#
#  chirality for residue 76 atoms:  CA CG HB2 HB3
 &rst iat=1197,1202,1200,1201, &end
#
#  chirality for residue 76 atoms:  CB SD HG2 HG3
 &rst iat=1199,1205,1203,1204, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1195,1210,1198,1199, &end
#
#  chirality for residue 77 atoms:  CA CG HB2 HB3
 &rst iat=1214,1219,1217,1218, &end
#
#  chirality for residue 77 atoms:  CB CD HG2 HG3
 &rst iat=1216,1222,1220,1221, &end
#
#  chirality for residue 77 atoms:  CD NZ HE2 HE3
 &rst iat=1222,1228,1226,1227, &end
#
#  chirality for residue 77 atoms:  CG CE HD2 HD3
 &rst iat=1219,1225,1223,1224, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1212,1232,1215,1216, &end
#
#  chirality for residue 78 atoms:  CA CG2 CG1 HB
 &rst iat=1236,1240,1244,1239, &end
#
#  chirality for residue 78 atoms:  CB CD1 HG12 HG13
 &rst iat=1238,1247,1245,1246, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1234,1251,1237,1238, &end
#
#  chirality for residue 79 atoms:  CA CG2 OG1 HB
 &rst iat=1255,1259,1263,1258, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1253,1265,1256,1257, &end
#
#  chirality for residue 80 atoms:  CA CG HB2 HB3
 &rst iat=1269,1274,1272,1273, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1267,1285,1270,1271, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1287,1295,1290,1291, &end
#
#  chirality for residue 82 atoms:  CA CG HB2 HB3
 &rst iat=1299,1304,1302,1303, &end
#
#  chirality for residue 82 atoms:  CB CD HG2 HG3
 &rst iat=1301,1307,1305,1306, &end
#
#  chirality for residue 82 atoms:  CD NZ HE2 HE3
 &rst iat=1307,1313,1311,1312, &end
#
#  chirality for residue 82 atoms:  CG CE HD2 HD3
 &rst iat=1304,1310,1308,1309, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1297,1317,1300,1301, &end
#
#  chirality for residue 83 atoms:  CA CG HB2 HB3
 &rst iat=1321,1326,1324,1325, &end
#
#  chirality for residue 83 atoms:  CB CD HG2 HG3
 &rst iat=1323,1329,1327,1328, &end
#
#  chirality for residue 83 atoms:  CD NZ HE2 HE3
 &rst iat=1329,1335,1333,1334, &end
#
#  chirality for residue 83 atoms:  CG CE HD2 HD3
 &rst iat=1326,1332,1330,1331, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1319,1339,1322,1323, &end
#
#  trans-omega constraint for residue 2
 &rst iat=15,13,11,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 150., rk3=150.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=32,30,28,15, &end
#
#  trans-omega constraint for residue 4
 &rst iat=46,44,42,32, &end
#
#  trans-omega constraint for residue 5
 &rst iat=61,59,57,46, &end
#
#  trans-omega constraint for residue 7
 &rst iat=100,90,88,86, &end
#
#  trans-omega constraint for residue 8
 &rst iat=106,104,102,100, &end
#
#  trans-omega constraint for residue 9
 &rst iat=120,118,116,106, &end
#
#  trans-omega constraint for residue 10
 &rst iat=137,135,133,120, &end
#
#  trans-omega constraint for residue 11
 &rst iat=156,154,152,137, &end
#
#  trans-omega constraint for residue 12
 &rst iat=175,173,171,156, &end
#
#  trans-omega constraint for residue 13
 &rst iat=195,193,191,175, &end
#
#  trans-omega constraint for residue 14
 &rst iat=214,212,210,195, &end
#
#  trans-omega constraint for residue 15
 &rst iat=228,226,224,214, &end
#
#  trans-omega constraint for residue 16
 &rst iat=242,240,238,228, &end
#
#  trans-omega constraint for residue 17
 &rst iat=269,259,257,242, &end
#
#  trans-omega constraint for residue 18
 &rst iat=275,273,271,269, &end
#
#  trans-omega constraint for residue 19
 &rst iat=290,288,286,275, &end
#
#  trans-omega constraint for residue 20
 &rst iat=305,303,301,290, &end
#
#  trans-omega constraint for residue 21
 &rst iat=319,317,315,305, &end
#
#  trans-omega constraint for residue 22
 &rst iat=333,331,329,319, &end
#
#  trans-omega constraint for residue 23
 &rst iat=348,346,344,333, &end
#
#  trans-omega constraint for residue 24
 &rst iat=365,363,361,348, &end
#
#  trans-omega constraint for residue 25
 &rst iat=382,380,378,365, &end
#
#  trans-omega constraint for residue 26
 &rst iat=401,399,397,382, &end
#
#  trans-omega constraint for residue 27
 &rst iat=412,410,408,401, &end
#
#  trans-omega constraint for residue 28
 &rst iat=429,427,425,412, &end
#
#  trans-omega constraint for residue 29
 &rst iat=448,446,444,429, &end
#
#  trans-omega constraint for residue 30
 &rst iat=468,466,464,448, &end
#
#  trans-omega constraint for residue 31
 &rst iat=482,480,478,468, &end
#
#  trans-omega constraint for residue 32
 &rst iat=499,497,495,482, &end
#
#  trans-omega constraint for residue 33
 &rst iat=527,517,515,499, &end
#
#  trans-omega constraint for residue 34
 &rst iat=533,531,529,527, &end
#
#  trans-omega constraint for residue 35
 &rst iat=540,538,536,533, &end
#
#  trans-omega constraint for residue 36
 &rst iat=560,558,556,540, &end
#
#  trans-omega constraint for residue 37
 &rst iat=582,580,578,560, &end
#
#  trans-omega constraint for residue 38
 &rst iat=597,595,593,582, &end
#
#  trans-omega constraint for residue 39
 &rst iat=613,611,609,597, &end
#
#  trans-omega constraint for residue 40
 &rst iat=637,635,633,613, &end
#
#  trans-omega constraint for residue 41
 &rst iat=656,654,652,637, &end
#
#  trans-omega constraint for residue 42
 &rst iat=680,670,668,656, &end
#
#  trans-omega constraint for residue 43
 &rst iat=686,684,682,680, &end
#
#  trans-omega constraint for residue 44
 &rst iat=700,698,696,686, &end
#
#  trans-omega constraint for residue 45
 &rst iat=724,722,720,700, &end
#
#  trans-omega constraint for residue 46
 &rst iat=741,739,737,724, &end
#
#  trans-omega constraint for residue 47
 &rst iat=753,751,749,741, &end
#
#  trans-omega constraint for residue 48
 &rst iat=772,770,768,753, &end
#
#  trans-omega constraint for residue 49
 &rst iat=782,780,778,772, &end
#
#  trans-omega constraint for residue 50
 &rst iat=802,800,798,782, &end
#
#  trans-omega constraint for residue 51
 &rst iat=818,816,814,802, &end
#
#  trans-omega constraint for residue 52
 &rst iat=833,831,829,818, &end
#
#  trans-omega constraint for residue 53
 &rst iat=853,851,849,833, &end
#
#  trans-omega constraint for residue 54
 &rst iat=867,865,863,853, &end
#
#  trans-omega constraint for residue 55
 &rst iat=881,879,877,867, &end
#
#  trans-omega constraint for residue 56
 &rst iat=896,894,892,881, &end
#
#  trans-omega constraint for residue 57
 &rst iat=915,913,911,896, &end
#
#  trans-omega constraint for residue 58
 &rst iat=932,930,928,915, &end
#
#  trans-omega constraint for residue 59
 &rst iat=943,941,939,932, &end
#
#  trans-omega constraint for residue 60
 &rst iat=957,955,953,943, &end
#
#  trans-omega constraint for residue 61
 &rst iat=967,965,963,957, &end
#
#  trans-omega constraint for residue 62
 &rst iat=977,975,973,967, &end
#
#  trans-omega constraint for residue 63
 &rst iat=999,997,995,977, &end
#
#  trans-omega constraint for residue 64
 &rst iat=1014,1012,1010,999, &end
#
#  trans-omega constraint for residue 65
 &rst iat=1024,1022,1020,1014, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1060,1058,1056,1043, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1067,1065,1063,1060, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1087,1085,1083,1067, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1109,1107,1105,1087, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1128,1126,1124,1109, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1150,1140,1138,1128, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1156,1154,1152,1150, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1170,1168,1166,1156, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1187,1185,1183,1170, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1197,1195,1193,1187, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1214,1212,1210,1197, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1236,1234,1232,1214, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1255,1253,1251,1236, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1269,1267,1265,1255, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1289,1287,1285,1269, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1299,1297,1295,1289, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1321,1319,1317,1299, &end
#
#   43 ASN  HN           42 PRO  HA          2.80    (#      0:20  Unique    2.08, 2.59 A)
 &rst
  ixpk= 0, nxpk= 20, iat= 685, 681, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#   70 ILE  HN           70 ILE  HA          3.50    (#      1:20  Unique    2.89, 2.90 A)
 &rst
  ixpk= 1, nxpk= 20, iat=1108,1110, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 GLY  HN           33 PRO  HA          3.50    (#      2:20  Unique    3.26, 3.43 A)
 &rst
  ixpk= 2, nxpk= 20, iat= 532, 528, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 SER  HN           26 SER  HB+         4.50    (#      3:20  Unique    2.54, 3.09 A)
 &rst
  ixpk= 3, nxpk= 20, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 404, 405,
 &end
#
#   26 SER  HN           26 SER  HB-         4.50    (#      4:20  Unique    2.54, 3.09 A)
 &rst
  ixpk= 4, nxpk= 20, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 404, 405,
 &end
#
#   26 SER  HN           26 SER  HA          4.50    (#      5:20  Unique    2.81, 2.84 A)
 &rst
  ixpk= 5, nxpk= 20, iat= 400, 402, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:6       29 PHE  HA          4.50    (#      6:20  Single Ambig)
 &rst
  ixpk= 6, nxpk= 20, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 447, 493, 494,
 &end
#
#    4 GLU  HN            3 THR  HA          3.50    (#      7:20  Unique    2.20, 2.46 A)
 &rst
  ixpk= 7, nxpk= 20, iat=  45,  33, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   74 HIS  HN           73 THR  HA          4.50    (#      8:20  Unique    3.10, 3.49 A)
 &rst
  ixpk= 8, nxpk= 20, iat=1169,1157, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 PHE  HN           68 PHE  HA          3.50    (#      9:20  Unique    2.84, 2.86 A)
 &rst
  ixpk= 9, nxpk= 20, iat=1066,1068, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 LYS  HN           68 PHE  HA          3.50    (#     10:20  Unique    2.15, 2.19 A)
 &rst
  ixpk= 10, nxpk= 20, iat=1086,1068, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   79 THR  HN           79 THR  HA          4.50    (#     11:20  Unique    2.93, 2.96 A)
 &rst
  ixpk= 11, nxpk= 20, iat=1254,1256, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   80 PHE  HN           79 THR  HA          3.50    (#     12:20  Unique    2.28, 2.37 A)
 &rst
  ixpk= 12, nxpk= 20, iat=1268,1256, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 SER  HN           23 MET  HA          4.50    (#     13:20  Unique    3.12, 3.29 A)
 &rst
  ixpk= 13, nxpk= 20, iat= 400, 349, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 MET  HN           23 MET  HA          3.50    (#     14:20  Unique    2.82, 2.86 A)
 &rst
  ixpk= 14, nxpk= 20, iat= 347, 349, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 MET  HN           24 MET  HA          3.50    (#     15:20  Unique    2.84, 2.88 A)
 &rst
  ixpk= 15, nxpk= 20, iat= 364, 366, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 GLU  HN           63 GLU  HA          3.50    (#     16:20  Unique    2.81, 2.82 A)
 &rst
  ixpk= 16, nxpk= 20, iat= 998,1000, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 MET  HN           27 MET  HA          3.50    (#     17:20  Unique    2.81, 2.85 A)
 &rst
  ixpk= 17, nxpk= 20, iat= 411, 413, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 SER  HN            0 AMB  20-1:18     4.50    (#     18:20  Single Ambig)
 &rst
  ixpk= 18, nxpk= 20, iat= 931,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 882, 897,
 &end
#
#   56 LEU  HN           56 LEU  HA          3.50    (#     19:20  Unique    2.87, 2.89 A)
 &rst
  ixpk= 19, nxpk= 20, iat= 895, 897, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 ASN  HN           59 ASN  HA          2.80    (#     20:20  Unique    2.80, 2.81 A)
 &rst
  ixpk= 20, nxpk= 20, iat= 942, 944, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   59 ASN  HD2+         59 ASN  HA          4.50    (#     21:20  Unique    4.30, 4.56 A)
 &rst
  ixpk= 21, nxpk= 20, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 951, 952,
 &end
#
#   76 MET  HN           76 MET  HA          3.50    (#     22:20  Unique    2.79, 2.81 A)
 &rst
  ixpk= 22, nxpk= 20, iat=1196,1198, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   77 LYS  HN           76 MET  HA          2.80    (#     23:20  Unique    2.21, 2.25 A)
 &rst
  ixpk= 23, nxpk= 20, iat=1213,1198, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   67 GLY  HN           66 GLN  HA          2.80    (#     24:20  Unique    2.16, 2.18 A)
 &rst
  ixpk= 24, nxpk= 20, iat=1059,1044, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   75 ALA  HN           74 HIS  HA          2.80    (#     25:20  Unique    2.13, 2.20 A)
 &rst
  ixpk= 25, nxpk= 20, iat=1186,1171, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   74 HIS  HN           74 HIS  HA          4.50    (#     26:20  Unique    2.97, 2.98 A)
 &rst
  ixpk= 26, nxpk= 20, iat=1169,1171, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 GLU  HN           19 GLU  HA          2.80    (#     27:20  Unique    2.83, 2.84 A)
 &rst
  ixpk= 27, nxpk= 20, iat= 289, 291, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   36 LYS  HN           36 LYS  HA          4.50    (#     28:20  Unique    2.97, 2.99 A)
 &rst
  ixpk= 28, nxpk= 20, iat= 559, 561, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   83 LYS  HN           82 LYS  HA          2.80    (#     30:20  Unique    2.23, 2.47 A)
 &rst
  ixpk= 30, nxpk= 20, iat=1320,1300, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   31 GLN  HE2+         28 LEU  HA          3.50    (#     31:20  Unique    2.72, 3.39 A)
 &rst
  ixpk= 31, nxpk= 20, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 493, 494,
 &end
#
#    5 GLN  HN            4 GLU  HA          2.80    (#     32:20  Unique    2.26, 2.37 A)
 &rst
  ixpk= 32, nxpk= 20, iat=  60,  47, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    3 THR  HN            2 GLN  HA          4.50    (#     34:20  Unique    2.21, 2.39 A)
 &rst
  ixpk= 34, nxpk= 20, iat=  31,  16, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 PHE  HN           31 GLN  HA          4.50    (#     35:20  Unique    3.46, 3.48 A)
 &rst
  ixpk= 35, nxpk= 20, iat= 498, 483, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 VAL  HN           37 GLU  HA          2.80    (#     36:20  Unique    2.33, 2.43 A)
 &rst
  ixpk= 36, nxpk= 20, iat= 596, 583, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   63 GLU  HN           60 ALA  HA          3.50    (#     39:20  Unique    3.24, 3.38 A)
 &rst
  ixpk= 39, nxpk= 20, iat= 998, 958, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   43 ASN  HN           43 ASN  HA          2.80    (#     40:20  Unique    2.17, 2.65 A)
 &rst
  ixpk= 40, nxpk= 20, iat= 685, 687, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   44 ARG  HN           43 ASN  HA          4.50    (#     41:20  Unique    3.30, 3.47 A)
 &rst
  ixpk= 41, nxpk= 20, iat= 699, 687, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 LEU  HN           64 ALA  HA          4.50    (#     42:20  Unique    3.59, 3.60 A)
 &rst
  ixpk= 42, nxpk= 20, iat=1023,1015, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 LEU  HN           65 LEU  HA          4.50    (#     43:20  Unique    2.97, 2.98 A)
 &rst
  ixpk= 43, nxpk= 20, iat=1023,1025, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 ASN  HN           15 ASN  HA          2.80    (#     44:20  Unique    2.20, 2.21 A)
 &rst
  ixpk= 44, nxpk= 20, iat= 227, 229, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   30 ASN  HN           30 ASN  HA          3.50    (#     45:20  Unique    2.78, 2.80 A)
 &rst
  ixpk= 45, nxpk= 20, iat= 467, 469, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 LEU  HN           15 ASN  HA          3.50    (#     46:20  Unique    2.81, 2.88 A)
 &rst
  ixpk= 46, nxpk= 20, iat= 241, 229, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    2 GLN  HN            1 ALA  HA          4.50    (#     47:20  Unique    2.20, 2.91 A)
 &rst
  ixpk= 47, nxpk= 20, iat=  14,   6, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   49 PHE  HN           48 ALA  HA          2.80    (#     48:20  Unique    2.52, 2.57 A)
 &rst
  ixpk= 48, nxpk= 20, iat= 781, 773, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   48 ALA  HN           48 ALA  HA          4.50    (#     49:20  Unique    2.89, 2.91 A)
 &rst
  ixpk= 49, nxpk= 20, iat= 771, 773, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   81 ALA  HN           81 ALA  HA          3.50    (#     50:20  Unique    2.89, 2.91 A)
 &rst
  ixpk= 50, nxpk= 20, iat=1288,1290, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   82 LYS  HN           81 ALA  HA          2.80    (#     51:20  Unique    2.19, 2.36 A)
 &rst
  ixpk= 51, nxpk= 20, iat=1298,1290, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   67 GLY  HN           67 GLY  HA+         3.50    (#     52:20  Unique    2.27, 2.61 A)
 &rst
  ixpk= 52, nxpk= 20, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1061,1062,
 &end
#
#   15 ASN  HN           14 THR  HB          3.50    (#     53:20  Unique    2.32, 2.39 A)
 &rst
  ixpk= 53, nxpk= 20, iat= 227, 217, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 THR  HN           53 THR  HA          4.50    (#     54:20  Unique    2.82, 2.84 A)
 &rst
  ixpk= 54, nxpk= 20, iat= 852, 854, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 PHE  HD           29 PHE  HA          3.50    (#     55:20  Unique    2.45, 3.41 A)
 &rst
  ixpk= 55, nxpk= 20, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 455, 463,
 &end
#
#   32 PHE  HD           29 PHE  HA          3.50    (#     56:20  Unique    2.47, 4.40 A)
 &rst
  ixpk= 56, nxpk= 20, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 506, 514,
 &end
#
#    0 AMB  20-2:57       0 AMB  20-1:57     3.50    (#     57:20  Double Ambig)
 &rst
  ixpk= 57, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1042,1013,
 igr2=1044,1000,
 &end
#
#   57 GLN  HN           57 GLN  HA          4.50    (#     58:20  Unique    2.89, 2.91 A)
 &rst
  ixpk= 58, nxpk= 20, iat= 914, 916, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 GLN  HN           66 GLN  HA          4.50    (#     59:20  Unique    2.83, 2.86 A)
 &rst
  ixpk= 59, nxpk= 20, iat=1042,1044, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 ASN  HD2-         74 HIS  HA          3.50    (#     60:20  Unique    2.61, 3.14 A)
 &rst
  ixpk= 60, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 236, 237,
 &end
#
#   20 THR  HN           19 GLU  HA          4.50    (#     61:20  Unique    3.33, 3.42 A)
 &rst
  ixpk= 61, nxpk= 20, iat= 304, 291, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:62      25 LEU  HA          3.50    (#     62:20  Single Ambig)
 &rst
  ixpk= 62, nxpk= 20, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 381, 457, 461,
 &end
#
#   28 LEU  HN           28 LEU  HA          3.50    (#     63:20  Unique    2.85, 2.87 A)
 &rst
  ixpk= 63, nxpk= 20, iat= 428, 430, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 GLN  HN           31 GLN  HA          2.80    (#     65:20  Unique    2.82, 2.82 A)
 &rst
  ixpk= 65, nxpk= 20, iat= 481, 483, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   61 ALA  HN           60 ALA  HA          3.50    (#     66:20  Unique    3.55, 3.55 A)
 &rst
  ixpk= 66, nxpk= 20, iat= 966, 958, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 ALA  HN           60 ALA  HA          3.50    (#     67:20  Unique    2.84, 2.84 A)
 &rst
  ixpk= 67, nxpk= 20, iat= 956, 958, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 ALA  HN           64 ALA  HA          3.50    (#     68:20  Unique    2.83, 2.83 A)
 &rst
  ixpk= 68, nxpk= 20, iat=1013,1015, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 THR  HN           20 THR  HB          3.50    (#     69:20  Unique    2.60, 2.65 A)
 &rst
  ixpk= 69, nxpk= 20, iat= 304, 308, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 THR  HN           20 THR  HA          3.50    (#     70:20  Unique    2.85, 2.87 A)
 &rst
  ixpk= 70, nxpk= 20, iat= 304, 306, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 ASN  HN           20 THR  HA          2.80    (#     71:20  Unique    2.25, 2.31 A)
 &rst
  ixpk= 71, nxpk= 20, iat= 318, 306, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   35 PHE  HN           33 PRO  HA          4.50    (#     74:20  Unique    4.02, 4.19 A)
 &rst
  ixpk= 74, nxpk= 20, iat= 539, 528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   80 PHE  HD           59 ASN  HA          5.50    (#     75:20  Unique    4.65, 5.65 A)
 &rst
  ixpk= 75, nxpk= 20, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1276,1284,
 &end
#
#   25 LEU  HN           22 GLU  HA          4.50    (#     76:20  Unique    3.51, 3.66 A)
 &rst
  ixpk= 76, nxpk= 20, iat= 381, 334, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 PHE  HN           34 GLY  HA+         4.50    (#     77:20  Unique    3.07, 3.34 A)
 &rst
  ixpk= 77, nxpk= 20, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 534, 535,
 &end
#
#    0 AMB  20-2:78       0 AMB  20-1:78     4.50    (#     78:20  Double Ambig)
 &rst
  ixpk= 78, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 926, 927, 840, 848,
 igr2= 534, 535, 534, 535,
 &end
#
#   32 PHE  HD           32 PHE  HB+         4.50    (#     79:20  Unique    2.33, 3.10 A)
 &rst
  ixpk= 79, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 506, 514,
 igr2= 502, 503,
 &end
#
#   32 PHE  HN           32 PHE  HB+         4.50    (#     80:20  Unique    2.60, 3.19 A)
 &rst
  ixpk= 80, nxpk= 20, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 502, 503,
 &end
#
#   77 LYS  HN           15 ASN  HB+         4.50    (#     81:20  Unique    3.04, 3.86 A)
 &rst
  ixpk= 81, nxpk= 20, iat=1213,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 231, 232,
 &end
#
#   15 ASN  HD2+         15 ASN  HB+         3.50    (#     82:20  Unique    2.21, 3.26 A)
 &rst
  ixpk= 82, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 236, 237,
 igr2= 231, 232,
 &end
#
#   35 PHE  HE           29 PHE  HA          5.50    (#     83:20  Unique    5.82, 6.23 A)
 &rst
  ixpk= 83, nxpk= 20, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 549, 553,
 &end
#
#   32 PHE  HZ           29 PHE  HA          4.50    (#     84:20  Unique    4.46, 4.51 A)
 &rst
  ixpk= 84, nxpk= 20, iat= 510, 449, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 PHE  HE           29 PHE  HA          5.50    (#     85:20  Unique    2.27, 4.21 A)
 &rst
  ixpk= 85, nxpk= 20, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 508, 512,
 &end
#
#   28 LEU  HN           25 LEU  HA          4.50    (#     86:20  Unique    2.99, 3.16 A)
 &rst
  ixpk= 86, nxpk= 20, iat= 428, 383, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 ASN  HD2+         27 MET  HA          4.50    (#     87:20  Unique    3.23, 4.76 A)
 &rst
  ixpk= 87, nxpk= 20, iat=  -1, 413, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 476, 477,
 &end
#
#   37 GLU  HN           36 LYS  HA          4.50    (#     88:20  Unique    3.66, 3.69 A)
 &rst
  ixpk= 88, nxpk= 20, iat= 581, 561, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 GLU  HN           37 GLU  HA          3.50    (#     89:20  Unique    2.91, 2.95 A)
 &rst
  ixpk= 89, nxpk= 20, iat= 581, 583, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 PHE  HD           30 ASN  HA          3.50    (#     90:20  Unique    2.16, 4.04 A)
 &rst
  ixpk= 90, nxpk= 20, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 547, 555,
 &end
#
#   30 ASN  HD2+         30 ASN  HA          5.50    (#     91:20  Unique    2.63, 4.21 A)
 &rst
  ixpk= 91, nxpk= 20, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 476, 477,
 &end
#
#    0 AMB  20-2:92       0 AMB  20-1:92     4.50    (#     92:20  Double Ambig)
 &rst
  ixpk= 92, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=  72,  73, 114, 115,
 igr2=1300,1322,
 &end
#
#   35 PHE  HE           37 GLU  HA          3.50    (#     94:20  Unique    3.12, 4.31 A)
 &rst
  ixpk= 94, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 549, 553,
 &end
#
#   35 PHE  HZ           37 GLU  HA          4.50    (#     95:20  Unique    2.75, 3.46 A)
 &rst
  ixpk= 95, nxpk= 20, iat= 551, 583, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 GLN  HN           56 LEU  HA          4.50    (#     96:20  Unique    3.57, 3.59 A)
 &rst
  ixpk= 96, nxpk= 20, iat= 914, 897, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:97       0 AMB  20-1:97     4.50    (#     97:20  Double Ambig)
 &rst
  ixpk= 97, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 114, 115, 114, 115,
 igr2=1300,1322,
 &end
#
#   15 ASN  HD2-         15 ASN  HB+         4.50    (#     98:20  Unique    2.21, 3.26 A)
 &rst
  ixpk= 98, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 236, 237,
 igr2= 231, 232,
 &end
#
#   58 SER  HG            9 GLN  HA          3.50    (#     99:20  Unique    2.22, 2.27 A)
 &rst
  ixpk= 99, nxpk= 20, iat= 938, 121, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 SER  HG           55 GLU  HA          3.50    (#    100:20  Unique    2.38, 2.51 A)
 &rst
  ixpk= 100, nxpk= 20, iat= 938, 882, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   14 THR  HA           14 THR  HB          3.50    (#    101:20  Unique    2.51, 2.55 A)
 &rst
  ixpk= 101, nxpk= 20, iat= 215, 217, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 PHE  HA           33 PRO  HD+         4.50    (#    103:20  Unique    2.03, 2.34 A)
 &rst
  ixpk= 103, nxpk= 20, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 519, 520,
 &end
#
#   76 MET  HN           69 LYS  HA          5.50    (#    106:20  Unique    3.49, 3.56 A)
 &rst
  ixpk= 106, nxpk= 20, iat=1196,1088, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   76 MET  HN           75 ALA  HA          4.50    (#    107:20  Unique    2.15, 2.18 A)
 &rst
  ixpk= 107, nxpk= 20, iat=1196,1188, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 GLY  HN           34 GLY  HA-         4.50    (#    108:20  Unique    2.44, 2.74 A)
 &rst
  ixpk= 108, nxpk= 20, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 534, 535,
 &end
#
#   48 ALA  HN           47 ILE  HA          3.50    (#    109:20  Unique    2.33, 2.41 A)
 &rst
  ixpk= 109, nxpk= 20, iat= 771, 754, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 LYS  HN           52 PHE  HA          3.50    (#    110:20  Unique    2.29, 2.51 A)
 &rst
  ixpk= 110, nxpk= 20, iat= 559, 834, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:111      0 AMB  20-1:111    3.50    (#    111:20  Double Ambig)
 &rst
  ixpk= 111, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1288, 227,1268,
 igr2=1270, 215,
 &end
#
#   53 THR  HN           52 PHE  HA          3.50    (#    112:20  Unique    2.20, 2.26 A)
 &rst
  ixpk= 112, nxpk= 20, iat= 852, 834, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   52 PHE  HN           51 GLU  HA          3.50    (#    113:20  Unique    2.13, 2.18 A)
 &rst
  ixpk= 113, nxpk= 20, iat= 832, 819, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 LEU  HN           12 PHE  HA          2.80    (#    114:20  Unique    2.18, 2.22 A)
 &rst
  ixpk= 114, nxpk= 20, iat= 194, 176, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   14 THR  HN           13 LEU  HA          2.80    (#    115:20  Unique    2.18, 2.23 A)
 &rst
  ixpk= 115, nxpk= 20, iat= 213, 196, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   11 LEU  HN           10 ILE  HA          4.50    (#    119:20  Unique    2.17, 2.21 A)
 &rst
  ixpk= 119, nxpk= 20, iat= 155, 138, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 GLU  HN           54 THR  HA          4.50    (#    120:20  Unique    2.12, 2.16 A)
 &rst
  ixpk= 120, nxpk= 20, iat= 880, 868, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 PHE  HN           11 LEU  HA          4.50    (#    121:20  Unique    2.14, 2.23 A)
 &rst
  ixpk= 121, nxpk= 20, iat= 174, 157, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 VAL  HN           41 VAL  HA          4.50    (#    122:20  Unique    2.90, 2.95 A)
 &rst
  ixpk= 122, nxpk= 20, iat= 655, 657, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 GLU  HN           55 GLU  HA          4.50    (#    123:20  Unique    2.81, 2.83 A)
 &rst
  ixpk= 123, nxpk= 20, iat= 880, 882, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 VAL  HN           40 LEU  HA          3.50    (#    124:20  Unique    2.20, 2.37 A)
 &rst
  ixpk= 124, nxpk= 20, iat= 655, 638, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 GLU  HN           54 THR  HB          4.50    (#    125:20  Unique    2.63, 2.74 A)
 &rst
  ixpk= 125, nxpk= 20, iat= 880, 870, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 GLN  HN            9 GLN  HA          4.50    (#    126:20  Unique    2.86, 2.89 A)
 &rst
  ixpk= 126, nxpk= 20, iat= 119, 121, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 GLU  HN           17 PRO  HA          2.80    (#    127:20  Unique    2.26, 2.33 A)
 &rst
  ixpk= 127, nxpk= 20, iat= 274, 270, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   18 GLU  HN           18 GLU  HA          3.50    (#    128:20  Unique    2.79, 2.84 A)
 &rst
  ixpk= 128, nxpk= 20, iat= 274, 276, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 GLU  HN           18 GLU  HA          4.50    (#    129:20  Unique    3.37, 3.47 A)
 &rst
  ixpk= 129, nxpk= 20, iat= 289, 276, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 MET  HN           22 GLU  HA          4.50    (#    130:20  Unique    3.52, 3.55 A)
 &rst
  ixpk= 130, nxpk= 20, iat= 347, 334, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 GLY  HN           67 GLY  HA-         3.50    (#    131:20  Unique    2.27, 2.61 A)
 &rst
  ixpk= 131, nxpk= 20, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1061,1062,
 &end
#
#   62 LYS  HN           62 LYS  HA          3.50    (#    132:20  Unique    2.83, 2.84 A)
 &rst
  ixpk= 132, nxpk= 20, iat= 976, 978, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 PHE  HN           68 PHE  HB+         3.50    (#    133:20  Unique    2.37, 2.49 A)
 &rst
  ixpk= 133, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1070,1071,
 &end
#
#    0 AMB  20-2:134     62 LYS  HA          4.50    (#    134:20  Single Ambig)
 &rst
  ixpk= 134, nxpk= 20, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1042,1013,
 &end
#
#   20 THR  HN           18 GLU  HA          5.50    (#    135:20  Unique    3.18, 3.45 A)
 &rst
  ixpk= 135, nxpk= 20, iat= 304, 276, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 PHE  HD           58 SER  HA          4.50    (#    136:20  Unique    3.48, 3.81 A)
 &rst
  ixpk= 136, nxpk= 20, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 840, 848,
 &end
#
#   39 ARG  HE           39 ARG  HD-         4.50    (#    137:20  Unique    2.24, 2.65 A)
 &rst
  ixpk= 137, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 622, 623,
 &end
#
#    0 AMB  20-2:138      0 AMB  20-1:138    4.50    (#    138:20  Double Ambig)
 &rst
  ixpk= 138, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 114, 115,1276,1284,
 igr2= 109, 110, 109, 110,
 &end
#
#   21 ASN  HD2+         21 ASN  HB+         4.50    (#    139:20  Unique    2.24, 3.30 A)
 &rst
  ixpk= 139, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 327, 328,
 igr2= 322, 323,
 &end
#
#    0 AMB  20-2:140      0 AMB  20-1:140    4.50    (#    140:20  Double Ambig)
 &rst
  ixpk= 140, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1276,1284, 114, 115,
 igr2=1272,1273,1272,1273,
 &end
#
#   32 PHE  HD            0 AMB  20-1:141    3.50    (#    141:20  Single Ambig)
 &rst
  ixpk= 141, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 506, 514,
 igr2= 502, 503, 543, 544,
 &end
#
#   35 PHE  HN            0 AMB  20-1:142    3.50    (#    142:20  Single Ambig)
 &rst
  ixpk= 142, nxpk= 20, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 543, 544, 502, 503,
 &end
#
#   32 PHE  HN            0 AMB  20-1:144    4.50    (#    144:20  Single Ambig)
 &rst
  ixpk= 144, nxpk= 20, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 502, 503, 543, 544,
 &end
#
#   58 SER  HN           58 SER  HA          4.50    (#    145:20  Unique    2.80, 2.85 A)
 &rst
  ixpk= 145, nxpk= 20, iat= 931, 933, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   43 ASN  HN           43 ASN  HB+         4.50    (#    146:20  Unique    2.79, 3.33 A)
 &rst
  ixpk= 146, nxpk= 20, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 689, 690,
 &end
#
#   43 ASN  HN           43 ASN  HB-         4.50    (#    147:20  Unique    2.79, 3.33 A)
 &rst
  ixpk= 147, nxpk= 20, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 689, 690,
 &end
#
#    0 AMB  20-2:148      0 AMB  20-1:148    3.50    (#    148:20  Double Ambig)
 &rst
  ixpk= 148, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 801, 781,
 igr2= 785, 786, 785, 786,
 &end
#
#   49 PHE  HN           49 PHE  HB-         3.50    (#    149:20  Unique    2.61, 3.24 A)
 &rst
  ixpk= 149, nxpk= 20, iat= 781,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 785, 786,
 &end
#
#   53 THR  HN            0 AMB  20-1:152    4.50    (#    152:20  Single Ambig)
 &rst
  ixpk= 152, nxpk= 20, iat= 852,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 572, 573, 572, 573,
 &end
#
#   80 PHE  HN           80 PHE  HB-         4.50    (#    153:20  Unique    2.26, 2.97 A)
 &rst
  ixpk= 153, nxpk= 20, iat=1268,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1272,1273,
 &end
#
#   22 GLU  HN           21 ASN  HB+         3.50    (#    154:20  Unique    2.28, 3.70 A)
 &rst
  ixpk= 154, nxpk= 20, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 322, 323,
 &end
#
#   46 ASP  HN           46 ASP  HB+         4.50    (#    156:20  Unique    2.11, 2.99 A)
 &rst
  ixpk= 156, nxpk= 20, iat= 740,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 744, 745,
 &end
#
#   12 PHE  HN           12 PHE  HB-         4.50    (#    157:20  Unique    2.40, 2.80 A)
 &rst
  ixpk= 157, nxpk= 20, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 178, 179,
 &end
#
#    9 GLN  HN            0 AMB  20-1:158    3.50    (#    158:20  Single Ambig)
 &rst
  ixpk= 158, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 126, 127, 126, 127,
 &end
#
#   22 GLU  HN            0 AMB  20-1:160    3.50    (#    160:20  Single Ambig)
 &rst
  ixpk= 160, nxpk= 20, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 339, 340, 339, 340,
 &end
#
#   55 GLU  HN            0 AMB  20-1:161    4.50    (#    161:20  Single Ambig)
 &rst
  ixpk= 161, nxpk= 20, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 126, 127, 126, 127,
 &end
#
#   76 MET  HN           76 MET  HB+         4.50    (#    162:20  Unique    2.27, 2.43 A)
 &rst
  ixpk= 162, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1200,1201,
 &end
#
#   76 MET  HN           76 MET  HB-         4.50    (#    163:20  Unique    2.27, 2.43 A)
 &rst
  ixpk= 163, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1200,1201,
 &end
#
#   46 ASP  HN           46 ASP  HB-         4.50    (#    164:20  Unique    2.11, 2.99 A)
 &rst
  ixpk= 164, nxpk= 20, iat= 740,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 744, 745,
 &end
#
#   34 GLY  HN           33 PRO  HB+         4.50    (#    166:20  Unique    3.28, 4.17 A)
 &rst
  ixpk= 166, nxpk= 20, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 525, 526,
 &end
#
#   15 ASN  HN           15 ASN  HB-         4.50    (#    167:20  Unique    3.01, 3.36 A)
 &rst
  ixpk= 167, nxpk= 20, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 231, 232,
 &end
#
#   22 GLU  HN           22 GLU  HB+         3.50    (#    168:20  Unique    2.17, 2.41 A)
 &rst
  ixpk= 168, nxpk= 20, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 336, 337,
 &end
#
#   41 VAL  HN           41 VAL  HB          4.50    (#    170:20  Unique    2.38, 2.54 A)
 &rst
  ixpk= 170, nxpk= 20, iat= 655, 659, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 VAL  HN           40 LEU  HB+         4.50    (#    172:20  Unique    2.08, 3.03 A)
 &rst
  ixpk= 172, nxpk= 20, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 640, 641,
 &end
#
#   41 VAL  HN           40 LEU  HB-         4.50    (#    173:20  Unique    2.08, 3.03 A)
 &rst
  ixpk= 173, nxpk= 20, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 640, 641,
 &end
#
#   78 ILE  HN           78 ILE  HB          4.50    (#    174:20  Unique    2.58, 2.66 A)
 &rst
  ixpk= 174, nxpk= 20, iat=1235,1239, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 VAL  HN           40 LEU  MDX         4.50    (#    175:20  Unique    3.60, 4.93 A)
 &rst
  ixpk= 175, nxpk= 20, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   22 GLU  HN           40 LEU  MDX         3.50    (#    176:20  Unique    2.11, 4.04 A)
 &rst
  ixpk= 176, nxpk= 20, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   79 THR  HN           13 LEU  MDX         4.50    (#    177:20  Unique    3.14, 5.77 A)
 &rst
  ixpk= 177, nxpk= 20, iat=1254,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   12 PHE  HN           13 LEU  MDX         4.50    (#    178:20  Unique    3.55, 5.99 A)
 &rst
  ixpk= 178, nxpk= 20, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   78 ILE  HN            0 AMB  20-1:179    4.50    (#    179:20  Single Ambig)
 &rst
  ixpk= 179, nxpk= 20, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1220,1221,1220,1221,
 &end
#
#    0 AMB  20-2:180     79 THR  MG2         4.50    (#    180:20  Single Ambig)
 &rst
  ixpk= 180, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1235, 174,
 igr2=1260,1261,1262,
 &end
#
#   79 THR  HN           79 THR  MG2         4.50    (#    181:20  Unique    4.04, 4.72 A)
 &rst
  ixpk= 181, nxpk= 20, iat=1254,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1260,1261,1262,
 &end
#
#   39 ARG  HN           38 VAL  MGX         3.50    (#    182:20  Unique    2.26, 4.10 A)
 &rst
  ixpk= 182, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   26 SER  HN           38 VAL  MGX         3.50    (#    183:20  Unique    2.86, 4.47 A)
 &rst
  ixpk= 183, nxpk= 20, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   39 ARG  HN           38 VAL  MGY         3.50    (#    184:20  Unique    2.26, 4.10 A)
 &rst
  ixpk= 184, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   26 SER  HN           38 VAL  MGY         4.50    (#    185:20  Unique    2.86, 4.47 A)
 &rst
  ixpk= 185, nxpk= 20, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   41 VAL  HN            0 AMB  20-1:186    2.80    (#    186:20  Single Ambig)
 &rst
  ixpk= 186, nxpk= 20, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   55 GLU  HN           54 THR  MG2         4.50    (#    187:20  Unique    3.23, 4.08 A)
 &rst
  ixpk= 187, nxpk= 20, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 872, 873, 874,
 &end
#
#   12 PHE  HN           81 ALA  MB          4.50    (#    188:20  Unique    3.04, 4.44 A)
 &rst
  ixpk= 188, nxpk= 20, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1292,1293,1294,
 &end
#
#   76 MET  HN           75 ALA  MB          3.50    (#    189:20  Unique    3.38, 4.01 A)
 &rst
  ixpk= 189, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1190,1191,1192,
 &end
#
#   11 LEU  HN           10 ILE  MG2         3.50    (#    190:20  Unique    2.44, 3.39 A)
 &rst
  ixpk= 190, nxpk= 20, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 142, 143, 144,
 &end
#
#   78 ILE  HN           78 ILE  MD1         4.50    (#    191:20  Unique    4.38, 5.03 A)
 &rst
  ixpk= 191, nxpk= 20, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1248,1249,1250,
 &end
#
#   41 VAL  HN           40 LEU  MDY         3.50    (#    192:20  Unique    3.60, 4.93 A)
 &rst
  ixpk= 192, nxpk= 20, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   15 ASN  HN           14 THR  MG2         4.50    (#    193:20  Unique    3.77, 4.45 A)
 &rst
  ixpk= 193, nxpk= 20, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 219, 220, 221,
 &end
#
#   51 GLU  HN           50 VAL  MGY         3.50    (#    194:20  Unique    2.49, 4.07 A)
 &rst
  ixpk= 194, nxpk= 20, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   50 VAL  HN           50 VAL  MGX         2.80    (#    195:20  Unique    3.00, 4.27 A)
 &rst
  ixpk= 195, nxpk= 20, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   83 LYS  HN            0 AMB  20-1:196    4.50    (#    196:20  Single Ambig)
 &rst
  ixpk= 196, nxpk= 20, iat=1320,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1327,1328,1327,1328,
 &end
#
#    0 AMB  20-2:197      0 AMB  20-1:197    5.50    (#    197:20  Double Ambig)
 &rst
  ixpk= 197, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1320,  60,
 igr2=1305,1306,1305,1306,
 &end
#
#   49 PHE  HN           48 ALA  MB          3.50    (#    198:20  Unique    2.20, 3.13 A)
 &rst
  ixpk= 198, nxpk= 20, iat= 781,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 775, 776, 777,
 &end
#
#   53 THR  HN           53 THR  MG2         4.50    (#    199:20  Unique    4.21, 4.38 A)
 &rst
  ixpk= 199, nxpk= 20, iat= 852,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 858, 859, 860,
 &end
#
#   80 PHE  HN           79 THR  MG2         4.50    (#    200:20  Unique    2.36, 3.58 A)
 &rst
  ixpk= 200, nxpk= 20, iat=1268,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1260,1261,1262,
 &end
#
#   38 VAL  HN           38 VAL  MGX         3.50    (#    201:20  Unique    2.76, 4.15 A)
 &rst
  ixpk= 201, nxpk= 20, iat= 596,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   81 ALA  HN           81 ALA  MB          2.80    (#    202:20  Unique    2.48, 2.95 A)
 &rst
  ixpk= 202, nxpk= 20, iat=1288,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1292,1293,1294,
 &end
#
#   82 LYS  HN           81 ALA  MB          3.50    (#    203:20  Unique    2.34, 3.41 A)
 &rst
  ixpk= 203, nxpk= 20, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1292,1293,1294,
 &end
#
#   67 GLY  HN           75 ALA  MB          5.50    (#    204:20  Unique    3.68, 4.95 A)
 &rst
  ixpk= 204, nxpk= 20, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1190,1191,1192,
 &end
#
#   13 LEU  HN           13 LEU  MDY         4.50    (#    205:20  Unique    3.43, 4.76 A)
 &rst
  ixpk= 205, nxpk= 20, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   40 LEU  HN           40 LEU  MDX         3.50    (#    206:20  Unique    3.32, 4.62 A)
 &rst
  ixpk= 206, nxpk= 20, iat= 636,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   13 LEU  HN           13 LEU  MDX         4.50    (#    207:20  Unique    3.43, 4.76 A)
 &rst
  ixpk= 207, nxpk= 20, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   14 THR  HN           13 LEU  MDX         4.50    (#    208:20  Unique    4.35, 5.33 A)
 &rst
  ixpk= 208, nxpk= 20, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:209     11 LEU  MDY         4.50    (#    209:20  Single Ambig)
 &rst
  ixpk= 209, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1288,1268,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   15 ASN  HN           16 LEU  MDX         5.50    (#    210:20  Unique    5.07, 6.21 A)
 &rst
  ixpk= 210, nxpk= 20, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 250, 251, 252, 254, 255, 256,
 &end
#
#   49 PHE  HN           40 LEU  MDY         4.50    (#    211:20  Unique    3.62, 6.34 A)
 &rst
  ixpk= 211, nxpk= 20, iat= 781,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   40 LEU  HN           40 LEU  MDY         3.50    (#    212:20  Unique    3.32, 4.62 A)
 &rst
  ixpk= 212, nxpk= 20, iat= 636,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   49 PHE  HN           38 VAL  MGY         4.50    (#    213:20  Unique    3.34, 5.81 A)
 &rst
  ixpk= 213, nxpk= 20, iat= 781,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   38 VAL  HN           38 VAL  MGY         3.50    (#    214:20  Unique    2.76, 4.15 A)
 &rst
  ixpk= 214, nxpk= 20, iat= 596,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   49 PHE  HN            0 AMB  20-1:215    4.50    (#    215:20  Single Ambig)
 &rst
  ixpk= 215, nxpk= 20, iat= 781,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#    0 AMB  20-2:216     10 ILE  MG2         3.50    (#    216:20  Single Ambig)
 &rst
  ixpk= 216, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 801,1288,
 igr2= 142, 143, 144,
 &end
#
#   15 ASN  HN           47 ILE  MG2         4.50    (#    217:20  Unique    2.88, 4.01 A)
 &rst
  ixpk= 217, nxpk= 20, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 758, 759, 760,
 &end
#
#   14 THR  HN           14 THR  MG2         4.50    (#    218:20  Unique    3.31, 4.06 A)
 &rst
  ixpk= 218, nxpk= 20, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 219, 220, 221,
 &end
#
#   12 PHE  HN           11 LEU  MDY         4.50    (#    219:20  Unique    3.25, 5.13 A)
 &rst
  ixpk= 219, nxpk= 20, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   22 GLU  HN           40 LEU  MDY         5.50    (#    220:20  Unique    2.11, 4.04 A)
 &rst
  ixpk= 220, nxpk= 20, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#    0 AMB  20-2:221     78 ILE  MG2         4.50    (#    221:20  Single Ambig)
 &rst
  ixpk= 221, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 174,1235,
 igr2=1241,1242,1243,
 &end
#
#   79 THR  HN           78 ILE  MG2         3.50    (#    222:20  Unique    2.52, 3.20 A)
 &rst
  ixpk= 222, nxpk= 20, iat=1254,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1241,1242,1243,
 &end
#
#   36 LYS  HN           36 LYS  HB+         4.50    (#    224:20  Unique    2.55, 3.10 A)
 &rst
  ixpk= 224, nxpk= 20, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 563, 564,
 &end
#
#   36 LYS  HN           36 LYS  HB-         4.50    (#    225:20  Unique    2.55, 3.10 A)
 &rst
  ixpk= 225, nxpk= 20, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 563, 564,
 &end
#
#   70 ILE  HN           70 ILE  HG1+        4.50    (#    226:20  Unique    2.13, 2.92 A)
 &rst
  ixpk= 226, nxpk= 20, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1118,1119,
 &end
#
#   69 LYS  HN           69 LYS  HB-         4.50    (#    227:20  Unique    2.42, 3.05 A)
 &rst
  ixpk= 227, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1090,1091,
 &end
#
#   16 LEU  HN           16 LEU  HG          3.50    (#    228:20  Unique    2.18, 2.23 A)
 &rst
  ixpk= 228, nxpk= 20, iat= 241, 248, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   77 LYS  HN            0 AMB  20-1:229    4.50    (#    229:20  Single Ambig)
 &rst
  ixpk= 229, nxpk= 20, iat=1213,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1220,1221,1220,1221,
 &end
#
#   56 LEU  HN           56 LEU  MDX         4.50    (#    230:20  Unique    2.51, 3.93 A)
 &rst
  ixpk= 230, nxpk= 20, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   62 LYS  HN           11 LEU  MDX         4.50    (#    231:20  Unique    3.17, 4.68 A)
 &rst
  ixpk= 231, nxpk= 20, iat= 976,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   69 LYS  HN           69 LYS  HG+         4.50    (#    232:20  Unique    2.16, 3.13 A)
 &rst
  ixpk= 232, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1093,1094,
 &end
#
#   56 LEU  HN           56 LEU  MDY         4.50    (#    233:20  Unique    2.51, 3.93 A)
 &rst
  ixpk= 233, nxpk= 20, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   48 ALA  HN           48 ALA  MB          3.50    (#    234:20  Unique    2.91, 3.48 A)
 &rst
  ixpk= 234, nxpk= 20, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 775, 776, 777,
 &end
#
#    0 AMB  20-2:235     16 LEU  MDX         3.50    (#    235:20  Single Ambig)
 &rst
  ixpk= 235, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 241,1213,
 igr2= 250, 251, 252, 254, 255, 256,
 &end
#
#   77 LYS  HN           14 THR  MG2         5.50    (#    237:20  Unique    5.82, 6.38 A)
 &rst
  ixpk= 237, nxpk= 20, iat=1213,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 219, 220, 221,
 &end
#
#   54 THR  HN           53 THR  MG2         4.50    (#    238:20  Unique    3.24, 4.05 A)
 &rst
  ixpk= 238, nxpk= 20, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 858, 859, 860,
 &end
#
#    0 AMB  20-2:240      0 AMB  20-1:240    5.50    (#    240:20  Double Ambig)
 &rst
  ixpk= 240, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 447,1169,
 igr2= 602, 603, 604, 606, 607, 608,1161,1162,1163,
 &end
#
#   54 THR  HN           54 THR  MG2         3.50    (#    241:20  Unique    3.78, 4.35 A)
 &rst
  ixpk= 241, nxpk= 20, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 872, 873, 874,
 &end
#
#   56 LEU  HN           54 THR  MG2         4.50    (#    242:20  Unique    4.37, 4.91 A)
 &rst
  ixpk= 242, nxpk= 20, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 872, 873, 874,
 &end
#
#   44 ARG  HN           41 VAL  MGX         4.50    (#    243:20  Unique    2.70, 4.94 A)
 &rst
  ixpk= 243, nxpk= 20, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   65 LEU  HN           61 ALA  MB          4.50    (#    244:20  Unique    4.93, 5.56 A)
 &rst
  ixpk= 244, nxpk= 20, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 970, 971, 972,
 &end
#
#   62 LYS  HN           61 ALA  MB          3.50    (#    246:20  Unique    2.53, 3.40 A)
 &rst
  ixpk= 246, nxpk= 20, iat= 976,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 970, 971, 972,
 &end
#
#   75 ALA  HN           75 ALA  MB          2.80    (#    247:20  Unique    2.40, 2.91 A)
 &rst
  ixpk= 247, nxpk= 20, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1190,1191,1192,
 &end
#
#    0 AMB  20-2:248     75 ALA  MB          4.50    (#    248:20  Single Ambig)
 &rst
  ixpk= 248, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1108,1213,
 igr2=1190,1191,1192,
 &end
#
#   15 ASN  HD2+         75 ALA  MB          4.50    (#    249:20  Unique    3.01, 4.42 A)
 &rst
  ixpk= 249, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 236, 237,
 igr2=1190,1191,1192,
 &end
#
#   69 LYS  HN           75 ALA  MB          4.50    (#    250:20  Unique    5.04, 5.62 A)
 &rst
  ixpk= 250, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1190,1191,1192,
 &end
#
#   10 ILE  HN           10 ILE  MG2         4.50    (#    251:20  Unique    4.44, 4.81 A)
 &rst
  ixpk= 251, nxpk= 20, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 142, 143, 144,
 &end
#
#   48 ALA  HN           47 ILE  MG2         4.50    (#    252:20  Unique    4.16, 4.80 A)
 &rst
  ixpk= 252, nxpk= 20, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 758, 759, 760,
 &end
#
#   70 ILE  HN           70 ILE  MG2         4.50    (#    253:20  Unique    4.41, 4.55 A)
 &rst
  ixpk= 253, nxpk= 20, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1114,1115,1116,
 &end
#
#   71 THR  HN           70 ILE  MG2         3.50    (#    254:20  Unique    3.68, 4.39 A)
 &rst
  ixpk= 254, nxpk= 20, iat=1127,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1114,1115,1116,
 &end
#
#   70 ILE  HN           70 ILE  MD1         4.50    (#    255:20  Unique    3.58, 4.22 A)
 &rst
  ixpk= 255, nxpk= 20, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1121,1122,1123,
 &end
#
#   48 ALA  HN           47 ILE  MD1         4.50    (#    256:20  Unique    3.48, 5.13 A)
 &rst
  ixpk= 256, nxpk= 20, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 765, 766, 767,
 &end
#
#    0 AMB  20-2:257      0 AMB  20-1:257    4.50    (#    257:20  Double Ambig)
 &rst
  ixpk= 257, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 447, 493, 494,
 igr2= 432, 433, 432, 433,
 &end
#
#   10 ILE  HN           10 ILE  MD1         4.50    (#    258:20  Unique    3.48, 5.26 A)
 &rst
  ixpk= 258, nxpk= 20, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 149, 150, 151,
 &end
#
#   31 GLN  HE2+         28 LEU  MDY         4.50    (#    259:20  Unique    3.32, 5.32 A)
 &rst
  ixpk= 259, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 493, 494,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#   68 PHE  HN           65 LEU  MDY         5.50    (#    260:20  Unique    5.19, 6.52 A)
 &rst
  ixpk= 260, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   65 LEU  HN           65 LEU  MDY         4.50    (#    261:20  Unique    3.99, 4.79 A)
 &rst
  ixpk= 261, nxpk= 20, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   68 PHE  HN           75 ALA  MB          4.50    (#    264:20  Unique    4.16, 5.32 A)
 &rst
  ixpk= 264, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1190,1191,1192,
 &end
#
#   68 PHE  HN           77 LYS  HB-         7.00    (#    265:20  Unique    6.79, 7.55 A)
 &rst
  ixpk= 265, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1217,1218,
 &end
#
#   31 GLN  HN           31 GLN  HB+         4.50    (#    272:20  Unique    2.33, 2.96 A)
 &rst
  ixpk= 272, nxpk= 20, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 485, 486,
 &end
#
#    0 AMB  20-2:273      0 AMB  20-1:273    4.50    (#    273:20  Double Ambig)
 &rst
  ixpk= 273, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 114, 115,  72,  73,
 igr2=1330,1331,1330,1331,1308,1309,
 &end
#
#   31 GLN  HN           31 GLN  HB-         4.50    (#    274:20  Unique    2.33, 2.96 A)
 &rst
  ixpk= 274, nxpk= 20, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 485, 486,
 &end
#
#   28 LEU  HN           28 LEU  HG          3.50    (#    275:20  Unique    2.53, 2.59 A)
 &rst
  ixpk= 275, nxpk= 20, iat= 428, 435, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 ALA  HN           64 ALA  MB          2.80    (#    276:20  Unique    2.38, 2.82 A)
 &rst
  ixpk= 276, nxpk= 20, iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1017,1018,1019,
 &end
#
#   32 PHE  HZ           64 ALA  MB          2.80    (#    278:20  Unique    2.28, 2.95 A)
 &rst
  ixpk= 278, nxpk= 20, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1017,1018,1019,
 &end
#
#   32 PHE  HE           64 ALA  MB          3.50    (#    279:20  Unique    2.80, 4.09 A)
 &rst
  ixpk= 279, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 508, 512,
 igr2=1017,1018,1019,
 &end
#
#    8 ASN  HD2+         81 ALA  MB          3.50    (#    280:20  Unique    1.91, 3.88 A)
 &rst
  ixpk= 280, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 114, 115,
 igr2=1292,1293,1294,
 &end
#
#   49 PHE  HD           81 ALA  MB          2.80    (#    282:20  Unique    2.56, 5.47 A)
 &rst
  ixpk= 282, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 789, 797,
 igr2=1292,1293,1294,
 &end
#
#    0 AMB  20-2:283     81 ALA  MB          3.50    (#    283:20  Single Ambig)
 &rst
  ixpk= 283, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 114, 115, 791, 795,
 igr2=1292,1293,1294,
 &end
#
#   60 ALA  HN           60 ALA  MB          2.80    (#    284:20  Unique    2.54, 2.91 A)
 &rst
  ixpk= 284, nxpk= 20, iat= 956,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 960, 961, 962,
 &end
#
#   59 ASN  HD2-         60 ALA  MB          4.50    (#    285:20  Unique    3.53, 5.64 A)
 &rst
  ixpk= 285, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 951, 952,
 igr2= 960, 961, 962,
 &end
#
#   61 ALA  HN           60 ALA  MB          2.80    (#    286:20  Unique    2.64, 3.46 A)
 &rst
  ixpk= 286, nxpk= 20, iat= 966,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 960, 961, 962,
 &end
#
#   28 LEU  HN           28 LEU  HB-         3.50    (#    287:20  Unique    2.35, 3.01 A)
 &rst
  ixpk= 287, nxpk= 20, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 432, 433,
 &end
#
#   57 GLN  HN           56 LEU  HB+         4.50    (#    288:20  Unique    2.80, 3.25 A)
 &rst
  ixpk= 288, nxpk= 20, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 899, 900,
 &end
#
#   57 GLN  HN           56 LEU  HB-         4.50    (#    289:20  Unique    2.80, 3.25 A)
 &rst
  ixpk= 289, nxpk= 20, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 899, 900,
 &end
#
#   66 GLN  HE2-         66 GLN  HG+         4.50    (#    290:20  Unique    2.19, 3.20 A)
 &rst
  ixpk= 290, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1054,1055,
 igr2=1049,1050,
 &end
#
#   77 LYS  HN           77 LYS  HB+         4.50    (#    291:20  Unique    2.47, 2.92 A)
 &rst
  ixpk= 291, nxpk= 20, iat=1213,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1217,1218,
 &end
#
#   77 LYS  HN           77 LYS  HB-         4.50    (#    292:20  Unique    2.47, 2.92 A)
 &rst
  ixpk= 292, nxpk= 20, iat=1213,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1217,1218,
 &end
#
#   63 GLU  HN           63 GLU  HB-         3.50    (#    293:20  Unique    2.19, 3.03 A)
 &rst
  ixpk= 293, nxpk= 20, iat= 998,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1002,1003,
 &end
#
#   63 GLU  HN           63 GLU  HB+         3.50    (#    294:20  Unique    2.19, 3.03 A)
 &rst
  ixpk= 294, nxpk= 20, iat= 998,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1002,1003,
 &end
#
#   69 LYS  HN           69 LYS  HD+         3.50    (#    295:20  Unique    3.09, 3.88 A)
 &rst
  ixpk= 295, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1096,1097,
 &end
#
#   69 LYS  HN           69 LYS  HB+         3.50    (#    296:20  Unique    2.42, 3.05 A)
 &rst
  ixpk= 296, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1090,1091,
 &end
#
#   56 LEU  HN           56 LEU  HG          4.50    (#    297:20  Unique    2.29, 3.91 A)
 &rst
  ixpk= 297, nxpk= 20, iat= 895, 902, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 LYS  HN           69 LYS  HG-         4.50    (#    298:20  Unique    2.16, 3.13 A)
 &rst
  ixpk= 298, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1093,1094,
 &end
#
#   63 GLU  HN           64 ALA  MB          4.50    (#    299:20  Unique    4.93, 5.44 A)
 &rst
  ixpk= 299, nxpk= 20, iat= 998,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1017,1018,1019,
 &end
#
#   65 LEU  HN           64 ALA  MB          2.80    (#    300:20  Unique    2.66, 3.49 A)
 &rst
  ixpk= 300, nxpk= 20, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1017,1018,1019,
 &end
#
#    0 AMB  20-2:301     60 ALA  MB          4.50    (#    301:20  Single Ambig)
 &rst
  ixpk= 301, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 942, 998,
 igr2= 960, 961, 962,
 &end
#
#   59 ASN  HD2+         60 ALA  MB          4.50    (#    302:20  Unique    3.53, 5.64 A)
 &rst
  ixpk= 302, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 951, 952,
 igr2= 960, 961, 962,
 &end
#
#    0 AMB  20-2:303     28 LEU  HB-         4.50    (#    303:20  Single Ambig)
 &rst
  ixpk= 303, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 447, 493, 494,
 igr2= 432, 433,
 &end
#
#   48 ALA  HN           47 ILE  HB          4.50    (#    304:20  Unique    2.48, 2.60 A)
 &rst
  ixpk= 304, nxpk= 20, iat= 771, 756, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 LEU  HN           56 LEU  HB+         3.50    (#    305:20  Unique    2.28, 2.96 A)
 &rst
  ixpk= 305, nxpk= 20, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 899, 900,
 &end
#
#   56 LEU  HN           56 LEU  HB-         3.50    (#    306:20  Unique    2.28, 2.96 A)
 &rst
  ixpk= 306, nxpk= 20, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 899, 900,
 &end
#
#   10 ILE  HN           10 ILE  HB          3.50    (#    307:20  Unique    2.73, 2.89 A)
 &rst
  ixpk= 307, nxpk= 20, iat= 136, 140, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   71 THR  HN           70 ILE  HB          3.50    (#    308:20  Unique    2.50, 2.55 A)
 &rst
  ixpk= 308, nxpk= 20, iat=1127,1112, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   70 ILE  HN           70 ILE  HB          3.50    (#    309:20  Unique    2.42, 2.46 A)
 &rst
  ixpk= 309, nxpk= 20, iat=1108,1112, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 ALA  HN           63 GLU  HB-         4.50    (#    312:20  Unique    2.72, 3.30 A)
 &rst
  ixpk= 312, nxpk= 20, iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1002,1003,
 &end
#
#   64 ALA  HN           63 GLU  HB+         4.50    (#    313:20  Unique    2.72, 3.30 A)
 &rst
  ixpk= 313, nxpk= 20, iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1002,1003,
 &end
#
#   10 ILE  HN            0 AMB  20-1:314    3.50    (#    314:20  Single Ambig)
 &rst
  ixpk= 314, nxpk= 20, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 126, 127, 126, 127,
 &end
#
#    0 AMB  20-2:315      0 AMB  20-1:315    3.50    (#    315:20  Double Ambig)
 &rst
  ixpk= 315, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 131, 132, 131, 132,
 igr2= 126, 127, 126, 127,
 &end
#
#    2 GLN  HE2+          2 GLN  HG+         3.50    (#    316:20  Unique    2.23, 3.44 A)
 &rst
  ixpk= 316, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  26,  27,
 igr2=  21,  22,
 &end
#
#   27 MET  HN            0 AMB  20-1:317    3.50    (#    317:20  Single Ambig)
 &rst
  ixpk= 317, nxpk= 20, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 415, 416, 415, 416,
 &end
#
#   63 GLU  HN           63 GLU  HG+         3.50    (#    318:20  Unique    2.23, 2.98 A)
 &rst
  ixpk= 318, nxpk= 20, iat= 998,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1005,1006,
 &end
#
#   63 GLU  HN           63 GLU  HG-         3.50    (#    319:20  Unique    2.23, 2.98 A)
 &rst
  ixpk= 319, nxpk= 20, iat= 998,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1005,1006,
 &end
#
#   66 GLN  HE2-         66 GLN  HG-         4.50    (#    320:20  Unique    2.19, 3.20 A)
 &rst
  ixpk= 320, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1054,1055,
 igr2=1049,1050,
 &end
#
#    5 GLN  HE2+          5 GLN  HG+         3.50    (#    321:20  Unique    2.34, 3.38 A)
 &rst
  ixpk= 321, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  72,  73,
 igr2=  67,  68,
 &end
#
#   27 MET  HN            0 AMB  20-1:322    3.50    (#    322:20  Single Ambig)
 &rst
  ixpk= 322, nxpk= 20, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 418, 419, 418, 419,
 &end
#
#    0 AMB  20-2:325      8 ASN  HB-         4.50    (#    325:20  Single Ambig)
 &rst
  ixpk= 325, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 114, 115,1276,1284,
 igr2= 109, 110,
 &end
#
#   59 ASN  HN            0 AMB  20-1:327    3.50    (#    327:20  Single Ambig)
 &rst
  ixpk= 327, nxpk= 20, iat= 942,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 946, 947, 946, 947,
 &end
#
#    0 AMB  20-2:328      0 AMB  20-1:328    3.50    (#    328:20  Double Ambig)
 &rst
  ixpk= 328, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 951, 952, 951, 952,
 igr2= 946, 947, 946, 947,
 &end
#
#    0 AMB  20-2:329     80 PHE  HB-         4.50    (#    329:20  Single Ambig)
 &rst
  ixpk= 329, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1276,1284, 114, 115,
 igr2=1272,1273,
 &end
#
#   35 PHE  HN           35 PHE  HB-         4.50    (#    330:20  Unique    2.03, 2.53 A)
 &rst
  ixpk= 330, nxpk= 20, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 543, 544,
 &end
#
#   77 LYS  HN           15 ASN  HB-         4.50    (#    331:20  Unique    3.04, 3.86 A)
 &rst
  ixpk= 331, nxpk= 20, iat=1213,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 231, 232,
 &end
#
#   15 ASN  HD2+         15 ASN  HB-         4.50    (#    332:20  Unique    2.21, 3.26 A)
 &rst
  ixpk= 332, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 236, 237,
 igr2= 231, 232,
 &end
#
#   43 ASN  HD2+         43 ASN  HB-         3.50    (#    333:20  Unique    2.19, 3.32 A)
 &rst
  ixpk= 333, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 694, 695,
 igr2= 689, 690,
 &end
#
#    5 GLN  HN            5 GLN  HG+         4.50    (#    334:20  Unique    3.30, 4.09 A)
 &rst
  ixpk= 334, nxpk= 20, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  67,  68,
 &end
#
#   23 MET  HN           23 MET  HG+         4.50    (#    335:20  Unique    2.23, 3.70 A)
 &rst
  ixpk= 335, nxpk= 20, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 354, 355,
 &end
#
#   24 MET  HN           24 MET  HG-         3.50    (#    336:20  Unique    2.18, 2.95 A)
 &rst
  ixpk= 336, nxpk= 20, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 371, 372,
 &end
#
#   24 MET  HN           24 MET  HG+         3.50    (#    337:20  Unique    2.18, 2.95 A)
 &rst
  ixpk= 337, nxpk= 20, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 371, 372,
 &end
#
#   68 PHE  HN           68 PHE  HB-         3.50    (#    338:20  Unique    2.37, 2.49 A)
 &rst
  ixpk= 338, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1070,1071,
 &end
#
#   30 ASN  HN           30 ASN  HB+         3.50    (#    339:20  Unique    2.18, 2.59 A)
 &rst
  ixpk= 339, nxpk= 20, iat= 467,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 471, 472,
 &end
#
#    5 GLN  HE2-          5 GLN  HG+         4.50    (#    340:20  Unique    2.34, 3.38 A)
 &rst
  ixpk= 340, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  72,  73,
 igr2=  67,  68,
 &end
#
#   28 LEU  HN            0 AMB  20-1:341    3.50    (#    341:20  Single Ambig)
 &rst
  ixpk= 341, nxpk= 20, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 418, 419, 418, 419,
 &end
#
#   25 LEU  HN            0 AMB  20-1:342    4.50    (#    342:20  Single Ambig)
 &rst
  ixpk= 342, nxpk= 20, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 371, 372, 354, 355,
 &end
#
#   25 LEU  HN           24 MET  HG+         4.50    (#    343:20  Unique    3.96, 4.48 A)
 &rst
  ixpk= 343, nxpk= 20, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 371, 372,
 &end
#
#   21 ASN  HN           24 MET  HG+         4.50    (#    344:20  Unique    2.44, 3.21 A)
 &rst
  ixpk= 344, nxpk= 20, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 371, 372,
 &end
#
#   21 ASN  HN           24 MET  HG-         4.50    (#    345:20  Unique    2.44, 3.21 A)
 &rst
  ixpk= 345, nxpk= 20, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 371, 372,
 &end
#
#   66 GLN  HN           66 GLN  HB+         4.50    (#    346:20  Unique    2.15, 2.84 A)
 &rst
  ixpk= 346, nxpk= 20, iat=1042,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1046,1047,
 &end
#
#    0 AMB  20-2:347     61 ALA  HA          4.50    (#    347:20  Single Ambig)
 &rst
  ixpk= 347, nxpk= 20, iat=  -1, 968, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1013, 506, 514,
 &end
#
#   32 PHE  HZ           61 ALA  HA          4.50    (#    348:20  Unique    2.76, 3.00 A)
 &rst
  ixpk= 348, nxpk= 20, iat= 510, 968, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 PHE  HE           61 ALA  HA          4.50    (#    349:20  Unique    3.03, 3.45 A)
 &rst
  ixpk= 349, nxpk= 20, iat=  -1, 968, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 508, 512,
 &end
#
#   61 ALA  HN           61 ALA  HA          3.50    (#    350:20  Unique    2.85, 2.86 A)
 &rst
  ixpk= 350, nxpk= 20, iat= 966, 968, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 ASN  HD2-         15 ASN  HB-         4.50    (#    351:20  Unique    2.21, 3.26 A)
 &rst
  ixpk= 351, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 236, 237,
 igr2= 231, 232,
 &end
#
#   30 ASN  HD2-         30 ASN  HB+         4.50    (#    352:20  Unique    2.24, 3.33 A)
 &rst
  ixpk= 352, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 476, 477,
 igr2= 471, 472,
 &end
#
#   65 LEU  HN           61 ALA  HA          5.50    (#    353:20  Unique    3.96, 4.02 A)
 &rst
  ixpk= 353, nxpk= 20, iat=1023, 968, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 LYS  HN           61 ALA  HA          4.50    (#    354:20  Unique    3.57, 3.59 A)
 &rst
  ixpk= 354, nxpk= 20, iat= 976, 968, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 LYS  HN            0 AMB  20-1:355    5.50    (#    355:20  Single Ambig)
 &rst
  ixpk= 355, nxpk= 20, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 572, 573, 572, 573,
 &end
#
#   66 GLN  HN           66 GLN  HG-         5.50    (#    356:20  Unique    2.78, 3.61 A)
 &rst
  ixpk= 356, nxpk= 20, iat=1042,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1049,1050,
 &end
#
#   21 ASN  HN           24 MET  HB+         4.50    (#    358:20  Unique    2.21, 3.16 A)
 &rst
  ixpk= 358, nxpk= 20, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 368, 369,
 &end
#
#   25 LEU  HN           24 MET  HB+         4.50    (#    360:20  Unique    2.37, 2.97 A)
 &rst
  ixpk= 360, nxpk= 20, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 368, 369,
 &end
#
#   57 GLN  HE2+         33 PRO  HB+         4.50    (#    361:20  Unique    4.17, 6.06 A)
 &rst
  ixpk= 361, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 926, 927,
 igr2= 525, 526,
 &end
#
#   80 PHE  HD           62 LYS  HE+         5.50    (#    362:20  Unique    3.20, 5.87 A)
 &rst
  ixpk= 362, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1276,1284,
 igr2= 989, 990,
 &end
#
#   80 PHE  HD           62 LYS  HE-         5.50    (#    363:20  Unique    3.20, 5.87 A)
 &rst
  ixpk= 363, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1276,1284,
 igr2= 989, 990,
 &end
#
#   30 ASN  HD2-         30 ASN  HB-         3.50    (#    365:20  Unique    2.24, 3.33 A)
 &rst
  ixpk= 365, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 476, 477,
 igr2= 471, 472,
 &end
#
#   64 ALA  HN           63 GLU  HG+         4.50    (#    367:20  Unique    2.81, 4.73 A)
 &rst
  ixpk= 367, nxpk= 20, iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1005,1006,
 &end
#
#   25 LEU  HN            0 AMB  20-1:368    5.50    (#    368:20  Single Ambig)
 &rst
  ixpk= 368, nxpk= 20, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 339, 340, 339, 340,
 &end
#
#    2 GLN  HE2-          2 GLN  HG+         3.50    (#    369:20  Unique    2.23, 3.44 A)
 &rst
  ixpk= 369, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  26,  27,
 igr2=  21,  22,
 &end
#
#    5 GLN  HE2-          5 GLN  HG-         5.50    (#    370:20  Unique    2.34, 3.38 A)
 &rst
  ixpk= 370, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  72,  73,
 igr2=  67,  68,
 &end
#
#   28 LEU  HN            0 AMB  20-1:371    4.50    (#    371:20  Single Ambig)
 &rst
  ixpk= 371, nxpk= 20, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 415, 416, 415, 416,
 &end
#
#   59 ASN  HD2-         63 GLU  HG+         4.50    (#    372:20  Unique    3.04, 4.31 A)
 &rst
  ixpk= 372, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 951, 952,
 igr2=1005,1006,
 &end
#
#   59 ASN  HD2-         63 GLU  HG-         4.50    (#    373:20  Unique    3.04, 4.31 A)
 &rst
  ixpk= 373, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 951, 952,
 igr2=1005,1006,
 &end
#
#   30 ASN  HD2+         30 ASN  HB-         4.50    (#    375:20  Unique    2.24, 3.33 A)
 &rst
  ixpk= 375, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 476, 477,
 igr2= 471, 472,
 &end
#
#   12 PHE  HD           12 PHE  HB-         4.50    (#    376:20  Unique    2.36, 3.10 A)
 &rst
  ixpk= 376, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 182, 190,
 igr2= 178, 179,
 &end
#
#   30 ASN  HD2+         30 ASN  HB+         4.50    (#    377:20  Unique    2.24, 3.33 A)
 &rst
  ixpk= 377, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 476, 477,
 igr2= 471, 472,
 &end
#
#    0 AMB  20-2:382      0 AMB  20-1:382    5.50    (#    382:20  Double Ambig)
 &rst
  ixpk= 382, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
 igr1=  72,  73, 114, 115,
 igr2=1311,1312,1311,1312,1333,1334,1333,1334,
 &end
#
#   37 GLU  HN            0 AMB  20-1:383    4.50    (#    383:20  Single Ambig)
 &rst
  ixpk= 383, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 572, 573, 572, 573,
 &end
#
#   21 ASN  HD2-         21 ASN  HB-         4.50    (#    384:20  Unique    2.24, 3.30 A)
 &rst
  ixpk= 384, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 327, 328,
 igr2= 322, 323,
 &end
#
#   43 ASN  HD2-         43 ASN  HB-         4.50    (#    385:20  Unique    2.19, 3.32 A)
 &rst
  ixpk= 385, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 694, 695,
 igr2= 689, 690,
 &end
#
#   21 ASN  HD2-         21 ASN  HB+         4.50    (#    389:20  Unique    2.24, 3.30 A)
 &rst
  ixpk= 389, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 327, 328,
 igr2= 322, 323,
 &end
#
#   68 PHE  HD           68 PHE  HB+         4.50    (#    390:20  Unique    2.41, 3.08 A)
 &rst
  ixpk= 390, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1074,1082,
 igr2=1070,1071,
 &end
#
#   39 ARG  HE           39 ARG  HD+         4.50    (#    391:20  Unique    2.24, 2.65 A)
 &rst
  ixpk= 391, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 622, 623,
 &end
#
#   60 ALA  HN            0 AMB  20-1:392    3.50    (#    392:20  Single Ambig)
 &rst
  ixpk= 392, nxpk= 20, iat= 956,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 946, 947, 946, 947,
 &end
#
#   60 ALA  HN            0 AMB  20-1:393    4.50    (#    393:20  Single Ambig)
 &rst
  ixpk= 393, nxpk= 20, iat= 956,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 946, 947, 946, 947,
 &end
#
#   29 PHE  HN           29 PHE  HB+         4.50    (#    394:20  Unique    2.35, 3.00 A)
 &rst
  ixpk= 394, nxpk= 20, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 451, 452,
 &end
#
#   29 PHE  HD           29 PHE  HB+         4.50    (#    395:20  Unique    2.31, 3.08 A)
 &rst
  ixpk= 395, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 455, 463,
 igr2= 451, 452,
 &end
#
#   44 ARG  HN            0 AMB  20-1:396    5.50    (#    396:20  Single Ambig)
 &rst
  ixpk= 396, nxpk= 20, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 689, 690, 689, 690,
 &end
#
#   24 MET  HN           24 MET  HB+         3.50    (#    398:20  Unique    2.47, 3.11 A)
 &rst
  ixpk= 398, nxpk= 20, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 368, 369,
 &end
#
#    5 GLN  HN            5 GLN  HG-         4.50    (#    399:20  Unique    3.30, 4.09 A)
 &rst
  ixpk= 399, nxpk= 20, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  67,  68,
 &end
#
#   43 ASN  HN           42 PRO  HB+         4.50    (#    400:20  Unique    3.10, 4.26 A)
 &rst
  ixpk= 400, nxpk= 20, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 678, 679,
 &end
#
#   23 MET  HN           23 MET  HB+         3.50    (#    401:20  Unique    2.40, 2.80 A)
 &rst
  ixpk= 401, nxpk= 20, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 351, 352,
 &end
#
#    0 AMB  20-2:402      0 AMB  20-1:402    4.50    (#    402:20  Double Ambig)
 &rst
  ixpk= 402, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=  14, 347,  45,
 igr2=  18,  19, 336, 337,  18,  19,
 &end
#
#    5 GLN  HN            5 GLN  HB+         4.50    (#    403:20  Unique    2.44, 3.31 A)
 &rst
  ixpk= 403, nxpk= 20, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  64,  65,
 &end
#
#   30 ASN  HN           30 ASN  HB-         3.50    (#    404:20  Unique    2.18, 2.59 A)
 &rst
  ixpk= 404, nxpk= 20, iat= 467,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 471, 472,
 &end
#
#   19 GLU  HN            0 AMB  20-1:406    4.50    (#    406:20  Single Ambig)
 &rst
  ixpk= 406, nxpk= 20, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 296, 297, 296, 297,
 &end
#
#    0 AMB  20-2:407      0 AMB  20-1:407    4.50    (#    407:20  Double Ambig)
 &rst
  ixpk= 407, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 636, 596,
 igr2= 339, 340, 339, 340, 339, 340,
 &end
#
#   23 MET  HN            0 AMB  20-1:408    4.50    (#    408:20  Single Ambig)
 &rst
  ixpk= 408, nxpk= 20, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 339, 340, 339, 340,
 &end
#
#   38 VAL  HN           37 GLU  HB+         3.50    (#    410:20  Unique    2.40, 3.64 A)
 &rst
  ixpk= 410, nxpk= 20, iat= 596,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 585, 586,
 &end
#
#   18 GLU  HN           17 PRO  HB+         4.50    (#    411:20  Unique    3.11, 3.55 A)
 &rst
  ixpk= 411, nxpk= 20, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 267, 268,
 &end
#
#    4 GLU  HN            4 GLU  HB-         4.50    (#    412:20  Unique    2.24, 3.21 A)
 &rst
  ixpk= 412, nxpk= 20, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  49,  50,
 &end
#
#   19 GLU  HN           19 GLU  HB-         4.50    (#    413:20  Unique    2.40, 3.00 A)
 &rst
  ixpk= 413, nxpk= 20, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 293, 294,
 &end
#
#   50 VAL  HN           50 VAL  HB          4.50    (#    415:20  Unique    2.67, 2.72 A)
 &rst
  ixpk= 415, nxpk= 20, iat= 801, 805, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 ARG  HE           44 ARG  HB-         5.50    (#    416:20  Unique    1.96, 2.87 A)
 &rst
  ixpk= 416, nxpk= 20, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 703, 704,
 &end
#
#   43 ASN  HN           42 PRO  HB-         5.50    (#    417:20  Unique    3.10, 4.26 A)
 &rst
  ixpk= 417, nxpk= 20, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 678, 679,
 &end
#
#   18 GLU  HN            0 AMB  20-1:418    2.80    (#    418:20  Single Ambig)
 &rst
  ixpk= 418, nxpk= 20, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 278, 279, 278, 279,
 &end
#
#   19 GLU  HN            0 AMB  20-1:419    3.50    (#    419:20  Single Ambig)
 &rst
  ixpk= 419, nxpk= 20, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 278, 279, 278, 279,
 &end
#
#   13 LEU  HN           13 LEU  HG          4.50    (#    420:20  Unique    4.50, 4.52 A)
 &rst
  ixpk= 420, nxpk= 20, iat= 194, 201, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 ARG  HE           44 ARG  HD+         5.50    (#    421:20  Unique    2.29, 2.80 A)
 &rst
  ixpk= 421, nxpk= 20, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 709, 710,
 &end
#
#   44 ARG  HE           44 ARG  HD-         5.50    (#    422:20  Unique    2.29, 2.80 A)
 &rst
  ixpk= 422, nxpk= 20, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 709, 710,
 &end
#
#   80 PHE  HN           80 PHE  HB+         4.50    (#    423:20  Unique    2.26, 2.97 A)
 &rst
  ixpk= 423, nxpk= 20, iat=1268,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1272,1273,
 &end
#
#   11 LEU  HN           50 VAL  MGX         5.50    (#    424:20  Unique    4.38, 5.47 A)
 &rst
  ixpk= 424, nxpk= 20, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   39 ARG  HN           50 VAL  MGX         4.50    (#    425:20  Unique    4.00, 5.58 A)
 &rst
  ixpk= 425, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   37 GLU  HN           36 LYS  HB-         4.50    (#    426:20  Unique    2.42, 3.14 A)
 &rst
  ixpk= 426, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 563, 564,
 &end
#
#   25 LEU  HN           25 LEU  HG          4.50    (#    427:20  Unique    2.35, 2.41 A)
 &rst
  ixpk= 427, nxpk= 20, iat= 381, 388, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 PHE  HD           65 LEU  MDX         5.50    (#    428:20  Unique    3.05, 5.83 A)
 &rst
  ixpk= 428, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 455, 463,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#    0 AMB  20-2:429     65 LEU  MDX         4.50    (#    429:20  Single Ambig)
 &rst
  ixpk= 429, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 506, 514,1042,1013,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   32 PHE  HZ           65 LEU  MDX         3.50    (#    430:20  Unique    2.89, 3.86 A)
 &rst
  ixpk= 430, nxpk= 20, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#    0 AMB  20-2:431     65 LEU  MDX         3.50    (#    431:20  Single Ambig)
 &rst
  ixpk= 431, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 508, 512,1074,1082,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   31 GLN  HN           65 LEU  MDX         5.50    (#    432:20  Unique    5.04, 6.60 A)
 &rst
  ixpk= 432, nxpk= 20, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   57 GLN  HN           56 LEU  MDX         5.50    (#    438:20  Unique    4.67, 5.61 A)
 &rst
  ixpk= 438, nxpk= 20, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#    8 ASN  HD2-         11 LEU  MDX         4.50    (#    439:20  Unique    4.05, 7.76 A)
 &rst
  ixpk= 439, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 114, 115,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   80 PHE  HD           11 LEU  MDX         5.50    (#    440:20  Unique    2.21, 5.88 A)
 &rst
  ixpk= 440, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1276,1284,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   68 PHE  HE           28 LEU  MDY         3.50    (#    441:20  Unique    2.55, 4.47 A)
 &rst
  ixpk= 441, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1076,1080,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#    0 AMB  20-2:442     28 LEU  MDY         4.50    (#    442:20  Single Ambig)
 &rst
  ixpk= 442, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1074,1082, 428,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#   31 GLN  HE2-         28 LEU  MDY         5.50    (#    443:20  Unique    3.32, 5.32 A)
 &rst
  ixpk= 443, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 493, 494,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#   57 GLN  HN           56 LEU  MDY         5.50    (#    444:20  Unique    4.67, 5.61 A)
 &rst
  ixpk= 444, nxpk= 20, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   80 PHE  HD           11 LEU  MDY         3.50    (#    445:20  Unique    2.21, 5.88 A)
 &rst
  ixpk= 445, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1276,1284,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   29 PHE  HE           11 LEU  MDY         5.50    (#    446:20  Unique    2.51, 6.51 A)
 &rst
  ixpk= 446, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 457, 461,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   68 PHE  HE           65 LEU  MDY         3.50    (#    447:20  Unique    4.15, 6.09 A)
 &rst
  ixpk= 447, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1076,1080,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#    0 AMB  20-2:448     65 LEU  MDY         2.80    (#    448:20  Single Ambig)
 &rst
  ixpk= 448, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 508, 512,1074,1082,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   31 GLN  HE2-         65 LEU  MDY         3.50    (#    449:20  Unique    2.19, 3.97 A)
 &rst
  ixpk= 449, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 493, 494,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#    0 AMB  20-2:450     20 THR  MG2         3.50    (#    450:20  Single Ambig)
 &rst
  ixpk= 450, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 381, 304,
 igr2= 310, 311, 312,
 &end
#
#   21 ASN  HN           20 THR  MG2         2.80    (#    451:20  Unique    2.21, 2.83 A)
 &rst
  ixpk= 451, nxpk= 20, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 310, 311, 312,
 &end
#
#   49 PHE  HE           14 THR  MG2         7.00    (#    452:20  Unique    6.84, 7.99 A)
 &rst
  ixpk= 452, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 791, 795,
 igr2= 219, 220, 221,
 &end
#
#   12 PHE  HZ           14 THR  MG2         3.50    (#    453:20  Unique    3.10, 3.76 A)
 &rst
  ixpk= 453, nxpk= 20, iat= 186,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 219, 220, 221,
 &end
#
#   12 PHE  HD           14 THR  MG2         4.50    (#    454:20  Unique    3.22, 4.68 A)
 &rst
  ixpk= 454, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 182, 190,
 igr2= 219, 220, 221,
 &end
#
#    0 AMB  20-2:455     65 LEU  MDY         4.50    (#    455:20  Single Ambig)
 &rst
  ixpk= 455, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 506, 514,1042,1013,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   29 PHE  HD           25 LEU  MDX         5.50    (#    456:20  Unique    3.48, 6.81 A)
 &rst
  ixpk= 456, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 455, 463,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#   25 LEU  HN           25 LEU  MDX         3.50    (#    457:20  Unique    3.03, 4.32 A)
 &rst
  ixpk= 457, nxpk= 20, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#   28 LEU  HN           25 LEU  MDX         4.50    (#    458:20  Unique    4.86, 6.65 A)
 &rst
  ixpk= 458, nxpk= 20, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#   21 ASN  HN           25 LEU  MDX         5.50    (#    459:20  Unique    4.65, 5.78 A)
 &rst
  ixpk= 459, nxpk= 20, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#   35 PHE  HE           50 VAL  MGY         3.50    (#    460:20  Unique    2.24, 6.07 A)
 &rst
  ixpk= 460, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 549, 553,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   37 GLU  HN           50 VAL  MGY         4.50    (#    461:20  Unique    3.89, 5.72 A)
 &rst
  ixpk= 461, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   29 PHE  HD           50 VAL  MGY         3.50    (#    462:20  Unique    2.70, 4.90 A)
 &rst
  ixpk= 462, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 455, 463,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   52 PHE  HD           50 VAL  MGY         2.80    (#    463:20  Unique    2.55, 6.66 A)
 &rst
  ixpk= 463, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 840, 848,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   29 PHE  HZ           50 VAL  MGY         3.50    (#    464:20  Unique    2.96, 5.19 A)
 &rst
  ixpk= 464, nxpk= 20, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   35 PHE  HD           50 VAL  MGY         4.50    (#    465:20  Unique    2.65, 6.23 A)
 &rst
  ixpk= 465, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 547, 555,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#    0 AMB  20-2:466     38 VAL  MGX         4.50    (#    466:20  Single Ambig)
 &rst
  ixpk= 466, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 457, 461, 381,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   35 PHE  HE           38 VAL  MGX         2.80    (#    467:20  Unique    2.20, 5.55 A)
 &rst
  ixpk= 467, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 549, 553,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   35 PHE  HZ           38 VAL  MGX         3.50    (#    468:20  Unique    2.27, 4.64 A)
 &rst
  ixpk= 468, nxpk= 20, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  20-2:469     38 VAL  MGY         4.50    (#    469:20  Single Ambig)
 &rst
  ixpk= 469, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 457, 461, 381,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   35 PHE  HE           38 VAL  MGY         4.50    (#    470:20  Unique    2.20, 5.55 A)
 &rst
  ixpk= 470, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 549, 553,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   35 PHE  HZ           38 VAL  MGY         4.50    (#    471:20  Unique    2.27, 4.64 A)
 &rst
  ixpk= 471, nxpk= 20, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  20-2:472      0 AMB  20-1:472    4.50    (#    472:20  Double Ambig)
 &rst
  ixpk= 472, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
 igr1=1155, 455, 463,
 igr2=1161,1162,1163, 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  20-2:474      0 AMB  20-1:474    3.50    (#    474:20  Double Ambig)
 &rst
  ixpk= 474, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 789, 797, 184, 188,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   49 PHE  HE            0 AMB  20-1:475    3.50    (#    475:20  Single Ambig)
 &rst
  ixpk= 475, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 791, 795,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   47 ILE  HN            0 AMB  20-1:476    5.50    (#    476:20  Single Ambig)
 &rst
  ixpk= 476, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   57 GLN  HN           54 THR  MG2         5.50    (#    477:20  Unique    5.20, 5.45 A)
 &rst
  ixpk= 477, nxpk= 20, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 872, 873, 874,
 &end
#
#   57 GLN  HE2+         54 THR  MG2         4.50    (#    478:20  Unique    3.89, 5.28 A)
 &rst
  ixpk= 478, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 926, 927,
 igr2= 872, 873, 874,
 &end
#
#   57 GLN  HE2-         54 THR  MG2         4.50    (#    479:20  Unique    3.89, 5.28 A)
 &rst
  ixpk= 479, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 926, 927,
 igr2= 872, 873, 874,
 &end
#
#   29 PHE  HD           50 VAL  MGX         4.50    (#    480:20  Unique    2.70, 4.90 A)
 &rst
  ixpk= 480, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 455, 463,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   29 PHE  HE           50 VAL  MGX         4.50    (#    481:20  Unique    2.62, 5.09 A)
 &rst
  ixpk= 481, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 457, 461,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   29 PHE  HD           61 ALA  MB          4.50    (#    483:20  Unique    2.29, 5.17 A)
 &rst
  ixpk= 483, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 455, 463,
 igr2= 970, 971, 972,
 &end
#
#   32 PHE  HD           61 ALA  MB          4.50    (#    484:20  Unique    2.74, 4.42 A)
 &rst
  ixpk= 484, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 506, 514,
 igr2= 970, 971, 972,
 &end
#
#   32 PHE  HE           61 ALA  MB          4.50    (#    485:20  Unique    2.72, 4.50 A)
 &rst
  ixpk= 485, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 508, 512,
 igr2= 970, 971, 972,
 &end
#
#   32 PHE  HZ           61 ALA  MB          5.50    (#    486:20  Unique    3.70, 4.65 A)
 &rst
  ixpk= 486, nxpk= 20, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 970, 971, 972,
 &end
#
#   61 ALA  HN           61 ALA  MB          2.80    (#    487:20  Unique    2.48, 2.89 A)
 &rst
  ixpk= 487, nxpk= 20, iat= 966,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 970, 971, 972,
 &end
#
#   15 ASN  HD2-         75 ALA  MB          4.50    (#    488:20  Unique    3.01, 4.42 A)
 &rst
  ixpk= 488, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 236, 237,
 igr2=1190,1191,1192,
 &end
#
#   49 PHE  HD           10 ILE  MG2         2.80    (#    490:20  Unique    2.53, 5.28 A)
 &rst
  ixpk= 490, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 789, 797,
 igr2= 142, 143, 144,
 &end
#
#    0 AMB  20-2:491     10 ILE  MG2         3.50    (#    491:20  Single Ambig)
 &rst
  ixpk= 491, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 114, 115, 791, 795,
 igr2= 142, 143, 144,
 &end
#
#   66 GLN  HN           78 ILE  MD1         4.50    (#    493:20  Unique    2.83, 3.76 A)
 &rst
  ixpk= 493, nxpk= 20, iat=1042,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1248,1249,1250,
 &end
#
#   32 PHE  HZ           78 ILE  MD1         7.00    (#    494:20  Unique    6.43, 6.92 A)
 &rst
  ixpk= 494, nxpk= 20, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1248,1249,1250,
 &end
#
#   32 PHE  HE           78 ILE  MD1         5.50    (#    495:20  Unique    5.70, 7.69 A)
 &rst
  ixpk= 495, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 508, 512,
 igr2=1248,1249,1250,
 &end
#
#   12 PHE  HE           47 ILE  MD1         4.50    (#    497:20  Unique    2.33, 5.77 A)
 &rst
  ixpk= 497, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 184, 188,
 igr2= 765, 766, 767,
 &end
#
#   49 PHE  HE           47 ILE  MD1         4.50    (#    498:20  Unique    3.98, 7.28 A)
 &rst
  ixpk= 498, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 791, 795,
 igr2= 765, 766, 767,
 &end
#
#   12 PHE  HZ           47 ILE  MD1         5.50    (#    499:20  Unique    2.63, 4.73 A)
 &rst
  ixpk= 499, nxpk= 20, iat= 186,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 765, 766, 767,
 &end
#
#   47 ILE  HN           47 ILE  MD1         3.50    (#    500:20  Unique    2.11, 3.46 A)
 &rst
  ixpk= 500, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 765, 766, 767,
 &end
#
#   28 LEU  HN           28 LEU  HB+         3.50    (#    501:20  Unique    2.35, 3.01 A)
 &rst
  ixpk= 501, nxpk= 20, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 432, 433,
 &end
#
#    8 ASN  HD2-         10 ILE  MD1         5.50    (#    502:20  Unique    2.92, 5.14 A)
 &rst
  ixpk= 502, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 114, 115,
 igr2= 149, 150, 151,
 &end
#
#   65 LEU  HN           65 LEU  MDX         4.50    (#    503:20  Unique    3.99, 4.79 A)
 &rst
  ixpk= 503, nxpk= 20, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   37 GLU  HN           37 GLU  HG-         4.50    (#    504:20  Unique    3.56, 4.75 A)
 &rst
  ixpk= 504, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 588, 589,
 &end
#
#   37 GLU  HN           36 LYS  HB+         4.50    (#    505:20  Unique    2.42, 3.14 A)
 &rst
  ixpk= 505, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 563, 564,
 &end
#
#    8 ASN  HN            7 PRO  HA          3.50    (#    506:20  Unique    2.20, 2.24 A)
 &rst
  ixpk= 506, nxpk= 20, iat= 105, 101, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 THR  HG1          54 THR  MG2         4.50    (#    507:20  Unique    2.27, 2.97 A)
 &rst
  ixpk= 507, nxpk= 20, iat= 876,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 872, 873, 874,
 &end
#
#   49 PHE  HA           10 ILE  MG2         4.50    (#    508:20  Unique    4.49, 5.40 A)
 &rst
  ixpk= 508, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 142, 143, 144,
 &end
#
#   47 ILE  HA           47 ILE  HB          4.50    (#    509:20  Unique    2.30, 2.36 A)
 &rst
  ixpk= 509, nxpk= 20, iat= 754, 756, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:510      0 AMB  20-1:510    5.50    (#    510:20  Double Ambig)
 &rst
  ixpk= 510, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1088,1129,
 igr2=1090,1091,1118,1119,
 &end
#
#   39 ARG  HA           39 ARG  HG-         4.50    (#    512:20  Unique    2.44, 2.99 A)
 &rst
  ixpk= 512, nxpk= 20, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 619, 620,
 &end
#
#   47 ILE  HA           16 LEU  HG          4.50    (#    513:20  Unique    2.74, 2.86 A)
 &rst
  ixpk= 513, nxpk= 20, iat= 754, 248, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 LEU  HA           13 LEU  MDY         3.50    (#    514:20  Unique    2.31, 3.93 A)
 &rst
  ixpk= 514, nxpk= 20, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:515     40 LEU  MDX         5.50    (#    515:20  Single Ambig)
 &rst
  ixpk= 515, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 614, 598,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   40 LEU  HA           40 LEU  MDX         3.50    (#    516:20  Unique    2.25, 3.80 A)
 &rst
  ixpk= 516, nxpk= 20, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   13 LEU  HA           13 LEU  MDX         2.80    (#    517:20  Unique    2.31, 3.93 A)
 &rst
  ixpk= 517, nxpk= 20, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   78 ILE  HA           13 LEU  MDX         3.50    (#    518:20  Unique    2.62, 4.78 A)
 &rst
  ixpk= 518, nxpk= 20, iat=1237,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   77 LYS  HA            0 AMB  20-1:519    2.80    (#    519:20  Single Ambig)
 &rst
  ixpk= 519, nxpk= 20, iat=1215,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1220,1221,1220,1221,
 &end
#
#    0 AMB  20-2:520     11 LEU  MDX         4.50    (#    520:20  Single Ambig)
 &rst
  ixpk= 520, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 157, 938,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#    0 AMB  20-2:521      0 AMB  20-1:521    3.50    (#    521:20  Double Ambig)
 &rst
  ixpk= 521, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1188,1129,
 igr2=1093,1094,1093,1094,
 &end
#
#    0 AMB  20-2:522     11 LEU  MDY         2.80    (#    522:20  Single Ambig)
 &rst
  ixpk= 522, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 157, 938,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   40 LEU  HA           20 THR  MG2         5.50    (#    525:20  Unique    6.41, 7.65 A)
 &rst
  ixpk= 525, nxpk= 20, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 310, 311, 312,
 &end
#
#   47 ILE  HA           14 THR  MG2         4.50    (#    526:20  Unique    3.21, 4.50 A)
 &rst
  ixpk= 526, nxpk= 20, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 219, 220, 221,
 &end
#
#   13 LEU  HA           14 THR  MG2         4.50    (#    527:20  Unique    3.65, 4.65 A)
 &rst
  ixpk= 527, nxpk= 20, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 219, 220, 221,
 &end
#
#   14 THR  HA           14 THR  MG2         2.80    (#    528:20  Unique    2.37, 3.09 A)
 &rst
  ixpk= 528, nxpk= 20, iat= 215,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 219, 220, 221,
 &end
#
#   53 THR  HG1          53 THR  MG2         3.50    (#    530:20  Unique    2.33, 3.65 A)
 &rst
  ixpk= 530, nxpk= 20, iat= 862,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 858, 859, 860,
 &end
#
#   53 THR  HB           53 THR  MG2         2.80    (#    531:20  Unique    2.38, 2.63 A)
 &rst
  ixpk= 531, nxpk= 20, iat= 856,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 858, 859, 860,
 &end
#
#   34 GLY  HA-          53 THR  MG2         5.50    (#    532:20  Unique    3.62, 4.57 A)
 &rst
  ixpk= 532, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 534, 535,
 igr2= 858, 859, 860,
 &end
#
#    0 AMB  20-2:533     40 LEU  MDY         3.50    (#    533:20  Single Ambig)
 &rst
  ixpk= 533, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 320, 725,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#    0 AMB  20-2:534     40 LEU  MDY         4.50    (#    534:20  Single Ambig)
 &rst
  ixpk= 534, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 614, 598,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   40 LEU  HA           40 LEU  MDY         2.80    (#    535:20  Unique    2.25, 3.80 A)
 &rst
  ixpk= 535, nxpk= 20, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#    0 AMB  20-2:536     50 VAL  MGY         4.50    (#    536:20  Single Ambig)
 &rst
  ixpk= 536, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 819, 541, 834,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   50 VAL  HA           50 VAL  MGY         2.80    (#    537:20  Unique    2.52, 3.20 A)
 &rst
  ixpk= 537, nxpk= 20, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#    0 AMB  20-2:540     38 VAL  MGY         2.80    (#    540:20  Single Ambig)
 &rst
  ixpk= 540, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 598, 614,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   40 LEU  HA            0 AMB  20-1:541    3.50    (#    541:20  Single Ambig)
 &rst
  ixpk= 541, nxpk= 20, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   41 VAL  HA            0 AMB  20-1:542    2.80    (#    542:20  Single Ambig)
 &rst
  ixpk= 542, nxpk= 20, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   54 THR  HA           54 THR  MG2         2.80    (#    543:20  Unique    2.40, 2.92 A)
 &rst
  ixpk= 543, nxpk= 20, iat= 868,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 872, 873, 874,
 &end
#
#   54 THR  HB           54 THR  MG2         2.80    (#    545:20  Unique    2.42, 2.64 A)
 &rst
  ixpk= 545, nxpk= 20, iat= 870,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 872, 873, 874,
 &end
#
#    0 AMB  20-2:547     50 VAL  MGX         5.50    (#    547:20  Single Ambig)
 &rst
  ixpk= 547, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 819, 196,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   50 VAL  HA           50 VAL  MGX         2.80    (#    548:20  Unique    2.52, 3.20 A)
 &rst
  ixpk= 548, nxpk= 20, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#    0 AMB  20-2:550     78 ILE  MG2         4.50    (#    550:20  Single Ambig)
 &rst
  ixpk= 550, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 196, 157,
 igr2=1241,1242,1243,
 &end
#
#   78 ILE  HA           78 ILE  MG2         3.50    (#    551:20  Unique    2.51, 3.16 A)
 &rst
  ixpk= 551, nxpk= 20, iat=1237,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1241,1242,1243,
 &end
#
#   11 LEU  HA           81 ALA  MB          4.50    (#    552:20  Unique    3.04, 4.04 A)
 &rst
  ixpk= 552, nxpk= 20, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1292,1293,1294,
 &end
#
#    0 AMB  20-2:553     81 ALA  MB          5.50    (#    553:20  Single Ambig)
 &rst
  ixpk= 553, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138,1270,
 igr2=1292,1293,1294,
 &end
#
#   75 ALA  HA           75 ALA  MB          2.80    (#    555:20  Unique    2.43, 2.67 A)
 &rst
  ixpk= 555, nxpk= 20, iat=1188,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1190,1191,1192,
 &end
#
#   47 ILE  HA           47 ILE  MG2         3.50    (#    559:20  Unique    2.38, 3.22 A)
 &rst
  ixpk= 559, nxpk= 20, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 758, 759, 760,
 &end
#
#   14 THR  HA           47 ILE  MG2         3.50    (#    560:20  Unique    2.05, 3.37 A)
 &rst
  ixpk= 560, nxpk= 20, iat= 215,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 758, 759, 760,
 &end
#
#    0 AMB  20-2:563     70 ILE  MG2         5.50    (#    563:20  Single Ambig)
 &rst
  ixpk= 563, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1131,1129,1088,
 igr2=1114,1115,1116,
 &end
#
#    0 AMB  20-2:564     78 ILE  MD1         4.50    (#    564:20  Single Ambig)
 &rst
  ixpk= 564, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1237,1215,
 igr2=1248,1249,1250,
 &end
#
#   10 ILE  HA           10 ILE  MD1         5.50    (#    566:20  Unique    2.50, 4.66 A)
 &rst
  ixpk= 566, nxpk= 20, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 149, 150, 151,
 &end
#
#    0 AMB  20-2:569     16 LEU  HG          4.50    (#    569:20  Single Ambig)
 &rst
  ixpk= 569, nxpk= 20, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 243, 229,
 &end
#
#   25 LEU  HA           25 LEU  HG          4.50    (#    570:20  Unique    3.25, 3.32 A)
 &rst
  ixpk= 570, nxpk= 20, iat= 383, 388, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 GLU  HA           40 LEU  MDX         4.50    (#    571:20  Unique    2.67, 4.01 A)
 &rst
  ixpk= 571, nxpk= 20, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   25 LEU  HA           28 LEU  MDY         3.50    (#    573:20  Unique    2.60, 4.78 A)
 &rst
  ixpk= 573, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#   28 LEU  HA           28 LEU  MDY         3.50    (#    574:20  Unique    2.14, 3.82 A)
 &rst
  ixpk= 574, nxpk= 20, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#   56 LEU  HA           56 LEU  MDY         2.80    (#    575:20  Unique    2.20, 3.64 A)
 &rst
  ixpk= 575, nxpk= 20, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   58 SER  HB-          11 LEU  MDY         4.50    (#    576:20  Unique    2.10, 3.88 A)
 &rst
  ixpk= 576, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 935, 936,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   76 MET  HA           16 LEU  MDX         3.50    (#    577:20  Unique    2.61, 5.14 A)
 &rst
  ixpk= 577, nxpk= 20, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 250, 251, 252, 254, 255, 256,
 &end
#
#   58 SER  HB+          11 LEU  MDY         4.50    (#    578:20  Unique    2.10, 3.88 A)
 &rst
  ixpk= 578, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 935, 936,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#    0 AMB  20-2:579      0 AMB  20-1:579    5.50    (#    579:20  Double Ambig)
 &rst
  ixpk= 579, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 978, 261, 262,
 igr2= 164, 165, 166, 168, 169, 170, 250, 251, 252, 254,
       255, 256,
 &end
#
#   16 LEU  HA           16 LEU  MDX         3.50    (#    580:20  Unique    2.36, 4.00 A)
 &rst
  ixpk= 580, nxpk= 20, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 250, 251, 252, 254, 255, 256,
 &end
#
#   17 PRO  HD+          16 LEU  MDX         4.50    (#    581:20  Unique    3.67, 5.49 A)
 &rst
  ixpk= 581, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 261, 262,
 igr2= 250, 251, 252, 254, 255, 256,
 &end
#
#   28 LEU  HA           28 LEU  MDX         3.50    (#    582:20  Unique    2.14, 3.82 A)
 &rst
  ixpk= 582, nxpk= 20, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#   25 LEU  HA           28 LEU  MDX         4.50    (#    583:20  Unique    2.60, 4.78 A)
 &rst
  ixpk= 583, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#    0 AMB  20-2:584     14 THR  MG2         4.50    (#    584:20  Single Ambig)
 &rst
  ixpk= 584, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=  16,1258, 229,
 igr2= 219, 220, 221,
 &end
#
#   14 THR  HB           14 THR  MG2         2.80    (#    585:20  Unique    2.37, 2.66 A)
 &rst
  ixpk= 585, nxpk= 20, iat= 217,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 219, 220, 221,
 &end
#
#   65 LEU  HA           65 LEU  MDY         3.50    (#    586:20  Unique    2.16, 3.80 A)
 &rst
  ixpk= 586, nxpk= 20, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   25 LEU  HA           25 LEU  MDX         2.80    (#    587:20  Unique    2.20, 3.68 A)
 &rst
  ixpk= 587, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#    0 AMB  20-2:588     25 LEU  MDX         4.50    (#    588:20  Single Ambig)
 &rst
  ixpk= 588, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 308, 366,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#   48 ALA  HA           40 LEU  MDY         3.50    (#    589:20  Unique    3.22, 5.50 A)
 &rst
  ixpk= 589, nxpk= 20, iat= 773,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   22 GLU  HA           40 LEU  MDY         4.50    (#    590:20  Unique    2.67, 4.01 A)
 &rst
  ixpk= 590, nxpk= 20, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   62 LYS  HA           78 ILE  MG2         4.50    (#    591:20  Unique    2.17, 3.43 A)
 &rst
  ixpk= 591, nxpk= 20, iat= 978,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1241,1242,1243,
 &end
#
#   14 THR  HB           47 ILE  MG2         4.50    (#    592:20  Unique    3.07, 4.27 A)
 &rst
  ixpk= 592, nxpk= 20, iat= 217,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 758, 759, 760,
 &end
#
#   66 GLN  HA           78 ILE  MD1         4.50    (#    593:20  Unique    2.68, 3.69 A)
 &rst
  ixpk= 593, nxpk= 20, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1248,1249,1250,
 &end
#
#   62 LYS  HA           78 ILE  MD1         3.50    (#    594:20  Unique    2.23, 2.84 A)
 &rst
  ixpk= 594, nxpk= 20, iat= 978,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1248,1249,1250,
 &end
#
#   65 LEU  HA           65 LEU  MDX         3.50    (#    595:20  Unique    2.16, 3.80 A)
 &rst
  ixpk= 595, nxpk= 20, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   29 PHE  HA           65 LEU  MDX         3.50    (#    596:20  Unique    3.12, 4.92 A)
 &rst
  ixpk= 596, nxpk= 20, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   28 LEU  HA           65 LEU  MDX         4.50    (#    597:20  Unique    4.35, 5.52 A)
 &rst
  ixpk= 597, nxpk= 20, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#    0 AMB  20-2:598      0 AMB  20-1:598    3.50    (#    598:20  Double Ambig)
 &rst
  ixpk= 598, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 138, 868,
 igr2= 126, 127, 126, 127, 126, 127,
 &end
#
#    5 GLN  HA            5 GLN  HG-         4.50    (#    604:20  Unique    2.38, 3.42 A)
 &rst
  ixpk= 604, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  67,  68,
 &end
#
#    6 PRO  HA            6 PRO  HB+         2.80    (#    605:20  Unique    2.39, 2.71 A)
 &rst
  ixpk= 605, nxpk= 20, iat=  87,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=  84,  85,
 &end
#
#    5 GLN  HA            5 GLN  HB+         4.50    (#    606:20  Unique    2.54, 2.82 A)
 &rst
  ixpk= 606, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  64,  65,
 &end
#
#   46 ASP  HA           46 ASP  HB-         3.50    (#    607:20  Unique    2.31, 2.49 A)
 &rst
  ixpk= 607, nxpk= 20, iat= 742,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 744, 745,
 &end
#
#    5 GLN  HA            5 GLN  HG+         4.50    (#    608:20  Unique    2.38, 3.42 A)
 &rst
  ixpk= 608, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  67,  68,
 &end
#
#    6 PRO  HA            6 PRO  HB-         3.50    (#    609:20  Unique    2.39, 2.71 A)
 &rst
  ixpk= 609, nxpk= 20, iat=  87,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  84,  85,
 &end
#
#    0 AMB  20-2:610     69 LYS  HD-         3.50    (#    610:20  Single Ambig)
 &rst
  ixpk= 610, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1088,1188,
 igr2=1096,1097,
 &end
#
#    0 AMB  20-2:611      0 AMB  20-1:611    3.50    (#    611:20  Double Ambig)
 &rst
  ixpk= 611, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1088,1188,
 igr2=1096,1097,1096,1097,
 &end
#
#    0 AMB  20-2:612      0 AMB  20-1:612    3.50    (#    612:20  Double Ambig)
 &rst
  ixpk= 612, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1131,1129,  87,
 igr2=1145,1146,1145,1146,1145,1146,  95,  96,
 &end
#
#    0 AMB  20-2:613      0 AMB  20-1:613    4.50    (#    613:20  Double Ambig)
 &rst
  ixpk= 613, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
 igr1=1131, 638,  87,
 igr2= 264, 265, 264, 265, 643,  95,  96,
 &end
#
#    6 PRO  HA            6 PRO  HG+         4.50    (#    614:20  Unique    2.74, 3.34 A)
 &rst
  ixpk= 614, nxpk= 20, iat=  87,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  81,  82,
 &end
#
#    6 PRO  HA            6 PRO  HG-         4.50    (#    615:20  Unique    2.74, 3.34 A)
 &rst
  ixpk= 615, nxpk= 20, iat=  87,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  81,  82,
 &end
#
#   69 LYS  HA           69 LYS  HG-         3.50    (#    616:20  Unique    3.23, 3.52 A)
 &rst
  ixpk= 616, nxpk= 20, iat=1088,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1093,1094,
 &end
#
#   40 LEU  HA           40 LEU  HB-         4.50    (#    617:20  Unique    2.39, 2.76 A)
 &rst
  ixpk= 617, nxpk= 20, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 640, 641,
 &end
#
#   77 LYS  HA           77 LYS  HB+         3.50    (#    619:20  Unique    2.40, 2.75 A)
 &rst
  ixpk= 619, nxpk= 20, iat=1215,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1217,1218,
 &end
#
#   77 LYS  HA           77 LYS  HB-         3.50    (#    620:20  Unique    2.40, 2.75 A)
 &rst
  ixpk= 620, nxpk= 20, iat=1215,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1217,1218,
 &end
#
#   39 ARG  HA           39 ARG  HG+         4.50    (#    625:20  Unique    2.44, 2.99 A)
 &rst
  ixpk= 625, nxpk= 20, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 619, 620,
 &end
#
#   65 LEU  HA           64 ALA  MB          4.50    (#    628:20  Unique    4.44, 4.93 A)
 &rst
  ixpk= 628, nxpk= 20, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1017,1018,1019,
 &end
#
#    2 GLN  HA            2 GLN  HG+         3.50    (#    629:20  Unique    2.41, 3.20 A)
 &rst
  ixpk= 629, nxpk= 20, iat=  16,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  21,  22,
 &end
#
#   33 PRO  HA           33 PRO  HB+         3.50    (#    630:20  Unique    2.27, 2.58 A)
 &rst
  ixpk= 630, nxpk= 20, iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 525, 526,
 &end
#
#   79 THR  HA           62 LYS  HE+         4.50    (#    631:20  Unique    2.70, 4.31 A)
 &rst
  ixpk= 631, nxpk= 20, iat=1256,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 989, 990,
 &end
#
#   79 THR  HA           62 LYS  HE-         4.50    (#    632:20  Unique    2.70, 4.31 A)
 &rst
  ixpk= 632, nxpk= 20, iat=1256,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 989, 990,
 &end
#
#   15 ASN  HA           15 ASN  HB-         3.50    (#    633:20  Unique    2.51, 2.78 A)
 &rst
  ixpk= 633, nxpk= 20, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 231, 232,
 &end
#
#    4 GLU  HA            4 GLU  HG+         3.50    (#    634:20  Unique    2.40, 3.27 A)
 &rst
  ixpk= 634, nxpk= 20, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  52,  53,
 &end
#
#    4 GLU  HA            4 GLU  HG-         3.50    (#    635:20  Unique    2.40, 3.27 A)
 &rst
  ixpk= 635, nxpk= 20, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  52,  53,
 &end
#
#   33 PRO  HA           33 PRO  HG+         4.50    (#    636:20  Unique    2.84, 3.78 A)
 &rst
  ixpk= 636, nxpk= 20, iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 522, 523,
 &end
#
#   33 PRO  HA           33 PRO  HB-         3.50    (#    637:20  Unique    2.27, 2.58 A)
 &rst
  ixpk= 637, nxpk= 20, iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 525, 526,
 &end
#
#    4 GLU  HA            4 GLU  HB+         3.50    (#    638:20  Unique    2.37, 2.66 A)
 &rst
  ixpk= 638, nxpk= 20, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  49,  50,
 &end
#
#    4 GLU  HA            4 GLU  HB-         3.50    (#    639:20  Unique    2.37, 2.66 A)
 &rst
  ixpk= 639, nxpk= 20, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  49,  50,
 &end
#
#    2 GLN  HA            2 GLN  HB+         3.50    (#    640:20  Unique    2.41, 2.72 A)
 &rst
  ixpk= 640, nxpk= 20, iat=  16,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  18,  19,
 &end
#
#    2 GLN  HA            2 GLN  HB-         3.50    (#    641:20  Unique    2.41, 2.72 A)
 &rst
  ixpk= 641, nxpk= 20, iat=  16,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  18,  19,
 &end
#
#   33 PRO  HA           33 PRO  HG-         5.50    (#    642:20  Unique    2.84, 3.78 A)
 &rst
  ixpk= 642, nxpk= 20, iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 522, 523,
 &end
#
#   36 LYS  HA           36 LYS  HB+         3.50    (#    649:20  Unique    2.39, 2.76 A)
 &rst
  ixpk= 649, nxpk= 20, iat= 561,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 563, 564,
 &end
#
#   36 LYS  HA           36 LYS  HB-         3.50    (#    650:20  Unique    2.39, 2.76 A)
 &rst
  ixpk= 650, nxpk= 20, iat= 561,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 563, 564,
 &end
#
#   17 PRO  HA           17 PRO  HB-         3.50    (#    651:20  Unique    2.31, 2.54 A)
 &rst
  ixpk= 651, nxpk= 20, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 267, 268,
 &end
#
#   70 ILE  HA           70 ILE  HG1+        4.50    (#    652:20  Unique    2.71, 2.85 A)
 &rst
  ixpk= 652, nxpk= 20, iat=1110,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1118,1119,
 &end
#
#   53 THR  HA           36 LYS  HD+         3.50    (#    653:20  Unique    2.21, 3.09 A)
 &rst
  ixpk= 653, nxpk= 20, iat= 854,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 569, 570,
 &end
#
#   53 THR  HA           36 LYS  HD-         4.50    (#    654:20  Unique    2.21, 3.09 A)
 &rst
  ixpk= 654, nxpk= 20, iat= 854,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 569, 570,
 &end
#
#    0 AMB  20-2:659      0 AMB  20-1:659    3.50    (#    659:20  Double Ambig)
 &rst
  ixpk= 659, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1300,1322,
 igr2=1305,1306,1327,1328,1327,1328,
 &end
#
#   14 THR  HB            0 AMB  20-1:660    4.50    (#    660:20  Single Ambig)
 &rst
  ixpk= 660, nxpk= 20, iat= 217,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1220,1221,1220,1221,
 &end
#
#   56 LEU  HA           56 LEU  MDX         3.50    (#    662:20  Unique    2.20, 3.64 A)
 &rst
  ixpk= 662, nxpk= 20, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#    0 AMB  20-2:663     36 LYS  HG-         3.50    (#    663:20  Single Ambig)
 &rst
  ixpk= 663, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 561, 854,
 igr2= 566, 567,
 &end
#
#    0 AMB  20-2:664      0 AMB  20-1:664    3.50    (#    664:20  Double Ambig)
 &rst
  ixpk= 664, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 561, 854,
 igr2= 566, 567, 566, 567,
 &end
#
#   25 LEU  HA           20 THR  MG2         5.50    (#    666:20  Unique    4.96, 5.31 A)
 &rst
  ixpk= 666, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 310, 311, 312,
 &end
#
#   20 THR  HB           20 THR  MG2         2.80    (#    667:20  Unique    2.42, 2.66 A)
 &rst
  ixpk= 667, nxpk= 20, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 310, 311, 312,
 &end
#
#   20 THR  HA           20 THR  MG2         3.50    (#    668:20  Unique    2.42, 3.09 A)
 &rst
  ixpk= 668, nxpk= 20, iat= 306,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 310, 311, 312,
 &end
#
#   53 THR  HA           53 THR  MG2         2.80    (#    670:20  Unique    2.66, 3.32 A)
 &rst
  ixpk= 670, nxpk= 20, iat= 854,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 858, 859, 860,
 &end
#
#   34 GLY  HA+          53 THR  MG2         4.50    (#    671:20  Unique    3.62, 4.57 A)
 &rst
  ixpk= 671, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 534, 535,
 igr2= 858, 859, 860,
 &end
#
#    3 THR  HB            3 THR  MG2         2.80    (#    672:20  Unique    2.40, 2.66 A)
 &rst
  ixpk= 672, nxpk= 20, iat=  35,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=  37,  38,  39,
 &end
#
#   26 SER  HB-          38 VAL  MGX         3.50    (#    673:20  Unique    2.88, 5.87 A)
 &rst
  ixpk= 673, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 404, 405,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   26 SER  HA           38 VAL  MGX         2.80    (#    674:20  Unique    2.48, 4.44 A)
 &rst
  ixpk= 674, nxpk= 20, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  20-2:675     38 VAL  MGY         4.50    (#    675:20  Single Ambig)
 &rst
  ixpk= 675, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 383, 349,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   26 SER  HB-          38 VAL  MGY         4.50    (#    676:20  Unique    2.88, 5.87 A)
 &rst
  ixpk= 676, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 404, 405,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   22 GLU  HA           38 VAL  MGY         3.50    (#    677:20  Unique    2.41, 4.37 A)
 &rst
  ixpk= 677, nxpk= 20, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  20-2:678     73 THR  MG2         2.80    (#    678:20  Single Ambig)
 &rst
  ixpk= 678, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1157,1159,
 igr2=1161,1162,1163,
 &end
#
#    0 AMB  20-2:679     54 THR  MG2         4.50    (#    679:20  Single Ambig)
 &rst
  ixpk= 679, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 854, 121,
 igr2= 872, 873, 874,
 &end
#
#   42 PRO  HD+          41 VAL  MGX         3.50    (#    680:20  Unique    2.28, 4.53 A)
 &rst
  ixpk= 680, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 672, 673,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   42 PRO  HD-          41 VAL  MGX         4.50    (#    681:20  Unique    2.28, 4.53 A)
 &rst
  ixpk= 681, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 672, 673,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   60 ALA  HA           64 ALA  MB          4.50    (#    682:20  Unique    4.82, 5.69 A)
 &rst
  ixpk= 682, nxpk= 20, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1017,1018,1019,
 &end
#
#   64 ALA  HA           64 ALA  MB          2.80    (#    683:20  Unique    2.45, 2.66 A)
 &rst
  ixpk= 683, nxpk= 20, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1017,1018,1019,
 &end
#
#    0 AMB  20-2:684      0 AMB  20-1:684    2.80    (#    684:20  Double Ambig)
 &rst
  ixpk= 684, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1290,   6,
 igr2=1292,1293,1294,   8,   9,  10,
 &end
#
#   76 MET  HA           75 ALA  MB          5.50    (#    685:20  Unique    5.12, 5.55 A)
 &rst
  ixpk= 685, nxpk= 20, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1190,1191,1192,
 &end
#
#   68 PHE  HA           75 ALA  MB          5.50    (#    686:20  Unique    5.13, 6.00 A)
 &rst
  ixpk= 686, nxpk= 20, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1190,1191,1192,
 &end
#
#   15 ASN  HB+          75 ALA  MB          4.50    (#    687:20  Unique    4.81, 6.42 A)
 &rst
  ixpk= 687, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 231, 232,
 igr2=1190,1191,1192,
 &end
#
#   60 ALA  HA           60 ALA  MB          2.80    (#    688:20  Unique    2.43, 2.65 A)
 &rst
  ixpk= 688, nxpk= 20, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 960, 961, 962,
 &end
#
#   70 ILE  HA           70 ILE  MG2         3.50    (#    689:20  Unique    2.54, 3.16 A)
 &rst
  ixpk= 689, nxpk= 20, iat=1110,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1114,1115,1116,
 &end
#
#    0 AMB  20-2:690     70 ILE  MD1         4.50    (#    690:20  Single Ambig)
 &rst
  ixpk= 690, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1110, 306,
 igr2=1121,1122,1123,
 &end
#
#    0 AMB  20-2:691      0 AMB  20-1:691    4.50    (#    691:20  Double Ambig)
 &rst
  ixpk= 691, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 383,1198,
 igr2= 432, 433,1121,1122,1123,
 &end
#
#   28 LEU  HA           28 LEU  HB+         3.50    (#    692:20  Unique    2.56, 2.81 A)
 &rst
  ixpk= 692, nxpk= 20, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 432, 433,
 &end
#
#    0 AMB  20-2:700     79 THR  MG2         2.80    (#    700:20  Single Ambig)
 &rst
  ixpk= 700, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  47,1258,  16,
 igr2=1260,1261,1262,
 &end
#
#    3 THR  HA            3 THR  MG2         2.80    (#    701:20  Unique    2.39, 3.02 A)
 &rst
  ixpk= 701, nxpk= 20, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=  37,  38,  39,
 &end
#
#   37 GLU  HA           37 GLU  HG+         4.50    (#    703:20  Unique    2.23, 2.90 A)
 &rst
  ixpk= 703, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 588, 589,
 &end
#
#   37 GLU  HA           37 GLU  HG-         4.50    (#    704:20  Unique    2.23, 2.90 A)
 &rst
  ixpk= 704, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 588, 589,
 &end
#
#   83 LYS  HA            0 AMB  20-1:705    2.80    (#    705:20  Single Ambig)
 &rst
  ixpk= 705, nxpk= 20, iat=1322,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1324,1325,1324,1325,
 &end
#
#    0 AMB  20-2:706      0 AMB  20-1:706    5.50    (#    706:20  Double Ambig)
 &rst
  ixpk= 706, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1198,  35,
 igr2=1217,1218,1302,1303,1302,1303,
 &end
#
#   82 LYS  HA            0 AMB  20-1:707    2.80    (#    707:20  Single Ambig)
 &rst
  ixpk= 707, nxpk= 20, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1302,1303,1302,1303,
 &end
#
#   42 PRO  HA           42 PRO  HB-         2.80    (#    708:20  Unique    2.31, 2.56 A)
 &rst
  ixpk= 708, nxpk= 20, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 678, 679,
 &end
#
#   42 PRO  HD+          42 PRO  HB-         4.50    (#    709:20  Unique    2.76, 3.66 A)
 &rst
  ixpk= 709, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 672, 673,
 igr2= 678, 679,
 &end
#
#   37 GLU  HA           37 GLU  HB-         3.50    (#    710:20  Unique    2.52, 2.83 A)
 &rst
  ixpk= 710, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 585, 586,
 &end
#
#   63 GLU  HA           63 GLU  HB+         3.50    (#    713:20  Unique    2.23, 2.77 A)
 &rst
  ixpk= 713, nxpk= 20, iat=1000,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1002,1003,
 &end
#
#   70 ILE  HA           70 ILE  HG1-        3.50    (#    714:20  Unique    2.71, 2.85 A)
 &rst
  ixpk= 714, nxpk= 20, iat=1110,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1118,1119,
 &end
#
#    0 AMB  20-2:715      0 AMB  20-1:715    4.50    (#    715:20  Double Ambig)
 &rst
  ixpk= 715, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1300,1322,1061,1062,
 igr2=1308,1309,1308,1309,1330,1331,1330,1331,1096,1097,
      
 &end
#
#   31 GLN  HA           31 GLN  HB-         4.50    (#    716:20  Unique    2.36, 2.72 A)
 &rst
  ixpk= 716, nxpk= 20, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 485, 486,
 &end
#
#   55 GLU  HA            0 AMB  20-1:717    3.50    (#    717:20  Single Ambig)
 &rst
  ixpk= 717, nxpk= 20, iat= 882,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 884, 885, 884, 885,
 &end
#
#   19 GLU  HA           19 GLU  HB-         3.50    (#    718:20  Unique    2.42, 2.72 A)
 &rst
  ixpk= 718, nxpk= 20, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 293, 294,
 &end
#
#   72 PRO  HA            0 AMB  20-1:719    3.50    (#    719:20  Single Ambig)
 &rst
  ixpk= 719, nxpk= 20, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1145,1146,1145,1146,
 &end
#
#   56 LEU  HA            7 PRO  HG+         5.50    (#    720:20  Unique    4.90, 5.58 A)
 &rst
  ixpk= 720, nxpk= 20, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  95,  96,
 &end
#
#   28 LEU  HA           28 LEU  HB-         3.50    (#    722:20  Unique    2.56, 2.81 A)
 &rst
  ixpk= 722, nxpk= 20, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 432, 433,
 &end
#
#   56 LEU  HA           56 LEU  HB+         2.80    (#    723:20  Unique    2.41, 2.82 A)
 &rst
  ixpk= 723, nxpk= 20, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 899, 900,
 &end
#
#   56 LEU  HA           56 LEU  HB-         2.80    (#    724:20  Unique    2.41, 2.82 A)
 &rst
  ixpk= 724, nxpk= 20, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 899, 900,
 &end
#
#   70 ILE  HA           70 ILE  HB          4.50    (#    725:20  Unique    3.04, 3.05 A)
 &rst
  ixpk= 725, nxpk= 20, iat=1110,1112, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   76 MET  HA           76 MET  HB+         3.50    (#    727:20  Unique    2.53, 2.80 A)
 &rst
  ixpk= 727, nxpk= 20, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1200,1201,
 &end
#
#    0 AMB  20-2:728      0 AMB  20-1:728    4.50    (#    728:20  Double Ambig)
 &rst
  ixpk= 728, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
 igr1= 217, 882, 897,  35,
 igr2=  21,  22, 126, 127, 126, 127, 921, 922, 921, 922,
        21,  22, 921, 922,
 &end
#
#   24 MET  HA           24 MET  HB+         3.50    (#    729:20  Unique    2.43, 2.77 A)
 &rst
  ixpk= 729, nxpk= 20, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 368, 369,
 &end
#
#    6 PRO  HD+           5 GLN  HG+         4.50    (#    730:20  Unique    3.04, 4.85 A)
 &rst
  ixpk= 730, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  78,  79,
 igr2=  67,  68,
 &end
#
#    6 PRO  HD+           5 GLN  HG-         4.50    (#    731:20  Unique    3.04, 4.85 A)
 &rst
  ixpk= 731, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  78,  79,
 igr2=  67,  68,
 &end
#
#   33 PRO  HD+          33 PRO  HB+         4.50    (#    732:20  Unique    2.79, 3.69 A)
 &rst
  ixpk= 732, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 519, 520,
 igr2= 525, 526,
 &end
#
#   72 PRO  HA           72 PRO  HB+         3.50    (#    733:20  Unique    2.28, 2.64 A)
 &rst
  ixpk= 733, nxpk= 20, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1148,1149,
 &end
#
#    0 AMB  20-2:734      0 AMB  20-1:734    4.50    (#    734:20  Double Ambig)
 &rst
  ixpk= 734, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1142,1143,1142,1143,
 igr2=1148,1149,1148,1149,
 &end
#
#   23 MET  HA           23 MET  HG-         3.50    (#    735:20  Unique    2.39, 3.05 A)
 &rst
  ixpk= 735, nxpk= 20, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 354, 355,
 &end
#
#   42 PRO  HD-          42 PRO  HB+         4.50    (#    736:20  Unique    2.76, 3.66 A)
 &rst
  ixpk= 736, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 672, 673,
 igr2= 678, 679,
 &end
#
#   42 PRO  HA           42 PRO  HB+         3.50    (#    737:20  Unique    2.31, 2.56 A)
 &rst
  ixpk= 737, nxpk= 20, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 678, 679,
 &end
#
#   42 PRO  HD+          42 PRO  HB+         4.50    (#    738:20  Unique    2.76, 3.66 A)
 &rst
  ixpk= 738, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 672, 673,
 igr2= 678, 679,
 &end
#
#   24 MET  HA           24 MET  HG-         2.80    (#    739:20  Unique    2.45, 3.15 A)
 &rst
  ixpk= 739, nxpk= 20, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 371, 372,
 &end
#
#    7 PRO  HD+           6 PRO  HB+         3.50    (#    740:20  Unique    2.34, 3.64 A)
 &rst
  ixpk= 740, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  92,  93,
 igr2=  84,  85,
 &end
#
#   76 MET  HA           15 ASN  HB-         4.50    (#    745:20  Unique    3.63, 4.58 A)
 &rst
  ixpk= 745, nxpk= 20, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 231, 232,
 &end
#
#    0 AMB  20-2:747      0 AMB  20-1:747    2.80    (#    747:20  Double Ambig)
 &rst
  ixpk= 747, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 469, 413,
 igr2= 471, 472, 471, 472,
 &end
#
#    0 AMB  20-2:748     30 ASN  HB-         2.80    (#    748:20  Single Ambig)
 &rst
  ixpk= 748, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 469, 413,
 igr2= 471, 472,
 &end
#
#   63 GLU  HA           63 GLU  HG+         3.50    (#    749:20  Unique    2.44, 3.30 A)
 &rst
  ixpk= 749, nxpk= 20, iat=1000,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1005,1006,
 &end
#
#   63 GLU  HA           63 GLU  HG-         3.50    (#    751:20  Unique    2.44, 3.30 A)
 &rst
  ixpk= 751, nxpk= 20, iat=1000,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1005,1006,
 &end
#
#   22 GLU  HA            0 AMB  20-1:752    2.80    (#    752:20  Single Ambig)
 &rst
  ixpk= 752, nxpk= 20, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 339, 340, 339, 340,
 &end
#
#    0 AMB  20-2:753      0 AMB  20-1:753    3.50    (#    753:20  Double Ambig)
 &rst
  ixpk= 753, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 958, 404, 405,
 igr2=1005,1006, 339, 340,
 &end
#
#    0 AMB  20-2:754      0 AMB  20-1:754    5.50    (#    754:20  Double Ambig)
 &rst
  ixpk= 754, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1015, 349,
 igr2=1005,1006, 339, 340, 339, 340,
 &end
#
#   76 MET  HA           76 MET  HB-         4.50    (#    759:20  Unique    2.53, 2.80 A)
 &rst
  ixpk= 759, nxpk= 20, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1200,1201,
 &end
#
#   24 MET  HA           24 MET  HB-         3.50    (#    760:20  Unique    2.43, 2.77 A)
 &rst
  ixpk= 760, nxpk= 20, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 368, 369,
 &end
#
#    0 AMB  20-2:761      0 AMB  20-1:761    2.80    (#    761:20  Double Ambig)
 &rst
  ixpk= 761, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 413, 366,
 igr2= 415, 416, 415, 416, 415, 416,
 &end
#
#   37 GLU  HA           37 GLU  HB+         4.50    (#    762:20  Unique    2.52, 2.83 A)
 &rst
  ixpk= 762, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 585, 586,
 &end
#
#   22 GLU  HA           22 GLU  HB+         3.50    (#    764:20  Unique    2.51, 2.80 A)
 &rst
  ixpk= 764, nxpk= 20, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 336, 337,
 &end
#
#   63 GLU  HA           63 GLU  HB-         3.50    (#    765:20  Unique    2.23, 2.77 A)
 &rst
  ixpk= 765, nxpk= 20, iat=1000,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1002,1003,
 &end
#
#   22 GLU  HA           22 GLU  HB-         3.50    (#    766:20  Unique    2.51, 2.80 A)
 &rst
  ixpk= 766, nxpk= 20, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 336, 337,
 &end
#
#   19 GLU  HA           19 GLU  HB+         4.50    (#    767:20  Unique    2.42, 2.72 A)
 &rst
  ixpk= 767, nxpk= 20, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 293, 294,
 &end
#
#    0 AMB  20-2:770      0 AMB  20-1:770    3.50    (#    770:20  Double Ambig)
 &rst
  ixpk= 770, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 519, 520, 672, 673,
 igr2= 522, 523, 675, 676,
 &end
#
#   42 PRO  HA           42 PRO  HG+         4.50    (#    771:20  Unique    2.74, 3.84 A)
 &rst
  ixpk= 771, nxpk= 20, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 675, 676,
 &end
#
#   42 PRO  HD-          42 PRO  HG+         3.50    (#    772:20  Unique    2.32, 2.61 A)
 &rst
  ixpk= 772, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 672, 673,
 igr2= 675, 676,
 &end
#
#   42 PRO  HA           42 PRO  HG-         4.50    (#    774:20  Unique    2.74, 3.84 A)
 &rst
  ixpk= 774, nxpk= 20, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 675, 676,
 &end
#
#   42 PRO  HD+          42 PRO  HG-         3.50    (#    775:20  Unique    2.32, 2.61 A)
 &rst
  ixpk= 775, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 672, 673,
 igr2= 675, 676,
 &end
#
#    6 PRO  HD+           6 PRO  HG+         2.80    (#    778:20  Unique    2.35, 2.62 A)
 &rst
  ixpk= 778, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  78,  79,
 igr2=  81,  82,
 &end
#
#   19 GLU  HA            0 AMB  20-1:782    3.50    (#    782:20  Single Ambig)
 &rst
  ixpk= 782, nxpk= 20, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 296, 297, 296, 297,
 &end
#
#   17 PRO  HA           17 PRO  HB+         4.50    (#    783:20  Unique    2.31, 2.54 A)
 &rst
  ixpk= 783, nxpk= 20, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 267, 268,
 &end
#
#    6 PRO  HD+           6 PRO  HB-         4.50    (#    784:20  Unique    2.72, 3.63 A)
 &rst
  ixpk= 784, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  78,  79,
 igr2=  84,  85,
 &end
#
#    0 AMB  20-2:785      0 AMB  20-1:785    4.50    (#    785:20  Double Ambig)
 &rst
  ixpk= 785, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1142,1143,1142,1143,1142,1143,
 igr2=1145,1146,1145,1146,1145,1146,
 &end
#
#    7 PRO  HD+           7 PRO  HG+         3.50    (#    786:20  Unique    2.33, 2.61 A)
 &rst
  ixpk= 786, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  92,  93,
 igr2=  95,  96,
 &end
#
#    6 PRO  HD+           6 PRO  HG-         2.80    (#    787:20  Unique    2.35, 2.62 A)
 &rst
  ixpk= 787, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  78,  79,
 igr2=  81,  82,
 &end
#
#   18 GLU  HA            0 AMB  20-1:788    2.80    (#    788:20  Single Ambig)
 &rst
  ixpk= 788, nxpk= 20, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 278, 279, 278, 279,
 &end
#
#   18 GLU  HA            0 AMB  20-1:789    3.50    (#    789:20  Single Ambig)
 &rst
  ixpk= 789, nxpk= 20, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 281, 282, 281, 282,
 &end
#
#    7 PRO  HD+           7 PRO  HG-         4.50    (#    790:20  Unique    2.33, 2.61 A)
 &rst
  ixpk= 790, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  92,  93,
 igr2=  95,  96,
 &end
#
#    0 AMB  20-2:791      0 AMB  20-1:791    4.50    (#    791:20  Double Ambig)
 &rst
  ixpk= 791, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 270, 502, 503,
 igr2= 278, 279, 278, 279, 485, 486,
 &end
#
#   13 LEU  HA           13 LEU  HG          4.50    (#    795:20  Unique    2.37, 2.42 A)
 &rst
  ixpk= 795, nxpk= 20, iat= 196, 201, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:796     11 LEU  HG          4.50    (#    796:20  Single Ambig)
 &rst
  ixpk= 796, nxpk= 20, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 157, 938,
 &end
#
#   11 LEU  HA           11 LEU  HB+         4.50    (#    797:20  Unique    2.43, 2.78 A)
 &rst
  ixpk= 797, nxpk= 20, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 159, 160,
 &end
#
#   13 LEU  HA           13 LEU  HB+         4.50    (#    798:20  Unique    2.69, 2.88 A)
 &rst
  ixpk= 798, nxpk= 20, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 198, 199,
 &end
#
#   14 THR  HA           47 ILE  HB          5.50    (#    799:20  Unique    3.08, 3.34 A)
 &rst
  ixpk= 799, nxpk= 20, iat= 215, 756, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   10 ILE  HA           10 ILE  HB          4.50    (#    800:20  Unique    3.01, 3.04 A)
 &rst
  ixpk= 800, nxpk= 20, iat= 138, 140, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 PHE  HA           12 PHE  HB-         4.50    (#    801:20  Unique    2.45, 2.76 A)
 &rst
  ixpk= 801, nxpk= 20, iat= 176,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 178, 179,
 &end
#
#   45 HIS  HA           45 HIS  HB-         3.50    (#    804:20  Unique    2.29, 2.76 A)
 &rst
  ixpk= 804, nxpk= 20, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 727, 728,
 &end
#
#   45 HIS  HA           45 HIS  HB+         3.50    (#    805:20  Unique    2.29, 2.76 A)
 &rst
  ixpk= 805, nxpk= 20, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 727, 728,
 &end
#
#   12 PHE  HA           12 PHE  HB+         4.50    (#    815:20  Unique    2.45, 2.76 A)
 &rst
  ixpk= 815, nxpk= 20, iat= 176,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 178, 179,
 &end
#
#   21 ASN  HA           21 ASN  HB+         3.50    (#    816:20  Unique    2.39, 2.71 A)
 &rst
  ixpk= 816, nxpk= 20, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 322, 323,
 &end
#
#   21 ASN  HA           21 ASN  HB-         2.80    (#    817:20  Unique    2.39, 2.71 A)
 &rst
  ixpk= 817, nxpk= 20, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 322, 323,
 &end
#
#    0 AMB  20-2:818     58 SER  HA          4.50    (#    818:20  Single Ambig)
 &rst
  ixpk= 818, nxpk= 20, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 938, 541,
 &end
#
#    0 AMB  20-2:819      0 AMB  20-1:819    4.50    (#    819:20  Double Ambig)
 &rst
  ixpk= 819, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 834, 938,
 igr2= 836, 837, 836, 837, 836, 837,
 &end
#
#    0 AMB  20-2:820      0 AMB  20-1:820    4.50    (#    820:20  Double Ambig)
 &rst
  ixpk= 820, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 834, 938,
 igr2= 836, 837, 836, 837, 836, 837,
 &end
#
#   80 PHE  HA           80 PHE  HB+         4.50    (#    822:20  Unique    2.50, 2.79 A)
 &rst
  ixpk= 822, nxpk= 20, iat=1270,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1272,1273,
 &end
#
#   58 SER  HG           58 SER  HB-         3.50    (#    824:20  Unique    2.11, 2.33 A)
 &rst
  ixpk= 824, nxpk= 20, iat= 938,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 935, 936,
 &end
#
#    6 PRO  HA            7 PRO  HD-         3.50    (#    825:20  Unique    2.12, 2.49 A)
 &rst
  ixpk= 825, nxpk= 20, iat=  87,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  92,  93,
 &end
#
#   16 LEU  HA           17 PRO  HD+         4.50    (#    826:20  Unique    2.33, 2.48 A)
 &rst
  ixpk= 826, nxpk= 20, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 261, 262,
 &end
#
#   16 LEU  HA           17 PRO  HD-         4.50    (#    827:20  Unique    2.33, 2.48 A)
 &rst
  ixpk= 827, nxpk= 20, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 261, 262,
 &end
#
#   68 PHE  HB+          68 PHE  HA          4.50    (#    828:20  Unique    2.42, 2.74 A)
 &rst
  ixpk= 828, nxpk= 20, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1070,1071,
 &end
#
#   68 PHE  HB-          68 PHE  HA          3.50    (#    829:20  Unique    2.42, 2.74 A)
 &rst
  ixpk= 829, nxpk= 20, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1070,1071,
 &end
#
#    0 AMB  20-2:830     56 LEU  HA          3.50    (#    830:20  Single Ambig)
 &rst
  ixpk= 830, nxpk= 20, iat=  -1, 897, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 946, 947, 946, 947,
 &end
#
#    0 AMB  20-2:831     83 LYS  HA          4.50    (#    831:20  Single Ambig)
 &rst
  ixpk= 831, nxpk= 20, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1333,1334,1333,1334,1311,1312,
 &end
#
#    0 AMB  20-2:832     83 LYS  HA          4.50    (#    832:20  Single Ambig)
 &rst
  ixpk= 832, nxpk= 20, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1333,1334,1333,1334,1311,1312,
 &end
#
#   35 PHE  HB+          30 ASN  HA          4.50    (#    833:20  Unique    2.70, 4.04 A)
 &rst
  ixpk= 833, nxpk= 20, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 543, 544,
 &end
#
#   35 PHE  HB-          30 ASN  HA          3.50    (#    834:20  Unique    2.70, 4.04 A)
 &rst
  ixpk= 834, nxpk= 20, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 543, 544,
 &end
#
#   58 SER  HA           58 SER  HB-         4.50    (#    835:20  Unique    2.34, 2.48 A)
 &rst
  ixpk= 835, nxpk= 20, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 935, 936,
 &end
#
#   17 PRO  HD-          16 LEU  HA          4.50    (#    836:20  Unique    2.33, 2.48 A)
 &rst
  ixpk= 836, nxpk= 20, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 261, 262,
 &end
#
#   29 PHE  HB+          29 PHE  HA          4.50    (#    838:20  Unique    2.48, 2.78 A)
 &rst
  ixpk= 838, nxpk= 20, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 451, 452,
 &end
#
#    0 AMB  20-2:841     59 ASN  HA          3.50    (#    841:20  Single Ambig)
 &rst
  ixpk= 841, nxpk= 20, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 946, 947, 946, 947,
 &end
#
#   43 ASN  HB-          43 ASN  HA          2.80    (#    847:20  Unique    2.18, 2.69 A)
 &rst
  ixpk= 847, nxpk= 20, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 689, 690,
 &end
#
#    0 AMB  20-2:848     81 ALA  HA          3.50    (#    848:20  Single Ambig)
 &rst
  ixpk= 848, nxpk= 20, iat=  -1,1290, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 178, 179,1311,1312,
 &end
#
#    0 AMB  20-2:851     36 LYS  HA          5.50    (#    851:20  Single Ambig)
 &rst
  ixpk= 851, nxpk= 20, iat=  -1, 561, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 572, 573, 572, 573,
 &end
#
#    0 AMB  20-2:852     53 THR  HA          4.50    (#    852:20  Single Ambig)
 &rst
  ixpk= 852, nxpk= 20, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 572, 573, 572, 573,
 &end
#
#    0 AMB  20-2:853     70 ILE  HA          5.50    (#    853:20  Single Ambig)
 &rst
  ixpk= 853, nxpk= 20, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1088,1129,1131,1188,
 &end
#
#   21 ASN  HA           22 GLU  HA          4.50    (#    857:20  Unique    4.19, 4.32 A)
 &rst
  ixpk= 857, nxpk= 20, iat= 320, 334, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 VAL  HA           42 PRO  HD+         3.50    (#    860:20  Unique    2.17, 2.35 A)
 &rst
  ixpk= 860, nxpk= 20, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 672, 673,
 &end
#
#   41 VAL  HA           42 PRO  HD-         3.50    (#    861:20  Unique    2.17, 2.35 A)
 &rst
  ixpk= 861, nxpk= 20, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 672, 673,
 &end
#
#   32 PHE  HA           33 PRO  HD-         3.50    (#    862:20  Unique    2.03, 2.34 A)
 &rst
  ixpk= 862, nxpk= 20, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 519, 520,
 &end
#
#    5 GLN  HA            6 PRO  HD+         2.80    (#    863:20  Unique    2.33, 2.54 A)
 &rst
  ixpk= 863, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=  78,  79,
 &end
#
#    0 AMB  20-2:864      0 AMB  20-1:864    3.50    (#    864:20  Double Ambig)
 &rst
  ixpk= 864, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1131,1129,
 igr2=1142,1143,1142,1143,
 &end
#
#   53 THR  HB           34 GLY  HA+         4.50    (#    865:20  Unique    2.43, 2.94 A)
 &rst
  ixpk= 865, nxpk= 20, iat= 856,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 534, 535,
 &end
#
#   32 PHE  HA           32 PHE  HB+         5.50    (#    872:20  Unique    2.36, 2.70 A)
 &rst
  ixpk= 872, nxpk= 20, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 502, 503,
 &end
#
#   15 ASN  HA           15 ASN  HB+         3.50    (#    873:20  Unique    2.51, 2.78 A)
 &rst
  ixpk= 873, nxpk= 20, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 231, 232,
 &end
#
#   21 ASN  HA           20 THR  HA          4.50    (#    874:20  Unique    4.48, 4.50 A)
 &rst
  ixpk= 874, nxpk= 20, iat= 320, 306, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:875      0 AMB  20-1:875    2.80    (#    875:20  Double Ambig)
 &rst
  ixpk= 875, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 366, 413,
 igr2= 418, 419, 418, 419, 418, 419,
 &end
#
#   23 MET  HA           23 MET  HG+         3.50    (#    876:20  Unique    2.39, 3.05 A)
 &rst
  ixpk= 876, nxpk= 20, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 354, 355,
 &end
#
#   24 MET  HA           24 MET  HG+         2.80    (#    877:20  Unique    2.45, 3.15 A)
 &rst
  ixpk= 877, nxpk= 20, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 371, 372,
 &end
#
#   58 SER  HB+          58 SER  HA          3.50    (#    878:20  Unique    2.34, 2.48 A)
 &rst
  ixpk= 878, nxpk= 20, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 935, 936,
 &end
#
#   83 LYS  HA            0 AMB  20-1:881    4.50    (#    881:20  Single Ambig)
 &rst
  ixpk= 881, nxpk= 20, iat=1322,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1333,1334,1333,1334,
 &end
#
#   36 LYS  HA            0 AMB  20-1:882    4.50    (#    882:20  Single Ambig)
 &rst
  ixpk= 882, nxpk= 20, iat= 561,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 572, 573, 572, 573,
 &end
#
#   43 ASN  HA            0 AMB  20-1:883    2.80    (#    883:20  Single Ambig)
 &rst
  ixpk= 883, nxpk= 20, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 689, 690, 689, 690,
 &end
#
#   43 ASN  HA           43 ASN  HB-         2.80    (#    884:20  Unique    2.18, 2.69 A)
 &rst
  ixpk= 884, nxpk= 20, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 689, 690,
 &end
#
#   34 GLY  HA+          33 PRO  HA          4.50    (#    886:20  Unique    4.50, 4.91 A)
 &rst
  ixpk= 886, nxpk= 20, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 534, 535,
 &end
#
#    7 PRO  HD+           6 PRO  HA          2.80    (#    889:20  Unique    2.12, 2.49 A)
 &rst
  ixpk= 889, nxpk= 20, iat=  -1,  87, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  92,  93,
 &end
#
#   42 PRO  HD+          41 VAL  HA          2.80    (#    891:20  Unique    2.17, 2.35 A)
 &rst
  ixpk= 891, nxpk= 20, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 672, 673,
 &end
#
#   42 PRO  HD-          41 VAL  HA          2.80    (#    892:20  Unique    2.17, 2.35 A)
 &rst
  ixpk= 892, nxpk= 20, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 672, 673,
 &end
#
#   72 PRO  HD+          71 THR  HA          2.80    (#    893:20  Unique    2.16, 2.62 A)
 &rst
  ixpk= 893, nxpk= 20, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1142,1143,
 &end
#
#   15 ASN  HB+          15 ASN  HA          3.50    (#    895:20  Unique    2.51, 2.78 A)
 &rst
  ixpk= 895, nxpk= 20, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 231, 232,
 &end
#
#    6 PRO  HD+           5 GLN  HA          2.80    (#    896:20  Unique    2.33, 2.54 A)
 &rst
  ixpk= 896, nxpk= 20, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  78,  79,
 &end
#
#   64 ALA  MB           61 ALA  HA          3.50    (#    905:20  Unique    2.43, 3.31 A)
 &rst
  ixpk= 905, nxpk= 20, iat=  -1, 968, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1017,1018,1019,
 &end
#
#   39 ARG  HG+          39 ARG  HD+         3.50    (#    906:20  Unique    2.22, 2.71 A)
 &rst
  ixpk= 906, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 619, 620,
 igr2= 622, 623,
 &end
#
#    0 AMB  20-2:907      0 AMB  20-1:907    3.50    (#    907:20  Double Ambig)
 &rst
  ixpk= 907, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 616, 617, 616, 617, 821, 822,
 igr2= 622, 623, 622, 623, 622, 623,
 &end
#
#   50 VAL  HB           49 PHE  HB-         5.50    (#    908:20  Unique    5.20, 5.82 A)
 &rst
  ixpk= 908, nxpk= 20, iat= 805,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 785, 786,
 &end
#
#    0 AMB  20-2:909     49 PHE  HB-         7.00    (#    909:20  Single Ambig)
 &rst
  ixpk= 909, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1= 159, 160, 198, 199,
 igr2= 785, 786,
 &end
#
#    0 AMB  20-2:910      0 AMB  20-1:910    2.80    (#    910:20  Double Ambig)
 &rst
  ixpk= 910, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1=1308,1309,1308,1309,1308,1309,1330,1331,1330,1331,
      1330,1331,
 igr2=1311,1312,1311,1312,1311,1312,1333,1334,1333,1334,
      1333,1334,
 &end
#
#    0 AMB  20-2:911      0 AMB  20-1:911    2.80    (#    911:20  Double Ambig)
 &rst
  ixpk= 911, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1=1327,1328,1327,1328,1327,1328,1305,1306,
 igr2=1333,1334,1333,1334,1333,1334,1311,1312,1311,1312,
      
 &end
#
#    0 AMB  20-2:912     69 LYS  HE-         2.80    (#    912:20  Single Ambig)
 &rst
  ixpk= 912, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1093,1094,1096,1097,
 igr2=1099,1100,
 &end
#
#    0 AMB  20-2:913     69 LYS  HE-         3.50    (#    913:20  Single Ambig)
 &rst
  ixpk= 913, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1093,1094,1190,1191,1192,
 igr2=1099,1100,
 &end
#
#    0 AMB  20-2:914      0 AMB  20-1:914    2.80    (#    914:20  Double Ambig)
 &rst
  ixpk= 914, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1=1093,1094,1190,1191,1192,
 igr2=1099,1100,1099,1100,
 &end
#
#    0 AMB  20-2:915      0 AMB  20-1:915    2.80    (#    915:20  Double Ambig)
 &rst
  ixpk= 915, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 569, 570, 569, 570,
 igr2= 572, 573, 572, 573,
 &end
#
#    0 AMB  20-2:916      0 AMB  20-1:916    2.80    (#    916:20  Double Ambig)
 &rst
  ixpk= 916, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 563, 564, 563, 564,
 igr2= 572, 573, 572, 573,
 &end
#
#   61 ALA  MB           58 SER  HA          3.50    (#    918:20  Unique    2.57, 3.45 A)
 &rst
  ixpk= 918, nxpk= 20, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 970, 971, 972,
 &end
#
#   10 ILE  MD1           0 AMB  20-1:920    4.50    (#    920:20  Single Ambig)
 &rst
  ixpk= 920, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 149, 150, 151,
 igr2=1333,1334,1333,1334,
 &end
#
#   70 ILE  MG2          17 PRO  HD-         4.50    (#    921:20  Unique    2.35, 3.69 A)
 &rst
  ixpk= 921, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1114,1115,1116,
 igr2= 261, 262,
 &end
#
#    0 AMB  20-2:922      0 AMB  20-1:922    4.50    (#    922:20  Double Ambig)
 &rst
  ixpk= 922, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 igr2= 709, 710, 709, 710,
 &end
#
#    0 AMB  20-2:923     44 ARG  HD-         4.50    (#    923:20  Single Ambig)
 &rst
  ixpk= 923, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 igr2= 709, 710,
 &end
#
#   10 ILE  MG2           0 AMB  20-1:924    4.50    (#    924:20  Single Ambig)
 &rst
  ixpk= 924, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 142, 143, 144,
 igr2= 785, 786,1333,1334,1333,1334,
 &end
#
#   28 LEU  MDY          28 LEU  HA          3.50    (#    925:20  Unique    2.14, 3.82 A)
 &rst
  ixpk= 925, nxpk= 20, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 437, 438, 439, 441, 442, 443,
 &end
#
#   28 LEU  MDX          28 LEU  HA          3.50    (#    926:20  Unique    2.14, 3.82 A)
 &rst
  ixpk= 926, nxpk= 20, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 437, 438, 439, 441, 442, 443,
 &end
#
#   28 LEU  MDX           0 AMB  20-1:927    4.50    (#    927:20  Single Ambig)
 &rst
  ixpk= 927, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 437, 438, 439, 441, 442, 443,
 igr2= 418, 419, 418, 419,
 &end
#
#   65 LEU  MDY          68 PHE  HB+         4.50    (#    928:20  Unique    2.92, 4.77 A)
 &rst
  ixpk= 928, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2=1070,1071,
 &end
#
#   65 LEU  MDY          65 LEU  HA          2.80    (#    929:20  Unique    2.16, 3.80 A)
 &rst
  ixpk= 929, nxpk= 20, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#   61 ALA  MB           29 PHE  HA          4.50    (#    930:20  Unique    4.09, 5.22 A)
 &rst
  ixpk= 930, nxpk= 20, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 970, 971, 972,
 &end
#
#   40 LEU  MDY          22 GLU  HA          3.50    (#    931:20  Unique    2.67, 4.01 A)
 &rst
  ixpk= 931, nxpk= 20, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 645, 646, 647, 649, 650, 651,
 &end
#
#   25 LEU  HG           22 GLU  HA          4.50    (#    932:20  Unique    3.54, 3.77 A)
 &rst
  ixpk= 932, nxpk= 20, iat= 388, 334, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   78 ILE  MD1          62 LYS  HA          2.80    (#    933:20  Unique    2.23, 2.84 A)
 &rst
  ixpk= 933, nxpk= 20, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1248,1249,1250,
 &end
#
#   78 ILE  MG2          62 LYS  HA          2.80    (#    934:20  Unique    2.17, 3.43 A)
 &rst
  ixpk= 934, nxpk= 20, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1241,1242,1243,
 &end
#
#   56 LEU  MDY          56 LEU  HA          2.80    (#    935:20  Unique    2.20, 3.64 A)
 &rst
  ixpk= 935, nxpk= 20, iat=  -1, 897, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 904, 905, 906, 908, 909, 910,
 &end
#
#   78 ILE  MD1          66 GLN  HA          3.50    (#    936:20  Unique    2.68, 3.69 A)
 &rst
  ixpk= 936, nxpk= 20, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1248,1249,1250,
 &end
#
#   25 LEU  MDX          25 LEU  HA          3.50    (#    937:20  Unique    2.20, 3.68 A)
 &rst
  ixpk= 937, nxpk= 20, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 390, 391, 392, 394, 395, 396,
 &end
#
#   25 LEU  HG           25 LEU  HA          3.50    (#    938:20  Unique    3.25, 3.32 A)
 &rst
  ixpk= 938, nxpk= 20, iat= 388, 383, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 ILE  MG2          14 THR  HB          4.50    (#    941:20  Unique    3.07, 4.27 A)
 &rst
  ixpk= 941, nxpk= 20, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 758, 759, 760,
 &end
#
#   14 THR  MG2          14 THR  HB          2.80    (#    942:20  Unique    2.37, 2.66 A)
 &rst
  ixpk= 942, nxpk= 20, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 219, 220, 221,
 &end
#
#   70 ILE  HG1+         70 ILE  HA          3.50    (#    946:20  Unique    2.71, 2.85 A)
 &rst
  ixpk= 946, nxpk= 20, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1118,1119,
 &end
#
#   70 ILE  MG2          70 ILE  HA          3.50    (#    947:20  Unique    2.54, 3.16 A)
 &rst
  ixpk= 947, nxpk= 20, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1114,1115,1116,
 &end
#
#   38 VAL  MGX          26 SER  HB+         5.50    (#    948:20  Unique    2.88, 5.87 A)
 &rst
  ixpk= 948, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 602, 603, 604, 606, 607, 608,
 igr2= 404, 405,
 &end
#
#   38 VAL  MGX          26 SER  HB-         4.50    (#    949:20  Unique    2.88, 5.87 A)
 &rst
  ixpk= 949, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 602, 603, 604, 606, 607, 608,
 igr2= 404, 405,
 &end
#
#   38 VAL  MGX          26 SER  HA          4.50    (#    950:20  Unique    2.48, 4.44 A)
 &rst
  ixpk= 950, nxpk= 20, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 602, 603, 604, 606, 607, 608,
 &end
#
#    3 THR  MG2           3 THR  HA          2.80    (#    951:20  Unique    2.39, 3.02 A)
 &rst
  ixpk= 951, nxpk= 20, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=  37,  38,  39,
 &end
#
#   17 PRO  HB-          17 PRO  HA          2.80    (#    952:20  Unique    2.31, 2.54 A)
 &rst
  ixpk= 952, nxpk= 20, iat=  -1, 270, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 267, 268,
 &end
#
#   73 THR  MG2          73 THR  HA          2.80    (#    953:20  Unique    2.42, 3.04 A)
 &rst
  ixpk= 953, nxpk= 20, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1161,1162,1163,
 &end
#
#   38 VAL  MGY          22 GLU  HA          2.80    (#    954:20  Unique    2.41, 4.37 A)
 &rst
  ixpk= 954, nxpk= 20, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 602, 603, 604, 606, 607, 608,
 &end
#
#   38 VAL  MGX          22 GLU  HA          4.50    (#    955:20  Unique    2.41, 4.37 A)
 &rst
  ixpk= 955, nxpk= 20, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  20-2:956     68 PHE  HA          4.50    (#    956:20  Single Ambig)
 &rst
  ixpk= 956, nxpk= 20, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1090,1091,1027,1028,1027,1028,1118,1119,
 &end
#
#    0 AMB  20-2:957     41 VAL  HA          2.80    (#    957:20  Single Ambig)
 &rst
  ixpk= 957, nxpk= 20, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   79 THR  MG2          79 THR  HA          3.50    (#    958:20  Unique    2.35, 2.97 A)
 &rst
  ixpk= 958, nxpk= 20, iat=  -1,1256, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1260,1261,1262,
 &end
#
#   75 ALA  MB           74 HIS  HA          4.50    (#    959:20  Unique    4.47, 5.03 A)
 &rst
  ixpk= 959, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1190,1191,1192,
 &end
#
#   25 LEU  HB-          25 LEU  HA          4.50    (#    960:20  Unique    2.43, 2.75 A)
 &rst
  ixpk= 960, nxpk= 20, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 385, 386,
 &end
#
#    0 AMB  20-2:961      0 AMB  20-1:961    4.50    (#    961:20  Double Ambig)
 &rst
  ixpk= 961, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 310, 311, 312,1190,1191,1192,
 igr2= 383,1198,
 &end
#
#    0 AMB  20-2:962      0 AMB  20-1:962    4.50    (#    962:20  Double Ambig)
 &rst
  ixpk= 962, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 432, 433,1121,1122,1123,
 igr2= 383,1198,
 &end
#
#   28 LEU  HB+          28 LEU  HA          3.50    (#    964:20  Unique    2.56, 2.81 A)
 &rst
  ixpk= 964, nxpk= 20, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 432, 433,
 &end
#
#   79 THR  MG2           2 GLN  HA          4.50    (#    965:20  Unique    2.76, 4.85 A)
 &rst
  ixpk= 965, nxpk= 20, iat=  -1,  16, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1260,1261,1262,
 &end
#
#    0 AMB  20-2:966     37 GLU  HA          4.50    (#    966:20  Single Ambig)
 &rst
  ixpk= 966, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 602, 603, 604, 606, 607, 608, 563, 564,
 &end
#
#    0 AMB  20-2:968     65 LEU  HA          3.50    (#    968:20  Single Ambig)
 &rst
  ixpk= 968, nxpk= 20, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1027,1028,1027,1028,
 &end
#
#   65 LEU  HG           65 LEU  HA          4.50    (#    969:20  Unique    3.06, 3.10 A)
 &rst
  ixpk= 969, nxpk= 20, iat=1030,1025, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:970     48 ALA  HA          2.80    (#    970:20  Single Ambig)
 &rst
  ixpk= 970, nxpk= 20, iat=  -1, 773, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#    0 AMB  20-2:973      0 AMB  20-1:973    3.50    (#    973:20  Double Ambig)
 &rst
  ixpk= 973, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 igr2= 672, 673, 672, 673,
 &end
#
#    0 AMB  20-2:974     42 PRO  HD-         3.50    (#    974:20  Single Ambig)
 &rst
  ixpk= 974, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 igr2= 672, 673,
 &end
#
#   69 LYS  HG+          72 PRO  HD-         4.50    (#    978:20  Unique    5.39, 6.80 A)
 &rst
  ixpk= 978, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1093,1094,
 igr2=1142,1143,
 &end
#
#   75 ALA  MB           67 GLY  HA+         4.50    (#    979:20  Unique    2.09, 3.86 A)
 &rst
  ixpk= 979, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1190,1191,1192,
 igr2=1061,1062,
 &end
#
#   75 ALA  MB           67 GLY  HA-         3.50    (#    980:20  Unique    2.09, 3.86 A)
 &rst
  ixpk= 980, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1190,1191,1192,
 igr2=1061,1062,
 &end
#
#   79 THR  MG2          79 THR  HB          2.80    (#    983:20  Unique    2.41, 2.65 A)
 &rst
  ixpk= 983, nxpk= 20, iat=  -1,1258, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1260,1261,1262,
 &end
#
#    3 THR  MG2           3 THR  HB          2.80    (#    984:20  Unique    2.40, 2.66 A)
 &rst
  ixpk= 984, nxpk= 20, iat=  -1,  35, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=  37,  38,  39,
 &end
#
#   73 THR  MG2          73 THR  HB          2.80    (#    985:20  Unique    2.44, 2.67 A)
 &rst
  ixpk= 985, nxpk= 20, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1161,1162,1163,
 &end
#
#   20 THR  MG2          20 THR  HB          2.80    (#    986:20  Unique    2.42, 2.66 A)
 &rst
  ixpk= 986, nxpk= 20, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 310, 311, 312,
 &end
#
#    0 AMB  20-2:987     53 THR  HA          3.50    (#    987:20  Single Ambig)
 &rst
  ixpk= 987, nxpk= 20, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 858, 859, 860, 563, 564,
 &end
#
#    0 AMB  20-2:988     53 THR  HA          4.50    (#    988:20  Single Ambig)
 &rst
  ixpk= 988, nxpk= 20, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 569, 570, 566, 567,
 &end
#
#   20 THR  MG2          20 THR  HA          3.50    (#    989:20  Unique    2.42, 3.09 A)
 &rst
  ixpk= 989, nxpk= 20, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 310, 311, 312,
 &end
#
#   69 LYS  HG+          72 PRO  HA          4.50    (#    990:20  Unique    2.81, 3.74 A)
 &rst
  ixpk= 990, nxpk= 20, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1093,1094,
 &end
#
#   62 LYS  HB-          62 LYS  HA          4.50    (#    991:20  Unique    2.31, 2.70 A)
 &rst
  ixpk= 991, nxpk= 20, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 980, 981,
 &end
#
#    7 PRO  HG-           7 PRO  HD+         4.50    (#    992:20  Unique    2.33, 2.61 A)
 &rst
  ixpk= 992, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  95,  96,
 igr2=  92,  93,
 &end
#
#    7 PRO  HG-           7 PRO  HD-         3.50    (#    993:20  Unique    2.33, 2.61 A)
 &rst
  ixpk= 993, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  95,  96,
 igr2=  92,  93,
 &end
#
#    0 AMB  20-2:994      0 AMB  20-1:994    4.50    (#    994:20  Double Ambig)
 &rst
  ixpk= 994, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 706, 707, 706, 707,
 igr2= 709, 710, 709, 710,
 &end
#
#    0 AMB  20-2:995     44 ARG  HD-         4.50    (#    995:20  Single Ambig)
 &rst
  ixpk= 995, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 706, 707, 706, 707,
 igr2= 709, 710,
 &end
#
#    0 AMB  20-2:996     18 GLU  HA          2.80    (#    996:20  Single Ambig)
 &rst
  ixpk= 996, nxpk= 20, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 278, 279, 278, 279,
 &end
#
#    0 AMB  20-2:997      7 PRO  HD-         3.50    (#    997:20  Single Ambig)
 &rst
  ixpk= 997, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  95,  96,  84,  85,
 igr2=  92,  93,
 &end
#
#    0 AMB  20-2:998     39 ARG  HD-         3.50    (#    998:20  Single Ambig)
 &rst
  ixpk= 998, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 616, 617, 616, 617, 821, 822,
 igr2= 622, 623,
 &end
#
#    0 AMB  20-2:999     18 GLU  HA          3.50    (#    999:20  Single Ambig)
 &rst
  ixpk= 999, nxpk= 20, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 281, 282, 281, 282,
 &end
#
#    6 PRO  HB+           7 PRO  HD-         4.50    (#   1000:20  Unique    2.34, 3.64 A)
 &rst
  ixpk= 1000, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  84,  85,
 igr2=  92,  93,
 &end
#
#   76 MET  HG+          70 ILE  HA          7.00    (#   1001:20  Unique    6.97, 7.60 A)
 &rst
  ixpk= 1001, nxpk= 20, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1203,1204,
 &end
#
#   23 MET  HG+          23 MET  HA          3.50    (#   1002:20  Unique    2.39, 3.05 A)
 &rst
  ixpk= 1002, nxpk= 20, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 354, 355,
 &end
#
#   23 MET  HG-          23 MET  HA          3.50    (#   1003:20  Unique    2.39, 3.05 A)
 &rst
  ixpk= 1003, nxpk= 20, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 354, 355,
 &end
#
#   24 MET  HG+          24 MET  HA          2.80    (#   1004:20  Unique    2.45, 3.15 A)
 &rst
  ixpk= 1004, nxpk= 20, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 371, 372,
 &end
#
#   24 MET  HG-          24 MET  HA          3.50    (#   1005:20  Unique    2.45, 3.15 A)
 &rst
  ixpk= 1005, nxpk= 20, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 371, 372,
 &end
#
#    0 AMB  20-2:1006    27 MET  HA          3.50    (#   1006:20  Single Ambig)
 &rst
  ixpk= 1006, nxpk= 20, iat=  -1, 413, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 418, 419, 418, 419,
 &end
#
#    0 AMB  20-2:1007    76 MET  HA          3.50    (#   1007:20  Single Ambig)
 &rst
  ixpk= 1007, nxpk= 20, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1203,1204, 231, 232,
 &end
#
#   66 GLN  HG-          66 GLN  HA          3.50    (#   1008:20  Unique    2.22, 3.18 A)
 &rst
  ixpk= 1008, nxpk= 20, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1049,1050,
 &end
#
#   30 ASN  HB+          30 ASN  HA          2.80    (#   1009:20  Unique    2.20, 2.73 A)
 &rst
  ixpk= 1009, nxpk= 20, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 471, 472,
 &end
#
#   12 PHE  HB-          81 ALA  HA          3.50    (#   1010:20  Unique    2.54, 3.13 A)
 &rst
  ixpk= 1010, nxpk= 20, iat=  -1,1290, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 178, 179,
 &end
#
#   33 PRO  HB+          33 PRO  HA          3.50    (#   1011:20  Unique    2.27, 2.58 A)
 &rst
  ixpk= 1011, nxpk= 20, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 525, 526,
 &end
#
#   33 PRO  HG+          33 PRO  HA          4.50    (#   1012:20  Unique    2.84, 3.78 A)
 &rst
  ixpk= 1012, nxpk= 20, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 522, 523,
 &end
#
#    0 AMB  20-2:1013     3 THR  HA          4.50    (#   1013:20  Single Ambig)
 &rst
  ixpk= 1013, nxpk= 20, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  52,  53,  21,  22,
 &end
#
#    5 GLN  HG+           4 GLU  HA          5.50    (#   1014:20  Unique    3.53, 4.86 A)
 &rst
  ixpk= 1014, nxpk= 20, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  67,  68,
 &end
#
#   15 ASN  HB-          15 ASN  HA          3.50    (#   1015:20  Unique    2.51, 2.78 A)
 &rst
  ixpk= 1015, nxpk= 20, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 231, 232,
 &end
#
#   42 PRO  HB+          42 PRO  HA          2.80    (#   1018:20  Unique    2.31, 2.56 A)
 &rst
  ixpk= 1018, nxpk= 20, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 678, 679,
 &end
#
#    0 AMB  20-2:1019    22 GLU  HA          2.80    (#   1019:20  Single Ambig)
 &rst
  ixpk= 1019, nxpk= 20, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 339, 340, 339, 340,
 &end
#
#   24 MET  HB+          24 MET  HA          2.80    (#   1020:20  Unique    2.43, 2.77 A)
 &rst
  ixpk= 1020, nxpk= 20, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 368, 369,
 &end
#
#    0 AMB  20-2:1021     9 GLN  HA          4.50    (#   1021:20  Single Ambig)
 &rst
  ixpk= 1021, nxpk= 20, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 126, 127, 126, 127,
 &end
#
#    9 GLN  HB+           9 GLN  HA          3.50    (#   1022:20  Unique    2.33, 2.41 A)
 &rst
  ixpk= 1022, nxpk= 20, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 123, 124,
 &end
#
#   63 GLU  HG-          63 GLU  HA          3.50    (#   1023:20  Unique    2.44, 3.30 A)
 &rst
  ixpk= 1023, nxpk= 20, iat=  -1,1000, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1005,1006,
 &end
#
#   63 GLU  HG+          63 GLU  HA          3.50    (#   1024:20  Unique    2.44, 3.30 A)
 &rst
  ixpk= 1024, nxpk= 20, iat=  -1,1000, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1005,1006,
 &end
#
#    0 AMB  20-2:1025     0 AMB  20-1:1025   4.50    (#   1025:20  Double Ambig)
 &rst
  ixpk= 1025, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1200,1201, 368, 369,
 igr2=1198, 383,
 &end
#
#    0 AMB  20-2:1026    57 GLN  HA          2.80    (#   1026:20  Single Ambig)
 &rst
  ixpk= 1026, nxpk= 20, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 921, 922, 921, 922,
 &end
#
#    5 GLN  HG-          82 LYS  HA          4.50    (#   1027:20  Unique    2.33, 3.69 A)
 &rst
  ixpk= 1027, nxpk= 20, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  67,  68,
 &end
#
#   30 ASN  HB-          30 ASN  HA          3.50    (#   1028:20  Unique    2.20, 2.73 A)
 &rst
  ixpk= 1028, nxpk= 20, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 471, 472,
 &end
#
#   42 PRO  HB+          42 PRO  HD+         4.50    (#   1029:20  Unique    2.76, 3.66 A)
 &rst
  ixpk= 1029, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 678, 679,
 igr2= 672, 673,
 &end
#
#   42 PRO  HB+          42 PRO  HD-         4.50    (#   1030:20  Unique    2.76, 3.66 A)
 &rst
  ixpk= 1030, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 678, 679,
 igr2= 672, 673,
 &end
#
#   33 PRO  HG+          33 PRO  HD+         4.50    (#   1031:20  Unique    2.31, 2.60 A)
 &rst
  ixpk= 1031, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 522, 523,
 igr2= 519, 520,
 &end
#
#   33 PRO  HG+          33 PRO  HD-         4.50    (#   1032:20  Unique    2.31, 2.60 A)
 &rst
  ixpk= 1032, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 522, 523,
 igr2= 519, 520,
 &end
#
#    5 GLN  HG-           6 PRO  HD+         4.50    (#   1033:20  Unique    3.04, 4.85 A)
 &rst
  ixpk= 1033, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  67,  68,
 igr2=  78,  79,
 &end
#
#    5 GLN  HB+           6 PRO  HD+         2.80    (#   1034:20  Unique    2.11, 3.56 A)
 &rst
  ixpk= 1034, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  64,  65,
 igr2=  78,  79,
 &end
#
#   72 PRO  HB+          72 PRO  HD-         4.50    (#   1035:20  Unique    2.83, 3.68 A)
 &rst
  ixpk= 1035, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1148,1149,
 igr2=1142,1143,
 &end
#
#    5 GLN  HG-           6 PRO  HD+         4.50    (#   1036:20  Unique    3.04, 4.85 A)
 &rst
  ixpk= 1036, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  67,  68,
 igr2=  78,  79,
 &end
#
#   72 PRO  HB+          72 PRO  HA          2.80    (#   1037:20  Unique    2.28, 2.64 A)
 &rst
  ixpk= 1037, nxpk= 20, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1148,1149,
 &end
#
#    0 AMB  20-2:1039     0 AMB  20-1:1039   4.50    (#   1039:20  Double Ambig)
 &rst
  ixpk= 1039, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
 igr1= 146, 147, 146, 147, 149, 150, 151,
 igr2= 126, 127, 126, 127, 126, 127,
 &end
#
#   78 ILE  MD1          76 MET  HG+         4.50    (#   1040:20  Unique    2.89, 4.61 A)
 &rst
  ixpk= 1040, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1248,1249,1250,
 igr2=1203,1204,
 &end
#
#    0 AMB  20-2:1041     0 AMB  20-1:1041   4.50    (#   1041:20  Double Ambig)
 &rst
  ixpk= 1041, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1245,1246,1121,1122,1123,
 igr2=1203,1204,1203,1204,
 &end
#
#    0 AMB  20-2:1042     0 AMB  20-1:1042   4.50    (#   1042:20  Double Ambig)
 &rst
  ixpk= 1042, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 250, 251, 252, 254, 255, 256, 203, 204, 205, 207,
       208, 209,
 igr2=1203,1204,1203,1204,
 &end
#
#   78 ILE  MD1          76 MET  HG-         5.50    (#   1043:20  Unique    2.89, 4.61 A)
 &rst
  ixpk= 1043, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1248,1249,1250,
 igr2=1203,1204,
 &end
#
#   61 ALA  MB           61 ALA  HA          2.80    (#   1045:20  Unique    2.42, 2.65 A)
 &rst
  ixpk= 1045, nxpk= 20, iat=  -1, 968, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 970, 971, 972,
 &end
#
#   62 LYS  HD+          62 LYS  HE+         3.50    (#   1046:20  Unique    2.29, 2.71 A)
 &rst
  ixpk= 1046, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 986, 987,
 igr2= 989, 990,
 &end
#
#    0 AMB  20-2:1047     0 AMB  20-1:1047   2.80    (#   1047:20  Double Ambig)
 &rst
  ixpk= 1047, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 986, 987,1241,1242,1243,
 igr2= 989, 990, 989, 990,
 &end
#
#   62 LYS  HD+          62 LYS  HE-         3.50    (#   1048:20  Unique    2.29, 2.71 A)
 &rst
  ixpk= 1048, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 986, 987,
 igr2= 989, 990,
 &end
#
#    0 AMB  20-2:1049    62 LYS  HE-         2.80    (#   1049:20  Single Ambig)
 &rst
  ixpk= 1049, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 986, 987,1241,1242,1243,
 igr2= 989, 990,
 &end
#
#   38 VAL  MGY           0 AMB  20-1:1051   2.80    (#   1051:20  Single Ambig)
 &rst
  ixpk= 1051, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 602, 603, 604, 606, 607, 608,
 igr2= 339, 340, 339, 340,
 &end
#
#    0 AMB  20-2:1052     0 AMB  20-1:1052   2.80    (#   1052:20  Double Ambig)
 &rst
  ixpk= 1052, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 602, 603, 604, 606, 607, 608, 983, 984,
 igr2= 339, 340, 339, 340,1005,1006,
 &end
#
#   40 LEU  MDY           0 AMB  20-1:1053   3.50    (#   1053:20  Single Ambig)
 &rst
  ixpk= 1053, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 645, 646, 647, 649, 650, 651,
 igr2= 339, 340, 339, 340,
 &end
#
#   50 VAL  MGY          50 VAL  HB          2.80    (#   1054:20  Unique    2.42, 2.66 A)
 &rst
  ixpk= 1054, nxpk= 20, iat=  -1, 805, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 807, 808, 809, 811, 812, 813,
 &end
#
#   50 VAL  MGX          50 VAL  HB          3.50    (#   1055:20  Unique    2.42, 2.66 A)
 &rst
  ixpk= 1055, nxpk= 20, iat=  -1, 805, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 807, 808, 809, 811, 812, 813,
 &end
#
#   28 LEU  MDX          28 LEU  HG          3.50    (#   1057:20  Unique    2.44, 2.66 A)
 &rst
  ixpk= 1057, nxpk= 20, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 437, 438, 439, 441, 442, 443,
 &end
#
#   28 LEU  MDY          28 LEU  HG          3.50    (#   1058:20  Unique    2.44, 2.66 A)
 &rst
  ixpk= 1058, nxpk= 20, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 437, 438, 439, 441, 442, 443,
 &end
#
#   65 LEU  MDY          64 ALA  MB          4.50    (#   1059:20  Unique    3.70, 5.41 A)
 &rst
  ixpk= 1059, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2=1017,1018,1019,
 &end
#
#   28 LEU  MDY          28 LEU  HB-         3.50    (#   1060:20  Unique    2.41, 3.32 A)
 &rst
  ixpk= 1060, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 437, 438, 439, 441, 442, 443,
 igr2= 432, 433,
 &end
#
#    0 AMB  20-2:1061    28 LEU  HB-         3.50    (#   1061:20  Single Ambig)
 &rst
  ixpk= 1061, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 437, 438, 439, 441, 442, 443,1032,1033,1034,1036,
      1037,1038,
 igr2= 432, 433,
 &end
#
#   11 LEU  MDX          50 VAL  HB          3.50    (#   1062:20  Unique    2.78, 4.95 A)
 &rst
  ixpk= 1062, nxpk= 20, iat=  -1, 805, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 164, 165, 166, 168, 169, 170,
 &end
#
#   70 ILE  MD1          70 ILE  HG1-        3.50    (#   1063:20  Unique    2.36, 2.66 A)
 &rst
  ixpk= 1063, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1121,1122,1123,
 igr2=1118,1119,
 &end
#
#   36 LYS  HG-          36 LYS  HD+         3.50    (#   1064:20  Unique    2.35, 2.60 A)
 &rst
  ixpk= 1064, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 566, 567,
 igr2= 569, 570,
 &end
#
#    0 AMB  20-2:1065    69 LYS  HD-         2.80    (#   1065:20  Single Ambig)
 &rst
  ixpk= 1065, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1=1190,1191,1192,1093,1094,
 igr2=1096,1097,
 &end
#
#    0 AMB  20-2:1068     0 AMB  20-1:1068   2.80    (#   1068:20  Double Ambig)
 &rst
  ixpk= 1068, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1=1190,1191,1192,1093,1094,
 igr2=1096,1097,1096,1097,
 &end
#
#   13 LEU  MDX          13 LEU  HG          2.80    (#   1069:20  Unique    2.41, 2.66 A)
 &rst
  ixpk= 1069, nxpk= 20, iat=  -1, 201, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 203, 204, 205, 207, 208, 209,
 &end
#
#   40 LEU  MDY          40 LEU  HG          2.80    (#   1070:20  Unique    2.38, 2.66 A)
 &rst
  ixpk= 1070, nxpk= 20, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 645, 646, 647, 649, 650, 651,
 &end
#
#    0 AMB  20-2:1071     0 AMB  20-1:1071   2.80    (#   1071:20  Double Ambig)
 &rst
  ixpk= 1071, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 645, 646, 647, 649, 650, 651, 904, 905, 906, 908,
       909, 910,
 igr2= 643, 902,
 &end
#
#   78 ILE  MD1          78 ILE  HG1-        4.50    (#   1073:20  Unique    2.32, 2.64 A)
 &rst
  ixpk= 1073, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1248,1249,1250,
 igr2=1245,1246,
 &end
#
#    0 AMB  20-2:1074     0 AMB  20-1:1074   3.50    (#   1074:20  Double Ambig)
 &rst
  ixpk= 1074, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 267, 268,1114,1115,1116,
 igr2= 264, 265, 264, 265, 264, 265,
 &end
#
#    0 AMB  20-2:1075     0 AMB  20-1:1075   3.50    (#   1075:20  Double Ambig)
 &rst
  ixpk= 1075, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 267, 268,1114,1115,1116,
 igr2= 264, 265, 264, 265, 264, 265,
 &end
#
#    0 AMB  20-2:1077    11 LEU  HG          4.50    (#   1077:20  Single Ambig)
 &rst
  ixpk= 1077, nxpk= 20, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1241,1242,1243, 164, 165, 166, 168, 169, 170,
 &end
#
#   11 LEU  MDX          11 LEU  HG          5.50    (#   1078:20  Unique    2.38, 2.66 A)
 &rst
  ixpk= 1078, nxpk= 20, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 164, 165, 166, 168, 169, 170,
 &end
#
#    0 AMB  20-2:1080     0 AMB  20-1:1080   5.50    (#   1080:20  Double Ambig)
 &rst
  ixpk= 1080, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 igr2= 706, 707, 706, 707, 706, 707,
 &end
#
#   28 LEU  HB+          28 LEU  HG          4.50    (#   1081:20  Unique    2.51, 2.79 A)
 &rst
  ixpk= 1081, nxpk= 20, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 432, 433,
 &end
#
#   61 ALA  MB           64 ALA  MB          4.50    (#   1096:20  Unique    4.30, 5.74 A)
 &rst
  ixpk= 1096, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 970, 971, 972,
 igr2=1017,1018,1019,
 &end
#
#    0 AMB  20-2:1098     0 AMB  20-1:1098   3.50    (#   1098:20  Double Ambig)
 &rst
  ixpk= 1098, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 250, 251, 252, 254, 255, 256, 203, 204, 205, 207,
       208, 209,
 igr2= 198, 199, 198, 199,
 &end
#
#   40 LEU  MDY          40 LEU  HB+         4.50    (#   1102:20  Unique    2.30, 3.34 A)
 &rst
  ixpk= 1102, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 645, 646, 647, 649, 650, 651,
 igr2= 640, 641,
 &end
#
#    0 AMB  20-2:1103     0 AMB  20-1:1103   2.80    (#   1103:20  Double Ambig)
 &rst
  ixpk= 1103, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 904, 905, 906, 908, 909, 910, 765, 766, 767,
 igr2= 899, 900, 756,
 &end
#
#   56 LEU  MDX          56 LEU  HB-         2.80    (#   1104:20  Unique    2.42, 3.47 A)
 &rst
  ixpk= 1104, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 904, 905, 906, 908, 909, 910,
 igr2= 899, 900,
 &end
#
#   40 LEU  MDX          40 LEU  HB+         3.50    (#   1105:20  Unique    2.30, 3.34 A)
 &rst
  ixpk= 1105, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 645, 646, 647, 649, 650, 651,
 igr2= 640, 641,
 &end
#
#   78 ILE  MD1          78 ILE  HB          3.50    (#   1106:20  Unique    2.46, 3.20 A)
 &rst
  ixpk= 1106, nxpk= 20, iat=  -1,1239, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1248,1249,1250,
 &end
#
#   78 ILE  MG2          78 ILE  HB          3.50    (#   1107:20  Unique    2.41, 2.66 A)
 &rst
  ixpk= 1107, nxpk= 20, iat=  -1,1239, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1241,1242,1243,
 &end
#
#   10 ILE  MG2          10 ILE  HB          3.50    (#   1108:20  Unique    2.43, 2.68 A)
 &rst
  ixpk= 1108, nxpk= 20, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 142, 143, 144,
 &end
#
#    0 AMB  20-2:1109    10 ILE  HB          3.50    (#   1109:20  Single Ambig)
 &rst
  ixpk= 1109, nxpk= 20, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 146, 147, 149, 150, 151,
 &end
#
#   40 LEU  MDX          22 GLU  HB+         4.50    (#   1114:20  Unique    2.63, 4.85 A)
 &rst
  ixpk= 1114, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 645, 646, 647, 649, 650, 651,
 igr2= 336, 337,
 &end
#
#    0 AMB  20-2:1118    62 LYS  HB-         4.50    (#   1118:20  Single Ambig)
 &rst
  ixpk= 1118, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
 igr1= 986, 987,1241,1242,1243, 164, 165, 166, 168, 169,
       170,
 igr2= 980, 981,
 &end
#
#    0 AMB  20-2:1120     0 AMB  20-1:1120   4.50    (#   1120:20  Double Ambig)
 &rst
  ixpk= 1120, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
 igr1= 149, 150, 151, 146, 147, 146, 147,
 igr2=1327,1328,1327,1328,1327,1328,
 &end
#
#   78 ILE  MG2          79 THR  MG2         5.50    (#   1122:20  Unique    5.57, 7.28 A)
 &rst
  ixpk= 1122, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1241,1242,1243,
 igr2=1260,1261,1262,
 &end
#
#    0 AMB  20-2:1123    81 ALA  MB          4.50    (#   1123:20  Single Ambig)
 &rst
  ixpk= 1123, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 146, 147, 149, 150, 151,
 igr2=1292,1293,1294,
 &end
#
#    0 AMB  20-2:1124     0 AMB  20-1:1124   3.50    (#   1124:20  Double Ambig)
 &rst
  ixpk= 1124, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 250, 251, 252, 254, 255, 256, 203, 204, 205, 207,
       208, 209,1241,1242,1243,
 igr2= 198, 199, 159, 160,
 &end
#
#   25 LEU  HG           25 LEU  HB-         4.50    (#   1125:20  Unique    2.34, 2.70 A)
 &rst
  ixpk= 1125, nxpk= 20, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 385, 386,
 &end
#
#   36 LYS  HG-          36 LYS  HD-         2.80    (#   1129:20  Unique    2.35, 2.60 A)
 &rst
  ixpk= 1129, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 566, 567,
 igr2= 569, 570,
 &end
#
#   10 ILE  MG2          81 ALA  MB          2.80    (#   1131:20  Unique    2.46, 3.76 A)
 &rst
  ixpk= 1131, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 142, 143, 144,
 igr2=1292,1293,1294,
 &end
#
#    0 AMB  20-2:1136     0 AMB  20-1:1136   2.80    (#   1136:20  Double Ambig)
 &rst
  ixpk= 1136, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1= 645, 646, 647, 649, 650, 651, 203, 204, 205, 207,
       208, 209,
 igr2= 775, 776, 777, 310, 311, 312,
 &end
#
#    0 AMB  20-2:1137     0 AMB  20-1:1137   3.50    (#   1137:20  Double Ambig)
 &rst
  ixpk= 1137, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 807, 808, 809, 811, 812, 813, 248,
 igr2= 775, 776, 777, 310, 311, 312,
 &end
#
#   25 LEU  HG           20 THR  MG2         2.80    (#   1138:20  Unique    2.37, 2.83 A)
 &rst
  ixpk= 1138, nxpk= 20, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 310, 311, 312,
 &end
#
#    0 AMB  20-2:1139    38 VAL  MGX         3.50    (#   1139:20  Single Ambig)
 &rst
  ixpk= 1139, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 390, 391, 392, 394, 395, 396, 645, 646, 647, 649,
       650, 651,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   25 LEU  HG           38 VAL  MGX         3.50    (#   1140:20  Unique    3.76, 5.22 A)
 &rst
  ixpk= 1140, nxpk= 20, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   50 VAL  MGY          38 VAL  MGX         3.50    (#   1141:20  Unique    2.24, 5.02 A)
 &rst
  ixpk= 1141, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 807, 808, 809, 811, 812, 813,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   50 VAL  MGX          38 VAL  MGX         3.50    (#   1142:20  Unique    2.24, 5.02 A)
 &rst
  ixpk= 1142, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 807, 808, 809, 811, 812, 813,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   40 LEU  MDY          38 VAL  MGY         2.80    (#   1143:20  Unique    2.79, 6.69 A)
 &rst
  ixpk= 1143, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 645, 646, 647, 649, 650, 651,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   40 LEU  MDY          38 VAL  MGY         2.80    (#   1144:20  Unique    2.79, 6.69 A)
 &rst
  ixpk= 1144, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 645, 646, 647, 649, 650, 651,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   25 LEU  HG           38 VAL  MGY         3.50    (#   1145:20  Unique    3.76, 5.22 A)
 &rst
  ixpk= 1145, nxpk= 20, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   50 VAL  MGX          38 VAL  MGY         3.50    (#   1146:20  Unique    2.24, 5.02 A)
 &rst
  ixpk= 1146, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 807, 808, 809, 811, 812, 813,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  20-2:1147    10 ILE  MG2         2.80    (#   1147:20  Single Ambig)
 &rst
  ixpk= 1147, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 149, 150, 151, 146, 147,
 igr2= 142, 143, 144,
 &end
#
#   16 LEU  MDX          70 ILE  MD1         3.50    (#   1149:20  Unique    2.26, 4.32 A)
 &rst
  ixpk= 1149, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 250, 251, 252, 254, 255, 256,
 igr2=1121,1122,1123,
 &end
#
#   28 LEU  MDY          28 LEU  HB+         2.80    (#   1150:20  Unique    2.41, 3.32 A)
 &rst
  ixpk= 1150, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 437, 438, 439, 441, 442, 443,
 igr2= 432, 433,
 &end
#
#    0 AMB  20-2:1151     0 AMB  20-1:1151   3.50    (#   1151:20  Double Ambig)
 &rst
  ixpk= 1151, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 437, 438, 439, 441, 442, 443,1032,1033,1034,1036,
      1037,1038,
 igr2= 432, 433, 432, 433,
 &end
#
#   65 LEU  MDY          65 LEU  HG          3.50    (#   1152:20  Unique    2.44, 2.67 A)
 &rst
  ixpk= 1152, nxpk= 20, iat=  -1,1030, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#   50 VAL  MGX          13 LEU  MDY         3.50    (#   1153:20  Unique    2.23, 4.91 A)
 &rst
  ixpk= 1153, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 807, 808, 809, 811, 812, 813,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   50 VAL  MGX          13 LEU  MDX         3.50    (#   1154:20  Unique    2.23, 4.91 A)
 &rst
  ixpk= 1154, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 807, 808, 809, 811, 812, 813,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   65 LEU  MDX          61 ALA  MB          4.50    (#   1155:20  Unique    3.36, 6.57 A)
 &rst
  ixpk= 1155, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2= 970, 971, 972,
 &end
#
#   65 LEU  MDX          78 ILE  MD1         4.50    (#   1156:20  Unique    4.00, 5.90 A)
 &rst
  ixpk= 1156, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2=1248,1249,1250,
 &end
#
#   65 LEU  MDX          28 LEU  HB+         4.50    (#   1157:20  Unique    2.59, 4.60 A)
 &rst
  ixpk= 1157, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2= 432, 433,
 &end
#
#   65 LEU  MDX          65 LEU  HG          4.50    (#   1158:20  Unique    2.44, 2.67 A)
 &rst
  ixpk= 1158, nxpk= 20, iat=  -1,1030, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#   65 LEU  MDX          64 ALA  MB          4.50    (#   1159:20  Unique    3.70, 5.41 A)
 &rst
  ixpk= 1159, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2=1017,1018,1019,
 &end
#
#   65 LEU  MDX           0 AMB  20-1:1161   4.50    (#   1161:20  Single Ambig)
 &rst
  ixpk= 1161, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2=1027,1028,1027,1028,
 &end
#
#   65 LEU  MDX           0 AMB  20-1:1162   4.50    (#   1162:20  Single Ambig)
 &rst
  ixpk= 1162, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2=1027,1028,1027,1028,
 &end
#
#   65 LEU  MDX          29 PHE  HA          4.50    (#   1163:20  Unique    3.12, 4.92 A)
 &rst
  ixpk= 1163, nxpk= 20, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#   65 LEU  MDX          28 LEU  HA          4.50    (#   1164:20  Unique    4.35, 5.52 A)
 &rst
  ixpk= 1164, nxpk= 20, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#   65 LEU  MDX          65 LEU  HA          4.50    (#   1165:20  Unique    2.16, 3.80 A)
 &rst
  ixpk= 1165, nxpk= 20, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#   28 LEU  MDY          25 LEU  HA          4.50    (#   1166:20  Unique    2.60, 4.78 A)
 &rst
  ixpk= 1166, nxpk= 20, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 437, 438, 439, 441, 442, 443,
 &end
#
#   16 LEU  HG           16 LEU  HA          4.50    (#   1167:20  Unique    3.34, 3.41 A)
 &rst
  ixpk= 1167, nxpk= 20, iat= 248, 243, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 THR  MG2          47 ILE  HB          5.50    (#   1168:20  Unique    2.39, 3.67 A)
 &rst
  ixpk= 1168, nxpk= 20, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 219, 220, 221,
 &end
#
#    7 PRO  HD-           6 PRO  HB-         3.50    (#   1169:20  Unique    2.34, 3.64 A)
 &rst
  ixpk= 1169, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  92,  93,
 igr2=  84,  85,
 &end
#
#    7 PRO  HD-           7 PRO  HG+         3.50    (#   1170:20  Unique    2.33, 2.61 A)
 &rst
  ixpk= 1170, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  92,  93,
 igr2=  95,  96,
 &end
#
#    7 PRO  HD-           7 PRO  HG-         3.50    (#   1171:20  Unique    2.33, 2.61 A)
 &rst
  ixpk= 1171, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  92,  93,
 igr2=  95,  96,
 &end
#
#   39 ARG  HD-          39 ARG  HG+         3.50    (#   1172:20  Unique    2.22, 2.71 A)
 &rst
  ixpk= 1172, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 622, 623,
 igr2= 619, 620,
 &end
#
#   39 ARG  HD-          39 ARG  HG-         3.50    (#   1174:20  Unique    2.22, 2.71 A)
 &rst
  ixpk= 1174, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 622, 623,
 igr2= 619, 620,
 &end
#
#    0 AMB  20-2:1175     0 AMB  20-1:1175   3.50    (#   1175:20  Double Ambig)
 &rst
  ixpk= 1175, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 709, 710, 709, 710,
 igr2= 706, 707, 706, 707,
 &end
#
#   44 ARG  HD-           0 AMB  20-1:1176   3.50    (#   1176:20  Single Ambig)
 &rst
  ixpk= 1176, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 709, 710,
 igr2= 706, 707, 706, 707,
 &end
#
#    8 ASN  HB+          81 ALA  MB          5.50    (#   1177:20  Unique    4.55, 6.29 A)
 &rst
  ixpk= 1177, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 109, 110,
 igr2=1292,1293,1294,
 &end
#
#   12 PHE  HZ           47 ILE  HB          4.50    (#   1180:20  Unique    2.75, 2.94 A)
 &rst
  ixpk= 1180, nxpk= 20, iat= 186, 756, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   78 ILE  HN           77 LYS  HB+         5.50    (#   1181:20  Unique    2.83, 3.93 A)
 &rst
  ixpk= 1181, nxpk= 20, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1217,1218,
 &end
#
#   45 HIS  HB-          18 GLU  HA          4.50    (#   1184:20  Unique    2.35, 3.09 A)
 &rst
  ixpk= 1184, nxpk= 20, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 727, 728,
 &end
#
#   45 HIS  HB+          18 GLU  HA          4.50    (#   1185:20  Unique    2.35, 3.09 A)
 &rst
  ixpk= 1185, nxpk= 20, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 727, 728,
 &end
#
#   42 PRO  HG-          42 PRO  HA          4.50    (#   1190:20  Unique    2.74, 3.84 A)
 &rst
  ixpk= 1190, nxpk= 20, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 675, 676,
 &end
#
#   42 PRO  HB-          42 PRO  HA          3.50    (#   1191:20  Unique    2.31, 2.56 A)
 &rst
  ixpk= 1191, nxpk= 20, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 678, 679,
 &end
#
#   76 MET  ME           70 ILE  HA          4.50    (#   1192:20  Unique    4.49, 5.39 A)
 &rst
  ixpk= 1192, nxpk= 20, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1207,1208,1209,
 &end
#
#    0 AMB  20-2:1193    70 ILE  HA          2.80    (#   1193:20  Single Ambig)
 &rst
  ixpk= 1193, nxpk= 20, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1118,1119,1112,
 &end
#
#    0 AMB  20-2:1195    17 PRO  HA          3.50    (#   1195:20  Single Ambig)
 &rst
  ixpk= 1195, nxpk= 20, iat=  -1, 270, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 281, 282, 281, 282,
 &end
#
#    0 AMB  20-2:1196    17 PRO  HA          4.50    (#   1196:20  Single Ambig)
 &rst
  ixpk= 1196, nxpk= 20, iat=  -1, 270, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 278, 279, 278, 279, 245, 246,
 &end
#
#   22 GLU  HB+          22 GLU  HA          2.80    (#   1197:20  Unique    2.51, 2.80 A)
 &rst
  ixpk= 1197, nxpk= 20, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 336, 337,
 &end
#
#   23 MET  HB+          23 MET  HA          2.80    (#   1200:20  Unique    2.42, 2.77 A)
 &rst
  ixpk= 1200, nxpk= 20, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 351, 352,
 &end
#
#   23 MET  HB-          23 MET  HA          2.80    (#   1201:20  Unique    2.42, 2.77 A)
 &rst
  ixpk= 1201, nxpk= 20, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 351, 352,
 &end
#
#    0 AMB  20-2:1202    24 MET  HA          2.80    (#   1202:20  Single Ambig)
 &rst
  ixpk= 1202, nxpk= 20, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1= 422, 423, 424, 368, 369,
 &end
#
#    9 GLN  HB-           9 GLN  HA          3.50    (#   1203:20  Unique    2.33, 2.41 A)
 &rst
  ixpk= 1203, nxpk= 20, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 123, 124,
 &end
#
#    0 AMB  20-2:1205     0 AMB  20-1:1205   3.50    (#   1205:20  Double Ambig)
 &rst
  ixpk= 1205, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1049,1050,1002,1003,
 igr2=1044,1000,
 &end
#
#    0 AMB  20-2:1206     0 AMB  20-1:1206   2.80    (#   1206:20  Double Ambig)
 &rst
  ixpk= 1206, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 415, 416, 415, 416, 296, 297, 296, 297,
 igr2= 413, 291,
 &end
#
#   55 GLU  HG-          55 GLU  HA          3.50    (#   1207:20  Unique    2.59, 3.08 A)
 &rst
  ixpk= 1207, nxpk= 20, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 887, 888,
 &end
#
#    0 AMB  20-2:1208    56 LEU  HA          2.80    (#   1208:20  Single Ambig)
 &rst
  ixpk= 1208, nxpk= 20, iat=  -1, 897, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 899, 900, 902,
 &end
#
#    0 AMB  20-2:1210     0 AMB  20-1:1210   3.50    (#   1210:20  Double Ambig)
 &rst
  ixpk= 1210, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1200,1201, 123, 124,
 igr2=1198, 882,
 &end
#
#   66 GLN  HB-          66 GLN  HA          3.50    (#   1211:20  Unique    2.47, 2.84 A)
 &rst
  ixpk= 1211, nxpk= 20, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1046,1047,
 &end
#
#   66 GLN  HG+          66 GLN  HA          3.50    (#   1212:20  Unique    2.22, 3.18 A)
 &rst
  ixpk= 1212, nxpk= 20, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1049,1050,
 &end
#
#    0 AMB  20-2:1213    19 GLU  HA          3.50    (#   1213:20  Single Ambig)
 &rst
  ixpk= 1213, nxpk= 20, iat=  -1, 291, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 296, 297, 296, 297,
 &end
#
#   19 GLU  HB-          19 GLU  HA          2.80    (#   1214:20  Unique    2.42, 2.72 A)
 &rst
  ixpk= 1214, nxpk= 20, iat=  -1, 291, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 293, 294,
 &end
#
#   19 GLU  HB+          19 GLU  HA          2.80    (#   1215:20  Unique    2.42, 2.72 A)
 &rst
  ixpk= 1215, nxpk= 20, iat=  -1, 291, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 293, 294,
 &end
#
#   76 MET  ME           25 LEU  HA          4.50    (#   1216:20  Unique    4.01, 4.85 A)
 &rst
  ixpk= 1216, nxpk= 20, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1207,1208,1209,
 &end
#
#    0 AMB  20-2:1220    31 GLN  HA          3.50    (#   1220:20  Single Ambig)
 &rst
  ixpk= 1220, nxpk= 20, iat=  -1, 483, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 488, 489, 488, 489,
 &end
#
#   31 GLN  HB+          31 GLN  HA          2.80    (#   1221:20  Unique    2.36, 2.72 A)
 &rst
  ixpk= 1221, nxpk= 20, iat=  -1, 483, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 485, 486,
 &end
#
#   37 GLU  HB+          37 GLU  HA          2.80    (#   1222:20  Unique    2.52, 2.83 A)
 &rst
  ixpk= 1222, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 585, 586,
 &end
#
#   62 LYS  HB+          60 ALA  HA          5.50    (#   1223:20  Unique    5.01, 5.87 A)
 &rst
  ixpk= 1223, nxpk= 20, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 980, 981,
 &end
#
#   42 PRO  HB-          42 PRO  HD-         4.50    (#   1224:20  Unique    2.76, 3.66 A)
 &rst
  ixpk= 1224, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 678, 679,
 igr2= 672, 673,
 &end
#
#   42 PRO  HG-          42 PRO  HD+         3.50    (#   1225:20  Unique    2.32, 2.61 A)
 &rst
  ixpk= 1225, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 675, 676,
 igr2= 672, 673,
 &end
#
#   42 PRO  HB-          42 PRO  HD+         5.50    (#   1226:20  Unique    2.76, 3.66 A)
 &rst
  ixpk= 1226, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 678, 679,
 igr2= 672, 673,
 &end
#
#   33 PRO  HG-          33 PRO  HD+         4.50    (#   1227:20  Unique    2.31, 2.60 A)
 &rst
  ixpk= 1227, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 522, 523,
 igr2= 519, 520,
 &end
#
#    6 PRO  HG+           6 PRO  HD+         2.80    (#   1228:20  Unique    2.35, 2.62 A)
 &rst
  ixpk= 1228, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  81,  82,
 igr2=  78,  79,
 &end
#
#    0 AMB  20-2:1230     0 AMB  20-1:1230   3.50    (#   1230:20  Double Ambig)
 &rst
  ixpk= 1230, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1145,1146,1145,1146,1148,1149,
 igr2=1142,1143,1142,1143,1142,1143,
 &end
#
#   24 MET  HB-          20 THR  HA          3.50    (#   1233:20  Unique    3.40, 3.99 A)
 &rst
  ixpk= 1233, nxpk= 20, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 368, 369,
 &end
#
#    0 AMB  20-2:1235    72 PRO  HA          2.80    (#   1235:20  Single Ambig)
 &rst
  ixpk= 1235, nxpk= 20, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1148,1149,1145,1146,1145,1146,
 &end
#
#   44 ARG  HN           42 PRO  HA          4.50    (#   1236:20  Unique    3.41, 4.11 A)
 &rst
  ixpk= 1236, nxpk= 20, iat= 699, 681, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   43 ASN  HA           42 PRO  HA          4.50    (#   1237:20  Unique    4.23, 4.37 A)
 &rst
  ixpk= 1237, nxpk= 20, iat= 687, 681, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 PRO  HG+          42 PRO  HA          3.50    (#   1239:20  Unique    2.74, 3.84 A)
 &rst
  ixpk= 1239, nxpk= 20, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 675, 676,
 &end
#
#   42 PRO  HD+          42 PRO  HA          5.50    (#   1240:20  Unique    3.37, 3.79 A)
 &rst
  ixpk= 1240, nxpk= 20, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 672, 673,
 &end
#
#    0 AMB  20-2:1241     0 AMB  20-1:1241   4.50    (#   1241:20  Double Ambig)
 &rst
  ixpk= 1241, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1108,1213,
 igr2=1200,1201,1200,1201,
 &end
#
#   50 VAL  HA           50 VAL  HB          5.50    (#   1244:20  Unique    3.03, 3.05 A)
 &rst
  ixpk= 1244, nxpk= 20, iat= 803, 805, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:1246    76 MET  HB-         4.50    (#   1246:20  Single Ambig)
 &rst
  ixpk= 1246, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1108,1213,
 igr2=1200,1201,
 &end
#
#   33 PRO  HG-          33 PRO  HA          4.50    (#   1249:20  Unique    2.84, 3.78 A)
 &rst
  ixpk= 1249, nxpk= 20, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 522, 523,
 &end
#
#   24 MET  HN           24 MET  HB-         3.50    (#   1250:20  Unique    2.47, 3.11 A)
 &rst
  ixpk= 1250, nxpk= 20, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 368, 369,
 &end
#
#   24 MET  HG+          24 MET  HB+         4.50    (#   1251:20  Unique    2.33, 2.65 A)
 &rst
  ixpk= 1251, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 371, 372,
 igr2= 368, 369,
 &end
#
#    9 GLN  HA            0 AMB  20-1:1252   3.50    (#   1252:20  Single Ambig)
 &rst
  ixpk= 1252, nxpk= 20, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 126, 127, 126, 127,
 &end
#
#    2 GLN  HB-           2 GLN  HG+         2.80    (#   1253:20  Unique    2.30, 2.72 A)
 &rst
  ixpk= 1253, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  18,  19,
 igr2=  21,  22,
 &end
#
#    0 AMB  20-2:1254     0 AMB  20-1:1254   2.80    (#   1254:20  Double Ambig)
 &rst
  ixpk= 1254, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  18,  19, 123, 124,
 igr2=  21,  22, 126, 127, 126, 127,
 &end
#
#    6 PRO  HA            7 PRO  HD+         3.50    (#   1256:20  Unique    2.12, 2.49 A)
 &rst
  ixpk= 1256, nxpk= 20, iat=  87,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  92,  93,
 &end
#
#    6 PRO  HB+           7 PRO  HD+         4.50    (#   1258:20  Unique    2.34, 3.64 A)
 &rst
  ixpk= 1258, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  84,  85,
 igr2=  92,  93,
 &end
#
#    7 PRO  HA            7 PRO  HD-         5.50    (#   1259:20  Unique    3.45, 3.72 A)
 &rst
  ixpk= 1259, nxpk= 20, iat= 101,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  92,  93,
 &end
#
#    7 PRO  HB-           7 PRO  HD-         5.50    (#   1260:20  Unique    2.86, 3.70 A)
 &rst
  ixpk= 1260, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  98,  99,
 igr2=  92,  93,
 &end
#
#    7 PRO  HA            7 PRO  HD+         5.50    (#   1261:20  Unique    3.45, 3.72 A)
 &rst
  ixpk= 1261, nxpk= 20, iat= 101,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  92,  93,
 &end
#
#    7 PRO  HB-           7 PRO  HD+         5.50    (#   1262:20  Unique    2.86, 3.70 A)
 &rst
  ixpk= 1262, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  98,  99,
 igr2=  92,  93,
 &end
#
#    0 AMB  20-2:1263     0 AMB  20-1:1263   3.50    (#   1263:20  Double Ambig)
 &rst
  ixpk= 1263, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=  95,  96,  84,  85,
 igr2=  92,  93,  92,  93,
 &end
#
#   42 PRO  HA           41 VAL  MGX         5.50    (#   1264:20  Unique    4.63, 6.35 A)
 &rst
  ixpk= 1264, nxpk= 20, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   41 VAL  HA           41 VAL  MGX         2.80    (#   1265:20  Unique    2.40, 3.14 A)
 &rst
  ixpk= 1265, nxpk= 20, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   37 GLU  HN           38 VAL  MGX         4.50    (#   1267:20  Unique    4.68, 6.55 A)
 &rst
  ixpk= 1267, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   35 PHE  HD           38 VAL  MGX         4.50    (#   1268:20  Unique    4.13, 7.37 A)
 &rst
  ixpk= 1268, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 547, 555,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   51 GLU  HN           38 VAL  MGX         4.50    (#   1270:20  Unique    3.89, 5.97 A)
 &rst
  ixpk= 1270, nxpk= 20, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   22 GLU  HN           38 VAL  MGY         5.50    (#   1271:20  Unique    5.18, 7.02 A)
 &rst
  ixpk= 1271, nxpk= 20, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   51 GLU  HN           38 VAL  MGY         4.50    (#   1272:20  Unique    3.89, 5.97 A)
 &rst
  ixpk= 1272, nxpk= 20, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  20-2:1273    38 VAL  MGY         2.80    (#   1273:20  Single Ambig)
 &rst
  ixpk= 1273, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 339, 340, 339, 340,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   38 VAL  HB           38 VAL  MGY         2.80    (#   1274:20  Unique    2.37, 2.65 A)
 &rst
  ixpk= 1274, nxpk= 20, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  20-2:1275    38 VAL  MGY         3.50    (#   1275:20  Single Ambig)
 &rst
  ixpk= 1275, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 588, 589, 640, 641, 616, 617,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   40 LEU  HG           38 VAL  MGY         4.50    (#   1276:20  Unique    2.81, 5.63 A)
 &rst
  ixpk= 1276, nxpk= 20, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   50 VAL  MGY          38 VAL  MGY         3.50    (#   1277:20  Unique    2.24, 5.02 A)
 &rst
  ixpk= 1277, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 807, 808, 809, 811, 812, 813,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  20-2:1278    38 VAL  MGX         3.50    (#   1278:20  Single Ambig)
 &rst
  ixpk= 1278, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 339, 340, 339, 340,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   38 VAL  HB           38 VAL  MGX         2.80    (#   1279:20  Unique    2.37, 2.65 A)
 &rst
  ixpk= 1279, nxpk= 20, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#    6 PRO  HG-           6 PRO  HD+         2.80    (#   1281:20  Unique    2.35, 2.62 A)
 &rst
  ixpk= 1281, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  81,  82,
 igr2=  78,  79,
 &end
#
#    0 AMB  20-2:1283    54 THR  MG2         4.50    (#   1283:20  Single Ambig)
 &rst
  ixpk= 1283, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 921, 922, 921, 922,
 igr2= 872, 873, 874,
 &end
#
#    0 AMB  20-2:1284    54 THR  MG2         4.50    (#   1284:20  Single Ambig)
 &rst
  ixpk= 1284, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
 igr1= 899, 900, 902, 884, 885, 884, 885,
 igr2= 872, 873, 874,
 &end
#
#   56 LEU  HB-          54 THR  MG2         4.50    (#   1285:20  Unique    4.57, 6.22 A)
 &rst
  ixpk= 1285, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 899, 900,
 igr2= 872, 873, 874,
 &end
#
#   53 THR  MG2          54 THR  MG2         2.80    (#   1286:20  Unique    2.24, 4.16 A)
 &rst
  ixpk= 1286, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 858, 859, 860,
 igr2= 872, 873, 874,
 &end
#
#   61 ALA  HA           64 ALA  MB          3.50    (#   1287:20  Unique    2.43, 3.31 A)
 &rst
  ixpk= 1287, nxpk= 20, iat= 968,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1017,1018,1019,
 &end
#
#   63 GLU  HA           64 ALA  MB          5.50    (#   1288:20  Unique    5.70, 6.07 A)
 &rst
  ixpk= 1288, nxpk= 20, iat=1000,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1017,1018,1019,
 &end
#
#   65 LEU  HG           64 ALA  MB          3.50    (#   1289:20  Unique    2.59, 3.38 A)
 &rst
  ixpk= 1289, nxpk= 20, iat=1030,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1017,1018,1019,
 &end
#
#    0 AMB  20-2:1290    53 THR  MG2         4.50    (#   1290:20  Single Ambig)
 &rst
  ixpk= 1290, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 572, 573, 572, 573,
 igr2= 858, 859, 860,
 &end
#
#   17 PRO  HD+          20 THR  MG2         4.50    (#   1291:20  Unique    3.89, 5.52 A)
 &rst
  ixpk= 1291, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 261, 262,
 igr2= 310, 311, 312,
 &end
#
#   17 PRO  HD-          20 THR  MG2         5.50    (#   1292:20  Unique    3.89, 5.52 A)
 &rst
  ixpk= 1292, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 261, 262,
 igr2= 310, 311, 312,
 &end
#
#   24 MET  HB-          20 THR  MG2         2.80    (#   1293:20  Unique    2.46, 3.83 A)
 &rst
  ixpk= 1293, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 368, 369,
 igr2= 310, 311, 312,
 &end
#
#   25 LEU  MDY          20 THR  MG2         2.80    (#   1294:20  Unique    2.28, 3.99 A)
 &rst
  ixpk= 1294, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 310, 311, 312,
 &end
#
#   24 MET  HB+          20 THR  MG2         4.50    (#   1295:20  Unique    2.46, 3.83 A)
 &rst
  ixpk= 1295, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 368, 369,
 igr2= 310, 311, 312,
 &end
#
#   49 PHE  HA           50 VAL  MGX         4.50    (#   1297:20  Unique    3.20, 5.47 A)
 &rst
  ixpk= 1297, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   29 PHE  HB+          50 VAL  MGX         5.50    (#   1299:20  Unique    3.17, 4.92 A)
 &rst
  ixpk= 1299, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 451, 452,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   49 PHE  HB+          50 VAL  MGX         5.50    (#   1300:20  Unique    4.92, 6.68 A)
 &rst
  ixpk= 1300, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 785, 786,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   29 PHE  HB-          50 VAL  MGX         4.50    (#   1301:20  Unique    3.17, 4.92 A)
 &rst
  ixpk= 1301, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 451, 452,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   38 VAL  HB           50 VAL  MGX         4.50    (#   1302:20  Unique    2.35, 5.65 A)
 &rst
  ixpk= 1302, nxpk= 20, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#    0 AMB  20-2:1303    50 VAL  MGX         3.50    (#   1303:20  Single Ambig)
 &rst
  ixpk= 1303, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 390, 391, 392, 394, 395, 396, 159, 160,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   50 VAL  HB           50 VAL  MGX         2.80    (#   1304:20  Unique    2.42, 2.66 A)
 &rst
  ixpk= 1304, nxpk= 20, iat= 805,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#    0 AMB  20-2:1305    50 VAL  MGX         3.50    (#   1305:20  Single Ambig)
 &rst
  ixpk= 1305, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 198, 199, 385, 386, 159, 160,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   38 VAL  MGX          50 VAL  MGX         2.80    (#   1306:20  Unique    2.24, 5.02 A)
 &rst
  ixpk= 1306, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 602, 603, 604, 606, 607, 608,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   38 VAL  MGY          50 VAL  MGX         3.50    (#   1307:20  Unique    2.24, 5.02 A)
 &rst
  ixpk= 1307, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 602, 603, 604, 606, 607, 608,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   13 LEU  MDY          50 VAL  MGX         2.80    (#   1308:20  Unique    2.23, 4.91 A)
 &rst
  ixpk= 1308, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 203, 204, 205, 207, 208, 209,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   75 ALA  MB           75 ALA  HA          2.80    (#   1311:20  Unique    2.43, 2.67 A)
 &rst
  ixpk= 1311, nxpk= 20, iat=  -1,1188, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1190,1191,1192,
 &end
#
#    0 AMB  20-2:1315    17 PRO  HD-         4.50    (#   1315:20  Single Ambig)
 &rst
  ixpk= 1315, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 264, 265, 264, 265,
 igr2= 261, 262,
 &end
#
#    0 AMB  20-2:1316     0 AMB  20-1:1316   4.50    (#   1316:20  Double Ambig)
 &rst
  ixpk= 1316, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 264, 265, 264, 265,
 igr2= 261, 262, 261, 262,
 &end
#
#   70 ILE  MG2          17 PRO  HD+         4.50    (#   1317:20  Unique    2.35, 3.69 A)
 &rst
  ixpk= 1317, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1114,1115,1116,
 igr2= 261, 262,
 &end
#
#   70 ILE  MG2          17 PRO  HD-         4.50    (#   1318:20  Unique    2.35, 3.69 A)
 &rst
  ixpk= 1318, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1114,1115,1116,
 igr2= 261, 262,
 &end
#
#   16 LEU  MDX          17 PRO  HD-         5.50    (#   1319:20  Unique    3.67, 5.49 A)
 &rst
  ixpk= 1319, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 250, 251, 252, 254, 255, 256,
 igr2= 261, 262,
 &end
#
#   16 LEU  MDX          17 PRO  HD+         5.50    (#   1320:20  Unique    3.67, 5.49 A)
 &rst
  ixpk= 1320, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 250, 251, 252, 254, 255, 256,
 igr2= 261, 262,
 &end
#
#   69 LYS  HE+          75 ALA  MB          3.50    (#   1323:20  Unique    2.44, 4.46 A)
 &rst
  ixpk= 1323, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1099,1100,
 igr2=1190,1191,1192,
 &end
#
#   69 LYS  HD+          75 ALA  MB          3.50    (#   1325:20  Unique    2.31, 3.78 A)
 &rst
  ixpk= 1325, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1096,1097,
 igr2=1190,1191,1192,
 &end
#
#   69 LYS  HD-          75 ALA  MB          3.50    (#   1326:20  Unique    2.31, 3.78 A)
 &rst
  ixpk= 1326, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1096,1097,
 igr2=1190,1191,1192,
 &end
#
#   11 LEU  HN           81 ALA  MB          5.50    (#   1330:20  Unique    3.51, 4.62 A)
 &rst
  ixpk= 1330, nxpk= 20, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1292,1293,1294,
 &end
#
#    1 ALA  HN            1 ALA  MB          4.50    (#   1331:20  Unique    1.87, 7.10 A)
 &rst
  ixpk= 1331, nxpk= 20, iat=   2,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=   8,   9,  10,
 &end
#
#   10 ILE  HN           81 ALA  MB          5.50    (#   1332:20  Unique    4.10, 5.17 A)
 &rst
  ixpk= 1332, nxpk= 20, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1292,1293,1294,
 &end
#
#   12 PHE  HD           81 ALA  MB          5.50    (#   1334:20  Unique    4.69, 6.19 A)
 &rst
  ixpk= 1334, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 182, 190,
 igr2=1292,1293,1294,
 &end
#
#    0 AMB  20-2:1335    81 ALA  MB          5.50    (#   1335:20  Single Ambig)
 &rst
  ixpk= 1335, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1322,1300,
 igr2=1292,1293,1294,
 &end
#
#    0 AMB  20-2:1336    81 ALA  MB          3.50    (#   1336:20  Single Ambig)
 &rst
  ixpk= 1336, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 178, 179,1333,1334,1333,1334,
 igr2=1292,1293,1294,
 &end
#
#   12 PHE  HB-          81 ALA  MB          4.50    (#   1337:20  Unique    2.49, 4.17 A)
 &rst
  ixpk= 1337, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 178, 179,
 igr2=1292,1293,1294,
 &end
#
#    2 GLN  HG+           1 ALA  MB          4.50    (#   1338:20  Unique    3.12, 5.77 A)
 &rst
  ixpk= 1338, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  21,  22,
 igr2=   8,   9,  10,
 &end
#
#    0 AMB  20-2:1340    81 ALA  MB          2.80    (#   1340:20  Single Ambig)
 &rst
  ixpk= 1340, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 140,1324,1325,1324,1325,
 igr2=1292,1293,1294,
 &end
#
#   67 GLY  HA+          75 ALA  MB          3.50    (#   1342:20  Unique    2.09, 3.86 A)
 &rst
  ixpk= 1342, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1061,1062,
 igr2=1190,1191,1192,
 &end
#
#    0 AMB  20-2:1343    10 ILE  MG2         7.00    (#   1343:20  Single Ambig)
 &rst
  ixpk= 1343, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 174, 119,
 igr2= 142, 143, 144,
 &end
#
#    0 AMB  20-2:1344    10 ILE  MG2         5.50    (#   1344:20  Single Ambig)
 &rst
  ixpk= 1344, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 832,1298,
 igr2= 142, 143, 144,
 &end
#
#    8 ASN  HD2+         10 ILE  MG2         5.50    (#   1345:20  Unique    3.91, 5.08 A)
 &rst
  ixpk= 1345, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 114, 115,
 igr2= 142, 143, 144,
 &end
#
#   10 ILE  HA           10 ILE  MG2         3.50    (#   1346:20  Unique    2.46, 3.09 A)
 &rst
  ixpk= 1346, nxpk= 20, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 142, 143, 144,
 &end
#
#    0 AMB  20-2:1347    10 ILE  MG2         3.50    (#   1347:20  Single Ambig)
 &rst
  ixpk= 1347, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 785, 786,1333,1334,1333,1334,
 igr2= 142, 143, 144,
 &end
#
#   49 PHE  HB-          10 ILE  MG2         3.50    (#   1348:20  Unique    3.08, 4.48 A)
 &rst
  ixpk= 1348, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 785, 786,
 igr2= 142, 143, 144,
 &end
#
#    0 AMB  20-2:1349    10 ILE  MG2         5.50    (#   1349:20  Single Ambig)
 &rst
  ixpk= 1349, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 126, 127, 126, 127,
 igr2= 142, 143, 144,
 &end
#
#    0 AMB  20-2:1350    10 ILE  MG2         2.80    (#   1350:20  Single Ambig)
 &rst
  ixpk= 1350, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 140,1324,1325,1324,1325,
 igr2= 142, 143, 144,
 &end
#
#    0 AMB  20-2:1351    10 ILE  MG2         4.50    (#   1351:20  Single Ambig)
 &rst
  ixpk= 1351, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1330,1331,1330,1331,
 igr2= 142, 143, 144,
 &end
#
#    0 AMB  20-2:1352    10 ILE  MG2         2.80    (#   1352:20  Single Ambig)
 &rst
  ixpk= 1352, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1=1292,1293,1294,1327,1328,1327,1328,
 igr2= 142, 143, 144,
 &end
#
#   29 PHE  HA           61 ALA  MB          5.50    (#   1353:20  Unique    4.09, 5.22 A)
 &rst
  ixpk= 1353, nxpk= 20, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 970, 971, 972,
 &end
#
#   60 ALA  HA           61 ALA  MB          7.00    (#   1354:20  Unique    5.82, 6.11 A)
 &rst
  ixpk= 1354, nxpk= 20, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 970, 971, 972,
 &end
#
#   32 PHE  HB-          61 ALA  MB          4.50    (#   1355:20  Unique    3.43, 4.78 A)
 &rst
  ixpk= 1355, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 502, 503,
 igr2= 970, 971, 972,
 &end
#
#   58 SER  HA           61 ALA  MB          4.50    (#   1356:20  Unique    2.57, 3.45 A)
 &rst
  ixpk= 1356, nxpk= 20, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 970, 971, 972,
 &end
#
#   61 ALA  HA           61 ALA  MB          2.80    (#   1357:20  Unique    2.42, 2.65 A)
 &rst
  ixpk= 1357, nxpk= 20, iat= 968,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 970, 971, 972,
 &end
#
#    0 AMB  20-2:1358    61 ALA  MB          3.50    (#   1358:20  Single Ambig)
 &rst
  ixpk= 1358, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1017,1018,1019, 960, 961, 962,
 igr2= 970, 971, 972,
 &end
#
#   66 GLN  HE2+         78 ILE  MG2         4.50    (#   1359:20  Unique    4.32, 5.62 A)
 &rst
  ixpk= 1359, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1054,1055,
 igr2=1241,1242,1243,
 &end
#
#   62 LYS  HN           78 ILE  MG2         4.50    (#   1360:20  Unique    3.92, 5.17 A)
 &rst
  ixpk= 1360, nxpk= 20, iat= 976,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1241,1242,1243,
 &end
#
#   65 LEU  HN           78 ILE  MG2         5.50    (#   1361:20  Unique    5.35, 6.58 A)
 &rst
  ixpk= 1361, nxpk= 20, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1241,1242,1243,
 &end
#
#    0 AMB  20-2:1362    78 ILE  MG2         5.50    (#   1362:20  Single Ambig)
 &rst
  ixpk= 1362, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1042,1013,
 igr2=1241,1242,1243,
 &end
#
#    0 AMB  20-2:1366    78 ILE  MG2         5.50    (#   1366:20  Single Ambig)
 &rst
  ixpk= 1366, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1044, 935, 936,1000,
 igr2=1241,1242,1243,
 &end
#
#    0 AMB  20-2:1367    78 ILE  MG2         4.50    (#   1367:20  Single Ambig)
 &rst
  ixpk= 1367, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 162, 980, 981,
 igr2=1241,1242,1243,
 &end
#
#   11 LEU  HB+          78 ILE  MG2         4.50    (#   1368:20  Unique    2.37, 3.97 A)
 &rst
  ixpk= 1368, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 159, 160,
 igr2=1241,1242,1243,
 &end
#
#    0 AMB  20-2:1369    78 ILE  MG2         2.80    (#   1369:20  Single Ambig)
 &rst
  ixpk= 1369, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1239,1245,1246,
 igr2=1241,1242,1243,
 &end
#
#   62 LYS  HB-          78 ILE  MG2         3.50    (#   1370:20  Unique    2.32, 3.89 A)
 &rst
  ixpk= 1370, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 980, 981,
 igr2=1241,1242,1243,
 &end
#
#   11 LEU  HB-          78 ILE  MG2         3.50    (#   1371:20  Unique    2.37, 3.97 A)
 &rst
  ixpk= 1371, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 159, 160,
 igr2=1241,1242,1243,
 &end
#
#    0 AMB  20-2:1372    78 ILE  MG2         3.50    (#   1372:20  Single Ambig)
 &rst
  ixpk= 1372, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 983, 984, 983, 984,
 igr2=1241,1242,1243,
 &end
#
#   58 SER  HN           60 ALA  MB          5.50    (#   1373:20  Unique    5.33, 6.26 A)
 &rst
  ixpk= 1373, nxpk= 20, iat= 931,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 960, 961, 962,
 &end
#
#   59 ASN  HA           60 ALA  MB          5.50    (#   1376:20  Unique    5.84, 6.13 A)
 &rst
  ixpk= 1376, nxpk= 20, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 960, 961, 962,
 &end
#
#    0 AMB  20-2:1377    60 ALA  MB          4.50    (#   1377:20  Single Ambig)
 &rst
  ixpk= 1377, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 946, 947, 946, 947,
 igr2= 960, 961, 962,
 &end
#
#   61 ALA  HA           60 ALA  MB          4.50    (#   1378:20  Unique    4.39, 4.93 A)
 &rst
  ixpk= 1378, nxpk= 20, iat= 968,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 960, 961, 962,
 &end
#
#    0 AMB  20-2:1379    60 ALA  MB          4.50    (#   1379:20  Single Ambig)
 &rst
  ixpk= 1379, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1005,1006, 921, 922, 921, 922,
 igr2= 960, 961, 962,
 &end
#
#   63 GLU  HG-          60 ALA  MB          4.50    (#   1380:20  Unique    3.65, 6.16 A)
 &rst
  ixpk= 1380, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1005,1006,
 igr2= 960, 961, 962,
 &end
#
#   63 GLU  HB-          60 ALA  MB          4.50    (#   1381:20  Unique    4.26, 5.87 A)
 &rst
  ixpk= 1381, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1002,1003,
 igr2= 960, 961, 962,
 &end
#
#   61 ALA  MB           60 ALA  MB          5.50    (#   1382:20  Unique    4.30, 5.92 A)
 &rst
  ixpk= 1382, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 970, 971, 972,
 igr2= 960, 961, 962,
 &end
#
#   16 LEU  HA           70 ILE  MG2         4.50    (#   1384:20  Unique    4.30, 5.33 A)
 &rst
  ixpk= 1384, nxpk= 20, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1114,1115,1116,
 &end
#
#   17 PRO  HD+          70 ILE  MG2         4.50    (#   1385:20  Unique    2.35, 3.69 A)
 &rst
  ixpk= 1385, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 261, 262,
 igr2=1114,1115,1116,
 &end
#
#   17 PRO  HD-          70 ILE  MG2         4.50    (#   1386:20  Unique    2.35, 3.69 A)
 &rst
  ixpk= 1386, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 261, 262,
 igr2=1114,1115,1116,
 &end
#
#   76 MET  HB-          70 ILE  MG2         5.50    (#   1388:20  Unique    5.51, 6.75 A)
 &rst
  ixpk= 1388, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1200,1201,
 igr2=1114,1115,1116,
 &end
#
#    0 AMB  20-2:1389    70 ILE  MG2         2.80    (#   1389:20  Single Ambig)
 &rst
  ixpk= 1389, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1112,1118,1119,
 igr2=1114,1115,1116,
 &end
#
#    0 AMB  20-2:1390    70 ILE  MG2         3.50    (#   1390:20  Single Ambig)
 &rst
  ixpk= 1390, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 264, 265, 264, 265,
 igr2=1114,1115,1116,
 &end
#
#   76 MET  ME           70 ILE  MG2         4.50    (#   1391:20  Unique    4.63, 5.63 A)
 &rst
  ixpk= 1391, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1207,1208,1209,
 igr2=1114,1115,1116,
 &end
#
#   70 ILE  HG1+         70 ILE  MG2         3.50    (#   1392:20  Unique    2.47, 3.48 A)
 &rst
  ixpk= 1392, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1118,1119,
 igr2=1114,1115,1116,
 &end
#
#   25 LEU  MDX          70 ILE  MG2         4.50    (#   1394:20  Unique    3.77, 6.82 A)
 &rst
  ixpk= 1394, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2=1114,1115,1116,
 &end
#
#   16 LEU  MDX          70 ILE  MG2         4.50    (#   1395:20  Unique    4.38, 6.92 A)
 &rst
  ixpk= 1395, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 250, 251, 252, 254, 255, 256,
 igr2=1114,1115,1116,
 &end
#
#   28 LEU  MDY          70 ILE  MG2         5.50    (#   1396:20  Unique    3.11, 6.23 A)
 &rst
  ixpk= 1396, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 437, 438, 439, 441, 442, 443,
 igr2=1114,1115,1116,
 &end
#
#   68 PHE  HN           67 GLY  HA+         4.50    (#   1397:20  Unique    3.26, 3.38 A)
 &rst
  ixpk= 1397, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1061,1062,
 &end
#
#   68 PHE  HN           67 GLY  HA-         4.50    (#   1398:20  Unique    3.26, 3.38 A)
 &rst
  ixpk= 1398, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1061,1062,
 &end
#
#   34 GLY  HN           34 GLY  HA+         3.50    (#   1420:20  Unique    2.44, 2.74 A)
 &rst
  ixpk= 1420, nxpk= 20, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 534, 535,
 &end
#
#   57 GLN  HE2-         34 GLY  HA+         5.50    (#   1421:20  Unique    2.21, 3.67 A)
 &rst
  ixpk= 1421, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 926, 927,
 igr2= 534, 535,
 &end
#
#   11 LEU  MDX          11 LEU  HB+         4.50    (#   1423:20  Unique    2.30, 3.33 A)
 &rst
  ixpk= 1423, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 164, 165, 166, 168, 169, 170,
 igr2= 159, 160,
 &end
#
#    0 AMB  20-2:1424     0 AMB  20-1:1424   4.50    (#   1424:20  Double Ambig)
 &rst
  ixpk= 1424, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1241,1242,1243, 203, 204, 205, 207, 208, 209,
 igr2= 159, 160, 159, 160,
 &end
#
#   11 LEU  HN           11 LEU  HB-         5.50    (#   1425:20  Unique    2.35, 3.10 A)
 &rst
  ixpk= 1425, nxpk= 20, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 159, 160,
 &end
#
#   12 PHE  HN           11 LEU  HB-         5.50    (#   1426:20  Unique    2.39, 3.36 A)
 &rst
  ixpk= 1426, nxpk= 20, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 159, 160,
 &end
#
#    0 AMB  20-2:1427     0 AMB  20-1:1427   4.50    (#   1427:20  Double Ambig)
 &rst
  ixpk= 1427, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 157, 196,
 igr2= 159, 160, 198, 199,
 &end
#
#   25 LEU  MDY          13 LEU  HB-         4.50    (#   1428:20  Unique    3.92, 5.42 A)
 &rst
  ixpk= 1428, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 198, 199,
 &end
#
#    0 AMB  20-2:1429     0 AMB  20-1:1429   4.50    (#   1429:20  Double Ambig)
 &rst
  ixpk= 1429, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1= 807, 808, 809, 811, 812, 813, 248,
 igr2= 198, 199, 198, 199,
 &end
#
#   13 LEU  MDX          13 LEU  HB+         3.50    (#   1430:20  Unique    2.36, 3.31 A)
 &rst
  ixpk= 1430, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 203, 204, 205, 207, 208, 209,
 igr2= 198, 199,
 &end
#
#   48 ALA  MB           13 LEU  HB+         4.50    (#   1431:20  Unique    2.32, 3.75 A)
 &rst
  ixpk= 1431, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 775, 776, 777,
 igr2= 198, 199,
 &end
#
#    0 AMB  20-2:1433    14 THR  HB          4.50    (#   1433:20  Single Ambig)
 &rst
  ixpk= 1433, nxpk= 20, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 241,1213,
 &end
#
#    0 AMB  20-2:1435    14 THR  HB          4.50    (#   1435:20  Single Ambig)
 &rst
  ixpk= 1435, nxpk= 20, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 229,  16,1258,
 &end
#
#   80 PHE  HN           79 THR  HB          4.50    (#   1439:20  Unique    2.94, 3.58 A)
 &rst
  ixpk= 1439, nxpk= 20, iat=1268,1258, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:1440     0 AMB  20-1:1440   5.50    (#   1440:20  Double Ambig)
 &rst
  ixpk= 1440, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 457, 461, 381,
 igr2= 432, 433, 432, 433,
 &end
#
#   74 HIS  HD2          70 ILE  MD1         7.00    (#   1441:20  Unique    5.50, 6.72 A)
 &rst
  ixpk= 1441, nxpk= 20, iat=1182,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1121,1122,1123,
 &end
#
#   47 ILE  HA           47 ILE  MD1         4.50    (#   1442:20  Unique    4.07, 4.73 A)
 &rst
  ixpk= 1442, nxpk= 20, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 765, 766, 767,
 &end
#
#   75 ALA  HA           70 ILE  MD1         5.50    (#   1444:20  Unique    4.96, 5.79 A)
 &rst
  ixpk= 1444, nxpk= 20, iat=1188,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1121,1122,1123,
 &end
#
#   16 LEU  HA           70 ILE  MD1         4.50    (#   1445:20  Unique    2.24, 2.89 A)
 &rst
  ixpk= 1445, nxpk= 20, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1121,1122,1123,
 &end
#
#   17 PRO  HD+          70 ILE  MD1         4.50    (#   1446:20  Unique    2.30, 3.14 A)
 &rst
  ixpk= 1446, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 261, 262,
 igr2=1121,1122,1123,
 &end
#
#   17 PRO  HD-          70 ILE  MD1         5.50    (#   1447:20  Unique    2.30, 3.14 A)
 &rst
  ixpk= 1447, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 261, 262,
 igr2=1121,1122,1123,
 &end
#
#   76 MET  HG-          70 ILE  MD1         4.50    (#   1448:20  Unique    2.47, 4.37 A)
 &rst
  ixpk= 1448, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1203,1204,
 igr2=1121,1122,1123,
 &end
#
#   40 LEU  HB-          47 ILE  MD1         7.00    (#   1450:20  Unique    5.45, 7.63 A)
 &rst
  ixpk= 1450, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 640, 641,
 igr2= 765, 766, 767,
 &end
#
#   76 MET  HB+          70 ILE  MD1         4.50    (#   1452:20  Unique    2.27, 4.01 A)
 &rst
  ixpk= 1452, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1200,1201,
 igr2=1121,1122,1123,
 &end
#
#   76 MET  HB-          70 ILE  MD1         4.50    (#   1453:20  Unique    2.27, 4.01 A)
 &rst
  ixpk= 1453, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1200,1201,
 igr2=1121,1122,1123,
 &end
#
#    0 AMB  20-2:1454     0 AMB  20-1:1454   2.80    (#   1454:20  Double Ambig)
 &rst
  ixpk= 1454, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1=1118,1119, 390, 391, 392, 394, 395, 396,
 igr2=1121,1122,1123, 432, 433,
 &end
#
#   70 ILE  HG1+         70 ILE  MD1         2.80    (#   1455:20  Unique    2.36, 2.66 A)
 &rst
  ixpk= 1455, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1118,1119,
 igr2=1121,1122,1123,
 &end
#
#   41 VAL  HB           47 ILE  MD1         3.50    (#   1456:20  Unique    2.23, 3.13 A)
 &rst
  ixpk= 1456, nxpk= 20, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 765, 766, 767,
 &end
#
#   44 ARG  HB+          47 ILE  MD1         3.50    (#   1457:20  Unique    2.31, 3.13 A)
 &rst
  ixpk= 1457, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 703, 704,
 igr2= 765, 766, 767,
 &end
#
#    0 AMB  20-2:1458    47 ILE  MD1         2.80    (#   1458:20  Single Ambig)
 &rst
  ixpk= 1458, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 703, 704, 756,
 igr2= 765, 766, 767,
 &end
#
#    0 AMB  20-2:1459    47 ILE  MD1         3.50    (#   1459:20  Single Ambig)
 &rst
  ixpk= 1459, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 706, 707, 706, 707,
 igr2= 765, 766, 767,
 &end
#
#   47 ILE  HG1-         47 ILE  MD1         2.80    (#   1460:20  Unique    2.29, 2.64 A)
 &rst
  ixpk= 1460, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 762, 763,
 igr2= 765, 766, 767,
 &end
#
#   28 LEU  HG           28 LEU  HB+         3.50    (#   1462:20  Unique    2.51, 2.79 A)
 &rst
  ixpk= 1462, nxpk= 20, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 432, 433,
 &end
#
#   76 MET  ME           70 ILE  MD1         2.80    (#   1463:20  Unique    2.27, 3.74 A)
 &rst
  ixpk= 1463, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1207,1208,1209,
 igr2=1121,1122,1123,
 &end
#
#   41 VAL  MGX          47 ILE  MD1         2.80    (#   1464:20  Unique    2.29, 4.17 A)
 &rst
  ixpk= 1464, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 661, 662, 663, 665, 666, 667,
 igr2= 765, 766, 767,
 &end
#
#   54 THR  HB           56 LEU  HB+         4.50    (#   1473:20  Unique    2.99, 4.01 A)
 &rst
  ixpk= 1473, nxpk= 20, iat= 870,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 899, 900,
 &end
#
#   47 ILE  HG1-         47 ILE  HB          4.50    (#   1479:20  Unique    2.31, 2.53 A)
 &rst
  ixpk= 1479, nxpk= 20, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 762, 763,
 &end
#
#   75 ALA  HA           69 LYS  HE-         5.50    (#   1481:20  Unique    4.07, 4.82 A)
 &rst
  ixpk= 1481, nxpk= 20, iat=1188,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1099,1100,
 &end
#
#    0 AMB  20-2:1482     0 AMB  20-1:1482   4.50    (#   1482:20  Double Ambig)
 &rst
  ixpk= 1482, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1188,  87,  62,
 igr2=1099,1100, 109, 110,
 &end
#
#    0 AMB  20-2:1483     0 AMB  20-1:1483   4.50    (#   1483:20  Double Ambig)
 &rst
  ixpk= 1483, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 862, 834,
 igr2= 572, 573, 572, 573, 572, 573,
 &end
#
#   51 GLU  HG-           0 AMB  20-1:1484   4.50    (#   1484:20  Single Ambig)
 &rst
  ixpk= 1484, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 824, 825,
 igr2= 572, 573, 572, 573,
 &end
#
#    0 AMB  20-2:1485     0 AMB  20-1:1485   4.50    (#   1485:20  Double Ambig)
 &rst
  ixpk= 1485, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50,
 igr1= 821, 822, 821, 822, 821, 822, 588, 589,
 igr2= 572, 573, 572, 573, 572, 573, 572, 573,
 &end
#
#    0 AMB  20-2:1486     0 AMB  20-1:1486   2.80    (#   1486:20  Double Ambig)
 &rst
  ixpk= 1486, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 569, 570, 566, 567, 566, 567,
 igr2= 572, 573, 572, 573, 572, 573,
 &end
#
#   36 LYS  HG-           0 AMB  20-1:1487   2.80    (#   1487:20  Single Ambig)
 &rst
  ixpk= 1487, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 566, 567,
 igr2= 572, 573, 572, 573,
 &end
#
#   73 THR  HN           69 LYS  HE-         5.50    (#   1488:20  Unique    4.64, 6.19 A)
 &rst
  ixpk= 1488, nxpk= 20, iat=1155,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1099,1100,
 &end
#
#    0 AMB  20-2:1489     0 AMB  20-1:1489   5.50    (#   1489:20  Double Ambig)
 &rst
  ixpk= 1489, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=  72,  73,  72,  73,
 igr2=1311,1312,1311,1312,
 &end
#
#   72 PRO  HA           69 LYS  HE+         5.50    (#   1490:20  Unique    2.72, 4.06 A)
 &rst
  ixpk= 1490, nxpk= 20, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1099,1100,
 &end
#
#    0 AMB  20-2:1492     0 AMB  20-1:1492   2.80    (#   1492:20  Double Ambig)
 &rst
  ixpk= 1492, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=1324,1325,1324,1325,1324,1325, 616, 617,
 igr2=1333,1334,1333,1334,1333,1334, 785, 786,
 &end
#
#   83 LYS  HN            0 AMB  20-1:1493   4.50    (#   1493:20  Single Ambig)
 &rst
  ixpk= 1493, nxpk= 20, iat=1320,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2=1333,1334,1333,1334,1311,1312,1311,1312,
 &end
#
#   40 LEU  HN           40 LEU  HB+         4.50    (#   1494:20  Unique    2.35, 3.09 A)
 &rst
  ixpk= 1494, nxpk= 20, iat= 636,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 640, 641,
 &end
#
#   40 LEU  HN           40 LEU  HB-         4.50    (#   1495:20  Unique    2.35, 3.09 A)
 &rst
  ixpk= 1495, nxpk= 20, iat= 636,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 640, 641,
 &end
#
#   40 LEU  HA           40 LEU  HB+         4.50    (#   1496:20  Unique    2.39, 2.76 A)
 &rst
  ixpk= 1496, nxpk= 20, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 640, 641,
 &end
#
#   47 ILE  MG2          47 ILE  HB          2.80    (#   1498:20  Unique    2.39, 2.65 A)
 &rst
  ixpk= 1498, nxpk= 20, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 758, 759, 760,
 &end
#
#   81 ALA  HA           12 PHE  HB-         4.50    (#   1500:20  Unique    2.54, 3.13 A)
 &rst
  ixpk= 1500, nxpk= 20, iat=1290,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 178, 179,
 &end
#
#   81 ALA  MB           12 PHE  HB-         4.50    (#   1502:20  Unique    2.49, 4.17 A)
 &rst
  ixpk= 1502, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1292,1293,1294,
 igr2= 178, 179,
 &end
#
#   66 GLN  HE2+         78 ILE  HB          4.50    (#   1504:20  Unique    2.96, 3.57 A)
 &rst
  ixpk= 1504, nxpk= 20, iat=  -1,1239, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1054,1055,
 &end
#
#   66 GLN  HE2-         78 ILE  HB          4.50    (#   1505:20  Unique    2.96, 3.57 A)
 &rst
  ixpk= 1505, nxpk= 20, iat=  -1,1239, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1054,1055,
 &end
#
#    0 AMB  20-2:1506    78 ILE  HB          4.50    (#   1506:20  Single Ambig)
 &rst
  ixpk= 1506, nxpk= 20, iat=  -1,1239, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1237,1215,
 &end
#
#   66 GLN  HA           78 ILE  HB          5.50    (#   1507:20  Unique    3.27, 3.64 A)
 &rst
  ixpk= 1507, nxpk= 20, iat=1044,1239, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 LEU  MDX          21 ASN  HB+         5.50    (#   1510:20  Unique    3.56, 6.37 A)
 &rst
  ixpk= 1510, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 645, 646, 647, 649, 650, 651,
 igr2= 322, 323,
 &end
#
#   22 GLU  HN           21 ASN  HB-         3.50    (#   1511:20  Unique    2.28, 3.70 A)
 &rst
  ixpk= 1511, nxpk= 20, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 322, 323,
 &end
#
#   16 LEU  HN           46 ASP  HB+         4.50    (#   1512:20  Unique    3.19, 4.28 A)
 &rst
  ixpk= 1512, nxpk= 20, iat= 241,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 744, 745,
 &end
#
#   21 ASN  HD2+         21 ASN  HB-         4.50    (#   1513:20  Unique    2.24, 3.30 A)
 &rst
  ixpk= 1513, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 327, 328,
 igr2= 322, 323,
 &end
#
#   46 ASP  HA           46 ASP  HB+         3.50    (#   1515:20  Unique    2.31, 2.49 A)
 &rst
  ixpk= 1515, nxpk= 20, iat= 742,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 744, 745,
 &end
#
#   76 MET  ME           68 PHE  HB+         4.50    (#   1517:20  Unique    3.06, 4.98 A)
 &rst
  ixpk= 1517, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1207,1208,1209,
 igr2=1070,1071,
 &end
#
#   69 LYS  HN           68 PHE  HB+         4.50    (#   1520:20  Unique    4.33, 4.38 A)
 &rst
  ixpk= 1520, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1070,1071,
 &end
#
#   32 PHE  HZ           68 PHE  HB+         7.00    (#   1521:20  Unique    6.73, 7.39 A)
 &rst
  ixpk= 1521, nxpk= 20, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1070,1071,
 &end
#
#   65 LEU  HA           68 PHE  HB+         4.50    (#   1522:20  Unique    2.20, 2.90 A)
 &rst
  ixpk= 1522, nxpk= 20, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1070,1071,
 &end
#
#   38 VAL  MGY          38 VAL  HB          2.80    (#   1523:20  Unique    2.37, 2.65 A)
 &rst
  ixpk= 1523, nxpk= 20, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 602, 603, 604, 606, 607, 608,
 &end
#
#   38 VAL  MGX          38 VAL  HB          2.80    (#   1524:20  Unique    2.37, 2.65 A)
 &rst
  ixpk= 1524, nxpk= 20, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 602, 603, 604, 606, 607, 608,
 &end
#
#   31 GLN  HB-           0 AMB  20-1:1525   3.50    (#   1525:20  Single Ambig)
 &rst
  ixpk= 1525, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 485, 486,
 igr2= 488, 489, 488, 489,
 &end
#
#    0 AMB  20-2:1526     0 AMB  20-1:1526   3.50    (#   1526:20  Double Ambig)
 &rst
  ixpk= 1526, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 485, 486, 485, 486,
 igr2= 488, 489, 488, 489,
 &end
#
#   31 GLN  HN            0 AMB  20-1:1527   3.50    (#   1527:20  Single Ambig)
 &rst
  ixpk= 1527, nxpk= 20, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 488, 489, 488, 489,
 &end
#
#    0 AMB  20-2:1528     0 AMB  20-1:1528   3.50    (#   1528:20  Double Ambig)
 &rst
  ixpk= 1528, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 493, 494, 493, 494,
 igr2= 488, 489, 488, 489,
 &end
#
#    0 AMB  20-2:1530     0 AMB  20-1:1530   2.80    (#   1530:20  Double Ambig)
 &rst
  ixpk= 1530, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=  64,  65,1046,1047,
 igr2=  67,  68,1049,1050,
 &end
#
#    5 GLN  HB+           5 GLN  HG+         2.80    (#   1532:20  Unique    2.29, 2.61 A)
 &rst
  ixpk= 1532, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  64,  65,
 igr2=  67,  68,
 &end
#
#   31 GLN  HN           29 PHE  HA          4.50    (#   1534:20  Unique    3.19, 3.26 A)
 &rst
  ixpk= 1534, nxpk= 20, iat= 481, 449, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    3 THR  HB            3 THR  HA          3.50    (#   1535:20  Unique    2.53, 2.81 A)
 &rst
  ixpk= 1535, nxpk= 20, iat=  35,  33, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   83 LYS  HN            0 AMB  20-1:1537   3.50    (#   1537:20  Single Ambig)
 &rst
  ixpk= 1537, nxpk= 20, iat=1320,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1324,1325,1324,1325,
 &end
#
#   83 LYS  HN            0 AMB  20-1:1538   4.50    (#   1538:20  Single Ambig)
 &rst
  ixpk= 1538, nxpk= 20, iat=1320,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1302,1303,1302,1303,
 &end
#
#    0 AMB  20-2:1540     0 AMB  20-1:1540   4.50    (#   1540:20  Double Ambig)
 &rst
  ixpk= 1540, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1220,1221,1220,1221,
 igr2=1217,1218,1217,1218,
 &end
#
#   52 PHE  HA           36 LYS  HB-         5.50    (#   1541:20  Unique    2.22, 3.82 A)
 &rst
  ixpk= 1541, nxpk= 20, iat= 834,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 563, 564,
 &end
#
#    0 AMB  20-2:1542     0 AMB  20-1:1542   3.50    (#   1542:20  Double Ambig)
 &rst
  ixpk= 1542, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 572, 573, 572, 573,
 igr2= 563, 564, 563, 564,
 &end
#
#   38 VAL  HN           38 VAL  HB          4.50    (#   1546:20  Unique    2.59, 3.01 A)
 &rst
  ixpk= 1546, nxpk= 20, iat= 596, 600, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   80 PHE  HD            7 PRO  HA          4.50    (#   1547:20  Unique    3.17, 3.62 A)
 &rst
  ixpk= 1547, nxpk= 20, iat=  -1, 101, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1276,1284,
 &end
#
#   27 MET  HN           26 SER  HB+         4.50    (#   1548:20  Unique    2.52, 3.21 A)
 &rst
  ixpk= 1548, nxpk= 20, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 404, 405,
 &end
#
#   27 MET  HN           26 SER  HB-         4.50    (#   1549:20  Unique    2.52, 3.21 A)
 &rst
  ixpk= 1549, nxpk= 20, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 404, 405,
 &end
#
#   27 MET  HN           26 SER  HA          5.50    (#   1550:20  Unique    3.60, 3.64 A)
 &rst
  ixpk= 1550, nxpk= 20, iat= 411, 402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 LEU  HN           26 SER  HB+         5.50    (#   1551:20  Unique    4.85, 5.56 A)
 &rst
  ixpk= 1551, nxpk= 20, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 404, 405,
 &end
#
#   25 LEU  HN           26 SER  HB-         5.50    (#   1552:20  Unique    4.85, 5.56 A)
 &rst
  ixpk= 1552, nxpk= 20, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 404, 405,
 &end
#
#   35 PHE  HE           26 SER  HB-         4.50    (#   1553:20  Unique    3.00, 5.04 A)
 &rst
  ixpk= 1553, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 549, 553,
 igr2= 404, 405,
 &end
#
#   35 PHE  HE           26 SER  HB+         5.50    (#   1554:20  Unique    3.00, 5.04 A)
 &rst
  ixpk= 1554, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 549, 553,
 igr2= 404, 405,
 &end
#
#   35 PHE  HE           26 SER  HA          4.50    (#   1555:20  Unique    3.16, 3.57 A)
 &rst
  ixpk= 1555, nxpk= 20, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 549, 553,
 &end
#
#   35 PHE  HZ           26 SER  HA          4.50    (#   1556:20  Unique    2.15, 2.23 A)
 &rst
  ixpk= 1556, nxpk= 20, iat= 551, 402, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 SER  HA           26 SER  HB+         3.50    (#   1560:20  Unique    2.31, 2.73 A)
 &rst
  ixpk= 1560, nxpk= 20, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 404, 405,
 &end
#
#   26 SER  HA           26 SER  HB-         3.50    (#   1563:20  Unique    2.31, 2.73 A)
 &rst
  ixpk= 1563, nxpk= 20, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 404, 405,
 &end
#
#   78 ILE  HN           77 LYS  HB-         5.50    (#   1564:20  Unique    2.83, 3.93 A)
 &rst
  ixpk= 1564, nxpk= 20, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1217,1218,
 &end
#
#    0 AMB  20-2:1565     0 AMB  20-1:1565   3.50    (#   1565:20  Double Ambig)
 &rst
  ixpk= 1565, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1311,1312,1311,1312,1311,1312,
 igr2=1302,1303,1302,1303,1302,1303,
 &end
#
#    0 AMB  20-2:1566     0 AMB  20-1:1566   2.80    (#   1566:20  Double Ambig)
 &rst
  ixpk= 1566, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1305,1306,1327,1328,
 igr2=1302,1303,1302,1303,1302,1303,
 &end
#
#   22 GLU  HN           22 GLU  HA          3.50    (#   1567:20  Unique    2.77, 2.80 A)
 &rst
  ixpk= 1567, nxpk= 20, iat= 332, 334, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   73 THR  HN           73 THR  HA          4.50    (#   1568:20  Unique    2.22, 2.85 A)
 &rst
  ixpk= 1568, nxpk= 20, iat=1155,1157, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:1571    73 THR  HA          5.50    (#   1571:20  Single Ambig)
 &rst
  ixpk= 1571, nxpk= 20, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1131,1088,1188,1129,
 &end
#
#    0 AMB  20-2:1572     0 AMB  20-1:1572   2.80    (#   1572:20  Double Ambig)
 &rst
  ixpk= 1572, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 351, 352, 336, 337,
 igr2= 354, 355, 354, 355,
 &end
#
#    0 AMB  20-2:1573     0 AMB  20-1:1573   2.80    (#   1573:20  Double Ambig)
 &rst
  ixpk= 1573, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 351, 352, 415, 416,
 igr2= 354, 355, 354, 355,
 &end
#
#   42 PRO  HG+          42 PRO  HB+         3.50    (#   1574:20  Unique    2.38, 2.63 A)
 &rst
  ixpk= 1574, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 675, 676,
 igr2= 678, 679,
 &end
#
#   42 PRO  HG-          42 PRO  HB+         3.50    (#   1575:20  Unique    2.38, 2.63 A)
 &rst
  ixpk= 1575, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 675, 676,
 igr2= 678, 679,
 &end
#
#   38 VAL  HN           37 GLU  HB-         4.50    (#   1578:20  Unique    2.40, 3.64 A)
 &rst
  ixpk= 1578, nxpk= 20, iat= 596,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 585, 586,
 &end
#
#    0 AMB  20-2:1580     0 AMB  20-1:1580   4.50    (#   1580:20  Double Ambig)
 &rst
  ixpk= 1580, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 998, 942,
 igr2= 980, 981,  98,  99,
 &end
#
#   80 PHE  HD            0 AMB  20-1:1581   5.50    (#   1581:20  Single Ambig)
 &rst
  ixpk= 1581, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1276,1284,
 igr2=  98,  99, 980, 981,
 &end
#
#   80 PHE  HD            7 PRO  HB+         4.50    (#   1582:20  Unique    4.70, 5.78 A)
 &rst
  ixpk= 1582, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1276,1284,
 igr2=  98,  99,
 &end
#
#    8 ASN  HN            7 PRO  HB+         4.50    (#   1583:20  Unique    3.18, 3.58 A)
 &rst
  ixpk= 1583, nxpk= 20, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  98,  99,
 &end
#
#    8 ASN  HN            7 PRO  HB-         4.50    (#   1584:20  Unique    3.18, 3.58 A)
 &rst
  ixpk= 1584, nxpk= 20, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  98,  99,
 &end
#
#    7 PRO  HG-           7 PRO  HB-         4.50    (#   1585:20  Unique    2.37, 2.63 A)
 &rst
  ixpk= 1585, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  95,  96,
 igr2=  98,  99,
 &end
#
#    7 PRO  HG-           7 PRO  HB+         3.50    (#   1586:20  Unique    2.37, 2.63 A)
 &rst
  ixpk= 1586, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  95,  96,
 igr2=  98,  99,
 &end
#
#    0 AMB  20-2:1589     0 AMB  20-1:1589   4.50    (#   1589:20  Double Ambig)
 &rst
  ixpk= 1589, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  95,  96, 162,
 igr2=  98,  99, 980, 981,
 &end
#
#   58 SER  HG           58 SER  HB+         4.50    (#   1590:20  Unique    2.11, 2.33 A)
 &rst
  ixpk= 1590, nxpk= 20, iat= 938,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 935, 936,
 &end
#
#    0 AMB  20-2:1591     0 AMB  20-1:1591   5.50    (#   1591:20  Double Ambig)
 &rst
  ixpk= 1591, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 836, 837, 836, 837,
 igr2= 935, 936, 935, 936,
 &end
#
#   58 SER  HA           58 SER  HB+         5.50    (#   1592:20  Unique    2.34, 2.48 A)
 &rst
  ixpk= 1592, nxpk= 20, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 935, 936,
 &end
#
#   11 LEU  MDY          58 SER  HB+         4.50    (#   1593:20  Unique    2.10, 3.88 A)
 &rst
  ixpk= 1593, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 164, 165, 166, 168, 169, 170,
 igr2= 935, 936,
 &end
#
#   11 LEU  MDY          58 SER  HB-         4.50    (#   1596:20  Unique    2.10, 3.88 A)
 &rst
  ixpk= 1596, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 164, 165, 166, 168, 169, 170,
 igr2= 935, 936,
 &end
#
#   73 THR  HN           72 PRO  HB+         5.50    (#   1597:20  Unique    2.65, 3.69 A)
 &rst
  ixpk= 1597, nxpk= 20, iat=1155,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1148,1149,
 &end
#
#    0 AMB  20-2:1598     0 AMB  20-1:1598   4.50    (#   1598:20  Double Ambig)
 &rst
  ixpk= 1598, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1131,1129,
 igr2=1148,1149,1148,1149,
 &end
#
#    0 AMB  20-2:1600     0 AMB  20-1:1600   3.50    (#   1600:20  Double Ambig)
 &rst
  ixpk= 1600, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 418, 419, 418, 419, 418, 419,
 igr2= 415, 416, 415, 416, 415, 416,
 &end
#
#   42 PRO  HD-          42 PRO  HB-         4.50    (#   1601:20  Unique    2.76, 3.66 A)
 &rst
  ixpk= 1601, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 672, 673,
 igr2= 678, 679,
 &end
#
#   61 ALA  HN           58 SER  HA          4.50    (#   1603:20  Unique    3.29, 3.42 A)
 &rst
  ixpk= 1603, nxpk= 20, iat= 966, 933, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 SER  HB-          58 SER  HA          3.50    (#   1604:20  Unique    2.34, 2.48 A)
 &rst
  ixpk= 1604, nxpk= 20, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 935, 936,
 &end
#
#   74 HIS  HA           74 HIS  HB-         2.80    (#   1606:20  Unique    2.41, 2.75 A)
 &rst
  ixpk= 1606, nxpk= 20, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1173,1174,
 &end
#
#   62 LYS  HE-          79 THR  HA          5.50    (#   1613:20  Unique    2.70, 4.31 A)
 &rst
  ixpk= 1613, nxpk= 20, iat=  -1,1256, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 989, 990,
 &end
#
#   62 LYS  HE+          79 THR  HA          5.50    (#   1614:20  Unique    2.70, 4.31 A)
 &rst
  ixpk= 1614, nxpk= 20, iat=  -1,1256, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 989, 990,
 &end
#
#   41 VAL  HB           41 VAL  HA          3.50    (#   1615:20  Unique    3.03, 3.04 A)
 &rst
  ixpk= 1615, nxpk= 20, iat= 659, 657, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 LYS  HE-          79 THR  HA          5.50    (#   1617:20  Unique    2.70, 4.31 A)
 &rst
  ixpk= 1617, nxpk= 20, iat=  -1,1256, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 989, 990,
 &end
#
#    0 AMB  20-2:1618     0 AMB  20-1:1618   4.50    (#   1618:20  Double Ambig)
 &rst
  ixpk= 1618, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 703, 704, 678, 679, 159, 160,
 igr2= 657,1256,
 &end
#
#    7 PRO  HD-           6 PRO  HB+         4.50    (#   1620:20  Unique    2.34, 3.64 A)
 &rst
  ixpk= 1620, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  92,  93,
 igr2=  84,  85,
 &end
#
#   69 LYS  HB+          68 PHE  HA          4.50    (#   1626:20  Unique    4.55, 5.19 A)
 &rst
  ixpk= 1626, nxpk= 20, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1090,1091,
 &end
#
#    0 AMB  20-2:1627    68 PHE  HA          4.50    (#   1627:20  Single Ambig)
 &rst
  ixpk= 1627, nxpk= 20, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1093,1094,1190,1191,1192,
 &end
#
#   65 LEU  MDY          68 PHE  HA          5.50    (#   1628:20  Unique    5.05, 6.76 A)
 &rst
  ixpk= 1628, nxpk= 20, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#   76 MET  HB+          76 MET  HG+         3.50    (#   1629:20  Unique    2.44, 2.76 A)
 &rst
  ixpk= 1629, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1200,1201,
 igr2=1203,1204,
 &end
#
#    4 GLU  HG-           4 GLU  HB+         2.80    (#   1631:20  Unique    2.25, 2.74 A)
 &rst
  ixpk= 1631, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  52,  53,
 igr2=  49,  50,
 &end
#
#    4 GLU  HG+           4 GLU  HB-         2.80    (#   1632:20  Unique    2.25, 2.74 A)
 &rst
  ixpk= 1632, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  52,  53,
 igr2=  49,  50,
 &end
#
#   47 ILE  HA           14 THR  HA          3.50    (#   1634:20  Unique    2.23, 2.36 A)
 &rst
  ixpk= 1634, nxpk= 20, iat= 754, 215, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 THR  HB           54 THR  HA          3.50    (#   1636:20  Unique    2.65, 2.68 A)
 &rst
  ixpk= 1636, nxpk= 20, iat= 870, 868, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 ASN  HN           14 THR  HA          4.50    (#   1637:20  Unique    2.38, 2.42 A)
 &rst
  ixpk= 1637, nxpk= 20, iat= 227, 215, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 THR  HB           14 THR  HA          3.50    (#   1638:20  Unique    2.51, 2.55 A)
 &rst
  ixpk= 1638, nxpk= 20, iat= 217, 215, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 ILE  MG2          14 THR  HA          2.80    (#   1639:20  Unique    2.05, 3.37 A)
 &rst
  ixpk= 1639, nxpk= 20, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 758, 759, 760,
 &end
#
#   14 THR  MG2          14 THR  HA          3.50    (#   1640:20  Unique    2.37, 3.09 A)
 &rst
  ixpk= 1640, nxpk= 20, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 219, 220, 221,
 &end
#
#   54 THR  MG2          54 THR  HA          3.50    (#   1641:20  Unique    2.40, 2.92 A)
 &rst
  ixpk= 1641, nxpk= 20, iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 872, 873, 874,
 &end
#
#   72 PRO  HA           69 LYS  HD+         4.50    (#   1644:20  Unique    2.47, 3.64 A)
 &rst
  ixpk= 1644, nxpk= 20, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1096,1097,
 &end
#
#   55 GLU  HA            0 AMB  20-1:1645   4.50    (#   1645:20  Single Ambig)
 &rst
  ixpk= 1645, nxpk= 20, iat= 882,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 884, 885, 884, 885,
 &end
#
#    0 AMB  20-2:1646    36 LYS  HD-         2.80    (#   1646:20  Single Ambig)
 &rst
  ixpk= 1646, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 572, 573, 572, 573,
 igr2= 569, 570,
 &end
#
#    0 AMB  20-2:1647     0 AMB  20-1:1647   2.80    (#   1647:20  Double Ambig)
 &rst
  ixpk= 1647, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1=1311,1312,1311,1312,1311,1312,1333,1334,1333,1334,
      1333,1334,1099,1100,
 igr2=1308,1309,1308,1309,1308,1309,1330,1331,1330,1331,
      1330,1331,1096,1097,
 &end
#
#   69 LYS  HE+          69 LYS  HD+         2.80    (#   1648:20  Unique    2.40, 2.63 A)
 &rst
  ixpk= 1648, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1099,1100,
 igr2=1096,1097,
 &end
#
#    0 AMB  20-2:1649     0 AMB  20-1:1649   2.80    (#   1649:20  Double Ambig)
 &rst
  ixpk= 1649, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 572, 573, 572, 573,
 igr2= 569, 570, 569, 570,
 &end
#
#   76 MET  ME           70 ILE  HG1+        4.50    (#   1652:20  Unique    2.29, 3.31 A)
 &rst
  ixpk= 1652, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1207,1208,1209,
 igr2=1118,1119,
 &end
#
#    0 AMB  20-2:1654     0 AMB  20-1:1654   3.50    (#   1654:20  Double Ambig)
 &rst
  ixpk= 1654, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 245, 246, 432, 433,1096,1097,
 igr2=1118,1119,1118,1119,1118,1119,
 &end
#
#   70 ILE  MG2          70 ILE  HG1+        3.50    (#   1655:20  Unique    2.47, 3.48 A)
 &rst
  ixpk= 1655, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1114,1115,1116,
 igr2=1118,1119,
 &end
#
#    0 AMB  20-2:1656    31 GLN  HB-         2.80    (#   1656:20  Single Ambig)
 &rst
  ixpk= 1656, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 488, 489, 488, 489,
 igr2= 485, 486,
 &end
#
#    5 GLN  HG+           5 GLN  HB+         4.50    (#   1657:20  Unique    2.29, 2.61 A)
 &rst
  ixpk= 1657, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  67,  68,
 igr2=  64,  65,
 &end
#
#    5 GLN  HG-           5 GLN  HB+         3.50    (#   1658:20  Unique    2.29, 2.61 A)
 &rst
  ixpk= 1658, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  67,  68,
 igr2=  64,  65,
 &end
#
#   47 ILE  HB           47 ILE  HA          4.50    (#   1660:20  Unique    2.30, 2.36 A)
 &rst
  ixpk= 1660, nxpk= 20, iat= 756, 754, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 LEU  HB-          47 ILE  HA          4.50    (#   1661:20  Unique    3.92, 4.42 A)
 &rst
  ixpk= 1661, nxpk= 20, iat=  -1, 754, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 198, 199,
 &end
#
#   48 ALA  MB           47 ILE  HA          4.50    (#   1662:20  Unique    4.19, 4.80 A)
 &rst
  ixpk= 1662, nxpk= 20, iat=  -1, 754, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 775, 776, 777,
 &end
#
#    0 AMB  20-2:1663    47 ILE  HA          4.50    (#   1663:20  Single Ambig)
 &rst
  ixpk= 1663, nxpk= 20, iat=  -1, 754, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   13 LEU  HB+          47 ILE  HA          4.50    (#   1664:20  Unique    3.92, 4.42 A)
 &rst
  ixpk= 1664, nxpk= 20, iat=  -1, 754, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 198, 199,
 &end
#
#   14 THR  HA           47 ILE  HA          3.50    (#   1665:20  Unique    2.23, 2.36 A)
 &rst
  ixpk= 1665, nxpk= 20, iat= 215, 754, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 ILE  HN           47 ILE  HA          4.50    (#   1667:20  Unique    2.91, 2.93 A)
 &rst
  ixpk= 1667, nxpk= 20, iat= 752, 754, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 ASN  HN           47 ILE  HA          4.50    (#   1668:20  Unique    4.09, 4.18 A)
 &rst
  ixpk= 1668, nxpk= 20, iat= 227, 754, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 GLN  HA           31 GLN  HB+         3.50    (#   1670:20  Unique    2.36, 2.72 A)
 &rst
  ixpk= 1670, nxpk= 20, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 485, 486,
 &end
#
#    2 GLN  HG+           2 GLN  HB+         2.80    (#   1672:20  Unique    2.30, 2.72 A)
 &rst
  ixpk= 1672, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  21,  22,
 igr2=  18,  19,
 &end
#
#    0 AMB  20-2:1673     0 AMB  20-1:1673   2.80    (#   1673:20  Double Ambig)
 &rst
  ixpk= 1673, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  52,  53,  21,  22,1005,1006,
 igr2=  18,  19,1002,1003,
 &end
#
#   60 ALA  MB           57 GLN  HA          3.50    (#   1674:20  Unique    2.55, 3.47 A)
 &rst
  ixpk= 1674, nxpk= 20, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 960, 961, 962,
 &end
#
#   57 GLN  HB-          57 GLN  HA          4.50    (#   1675:20  Unique    2.49, 2.77 A)
 &rst
  ixpk= 1675, nxpk= 20, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 918, 919,
 &end
#
#    0 AMB  20-2:1676    57 GLN  HA          4.50    (#   1676:20  Single Ambig)
 &rst
  ixpk= 1676, nxpk= 20, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 956, 926, 927,
 &end
#
#   58 SER  HN           57 GLN  HA          4.50    (#   1677:20  Unique    3.58, 3.64 A)
 &rst
  ixpk= 1677, nxpk= 20, iat= 931, 916, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   62 LYS  HB+          59 ASN  HA          4.50    (#   1678:20  Unique    2.25, 3.07 A)
 &rst
  ixpk= 1678, nxpk= 20, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 980, 981,
 &end
#
#   56 LEU  HB-          56 LEU  HA          2.80    (#   1679:20  Unique    2.41, 2.82 A)
 &rst
  ixpk= 1679, nxpk= 20, iat=  -1, 897, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 899, 900,
 &end
#
#   60 ALA  HN           56 LEU  HA          4.50    (#   1680:20  Unique    3.87, 3.99 A)
 &rst
  ixpk= 1680, nxpk= 20, iat= 956, 897, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 ARG  HD+          39 ARG  HG+         4.50    (#   1681:20  Unique    2.22, 2.71 A)
 &rst
  ixpk= 1681, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 622, 623,
 igr2= 619, 620,
 &end
#
#   39 ARG  HD+          39 ARG  HG-         4.50    (#   1682:20  Unique    2.22, 2.71 A)
 &rst
  ixpk= 1682, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 622, 623,
 igr2= 619, 620,
 &end
#
#    0 AMB  20-2:1683     0 AMB  20-1:1683   4.50    (#   1683:20  Double Ambig)
 &rst
  ixpk= 1683, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 616, 617, 616, 617, 588, 589,
 igr2= 619, 620, 619, 620, 619, 620,
 &end
#
#    0 AMB  20-2:1684    39 ARG  HG-         4.50    (#   1684:20  Single Ambig)
 &rst
  ixpk= 1684, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 616, 617, 616, 617, 588, 589,
 igr2= 619, 620,
 &end
#
#   40 LEU  MDX          40 LEU  HG          3.50    (#   1685:20  Unique    2.38, 2.66 A)
 &rst
  ixpk= 1685, nxpk= 20, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 645, 646, 647, 649, 650, 651,
 &end
#
#    0 AMB  20-2:1686     0 AMB  20-1:1686   5.50    (#   1686:20  Double Ambig)
 &rst
  ixpk= 1686, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=  87, 638,
 igr2=  95,  96, 390, 391, 392, 394, 395, 396,
 &end
#
#    7 PRO  HB-           7 PRO  HG-         3.50    (#   1687:20  Unique    2.37, 2.63 A)
 &rst
  ixpk= 1687, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  98,  99,
 igr2=  95,  96,
 &end
#
#    7 PRO  HB-           7 PRO  HG+         3.50    (#   1688:20  Unique    2.37, 2.63 A)
 &rst
  ixpk= 1688, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  98,  99,
 igr2=  95,  96,
 &end
#
#    7 PRO  HB+           7 PRO  HG+         3.50    (#   1689:20  Unique    2.37, 2.63 A)
 &rst
  ixpk= 1689, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  98,  99,
 igr2=  95,  96,
 &end
#
#   49 PHE  HD           49 PHE  HA          4.50    (#   1692:20  Unique    3.01, 3.60 A)
 &rst
  ixpk= 1692, nxpk= 20, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 789, 797,
 &end
#
#    0 AMB  20-2:1693    49 PHE  HA          5.50    (#   1693:20  Single Ambig)
 &rst
  ixpk= 1693, nxpk= 20, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 598, 614,
 &end
#
#   49 PHE  HB-          49 PHE  HA          4.50    (#   1694:20  Unique    2.48, 2.78 A)
 &rst
  ixpk= 1694, nxpk= 20, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 785, 786,
 &end
#
#    0 AMB  20-2:1696    49 PHE  HA          4.50    (#   1696:20  Single Ambig)
 &rst
  ixpk= 1696, nxpk= 20, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 805, 201,
 &end
#
#   48 ALA  MB           49 PHE  HA          5.50    (#   1697:20  Unique    4.35, 4.85 A)
 &rst
  ixpk= 1697, nxpk= 20, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 775, 776, 777,
 &end
#
#    0 AMB  20-2:1698     0 AMB  20-1:1698   3.50    (#   1698:20  Double Ambig)
 &rst
  ixpk= 1698, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  52,  53,  21,  22,
 igr2=  47,  16,
 &end
#
#    4 GLU  HB+           4 GLU  HA          2.80    (#   1699:20  Unique    2.37, 2.66 A)
 &rst
  ixpk= 1699, nxpk= 20, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  49,  50,
 &end
#
#    0 AMB  20-2:1700     0 AMB  20-1:1700   2.80    (#   1700:20  Double Ambig)
 &rst
  ixpk= 1700, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=  49,  50,  18,  19,
 igr2=  47,  16,
 &end
#
#   83 LYS  HN            0 AMB  20-1:1706   3.50    (#   1706:20  Single Ambig)
 &rst
  ixpk= 1706, nxpk= 20, iat=1320,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1300,1322,
 &end
#
#   56 LEU  HA            7 PRO  HG-         5.50    (#   1708:20  Unique    4.90, 5.58 A)
 &rst
  ixpk= 1708, nxpk= 20, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  95,  96,
 &end
#
#   40 LEU  HN           40 LEU  HG          4.50    (#   1709:20  Unique    2.52, 2.73 A)
 &rst
  ixpk= 1709, nxpk= 20, iat= 636, 643, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:1710     0 AMB  20-1:1710   4.50    (#   1710:20  Double Ambig)
 &rst
  ixpk= 1710, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 983, 984, 983, 984,
 igr2= 986, 987, 986, 987,
 &end
#
#    0 AMB  20-2:1711    62 LYS  HD-         4.50    (#   1711:20  Single Ambig)
 &rst
  ixpk= 1711, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 983, 984, 983, 984,
 igr2= 986, 987,
 &end
#
#   74 HIS  HB-          74 HIS  HA          4.50    (#   1714:20  Unique    2.41, 2.75 A)
 &rst
  ixpk= 1714, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1173,1174,
 &end
#
#   12 PHE  HB+          12 PHE  HA          4.50    (#   1715:20  Unique    2.45, 2.76 A)
 &rst
  ixpk= 1715, nxpk= 20, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 178, 179,
 &end
#
#   12 PHE  HB-          12 PHE  HA          4.50    (#   1716:20  Unique    2.45, 2.76 A)
 &rst
  ixpk= 1716, nxpk= 20, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 178, 179,
 &end
#
#   49 PHE  HA           12 PHE  HA          4.50    (#   1718:20  Unique    2.31, 2.42 A)
 &rst
  ixpk= 1718, nxpk= 20, iat= 783, 176, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 PHE  HD           12 PHE  HA          4.50    (#   1719:20  Unique    2.15, 3.45 A)
 &rst
  ixpk= 1719, nxpk= 20, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 182, 190,
 &end
#
#    8 ASN  HD2-         51 GLU  HA          7.00    (#   1720:20  Unique    6.54, 7.24 A)
 &rst
  ixpk= 1720, nxpk= 20, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 114, 115,
 &end
#
#   49 PHE  HD           12 PHE  HA          4.50    (#   1721:20  Unique    2.86, 4.09 A)
 &rst
  ixpk= 1721, nxpk= 20, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 789, 797,
 &end
#
#   12 PHE  HN           12 PHE  HA          5.50    (#   1722:20  Unique    2.96, 2.97 A)
 &rst
  ixpk= 1722, nxpk= 20, iat= 174, 176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   81 ALA  MB           12 PHE  HA          5.50    (#   1723:20  Unique    3.60, 4.92 A)
 &rst
  ixpk= 1723, nxpk= 20, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1292,1293,1294,
 &end
#
#    0 AMB  20-2:1724    12 PHE  HA          5.50    (#   1724:20  Single Ambig)
 &rst
  ixpk= 1724, nxpk= 20, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 198, 199, 805, 201,
 &end
#
#   59 ASN  HD2+         60 ALA  HA          4.50    (#   1725:20  Unique    3.53, 4.31 A)
 &rst
  ixpk= 1725, nxpk= 20, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 951, 952,
 &end
#
#   59 ASN  HD2-         60 ALA  HA          4.50    (#   1726:20  Unique    3.53, 4.31 A)
 &rst
  ixpk= 1726, nxpk= 20, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 951, 952,
 &end
#
#   60 ALA  MB           60 ALA  HA          2.80    (#   1727:20  Unique    2.43, 2.65 A)
 &rst
  ixpk= 1727, nxpk= 20, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 960, 961, 962,
 &end
#
#   64 ALA  MB           64 ALA  HA          2.80    (#   1729:20  Unique    2.45, 2.66 A)
 &rst
  ixpk= 1729, nxpk= 20, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1017,1018,1019,
 &end
#
#   43 ASN  HD2+         43 ASN  HA          5.50    (#   1731:20  Unique    2.48, 4.51 A)
 &rst
  ixpk= 1731, nxpk= 20, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 694, 695,
 &end
#
#    0 AMB  20-2:1734    69 LYS  HA          3.50    (#   1734:20  Single Ambig)
 &rst
  ixpk= 1734, nxpk= 20, iat=  -1,1088, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1093,1094,1190,1191,1192,
 &end
#
#   69 LYS  HB-          69 LYS  HA          4.50    (#   1735:20  Unique    2.41, 2.77 A)
 &rst
  ixpk= 1735, nxpk= 20, iat=  -1,1088, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1090,1091,
 &end
#
#    0 AMB  20-2:1736    69 LYS  HA          3.50    (#   1736:20  Single Ambig)
 &rst
  ixpk= 1736, nxpk= 20, iat=  -1,1088, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1096,1097,1090,1091,
 &end
#
#   70 ILE  HN           69 LYS  HA          3.50    (#   1737:20  Unique    2.18, 2.21 A)
 &rst
  ixpk= 1737, nxpk= 20, iat=1108,1088, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 GLU  HG-          56 LEU  MDX         4.50    (#   1738:20  Unique    4.94, 7.30 A)
 &rst
  ixpk= 1738, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 887, 888,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#    0 AMB  20-2:1739    56 LEU  MDX         2.80    (#   1739:20  Single Ambig)
 &rst
  ixpk= 1739, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 902, 899, 900, 884, 885, 884, 885,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   56 LEU  HB-          56 LEU  MDX         2.80    (#   1740:20  Unique    2.42, 3.47 A)
 &rst
  ixpk= 1740, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 899, 900,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#    0 AMB  20-2:1741     0 AMB  20-1:1741   3.50    (#   1741:20  Double Ambig)
 &rst
  ixpk= 1741, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1333,1334,1333,1334,1333,1334,1311,1312,1311,1312,
      
 igr2=1327,1328,1327,1328,1327,1328,1305,1306,
 &end
#
#    0 AMB  20-2:1742     0 AMB  20-1:1742   3.50    (#   1742:20  Double Ambig)
 &rst
  ixpk= 1742, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 572, 573, 572, 573,
 igr2= 566, 567, 566, 567,
 &end
#
#    0 AMB  20-2:1743    36 LYS  HG-         3.50    (#   1743:20  Single Ambig)
 &rst
  ixpk= 1743, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 572, 573, 572, 573,
 igr2= 566, 567,
 &end
#
#   36 LYS  HN           36 LYS  HG+         4.50    (#   1744:20  Unique    2.69, 3.68 A)
 &rst
  ixpk= 1744, nxpk= 20, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 566, 567,
 &end
#
#   36 LYS  HN           36 LYS  HG-         4.50    (#   1745:20  Unique    2.69, 3.68 A)
 &rst
  ixpk= 1745, nxpk= 20, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 566, 567,
 &end
#
#   37 GLU  HN           36 LYS  HG+         4.50    (#   1746:20  Unique    4.18, 4.77 A)
 &rst
  ixpk= 1746, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 566, 567,
 &end
#
#   37 GLU  HN           36 LYS  HG-         5.50    (#   1747:20  Unique    4.18, 4.77 A)
 &rst
  ixpk= 1747, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 566, 567,
 &end
#
#   36 LYS  HD+          36 LYS  HG+         3.50    (#   1748:20  Unique    2.35, 2.60 A)
 &rst
  ixpk= 1748, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 569, 570,
 igr2= 566, 567,
 &end
#
#   36 LYS  HD+          36 LYS  HG-         3.50    (#   1749:20  Unique    2.35, 2.60 A)
 &rst
  ixpk= 1749, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 569, 570,
 igr2= 566, 567,
 &end
#
#   28 LEU  HB-          28 LEU  MDY         3.50    (#   1753:20  Unique    2.41, 3.32 A)
 &rst
  ixpk= 1753, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 432, 433,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#   28 LEU  HG           28 LEU  MDY         3.50    (#   1754:20  Unique    2.44, 2.66 A)
 &rst
  ixpk= 1754, nxpk= 20, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#   28 LEU  HB+          28 LEU  MDY         2.80    (#   1755:20  Unique    2.41, 3.32 A)
 &rst
  ixpk= 1755, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 432, 433,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#   25 LEU  MDX          28 LEU  MDY         3.50    (#   1756:20  Unique    2.42, 6.86 A)
 &rst
  ixpk= 1756, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#    0 AMB  20-2:1758    28 LEU  MDY         2.80    (#   1758:20  Single Ambig)
 &rst
  ixpk= 1758, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1207,1208,1209, 422, 423, 424, 368, 369,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#   65 LEU  MDX          28 LEU  MDY         4.50    (#   1759:20  Unique    3.36, 5.66 A)
 &rst
  ixpk= 1759, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#    0 AMB  20-2:1762    28 LEU  MDY         5.50    (#   1762:20  Single Ambig)
 &rst
  ixpk= 1762, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 418, 419, 418, 419,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#   25 LEU  MDY          28 LEU  MDY         4.50    (#   1763:20  Unique    2.42, 6.86 A)
 &rst
  ixpk= 1763, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#   58 SER  HB+          11 LEU  MDX         5.50    (#   1765:20  Unique    2.10, 3.88 A)
 &rst
  ixpk= 1765, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 935, 936,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   58 SER  HB-          11 LEU  MDX         4.50    (#   1766:20  Unique    2.10, 3.88 A)
 &rst
  ixpk= 1766, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 935, 936,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   62 LYS  HA           11 LEU  MDX         5.50    (#   1767:20  Unique    3.13, 5.09 A)
 &rst
  ixpk= 1767, nxpk= 20, iat= 978,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   11 LEU  HG           11 LEU  MDX         3.50    (#   1768:20  Unique    2.38, 2.66 A)
 &rst
  ixpk= 1768, nxpk= 20, iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   50 VAL  HB           11 LEU  MDX         4.50    (#   1769:20  Unique    2.78, 4.95 A)
 &rst
  ixpk= 1769, nxpk= 20, iat= 805,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   11 LEU  HB-          11 LEU  MDX         4.50    (#   1770:20  Unique    2.30, 3.33 A)
 &rst
  ixpk= 1770, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 159, 160,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   50 VAL  MGX          11 LEU  MDX         4.50    (#   1772:20  Unique    3.39, 6.65 A)
 &rst
  ixpk= 1772, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 807, 808, 809, 811, 812, 813,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   50 VAL  MGY          11 LEU  MDX         4.50    (#   1773:20  Unique    3.39, 6.65 A)
 &rst
  ixpk= 1773, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 807, 808, 809, 811, 812, 813,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#    0 AMB  20-2:1774    56 LEU  MDX         4.50    (#   1774:20  Single Ambig)
 &rst
  ixpk= 1774, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 921, 922, 921, 922,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#    8 ASN  HB-          82 LYS  HG+         7.00    (#   1776:20  Unique    6.64, 7.75 A)
 &rst
  ixpk= 1776, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 109, 110,
 igr2=1305,1306,
 &end
#
#    0 AMB  20-2:1777     0 AMB  20-1:1777   2.80    (#   1777:20  Double Ambig)
 &rst
  ixpk= 1777, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1217,1218,1217,1218,1226,1227,
 igr2=1220,1221,1220,1221,1220,1221,
 &end
#
#   50 VAL  MGY          13 LEU  MDX         4.50    (#   1781:20  Unique    2.23, 4.91 A)
 &rst
  ixpk= 1781, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 807, 808, 809, 811, 812, 813,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   50 VAL  MGY          13 LEU  MDY         3.50    (#   1782:20  Unique    2.23, 4.91 A)
 &rst
  ixpk= 1782, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 807, 808, 809, 811, 812, 813,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   48 ALA  MB           13 LEU  MDX         4.50    (#   1783:20  Unique    2.94, 5.54 A)
 &rst
  ixpk= 1783, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 775, 776, 777,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:1784    13 LEU  MDX         2.80    (#   1784:20  Single Ambig)
 &rst
  ixpk= 1784, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 198, 199, 159, 160,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   48 ALA  MB           13 LEU  MDY         3.50    (#   1785:20  Unique    2.94, 5.54 A)
 &rst
  ixpk= 1785, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 775, 776, 777,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:1786    13 LEU  MDY         3.50    (#   1786:20  Single Ambig)
 &rst
  ixpk= 1786, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 198, 199, 159, 160,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:1787    13 LEU  MDY         2.80    (#   1787:20  Single Ambig)
 &rst
  ixpk= 1787, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 198, 199, 201,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:1788    13 LEU  MDX         2.80    (#   1788:20  Single Ambig)
 &rst
  ixpk= 1788, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 198, 199, 201, 805,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   25 LEU  MDY          13 LEU  MDX         4.50    (#   1789:20  Unique    2.33, 5.47 A)
 &rst
  ixpk= 1789, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   25 LEU  MDY          13 LEU  MDY         4.50    (#   1790:20  Unique    2.33, 5.47 A)
 &rst
  ixpk= 1790, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   76 MET  ME           13 LEU  MDY         3.50    (#   1791:20  Unique    2.92, 5.71 A)
 &rst
  ixpk= 1791, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1207,1208,1209,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   76 MET  ME           13 LEU  MDX         3.50    (#   1792:20  Unique    2.92, 5.71 A)
 &rst
  ixpk= 1792, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1207,1208,1209,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   76 MET  HG+          13 LEU  MDX         3.50    (#   1793:20  Unique    3.02, 4.89 A)
 &rst
  ixpk= 1793, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1203,1204,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   48 ALA  HN           13 LEU  MDX         5.50    (#   1794:20  Unique    5.20, 6.02 A)
 &rst
  ixpk= 1794, nxpk= 20, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   48 ALA  HN           13 LEU  MDY         5.50    (#   1795:20  Unique    5.20, 6.02 A)
 &rst
  ixpk= 1795, nxpk= 20, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   14 THR  HN           13 LEU  MDY         5.50    (#   1796:20  Unique    4.35, 5.33 A)
 &rst
  ixpk= 1796, nxpk= 20, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:1797    40 LEU  MDX         3.50    (#   1797:20  Single Ambig)
 &rst
  ixpk= 1797, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 320, 725,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#    0 AMB  20-2:1798    25 LEU  HG          5.50    (#   1798:20  Single Ambig)
 &rst
  ixpk= 1798, nxpk= 20, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 368, 369, 339, 340,
 &end
#
#    0 AMB  20-2:1799    25 LEU  HG          4.50    (#   1799:20  Single Ambig)
 &rst
  ixpk= 1799, nxpk= 20, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 368, 369,1207,1208,1209,
 &end
#
#   25 LEU  MDY          25 LEU  HG          3.50    (#   1800:20  Unique    2.36, 2.66 A)
 &rst
  ixpk= 1800, nxpk= 20, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 390, 391, 392, 394, 395, 396,
 &end
#
#   25 LEU  HB-          25 LEU  HG          4.50    (#   1801:20  Unique    2.34, 2.70 A)
 &rst
  ixpk= 1801, nxpk= 20, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 385, 386,
 &end
#
#   20 THR  MG2          25 LEU  HG          2.80    (#   1802:20  Unique    2.37, 2.83 A)
 &rst
  ixpk= 1802, nxpk= 20, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 310, 311, 312,
 &end
#
#    0 AMB  20-2:1803    25 LEU  HG          3.50    (#   1803:20  Single Ambig)
 &rst
  ixpk= 1803, nxpk= 20, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 602, 603, 604, 606, 607, 608,1121,1122,1123, 432,
       433,
 &end
#
#   40 LEU  MDY          25 LEU  HG          3.50    (#   1804:20  Unique    2.79, 5.16 A)
 &rst
  ixpk= 1804, nxpk= 20, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 645, 646, 647, 649, 650, 651,
 &end
#
#   50 VAL  MGX          25 LEU  HG          5.50    (#   1805:20  Unique    5.78, 7.56 A)
 &rst
  ixpk= 1805, nxpk= 20, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 807, 808, 809, 811, 812, 813,
 &end
#
#   16 LEU  HB+          16 LEU  HG          3.50    (#   1806:20  Unique    2.44, 2.75 A)
 &rst
  ixpk= 1806, nxpk= 20, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 245, 246,
 &end
#
#   16 LEU  HB-          16 LEU  HG          3.50    (#   1807:20  Unique    2.44, 2.75 A)
 &rst
  ixpk= 1807, nxpk= 20, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 245, 246,
 &end
#
#   13 LEU  HB-          16 LEU  HG          4.50    (#   1808:20  Unique    3.41, 4.24 A)
 &rst
  ixpk= 1808, nxpk= 20, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 198, 199,
 &end
#
#    0 AMB  20-2:1809    16 LEU  HG          4.50    (#   1809:20  Single Ambig)
 &rst
  ixpk= 1809, nxpk= 20, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 775, 776, 777, 310, 311, 312,
 &end
#
#   70 ILE  MD1          16 LEU  HG          4.50    (#   1810:20  Unique    4.83, 4.96 A)
 &rst
  ixpk= 1810, nxpk= 20, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1121,1122,1123,
 &end
#
#   16 LEU  MDX          16 LEU  HG          2.80    (#   1811:20  Unique    2.38, 2.65 A)
 &rst
  ixpk= 1811, nxpk= 20, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 250, 251, 252, 254, 255, 256,
 &end
#
#    0 AMB  20-2:1812     0 AMB  20-1:1812   2.80    (#   1812:20  Double Ambig)
 &rst
  ixpk= 1812, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=1308,1309,1308,1309,1226,1227,1226,1227,
 igr2=1305,1306,1305,1306,1220,1221,1220,1221,
 &end
#
#    0 AMB  20-2:1813     0 AMB  20-1:1813   2.80    (#   1813:20  Double Ambig)
 &rst
  ixpk= 1813, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1=1308,1309,1308,1309,1330,1331,1330,1331,1330,1331,
      
 igr2=1305,1306,1327,1328,1327,1328,1327,1328,
 &end
#
#   76 MET  ME           65 LEU  MDX         4.50    (#   1814:20  Unique    3.06, 5.76 A)
 &rst
  ixpk= 1814, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1207,1208,1209,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#    0 AMB  20-2:1815    65 LEU  MDX         4.50    (#   1815:20  Single Ambig)
 &rst
  ixpk= 1815, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 432, 433, 485, 486,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   64 ALA  MB           65 LEU  MDX         4.50    (#   1816:20  Unique    3.70, 5.41 A)
 &rst
  ixpk= 1816, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1017,1018,1019,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#    0 AMB  20-2:1817    65 LEU  MDX         2.80    (#   1817:20  Single Ambig)
 &rst
  ixpk= 1817, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1027,1028,1027,1028,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   65 LEU  HG           65 LEU  MDX         3.50    (#   1818:20  Unique    2.44, 2.67 A)
 &rst
  ixpk= 1818, nxpk= 20, iat=1030,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   28 LEU  HB+          65 LEU  MDX         3.50    (#   1819:20  Unique    2.59, 4.60 A)
 &rst
  ixpk= 1819, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 432, 433,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   61 ALA  MB           65 LEU  MDX         4.50    (#   1820:20  Unique    3.36, 6.57 A)
 &rst
  ixpk= 1820, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 970, 971, 972,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   28 LEU  MDY          65 LEU  MDX         3.50    (#   1821:20  Unique    3.36, 5.66 A)
 &rst
  ixpk= 1821, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 437, 438, 439, 441, 442, 443,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   61 ALA  HA           65 LEU  MDX         5.50    (#   1823:20  Unique    4.36, 5.79 A)
 &rst
  ixpk= 1823, nxpk= 20, iat= 968,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   21 ASN  HB+          40 LEU  MDX         5.50    (#   1824:20  Unique    3.56, 6.37 A)
 &rst
  ixpk= 1824, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 322, 323,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#    0 AMB  20-2:1825    40 LEU  MDX         3.50    (#   1825:20  Single Ambig)
 &rst
  ixpk= 1825, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 339, 340, 339, 340,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   22 GLU  HB-          40 LEU  MDX         3.50    (#   1826:20  Unique    2.63, 4.85 A)
 &rst
  ixpk= 1826, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 336, 337,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   22 GLU  HB+          40 LEU  MDX         4.50    (#   1827:20  Unique    2.63, 4.85 A)
 &rst
  ixpk= 1827, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 336, 337,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   40 LEU  HB+          40 LEU  MDX         2.80    (#   1828:20  Unique    2.30, 3.34 A)
 &rst
  ixpk= 1828, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 640, 641,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   40 LEU  HB-          40 LEU  MDX         2.80    (#   1829:20  Unique    2.30, 3.34 A)
 &rst
  ixpk= 1829, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 640, 641,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   40 LEU  HG           40 LEU  MDX         2.80    (#   1830:20  Unique    2.38, 2.66 A)
 &rst
  ixpk= 1830, nxpk= 20, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   40 LEU  HN           40 LEU  HA          4.50    (#   1836:20  Unique    2.91, 2.96 A)
 &rst
  ixpk= 1836, nxpk= 20, iat= 636, 638, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 LEU  HB-          40 LEU  HA          4.50    (#   1837:20  Unique    2.39, 2.76 A)
 &rst
  ixpk= 1837, nxpk= 20, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 640, 641,
 &end
#
#   40 LEU  HB+          40 LEU  HA          3.50    (#   1838:20  Unique    2.39, 2.76 A)
 &rst
  ixpk= 1838, nxpk= 20, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 640, 641,
 &end
#
#    5 GLN  HN            5 GLN  HA          4.50    (#   1839:20  Unique    2.83, 2.92 A)
 &rst
  ixpk= 1839, nxpk= 20, iat=  60,  62, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 GLN  HG+           5 GLN  HA          4.50    (#   1840:20  Unique    2.38, 3.42 A)
 &rst
  ixpk= 1840, nxpk= 20, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  67,  68,
 &end
#
#    5 GLN  HG-           5 GLN  HA          4.50    (#   1841:20  Unique    2.38, 3.42 A)
 &rst
  ixpk= 1841, nxpk= 20, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  67,  68,
 &end
#
#    5 GLN  HB+           5 GLN  HA          3.50    (#   1842:20  Unique    2.54, 2.82 A)
 &rst
  ixpk= 1842, nxpk= 20, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  64,  65,
 &end
#
#    5 GLN  HB-           5 GLN  HA          3.50    (#   1843:20  Unique    2.54, 2.82 A)
 &rst
  ixpk= 1843, nxpk= 20, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  64,  65,
 &end
#
#   48 ALA  MB           48 ALA  HA          2.80    (#   1844:20  Unique    2.45, 2.68 A)
 &rst
  ixpk= 1844, nxpk= 20, iat=  -1, 773, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 775, 776, 777,
 &end
#
#    0 AMB  20-2:1845     0 AMB  20-1:1845   3.50    (#   1845:20  Double Ambig)
 &rst
  ixpk= 1845, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 250, 251, 252, 254, 255, 256, 645, 646, 647, 649,
       650, 651,
 igr2= 243, 773,
 &end
#
#   40 LEU  HA           48 ALA  HA          3.50    (#   1846:20  Unique    2.29, 2.54 A)
 &rst
  ixpk= 1846, nxpk= 20, iat= 638, 773, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   41 VAL  HN           48 ALA  HA          4.50    (#   1847:20  Unique    2.50, 3.28 A)
 &rst
  ixpk= 1847, nxpk= 20, iat= 655, 773, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 PRO  HD+          16 LEU  HA          4.50    (#   1849:20  Unique    2.33, 2.48 A)
 &rst
  ixpk= 1849, nxpk= 20, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 261, 262,
 &end
#
#    0 AMB  20-2:1850    81 ALA  HA          4.50    (#   1850:20  Single Ambig)
 &rst
  ixpk= 1850, nxpk= 20, iat=  -1,1290, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 791, 795, 114, 115,
 &end
#
#    0 AMB  20-2:1852    81 ALA  HA          4.50    (#   1852:20  Single Ambig)
 &rst
  ixpk= 1852, nxpk= 20, iat=  -1,1290, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1308,1309,1308,1309,
 &end
#
#    0 AMB  20-2:1853    81 ALA  HA          2.80    (#   1853:20  Single Ambig)
 &rst
  ixpk= 1853, nxpk= 20, iat=  -1,1290, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1=1292,1293,1294,1305,1306,
 &end
#
#   29 PHE  HB+          50 VAL  MGY         4.50    (#   1854:20  Unique    3.17, 4.92 A)
 &rst
  ixpk= 1854, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 451, 452,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   11 LEU  HB+          50 VAL  MGY         4.50    (#   1855:20  Unique    3.60, 5.05 A)
 &rst
  ixpk= 1855, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 159, 160,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   50 VAL  HB           50 VAL  MGY         2.80    (#   1856:20  Unique    2.42, 2.66 A)
 &rst
  ixpk= 1856, nxpk= 20, iat= 805,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   38 VAL  MGX          50 VAL  MGY         4.50    (#   1857:20  Unique    2.24, 5.02 A)
 &rst
  ixpk= 1857, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 602, 603, 604, 606, 607, 608,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   38 VAL  MGY          50 VAL  MGY         3.50    (#   1858:20  Unique    2.24, 5.02 A)
 &rst
  ixpk= 1858, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 602, 603, 604, 606, 607, 608,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   25 LEU  MDX          50 VAL  MGY         2.80    (#   1860:20  Unique    3.26, 6.69 A)
 &rst
  ixpk= 1860, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   76 MET  HB-           0 AMB  20-1:1862   4.50    (#   1862:20  Single Ambig)
 &rst
  ixpk= 1862, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1200,1201,
 igr2= 437, 438, 439, 441, 442, 443,1032,1033,1034,1036,
      1037,1038,
 &end
#
#    0 AMB  20-2:1863     0 AMB  20-1:1863   2.80    (#   1863:20  Double Ambig)
 &rst
  ixpk= 1863, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1=1207,1208,1209, 422, 423, 424,
 igr2= 437, 438, 439, 441, 442, 443,1032,1033,1034,1036,
      1037,1038,
 &end
#
#   28 LEU  HB-           0 AMB  20-1:1864   3.50    (#   1864:20  Single Ambig)
 &rst
  ixpk= 1864, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 432, 433,
 igr2= 437, 438, 439, 441, 442, 443,1032,1033,1034,1036,
      1037,1038,
 &end
#
#    0 AMB  20-2:1865     0 AMB  20-1:1865   2.80    (#   1865:20  Double Ambig)
 &rst
  ixpk= 1865, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 435,1017,1018,1019,
 igr2= 437, 438, 439, 441, 442, 443,1032,1033,1034,1036,
      1037,1038,
 &end
#
#    0 AMB  20-2:1866     0 AMB  20-1:1866   2.80    (#   1866:20  Double Ambig)
 &rst
  ixpk= 1866, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 432, 433, 432, 433,
 igr2= 437, 438, 439, 441, 442, 443,1032,1033,1034,1036,
      1037,1038,
 &end
#
#    0 AMB  20-2:1867    65 LEU  MDY         2.80    (#   1867:20  Single Ambig)
 &rst
  ixpk= 1867, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1027,1028,1027,1028,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   65 LEU  HG           65 LEU  MDY         3.50    (#   1868:20  Unique    2.44, 2.67 A)
 &rst
  ixpk= 1868, nxpk= 20, iat=1030,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   25 LEU  MDX          28 LEU  MDX         3.50    (#   1869:20  Unique    2.42, 6.86 A)
 &rst
  ixpk= 1869, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#    0 AMB  20-2:1871    28 LEU  MDX         4.50    (#   1871:20  Single Ambig)
 &rst
  ixpk= 1871, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 418, 419, 418, 419,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#    0 AMB  20-2:1873    28 LEU  MDX         5.50    (#   1873:20  Single Ambig)
 &rst
  ixpk= 1873, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 418, 419, 418, 419,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#   68 PHE  HB+          65 LEU  MDY         4.50    (#   1874:20  Unique    2.92, 4.77 A)
 &rst
  ixpk= 1874, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1070,1071,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   68 PHE  HB-          65 LEU  MDY         4.50    (#   1875:20  Unique    2.92, 4.77 A)
 &rst
  ixpk= 1875, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1070,1071,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#    0 AMB  20-2:1877    40 LEU  MDY         3.50    (#   1877:20  Single Ambig)
 &rst
  ixpk= 1877, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 339, 340, 339, 340,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   22 GLU  HB-          40 LEU  MDY         3.50    (#   1878:20  Unique    2.63, 4.85 A)
 &rst
  ixpk= 1878, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 336, 337,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   40 LEU  HB+          40 LEU  MDY         2.80    (#   1879:20  Unique    2.30, 3.34 A)
 &rst
  ixpk= 1879, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 640, 641,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   40 LEU  HG           40 LEU  MDY         2.80    (#   1880:20  Unique    2.38, 2.66 A)
 &rst
  ixpk= 1880, nxpk= 20, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#    0 AMB  20-2:1881    40 LEU  MDY         2.80    (#   1881:20  Single Ambig)
 &rst
  ixpk= 1881, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 775, 776, 777, 310, 311, 312,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#    0 AMB  20-2:1882    25 LEU  MDX         2.80    (#   1882:20  Single Ambig)
 &rst
  ixpk= 1882, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1207,1208,1209, 368, 369,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#   25 LEU  HB-          25 LEU  MDX         3.50    (#   1884:20  Unique    2.37, 3.35 A)
 &rst
  ixpk= 1884, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 385, 386,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#    0 AMB  20-2:1885    25 LEU  MDX         2.80    (#   1885:20  Single Ambig)
 &rst
  ixpk= 1885, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 310, 311, 312, 775, 776, 777,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#   24 MET  HB+          25 LEU  MDX         4.50    (#   1887:20  Unique    3.10, 5.42 A)
 &rst
  ixpk= 1887, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 368, 369,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#   22 GLU  HA           25 LEU  MDX         4.50    (#   1888:20  Unique    3.52, 5.52 A)
 &rst
  ixpk= 1888, nxpk= 20, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#    0 AMB  20-2:1891    25 LEU  MDX         2.80    (#   1891:20  Single Ambig)
 &rst
  ixpk= 1891, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 602, 603, 604, 606, 607, 608,1121,1122,1123, 432,
       433,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#   25 LEU  HG           25 LEU  MDX         2.80    (#   1892:20  Unique    2.36, 2.66 A)
 &rst
  ixpk= 1892, nxpk= 20, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#   47 ILE  HB           14 THR  MG2         4.50    (#   1893:20  Unique    2.39, 3.67 A)
 &rst
  ixpk= 1893, nxpk= 20, iat= 756,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 219, 220, 221,
 &end
#
#    0 AMB  20-2:1894    14 THR  MG2         4.50    (#   1894:20  Single Ambig)
 &rst
  ixpk= 1894, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1226,1227,1223,1224,1223,1224,
 igr2= 219, 220, 221,
 &end
#
#    0 AMB  20-2:1895    14 THR  MG2         4.50    (#   1895:20  Single Ambig)
 &rst
  ixpk= 1895, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
 igr1=1220,1221,1220,1221, 198, 199,1260,1261,1262,
 igr2= 219, 220, 221,
 &end
#
#    0 AMB  20-2:1896    14 THR  MG2         4.50    (#   1896:20  Single Ambig)
 &rst
  ixpk= 1896, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1226,1227,1217,1218,
 igr2= 219, 220, 221,
 &end
#
#    0 AMB  20-2:1898     0 AMB  20-1:1898   4.50    (#   1898:20  Double Ambig)
 &rst
  ixpk= 1898, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 672, 673, 672, 673,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   42 PRO  HD-           0 AMB  20-1:1899   4.50    (#   1899:20  Single Ambig)
 &rst
  ixpk= 1899, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 672, 673,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   41 VAL  HB            0 AMB  20-1:1900   2.80    (#   1900:20  Single Ambig)
 &rst
  ixpk= 1900, nxpk= 20, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#    0 AMB  20-2:1901     0 AMB  20-1:1901   3.50    (#   1901:20  Double Ambig)
 &rst
  ixpk= 1901, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 678, 679, 640, 641, 640, 641,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#    0 AMB  20-2:1902     0 AMB  20-1:1902   3.50    (#   1902:20  Double Ambig)
 &rst
  ixpk= 1902, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 706, 707, 706, 707, 706, 707,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   44 ARG  HB-           0 AMB  20-1:1903   3.50    (#   1903:20  Single Ambig)
 &rst
  ixpk= 1903, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 703, 704,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   12 PHE  HD           79 THR  MG2         5.50    (#   1904:20  Unique    3.11, 6.56 A)
 &rst
  ixpk= 1904, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 182, 190,
 igr2=1260,1261,1262,
 &end
#
#    0 AMB  20-2:1906    79 THR  MG2         4.50    (#   1906:20  Single Ambig)
 &rst
  ixpk= 1906, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 178, 179,  67,  68,
 igr2=1260,1261,1262,
 &end
#
#    2 GLN  HG+          79 THR  MG2         3.50    (#   1907:20  Unique    2.30, 4.79 A)
 &rst
  ixpk= 1907, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  21,  22,
 igr2=1260,1261,1262,
 &end
#
#    0 AMB  20-2:1908    79 THR  MG2         4.50    (#   1908:20  Single Ambig)
 &rst
  ixpk= 1908, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1223,1224,1223,1224,1308,1309,1308,1309,
 igr2=1260,1261,1262,
 &end
#
#    0 AMB  20-2:1909    61 ALA  MB          5.50    (#   1909:20  Single Ambig)
 &rst
  ixpk= 1909, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1017,1018,1019, 960, 961, 962,
 igr2= 970, 971, 972,
 &end
#
#    0 AMB  20-2:1911    47 ILE  MG2         2.80    (#   1911:20  Single Ambig)
 &rst
  ixpk= 1911, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 756, 703, 704,
 igr2= 758, 759, 760,
 &end
#
#   14 THR  MG2          47 ILE  MG2         2.80    (#   1912:20  Unique    2.21, 4.12 A)
 &rst
  ixpk= 1912, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 219, 220, 221,
 igr2= 758, 759, 760,
 &end
#
#   47 ILE  HG1-         47 ILE  MG2         3.50    (#   1913:20  Unique    2.31, 3.44 A)
 &rst
  ixpk= 1913, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 762, 763,
 igr2= 758, 759, 760,
 &end
#
#   38 VAL  MGX          25 LEU  HB-         4.50    (#   1917:20  Unique    2.10, 3.51 A)
 &rst
  ixpk= 1917, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 602, 603, 604, 606, 607, 608,
 igr2= 385, 386,
 &end
#
#   38 VAL  MGY          25 LEU  HB-         4.50    (#   1918:20  Unique    2.10, 3.51 A)
 &rst
  ixpk= 1918, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 602, 603, 604, 606, 607, 608,
 igr2= 385, 386,
 &end
#
#   25 LEU  MDX          25 LEU  HB-         2.80    (#   1919:20  Unique         2.37, 3.35 A)
 &rst
  ixpk= 1919, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 385, 386,
 &end
#
#   25 LEU  HA           25 LEU  HB-         4.50    (#   1921:20  Unique    2.43, 2.75 A)
 &rst
  ixpk= 1921, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 385, 386,
 &end
#
#    0 AMB  20-2:1922    25 LEU  HB-         4.50    (#   1922:20  Single Ambig)
 &rst
  ixpk= 1922, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 381, 457, 461,
 igr2= 385, 386,
 &end
#
#   25 LEU  HA           25 LEU  HB+         4.50    (#   1923:20  Unique    2.43, 2.75 A)
 &rst
  ixpk= 1923, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 385, 386,
 &end
#
#   38 VAL  MGX          25 LEU  HB+         4.50    (#   1925:20  Unique    2.10, 3.51 A)
 &rst
  ixpk= 1925, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 602, 603, 604, 606, 607, 608,
 igr2= 385, 386,
 &end
#
#   38 VAL  MGY          25 LEU  HB+         4.50    (#   1926:20  Unique    2.10, 3.51 A)
 &rst
  ixpk= 1926, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 602, 603, 604, 606, 607, 608,
 igr2= 385, 386,
 &end
#
#   25 LEU  MDX          25 LEU  HB+         4.50    (#   1927:20  Unique    2.37, 3.35 A)
 &rst
  ixpk= 1927, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 385, 386,
 &end
#
#   25 LEU  HG           25 LEU  HB+         5.50    (#   1928:20  Unique    2.34, 2.70 A)
 &rst
  ixpk= 1928, nxpk= 20, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 385, 386,
 &end
#
#   39 ARG  HG+          39 ARG  HD-         3.50    (#   1929:20  Unique    2.22, 2.71 A)
 &rst
  ixpk= 1929, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 619, 620,
 igr2= 622, 623,
 &end
#
#   39 ARG  HG-          39 ARG  HD-         4.50    (#   1930:20  Unique    2.22, 2.71 A)
 &rst
  ixpk= 1930, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 619, 620,
 igr2= 622, 623,
 &end
#
#   39 ARG  HG-          39 ARG  HD+         4.50    (#   1931:20  Unique    2.22, 2.71 A)
 &rst
  ixpk= 1931, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 619, 620,
 igr2= 622, 623,
 &end
#
#   44 ARG  HB-          44 ARG  HD-         5.50    (#   1932:20  Unique    2.47, 3.45 A)
 &rst
  ixpk= 1932, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 703, 704,
 igr2= 709, 710,
 &end
#
#   44 ARG  HB+          44 ARG  HD-         4.50    (#   1933:20  Unique    2.47, 3.45 A)
 &rst
  ixpk= 1933, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 703, 704,
 igr2= 709, 710,
 &end
#
#   44 ARG  HB-          44 ARG  HD+         5.50    (#   1934:20  Unique    2.47, 3.45 A)
 &rst
  ixpk= 1934, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 703, 704,
 igr2= 709, 710,
 &end
#
#   44 ARG  HB+          44 ARG  HD+         4.50    (#   1935:20  Unique    2.47, 3.45 A)
 &rst
  ixpk= 1935, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 703, 704,
 igr2= 709, 710,
 &end
#
#   47 ILE  MD1          44 ARG  HD-         5.50    (#   1936:20  Unique    2.38, 4.74 A)
 &rst
  ixpk= 1936, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 765, 766, 767,
 igr2= 709, 710,
 &end
#
#   47 ILE  MD1          44 ARG  HD+         5.50    (#   1937:20  Unique    2.38, 4.74 A)
 &rst
  ixpk= 1937, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 765, 766, 767,
 igr2= 709, 710,
 &end
#
#   44 ARG  HD-          47 ILE  MD1         4.50    (#   1941:20  Unique    2.38, 4.74 A)
 &rst
  ixpk= 1941, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 709, 710,
 igr2= 765, 766, 767,
 &end
#
#   44 ARG  HD+          47 ILE  MD1         5.50    (#   1942:20  Unique    2.38, 4.74 A)
 &rst
  ixpk= 1942, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 709, 710,
 igr2= 765, 766, 767,
 &end
#
#    0 AMB  20-2:1943    10 ILE  MD1         3.50    (#   1943:20  Single Ambig)
 &rst
  ixpk= 1943, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 126, 127, 126, 127,
 igr2= 149, 150, 151,
 &end
#
#   51 GLU  HG+          10 ILE  MD1         3.50    (#   1944:20  Unique    2.30, 5.12 A)
 &rst
  ixpk= 1944, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 824, 825,
 igr2= 149, 150, 151,
 &end
#
#   51 GLU  HG-          10 ILE  MD1         4.50    (#   1945:20  Unique    2.30, 5.12 A)
 &rst
  ixpk= 1945, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 824, 825,
 igr2= 149, 150, 151,
 &end
#
#    0 AMB  20-2:1946    10 ILE  MD1         3.50    (#   1946:20  Single Ambig)
 &rst
  ixpk= 1946, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1327,1328,1327,1328,
 igr2= 149, 150, 151,
 &end
#
#   10 ILE  MG2          10 ILE  MD1         2.80    (#   1947:20  Unique    2.22, 3.67 A)
 &rst
  ixpk= 1947, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 142, 143, 144,
 igr2= 149, 150, 151,
 &end
#
#    0 AMB  20-2:1949    10 ILE  MD1         2.80    (#   1949:20  Single Ambig)
 &rst
  ixpk= 1949, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1324,1325,1324,1325, 140,
 igr2= 149, 150, 151,
 &end
#
#    0 AMB  20-2:1950    10 ILE  MD1         2.80    (#   1950:20  Single Ambig)
 &rst
  ixpk= 1950, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1330,1331,1330,1331,
 igr2= 149, 150, 151,
 &end
#
#   66 GLN  HE2-         62 LYS  HE+         5.50    (#   1955:20  Unique    2.22, 3.62 A)
 &rst
  ixpk= 1955, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1054,1055,
 igr2= 989, 990,
 &end
#
#   66 GLN  HE2-         62 LYS  HE-         5.50    (#   1956:20  Unique    2.22, 3.62 A)
 &rst
  ixpk= 1956, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1054,1055,
 igr2= 989, 990,
 &end
#
#   66 GLN  HE2+         62 LYS  HE-         4.50    (#   1957:20  Unique    2.22, 3.62 A)
 &rst
  ixpk= 1957, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1054,1055,
 igr2= 989, 990,
 &end
#
#   79 THR  MG2          62 LYS  HE+         5.50    (#   1960:20  Unique    4.20, 6.69 A)
 &rst
  ixpk= 1960, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1260,1261,1262,
 igr2= 989, 990,
 &end
#
#   79 THR  MG2          62 LYS  HE-         5.50    (#   1961:20  Unique    4.20, 6.69 A)
 &rst
  ixpk= 1961, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1260,1261,1262,
 igr2= 989, 990,
 &end
#
#    0 AMB  20-2:1962    62 LYS  HE-         5.50    (#   1962:20  Single Ambig)
 &rst
  ixpk= 1962, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 983, 984, 983, 984,
 igr2= 989, 990,
 &end
#
#    0 AMB  20-2:1963     0 AMB  20-1:1963   5.50    (#   1963:20  Double Ambig)
 &rst
  ixpk= 1963, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 983, 984, 983, 984,
 igr2= 989, 990, 989, 990,
 &end
#
#    4 GLU  HN            3 THR  HB          4.50    (#   1966:20  Unique    2.02, 3.45 A)
 &rst
  ixpk= 1966, nxpk= 20, iat=  45,  35, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 PHE  HN           29 PHE  HB-         4.50    (#   1968:20  Unique    2.35, 3.00 A)
 &rst
  ixpk= 1968, nxpk= 20, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 451, 452,
 &end
#
#   35 PHE  HZ           29 PHE  HB-         4.50    (#   1969:20  Unique    3.74, 4.43 A)
 &rst
  ixpk= 1969, nxpk= 20, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 451, 452,
 &end
#
#   29 PHE  HD           29 PHE  HB-         4.50    (#   1970:20  Unique    2.31, 3.08 A)
 &rst
  ixpk= 1970, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 455, 463,
 igr2= 451, 452,
 &end
#
#   25 LEU  HA           28 LEU  HB-         5.50    (#   1971:20  Unique    2.33, 3.26 A)
 &rst
  ixpk= 1971, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 432, 433,
 &end
#
#   76 MET  ME           28 LEU  HB-         4.50    (#   1972:20  Unique    3.52, 4.70 A)
 &rst
  ixpk= 1972, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1207,1208,1209,
 igr2= 432, 433,
 &end
#
#   12 PHE  HN           49 PHE  HB-         7.00    (#   1973:20  Unique    5.76, 6.71 A)
 &rst
  ixpk= 1973, nxpk= 20, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 785, 786,
 &end
#
#   65 LEU  MDY           0 AMB  20-1:1975   4.50    (#   1975:20  Single Ambig)
 &rst
  ixpk= 1975, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2=1027,1028,1027,1028,
 &end
#
#   68 PHE  HA           68 PHE  HB-         4.50    (#   1982:20  Unique    2.42, 2.74 A)
 &rst
  ixpk= 1982, nxpk= 20, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1070,1071,
 &end
#
#   76 MET  ME           68 PHE  HB-         4.50    (#   1983:20  Unique    3.06, 4.98 A)
 &rst
  ixpk= 1983, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1207,1208,1209,
 igr2=1070,1071,
 &end
#
#    0 AMB  20-2:1986     0 AMB  20-1:1986   4.50    (#   1986:20  Double Ambig)
 &rst
  ixpk= 1986, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 519, 520, 469,
 igr2= 502, 503, 543, 544,
 &end
#
#   32 PHE  HN            0 AMB  20-1:1989   4.50    (#   1989:20  Single Ambig)
 &rst
  ixpk= 1989, nxpk= 20, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 502, 503, 543, 544,
 &end
#
#   32 PHE  HA           32 PHE  HB-         5.50    (#   1991:20  Unique    2.36, 2.70 A)
 &rst
  ixpk= 1991, nxpk= 20, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 502, 503,
 &end
#
#   30 ASN  HA           35 PHE  HB-         5.50    (#   1993:20  Unique    2.70, 4.04 A)
 &rst
  ixpk= 1993, nxpk= 20, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 543, 544,
 &end
#
#   20 THR  HA           20 THR  HB          3.50    (#   1995:20  Unique    3.04, 3.05 A)
 &rst
  ixpk= 1995, nxpk= 20, iat= 306, 308, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1996    20 THR  HB          5.50    (#   1996:20  Single Ambig)
 &rst
  ixpk= 1996, nxpk= 20, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 368, 369, 281, 282, 281, 282,1207,1208,1209,
 &end
#
#   15 ASN  HN           15 ASN  HB+         4.50    (#   1997:20  Unique    3.01, 3.36 A)
 &rst
  ixpk= 1997, nxpk= 20, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 231, 232,
 &end
#
#   76 MET  HA           15 ASN  HB+         4.50    (#   1998:20  Unique    3.63, 4.58 A)
 &rst
  ixpk= 1998, nxpk= 20, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 231, 232,
 &end
#
#    0 AMB  20-2:1999    15 ASN  HB-         5.50    (#   1999:20  Single Ambig)
 &rst
  ixpk= 1999, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1220,1221,1220,1221,
 igr2= 231, 232,
 &end
#
#    0 AMB  20-2:2001    70 ILE  HB          5.50    (#   2001:20  Single Ambig)
 &rst
  ixpk= 2001, nxpk= 20, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1131,1188,1129,
 &end
#
#   76 MET  ME           70 ILE  HB          4.50    (#   2003:20  Unique    4.96, 5.64 A)
 &rst
  ixpk= 2003, nxpk= 20, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1207,1208,1209,
 &end
#
#   70 ILE  HG1+         70 ILE  HB          4.50    (#   2004:20  Unique    2.55, 2.80 A)
 &rst
  ixpk= 2004, nxpk= 20, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1118,1119,
 &end
#
#    0 AMB  20-2:2005    10 ILE  HB          4.50    (#   2005:20  Single Ambig)
 &rst
  ixpk= 2005, nxpk= 20, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1292,1293,1294,1327,1328,1327,1328,
 &end
#
#   53 THR  HB           53 THR  HA          3.50    (#   2006:20  Unique    3.04, 3.05 A)
 &rst
  ixpk= 2006, nxpk= 20, iat= 856, 854, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 LYS  HD+          53 THR  HA          4.50    (#   2007:20  Unique    2.21, 3.09 A)
 &rst
  ixpk= 2007, nxpk= 20, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 569, 570,
 &end
#
#   54 THR  HN           53 THR  HA          4.50    (#   2008:20  Unique    3.61, 3.63 A)
 &rst
  ixpk= 2008, nxpk= 20, iat= 866, 854, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 GLN  HE2+         53 THR  HA          5.50    (#   2009:20  Unique    3.42, 3.63 A)
 &rst
  ixpk= 2009, nxpk= 20, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 131, 132,
 &end
#
#    0 AMB  20-2:2010    20 THR  HA          4.50    (#   2010:20  Single Ambig)
 &rst
  ixpk= 2010, nxpk= 20, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 308, 291,
 &end
#
#    0 AMB  20-2:2011    72 PRO  HA          5.50    (#   2011:20  Single Ambig)
 &rst
  ixpk= 2011, nxpk= 20, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1088,1129,1131,
 &end
#
#   69 LYS  HD+          72 PRO  HA          4.50    (#   2012:20  Unique    2.47, 3.64 A)
 &rst
  ixpk= 2012, nxpk= 20, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1096,1097,
 &end
#
#    0 AMB  20-2:2013    72 PRO  HA          4.50    (#   2013:20  Single Ambig)
 &rst
  ixpk= 2013, nxpk= 20, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1090,1091,1096,1097,1093,1094,
 &end
#
#   69 LYS  HB-          72 PRO  HA          5.50    (#   2014:20  Unique    2.45, 3.43 A)
 &rst
  ixpk= 2014, nxpk= 20, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1090,1091,
 &end
#
#   64 ALA  HN           63 GLU  HG-         4.50    (#   2015:20  Unique    2.81, 4.73 A)
 &rst
  ixpk= 2015, nxpk= 20, iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1005,1006,
 &end
#
#   59 ASN  HD2+         63 GLU  HG+         5.50    (#   2016:20  Unique    3.04, 4.31 A)
 &rst
  ixpk= 2016, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 951, 952,
 igr2=1005,1006,
 &end
#
#   59 ASN  HD2+         63 GLU  HG-         5.50    (#   2017:20  Unique    3.04, 4.31 A)
 &rst
  ixpk= 2017, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 951, 952,
 igr2=1005,1006,
 &end
#
#    7 PRO  HD-           6 PRO  HA          2.80    (#   2018:20  Unique    2.12, 2.49 A)
 &rst
  ixpk= 2018, nxpk= 20, iat=  -1,  87, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  92,  93,
 &end
#
#    6 PRO  HB+           6 PRO  HA          2.80    (#   2019:20  Unique    2.39, 2.71 A)
 &rst
  ixpk= 2019, nxpk= 20, iat=  -1,  87, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  84,  85,
 &end
#
#    6 PRO  HG+           6 PRO  HA          4.50    (#   2020:20  Unique    2.74, 3.34 A)
 &rst
  ixpk= 2020, nxpk= 20, iat=  -1,  87, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  81,  82,
 &end
#
#    6 PRO  HB-           6 PRO  HA          3.50    (#   2021:20  Unique    2.39, 2.71 A)
 &rst
  ixpk= 2021, nxpk= 20, iat=  -1,  87, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  84,  85,
 &end
#
#    7 PRO  HG-           6 PRO  HA          5.50    (#   2022:20  Unique    4.32, 4.56 A)
 &rst
  ixpk= 2022, nxpk= 20, iat=  -1,  87, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  95,  96,
 &end
#
#   17 PRO  HB+          17 PRO  HA          3.50    (#   2023:20  Unique    2.31, 2.54 A)
 &rst
  ixpk= 2023, nxpk= 20, iat=  -1, 270, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 267, 268,
 &end
#
#   11 LEU  HN           11 LEU  MDX         4.50    (#   2024:20  Unique    2.63, 4.80 A)
 &rst
  ixpk= 2024, nxpk= 20, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   11 LEU  HN           11 LEU  MDY         5.50    (#   2025:20  Unique    2.63, 4.80 A)
 &rst
  ixpk= 2025, nxpk= 20, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   41 VAL  HN           48 ALA  MB          5.50    (#   2026:20  Unique    4.02, 5.05 A)
 &rst
  ixpk= 2026, nxpk= 20, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 775, 776, 777,
 &end
#
#   11 LEU  HN           50 VAL  MGY         5.50    (#   2027:20  Unique    4.38, 5.47 A)
 &rst
  ixpk= 2027, nxpk= 20, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   55 GLU  HN            0 AMB  20-1:2028   4.50    (#   2028:20  Single Ambig)
 &rst
  ixpk= 2028, nxpk= 20, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 884, 885, 884, 885,
 &end
#
#   78 ILE  HN           78 ILE  HB          5.50    (#   2029:20  Unique    2.58, 2.66 A)
 &rst
  ixpk= 2029, nxpk= 20, iat=1235,1239, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   78 ILE  HN            0 AMB  20-1:2030   5.50    (#   2030:20  Single Ambig)
 &rst
  ixpk= 2030, nxpk= 20, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=1223,1224,1223,1224,
 &end
#
#   12 PHE  HN           81 ALA  HA          4.50    (#   2031:20  Unique    3.61, 3.98 A)
 &rst
  ixpk= 2031, nxpk= 20, iat= 174,1290, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 GLN  HN           55 GLU  HA          4.50    (#   2032:20  Unique    3.44, 3.50 A)
 &rst
  ixpk= 2032, nxpk= 20, iat= 119, 882, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 SER  HN           27 MET  HA          5.50    (#   2033:20  Unique    5.31, 5.39 A)
 &rst
  ixpk= 2033, nxpk= 20, iat= 400, 413, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 SER  HN           24 MET  HA          5.50    (#   2034:20  Unique    4.43, 4.53 A)
 &rst
  ixpk= 2034, nxpk= 20, iat= 400, 366, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 SER  HN           22 GLU  HA          5.50    (#   2036:20  Unique    3.95, 4.12 A)
 &rst
  ixpk= 2036, nxpk= 20, iat= 400, 334, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ARG  HE           44 ARG  HD-         5.50    (#   2037:20  Unique    2.29, 2.80 A)
 &rst
  ixpk= 2037, nxpk= 20, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 709, 710,
 &end
#
#   13 LEU  HN           13 LEU  HA          4.50    (#   2039:20  Unique    2.97, 2.98 A)
 &rst
  ixpk= 2039, nxpk= 20, iat= 194, 196, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   81 ALA  HN           11 LEU  HA          4.50    (#   2040:20  Unique    2.15, 2.47 A)
 &rst
  ixpk= 2040, nxpk= 20, iat=1288, 157, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:2042     0 AMB  20-1:2042   4.50    (#   2042:20  Double Ambig)
 &rst
  ixpk= 2042, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 712, 817,
 igr2= 703, 704, 821, 822, 821, 822,
 &end
#
#   15 ASN  HN           16 LEU  HG          4.50    (#   2044:20  Unique    4.02, 4.13 A)
 &rst
  ixpk= 2044, nxpk= 20, iat= 227, 248, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   83 LYS  HN            0 AMB  20-1:2047   4.50    (#   2047:20  Single Ambig)
 &rst
  ixpk= 2047, nxpk= 20, iat=1320,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1330,1331,1330,1331,
 &end
#
#   82 LYS  HN            0 AMB  20-1:2048   4.50    (#   2048:20  Single Ambig)
 &rst
  ixpk= 2048, nxpk= 20, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1327,1328,1327,1328,
 &end
#
#   83 LYS  HN            0 AMB  20-1:2049   4.50    (#   2049:20  Single Ambig)
 &rst
  ixpk= 2049, nxpk= 20, iat=1320,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1327,1328,1327,1328,
 &end
#
#   23 MET  HN           40 LEU  MDX         4.50    (#   2050:20  Unique    4.82, 6.37 A)
 &rst
  ixpk= 2050, nxpk= 20, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#    0 AMB  20-2:2051     0 AMB  20-1:2051   5.50    (#   2051:20  Double Ambig)
 &rst
  ixpk= 2051, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 213,1059,
 igr2=1220,1221,1220,1221,1220,1221,
 &end
#
#    0 AMB  20-2:2052     0 AMB  20-1:2052   5.50    (#   2052:20  Double Ambig)
 &rst
  ixpk= 2052, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 213,1059,
 igr2=1220,1221,1220,1221,1220,1221,
 &end
#
#    5 GLN  HN            5 GLN  HA          4.50    (#   2054:20  Unique    2.83, 2.92 A)
 &rst
  ixpk= 2054, nxpk= 20, iat=  60,  62, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 GLU  HN           19 GLU  HB+         4.50    (#   2057:20  Unique    2.40, 3.00 A)
 &rst
  ixpk= 2057, nxpk= 20, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 293, 294,
 &end
#
#   75 ALA  HN           75 ALA  MB          4.50    (#   2060:20  Unique    2.40, 2.91 A)
 &rst
  ixpk= 2060, nxpk= 20, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1190,1191,1192,
 &end
#
#   63 GLU  HN           64 ALA  HA          5.50    (#   2062:20  Unique    5.34, 5.37 A)
 &rst
  ixpk= 2062, nxpk= 20, iat= 998,1015, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   16 LEU  HN           16 LEU  HA          4.50    (#   2064:20  Unique    2.90, 2.94 A)
 &rst
  ixpk= 2064, nxpk= 20, iat= 241, 243, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   70 ILE  HN           69 LYS  HD+         4.50    (#   2065:20  Unique    4.20, 4.42 A)
 &rst
  ixpk= 2065, nxpk= 20, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1096,1097,
 &end
#
#   77 LYS  HN           13 LEU  HG          5.50    (#   2066:20  Unique    4.25, 4.46 A)
 &rst
  ixpk= 2066, nxpk= 20, iat=1213, 201, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2067     0 AMB  20-1:2067   4.50    (#   2067:20  Double Ambig)
 &rst
  ixpk= 2067, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1108,1213,
 igr2=1096,1097, 201,
 &end
#
#    0 AMB  20-2:2068    78 ILE  MD1         5.50    (#   2068:20  Single Ambig)
 &rst
  ixpk= 2068, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 998,1213,
 igr2=1248,1249,1250,
 &end
#
#   27 MET  HN           38 VAL  MGX         5.50    (#   2069:20  Unique    5.33, 6.94 A)
 &rst
  ixpk= 2069, nxpk= 20, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   59 ASN  HN           56 LEU  MDY         7.00    (#   2070:20  Unique    5.12, 6.82 A)
 &rst
  ixpk= 2070, nxpk= 20, iat= 942,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   15 ASN  HD2+         74 HIS  HA          4.50    (#   2071:20  Unique    2.61, 3.14 A)
 &rst
  ixpk= 2071, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 236, 237,
 &end
#
#   27 MET  HN           24 MET  HA          4.50    (#   2072:20  Unique    3.59, 3.67 A)
 &rst
  ixpk= 2072, nxpk= 20, iat= 411, 366, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 MET  HN           23 MET  HA          4.50    (#   2073:20  Unique    3.73, 3.83 A)
 &rst
  ixpk= 2073, nxpk= 20, iat= 411, 349, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 ALA  HN           59 ASN  HA          3.50    (#   2076:20  Unique    3.56, 3.57 A)
 &rst
  ixpk= 2076, nxpk= 20, iat= 956, 944, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 LEU  HN           24 MET  HA          4.50    (#   2078:20  Unique    3.54, 3.55 A)
 &rst
  ixpk= 2078, nxpk= 20, iat= 381, 366, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 GLN  HN           65 LEU  HA          4.50    (#   2079:20  Unique    3.35, 3.37 A)
 &rst
  ixpk= 2079, nxpk= 20, iat=1042,1025, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 ASN  HD2-         27 MET  HA          4.50    (#   2080:20  Unique    3.23, 4.76 A)
 &rst
  ixpk= 2080, nxpk= 20, iat=  -1, 413, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 476, 477,
 &end
#
#   57 GLN  HE2+         53 THR  MG2         4.50    (#   2081:20  Unique    2.63, 3.92 A)
 &rst
  ixpk= 2081, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 926, 927,
 igr2= 858, 859, 860,
 &end
#
#   52 PHE  HD           11 LEU  MDX         4.50    (#   2082:20  Unique    2.66, 6.42 A)
 &rst
  ixpk= 2082, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 840, 848,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   21 ASN  HN           40 LEU  MDY         5.50    (#   2083:20  Unique    3.62, 5.46 A)
 &rst
  ixpk= 2083, nxpk= 20, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   12 PHE  HE           14 THR  MG2         4.50    (#   2084:20  Unique    2.71, 4.03 A)
 &rst
  ixpk= 2084, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 184, 188,
 igr2= 219, 220, 221,
 &end
#
#   21 ASN  HN           20 THR  MG2         3.50    (#   2085:20  Unique    2.21, 2.83 A)
 &rst
  ixpk= 2085, nxpk= 20, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 310, 311, 312,
 &end
#
#   12 PHE  HE           48 ALA  HA          5.50    (#   2086:20  Unique    4.52, 6.57 A)
 &rst
  ixpk= 2086, nxpk= 20, iat=  -1, 773, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 184, 188,
 &end
#
#   35 PHE  HZ           26 SER  HB-         4.50    (#   2092:20  Unique    2.64, 3.65 A)
 &rst
  ixpk= 2092, nxpk= 20, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 404, 405,
 &end
#
#   35 PHE  HZ           26 SER  HB+         5.50    (#   2093:20  Unique    2.64, 3.65 A)
 &rst
  ixpk= 2093, nxpk= 20, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 404, 405,
 &end
#
#   49 PHE  HE           12 PHE  HA          5.50    (#   2094:20  Unique    3.83, 4.93 A)
 &rst
  ixpk= 2094, nxpk= 20, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 791, 795,
 &end
#
#   43 ASN  HD2-         43 ASN  HB+         4.50    (#   2095:20  Unique    2.19, 3.32 A)
 &rst
  ixpk= 2095, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 694, 695,
 igr2= 689, 690,
 &end
#
#   28 LEU  HN           27 MET  HA          4.50    (#   2096:20  Unique    3.56, 3.60 A)
 &rst
  ixpk= 2096, nxpk= 20, iat= 428, 413, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 PHE  HE           70 ILE  HG1+        4.50    (#   2097:20  Unique    3.14, 5.52 A)
 &rst
  ixpk= 2097, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1076,1080,
 igr2=1118,1119,
 &end
#
#   12 PHE  HE           49 PHE  HB+         7.00    (#   2099:20  Unique    6.05, 7.95 A)
 &rst
  ixpk= 2099, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 184, 188,
 igr2= 785, 786,
 &end
#
#   49 PHE  HD           49 PHE  HB-         4.50    (#   2100:20  Unique    2.35, 3.08 A)
 &rst
  ixpk= 2100, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 789, 797,
 igr2= 785, 786,
 &end
#
#   68 PHE  HD           68 PHE  HB-         4.50    (#   2101:20  Unique    2.41, 3.08 A)
 &rst
  ixpk= 2101, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1074,1082,
 igr2=1070,1071,
 &end
#
#   59 ASN  HD2-          0 AMB  20-1:2102   5.50    (#   2102:20  Single Ambig)
 &rst
  ixpk= 2102, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 951, 952,
 igr2= 946, 947, 946, 947,
 &end
#
#   28 LEU  HN           30 ASN  HB+         5.50    (#   2103:20  Unique    4.70, 5.25 A)
 &rst
  ixpk= 2103, nxpk= 20, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 471, 472,
 &end
#
#   68 PHE  HD           68 PHE  HB-         4.50    (#   2105:20  Unique    2.41, 3.08 A)
 &rst
  ixpk= 2105, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1074,1082,
 igr2=1070,1071,
 &end
#
#    9 GLN  HE2-         53 THR  HA          5.50    (#   2106:20  Unique    3.42, 3.63 A)
 &rst
  ixpk= 2106, nxpk= 20, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 131, 132,
 &end
#
#    8 ASN  HD2-          8 ASN  HB+         4.50    (#   2108:20  Unique    2.24, 3.20 A)
 &rst
  ixpk= 2108, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 114, 115,
 igr2= 109, 110,
 &end
#
#   60 ALA  HN           56 LEU  MDY         7.00    (#   2109:20  Unique    5.51, 7.15 A)
 &rst
  ixpk= 2109, nxpk= 20, iat= 956,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   68 PHE  HD           70 ILE  HG1+        4.50    (#   2117:20  Unique    2.43, 4.76 A)
 &rst
  ixpk= 2117, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1074,1082,
 igr2=1118,1119,
 &end
#
#   68 PHE  HD           70 ILE  HG1-        4.50    (#   2118:20  Unique    2.43, 4.76 A)
 &rst
  ixpk= 2118, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1074,1082,
 igr2=1118,1119,
 &end
#
#   68 PHE  HD           70 ILE  HA          4.50    (#   2119:20  Unique    3.09, 4.88 A)
 &rst
  ixpk= 2119, nxpk= 20, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1074,1082,
 &end
#
#   57 GLN  HE2-         53 THR  MG2         4.50    (#   2120:20  Unique    2.63, 3.92 A)
 &rst
  ixpk= 2120, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 926, 927,
 igr2= 858, 859, 860,
 &end
#
#   31 GLN  HN           30 ASN  HA          4.50    (#   2122:20  Unique    3.47, 3.50 A)
 &rst
  ixpk= 2122, nxpk= 20, iat= 481, 469, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 GLN  HN           30 ASN  HB+         4.50    (#   2123:20  Unique    3.12, 3.87 A)
 &rst
  ixpk= 2123, nxpk= 20, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 471, 472,
 &end
#
#   12 PHE  HD           12 PHE  HB+         4.50    (#   2129:20  Unique    2.36, 3.10 A)
 &rst
  ixpk= 2129, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 182, 190,
 igr2= 178, 179,
 &end
#
#   35 PHE  HD           35 PHE  HB-         4.50    (#   2130:20  Unique         2.26, 3.06 A)
 &rst
  ixpk= 2130, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 547, 555,
 igr2= 543, 544,
 &end
#
#   35 PHE  HD           35 PHE  HB+         3.50    (#   2131:20  Unique    2.26, 3.06 A)
 &rst
  ixpk= 2131, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 547, 555,
 igr2= 543, 544,
 &end
#
#   49 PHE  HA           13 LEU  MDY         5.50    (#   2133:20  Unique    3.46, 5.35 A)
 &rst
  ixpk= 2133, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   49 PHE  HA           48 ALA  MB          5.50    (#   2135:20  Unique    4.35, 4.85 A)
 &rst
  ixpk= 2135, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 775, 776, 777,
 &end
#
#    0 AMB  20-2:2136    48 ALA  MB          5.50    (#   2136:20  Single Ambig)
 &rst
  ixpk= 2136, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 196, 176,
 igr2= 775, 776, 777,
 &end
#
#   14 THR  HA           15 ASN  HA          4.50    (#   2138:20  Unique    4.42, 4.46 A)
 &rst
  ixpk= 2138, nxpk= 20, iat= 215, 229, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 LEU  HA           81 ALA  HA          4.50    (#   2139:20  Unique    4.09, 4.38 A)
 &rst
  ixpk= 2139, nxpk= 20, iat= 157,1290, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   48 ALA  HA           49 PHE  HB-         5.50    (#   2152:20  Unique    4.58, 5.25 A)
 &rst
  ixpk= 2152, nxpk= 20, iat= 773,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 785, 786,
 &end
#
#   59 ASN  HA            0 AMB  20-1:2155   4.50    (#   2155:20  Single Ambig)
 &rst
  ixpk= 2155, nxpk= 20, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 946, 947, 946, 947,
 &end
#
#   79 THR  HA           78 ILE  MG2         5.50    (#   2156:20  Unique    3.48, 4.75 A)
 &rst
  ixpk= 2156, nxpk= 20, iat=1256,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1241,1242,1243,
 &end
#
#   48 ALA  HA           38 VAL  MGY         5.50    (#   2157:20  Unique    5.07, 7.35 A)
 &rst
  ixpk= 2157, nxpk= 20, iat= 773,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   48 ALA  HA           13 LEU  MDY         7.00    (#   2158:20  Unique    5.86, 7.21 A)
 &rst
  ixpk= 2158, nxpk= 20, iat= 773,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:2159    25 LEU  HG          7.00    (#   2159:20  Single Ambig)
 &rst
  ixpk= 2159, nxpk= 20, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 773, 243,
 &end
#
#   66 GLN  HA           66 GLN  HG+         4.50    (#   2165:20  Unique    2.22, 3.18 A)
 &rst
  ixpk= 2165, nxpk= 20, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1049,1050,
 &end
#
#   68 PHE  HA           68 PHE  HB+         4.50    (#   2166:20  Unique    2.42, 2.74 A)
 &rst
  ixpk= 2166, nxpk= 20, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1070,1071,
 &end
#
#   28 LEU  HA           28 LEU  HG          4.50    (#   2168:20  Unique    2.88, 2.93 A)
 &rst
  ixpk= 2168, nxpk= 20, iat= 430, 435, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 PRO  HG-          33 PRO  HD-         4.50    (#   2179:20  Unique    2.31, 2.60 A)
 &rst
  ixpk= 2179, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 522, 523,
 igr2= 519, 520,
 &end
#
#   42 PRO  HG+          42 PRO  HD-         3.50    (#   2180:20  Unique    2.32, 2.61 A)
 &rst
  ixpk= 2180, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 675, 676,
 igr2= 672, 673,
 &end
#
#   42 PRO  HG+          42 PRO  HD+         3.50    (#   2181:20  Unique    2.32, 2.61 A)
 &rst
  ixpk= 2181, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 675, 676,
 igr2= 672, 673,
 &end
#
#   29 PHE  HB-          50 VAL  MGY         4.50    (#   2183:20  Unique    3.17, 4.92 A)
 &rst
  ixpk= 2183, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 451, 452,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#    0 AMB  20-2:2184    13 LEU  MDX         5.50    (#   2184:20  Single Ambig)
 &rst
  ixpk= 2184, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1200,1201, 451, 452,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   62 LYS  HE-          62 LYS  HD-         4.50    (#   2185:20  Unique    2.29, 2.71 A)
 &rst
  ixpk= 2185, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 989, 990,
 igr2= 986, 987,
 &end
#
#   62 LYS  HE-          62 LYS  HD+         4.50    (#   2186:20  Unique    2.29, 2.71 A)
 &rst
  ixpk= 2186, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 989, 990,
 igr2= 986, 987,
 &end
#
#    0 AMB  20-2:2192    11 LEU  MDY         4.50    (#   2192:20  Single Ambig)
 &rst
  ixpk= 2192, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 946, 947, 946, 947,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#    0 AMB  20-2:2193    56 LEU  MDY         4.50    (#   2193:20  Single Ambig)
 &rst
  ixpk= 2193, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 946, 947, 946, 947,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   62 LYS  HB+          62 LYS  HA          4.50    (#   2194:20  Unique    2.31, 2.70 A)
 &rst
  ixpk= 2194, nxpk= 20, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 980, 981,
 &end
#
#   56 LEU  HB-          54 THR  MG2         4.50    (#   2196:20  Unique    4.57, 6.22 A)
 &rst
  ixpk= 2196, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 899, 900,
 igr2= 872, 873, 874,
 &end
#
#   25 LEU  MDY          38 VAL  MGX         3.50    (#   2197:20  Unique    2.35, 5.62 A)
 &rst
  ixpk= 2197, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  20-2:2198    41 VAL  MGX         4.50    (#   2198:20  Single Ambig)
 &rst
  ixpk= 2198, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 706, 707, 706, 707,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   39 ARG  HG+          38 VAL  MGX         5.50    (#   2199:20  Unique    4.95, 7.34 A)
 &rst
  ixpk= 2199, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 619, 620,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  20-2:2201     0 AMB  20-1:2201   2.80    (#   2201:20  Double Ambig)
 &rst
  ixpk= 2201, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1093,1094,1096,1097,
 igr2=1099,1100,1099,1100,
 &end
#
#   76 MET  HG+          76 MET  HB+         3.50    (#   2202:20  Unique    2.44, 2.76 A)
 &rst
  ixpk= 2202, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1203,1204,
 igr2=1200,1201,
 &end
#
#   76 MET  HG+          76 MET  HB-         3.50    (#   2203:20  Unique    2.44, 2.76 A)
 &rst
  ixpk= 2203, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1203,1204,
 igr2=1200,1201,
 &end
#
#   26 SER  HB+          26 SER  HA          3.50    (#   2205:20  Unique    2.31, 2.73 A)
 &rst
  ixpk= 2205, nxpk= 20, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 404, 405,
 &end
#
#    0 AMB  20-2:2208     0 AMB  20-1:2208   5.50    (#   2208:20  Double Ambig)
 &rst
  ixpk= 2208, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 942,1108,
 igr2= 933,1173,1174,
 &end
#
#    0 AMB  20-2:2209     0 AMB  20-1:2209   5.50    (#   2209:20  Double Ambig)
 &rst
  ixpk= 2209, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 213,1059,
 igr2=1203,1204,1203,1204,
 &end
#
#   77 LYS  HN            0 AMB  20-1:2210   4.50    (#   2210:20  Single Ambig)
 &rst
  ixpk= 2210, nxpk= 20, iat=1213,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1203,1204,1203,1204,
 &end
#
#   76 MET  HN           76 MET  HG-         5.50    (#   2211:20  Unique    4.32, 4.40 A)
 &rst
  ixpk= 2211, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1203,1204,
 &end
#
#    0 AMB  20-2:2212    76 MET  HG-         5.50    (#   2212:20  Single Ambig)
 &rst
  ixpk= 2212, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1=1245,1246,1121,1122,1123,
 igr2=1203,1204,
 &end
#
#    0 AMB  20-2:2213    76 MET  HG-         4.50    (#   2213:20  Single Ambig)
 &rst
  ixpk= 2213, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 250, 251, 252, 254, 255, 256, 203, 204, 205, 207,
       208, 209,
 igr2=1203,1204,
 &end
#
#   76 MET  HB-          76 MET  HG+         3.50    (#   2214:20  Unique    2.44, 2.76 A)
 &rst
  ixpk= 2214, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1200,1201,
 igr2=1203,1204,
 &end
#
#   76 MET  HB-          76 MET  HG-         3.50    (#   2215:20  Unique    2.44, 2.76 A)
 &rst
  ixpk= 2215, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1200,1201,
 igr2=1203,1204,
 &end
#
#   76 MET  HB+          76 MET  HG-         3.50    (#   2216:20  Unique    2.44, 2.76 A)
 &rst
  ixpk= 2216, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1200,1201,
 igr2=1203,1204,
 &end
#
#   77 LYS  HN           76 MET  HG-         4.50    (#   2217:20  Unique    2.85, 3.09 A)
 &rst
  ixpk= 2217, nxpk= 20, iat=1213,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1203,1204,
 &end
#
#   77 LYS  HN           76 MET  HG+         4.50    (#   2218:20  Unique    2.85, 3.09 A)
 &rst
  ixpk= 2218, nxpk= 20, iat=1213,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1203,1204,
 &end
#
#    0 AMB  20-2:2219    76 MET  HG-         5.50    (#   2219:20  Single Ambig)
 &rst
  ixpk= 2219, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 213,1059,
 igr2=1203,1204,
 &end
#
#   76 MET  HN           76 MET  HG+         4.50    (#   2220:20  Unique    4.32, 4.40 A)
 &rst
  ixpk= 2220, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1203,1204,
 &end
#
#   76 MET  HN           76 MET  HG-         5.50    (#   2221:20  Unique    4.32, 4.40 A)
 &rst
  ixpk= 2221, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1203,1204,
 &end
#
#   55 GLU  HG+          55 GLU  HA          3.50    (#   2222:20  Unique    2.59, 3.08 A)
 &rst
  ixpk= 2222, nxpk= 20, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 887, 888,
 &end
#
#    0 AMB  20-2:2223    55 GLU  HA          4.50    (#   2223:20  Single Ambig)
 &rst
  ixpk= 2223, nxpk= 20, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 126, 127, 126, 127, 921, 922, 921, 922,
 &end
#
#    0 AMB  20-2:2226     0 AMB  20-1:2226   5.50    (#   2226:20  Double Ambig)
 &rst
  ixpk= 2226, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 231, 232, 231, 232,
 igr2=1220,1221,1220,1221,
 &end
#
#   82 LYS  HA           82 LYS  HG+         4.50    (#   2227:20  Unique    2.34, 2.78 A)
 &rst
  ixpk= 2227, nxpk= 20, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1305,1306,
 &end
#
#   50 VAL  HN           13 LEU  MDX         4.50    (#   2228:20  Unique    3.50, 5.59 A)
 &rst
  ixpk= 2228, nxpk= 20, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   50 VAL  HN           13 LEU  MDY         4.50    (#   2229:20  Unique    3.50, 5.59 A)
 &rst
  ixpk= 2229, nxpk= 20, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   78 ILE  HA           13 LEU  MDY         5.50    (#   2231:20  Unique    2.62, 4.78 A)
 &rst
  ixpk= 2231, nxpk= 20, iat=1237,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:2232    13 LEU  MDY         4.50    (#   2232:20  Single Ambig)
 &rst
  ixpk= 2232, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 383,1198,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   22 GLU  HA           25 LEU  HG          5.50    (#   2234:20  Unique    3.54, 3.77 A)
 &rst
  ixpk= 2234, nxpk= 20, iat= 334, 388, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LEU  HA           16 LEU  HG          5.50    (#   2235:20  Unique    5.22, 5.37 A)
 &rst
  ixpk= 2235, nxpk= 20, iat= 196, 248, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 THR  HA           16 LEU  HG          5.50    (#   2236:20  Unique    3.05, 3.21 A)
 &rst
  ixpk= 2236, nxpk= 20, iat= 215, 248, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 ASP  HA           16 LEU  HG          4.50    (#   2237:20  Unique    3.65, 3.86 A)
 &rst
  ixpk= 2237, nxpk= 20, iat= 742, 248, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   47 ILE  HN           16 LEU  HG          5.50    (#   2238:20  Unique    4.43, 4.51 A)
 &rst
  ixpk= 2238, nxpk= 20, iat= 752, 248, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2239    11 LEU  MDY         4.50    (#   2239:20  Single Ambig)
 &rst
  ixpk= 2239, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 933, 109, 110,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   21 ASN  HB+          40 LEU  MDY         4.50    (#   2240:20  Unique    3.56, 6.37 A)
 &rst
  ixpk= 2240, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 322, 323,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   48 ALA  HA           48 ALA  MB          2.80    (#   2241:20  Unique    2.45, 2.68 A)
 &rst
  ixpk= 2241, nxpk= 20, iat= 773,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 775, 776, 777,
 &end
#
#   13 LEU  HB+          48 ALA  MB          3.50    (#   2242:20  Unique    2.32, 3.75 A)
 &rst
  ixpk= 2242, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 198, 199,
 igr2= 775, 776, 777,
 &end
#
#   55 GLU  HG-          56 LEU  MDY         4.50    (#   2243:20  Unique    4.94, 7.30 A)
 &rst
  ixpk= 2243, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 887, 888,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#    0 AMB  20-2:2244    56 LEU  MDY         2.80    (#   2244:20  Single Ambig)
 &rst
  ixpk= 2244, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 902, 899, 900, 884, 885, 884, 885,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   56 LEU  HB-          56 LEU  MDY         3.50    (#   2245:20  Unique    2.42, 3.47 A)
 &rst
  ixpk= 2245, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 899, 900,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   11 LEU  MDY          11 LEU  HA          3.50    (#   2246:20  Unique    2.11, 3.85 A)
 &rst
  ixpk= 2246, nxpk= 20, iat=  -1, 157, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 164, 165, 166, 168, 169, 170,
 &end
#
#    0 AMB  20-2:2247    13 LEU  HA          3.50    (#   2247:20  Single Ambig)
 &rst
  ixpk= 2247, nxpk= 20, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 201, 198, 199,
 &end
#
#    0 AMB  20-2:2248     0 AMB  20-1:2248   3.50    (#   2248:20  Double Ambig)
 &rst
  ixpk= 2248, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 159, 160, 198, 199,
 igr2= 157, 196,
 &end
#
#   78 ILE  HA           13 LEU  HA          4.50    (#   2249:20  Unique    2.37, 2.43 A)
 &rst
  ixpk= 2249, nxpk= 20, iat=1237, 196, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   79 THR  HN            0 AMB  20-1:2250   4.50    (#   2250:20  Single Ambig)
 &rst
  ixpk= 2250, nxpk= 20, iat=1254,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 196, 157,
 &end
#
#   13 LEU  MDX          13 LEU  HA          3.50    (#   2251:20  Unique    2.31, 3.93 A)
 &rst
  ixpk= 2251, nxpk= 20, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 203, 204, 205, 207, 208, 209,
 &end
#
#   13 LEU  MDY          13 LEU  HA          3.50    (#   2252:20  Unique    2.31, 3.93 A)
 &rst
  ixpk= 2252, nxpk= 20, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 203, 204, 205, 207, 208, 209,
 &end
#
#   14 THR  MG2          13 LEU  HA          4.50    (#   2253:20  Unique    3.65, 4.65 A)
 &rst
  ixpk= 2253, nxpk= 20, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 219, 220, 221,
 &end
#
#   39 ARG  HN           48 ALA  MB          5.50    (#   2254:20  Unique    3.50, 4.80 A)
 &rst
  ixpk= 2254, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 775, 776, 777,
 &end
#
#   47 ILE  HA           48 ALA  MB          5.50    (#   2255:20  Unique    4.19, 4.80 A)
 &rst
  ixpk= 2255, nxpk= 20, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 775, 776, 777,
 &end
#
#   22 GLU  HA            0 AMB  20-1:2256   5.50    (#   2256:20  Single Ambig)
 &rst
  ixpk= 2256, nxpk= 20, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 310, 311, 312, 775, 776, 777,
 &end
#
#   55 GLU  HN           53 THR  MG2         5.50    (#   2257:20  Unique    5.93, 6.94 A)
 &rst
  ixpk= 2257, nxpk= 20, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 858, 859, 860,
 &end
#
#    0 AMB  20-2:2259    25 LEU  MDX         4.50    (#   2259:20  Single Ambig)
 &rst
  ixpk= 2259, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 432, 433, 245, 246,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#   65 LEU  MDY          64 ALA  HA          5.50    (#   2261:20  Unique    4.83, 6.54 A)
 &rst
  ixpk= 2261, nxpk= 20, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#   25 LEU  MDX          28 LEU  HB-         5.50    (#   2262:20  Unique    3.44, 6.02 A)
 &rst
  ixpk= 2262, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 432, 433,
 &end
#
#   11 LEU  MDX          81 ALA  MB          5.50    (#   2266:20  Unique    4.75, 7.55 A)
 &rst
  ixpk= 2266, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 164, 165, 166, 168, 169, 170,
 igr2=1292,1293,1294,
 &end
#
#   47 ILE  MD1          47 ILE  HA          4.50    (#   2267:20  Unique    4.07, 4.73 A)
 &rst
  ixpk= 2267, nxpk= 20, iat=  -1, 754, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 765, 766, 767,
 &end
#
#   47 ILE  MD1          47 ILE  HG1-        3.50    (#   2269:20  Unique    2.29, 2.64 A)
 &rst
  ixpk= 2269, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 765, 766, 767,
 igr2= 762, 763,
 &end
#
#   47 ILE  MG2          14 THR  MG2         3.50    (#   2271:20  Unique    2.21, 4.12 A)
 &rst
  ixpk= 2271, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 758, 759, 760,
 igr2= 219, 220, 221,
 &end
#
#   14 THR  MG2          47 ILE  HA          3.50    (#   2272:20  Unique    3.21, 4.50 A)
 &rst
  ixpk= 2272, nxpk= 20, iat=  -1, 754, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 219, 220, 221,
 &end
#
#    0 AMB  20-2:2273    79 THR  HA          4.50    (#   2273:20  Single Ambig)
 &rst
  ixpk= 2273, nxpk= 20, iat=  -1,1256, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1241,1242,1243, 164, 165, 166, 168, 169, 170,
 &end
#
#   62 LYS  HD+          59 ASN  HA          4.50    (#   2274:20  Unique    2.72, 3.82 A)
 &rst
  ixpk= 2274, nxpk= 20, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 986, 987,
 &end
#
#   70 ILE  MD1          70 ILE  HG1+        3.50    (#   2275:20  Unique    2.36, 2.66 A)
 &rst
  ixpk= 2275, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1121,1122,1123,
 igr2=1118,1119,
 &end
#
#    0 AMB  20-2:2278    41 VAL  HB          2.80    (#   2278:20  Single Ambig)
 &rst
  ixpk= 2278, nxpk= 20, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#    0 AMB  20-2:2283    59 ASN  HA          3.50    (#   2283:20  Single Ambig)
 &rst
  ixpk= 2283, nxpk= 20, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 986, 987, 164, 165, 166, 168, 169, 170,
 &end
#
#    0 AMB  20-2:2284    83 LYS  HA          4.50    (#   2284:20  Single Ambig)
 &rst
  ixpk= 2284, nxpk= 20, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 149, 150, 151, 146, 147,
 &end
#
#   25 LEU  HG           25 LEU  MDY         4.50    (#   2285:20  Unique    2.36, 2.66 A)
 &rst
  ixpk= 2285, nxpk= 20, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#   69 LYS  HG+          72 PRO  HD+         4.50    (#   2286:20  Unique    5.39, 6.80 A)
 &rst
  ixpk= 2286, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1093,1094,
 igr2=1142,1143,
 &end
#
#   64 ALA  MB           64 ALA  HA          2.80    (#   2287:20  Unique    2.45, 2.66 A)
 &rst
  ixpk= 2287, nxpk= 20, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1017,1018,1019,
 &end
#
#    0 AMB  20-2:2288     0 AMB  20-1:2288   2.80    (#   2288:20  Double Ambig)
 &rst
  ixpk= 2288, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1292,1293,1294,   8,   9,  10,1305,1306,
 igr2=1290,   6,
 &end
#
#   50 VAL  HB           38 VAL  MGY         4.50    (#   2290:20  Unique    4.61, 6.35 A)
 &rst
  ixpk= 2290, nxpk= 20, iat= 805,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   50 VAL  HB           38 VAL  MGX         4.50    (#   2291:20  Unique    4.61, 6.35 A)
 &rst
  ixpk= 2291, nxpk= 20, iat= 805,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   44 ARG  HB-          41 VAL  MGX         3.50    (#   2292:20  Unique    2.43, 5.04 A)
 &rst
  ixpk= 2292, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 703, 704,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   31 GLN  HB-          31 GLN  HA          2.80    (#   2294:20  Unique    2.36, 2.72 A)
 &rst
  ixpk= 2294, nxpk= 20, iat=  -1, 483, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 485, 486,
 &end
#
#    0 AMB  20-2:2295    41 VAL  MGX         4.50    (#   2295:20  Single Ambig)
 &rst
  ixpk= 2295, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 678, 679, 640, 641,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#    0 AMB  20-2:2296    62 LYS  HA          4.50    (#   2296:20  Single Ambig)
 &rst
  ixpk= 2296, nxpk= 20, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 983, 984, 983, 984,
 &end
#
#    0 AMB  20-2:2299     0 AMB  20-1:2299   2.80    (#   2299:20  Double Ambig)
 &rst
  ixpk= 2299, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1=1305,1306,1327,1328,1327,1328,1327,1328,1292,1293,
      1294,
 igr2=1308,1309,1308,1309,1330,1331,1330,1331,1330,1331,
      1330,1331,
 &end
#
#   42 PRO  HG-          42 PRO  HD-         3.50    (#   2301:20  Unique    2.32, 2.61 A)
 &rst
  ixpk= 2301, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 675, 676,
 igr2= 672, 673,
 &end
#
#    0 AMB  20-2:2303     0 AMB  20-1:2303   2.80    (#   2303:20  Double Ambig)
 &rst
  ixpk= 2303, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 281, 282, 281, 282, 281, 282,
 igr2= 278, 279, 278, 279, 278, 279,
 &end
#
#    5 GLN  HB-           6 PRO  HB-         4.50    (#   2305:20  Unique    3.69, 5.02 A)
 &rst
  ixpk= 2305, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  64,  65,
 igr2=  84,  85,
 &end
#
#   42 PRO  HG-          42 PRO  HB-         3.50    (#   2308:20  Unique    2.38, 2.63 A)
 &rst
  ixpk= 2308, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 675, 676,
 igr2= 678, 679,
 &end
#
#    0 AMB  20-2:2314     0 AMB  20-1:2314   3.50    (#   2314:20  Double Ambig)
 &rst
  ixpk= 2314, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 351, 352, 368, 369, 336, 337,
 igr2= 354, 355, 371, 372,
 &end
#
#   33 PRO  HG+          33 PRO  HB+         3.50    (#   2317:20  Unique    2.35, 2.62 A)
 &rst
  ixpk= 2317, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 522, 523,
 igr2= 525, 526,
 &end
#
#   23 MET  HB+          23 MET  HG-         3.50    (#   2318:20  Unique    2.30, 2.68 A)
 &rst
  ixpk= 2318, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 351, 352,
 igr2= 354, 355,
 &end
#
#    0 AMB  20-2:2321     0 AMB  20-1:2321   2.80    (#   2321:20  Double Ambig)
 &rst
  ixpk= 2321, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 368, 369, 351, 352,
 igr2= 371, 372, 371, 372,
 &end
#
#    0 AMB  20-2:2325    19 GLU  HB-         3.50    (#   2325:20  Single Ambig)
 &rst
  ixpk= 2325, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 296, 297, 296, 297,
 igr2= 293, 294,
 &end
#
#   62 LYS  HE-          66 GLN  HG+         3.50    (#   2331:20  Unique    2.37, 4.43 A)
 &rst
  ixpk= 2331, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 989, 990,
 igr2=1049,1050,
 &end
#
#    0 AMB  20-2:2335     0 AMB  20-1:2335   2.80    (#   2335:20  Double Ambig)
 &rst
  ixpk= 2335, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 678, 679,  84,  85,
 igr2= 675, 676,  81,  82,
 &end
#
#    6 PRO  HB+           6 PRO  HG-         4.50    (#   2337:20  Unique    2.39, 2.64 A)
 &rst
  ixpk= 2337, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  84,  85,
 igr2=  81,  82,
 &end
#
#   63 GLU  HG+          60 ALA  HA          4.50    (#   2339:20  Unique    2.21, 3.71 A)
 &rst
  ixpk= 2339, nxpk= 20, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1005,1006,
 &end
#
#    0 AMB  20-2:2341    29 PHE  HA          4.50    (#   2341:20  Single Ambig)
 &rst
  ixpk= 2341, nxpk= 20, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 488, 489, 488, 489,
 &end
#
#   33 PRO  HB+          33 PRO  HG+         3.50    (#   2345:20  Unique    2.35, 2.62 A)
 &rst
  ixpk= 2345, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 525, 526,
 igr2= 522, 523,
 &end
#
#   33 PRO  HB+          33 PRO  HG-         3.50    (#   2346:20  Unique    2.35, 2.62 A)
 &rst
  ixpk= 2346, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 525, 526,
 igr2= 522, 523,
 &end
#
#   18 GLU  HA           17 PRO  HA          5.50    (#   2356:20  Unique    4.31, 4.40 A)
 &rst
  ixpk= 2356, nxpk= 20, iat= 276, 270, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 PRO  HD+           5 GLN  HB+         3.50    (#   2357:20  Unique    2.11, 3.56 A)
 &rst
  ixpk= 2357, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  78,  79,
 igr2=  64,  65,
 &end
#
#   32 PHE  HB+          61 ALA  MB          5.50    (#   2358:20  Unique    3.43, 4.78 A)
 &rst
  ixpk= 2358, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 502, 503,
 igr2= 970, 971, 972,
 &end
#
#   35 PHE  HN           30 ASN  HA          5.50    (#   2363:20  Unique    4.54, 5.04 A)
 &rst
  ixpk= 2363, nxpk= 20, iat= 539, 469, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2364     0 AMB  20-1:2364   4.50    (#   2364:20  Double Ambig)
 &rst
  ixpk= 2364, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 114, 115, 114, 115,
 igr2=1330,1331,1330,1331,
 &end
#
#   57 GLN  HN           56 LEU  HG          5.50    (#   2365:20  Unique    4.27, 5.18 A)
 &rst
  ixpk= 2365, nxpk= 20, iat= 914, 902, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 LEU  HN           62 LYS  HA          4.50    (#   2366:20  Unique    3.38, 3.51 A)
 &rst
  ixpk= 2366, nxpk= 20, iat=1023, 978, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 LEU  HN            0 AMB  20-1:2368   4.50    (#   2368:20  Single Ambig)
 &rst
  ixpk= 2368, nxpk= 20, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1000,1044,
 &end
#
#    0 AMB  20-2:2369    11 LEU  MDY         4.50    (#   2369:20  Single Ambig)
 &rst
  ixpk= 2369, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 976, 942,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   58 SER  HN           58 SER  HB+         5.50    (#   2370:20  Unique    2.69, 3.16 A)
 &rst
  ixpk= 2370, nxpk= 20, iat= 931,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 935, 936,
 &end
#
#   58 SER  HN           58 SER  HB-         5.50    (#   2371:20  Unique    2.69, 3.16 A)
 &rst
  ixpk= 2371, nxpk= 20, iat= 931,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 935, 936,
 &end
#
#   30 ASN  HN           27 MET  HA          4.50    (#   2372:20  Unique    3.28, 3.52 A)
 &rst
  ixpk= 2372, nxpk= 20, iat= 467, 413, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 PHE  HN           69 LYS  HD+         5.50    (#   2373:20  Unique    5.47, 6.50 A)
 &rst
  ixpk= 2373, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1096,1097,
 &end
#
#   17 PRO  HD-          17 PRO  HA          5.50    (#   2374:20  Unique    3.61, 3.86 A)
 &rst
  ixpk= 2374, nxpk= 20, iat=  -1, 270, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 261, 262,
 &end
#
#    0 AMB  20-2:2375     0 AMB  20-1:2375   4.50    (#   2375:20  Double Ambig)
 &rst
  ixpk= 2375, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 261, 262, 261, 262,
 igr2= 264, 265, 264, 265,
 &end
#
#   17 PRO  HD-           0 AMB  20-1:2376   4.50    (#   2376:20  Single Ambig)
 &rst
  ixpk= 2376, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 261, 262,
 igr2= 264, 265, 264, 265,
 &end
#
#    6 PRO  HG-           5 GLN  HA          4.50    (#   2379:20  Unique    4.55, 4.68 A)
 &rst
  ixpk= 2379, nxpk= 20, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  81,  82,
 &end
#
#   51 GLU  HN           51 GLU  HA          5.50    (#   2380:20  Unique    2.97, 2.98 A)
 &rst
  ixpk= 2380, nxpk= 20, iat= 817, 819, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2383     0 AMB  20-1:2383   4.50    (#   2383:20  Double Ambig)
 &rst
  ixpk= 2383, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 217,1015,
 igr2= 229,1025,
 &end
#
#   11 LEU  HN           51 GLU  HA          5.50    (#   2384:20  Unique    3.50, 3.65 A)
 &rst
  ixpk= 2384, nxpk= 20, iat= 155, 819, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2385    62 LYS  HA          4.50    (#   2385:20  Single Ambig)
 &rst
  ixpk= 2385, nxpk= 20, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1239,1245,1246,
 &end
#
#   18 GLU  HA           45 HIS  HB-         5.50    (#   2387:20  Unique    2.35, 3.09 A)
 &rst
  ixpk= 2387, nxpk= 20, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 727, 728,
 &end
#
#    0 AMB  20-2:2388    14 THR  HA          5.50    (#   2388:20  Single Ambig)
 &rst
  ixpk= 2388, nxpk= 20, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 241,1213,
 &end
#
#   14 THR  HN           14 THR  HA          5.50    (#   2389:20  Unique    2.94, 2.95 A)
 &rst
  ixpk= 2389, nxpk= 20, iat= 213, 215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   24 MET  HN           23 MET  HA          3.50    (#   2390:20  Unique    3.53, 3.54 A)
 &rst
  ixpk= 2390, nxpk= 20, iat= 364, 349, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 LEU  HN           23 MET  HA          5.50    (#   2391:20  Unique    4.39, 4.51 A)
 &rst
  ixpk= 2391, nxpk= 20, iat= 381, 349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 SER  HN           25 LEU  HA          4.50    (#   2392:20  Unique    3.57, 3.58 A)
 &rst
  ixpk= 2392, nxpk= 20, iat= 400, 383, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 PHE  HN           66 GLN  HA          4.50    (#   2393:20  Unique    3.44, 3.57 A)
 &rst
  ixpk= 2393, nxpk= 20, iat=1066,1044, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 PHE  HE           26 SER  HA          7.00    (#   2394:20  Unique    5.67, 7.74 A)
 &rst
  ixpk= 2394, nxpk= 20, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 457, 461,
 &end
#
#   29 PHE  HN           27 MET  HA          5.50    (#   2395:20  Unique    4.72, 4.84 A)
 &rst
  ixpk= 2395, nxpk= 20, iat= 447, 413, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   71 THR  HN           71 THR  HA          4.50    (#   2398:20  Unique    2.90, 2.93 A)
 &rst
  ixpk= 2398, nxpk= 20, iat=1127,1129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:2400    71 THR  HA          5.50    (#   2400:20  Single Ambig)
 &rst
  ixpk= 2400, nxpk= 20, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1145,1146,1145,1146,1148,1149,
 &end
#
#   69 LYS  HG+          71 THR  HA          4.50    (#   2401:20  Unique    5.85, 6.60 A)
 &rst
  ixpk= 2401, nxpk= 20, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1093,1094,
 &end
#
#   63 GLU  HB-          63 GLU  HA          2.80    (#   2402:20  Unique    2.23, 2.77 A)
 &rst
  ixpk= 2402, nxpk= 20, iat=  -1,1000, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1002,1003,
 &end
#
#   71 THR  HN           70 ILE  HA          4.50    (#   2403:20  Unique    3.51, 3.53 A)
 &rst
  ixpk= 2403, nxpk= 20, iat=1127,1110, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 PHE  HE           70 ILE  HA          3.50    (#   2404:20  Unique    2.44, 4.38 A)
 &rst
  ixpk= 2404, nxpk= 20, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1076,1080,
 &end
#
#    0 AMB  20-2:2407    52 PHE  HA          4.50    (#   2407:20  Single Ambig)
 &rst
  ixpk= 2407, nxpk= 20, iat=  -1, 834, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 836, 837, 836, 837,
 &end
#
#   50 VAL  HN           49 PHE  HA          2.80    (#   2409:20  Unique    2.28, 2.33 A)
 &rst
  ixpk= 2409, nxpk= 20, iat= 801, 783, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   12 PHE  HA           49 PHE  HA          4.50    (#   2411:20  Unique    2.31, 2.42 A)
 &rst
  ixpk= 2411, nxpk= 20, iat= 176, 783, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   49 PHE  HB+          49 PHE  HA          3.50    (#   2412:20  Unique    2.48, 2.78 A)
 &rst
  ixpk= 2412, nxpk= 20, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 785, 786,
 &end
#
#    0 AMB  20-2:2413    49 PHE  HA          4.50    (#   2413:20  Single Ambig)
 &rst
  ixpk= 2413, nxpk= 20, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 142, 143, 144, 602, 603, 604, 606, 607, 608,
 &end
#
#   13 LEU  MDY          49 PHE  HA          4.50    (#   2414:20  Unique    3.46, 5.35 A)
 &rst
  ixpk= 2414, nxpk= 20, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 203, 204, 205, 207, 208, 209,
 &end
#
#   50 VAL  MGX          49 PHE  HA          4.50    (#   2415:20  Unique    3.20, 5.47 A)
 &rst
  ixpk= 2415, nxpk= 20, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 807, 808, 809, 811, 812, 813,
 &end
#
#   56 LEU  HA           56 LEU  HG          4.50    (#   2416:20  Unique    2.45, 3.22 A)
 &rst
  ixpk= 2416, nxpk= 20, iat= 897, 902, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 LEU  MDY          25 LEU  HA          4.50    (#   2417:20  Unique    2.20, 3.68 A)
 &rst
  ixpk= 2417, nxpk= 20, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 390, 391, 392, 394, 395, 396,
 &end
#
#   47 ILE  MG2          47 ILE  HA          3.50    (#   2418:20  Unique    2.38, 3.22 A)
 &rst
  ixpk= 2418, nxpk= 20, iat=  -1, 754, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 758, 759, 760,
 &end
#
#    0 AMB  20-2:2419    66 GLN  HA          4.50    (#   2419:20  Single Ambig)
 &rst
  ixpk= 2419, nxpk= 20, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1245,1246,1239,
 &end
#
#    0 AMB  20-2:2420    66 GLN  HA          5.50    (#   2420:20  Single Ambig)
 &rst
  ixpk= 2420, nxpk= 20, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1241,1242,1243, 203, 204, 205, 207, 208, 209,
 &end
#
#   74 HIS  HB+          74 HIS  HA          4.50    (#   2421:20  Unique    2.41, 2.75 A)
 &rst
  ixpk= 2421, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1173,1174,
 &end
#
#   15 ASN  HB+          76 MET  HA          4.50    (#   2422:20  Unique    3.63, 4.58 A)
 &rst
  ixpk= 2422, nxpk= 20, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 231, 232,
 &end
#
#   67 GLY  HA+          66 GLN  HA          4.50    (#   2423:20  Unique    4.38, 4.43 A)
 &rst
  ixpk= 2423, nxpk= 20, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1061,1062,
 &end
#
#   60 ALA  HA           63 GLU  HB-         5.50    (#   2424:20  Unique    2.52, 3.54 A)
 &rst
  ixpk= 2424, nxpk= 20, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1002,1003,
 &end
#
#   60 ALA  HA           63 GLU  HB+         5.50    (#   2425:20  Unique    2.52, 3.54 A)
 &rst
  ixpk= 2425, nxpk= 20, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1002,1003,
 &end
#
#    2 GLN  HB+           2 GLN  HA          2.80    (#   2426:20  Unique    2.41, 2.72 A)
 &rst
  ixpk= 2426, nxpk= 20, iat=  -1,  16, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  18,  19,
 &end
#
#    0 AMB  20-2:2427     0 AMB  20-1:2427   3.50    (#   2427:20  Double Ambig)
 &rst
  ixpk= 2427, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=1260,1261,1262,1220,1221,1220,1221,
 igr2=  21,  22,  21,  22,  21,  22,
 &end
#
#    4 GLU  HA            5 GLN  HG+         5.50    (#   2429:20  Unique    3.53, 4.86 A)
 &rst
  ixpk= 2429, nxpk= 20, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  67,  68,
 &end
#
#   82 LYS  HA            5 GLN  HG+         5.50    (#   2430:20  Unique    2.33, 3.69 A)
 &rst
  ixpk= 2430, nxpk= 20, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  67,  68,
 &end
#
#   82 LYS  HA            5 GLN  HG-         4.50    (#   2431:20  Unique    2.33, 3.69 A)
 &rst
  ixpk= 2431, nxpk= 20, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  67,  68,
 &end
#
#   24 MET  HG+          24 MET  HB-         4.50    (#   2432:20  Unique    2.33, 2.65 A)
 &rst
  ixpk= 2432, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 371, 372,
 igr2= 368, 369,
 &end
#
#   24 MET  HG-          24 MET  HB-         3.50    (#   2433:20  Unique    2.33, 2.65 A)
 &rst
  ixpk= 2433, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 371, 372,
 igr2= 368, 369,
 &end
#
#   33 PRO  HB-          33 PRO  HA          3.50    (#   2434:20  Unique    2.27, 2.58 A)
 &rst
  ixpk= 2434, nxpk= 20, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 525, 526,
 &end
#
#   33 PRO  HD+          33 PRO  HB-         4.50    (#   2435:20  Unique    2.79, 3.69 A)
 &rst
  ixpk= 2435, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 519, 520,
 igr2= 525, 526,
 &end
#
#   37 GLU  HN           37 GLU  HB-         4.50    (#   2436:20  Unique    2.80, 3.17 A)
 &rst
  ixpk= 2436, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 585, 586,
 &end
#
#   37 GLU  HN           37 GLU  HB+         5.50    (#   2437:20  Unique    2.80, 3.17 A)
 &rst
  ixpk= 2437, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 585, 586,
 &end
#
#   59 ASN  HN            0 AMB  20-1:2438   3.50    (#   2438:20  Single Ambig)
 &rst
  ixpk= 2438, nxpk= 20, iat= 942,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 897, 882,
 &end
#
#    0 AMB  20-2:2440     0 AMB  20-1:2440   5.50    (#   2440:20  Double Ambig)
 &rst
  ixpk= 2440, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 895, 951, 952, 493, 494,
 igr2= 916, 413,
 &end
#
#   64 ALA  HN           60 ALA  HA          4.50    (#   2442:20  Unique    3.96, 4.09 A)
 &rst
  ixpk= 2442, nxpk= 20, iat=1013, 958, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 LEU  HN            0 AMB  20-1:2443   3.50    (#   2443:20  Single Ambig)
 &rst
  ixpk= 2443, nxpk= 20, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 897, 882,
 &end
#
#   32 PHE  HA           33 PRO  HG+         5.50    (#   2444:20  Unique    4.24, 4.49 A)
 &rst
  ixpk= 2444, nxpk= 20, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 522, 523,
 &end
#
#   39 ARG  HA           40 LEU  HG          7.00    (#   2446:20  Unique    3.92, 4.38 A)
 &rst
  ixpk= 2446, nxpk= 20, iat= 614, 643, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    5 GLN  HG+          82 LYS  HA          4.50    (#   2447:20  Unique    2.33, 3.69 A)
 &rst
  ixpk= 2447, nxpk= 20, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  67,  68,
 &end
#
#   80 PHE  HA           80 PHE  HB-         4.50    (#   2448:20  Unique    2.50, 2.79 A)
 &rst
  ixpk= 2448, nxpk= 20, iat=1270,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1272,1273,
 &end
#
#    9 GLN  HN            8 ASN  HB+         5.50    (#   2450:20  Unique    2.70, 3.77 A)
 &rst
  ixpk= 2450, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 109, 110,
 &end
#
#   31 GLN  HE2-         28 LEU  HA          4.50    (#   2451:20  Unique    2.72, 3.39 A)
 &rst
  ixpk= 2451, nxpk= 20, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 493, 494,
 &end
#
#    0 AMB  20-2:2452    82 LYS  HA          2.80    (#   2452:20  Single Ambig)
 &rst
  ixpk= 2452, nxpk= 20, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1302,1303,1302,1303,
 &end
#
#   32 PHE  HN           30 ASN  HA          4.50    (#   2453:20  Unique    3.24, 3.36 A)
 &rst
  ixpk= 2453, nxpk= 20, iat= 498, 469, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:2454    30 ASN  HA          5.50    (#   2454:20  Single Ambig)
 &rst
  ixpk= 2454, nxpk= 20, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 476, 477, 549, 553,
 &end
#
#    0 AMB  20-2:2455     0 AMB  20-1:2455   5.50    (#   2455:20  Double Ambig)
 &rst
  ixpk= 2455, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 114, 115, 114, 115,
 igr2=1327,1328,1327,1328,
 &end
#
#    8 ASN  HD2+         82 LYS  HG+         5.50    (#   2456:20  Unique    5.38, 6.86 A)
 &rst
  ixpk= 2456, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 114, 115,
 igr2=1305,1306,
 &end
#
#   44 ARG  HN            0 AMB  20-1:2457   5.50    (#   2457:20  Single Ambig)
 &rst
  ixpk= 2457, nxpk= 20, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 706, 707, 706, 707,
 &end
#
#    0 AMB  20-2:2458    63 GLU  HA          5.50    (#   2458:20  Single Ambig)
 &rst
  ixpk= 2458, nxpk= 20, iat=  -1,1000, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1017,1018,1019, 960, 961, 962,
 &end
#
#   70 ILE  MG2          70 ILE  HG1-        3.50    (#   2459:20  Unique    2.47, 3.48 A)
 &rst
  ixpk= 2459, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1114,1115,1116,
 igr2=1118,1119,
 &end
#
#   66 GLN  HB+          66 GLN  HA          4.50    (#   2461:20  Unique    2.47, 2.84 A)
 &rst
  ixpk= 2461, nxpk= 20, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1046,1047,
 &end
#
#   66 GLN  HA           66 GLN  HG-         4.50    (#   2462:20  Unique    2.22, 3.18 A)
 &rst
  ixpk= 2462, nxpk= 20, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1049,1050,
 &end
#
#   66 GLN  HE2+         66 GLN  HG-         4.50    (#   2463:20  Unique    2.19, 3.20 A)
 &rst
  ixpk= 2463, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1054,1055,
 igr2=1049,1050,
 &end
#
#   66 GLN  HE2+         66 GLN  HG+         5.50    (#   2464:20  Unique    2.19, 3.20 A)
 &rst
  ixpk= 2464, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1054,1055,
 igr2=1049,1050,
 &end
#
#    5 GLN  HE2+          5 GLN  HG-         3.50    (#   2466:20  Unique    2.34, 3.38 A)
 &rst
  ixpk= 2466, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  72,  73,
 igr2=  67,  68,
 &end
#
#    4 GLU  HA            5 GLN  HG-         5.50    (#   2467:20  Unique    3.53, 4.86 A)
 &rst
  ixpk= 2467, nxpk= 20, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  67,  68,
 &end
#
#   33 PRO  HB+          33 PRO  HD+         5.50    (#   2468:20  Unique    2.79, 3.69 A)
 &rst
  ixpk= 2468, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 525, 526,
 igr2= 519, 520,
 &end
#
#   33 PRO  HB+          33 PRO  HD-         5.50    (#   2469:20  Unique    2.79, 3.69 A)
 &rst
  ixpk= 2469, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 525, 526,
 igr2= 519, 520,
 &end
#
#   24 MET  HB+          24 MET  HG+         3.50    (#   2471:20  Unique    2.33, 2.65 A)
 &rst
  ixpk= 2471, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 368, 369,
 igr2= 371, 372,
 &end
#
#   12 PHE  HE           81 ALA  HA          7.00    (#   2472:20  Unique    6.73, 7.30 A)
 &rst
  ixpk= 2472, nxpk= 20, iat=  -1,1290, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 184, 188,
 &end
#
#    0 AMB  20-2:2473    48 ALA  HA          5.50    (#   2473:20  Single Ambig)
 &rst
  ixpk= 2473, nxpk= 20, iat=  -1, 773, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 703, 704, 616, 617,
 &end
#
#   77 LYS  HB-          16 LEU  HA          7.00    (#   2474:20  Unique    6.34, 7.22 A)
 &rst
  ixpk= 2474, nxpk= 20, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1217,1218,
 &end
#
#   35 PHE  HD           50 VAL  MGX         5.50    (#   2475:20  Unique    2.65, 6.23 A)
 &rst
  ixpk= 2475, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 547, 555,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   11 LEU  HN           11 LEU  HA          5.50    (#   2476:20  Unique    2.98, 2.99 A)
 &rst
  ixpk= 2476, nxpk= 20, iat= 155, 157, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HG           11 LEU  HA          4.50    (#   2477:20  Unique    2.63, 3.11 A)
 &rst
  ixpk= 2477, nxpk= 20, iat= 162, 157, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 PHE  HN           12 PHE  HB+         4.50    (#   2479:20  Unique    2.40, 2.80 A)
 &rst
  ixpk= 2479, nxpk= 20, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 178, 179,
 &end
#
#   51 GLU  HA           10 ILE  HA          3.50    (#   2480:20  Unique    2.25, 2.38 A)
 &rst
  ixpk= 2480, nxpk= 20, iat= 819, 138, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:2482    49 PHE  HA          3.50    (#   2482:20  Single Ambig)
 &rst
  ixpk= 2482, nxpk= 20, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 781, 194,
 &end
#
#   52 PHE  HN           52 PHE  HA          4.50    (#   2483:20  Unique    2.97, 2.97 A)
 &rst
  ixpk= 2483, nxpk= 20, iat= 832, 834, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:2484     0 AMB  20-1:2484   5.50    (#   2484:20  Double Ambig)
 &rst
  ixpk= 2484, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 801,1288,
 igr2= 159, 160, 159, 160,
 &end
#
#    0 AMB  20-2:2485    11 LEU  HB-         4.50    (#   2485:20  Single Ambig)
 &rst
  ixpk= 2485, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 801,1288,
 igr2= 159, 160,
 &end
#
#   12 PHE  HN           11 LEU  HB+         5.50    (#   2486:20  Unique    2.39, 3.36 A)
 &rst
  ixpk= 2486, nxpk= 20, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 159, 160,
 &end
#
#   11 LEU  HN           11 LEU  HB+         5.50    (#   2487:20  Unique    2.35, 3.10 A)
 &rst
  ixpk= 2487, nxpk= 20, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 159, 160,
 &end
#
#   13 LEU  HN           12 PHE  HB-         4.50    (#   2488:20  Unique    4.08, 4.18 A)
 &rst
  ixpk= 2488, nxpk= 20, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 178, 179,
 &end
#
#   66 GLN  HE2+         62 LYS  HE+         5.50    (#   2489:20  Unique    2.22, 3.62 A)
 &rst
  ixpk= 2489, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1054,1055,
 igr2= 989, 990,
 &end
#
#   14 THR  HN           13 LEU  HB+         5.50    (#   2490:20  Unique    2.97, 3.70 A)
 &rst
  ixpk= 2490, nxpk= 20, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 198, 199,
 &end
#
#   14 THR  HN           13 LEU  HB-         5.50    (#   2491:20  Unique    2.97, 3.70 A)
 &rst
  ixpk= 2491, nxpk= 20, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 198, 199,
 &end
#
#   13 LEU  HN           13 LEU  HB+         4.50    (#   2492:20  Unique    2.36, 2.91 A)
 &rst
  ixpk= 2492, nxpk= 20, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 198, 199,
 &end
#
#   13 LEU  HN           13 LEU  HB-         4.50    (#   2493:20  Unique    2.36, 2.91 A)
 &rst
  ixpk= 2493, nxpk= 20, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 198, 199,
 &end
#
#   48 ALA  HN           13 LEU  HB+         5.50    (#   2494:20  Unique    2.98, 3.35 A)
 &rst
  ixpk= 2494, nxpk= 20, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 198, 199,
 &end
#
#   48 ALA  HN           13 LEU  HB-         5.50    (#   2495:20  Unique    2.98, 3.35 A)
 &rst
  ixpk= 2495, nxpk= 20, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 198, 199,
 &end
#
#   14 THR  HN           14 THR  HB          5.50    (#   2496:20  Unique    3.69, 3.79 A)
 &rst
  ixpk= 2496, nxpk= 20, iat= 213, 217, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   76 MET  HG+          76 MET  HA          3.50    (#   2497:20  Unique    2.50, 2.81 A)
 &rst
  ixpk= 2497, nxpk= 20, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1203,1204,
 &end
#
#    0 AMB  20-2:2498    36 LYS  HB-         4.50    (#   2498:20  Single Ambig)
 &rst
  ixpk= 2498, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 572, 573, 572, 573,
 igr2= 563, 564,
 &end
#
#    0 AMB  20-2:2499     0 AMB  20-1:2499   3.50    (#   2499:20  Double Ambig)
 &rst
  ixpk= 2499, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 483, 430,
 igr2= 488, 489, 488, 489, 488, 489,
 &end
#
#   39 ARG  HN           39 ARG  HB-         4.50    (#   2500:20  Unique    2.72, 3.21 A)
 &rst
  ixpk= 2500, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 616, 617,
 &end
#
#   49 PHE  HA           49 PHE  HB+         4.50    (#   2501:20  Unique    2.48, 2.78 A)
 &rst
  ixpk= 2501, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 785, 786,
 &end
#
#   49 PHE  HA           49 PHE  HB-         4.50    (#   2502:20  Unique    2.48, 2.78 A)
 &rst
  ixpk= 2502, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 785, 786,
 &end
#
#    0 AMB  20-2:2503    50 VAL  HB          4.50    (#   2503:20  Single Ambig)
 &rst
  ixpk= 2503, nxpk= 20, iat=  -1, 805, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 390, 391, 392, 394, 395, 396, 146, 147, 146, 147,
      
 &end
#
#   11 LEU  HB-          50 VAL  HB          5.50    (#   2504:20  Unique    2.15, 2.98 A)
 &rst
  ixpk= 2504, nxpk= 20, iat=  -1, 805, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 159, 160,
 &end
#
#   11 LEU  HB+          50 VAL  HB          5.50    (#   2505:20  Unique    2.15, 2.98 A)
 &rst
  ixpk= 2505, nxpk= 20, iat=  -1, 805, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 159, 160,
 &end
#
#   50 VAL  HB           11 LEU  HB+         5.50    (#   2506:20  Unique    2.15, 2.98 A)
 &rst
  ixpk= 2506, nxpk= 20, iat= 805,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 159, 160,
 &end
#
#   11 LEU  MDX          11 LEU  HB-         3.50    (#   2508:20  Unique    2.30, 3.33 A)
 &rst
  ixpk= 2508, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 164, 165, 166, 168, 169, 170,
 igr2= 159, 160,
 &end
#
#   53 THR  HN            0 AMB  20-1:2510   5.50    (#   2510:20  Single Ambig)
 &rst
  ixpk= 2510, nxpk= 20, iat= 852,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 836, 837, 836, 837,
 &end
#
#   52 PHE  HN            0 AMB  20-1:2511   5.50    (#   2511:20  Single Ambig)
 &rst
  ixpk= 2511, nxpk= 20, iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 836, 837, 836, 837,
 &end
#
#   54 THR  HN            0 AMB  20-1:2512   5.50    (#   2512:20  Single Ambig)
 &rst
  ixpk= 2512, nxpk= 20, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 836, 837, 836, 837,
 &end
#
#   65 LEU  MDX          28 LEU  HB-         5.50    (#   2516:20  Unique    2.59, 4.60 A)
 &rst
  ixpk= 2516, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2= 432, 433,
 &end
#
#   28 LEU  HB-          28 LEU  HG          3.50    (#   2517:20  Unique    2.51, 2.79 A)
 &rst
  ixpk= 2517, nxpk= 20, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 432, 433,
 &end
#
#    9 GLN  HN            9 GLN  HB+         5.50    (#   2518:20  Unique    2.48, 3.07 A)
 &rst
  ixpk= 2518, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 123, 124,
 &end
#
#    9 GLN  HN            9 GLN  HB-         4.50    (#   2519:20  Unique    2.48, 3.07 A)
 &rst
  ixpk= 2519, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 123, 124,
 &end
#
#    0 AMB  20-2:2520    53 THR  HA          5.50    (#   2520:20  Single Ambig)
 &rst
  ixpk= 2520, nxpk= 20, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 836, 837, 836, 837,
 &end
#
#   53 THR  HG1          53 THR  HA          4.50    (#   2521:20  Unique    2.91, 2.98 A)
 &rst
  ixpk= 2521, nxpk= 20, iat= 862, 854, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:2523     0 AMB  20-1:2523   4.50    (#   2523:20  Double Ambig)
 &rst
  ixpk= 2523, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 935, 936, 935, 936, 121,
 igr2= 836, 837, 836, 837, 836, 837,
 &end
#
#   24 MET  HN           20 THR  MG2         4.50    (#   2524:20  Unique    4.62, 5.27 A)
 &rst
  ixpk= 2524, nxpk= 20, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 310, 311, 312,
 &end
#
#   74 HIS  HN           74 HIS  HB+         5.50    (#   2525:20  Unique    2.68, 3.25 A)
 &rst
  ixpk= 2525, nxpk= 20, iat=1169,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1173,1174,
 &end
#
#   74 HIS  HN           74 HIS  HB-         5.50    (#   2526:20  Unique    2.68, 3.25 A)
 &rst
  ixpk= 2526, nxpk= 20, iat=1169,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1173,1174,
 &end
#
#    0 AMB  20-2:2527    78 ILE  MD1         4.50    (#   2527:20  Single Ambig)
 &rst
  ixpk= 2527, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1203,1204,1203,1204,
 igr2=1248,1249,1250,
 &end
#
#   44 ARG  HN           44 ARG  HB-         5.50    (#   2529:20  Unique    2.27, 3.10 A)
 &rst
  ixpk= 2529, nxpk= 20, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 703, 704,
 &end
#
#   44 ARG  HN           44 ARG  HB+         5.50    (#   2530:20  Unique    2.27, 3.10 A)
 &rst
  ixpk= 2530, nxpk= 20, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 703, 704,
 &end
#
#   41 VAL  MGY          44 ARG  HB+         4.50    (#   2531:20  Unique    2.43, 5.04 A)
 &rst
  ixpk= 2531, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 661, 662, 663, 665, 666, 667,
 igr2= 703, 704,
 &end
#
#    0 AMB  20-2:2532     0 AMB  20-1:2532   4.50    (#   2532:20  Double Ambig)
 &rst
  ixpk= 2532, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.88, r4=10.38,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667, 563, 564,
 igr2= 703, 704, 821, 822, 821, 822, 585, 586,
 &end
#
#   47 ILE  MD1          44 ARG  HB-         5.50    (#   2533:20  Unique    2.31, 3.13 A)
 &rst
  ixpk= 2533, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 765, 766, 767,
 igr2= 703, 704,
 &end
#
#   47 ILE  MD1          44 ARG  HB+         5.50    (#   2534:20  Unique    2.31, 3.13 A)
 &rst
  ixpk= 2534, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 765, 766, 767,
 igr2= 703, 704,
 &end
#
#   62 LYS  HD+          62 LYS  HB-         4.50    (#   2535:20  Unique         2.30, 2.89 A)
 &rst
  ixpk= 2535, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 986, 987,
 igr2= 980, 981,
 &end
#
#   74 HIS  HA           75 ALA  MB          5.50    (#   2539:20  Unique    4.47, 5.03 A)
 &rst
  ixpk= 2539, nxpk= 20, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1190,1191,1192,
 &end
#
#    0 AMB  20-2:2540    22 GLU  HA          2.80    (#   2540:20  Single Ambig)
 &rst
  ixpk= 2540, nxpk= 20, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 336, 337, 600,
 &end
#
#   10 ILE  MG2          10 ILE  HA          4.50    (#   2541:20  Unique    2.46, 3.09 A)
 &rst
  ixpk= 2541, nxpk= 20, iat=  -1, 138, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 142, 143, 144,
 &end
#
#   18 GLU  HN           17 PRO  HB-         5.50    (#   2542:20  Unique    3.11, 3.55 A)
 &rst
  ixpk= 2542, nxpk= 20, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 267, 268,
 &end
#
#   40 LEU  MDY          40 LEU  HA          3.50    (#   2543:20  Unique    2.25, 3.80 A)
 &rst
  ixpk= 2543, nxpk= 20, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 645, 646, 647, 649, 650, 651,
 &end
#
#    0 AMB  20-2:2544     0 AMB  20-1:2544   2.80    (#   2544:20  Double Ambig)
 &rst
  ixpk= 2544, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 415, 416, 415, 416, 415, 416,
 igr2= 418, 419, 418, 419, 418, 419,
 &end
#
#    5 GLN  HE2-         82 LYS  HG+         5.50    (#   2546:20  Unique    2.54, 4.49 A)
 &rst
  ixpk= 2546, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  72,  73,
 igr2=1305,1306,
 &end
#
#   66 GLN  HG+          62 LYS  HE+         5.50    (#   2547:20  Unique    2.37, 4.43 A)
 &rst
  ixpk= 2547, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1049,1050,
 igr2= 989, 990,
 &end
#
#   66 GLN  HG+          62 LYS  HE-         5.50    (#   2548:20  Unique    2.37, 4.43 A)
 &rst
  ixpk= 2548, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1049,1050,
 igr2= 989, 990,
 &end
#
#    0 AMB  20-2:2549     0 AMB  20-1:2549   5.50    (#   2549:20  Double Ambig)
 &rst
  ixpk= 2549, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 250, 251, 252, 254, 255, 256, 203, 204, 205, 207,
       208, 209,
 igr2=1200,1201,1200,1201,
 &end
#
#    0 AMB  20-2:2550    76 MET  HB-         5.50    (#   2550:20  Single Ambig)
 &rst
  ixpk= 2550, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 250, 251, 252, 254, 255, 256, 203, 204, 205, 207,
       208, 209,
 igr2=1200,1201,
 &end
#
#   70 ILE  MD1          76 MET  HB+         4.50    (#   2551:20  Unique    2.27, 4.01 A)
 &rst
  ixpk= 2551, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1121,1122,1123,
 igr2=1200,1201,
 &end
#
#   70 ILE  MD1          76 MET  HB-         4.50    (#   2552:20  Unique    2.27, 4.01 A)
 &rst
  ixpk= 2552, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1121,1122,1123,
 igr2=1200,1201,
 &end
#
#    4 GLU  HB-           4 GLU  HG+         3.50    (#   2555:20  Unique    2.25, 2.74 A)
 &rst
  ixpk= 2555, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  49,  50,
 igr2=  52,  53,
 &end
#
#    4 GLU  HB+           4 GLU  HG+         2.80    (#   2556:20  Unique    2.25, 2.74 A)
 &rst
  ixpk= 2556, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  49,  50,
 igr2=  52,  53,
 &end
#
#    4 GLU  HB-           4 GLU  HG-         4.50    (#   2557:20  Unique    2.25, 2.74 A)
 &rst
  ixpk= 2557, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  49,  50,
 igr2=  52,  53,
 &end
#
#    0 AMB  20-2:2558     0 AMB  20-1:2558   2.80    (#   2558:20  Double Ambig)
 &rst
  ixpk= 2558, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  49,  50, 336, 337,
 igr2=  52,  53, 339, 340, 339, 340,
 &end
#
#   72 PRO  HD+          72 PRO  HA          4.50    (#   2559:20  Unique    3.43, 3.74 A)
 &rst
  ixpk= 2559, nxpk= 20, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1142,1143,
 &end
#
#   72 PRO  HD+          71 THR  HB          4.50    (#   2560:20  Unique    2.14, 2.97 A)
 &rst
  ixpk= 2560, nxpk= 20, iat=  -1,1131, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1142,1143,
 &end
#
#   69 LYS  HG+          71 THR  HB          5.50    (#   2561:20  Unique    7.28, 8.00 A)
 &rst
  ixpk= 2561, nxpk= 20, iat=  -1,1131, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1093,1094,
 &end
#
#   37 GLU  HN           37 GLU  HG+         5.50    (#   2563:20  Unique    3.56, 4.75 A)
 &rst
  ixpk= 2563, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 588, 589,
 &end
#
#   39 ARG  HA           39 ARG  HB+         4.50    (#   2564:20  Unique    2.42, 2.78 A)
 &rst
  ixpk= 2564, nxpk= 20, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 616, 617,
 &end
#
#   38 VAL  HN           37 GLU  HG+         4.50    (#   2565:20  Unique    1.76, 2.74 A)
 &rst
  ixpk= 2565, nxpk= 20, iat= 596,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 588, 589,
 &end
#
#    0 AMB  20-2:2566    78 ILE  MD1         3.50    (#   2566:20  Single Ambig)
 &rst
  ixpk= 2566, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1027,1028,1027,1028,
 igr2=1248,1249,1250,
 &end
#
#   74 HIS  HB+          70 ILE  MG2         5.50    (#   2567:20  Unique    4.31, 5.62 A)
 &rst
  ixpk= 2567, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1173,1174,
 igr2=1114,1115,1116,
 &end
#
#   74 HIS  HB-          70 ILE  MG2         5.50    (#   2568:20  Unique    4.31, 5.62 A)
 &rst
  ixpk= 2568, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1173,1174,
 igr2=1114,1115,1116,
 &end
#
#   24 MET  HG-          70 ILE  MG2         5.50    (#   2569:20  Unique    4.78, 6.41 A)
 &rst
  ixpk= 2569, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 371, 372,
 igr2=1114,1115,1116,
 &end
#
#   28 LEU  MDX          70 ILE  MG2         5.50    (#   2570:20  Unique    3.11, 6.23 A)
 &rst
  ixpk= 2570, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 437, 438, 439, 441, 442, 443,
 igr2=1114,1115,1116,
 &end
#
#   21 ASN  HN           70 ILE  MG2         5.50    (#   2572:20  Unique    5.53, 6.25 A)
 &rst
  ixpk= 2572, nxpk= 20, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1114,1115,1116,
 &end
#
#   76 MET  HN           70 ILE  MG2         5.50    (#   2573:20  Unique    6.43, 6.65 A)
 &rst
  ixpk= 2573, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1114,1115,1116,
 &end
#
#    3 THR  HB           82 LYS  HG-         4.50    (#   2574:20  Unique    2.83, 4.41 A)
 &rst
  ixpk= 2574, nxpk= 20, iat=  35,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1305,1306,
 &end
#
#   41 VAL  HN           40 LEU  HG          5.50    (#   2575:20  Unique    4.80, 4.98 A)
 &rst
  ixpk= 2575, nxpk= 20, iat= 655, 643, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   71 THR  HN           70 ILE  HG1-        5.50    (#   2576:20  Unique    4.09, 4.59 A)
 &rst
  ixpk= 2576, nxpk= 20, iat=1127,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1118,1119,
 &end
#
#   43 ASN  HN           41 VAL  MGX         5.50    (#   2577:20  Unique    2.67, 5.67 A)
 &rst
  ixpk= 2577, nxpk= 20, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   53 THR  HN           54 THR  MG2         5.50    (#   2580:20  Unique    5.67, 6.51 A)
 &rst
  ixpk= 2580, nxpk= 20, iat= 852,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 872, 873, 874,
 &end
#
#   16 LEU  HN           20 THR  MG2         7.00    (#   2581:20  Unique    6.33, 7.39 A)
 &rst
  ixpk= 2581, nxpk= 20, iat= 241,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 310, 311, 312,
 &end
#
#    0 AMB  20-2:2582    51 GLU  HA          4.50    (#   2582:20  Single Ambig)
 &rst
  ixpk= 2582, nxpk= 20, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 821, 822, 821, 822,
 &end
#
#    0 AMB  20-2:2583    51 GLU  HA          4.50    (#   2583:20  Single Ambig)
 &rst
  ixpk= 2583, nxpk= 20, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 146, 147, 149, 150, 151,
 &end
#
#   51 GLU  HG+          51 GLU  HA          5.50    (#   2584:20  Unique    2.48, 2.86 A)
 &rst
  ixpk= 2584, nxpk= 20, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 824, 825,
 &end
#
#    0 AMB  20-2:2585    51 GLU  HA          5.50    (#   2585:20  Single Ambig)
 &rst
  ixpk= 2585, nxpk= 20, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 803, 598,
 &end
#
#   78 ILE  HN           66 GLN  HA          4.50    (#   2586:20  Unique    3.78, 3.88 A)
 &rst
  ixpk= 2586, nxpk= 20, iat=1235,1044, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 PHE  HA           50 VAL  MGY         5.50    (#   2589:20  Unique    5.18, 6.78 A)
 &rst
  ixpk= 2589, nxpk= 20, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   58 SER  HB+          50 VAL  MGY         7.00    (#   2590:20  Unique    5.22, 7.55 A)
 &rst
  ixpk= 2590, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 935, 936,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   55 GLU  HN           56 LEU  MDX         4.50    (#   2591:20  Unique    4.08, 5.96 A)
 &rst
  ixpk= 2591, nxpk= 20, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   31 GLN  HE2+         31 GLN  HB+         4.50    (#   2593:20  Unique    2.52, 3.61 A)
 &rst
  ixpk= 2593, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 493, 494,
 igr2= 485, 486,
 &end
#
#   32 PHE  HN           31 GLN  HB+         5.50    (#   2594:20  Unique    3.38, 3.92 A)
 &rst
  ixpk= 2594, nxpk= 20, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 485, 486,
 &end
#
#   25 LEU  HN           25 LEU  MDY         4.50    (#   2595:20  Unique    3.03, 4.32 A)
 &rst
  ixpk= 2595, nxpk= 20, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#   11 LEU  HN           11 LEU  HG          5.50    (#   2596:20  Unique    2.74, 3.46 A)
 &rst
  ixpk= 2596, nxpk= 20, iat= 155, 162, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   70 ILE  HN           75 ALA  HA          4.50    (#   2597:20  Unique    3.01, 3.09 A)
 &rst
  ixpk= 2597, nxpk= 20, iat=1108,1188, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   75 ALA  HN           75 ALA  HA          4.50    (#   2598:20  Unique    2.90, 2.92 A)
 &rst
  ixpk= 2598, nxpk= 20, iat=1186,1188, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 LEU  HG           16 LEU  HB+         5.50    (#   2599:20  Unique    2.44, 2.75 A)
 &rst
  ixpk= 2599, nxpk= 20, iat= 248,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 245, 246,
 &end
#
#   16 LEU  HG           16 LEU  HB-         5.50    (#   2600:20  Unique    2.44, 2.75 A)
 &rst
  ixpk= 2600, nxpk= 20, iat= 248,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 245, 246,
 &end
#
#   16 LEU  HA           16 LEU  HB-         5.50    (#   2601:20  Unique    2.36, 2.71 A)
 &rst
  ixpk= 2601, nxpk= 20, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 245, 246,
 &end
#
#   17 PRO  HD+          16 LEU  HB-         5.50    (#   2602:20  Unique    2.30, 3.68 A)
 &rst
  ixpk= 2602, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 261, 262,
 igr2= 245, 246,
 &end
#
#   17 PRO  HD-          16 LEU  HB+         5.50    (#   2604:20  Unique    2.30, 3.68 A)
 &rst
  ixpk= 2604, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 261, 262,
 igr2= 245, 246,
 &end
#
#   17 PRO  HD+          16 LEU  HB+         5.50    (#   2605:20  Unique    2.30, 3.68 A)
 &rst
  ixpk= 2605, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 261, 262,
 igr2= 245, 246,
 &end
#
#   68 PHE  HD           70 ILE  HB          5.50    (#   2606:20  Unique    4.63, 6.71 A)
 &rst
  ixpk= 2606, nxpk= 20, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1074,1082,
 &end
#
#   17 PRO  HD-          70 ILE  HB          5.50    (#   2608:20  Unique    2.39, 2.76 A)
 &rst
  ixpk= 2608, nxpk= 20, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 261, 262,
 &end
#
#   17 PRO  HD-          16 LEU  MDX         5.50    (#   2609:20  Unique    3.67, 5.49 A)
 &rst
  ixpk= 2609, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 261, 262,
 igr2= 250, 251, 252, 254, 255, 256,
 &end
#
#    0 AMB  20-2:2610    16 LEU  MDX         3.50    (#   2610:20  Single Ambig)
 &rst
  ixpk= 2610, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1203,1204,1203,1204,
 igr2= 250, 251, 252, 254, 255, 256,
 &end
#
#   76 MET  ME           16 LEU  MDX         4.50    (#   2611:20  Unique    2.45, 5.45 A)
 &rst
  ixpk= 2611, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1207,1208,1209,
 igr2= 250, 251, 252, 254, 255, 256,
 &end
#
#    0 AMB  20-2:2612    11 LEU  MDY         3.50    (#   2612:20  Single Ambig)
 &rst
  ixpk= 2612, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 980, 981, 162,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   71 THR  HN           70 ILE  MD1         4.50    (#   2613:20  Unique    4.56, 5.38 A)
 &rst
  ixpk= 2613, nxpk= 20, iat=1127,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1121,1122,1123,
 &end
#
#   66 GLN  HN           66 GLN  HB-         4.50    (#   2616:20  Unique    2.15, 2.84 A)
 &rst
  ixpk= 2616, nxpk= 20, iat=1042,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1046,1047,
 &end
#
#   66 GLN  HE2-         66 GLN  HB+         4.50    (#   2617:20  Unique    3.30, 4.50 A)
 &rst
  ixpk= 2617, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1054,1055,
 igr2=1046,1047,
 &end
#
#   81 ALA  HN            8 ASN  HB-         4.50    (#   2618:20  Unique    3.20, 4.59 A)
 &rst
  ixpk= 2618, nxpk= 20, iat=1288,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 109, 110,
 &end
#
#   32 PHE  HE           64 ALA  HA          7.00    (#   2620:20  Unique    5.03, 6.23 A)
 &rst
  ixpk= 2620, nxpk= 20, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 508, 512,
 &end
#
#   63 GLU  HA           64 ALA  HA          5.50    (#   2621:20  Unique    4.76, 4.77 A)
 &rst
  ixpk= 2621, nxpk= 20, iat=1000,1015, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 THR  HB           16 LEU  HG          7.00    (#   2623:20  Unique    5.51, 5.54 A)
 &rst
  ixpk= 2623, nxpk= 20, iat= 308, 248, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    9 GLN  HA           10 ILE  MD1         7.00    (#   2624:20  Unique    5.00, 7.16 A)
 &rst
  ixpk= 2624, nxpk= 20, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 149, 150, 151,
 &end
#
#   21 ASN  HD2-         24 MET  HG+         5.50    (#   2625:20  Unique    2.44, 5.65 A)
 &rst
  ixpk= 2625, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 327, 328,
 igr2= 371, 372,
 &end
#
#   21 ASN  HD2-          0 AMB  20-1:2626   5.50    (#   2626:20  Single Ambig)
 &rst
  ixpk= 2626, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 327, 328,
 igr2= 371, 372, 354, 355,
 &end
#
#   25 LEU  MDX          24 MET  HG+         5.50    (#   2627:20  Unique    5.41, 7.41 A)
 &rst
  ixpk= 2627, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 371, 372,
 &end
#
#   25 LEU  MDX          24 MET  HG-         4.50    (#   2628:20  Unique    5.41, 7.41 A)
 &rst
  ixpk= 2628, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 371, 372,
 &end
#
#   20 THR  MG2          24 MET  HG+         5.50    (#   2630:20  Unique    3.37, 5.11 A)
 &rst
  ixpk= 2630, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 310, 311, 312,
 igr2= 371, 372,
 &end
#
#   20 THR  MG2          24 MET  HG-         5.50    (#   2632:20  Unique    3.37, 5.11 A)
 &rst
  ixpk= 2632, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 310, 311, 312,
 igr2= 371, 372,
 &end
#
#   28 LEU  MDY          24 MET  HG-         5.50    (#   2633:20  Unique    5.59, 7.81 A)
 &rst
  ixpk= 2633, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 437, 438, 439, 441, 442, 443,
 igr2= 371, 372,
 &end
#
#   28 LEU  MDY          24 MET  HG+         5.50    (#   2634:20  Unique    5.59, 7.81 A)
 &rst
  ixpk= 2634, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 437, 438, 439, 441, 442, 443,
 igr2= 371, 372,
 &end
#
#   78 ILE  HG1-         76 MET  HG+         4.50    (#   2635:20  Unique    2.31, 3.30 A)
 &rst
  ixpk= 2635, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1245,1246,
 igr2=1203,1204,
 &end
#
#   78 ILE  HG1-         76 MET  HG-         4.50    (#   2636:20  Unique    2.31, 3.30 A)
 &rst
  ixpk= 2636, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1245,1246,
 igr2=1203,1204,
 &end
#
#    0 AMB  20-2:2637    76 MET  HG-         5.50    (#   2637:20  Single Ambig)
 &rst
  ixpk= 2637, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1118,1119,1027,1028,1027,1028,1220,1221,
 igr2=1203,1204,
 &end
#
#   76 MET  HA           76 MET  HG-         4.50    (#   2638:20  Unique    2.50, 2.81 A)
 &rst
  ixpk= 2638, nxpk= 20, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1203,1204,
 &end
#
#   76 MET  HA           76 MET  HG+         4.50    (#   2639:20  Unique    2.50, 2.81 A)
 &rst
  ixpk= 2639, nxpk= 20, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1203,1204,
 &end
#
#    0 AMB  20-2:2640     0 AMB  20-1:2640   5.50    (#   2640:20  Double Ambig)
 &rst
  ixpk= 2640, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1215,1237,
 igr2=1203,1204,1203,1204,
 &end
#
#    0 AMB  20-2:2641    76 MET  HG-         4.50    (#   2641:20  Single Ambig)
 &rst
  ixpk= 2641, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1215,1237,
 igr2=1203,1204,
 &end
#
#    0 AMB  20-2:2642     0 AMB  20-1:2642   5.50    (#   2642:20  Double Ambig)
 &rst
  ixpk= 2642, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.00, r4=11.50,
 igr1=1118,1119,1027,1028,1027,1028,1220,1221,
 igr2=1203,1204,1203,1204,1203,1204,1203,1204,
 &end
#
#   76 MET  HG+          13 LEU  MDY         4.50    (#   2643:20  Unique    3.02, 4.89 A)
 &rst
  ixpk= 2643, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1203,1204,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   65 LEU  MDY          78 ILE  MD1         4.50    (#   2644:20  Unique    4.00, 5.90 A)
 &rst
  ixpk= 2644, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2=1248,1249,1250,
 &end
#
#    0 AMB  20-2:2645     0 AMB  20-1:2645   2.80    (#   2645:20  Double Ambig)
 &rst
  ixpk= 2645, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1=1220,1221,1220,1221,1220,1221,1305,1306,1305,1306,
      1090,1091,
 igr2=1223,1224,1223,1224,1223,1224,1308,1309,1308,1309,
      1096,1097,
 &end
#
#    0 AMB  20-2:2646    49 PHE  HA          5.50    (#   2646:20  Single Ambig)
 &rst
  ixpk= 2646, nxpk= 20, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 791, 795, 459,
 &end
#
#   25 LEU  HB+          25 LEU  HG          3.50    (#   2647:20  Unique    2.34, 2.70 A)
 &rst
  ixpk= 2647, nxpk= 20, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 385, 386,
 &end
#
#   76 MET  ME           16 LEU  HG          7.00    (#   2648:20  Unique    5.41, 6.73 A)
 &rst
  ixpk= 2648, nxpk= 20, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1207,1208,1209,
 &end
#
#   11 LEU  HN           50 VAL  HB          4.50    (#   2650:20  Unique    3.14, 3.37 A)
 &rst
  ixpk= 2650, nxpk= 20, iat= 155, 805, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 LEU  HB+          16 LEU  HG          4.50    (#   2651:20  Unique    3.41, 4.24 A)
 &rst
  ixpk= 2651, nxpk= 20, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 198, 199,
 &end
#
#   29 PHE  HE           29 PHE  HB+         5.50    (#   2652:20  Unique    4.65, 5.12 A)
 &rst
  ixpk= 2652, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 457, 461,
 igr2= 451, 452,
 &end
#
#   29 PHE  HE           29 PHE  HB-         5.50    (#   2653:20  Unique    4.65, 5.12 A)
 &rst
  ixpk= 2653, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 457, 461,
 igr2= 451, 452,
 &end
#
#    0 AMB  20-2:2654     0 AMB  20-1:2654   2.80    (#   2654:20  Double Ambig)
 &rst
  ixpk= 2654, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 278, 279, 278, 279, 278, 279,
 igr2= 281, 282, 281, 282, 281, 282,
 &end
#
#   55 GLU  HA           55 GLU  HG+         3.50    (#   2655:20  Unique    2.59, 3.08 A)
 &rst
  ixpk= 2655, nxpk= 20, iat= 882,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 887, 888,
 &end
#
#    0 AMB  20-2:2656    17 PRO  HB-         3.50    (#   2656:20  Single Ambig)
 &rst
  ixpk= 2656, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 264, 265, 264, 265,
 igr2= 267, 268,
 &end
#
#   68 PHE  HE           68 PHE  HA          5.50    (#   2657:20  Unique    4.95, 5.41 A)
 &rst
  ixpk= 2657, nxpk= 20, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1076,1080,
 &end
#
#   77 LYS  HE+           2 GLN  HG+         4.50    (#   2660:20  Unique    3.73, 5.43 A)
 &rst
  ixpk= 2660, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1226,1227,
 igr2=  21,  22,
 &end
#
#   25 LEU  HN           25 LEU  HB+         4.50    (#   2661:20  Unique    2.44, 3.07 A)
 &rst
  ixpk= 2661, nxpk= 20, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 385, 386,
 &end
#
#    8 ASN  HA           55 GLU  HA          4.50    (#   2662:20  Unique    3.55, 3.71 A)
 &rst
  ixpk= 2662, nxpk= 20, iat= 107, 882, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:2663     0 AMB  20-1:2663   2.80    (#   2663:20  Double Ambig)
 &rst
  ixpk= 2663, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  14,  45,
 igr2=  16,  47,
 &end
#
#   29 PHE  HA           29 PHE  HB+         4.50    (#   2664:20  Unique    2.48, 2.78 A)
 &rst
  ixpk= 2664, nxpk= 20, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 451, 452,
 &end
#
#   29 PHE  HA           29 PHE  HB-         5.50    (#   2665:20  Unique    2.48, 2.78 A)
 &rst
  ixpk= 2665, nxpk= 20, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 451, 452,
 &end
#
#   50 VAL  MGY          29 PHE  HB-         4.50    (#   2667:20  Unique    3.17, 4.92 A)
 &rst
  ixpk= 2667, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 807, 808, 809, 811, 812, 813,
 igr2= 451, 452,
 &end
#
#   65 LEU  MDY          68 PHE  HB-         5.50    (#   2668:20  Unique    2.92, 4.77 A)
 &rst
  ixpk= 2668, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2=1070,1071,
 &end
#
#    0 AMB  20-2:2669     0 AMB  20-1:2669   4.50    (#   2669:20  Double Ambig)
 &rst
  ixpk= 2669, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 862, 834,
 igr2= 569, 570, 569, 570,
 &end
#
#   76 MET  HN            0 AMB  20-1:2671   5.50    (#   2671:20  Single Ambig)
 &rst
  ixpk= 2671, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=1096,1097,1090,1091,
 &end
#
#   76 MET  HN           69 LYS  HB-         5.50    (#   2672:20  Unique    5.90, 6.13 A)
 &rst
  ixpk= 2672, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1090,1091,
 &end
#
#   69 LYS  HE-          69 LYS  HD-         2.80    (#   2674:20  Unique    2.40, 2.63 A)
 &rst
  ixpk= 2674, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1099,1100,
 igr2=1096,1097,
 &end
#
#   70 ILE  HN           69 LYS  HG+         4.50    (#   2679:20  Unique    5.34, 5.60 A)
 &rst
  ixpk= 2679, nxpk= 20, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1093,1094,
 &end
#
#   70 ILE  HN           69 LYS  HG-         5.50    (#   2680:20  Unique    5.34, 5.60 A)
 &rst
  ixpk= 2680, nxpk= 20, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1093,1094,
 &end
#
#   66 GLN  HG+          13 LEU  HG          5.50    (#   2684:20  Unique    6.60, 7.99 A)
 &rst
  ixpk= 2684, nxpk= 20, iat=  -1, 201, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1049,1050,
 &end
#
#   72 PRO  HA           69 LYS  HD+         4.50    (#   2685:20  Unique    2.47, 3.64 A)
 &rst
  ixpk= 2685, nxpk= 20, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1096,1097,
 &end
#
#   72 PRO  HA           69 LYS  HD-         4.50    (#   2686:20  Unique    2.47, 3.64 A)
 &rst
  ixpk= 2686, nxpk= 20, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1096,1097,
 &end
#
#   76 MET  HN           69 LYS  HD+         5.50    (#   2687:20  Unique    4.27, 4.96 A)
 &rst
  ixpk= 2687, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1096,1097,
 &end
#
#   71 THR  HN           69 LYS  HE-         5.50    (#   2688:20  Unique    6.32, 6.78 A)
 &rst
  ixpk= 2688, nxpk= 20, iat=1127,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1099,1100,
 &end
#
#   71 THR  HN           69 LYS  HE+         5.50    (#   2689:20  Unique    6.32, 6.78 A)
 &rst
  ixpk= 2689, nxpk= 20, iat=1127,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1099,1100,
 &end
#
#   69 LYS  HN           69 LYS  HE-         5.50    (#   2690:20  Unique    4.78, 5.46 A)
 &rst
  ixpk= 2690, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1099,1100,
 &end
#
#   69 LYS  HN           69 LYS  HE+         5.50    (#   2691:20  Unique    4.78, 5.46 A)
 &rst
  ixpk= 2691, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1099,1100,
 &end
#
#    8 ASN  HD2-          8 ASN  HB-         5.50    (#   2692:20  Unique    2.24, 3.20 A)
 &rst
  ixpk= 2692, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 114, 115,
 igr2= 109, 110,
 &end
#
#    8 ASN  HN            8 ASN  HB-         5.50    (#   2694:20  Unique    2.72, 3.30 A)
 &rst
  ixpk= 2694, nxpk= 20, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 109, 110,
 &end
#
#   74 HIS  HA           69 LYS  HE-         4.50    (#   2695:20  Unique    4.74, 6.37 A)
 &rst
  ixpk= 2695, nxpk= 20, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1099,1100,
 &end
#
#   74 HIS  HA           69 LYS  HE+         5.50    (#   2696:20  Unique    4.74, 6.37 A)
 &rst
  ixpk= 2696, nxpk= 20, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1099,1100,
 &end
#
#    3 THR  HB            0 AMB  20-1:2697   4.50    (#   2697:20  Single Ambig)
 &rst
  ixpk= 2697, nxpk= 20, iat=  35,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1311,1312,1311,1312,
 &end
#
#   55 GLU  HG+           8 ASN  HB-         5.50    (#   2702:20  Unique    4.06, 5.31 A)
 &rst
  ixpk= 2702, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 887, 888,
 igr2= 109, 110,
 &end
#
#   70 ILE  HN           68 PHE  HA          7.00    (#   2704:20  Unique    5.19, 5.33 A)
 &rst
  ixpk= 2704, nxpk= 20, iat=1108,1068, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  20-2:2706    68 PHE  HA          4.50    (#   2706:20  Single Ambig)
 &rst
  ixpk= 2706, nxpk= 20, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1088,1188,
 &end
#
#   65 LEU  HA           68 PHE  HA          5.50    (#   2707:20  Unique    4.34, 4.42 A)
 &rst
  ixpk= 2707, nxpk= 20, iat=1025,1068, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 PHE  HZ           68 PHE  HB-         7.00    (#   2708:20  Unique    6.73, 7.39 A)
 &rst
  ixpk= 2708, nxpk= 20, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1070,1071,
 &end
#
#   69 LYS  HN           68 PHE  HB-         5.50    (#   2709:20  Unique    4.33, 4.38 A)
 &rst
  ixpk= 2709, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1070,1071,
 &end
#
#   69 LYS  HN           69 LYS  HA          3.50    (#   2710:20  Unique    2.88, 2.89 A)
 &rst
  ixpk= 2710, nxpk= 20, iat=1086,1088, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:2712    69 LYS  HA          4.50    (#   2712:20  Single Ambig)
 &rst
  ixpk= 2712, nxpk= 20, iat=  -1,1088, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1099,1100,1173,1174,
 &end
#
#   70 ILE  HN           69 LYS  HB-         4.50    (#   2713:20  Unique    3.91, 4.25 A)
 &rst
  ixpk= 2713, nxpk= 20, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1090,1091,
 &end
#
#   69 LYS  HE+          69 LYS  HG-         5.50    (#   2715:20  Unique    2.23, 3.25 A)
 &rst
  ixpk= 2715, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1099,1100,
 igr2=1093,1094,
 &end
#
#    0 AMB  20-2:2716     0 AMB  20-1:2716   5.50    (#   2716:20  Double Ambig)
 &rst
  ixpk= 2716, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1148,1149,1145,1146,1145,1146,
 igr2=1093,1094,1093,1094,1093,1094,
 &end
#
#   82 LYS  HG+           8 ASN  HB-         4.50    (#   2717:20  Unique    6.64, 7.75 A)
 &rst
  ixpk= 2717, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1305,1306,
 igr2= 109, 110,
 &end
#
#    0 AMB  20-2:2718     0 AMB  20-1:2718   2.80    (#   2718:20  Double Ambig)
 &rst
  ixpk= 2718, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1305,1306,1305,1306,
 igr2=1311,1312,1311,1312,
 &end
#
#   75 ALA  HN           69 LYS  HE+         5.50    (#   2719:20  Unique    3.43, 4.86 A)
 &rst
  ixpk= 2719, nxpk= 20, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1099,1100,
 &end
#
#   28 LEU  MDY          70 ILE  HA          5.50    (#   2721:20  Unique    3.66, 5.22 A)
 &rst
  ixpk= 2721, nxpk= 20, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 437, 438, 439, 441, 442, 443,
 &end
#
#    0 AMB  20-2:2722    70 ILE  HA          4.50    (#   2722:20  Single Ambig)
 &rst
  ixpk= 2722, nxpk= 20, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1090,1091,1093,1094,
 &end
#
#    0 AMB  20-2:2723    70 ILE  HA          5.50    (#   2723:20  Single Ambig)
 &rst
  ixpk= 2723, nxpk= 20, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 310, 311, 312,1093,1094,
 &end
#
#   25 LEU  HA           70 ILE  HA          7.00    (#   2724:20  Unique    7.47, 7.85 A)
 &rst
  ixpk= 2724, nxpk= 20, iat= 383,1110, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   17 PRO  HD+          70 ILE  HB          5.50    (#   2726:20  Unique    2.39, 2.76 A)
 &rst
  ixpk= 2726, nxpk= 20, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 261, 262,
 &end
#
#   16 LEU  MDX          70 ILE  HB          4.50    (#   2727:20  Unique    5.23, 6.78 A)
 &rst
  ixpk= 2727, nxpk= 20, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 250, 251, 252, 254, 255, 256,
 &end
#
#   28 LEU  MDY          70 ILE  HG1-        5.50    (#   2728:20  Unique    2.97, 5.32 A)
 &rst
  ixpk= 2728, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 437, 438, 439, 441, 442, 443,
 igr2=1118,1119,
 &end
#
#   28 LEU  MDY          70 ILE  HG1+        5.50    (#   2729:20  Unique    2.97, 5.32 A)
 &rst
  ixpk= 2729, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 437, 438, 439, 441, 442, 443,
 igr2=1118,1119,
 &end
#
#   25 LEU  MDX          70 ILE  HG1-        4.50    (#   2730:20  Unique    3.58, 6.39 A)
 &rst
  ixpk= 2730, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2=1118,1119,
 &end
#
#   25 LEU  MDX          70 ILE  HG1+        4.50    (#   2731:20  Unique    3.58, 6.39 A)
 &rst
  ixpk= 2731, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2=1118,1119,
 &end
#
#   70 ILE  HN           70 ILE  HG1-        4.50    (#   2733:20  Unique    2.13, 2.92 A)
 &rst
  ixpk= 2733, nxpk= 20, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1118,1119,
 &end
#
#   76 MET  HN           70 ILE  HG1-        5.50    (#   2734:20  Unique    2.94, 3.82 A)
 &rst
  ixpk= 2734, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1118,1119,
 &end
#
#    0 AMB  20-2:2735     0 AMB  20-1:2735   5.50    (#   2735:20  Double Ambig)
 &rst
  ixpk= 2735, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 467,1066,
 igr2= 432, 433,1121,1122,1123,
 &end
#
#   69 LYS  HB+          70 ILE  MG2         5.50    (#   2736:20  Unique    6.84, 7.73 A)
 &rst
  ixpk= 2736, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1090,1091,
 igr2=1114,1115,1116,
 &end
#
#    0 AMB  20-2:2737    70 ILE  MG2         4.50    (#   2737:20  Single Ambig)
 &rst
  ixpk= 2737, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 368, 369,1200,1201,
 igr2=1114,1115,1116,
 &end
#
#   17 PRO  HA           70 ILE  MG2         5.50    (#   2739:20  Unique    6.06, 6.75 A)
 &rst
  ixpk= 2739, nxpk= 20, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1114,1115,1116,
 &end
#
#    0 AMB  20-2:2740    70 ILE  MG2         5.50    (#   2740:20  Single Ambig)
 &rst
  ixpk= 2740, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 308, 366,
 igr2=1114,1115,1116,
 &end
#
#    4 GLU  HN            3 THR  MG2         5.50    (#   2748:20  Unique    2.02, 4.20 A)
 &rst
  ixpk= 2748, nxpk= 20, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  37,  38,  39,
 &end
#
#    0 AMB  20-2:2750    71 THR  MG2         5.50    (#   2750:20  Single Ambig)
 &rst
  ixpk= 2750, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 267, 268, 293, 294,
 igr2=1133,1134,1135,
 &end
#
#    0 AMB  20-2:2751     0 AMB  20-1:2751   4.50    (#   2751:20  Double Ambig)
 &rst
  ixpk= 2751, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
 igr1= 904, 905, 906, 908, 909, 910,1121,1122,1123,
 igr2= 872, 873, 874,1133,1134,1135,
 &end
#
#   69 LYS  HE+          72 PRO  HA          5.50    (#   2752:20  Unique    2.72, 4.06 A)
 &rst
  ixpk= 2752, nxpk= 20, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1099,1100,
 &end
#
#   74 HIS  HN           72 PRO  HA          4.50    (#   2756:20  Unique    3.56, 4.03 A)
 &rst
  ixpk= 2756, nxpk= 20, iat=1169,1151, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:2757     0 AMB  20-1:2757   4.50    (#   2757:20  Double Ambig)
 &rst
  ixpk= 2757, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 706, 707, 706, 707,
 igr2= 703, 704, 703, 704,
 &end
#
#   72 PRO  HD+          72 PRO  HB-         4.50    (#   2761:20  Unique    2.83, 3.68 A)
 &rst
  ixpk= 2761, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1142,1143,
 igr2=1148,1149,
 &end
#
#    0 AMB  20-2:2762     0 AMB  20-1:2762   5.50    (#   2762:20  Double Ambig)
 &rst
  ixpk= 2762, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1131, 638,1129,
 igr2=1148,1149, 703, 704,
 &end
#
#   57 GLN  HE2-         33 PRO  HB+         5.50    (#   2763:20  Unique    4.17, 6.06 A)
 &rst
  ixpk= 2763, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 926, 927,
 igr2= 525, 526,
 &end
#
#   44 ARG  HE           44 ARG  HB+         5.50    (#   2764:20  Unique    1.96, 2.87 A)
 &rst
  ixpk= 2764, nxpk= 20, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 703, 704,
 &end
#
#   46 ASP  HN           44 ARG  HB+         5.50    (#   2765:20  Unique    2.42, 3.60 A)
 &rst
  ixpk= 2765, nxpk= 20, iat= 740,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 703, 704,
 &end
#
#    0 AMB  20-2:2767     0 AMB  20-1:2767   4.50    (#   2767:20  Double Ambig)
 &rst
  ixpk= 2767, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1161,1162,1163,1093,1094,
 igr2=1148,1149,1148,1149,
 &end
#
#    8 ASN  HN            7 PRO  HG+         5.50    (#   2769:20  Unique    4.78, 5.24 A)
 &rst
  ixpk= 2769, nxpk= 20, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  95,  96,
 &end
#
#    0 AMB  20-2:2771    72 PRO  HD-         3.50    (#   2771:20  Single Ambig)
 &rst
  ixpk= 2771, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1145,1146,1145,1146,1148,1149,
 igr2=1142,1143,
 &end
#
#   72 PRO  HB+          72 PRO  HD+         5.50    (#   2772:20  Unique    2.83, 3.68 A)
 &rst
  ixpk= 2772, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1148,1149,
 igr2=1142,1143,
 &end
#
#   72 PRO  HA           72 PRO  HD+         5.50    (#   2774:20  Unique    3.43, 3.74 A)
 &rst
  ixpk= 2774, nxpk= 20, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1142,1143,
 &end
#
#   72 PRO  HA           72 PRO  HD-         5.50    (#   2775:20  Unique    3.43, 3.74 A)
 &rst
  ixpk= 2775, nxpk= 20, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1142,1143,
 &end
#
#    0 AMB  20-2:2779    38 VAL  MGX         4.50    (#   2779:20  Single Ambig)
 &rst
  ixpk= 2779, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 616, 617, 585, 586,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   17 PRO  HD-          74 HIS  HA          5.50    (#   2784:20  Unique    4.32, 5.45 A)
 &rst
  ixpk= 2784, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 261, 262,
 &end
#
#   69 LYS  HD-          75 ALA  HA          4.50    (#   2788:20  Unique    2.29, 2.96 A)
 &rst
  ixpk= 2788, nxpk= 20, iat=  -1,1188, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1096,1097,
 &end
#
#    0 AMB  20-2:2793    75 ALA  MB          5.50    (#   2793:20  Single Ambig)
 &rst
  ixpk= 2793, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1226,1227,1217,1218,
 igr2=1190,1191,1192,
 &end
#
#   16 LEU  MDX          76 MET  HA          4.50    (#   2795:20  Unique    2.61, 5.14 A)
 &rst
  ixpk= 2795, nxpk= 20, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 250, 251, 252, 254, 255, 256,
 &end
#
#   25 LEU  MDX          25 LEU  HA          4.50    (#   2796:20  Unique    2.20, 3.68 A)
 &rst
  ixpk= 2796, nxpk= 20, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 390, 391, 392, 394, 395, 396,
 &end
#
#    0 AMB  20-2:2797     0 AMB  20-1:2797   4.50    (#   2797:20  Double Ambig)
 &rst
  ixpk= 2797, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 385, 386,1220,1221,
 igr2= 383,1198,
 &end
#
#   15 ASN  HD2-         76 MET  HA          5.50    (#   2798:20  Unique    4.19, 5.06 A)
 &rst
  ixpk= 2798, nxpk= 20, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 236, 237,
 &end
#
#    0 AMB  20-2:2799    76 MET  HA          5.50    (#   2799:20  Single Ambig)
 &rst
  ixpk= 2799, nxpk= 20, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 213,1059,
 &end
#
#   75 ALA  HA           76 MET  HB-         5.50    (#   2800:20  Unique    4.40, 4.52 A)
 &rst
  ixpk= 2800, nxpk= 20, iat=1188,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1200,1201,
 &end
#
#   76 MET  ME           76 MET  HB-         4.50    (#   2802:20  Unique    2.22, 3.58 A)
 &rst
  ixpk= 2802, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1207,1208,1209,
 igr2=1200,1201,
 &end
#
#    0 AMB  20-2:2803    76 MET  HB-         5.50    (#   2803:20  Single Ambig)
 &rst
  ixpk= 2803, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1=1245,1246, 245, 246,1239,
 igr2=1200,1201,
 &end
#
#   70 ILE  HG1-         76 MET  HB-         5.50    (#   2804:20  Unique    2.24, 3.60 A)
 &rst
  ixpk= 2804, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1118,1119,
 igr2=1200,1201,
 &end
#
#   76 MET  ME           76 MET  HG+         4.50    (#   2807:20  Unique    2.60, 3.74 A)
 &rst
  ixpk= 2807, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1207,1208,1209,
 igr2=1203,1204,
 &end
#
#   76 MET  ME           76 MET  HG-         4.50    (#   2808:20  Unique    2.60, 3.74 A)
 &rst
  ixpk= 2808, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1207,1208,1209,
 igr2=1203,1204,
 &end
#
#    0 AMB  20-2:2810     0 AMB  20-1:2810   4.50    (#   2810:20  Double Ambig)
 &rst
  ixpk= 2810, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1188,1088,
 igr2=1061,1062,1061,1062,
 &end
#
#   44 ARG  HN           41 VAL  HA          4.50    (#   2811:20  Unique    4.60, 4.95 A)
 &rst
  ixpk= 2811, nxpk= 20, iat= 699, 657, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 GLU  HG-          79 THR  HA          4.50    (#   2812:20  Unique    2.63, 6.59 A)
 &rst
  ixpk= 2812, nxpk= 20, iat=  -1,1256, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  52,  53,
 &end
#
#    0 AMB  20-2:2813     0 AMB  20-1:2813   4.50    (#   2813:20  Double Ambig)
 &rst
  ixpk= 2813, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 675, 676,  49,  50,
 igr2= 657,1256,
 &end
#
#   47 ILE  MD1          41 VAL  HB          3.50    (#   2815:20  Unique    2.23, 3.13 A)
 &rst
  ixpk= 2815, nxpk= 20, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 765, 766, 767,
 &end
#
#   48 ALA  HN            0 AMB  20-1:2816   5.50    (#   2816:20  Single Ambig)
 &rst
  ixpk= 2816, nxpk= 20, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   44 ARG  HN            0 AMB  20-1:2817   5.50    (#   2817:20  Single Ambig)
 &rst
  ixpk= 2817, nxpk= 20, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   12 PHE  HZ            0 AMB  20-1:2818   4.50    (#   2818:20  Single Ambig)
 &rst
  ixpk= 2818, nxpk= 20, iat= 186,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   48 ALA  HA            0 AMB  20-1:2820   3.50    (#   2820:20  Single Ambig)
 &rst
  ixpk= 2820, nxpk= 20, iat= 773,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#    0 AMB  20-2:2821     0 AMB  20-1:2821   5.50    (#   2821:20  Double Ambig)
 &rst
  ixpk= 2821, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 785, 786, 785, 786,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   47 ILE  MG2          41 VAL  MGX         4.50    (#   2823:20  Unique    5.29, 7.38 A)
 &rst
  ixpk= 2823, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 758, 759, 760,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   44 ARG  HB+          41 VAL  MGX         4.50    (#   2824:20  Unique    2.43, 5.04 A)
 &rst
  ixpk= 2824, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 703, 704,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#    0 AMB  20-2:2827    41 VAL  MGX         5.50    (#   2827:20  Single Ambig)
 &rst
  ixpk= 2827, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 689, 690, 689, 690,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   44 ARG  HD-          41 VAL  MGX         5.50    (#   2828:20  Unique    3.03, 6.65 A)
 &rst
  ixpk= 2828, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 709, 710,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   44 ARG  HD+          41 VAL  MGX         5.50    (#   2829:20  Unique    3.03, 6.65 A)
 &rst
  ixpk= 2829, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 709, 710,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   49 PHE  HE           41 VAL  MGX         4.50    (#   2830:20  Unique    2.47, 6.40 A)
 &rst
  ixpk= 2830, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 791, 795,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#    0 AMB  20-2:2831    41 VAL  MGX         4.50    (#   2831:20  Single Ambig)
 &rst
  ixpk= 2831, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 789, 797, 184, 188,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   41 VAL  HN           41 VAL  MGX         3.50    (#   2832:20  Unique    2.25, 4.03 A)
 &rst
  ixpk= 2832, nxpk= 20, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   42 PRO  HD-          42 PRO  HA          5.50    (#   2833:20  Unique    3.37, 3.79 A)
 &rst
  ixpk= 2833, nxpk= 20, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 672, 673,
 &end
#
#   43 ASN  HB+          42 PRO  HA          5.50    (#   2834:20  Unique    4.44, 5.21 A)
 &rst
  ixpk= 2834, nxpk= 20, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 689, 690,
 &end
#
#   40 LEU  HG           42 PRO  HA          5.50    (#   2835:20  Unique    6.33, 7.05 A)
 &rst
  ixpk= 2835, nxpk= 20, iat= 643, 681, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2836    42 PRO  HA          5.50    (#   2836:20  Single Ambig)
 &rst
  ixpk= 2836, nxpk= 20, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   41 VAL  HA           42 PRO  HB+         5.50    (#   2837:20  Unique    4.72, 5.27 A)
 &rst
  ixpk= 2837, nxpk= 20, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 678, 679,
 &end
#
#   41 VAL  HA            0 AMB  20-1:2838   5.50    (#   2838:20  Single Ambig)
 &rst
  ixpk= 2838, nxpk= 20, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 703, 704, 678, 679,
 &end
#
#   43 ASN  HD2-         42 PRO  HB+         5.50    (#   2839:20  Unique    3.85, 7.99 A)
 &rst
  ixpk= 2839, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 694, 695,
 igr2= 678, 679,
 &end
#
#    0 AMB  20-2:2841     0 AMB  20-1:2841   4.50    (#   2841:20  Double Ambig)
 &rst
  ixpk= 2841, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 igr2= 675, 676, 675, 676,
 &end
#
#    0 AMB  20-2:2842    42 PRO  HG-         4.50    (#   2842:20  Single Ambig)
 &rst
  ixpk= 2842, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 igr2= 675, 676,
 &end
#
#   42 PRO  HA           42 PRO  HD-         4.50    (#   2843:20  Unique    3.37, 3.79 A)
 &rst
  ixpk= 2843, nxpk= 20, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 672, 673,
 &end
#
#   42 PRO  HA           42 PRO  HD+         4.50    (#   2844:20  Unique    3.37, 3.79 A)
 &rst
  ixpk= 2844, nxpk= 20, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 672, 673,
 &end
#
#   45 HIS  HA           42 PRO  HD-         5.50    (#   2845:20  Unique    6.13, 7.83 A)
 &rst
  ixpk= 2845, nxpk= 20, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 672, 673,
 &end
#
#   45 HIS  HA           42 PRO  HD+         5.50    (#   2846:20  Unique    6.13, 7.83 A)
 &rst
  ixpk= 2846, nxpk= 20, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 672, 673,
 &end
#
#   43 ASN  HN           42 PRO  HD-         5.50    (#   2847:20  Unique    3.71, 4.68 A)
 &rst
  ixpk= 2847, nxpk= 20, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 672, 673,
 &end
#
#   43 ASN  HN           42 PRO  HD+         5.50    (#   2848:20  Unique    3.71, 4.68 A)
 &rst
  ixpk= 2848, nxpk= 20, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 672, 673,
 &end
#
#   41 VAL  HN           42 PRO  HD-         5.50    (#   2849:20  Unique    3.78, 4.78 A)
 &rst
  ixpk= 2849, nxpk= 20, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 672, 673,
 &end
#
#   41 VAL  HN           42 PRO  HD+         5.50    (#   2850:20  Unique    3.78, 4.78 A)
 &rst
  ixpk= 2850, nxpk= 20, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 672, 673,
 &end
#
#   45 HIS  HN           43 ASN  HA          5.50    (#   2851:20  Unique    4.06, 5.74 A)
 &rst
  ixpk= 2851, nxpk= 20, iat= 723, 687, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   43 ASN  HD2-         43 ASN  HA          5.50    (#   2852:20  Unique    2.48, 4.51 A)
 &rst
  ixpk= 2852, nxpk= 20, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 694, 695,
 &end
#
#   42 PRO  HA           43 ASN  HA          4.50    (#   2853:20  Unique    4.23, 4.37 A)
 &rst
  ixpk= 2853, nxpk= 20, iat= 681, 687, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 PRO  HB+          43 ASN  HA          5.50    (#   2854:20  Unique    4.68, 5.46 A)
 &rst
  ixpk= 2854, nxpk= 20, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 678, 679,
 &end
#
#   42 PRO  HB-          43 ASN  HA          5.50    (#   2856:20  Unique    4.68, 5.46 A)
 &rst
  ixpk= 2856, nxpk= 20, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 678, 679,
 &end
#
#   43 ASN  HD2+         43 ASN  HB+         4.50    (#   2859:20  Unique    2.19, 3.32 A)
 &rst
  ixpk= 2859, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 694, 695,
 igr2= 689, 690,
 &end
#
#   44 ARG  HE           44 ARG  HB-         4.50    (#   2860:20  Unique    1.96, 2.87 A)
 &rst
  ixpk= 2860, nxpk= 20, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 703, 704,
 &end
#
#   44 ARG  HE           44 ARG  HB+         4.50    (#   2861:20  Unique    1.96, 2.87 A)
 &rst
  ixpk= 2861, nxpk= 20, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 703, 704,
 &end
#
#   42 PRO  HA           42 PRO  HB-         3.50    (#   2862:20  Unique    2.31, 2.56 A)
 &rst
  ixpk= 2862, nxpk= 20, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 678, 679,
 &end
#
#    0 AMB  20-2:2863    44 ARG  HB-         4.50    (#   2863:20  Single Ambig)
 &rst
  ixpk= 2863, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 706, 707, 706, 707,
 igr2= 703, 704,
 &end
#
#   44 ARG  HN           44 ARG  HD+         5.50    (#   2866:20  Unique    3.90, 5.13 A)
 &rst
  ixpk= 2866, nxpk= 20, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 709, 710,
 &end
#
#   44 ARG  HN           44 ARG  HD-         5.50    (#   2867:20  Unique    3.90, 5.13 A)
 &rst
  ixpk= 2867, nxpk= 20, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 709, 710,
 &end
#
#   47 ILE  HN           44 ARG  HD+         5.50    (#   2869:20  Unique    5.29, 6.22 A)
 &rst
  ixpk= 2869, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 709, 710,
 &end
#
#   19 GLU  HA           18 GLU  HA          5.50    (#   2873:20  Unique    4.70, 4.81 A)
 &rst
  ixpk= 2873, nxpk= 20, iat= 291, 276, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 PRO  HA           18 GLU  HA          5.50    (#   2874:20  Unique    4.31, 4.40 A)
 &rst
  ixpk= 2874, nxpk= 20, iat= 270, 276, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 ASP  HN           46 ASP  HA          5.50    (#   2876:20  Unique    2.82, 2.89 A)
 &rst
  ixpk= 2876, nxpk= 20, iat= 740, 742, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 ASP  HB+          46 ASP  HA          3.50    (#   2879:20  Unique    2.31, 2.49 A)
 &rst
  ixpk= 2879, nxpk= 20, iat=  -1, 742, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 744, 745,
 &end
#
#   46 ASP  HB-          46 ASP  HA          4.50    (#   2880:20  Unique    2.31, 2.49 A)
 &rst
  ixpk= 2880, nxpk= 20, iat=  -1, 742, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 744, 745,
 &end
#
#   47 ILE  MG2          46 ASP  HB+         7.00    (#   2881:20  Unique    2.76, 5.16 A)
 &rst
  ixpk= 2881, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 758, 759, 760,
 igr2= 744, 745,
 &end
#
#   47 ILE  HN           46 ASP  HB-         5.50    (#   2882:20  Unique    2.70, 4.17 A)
 &rst
  ixpk= 2882, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 744, 745,
 &end
#
#   16 LEU  HN           46 ASP  HB-         5.50    (#   2883:20  Unique    3.19, 4.28 A)
 &rst
  ixpk= 2883, nxpk= 20, iat= 241,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 744, 745,
 &end
#
#   15 ASN  HN           46 ASP  HB-         5.50    (#   2884:20  Unique    3.87, 5.11 A)
 &rst
  ixpk= 2884, nxpk= 20, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 744, 745,
 &end
#
#   15 ASN  HN           46 ASP  HB+         5.50    (#   2885:20  Unique    3.87, 5.11 A)
 &rst
  ixpk= 2885, nxpk= 20, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 744, 745,
 &end
#
#   12 PHE  HZ           47 ILE  HA          5.50    (#   2886:20  Unique    5.09, 5.21 A)
 &rst
  ixpk= 2886, nxpk= 20, iat= 186, 754, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 HIS  HA           47 ILE  HA          7.00    (#   2887:20  Unique    5.32, 5.76 A)
 &rst
  ixpk= 2887, nxpk= 20, iat= 725, 754, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  20-2:2888    47 ILE  HA          4.50    (#   2888:20  Single Ambig)
 &rst
  ixpk= 2888, nxpk= 20, iat=  -1, 754, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 773, 229, 243,
 &end
#
#   49 PHE  HE           47 ILE  HB          5.50    (#   2889:20  Unique    5.10, 6.48 A)
 &rst
  ixpk= 2889, nxpk= 20, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 791, 795,
 &end
#
#    0 AMB  20-2:2890     0 AMB  20-1:2890   4.50    (#   2890:20  Double Ambig)
 &rst
  ixpk= 2890, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 880, 655,
 igr2= 899, 900, 756,
 &end
#
#    0 AMB  20-2:2891    47 ILE  HG1-        4.50    (#   2891:20  Single Ambig)
 &rst
  ixpk= 2891, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 703, 704, 756,
 igr2= 762, 763,
 &end
#
#   44 ARG  HB+          47 ILE  HG1-        5.50    (#   2892:20  Unique    2.14, 4.44 A)
 &rst
  ixpk= 2892, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 703, 704,
 igr2= 762, 763,
 &end
#
#   14 THR  MG2          47 ILE  MD1         4.50    (#   2894:20  Unique    4.68, 6.89 A)
 &rst
  ixpk= 2894, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 219, 220, 221,
 igr2= 765, 766, 767,
 &end
#
#   25 LEU  HG            0 AMB  20-1:2895   4.50    (#   2895:20  Single Ambig)
 &rst
  ixpk= 2895, nxpk= 20, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=1121,1122,1123, 432, 433,
 &end
#
#   48 ALA  HA           47 ILE  MD1         5.50    (#   2897:20  Unique    3.63, 5.29 A)
 &rst
  ixpk= 2897, nxpk= 20, iat= 773,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 765, 766, 767,
 &end
#
#    0 AMB  20-2:2898    47 ILE  MD1         7.00    (#   2898:20  Single Ambig)
 &rst
  ixpk= 2898, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 781, 227,
 igr2= 765, 766, 767,
 &end
#
#   44 ARG  HE           47 ILE  MD1         4.50    (#   2899:20  Unique    2.50, 4.02 A)
 &rst
  ixpk= 2899, nxpk= 20, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 765, 766, 767,
 &end
#
#   41 VAL  HN           47 ILE  MD1         5.50    (#   2900:20  Unique    3.34, 4.90 A)
 &rst
  ixpk= 2900, nxpk= 20, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 765, 766, 767,
 &end
#
#   46 ASP  HB-          47 ILE  MG2         5.50    (#   2901:20  Unique    2.76, 5.16 A)
 &rst
  ixpk= 2901, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 744, 745,
 igr2= 758, 759, 760,
 &end
#
#   46 ASP  HB+          47 ILE  MG2         4.50    (#   2902:20  Unique    2.76, 5.16 A)
 &rst
  ixpk= 2902, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 744, 745,
 igr2= 758, 759, 760,
 &end
#
#    0 AMB  20-2:2903    47 ILE  MG2         4.50    (#   2903:20  Single Ambig)
 &rst
  ixpk= 2903, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 229, 773, 243,
 igr2= 758, 759, 760,
 &end
#
#   46 ASP  HA           47 ILE  MG2         4.50    (#   2904:20  Unique    4.57, 5.43 A)
 &rst
  ixpk= 2904, nxpk= 20, iat= 742,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 758, 759, 760,
 &end
#
#   12 PHE  HD           47 ILE  MG2         5.50    (#   2905:20  Unique    6.12, 6.94 A)
 &rst
  ixpk= 2905, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 182, 190,
 igr2= 758, 759, 760,
 &end
#
#   47 ILE  HN           47 ILE  MG2         3.50    (#   2906:20  Unique    2.94, 3.72 A)
 &rst
  ixpk= 2906, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 758, 759, 760,
 &end
#
#   46 ASP  HN           47 ILE  MG2         5.50    (#   2908:20  Unique    4.02, 5.23 A)
 &rst
  ixpk= 2908, nxpk= 20, iat= 740,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 758, 759, 760,
 &end
#
#   49 PHE  HE           48 ALA  HA          5.50    (#   2909:20  Unique    4.58, 6.28 A)
 &rst
  ixpk= 2909, nxpk= 20, iat=  -1, 773, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 791, 795,
 &end
#
#   49 PHE  HA           48 ALA  HA          4.50    (#   2910:20  Unique    4.59, 4.61 A)
 &rst
  ixpk= 2910, nxpk= 20, iat= 783, 773, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   47 ILE  HA            0 AMB  20-1:2911   4.50    (#   2911:20  Single Ambig)
 &rst
  ixpk= 2911, nxpk= 20, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 773, 243,
 &end
#
#    0 AMB  20-2:2912     0 AMB  20-1:2912   5.50    (#   2912:20  Double Ambig)
 &rst
  ixpk= 2912, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1173,1174, 785, 786,
 igr2= 243, 773,
 &end
#
#    0 AMB  20-2:2913    48 ALA  HA          5.50    (#   2913:20  Single Ambig)
 &rst
  ixpk= 2913, nxpk= 20, iat=  -1, 773, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 659, 600,
 &end
#
#   40 LEU  MDY          20 THR  MG2         2.80    (#   2915:20  Unique    2.99, 5.51 A)
 &rst
  ixpk= 2915, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 645, 646, 647, 649, 650, 651,
 igr2= 310, 311, 312,
 &end
#
#    0 AMB  20-2:2916    20 THR  MG2         2.80    (#   2916:20  Single Ambig)
 &rst
  ixpk= 2916, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 264, 265, 264, 265, 643,
 igr2= 310, 311, 312,
 &end
#
#   24 MET  HG-          20 THR  MG2         4.50    (#   2917:20  Unique    3.37, 5.11 A)
 &rst
  ixpk= 2917, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 371, 372,
 igr2= 310, 311, 312,
 &end
#
#   16 LEU  HA           20 THR  MG2         4.50    (#   2918:20  Unique    4.81, 5.92 A)
 &rst
  ixpk= 2918, nxpk= 20, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 310, 311, 312,
 &end
#
#   19 GLU  HN           20 THR  MG2         5.50    (#   2919:20  Unique    6.87, 7.18 A)
 &rst
  ixpk= 2919, nxpk= 20, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 310, 311, 312,
 &end
#
#   22 GLU  HN           20 THR  MG2         5.50    (#   2920:20  Unique    4.89, 6.05 A)
 &rst
  ixpk= 2920, nxpk= 20, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 310, 311, 312,
 &end
#
#   77 LYS  HN           13 LEU  HA          5.50    (#   2921:20  Unique    4.52, 4.59 A)
 &rst
  ixpk= 2921, nxpk= 20, iat=1213, 196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 ILE  HA           13 LEU  HA          5.50    (#   2922:20  Unique    5.23, 5.31 A)
 &rst
  ixpk= 2922, nxpk= 20, iat= 754, 196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   77 LYS  HB-          13 LEU  HA          4.50    (#   2923:20  Unique    4.95, 5.68 A)
 &rst
  ixpk= 2923, nxpk= 20, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1217,1218,
 &end
#
#   48 ALA  MB           13 LEU  HA          5.50    (#   2924:20  Unique    5.04, 6.27 A)
 &rst
  ixpk= 2924, nxpk= 20, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 775, 776, 777,
 &end
#
#    0 AMB  20-2:2926     0 AMB  20-1:2926   4.50    (#   2926:20  Double Ambig)
 &rst
  ixpk= 2926, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1= 807, 808, 809, 811, 812, 813, 248,
 igr2= 198, 199, 159, 160,
 &end
#
#   48 ALA  MB           13 LEU  HB-         5.50    (#   2927:20  Unique    2.32, 3.75 A)
 &rst
  ixpk= 2927, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 775, 776, 777,
 igr2= 198, 199,
 &end
#
#   69 LYS  HN           69 LYS  HD-         3.50    (#   2928:20  Unique    3.09, 3.88 A)
 &rst
  ixpk= 2928, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1096,1097,
 &end
#
#   49 PHE  HA           13 LEU  HG          7.00    (#   2930:20  Unique    5.95, 6.22 A)
 &rst
  ixpk= 2930, nxpk= 20, iat= 783, 201, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   11 LEU  HB+          13 LEU  MDX         4.50    (#   2932:20  Unique    2.61, 4.74 A)
 &rst
  ixpk= 2932, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 159, 160,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:2933    13 LEU  MDX         5.50    (#   2933:20  Single Ambig)
 &rst
  ixpk= 2933, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1200,1201, 451, 452,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:2934     0 AMB  20-1:2934   5.50    (#   2934:20  Double Ambig)
 &rst
  ixpk= 2934, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr1= 322, 323, 946, 947, 946, 947,
 igr2= 645, 646, 647, 649, 650, 651, 904, 905, 906, 908,
       909, 910,
 &end
#
#   62 LYS  HA           13 LEU  MDX         5.50    (#   2935:20  Unique    5.15, 6.96 A)
 &rst
  ixpk= 2935, nxpk= 20, iat= 978,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   66 GLN  HA           13 LEU  MDX         5.50    (#   2936:20  Unique    6.69, 7.99 A)
 &rst
  ixpk= 2936, nxpk= 20, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:2937    13 LEU  MDX         4.50    (#   2937:20  Single Ambig)
 &rst
  ixpk= 2937, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 383,1198,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   48 ALA  HA           13 LEU  MDX         5.50    (#   2938:20  Unique    5.86, 7.21 A)
 &rst
  ixpk= 2938, nxpk= 20, iat= 773,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   50 VAL  HA           13 LEU  MDX         4.50    (#   2939:20  Unique    5.14, 6.41 A)
 &rst
  ixpk= 2939, nxpk= 20, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   49 PHE  HA           13 LEU  MDX         5.50    (#   2940:20  Unique    3.46, 5.35 A)
 &rst
  ixpk= 2940, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   21 ASN  HN           40 LEU  MDX         4.50    (#   2941:20  Unique    3.62, 5.46 A)
 &rst
  ixpk= 2941, nxpk= 20, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   29 PHE  HD           13 LEU  MDX         5.50    (#   2943:20  Unique    4.37, 6.26 A)
 &rst
  ixpk= 2943, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 455, 463,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   79 THR  HN           13 LEU  MDY         5.50    (#   2944:20  Unique    3.14, 5.77 A)
 &rst
  ixpk= 2944, nxpk= 20, iat=1254,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   29 PHE  HD           13 LEU  MDY         5.50    (#   2945:20  Unique    4.37, 6.26 A)
 &rst
  ixpk= 2945, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 455, 463,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   29 PHE  HE           13 LEU  MDY         5.50    (#   2946:20  Unique    2.34, 4.59 A)
 &rst
  ixpk= 2946, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 457, 461,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   50 VAL  HA           13 LEU  MDY         5.50    (#   2949:20  Unique    5.14, 6.41 A)
 &rst
  ixpk= 2949, nxpk= 20, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:2950    13 LEU  MDY         5.50    (#   2950:20  Single Ambig)
 &rst
  ixpk= 2950, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1200,1201, 451, 452,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:2951     0 AMB  20-1:2951   4.50    (#   2951:20  Double Ambig)
 &rst
  ixpk= 2951, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 126, 127, 126, 127, 744, 745, 921, 922, 921, 922,
      
 igr2= 868, 215,
 &end
#
#   47 ILE  HA           14 THR  HB          5.50    (#   2953:20  Unique    4.54, 4.78 A)
 &rst
  ixpk= 2953, nxpk= 20, iat= 754, 217, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 ASP  HA           14 THR  HB          7.00    (#   2954:20  Unique    6.69, 7.12 A)
 &rst
  ixpk= 2954, nxpk= 20, iat= 742, 217, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   15 ASN  HB-          14 THR  HB          5.50    (#   2956:20  Unique    3.54, 4.13 A)
 &rst
  ixpk= 2956, nxpk= 20, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 231, 232,
 &end
#
#    0 AMB  20-2:2957    14 THR  HB          5.50    (#   2957:20  Single Ambig)
 &rst
  ixpk= 2957, nxpk= 20, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1226,1227,1223,1224,1223,1224,
 &end
#
#    0 AMB  20-2:2958    14 THR  HB          4.50    (#   2958:20  Single Ambig)
 &rst
  ixpk= 2958, nxpk= 20, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1220,1221,1220,1221,
 &end
#
#    2 GLN  HB-          14 THR  MG2         4.50    (#   2959:20  Unique    2.66, 6.78 A)
 &rst
  ixpk= 2959, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  18,  19,
 igr2= 219, 220, 221,
 &end
#
#   15 ASN  HB+          14 THR  MG2         5.50    (#   2960:20  Unique    5.82, 6.52 A)
 &rst
  ixpk= 2960, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 231, 232,
 igr2= 219, 220, 221,
 &end
#
#   15 ASN  HD2+         15 ASN  HA          4.50    (#   2964:20  Unique    4.27, 4.44 A)
 &rst
  ixpk= 2964, nxpk= 20, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 236, 237,
 &end
#
#    0 AMB  20-2:2965    15 ASN  HA          5.50    (#   2965:20  Single Ambig)
 &rst
  ixpk= 2965, nxpk= 20, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 744, 745,1173,1174,
 &end
#
#   14 THR  MG2          15 ASN  HA          5.50    (#   2966:20  Unique    5.96, 6.58 A)
 &rst
  ixpk= 2966, nxpk= 20, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 219, 220, 221,
 &end
#
#    0 AMB  20-2:2967     0 AMB  20-1:2967   5.50    (#   2967:20  Double Ambig)
 &rst
  ixpk= 2967, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1220,1221,1220,1221,
 igr2= 231, 232, 231, 232,
 &end
#
#    0 AMB  20-2:2968    15 ASN  HB-         5.50    (#   2968:20  Single Ambig)
 &rst
  ixpk= 2968, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1226,1227,1217,1218,
 igr2= 231, 232,
 &end
#
#   77 LYS  HE+          15 ASN  HB+         5.50    (#   2969:20  Unique    2.53, 4.40 A)
 &rst
  ixpk= 2969, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1226,1227,
 igr2= 231, 232,
 &end
#
#    0 AMB  20-2:2970     0 AMB  20-1:2970   5.50    (#   2970:20  Double Ambig)
 &rst
  ixpk= 2970, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1226,1227,1217,1218,
 igr2= 231, 232, 231, 232,
 &end
#
#   77 LYS  HB+          15 ASN  HB-         5.50    (#   2971:20  Unique    2.53, 3.48 A)
 &rst
  ixpk= 2971, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1217,1218,
 igr2= 231, 232,
 &end
#
#   14 THR  HA           15 ASN  HB+         5.50    (#   2974:20  Unique    4.92, 5.05 A)
 &rst
  ixpk= 2974, nxpk= 20, iat= 215,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 231, 232,
 &end
#
#   14 THR  HA           15 ASN  HB-         5.50    (#   2975:20  Unique    4.92, 5.05 A)
 &rst
  ixpk= 2975, nxpk= 20, iat= 215,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 231, 232,
 &end
#
#   39 ARG  HN           48 ALA  HA          5.50    (#   2976:20  Unique    4.75, 5.01 A)
 &rst
  ixpk= 2976, nxpk= 20, iat= 612, 773, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2977     0 AMB  20-1:2977   5.50    (#   2977:20  Double Ambig)
 &rst
  ixpk= 2977, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 659,1207,1208,1209, 600,
 igr2= 773, 243,
 &end
#
#    0 AMB  20-2:2978     0 AMB  20-1:2978   4.50    (#   2978:20  Double Ambig)
 &rst
  ixpk= 2978, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 198, 199, 198, 199, 201,
 igr2= 773, 243,
 &end
#
#   70 ILE  MD1          16 LEU  HA          3.50    (#   2979:20  Unique    2.24, 2.89 A)
 &rst
  ixpk= 2979, nxpk= 20, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1121,1122,1123,
 &end
#
#   16 LEU  HB+          16 LEU  HA          4.50    (#   2980:20  Unique    2.36, 2.71 A)
 &rst
  ixpk= 2980, nxpk= 20, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 245, 246,
 &end
#
#    0 AMB  20-2:2982    17 PRO  HA          5.50    (#   2982:20  Single Ambig)
 &rst
  ixpk= 2982, nxpk= 20, iat=  -1, 270, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1173,1174, 744, 745,
 &end
#
#    0 AMB  20-2:2983    17 PRO  HA          5.50    (#   2983:20  Single Ambig)
 &rst
  ixpk= 2983, nxpk= 20, iat=  -1, 270, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 243, 229,
 &end
#
#   46 ASP  HA           17 PRO  HA          5.50    (#   2984:20  Unique    4.34, 4.67 A)
 &rst
  ixpk= 2984, nxpk= 20, iat= 742, 270, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   71 THR  HN           17 PRO  HA          5.50    (#   2987:20  Unique    6.61, 6.85 A)
 &rst
  ixpk= 2987, nxpk= 20, iat=1127, 270, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   71 THR  HN           17 PRO  HA          5.50    (#   2988:20  Unique    6.61, 6.85 A)
 &rst
  ixpk= 2988, nxpk= 20, iat=1127, 270, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   19 GLU  HN           17 PRO  HA          4.50    (#   2989:20  Unique    3.85, 3.96 A)
 &rst
  ixpk= 2989, nxpk= 20, iat= 289, 270, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:2993    17 PRO  HB-         4.50    (#   2993:20  Single Ambig)
 &rst
  ixpk= 2993, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 278, 279, 278, 279, 245, 246,
 igr2= 267, 268,
 &end
#
#    0 AMB  20-2:2994     0 AMB  20-1:2994   3.50    (#   2994:20  Double Ambig)
 &rst
  ixpk= 2994, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 278, 279, 278, 279, 245, 246,
 igr2= 267, 268, 267, 268, 267, 268,
 &end
#
#    0 AMB  20-2:2998     0 AMB  20-1:2998   5.50    (#   2998:20  Double Ambig)
 &rst
  ixpk= 2998, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.04, r4=12.54,
 igr1= 281, 282, 281, 282, 281, 282, 368, 369,1207,1208,
      1209,
 igr2= 264, 265, 264, 265, 264, 265, 264, 265, 264, 265,
      
 &end
#
#   32 PHE  HE           62 LYS  HA          7.00    (#   3001:20  Unique    6.45, 7.22 A)
 &rst
  ixpk= 3001, nxpk= 20, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 508, 512,
 &end
#
#   59 ASN  HA           62 LYS  HA          5.50    (#   3002:20  Unique    5.18, 5.34 A)
 &rst
  ixpk= 3002, nxpk= 20, iat= 944, 978, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 HIS  HB-           0 AMB  20-1:3005   4.50    (#   3005:20  Single Ambig)
 &rst
  ixpk= 3005, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 727, 728,
 igr2= 278, 279, 278, 279,
 &end
#
#   32 PHE  HZ           31 GLN  HB+         5.50    (#   3007:20  Unique    3.44, 4.29 A)
 &rst
  ixpk= 3007, nxpk= 20, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 485, 486,
 &end
#
#   55 GLU  HN           55 GLU  HG+         4.50    (#   3008:20  Unique    1.90, 2.85 A)
 &rst
  ixpk= 3008, nxpk= 20, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 887, 888,
 &end
#
#   18 GLU  HN            0 AMB  20-1:3009   2.80    (#   3009:20  Single Ambig)
 &rst
  ixpk= 3009, nxpk= 20, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 281, 282, 281, 282,
 &end
#
#   17 PRO  HA            0 AMB  20-1:3010   4.50    (#   3010:20  Single Ambig)
 &rst
  ixpk= 3010, nxpk= 20, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 281, 282, 281, 282,
 &end
#
#    0 AMB  20-2:3011     0 AMB  20-1:3011   2.80    (#   3011:20  Double Ambig)
 &rst
  ixpk= 3011, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 126, 127, 126, 127,
 igr2= 887, 888, 887, 888,
 &end
#
#   62 LYS  HD-          63 GLU  HG-         4.50    (#   3012:20  Unique    2.60, 5.46 A)
 &rst
  ixpk= 3012, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 986, 987,
 igr2=1005,1006,
 &end
#
#   18 GLU  HA           19 GLU  HA          4.50    (#   3013:20  Unique    4.70, 4.81 A)
 &rst
  ixpk= 3013, nxpk= 20, iat= 276, 291, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 THR  MG2          19 GLU  HB+         7.00    (#   3016:20  Unique    6.21, 7.49 A)
 &rst
  ixpk= 3016, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 310, 311, 312,
 igr2= 293, 294,
 &end
#
#   43 ASN  HB+          42 PRO  HG-         5.50    (#   3018:20  Unique    3.90, 5.69 A)
 &rst
  ixpk= 3018, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 689, 690,
 igr2= 675, 676,
 &end
#
#   42 PRO  HD-          42 PRO  HG-         4.50    (#   3020:20  Unique    2.32, 2.61 A)
 &rst
  ixpk= 3020, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 672, 673,
 igr2= 675, 676,
 &end
#
#    6 PRO  HD+           7 PRO  HG+         7.00    (#   3021:20  Unique    7.24, 7.97 A)
 &rst
  ixpk= 3021, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=  78,  79,
 igr2=  95,  96,
 &end
#
#   71 THR  HB           19 GLU  HB+         7.00    (#   3022:20  Unique    5.93, 7.28 A)
 &rst
  ixpk= 3022, nxpk= 20, iat=1131,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 293, 294,
 &end
#
#   34 GLY  HA-          33 PRO  HG-         4.50    (#   3023:20  Unique    4.29, 5.88 A)
 &rst
  ixpk= 3023, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 534, 535,
 igr2= 522, 523,
 &end
#
#   20 THR  HN            0 AMB  20-1:3027   4.50    (#   3027:20  Single Ambig)
 &rst
  ixpk= 3027, nxpk= 20, iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 296, 297, 296, 297,
 &end
#
#   17 PRO  HA            0 AMB  20-1:3029   4.50    (#   3029:20  Single Ambig)
 &rst
  ixpk= 3029, nxpk= 20, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 296, 297, 296, 297,
 &end
#
#    0 AMB  20-2:3031    20 THR  HA          5.50    (#   3031:20  Single Ambig)
 &rst
  ixpk= 3031, nxpk= 20, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 645, 646, 647, 649, 650, 651, 250, 251, 252, 254,
       255, 256,
 &end
#
#   24 MET  HB+          20 THR  HA          5.50    (#   3032:20  Unique    3.40, 3.99 A)
 &rst
  ixpk= 3032, nxpk= 20, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 368, 369,
 &end
#
#   24 MET  HG-          20 THR  HA          5.50    (#   3033:20  Unique    2.63, 3.87 A)
 &rst
  ixpk= 3033, nxpk= 20, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 371, 372,
 &end
#
#   21 ASN  HN           20 THR  HB          4.50    (#   3035:20  Unique    3.60, 3.61 A)
 &rst
  ixpk= 3035, nxpk= 20, iat= 318, 308, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:3036    20 THR  HB          5.50    (#   3036:20  Single Ambig)
 &rst
  ixpk= 3036, nxpk= 20, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 645, 646, 647, 649, 650, 651, 390, 391, 392, 394,
       395, 396,
 &end
#
#   36 LYS  HN           30 ASN  HA          5.50    (#   3038:20  Unique         6.42, 7.04 A)
 &rst
  ixpk= 3038, nxpk= 20, iat= 559, 469, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 PHE  HD           30 ASN  HA          5.50    (#   3039:20  Unique         5.12, 6.47 A)
 &rst
  ixpk= 3039, nxpk= 20, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 506, 514,
 &end
#
#   35 PHE  HZ           30 ASN  HA          5.50    (#   3040:20  Unique         5.28, 5.42 A)
 &rst
  ixpk= 3040, nxpk= 20, iat= 551, 469, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:3043    30 ASN  HA          5.50    (#   3043:20  Single Ambig)
 &rst
  ixpk= 3043, nxpk= 20, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 488, 489, 488, 489,
 &end
#
#   28 LEU  HB+          30 ASN  HA          7.00    (#   3045:20  Unique         7.49, 7.70 A)
 &rst
  ixpk= 3045, nxpk= 20, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 432, 433,
 &end
#
#    0 AMB  20-2:3046     0 AMB  20-1:3046   5.50    (#   3046:20  Double Ambig)
 &rst
  ixpk= 3046, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 488, 489, 488, 489,
 igr2= 471, 472, 471, 472,
 &end
#
#    0 AMB  20-2:3047    30 ASN  HB-         4.50    (#   3047:20  Single Ambig)
 &rst
  ixpk= 3047, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 488, 489, 488, 489,
 igr2= 471, 472,
 &end
#
#   35 PHE  HB+          30 ASN  HB-         5.50    (#   3050:20  Unique         4.81, 6.48 A)
 &rst
  ixpk= 3050, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 543, 544,
 igr2= 471, 472,
 &end
#
#   35 PHE  HB+          30 ASN  HB+         5.50    (#   3051:20  Unique         4.81, 6.48 A)
 &rst
  ixpk= 3051, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 543, 544,
 igr2= 471, 472,
 &end
#
#   31 GLN  HN           30 ASN  HB-         5.50    (#   3054:20  Unique         3.12, 3.87 A)
 &rst
  ixpk= 3054, nxpk= 20, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 471, 472,
 &end
#
#    0 AMB  20-2:3056    28 LEU  HA          5.50    (#   3056:20  Single Ambig)
 &rst
  ixpk= 3056, nxpk= 20, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 418, 419, 418, 419,
 &end
#
#   28 LEU  HG           28 LEU  HA          3.50    (#   3057:20  Unique         2.88, 2.93 A)
 &rst
  ixpk= 3057, nxpk= 20, iat= 435, 430, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 LYS  HG-          35 PHE  HA          5.50    (#   3060:20  Unique         3.58, 4.78 A)
 &rst
  ixpk= 3060, nxpk= 20, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 566, 567,
 &end
#
#   57 GLN  HB-          35 PHE  HA          5.50    (#   3061:20  Unique         4.18, 5.34 A)
 &rst
  ixpk= 3061, nxpk= 20, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 918, 919,
 &end
#
#   36 LYS  HN            0 AMB  20-1:3066   5.50    (#   3066:20  Single Ambig)
 &rst
  ixpk= 3066, nxpk= 20, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 543, 544, 502, 503,
 &end
#
#   36 LYS  HN           35 PHE  HB-         5.50    (#   3067:20  Unique         3.88, 4.17 A)
 &rst
  ixpk= 3067, nxpk= 20, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 543, 544,
 &end
#
#   35 PHE  HE           35 PHE  HB+         4.50    (#   3068:20  Unique         4.60, 5.08 A)
 &rst
  ixpk= 3068, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 549, 553,
 igr2= 543, 544,
 &end
#
#   31 GLN  HN            0 AMB  20-1:3069   5.50    (#   3069:20  Single Ambig)
 &rst
  ixpk= 3069, nxpk= 20, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 502, 503, 543, 544,
 &end
#
#    0 AMB  20-2:3070    35 PHE  HB-         5.50    (#   3070:20  Single Ambig)
 &rst
  ixpk= 3070, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 581, 476, 477,
 igr2= 543, 544,
 &end
#
#   29 PHE  HA            0 AMB  20-1:3071   5.50    (#   3071:20  Single Ambig)
 &rst
  ixpk= 3071, nxpk= 20, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 543, 544, 502, 503,
 &end
# 1341 atoms read from pdb file prm1.pdb.
# 9 GLN PHI:  (8 ASN C)-(9 GLN N)-(9 GLN CA)-(9 GLN C) -103.1 -43.1
 &rst     iat =   116,   118,   120,   133,
   r1 = -104.1, r2 = -103.1, r3 = -43.1, r4 = -42.1,
   rk2 =  50.0, rk3 =  50.0,    &end

# 10 ILE PHI:  (9 GLN C)-(10 ILE N)-(10 ILE CA)-(10 ILE C) -141.6 -81.6
 &rst     iat =   133,   135,   137,   152,
   r1 = -142.6, r2 = -141.6, r3 = -81.6, r4 = -80.6,
 &end

# 10 ILE PSI:  (10 ILE N)-(10 ILE CA)-(10 ILE C)-(11 LEU N) 107.5 167.5
 &rst     iat =   135,   137,   152,   154,
   r1 = 106.5, r2 = 107.5, r3 = 167.5, r4 = 168.5,
 &end

# 11 LEU PHI:  (10 ILE C)-(11 LEU N)-(11 LEU CA)-(11 LEU C) -148.3 -88.3
 &rst     iat =   152,   154,   156,   171,
   r1 = -149.3, r2 = -148.3, r3 = -88.3, r4 = -87.3,
 &end

# 11 LEU PSI:  (11 LEU N)-(11 LEU CA)-(11 LEU C)-(12 PHE N) 106.5 166.5
 &rst     iat =   154,   156,   171,   173,
   r1 = 105.5, r2 = 106.5, r3 = 166.5, r4 = 167.5,
 &end

# 12 PHE PHI:  (11 LEU C)-(12 PHE N)-(12 PHE CA)-(12 PHE C) -146.9 -87.0
 &rst     iat =   171,   173,   175,   191,
   r1 = -147.9, r2 = -146.9, r3 = -87.0, r4 = -86.0,
 &end

# 12 PHE PSI:  (12 PHE N)-(12 PHE CA)-(12 PHE C)-(13 LEU N) 100.8 160.8
 &rst     iat =   173,   175,   191,   193,
   r1 =  99.8, r2 = 100.8, r3 = 160.8, r4 = 161.8,
 &end

# 13 LEU PHI:  (12 PHE C)-(13 LEU N)-(13 LEU CA)-(13 LEU C) -131.5 -71.5
 &rst     iat =   191,   193,   195,   210,
   r1 = -132.5, r2 = -131.5, r3 = -71.5, r4 = -70.5,
 &end

# 13 LEU PSI:  (13 LEU N)-(13 LEU CA)-(13 LEU C)-(14 THR N) 106.1 166.1
 &rst     iat =   193,   195,   210,   212,
   r1 = 105.1, r2 = 106.1, r3 = 166.1, r4 = 167.1,
 &end

# 22 GLU PHI:  (21 ASN C)-(22 GLU N)-(22 GLU CA)-(22 GLU C) -93.4 -33.4
 &rst     iat =   329,   331,   333,   344,
   r1 = -94.4, r2 = -93.4, r3 = -33.4, r4 = -32.4,
 &end

# 22 GLU PSI:  (22 GLU N)-(22 GLU CA)-(22 GLU C)-(23 MET N) -66.4  -6.4
 &rst     iat =   331,   333,   344,   346,
   r1 = -67.4, r2 = -66.4, r3 =  -6.4, r4 =  -5.4,
 &end

# 23 MET PHI:  (22 GLU C)-(23 MET N)-(23 MET CA)-(23 MET C) -93.8 -33.9
 &rst     iat =   344,   346,   348,   361,
   r1 = -94.8, r2 = -93.8, r3 = -33.9, r4 = -32.9,
 &end

# 23 MET PSI:  (23 MET N)-(23 MET CA)-(23 MET C)-(24 MET N) -71.7 -11.7
 &rst     iat =   346,   348,   361,   363,
   r1 = -72.7, r2 = -71.7, r3 = -11.7, r4 = -10.7,
 &end

# 24 MET PHI:  (23 MET C)-(24 MET N)-(24 MET CA)-(24 MET C) -96.2 -36.2
 &rst     iat =   361,   363,   365,   378,
   r1 = -97.2, r2 = -96.2, r3 = -36.2, r4 = -35.2,
 &end

# 24 MET PSI:  (24 MET N)-(24 MET CA)-(24 MET C)-(25 LEU N) -67.5  -7.5
 &rst     iat =   363,   365,   378,   380,
   r1 = -68.5, r2 = -67.5, r3 =  -7.5, r4 =  -6.5,
 &end

# 25 LEU PHI:  (24 MET C)-(25 LEU N)-(25 LEU CA)-(25 LEU C) -94.2 -34.2
 &rst     iat =   378,   380,   382,   397,
   r1 = -95.2, r2 = -94.2, r3 = -34.2, r4 = -33.2,
 &end

# 25 LEU PSI:  (25 LEU N)-(25 LEU CA)-(25 LEU C)-(26 SER N) -71.5 -11.5
 &rst     iat =   380,   382,   397,   399,
   r1 = -72.5, r2 = -71.5, r3 = -11.5, r4 = -10.5,
 &end

# 26 SER PHI:  (25 LEU C)-(26 SER N)-(26 SER CA)-(26 SER C) -94.5 -34.5
 &rst     iat =   397,   399,   401,   408,
   r1 = -95.5, r2 = -94.5, r3 = -34.5, r4 = -33.5,
 &end

# 26 SER PSI:  (26 SER N)-(26 SER CA)-(26 SER C)-(27 MET N) -72.4 -12.4
 &rst     iat =   399,   401,   408,   410,
   r1 = -73.4, r2 = -72.4, r3 = -12.4, r4 = -11.4,
 &end

# 27 MET PHI:  (26 SER C)-(27 MET N)-(27 MET CA)-(27 MET C) -95.6 -35.6
 &rst     iat =   408,   410,   412,   425,
   r1 = -96.6, r2 = -95.6, r3 = -35.6, r4 = -34.6,
 &end

# 27 MET PSI:  (27 MET N)-(27 MET CA)-(27 MET C)-(28 LEU N) -66.8  -6.8
 &rst     iat =   410,   412,   425,   427,
   r1 = -67.8, r2 = -66.8, r3 =  -6.8, r4 =  -5.8,
 &end

# 28 LEU PHI:  (27 MET C)-(28 LEU N)-(28 LEU CA)-(28 LEU C) -95.6 -35.6
 &rst     iat =   425,   427,   429,   444,
   r1 = -96.6, r2 = -95.6, r3 = -35.6, r4 = -34.6,
 &end

# 28 LEU PSI:  (28 LEU N)-(28 LEU CA)-(28 LEU C)-(29 PHE N) -64.4  -4.4
 &rst     iat =   427,   429,   444,   446,
   r1 = -65.4, r2 = -64.4, r3 =  -4.4, r4 =  -3.4,
 &end

# 29 PHE PHI:  (28 LEU C)-(29 PHE N)-(29 PHE CA)-(29 PHE C) -95.2 -35.2
 &rst     iat =   444,   446,   448,   464,
   r1 = -96.2, r2 = -95.2, r3 = -35.2, r4 = -34.2,
 &end

# 29 PHE PSI:  (29 PHE N)-(29 PHE CA)-(29 PHE C)-(30 ASN N) -64.8  -4.8
 &rst     iat =   446,   448,   464,   466,
   r1 = -65.8, r2 = -64.8, r3 =  -4.8, r4 =  -3.8,
 &end

# 30 ASN PHI:  (29 PHE C)-(30 ASN N)-(30 ASN CA)-(30 ASN C) -97.2 -37.2
 &rst     iat =   464,   466,   468,   478,
   r1 = -98.2, r2 = -97.2, r3 = -37.2, r4 = -36.2,
 &end

# 30 ASN PSI:  (30 ASN N)-(30 ASN CA)-(30 ASN C)-(31 GLN N) -62.3  -2.3
 &rst     iat =   466,   468,   478,   480,
   r1 = -63.3, r2 = -62.3, r3 =  -2.3, r4 =  -1.3,
 &end

# 38 VAL PHI:  (37 GLU C)-(38 VAL N)-(38 VAL CA)-(38 VAL C) -151.7 -91.7
 &rst     iat =   593,   595,   597,   609,
   r1 = -152.7, r2 = -151.7, r3 = -91.7, r4 = -90.7,
 &end

# 38 VAL PSI:  (38 VAL N)-(38 VAL CA)-(38 VAL C)-(39 ARG N) 105.9 165.9
 &rst     iat =   595,   597,   609,   611,
   r1 = 104.9, r2 = 105.9, r3 = 165.9, r4 = 166.9,
 &end

# 39 ARG PHI:  (38 VAL C)-(39 ARG N)-(39 ARG CA)-(39 ARG C) -150.5 -90.5
 &rst     iat =   609,   611,   613,   633,
   r1 = -151.5, r2 = -150.5, r3 = -90.5, r4 = -89.5,
 &end

# 49 PHE PHI:  (48 ALA C)-(49 PHE N)-(49 PHE CA)-(49 PHE C) -150.8 -90.8
 &rst     iat =   778,   780,   782,   798,
   r1 = -151.8, r2 = -150.8, r3 = -90.8, r4 = -89.8,
 &end

# 49 PHE PSI:  (49 PHE N)-(49 PHE CA)-(49 PHE C)-(50 VAL N) 115.3 175.3
 &rst     iat =   780,   782,   798,   800,
   r1 = 114.3, r2 = 115.3, r3 = 175.3, r4 = 176.3,
 &end

# 51 GLU PHI:  (50 VAL C)-(51 GLU N)-(51 GLU CA)-(51 GLU C) -142.1 -82.1
 &rst     iat =   814,   816,   818,   829,
   r1 = -143.1, r2 = -142.1, r3 = -82.1, r4 = -81.1,
 &end

# 51 GLU PSI:  (51 GLU N)-(51 GLU CA)-(51 GLU C)-(52 PHE N)  96.8 156.8
 &rst     iat =   816,   818,   829,   831,
   r1 =  95.8, r2 =  96.8, r3 = 156.8, r4 = 157.8,
 &end

# 52 PHE PHI:  (51 GLU C)-(52 PHE N)-(52 PHE CA)-(52 PHE C) -128.1 -68.1
 &rst     iat =   829,   831,   833,   849,
   r1 = -129.1, r2 = -128.1, r3 = -68.1, r4 = -67.1,
 &end

# 52 PHE PSI:  (52 PHE N)-(52 PHE CA)-(52 PHE C)-(53 THR N) 114.6 174.6
 &rst     iat =   831,   833,   849,   851,
   r1 = 113.6, r2 = 114.6, r3 = 174.6, r4 = 175.6,
 &end

# 57 GLN PHI:  (56 LEU C)-(57 GLN N)-(57 GLN CA)-(57 GLN C) -94.8 -34.8
 &rst     iat =   911,   913,   915,   928,
   r1 = -95.8, r2 = -94.8, r3 = -34.8, r4 = -33.8,
 &end

# 57 GLN PSI:  (57 GLN N)-(57 GLN CA)-(57 GLN C)-(58 SER N) -71.9 -11.9
 &rst     iat =   913,   915,   928,   930,
   r1 = -72.9, r2 = -71.9, r3 = -11.9, r4 = -10.9,
 &end

# 58 SER PHI:  (57 GLN C)-(58 SER N)-(58 SER CA)-(58 SER C) -94.9 -34.9
 &rst     iat =   928,   930,   932,   939,
   r1 = -95.9, r2 = -94.9, r3 = -34.9, r4 = -33.9,
 &end

# 58 SER PSI:  (58 SER N)-(58 SER CA)-(58 SER C)-(59 ASN N) -70.2 -10.2
 &rst     iat =   930,   932,   939,   941,
   r1 = -71.2, r2 = -70.2, r3 = -10.2, r4 =  -9.2,
 &end

# 59 ASN PHI:  (58 SER C)-(59 ASN N)-(59 ASN CA)-(59 ASN C) -99.8 -39.8
 &rst     iat =   939,   941,   943,   953,
   r1 = -100.8, r2 = -99.8, r3 = -39.8, r4 = -38.8,
 &end

# 59 ASN PSI:  (59 ASN N)-(59 ASN CA)-(59 ASN C)-(60 ALA N) -66.9  -6.9
 &rst     iat =   941,   943,   953,   955,
   r1 = -67.9, r2 = -66.9, r3 =  -6.9, r4 =  -5.9,
 &end

# 60 ALA PHI:  (59 ASN C)-(60 ALA N)-(60 ALA CA)-(60 ALA C) -97.3 -37.3
 &rst     iat =   953,   955,   957,   963,
   r1 = -98.3, r2 = -97.3, r3 = -37.3, r4 = -36.3,
 &end

# 60 ALA PSI:  (60 ALA N)-(60 ALA CA)-(60 ALA C)-(61 ALA N) -66.6  -6.6
 &rst     iat =   955,   957,   963,   965,
   r1 = -67.6, r2 = -66.6, r3 =  -6.6, r4 =  -5.6,
 &end

# 61 ALA PHI:  (60 ALA C)-(61 ALA N)-(61 ALA CA)-(61 ALA C) -98.2 -38.2
 &rst     iat =   963,   965,   967,   973,
   r1 = -99.2, r2 = -98.2, r3 = -38.2, r4 = -37.2,
 &end

# 61 ALA PSI:  (61 ALA N)-(61 ALA CA)-(61 ALA C)-(62 LYS N) -66.6  -6.6
 &rst     iat =   965,   967,   973,   975,
   r1 = -67.6, r2 = -66.6, r3 =  -6.6, r4 =  -5.6,
 &end

# 62 LYS PHI:  (61 ALA C)-(62 LYS N)-(62 LYS CA)-(62 LYS C) -96.6 -36.6
 &rst     iat =   973,   975,   977,   995,
   r1 = -97.6, r2 = -96.6, r3 = -36.6, r4 = -35.6,
 &end

# 62 LYS PSI:  (62 LYS N)-(62 LYS CA)-(62 LYS C)-(63 GLU N) -67.2  -7.2
 &rst     iat =   975,   977,   995,   997,
   r1 = -68.2, r2 = -67.2, r3 =  -7.2, r4 =  -6.2,
 &end

# 63 GLU PHI:  (62 LYS C)-(63 GLU N)-(63 GLU CA)-(63 GLU C) -90.9 -30.9
 &rst     iat =   995,   997,   999,  1010,
   r1 = -91.9, r2 = -90.9, r3 = -30.9, r4 = -29.9,
 &end

# 63 GLU PSI:  (63 GLU N)-(63 GLU CA)-(63 GLU C)-(64 ALA N) -66.9  -6.9
 &rst     iat =   997,   999,  1010,  1012,
   r1 = -67.9, r2 = -66.9, r3 =  -6.9, r4 =  -5.9,
 &end

# 69 LYS PSI:  (69 LYS N)-(69 LYS CA)-(69 LYS C)-(70 ILE N)  72.0 132.0
 &rst     iat =  1085,  1087,  1105,  1107,
   r1 =  71.0, r2 =  72.0, r3 = 132.0, r4 = 133.0,
 &end

# 69 LYS PHI:  (68 PHE C)-(69 LYS N)-(69 LYS CA)-(69 LYS C) -125.0 -65.0
 &rst     iat =  1083,  1085,  1087,  1105,
   r1 = -126.0, r2 = -125.0, r3 = -65.0, r4 = -64.0,
 &end

# 75 ALA PHI:  (74 HIS C)-(75 ALA N)-(75 ALA CA)-(75 ALA C) -131.0 -71.0
 &rst     iat =  1183,  1185,  1187,  1193,
   r1 = -132.0, r2 = -131.0, r3 = -71.0, r4 = -70.0,
 &end

# 75 ALA PSI:  (75 ALA N)-(75 ALA CA)-(75 ALA C)-(76 MET N)  86.0 146.0
 &rst     iat =  1185,  1187,  1193,  1195,
   r1 =  85.0, r2 =  86.0, r3 = 146.0, r4 = 147.0,
 &end

# 77 LYS PHI:  (76 MET C)-(77 LYS N)-(77 LYS CA)-(77 LYS C) -127.4 -67.4
 &rst     iat =  1210,  1212,  1214,  1232,
   r1 = -128.4, r2 = -127.4, r3 = -67.4, r4 = -66.4,
 &end

# 77 LYS PSI:  (77 LYS N)-(77 LYS CA)-(77 LYS C)-(78 ILE N) 105.2 165.2
 &rst     iat =  1212,  1214,  1232,  1234,
   r1 = 104.2, r2 = 105.2, r3 = 165.2, r4 = 166.2,
 &end

# 78 ILE PHI:  (77 LYS C)-(78 ILE N)-(78 ILE CA)-(78 ILE C) -135.9 -75.9
 &rst     iat =  1232,  1234,  1236,  1251,
   r1 = -136.9, r2 = -135.9, r3 = -75.9, r4 = -74.9,
 &end

# 78 ILE PSI:  (78 ILE N)-(78 ILE CA)-(78 ILE C)-(79 THR N) 105.3 165.3
 &rst     iat =  1234,  1236,  1251,  1253,
   r1 = 104.3, r2 = 105.3, r3 = 165.3, r4 = 166.3,
 &end

# 80 PHE PHI:  (79 THR C)-(80 PHE N)-(80 PHE CA)-(80 PHE C) -120.7 -60.7
 &rst     iat =  1265,  1267,  1269,  1285,
   r1 = -121.7, r2 = -120.7, r3 = -60.7, r4 = -59.7,
 &end

# 80 PHE PSI:  (80 PHE N)-(80 PHE CA)-(80 PHE C)-(81 ALA N) 102.2 162.2
 &rst     iat =  1267,  1269,  1285,  1287,
   r1 = 101.2, r2 = 102.2, r3 = 162.2, r4 = 163.2,
 &end

# 81 ALA PHI:  (80 PHE C)-(81 ALA N)-(81 ALA CA)-(81 ALA C) -114.8 -54.8
 &rst     iat =  1285,  1287,  1289,  1295,
   r1 = -115.8, r2 = -114.8, r3 = -54.8, r4 = -53.8,
 &end

#
#  62 LYS+ O      66 GLN  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 996,1042, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=0,
 &end
#
#  62 LYS+ O      66 GLN  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 996,1041, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  61 ALA  O      65 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 974,1023, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  61 ALA  O      65 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 974,1022, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  56 LEU- O      60 ALA  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 912, 956, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  56 LEU- O      60 ALA  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 912, 955, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  14 THR  O      77 LYS+ HN      2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 225,1213, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  14 THR  O      77 LYS+ N       3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 225,1212, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  77 LYS+ O      14 THR  HN      2.00
 &rst
  ixpk= 0, nxpk= 0, iat=1233, 213, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  77 LYS+ O      14 THR  N       3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1233, 212, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  12 PHE  O      79 THR  HN      2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 192,1254, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  12 PHE  O      79 THR  N       3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 192,1253, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  79 THR  O      12 PHE  HN      2.00
 &rst
  ixpk= 0, nxpk= 0, iat=1266, 174, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  79 THR  O      12 PHE  N       3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1266, 173, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  10 ILE  O      81 ALA  HN      2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 153,1288, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  10 ILE  O      81 ALA  N       3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 153,1287, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  22 GLU- O      26 SER  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 400, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  22 GLU- O      26 SER  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 399, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  23 MET  O      27 LEU  HN      2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 411, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  23 MET  O      27 LEU  N       3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 410, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  24 MET  O      28 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 379, 428, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  24 MET  O      28 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 379, 427, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  25 LEU  O      29 PHE  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 398, 447, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  25 LEU  O      29 PHE  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 398, 446, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  26 SER  O      30 ASN  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 467, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  26 SER  O      30 ASN  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 466, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  57 GLN  O      61 ALA  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 929, 966, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  57 GLN  O      61 ALA  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 929, 965, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  58 SER  O      62 LYS+ HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 940, 976, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  58 SER  O      62 LYS+ N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 940, 975, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  59 ASN  O      63 GLU- HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 954, 998, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  59 ASN  O      63 GLU- N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 954, 997, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  60 ALA  O      64 ALA  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 964,1013, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  60 ALA  O      64 ALA  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 964,1012, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  13 LEU  HN     48 ALA  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 779, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  13 LEU  N      48 ALA  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 779, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  13 LEU  O      48 ALA  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 771, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  13 LEU  O      48 ALA  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 770, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  11 LEU  HN     50 VAL  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 815, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  11 LEU  N      50 VAL  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 815, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  11 LEU  O      50 VAL  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 801, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  11 LEU  O      50 VAL  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 800, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  39 ARG+ HN     49 PHE  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 612, 799, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  39 ARG+ N      49 PHE  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 799, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  39 ARG+ O      49 PHE  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 634, 781, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  39 ARG+ O      49 PHE  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 634, 780, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  37 GLU- O      51 GLU- HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 817, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  37 GLU- O      51 GLU- N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 816, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  51 GLU- O      37 GLU- HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 581, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  51 GLU- O      37 GLU- N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 580, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   9 GLN  O       52 PHE  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 832, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   9 GLN  O       52 PHE  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 831, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   76 MET  HB+          76 MET  HN          3.50    (#      0:10  Unique    2.27, 2.43 A)
 &rst
  ixpk= 0, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1=1200,1201,
 &end
#
#    0 AMB  10-2:1       76 MET  HN          4.50    (#      1:10  Single Ambig)
 &rst
  ixpk= 1, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1096,1097,1093,1094,1090,1091,
 &end
#
#   76 MET  HG-          76 MET  HN          4.50    (#      2:10  Unique    4.32, 4.40 A)
 &rst
  ixpk= 2, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1203,1204,
 &end
#
#   76 MET  HB-          76 MET  HN          3.50    (#      3:10  Unique    2.27, 2.43 A)
 &rst
  ixpk= 3, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1200,1201,
 &end
#
#   70 ILE  HG1-         76 MET  HN          5.50    (#      4:10  Unique    2.94, 3.82 A)
 &rst
  ixpk= 4, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1118,1119,
 &end
#
#    0 AMB  10-2:5       76 MET  HN          4.50    (#      5:10  Single Ambig)
 &rst
  ixpk= 5, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1118,1119,1220,1221,
 &end
#
#   75 ALA  MB           76 MET  HN          3.50    (#      6:10  Unique    3.38, 4.01 A)
 &rst
  ixpk= 6, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1190,1191,1192,
 &end
#
#    8 ASN  HB-           9 GLN  HN          4.50    (#      9:10  Unique    2.70, 3.77 A)
 &rst
  ixpk= 9, nxpk= 10, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 109, 110,
 &end
#
#    0 AMB  10-2:10       9 GLN  HN          3.50    (#     10:10  Single Ambig)
 &rst
  ixpk= 10, nxpk= 10, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 126, 127, 126, 127,
 &end
#
#    9 GLN  HB-           9 GLN  HN          3.50    (#     11:10  Unique    2.48, 3.07 A)
 &rst
  ixpk= 11, nxpk= 10, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 123, 124,
 &end
#
#    8 ASN  HB+           9 GLN  HN          4.50    (#     12:10  Unique    2.70, 3.77 A)
 &rst
  ixpk= 12, nxpk= 10, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 109, 110,
 &end
#
#    9 GLN  HB+           9 GLN  HN          3.50    (#     13:10  Unique    2.48, 3.07 A)
 &rst
  ixpk= 13, nxpk= 10, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 123, 124,
 &end
#
#    0 AMB  10-2:14       9 GLN  HN          3.50    (#     14:10  Single Ambig)
 &rst
  ixpk= 14, nxpk= 10, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 884, 885, 884, 885, 140,
 &end
#
#    0 AMB  10-2:15       9 GLN  HN          4.50    (#     15:10  Single Ambig)
 &rst
  ixpk= 15, nxpk= 10, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1330,1331,1330,1331,
 &end
#
#    0 AMB  10-2:16       9 GLN  HN          4.50    (#     16:10  Single Ambig)
 &rst
  ixpk= 16, nxpk= 10, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 146, 147, 149, 150, 151,
 &end
#
#   81 ALA  MB           11 LEU  HN          5.50    (#     18:10  Unique    3.51, 4.62 A)
 &rst
  ixpk= 18, nxpk= 10, iat=  -1, 155, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1292,1293,1294,
 &end
#
#   11 LEU  HB-          11 LEU  HN          4.50    (#     19:10  Unique    2.35, 3.10 A)
 &rst
  ixpk= 19, nxpk= 10, iat=  -1, 155, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 159, 160,
 &end
#
#   50 VAL  MGY          11 LEU  HN          5.50    (#     20:10  Unique    4.38, 5.47 A)
 &rst
  ixpk= 20, nxpk= 10, iat=  -1, 155, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 807, 808, 809, 811, 812, 813,
 &end
#
#   50 VAL  MGX          39 ARG  HN          4.50    (#     21:10  Unique    4.00, 5.58 A)
 &rst
  ixpk= 21, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 807, 808, 809, 811, 812, 813,
 &end
#
#   39 ARG  HB-          39 ARG  HN          3.50    (#     22:10  Unique    2.72, 3.21 A)
 &rst
  ixpk= 22, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 616, 617,
 &end
#
#   39 ARG  HG+          39 ARG  HN          4.50    (#     23:10  Unique    2.92, 4.15 A)
 &rst
  ixpk= 23, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 619, 620,
 &end
#
#   39 ARG  HG-          39 ARG  HN          4.50    (#     24:10  Unique    2.92, 4.15 A)
 &rst
  ixpk= 24, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 619, 620,
 &end
#
#   38 VAL  MGX          39 ARG  HN          3.50    (#     25:10  Unique    2.26, 4.10 A)
 &rst
  ixpk= 25, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 602, 603, 604, 606, 607, 608,
 &end
#
#   38 VAL  MGY          39 ARG  HN          3.50    (#     26:10  Unique    2.26, 4.10 A)
 &rst
  ixpk= 26, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 602, 603, 604, 606, 607, 608,
 &end
#
#   40 LEU  MDY          39 ARG  HN          4.50    (#     27:10  Unique    3.88, 6.53 A)
 &rst
  ixpk= 27, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 645, 646, 647, 649, 650, 651,
 &end
#
#   49 PHE  HB+          39 ARG  HN          5.50    (#     28:10  Unique    3.41, 4.10 A)
 &rst
  ixpk= 28, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 785, 786,
 &end
#
#   49 PHE  HB-          39 ARG  HN          4.50    (#     29:10  Unique    3.41, 4.10 A)
 &rst
  ixpk= 29, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 785, 786,
 &end
#
#   50 VAL  MGY          39 ARG  HN          5.50    (#     30:10  Unique    4.00, 5.58 A)
 &rst
  ixpk= 30, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 807, 808, 809, 811, 812, 813,
 &end
#
#   77 LYS  HB+          78 ILE  HN          4.50    (#     31:10  Unique    2.83, 3.93 A)
 &rst
  ixpk= 31, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1217,1218,
 &end
#
#    0 AMB  10-2:32      78 ILE  HN          3.50    (#     32:10  Single Ambig)
 &rst
  ixpk= 32, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1220,1221,1220,1221,
 &end
#
#   78 ILE  MD1          78 ILE  HN          4.50    (#     33:10  Unique    4.38, 5.03 A)
 &rst
  ixpk= 33, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1248,1249,1250,
 &end
#
#   76 MET  HG+          78 ILE  HN          4.50    (#     34:10  Unique    4.53, 5.37 A)
 &rst
  ixpk= 34, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1203,1204,
 &end
#
#    0 AMB  10-2:35      78 ILE  HN          2.80    (#     35:10  Single Ambig)
 &rst
  ixpk= 35, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1239,1245,1246,
 &end
#
#   78 ILE  HG1+         78 ILE  HN          3.50    (#     36:10  Unique    2.78, 3.42 A)
 &rst
  ixpk= 36, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1245,1246,
 &end
#
#    0 AMB  10-2:37      78 ILE  HN          4.50    (#     37:10  Single Ambig)
 &rst
  ixpk= 37, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1241,1242,1243, 203, 204, 205, 207, 208, 209,
 &end
#
#   38 VAL  HB           39 ARG  HN          4.50    (#     38:10  Unique    2.52, 3.65 A)
 &rst
  ixpk= 38, nxpk= 10, iat= 600, 612, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 LEU  MDY          41 VAL  HN          3.50    (#     39:10  Unique    3.60, 4.93 A)
 &rst
  ixpk= 39, nxpk= 10, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 645, 646, 647, 649, 650, 651,
 &end
#
#   41 VAL  HB           41 VAL  HN          3.50    (#     40:10  Unique    2.38, 2.54 A)
 &rst
  ixpk= 40, nxpk= 10, iat= 659, 655, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   40 LEU  HB+          41 VAL  HN          3.50    (#     41:10  Unique    2.08, 3.03 A)
 &rst
  ixpk= 41, nxpk= 10, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 640, 641,
 &end
#
#   40 LEU  HB-          41 VAL  HN          3.50    (#     42:10  Unique    2.08, 3.03 A)
 &rst
  ixpk= 42, nxpk= 10, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 640, 641,
 &end
#
#    0 AMB  10-2:43      41 VAL  HN          2.80    (#     43:10  Single Ambig)
 &rst
  ixpk= 43, nxpk= 10, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   40 LEU  MDX          41 VAL  HN          3.50    (#     44:10  Unique    3.60, 4.93 A)
 &rst
  ixpk= 44, nxpk= 10, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 645, 646, 647, 649, 650, 651,
 &end
#
#   12 PHE  HB+          12 PHE  HN          3.50    (#     46:10  Unique    2.40, 2.80 A)
 &rst
  ixpk= 46, nxpk= 10, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 178, 179,
 &end
#
#   12 PHE  HB-          12 PHE  HN          4.50    (#     47:10  Unique    2.40, 2.80 A)
 &rst
  ixpk= 47, nxpk= 10, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 178, 179,
 &end
#
#   11 LEU  HB+          12 PHE  HN          4.50    (#     48:10  Unique    2.39, 3.36 A)
 &rst
  ixpk= 48, nxpk= 10, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 159, 160,
 &end
#
#   81 ALA  MB           12 PHE  HN          3.50    (#     49:10  Unique    3.04, 4.44 A)
 &rst
  ixpk= 49, nxpk= 10, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1292,1293,1294,
 &end
#
#   11 LEU  HB-          12 PHE  HN          4.50    (#     50:10  Unique    2.39, 3.36 A)
 &rst
  ixpk= 50, nxpk= 10, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 159, 160,
 &end
#
#   11 LEU  MDX          12 PHE  HN          4.50    (#     51:10  Unique    3.25, 5.13 A)
 &rst
  ixpk= 51, nxpk= 10, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 164, 165, 166, 168, 169, 170,
 &end
#
#    0 AMB  10-2:52      12 PHE  HN          4.50    (#     52:10  Single Ambig)
 &rst
  ixpk= 52, nxpk= 10, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 164, 165, 166, 168, 169, 170,1241,1242,1243,
 &end
#
#    0 AMB  10-2:53      55 GLU  HN          4.50    (#     53:10  Single Ambig)
 &rst
  ixpk= 53, nxpk= 10, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 126, 127, 126, 127, 921, 922, 921, 922,
 &end
#
#   55 GLU  HG-          55 GLU  HN          4.50    (#     54:10  Unique    1.90, 2.85 A)
 &rst
  ixpk= 54, nxpk= 10, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 887, 888,
 &end
#
#    0 AMB  10-2:55      55 GLU  HN          3.50    (#     55:10  Single Ambig)
 &rst
  ixpk= 55, nxpk= 10, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 884, 885, 884, 885,
 &end
#
#   56 LEU  HB-          55 GLU  HN          5.50    (#     56:10  Unique    4.74, 5.54 A)
 &rst
  ixpk= 56, nxpk= 10, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 899, 900,
 &end
#
#   54 THR  MG2          55 GLU  HN          4.50    (#     57:10  Unique    3.23, 4.08 A)
 &rst
  ixpk= 57, nxpk= 10, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 872, 873, 874,
 &end
#
#    0 AMB  10-2:58      79 THR  HN          4.50    (#     58:10  Single Ambig)
 &rst
  ixpk= 58, nxpk= 10, iat=  -1,1254, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 159, 160,1260,1261,1262,1220,1221,1220,1221,
 &end
#
#   78 ILE  HG1+         79 THR  HN          4.50    (#     59:10  Unique    4.33, 4.80 A)
 &rst
  ixpk= 59, nxpk= 10, iat=  -1,1254, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1245,1246,
 &end
#
#    0 AMB  10-2:60      79 THR  HN          3.50    (#     60:10  Single Ambig)
 &rst
  ixpk= 60, nxpk= 10, iat=  -1,1254, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 203, 204, 205, 207, 208, 209, 986, 987,
 &end
#
#    0 AMB  10-2:61      79 THR  HN          3.50    (#     61:10  Single Ambig)
 &rst
  ixpk= 61, nxpk= 10, iat=  -1,1254, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1241,1242,1243, 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  10-2:62      79 THR  HN          4.50    (#     62:10  Single Ambig)
 &rst
  ixpk= 62, nxpk= 10, iat=  -1,1254, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1239,1245,1246,
 &end
#
#   21 ASN  HB+          22 GLU  HN          3.50    (#     63:10  Unique    2.28, 3.70 A)
 &rst
  ixpk= 63, nxpk= 10, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 322, 323,
 &end
#
#   21 ASN  HB-          22 GLU  HN          3.50    (#     64:10  Unique    2.28, 3.70 A)
 &rst
  ixpk= 64, nxpk= 10, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 322, 323,
 &end
#
#    0 AMB  10-2:65      22 GLU  HN          3.50    (#     65:10  Single Ambig)
 &rst
  ixpk= 65, nxpk= 10, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 339, 340, 339, 340,
 &end
#
#   22 GLU  HB+          22 GLU  HN          3.50    (#     66:10  Unique    2.17, 2.41 A)
 &rst
  ixpk= 66, nxpk= 10, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 336, 337,
 &end
#
#   40 LEU  MDX          22 GLU  HN          3.50    (#     67:10  Unique    2.11, 4.04 A)
 &rst
  ixpk= 67, nxpk= 10, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 645, 646, 647, 649, 650, 651,
 &end
#
#   40 LEU  MDY          22 GLU  HN          5.50    (#     68:10  Unique    2.11, 4.04 A)
 &rst
  ixpk= 68, nxpk= 10, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 645, 646, 647, 649, 650, 651,
 &end
#
#    0 AMB  10-2:69      26 SER  HN          5.50    (#     69:10  Single Ambig)
 &rst
  ixpk= 69, nxpk= 10, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 418, 419, 418, 419,
 &end
#
#   38 VAL  MGY          26 SER  HN          4.50    (#     70:10  Unique    2.86, 4.47 A)
 &rst
  ixpk= 70, nxpk= 10, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 602, 603, 604, 606, 607, 608,
 &end
#
#   25 LEU  MDX          26 SER  HN          4.50    (#     71:10  Unique    5.06, 5.77 A)
 &rst
  ixpk= 71, nxpk= 10, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 390, 391, 392, 394, 395, 396,
 &end
#
#    0 AMB  10-2:72      26 SER  HN          4.50    (#     72:10  Single Ambig)
 &rst
  ixpk= 72, nxpk= 10, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 339, 340, 339, 340, 368, 369, 451, 452,
 &end
#
#    0 AMB  10-2:73      26 SER  HN          4.50    (#     73:10  Single Ambig)
 &rst
  ixpk= 73, nxpk= 10, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 600, 351, 352, 336, 337,
 &end
#
#   25 LEU  MDY          26 SER  HN          5.50    (#     74:10  Unique    5.06, 5.77 A)
 &rst
  ixpk= 74, nxpk= 10, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 390, 391, 392, 394, 395, 396,
 &end
#
#   25 LEU  HB-          26 SER  HN          4.50    (#     75:10  Unique    2.68, 3.28 A)
 &rst
  ixpk= 75, nxpk= 10, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 385, 386,
 &end
#
#   38 VAL  MGX          26 SER  HN          3.50    (#     76:10  Unique    2.86, 4.47 A)
 &rst
  ixpk= 76, nxpk= 10, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 602, 603, 604, 606, 607, 608,
 &end
#
#   25 LEU  HG           26 SER  HN          4.50    (#     77:10  Unique    4.32, 4.43 A)
 &rst
  ixpk= 77, nxpk= 10, iat= 388, 400, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 HIS  HB-          46 ASP  HN          5.50    (#     78:10  Unique    3.07, 3.96 A)
 &rst
  ixpk= 78, nxpk= 10, iat=  -1, 740, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 727, 728,
 &end
#
#    0 AMB  10-2:79      46 ASP  HN          5.50    (#     79:10  Single Ambig)
 &rst
  ixpk= 79, nxpk= 10, iat=  -1, 740, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 727, 728, 709, 710,
 &end
#
#   46 ASP  HB+          46 ASP  HN          3.50    (#     80:10  Unique    2.11, 2.99 A)
 &rst
  ixpk= 80, nxpk= 10, iat=  -1, 740, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 744, 745,
 &end
#
#   46 ASP  HB-          46 ASP  HN          3.50    (#     81:10  Unique    2.11, 2.99 A)
 &rst
  ixpk= 81, nxpk= 10, iat=  -1, 740, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 744, 745,
 &end
#
#   44 ARG  HB+          46 ASP  HN          4.50    (#     82:10  Unique    2.42, 3.60 A)
 &rst
  ixpk= 82, nxpk= 10, iat=  -1, 740, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 703, 704,
 &end
#
#   44 ARG  HB-          46 ASP  HN          4.50    (#     83:10  Unique    2.42, 3.60 A)
 &rst
  ixpk= 83, nxpk= 10, iat=  -1, 740, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 703, 704,
 &end
#
#    0 AMB  10-2:84      46 ASP  HN          4.50    (#     84:10  Single Ambig)
 &rst
  ixpk= 84, nxpk= 10, iat=  -1, 740, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 762, 763, 758, 759, 760,
 &end
#
#    0 AMB  10-2:85      46 ASP  HN          4.50    (#     85:10  Single Ambig)
 &rst
  ixpk= 85, nxpk= 10, iat=  -1, 740, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 706, 707, 706, 707,
 &end
#
#   75 ALA  HA           76 MET  HN          2.80    (#     86:10  Unique    2.15, 2.18 A)
 &rst
  ixpk= 86, nxpk= 10, iat=1188,1196, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   76 MET  HA           76 MET  HN          4.50    (#     87:10  Unique    2.79, 2.81 A)
 &rst
  ixpk= 87, nxpk= 10, iat=1198,1196, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    8 ASN  HA            9 GLN  HN          2.80    (#     88:10  Unique    2.25, 2.32 A)
 &rst
  ixpk= 88, nxpk= 10, iat= 107, 119, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:89       9 GLN  HN          5.50    (#     89:10  Single Ambig)
 &rst
  ixpk= 89, nxpk= 10, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 938, 138,
 &end
#
#    9 GLN  HA            9 GLN  HN          3.50    (#     90:10  Unique    2.86, 2.89 A)
 &rst
  ixpk= 90, nxpk= 10, iat= 121, 119, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   10 ILE  HA           11 LEU  HN          2.80    (#     91:10  Unique    2.17, 2.21 A)
 &rst
  ixpk= 91, nxpk= 10, iat= 138, 155, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:92      39 ARG  HN          2.80    (#     92:10  Single Ambig)
 &rst
  ixpk= 92, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 598, 614,
 &end
#
#    0 AMB  10-2:93      78 ILE  HN          2.80    (#     93:10  Single Ambig)
 &rst
  ixpk= 93, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1215,1237,
 &end
#
#   66 GLN  HA           78 ILE  HN          5.50    (#     94:10  Unique    3.78, 3.88 A)
 &rst
  ixpk= 94, nxpk= 10, iat=1044,1235, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ARG  HA           41 VAL  HN          7.00    (#     95:10  Unique    5.97, 6.51 A)
 &rst
  ixpk= 95, nxpk= 10, iat= 701, 655, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   40 LEU  HA           41 VAL  HN          2.80    (#     96:10  Unique    2.20, 2.37 A)
 &rst
  ixpk= 96, nxpk= 10, iat= 638, 655, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   41 VAL  HA           41 VAL  HN          3.50    (#     97:10  Unique    2.90, 2.95 A)
 &rst
  ixpk= 97, nxpk= 10, iat= 657, 655, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 PRO  HD+          41 VAL  HN          5.50    (#     98:10  Unique    3.78, 4.78 A)
 &rst
  ixpk= 98, nxpk= 10, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 672, 673,
 &end
#
#   11 LEU  HA           12 PHE  HN          2.80    (#     99:10  Unique    2.14, 2.23 A)
 &rst
  ixpk= 99, nxpk= 10, iat= 157, 174, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   54 THR  HA           55 GLU  HN          3.50    (#    101:10  Unique    2.12, 2.16 A)
 &rst
  ixpk= 101, nxpk= 10, iat= 868, 880, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 THR  HB           55 GLU  HN          3.50    (#    102:10  Unique    2.63, 2.74 A)
 &rst
  ixpk= 102, nxpk= 10, iat= 870, 880, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 GLU  HA           55 GLU  HN          4.50    (#    103:10  Unique    2.81, 2.83 A)
 &rst
  ixpk= 103, nxpk= 10, iat= 882, 880, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   78 ILE  HA           79 THR  HN          2.80    (#    104:10  Unique    2.17, 2.24 A)
 &rst
  ixpk= 104, nxpk= 10, iat=1237,1254, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   79 THR  HA           79 THR  HN          4.50    (#    105:10  Unique    2.93, 2.96 A)
 &rst
  ixpk= 105, nxpk= 10, iat=1256,1254, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:106     79 THR  HN          3.50    (#    106:10  Single Ambig)
 &rst
  ixpk= 106, nxpk= 10, iat=  -1,1254, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 196, 157,
 &end
#
#   21 ASN  HA           22 GLU  HN          3.50    (#    108:10  Unique    2.35, 2.42 A)
 &rst
  ixpk= 108, nxpk= 10, iat= 320, 332, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 GLU  HA           22 GLU  HN          3.50    (#    109:10  Unique    2.77, 2.80 A)
 &rst
  ixpk= 109, nxpk= 10, iat= 334, 332, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:111     26 SER  HN          3.50    (#    111:10  Single Ambig)
 &rst
  ixpk= 111, nxpk= 10, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 349, 383,
 &end
#
#   26 SER  HB+          26 SER  HN          3.50    (#    112:10  Unique    2.54, 3.09 A)
 &rst
  ixpk= 112, nxpk= 10, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 404, 405,
 &end
#
#   26 SER  HB-          26 SER  HN          3.50    (#    113:10  Unique    2.54, 3.09 A)
 &rst
  ixpk= 113, nxpk= 10, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 404, 405,
 &end
#
#   26 SER  HA           26 SER  HN          3.50    (#    114:10  Unique    2.81, 2.84 A)
 &rst
  ixpk= 114, nxpk= 10, iat= 402, 400, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   46 ASP  HA           46 ASP  HN          3.50    (#    116:10  Unique    2.82, 2.89 A)
 &rst
  ixpk= 116, nxpk= 10, iat= 742, 740, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   10 ILE  HN            9 GLN  HN          3.50    (#    117:10  Unique    2.58, 3.01 A)
 &rst
  ixpk= 117, nxpk= 10, iat= 136, 119, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   10 ILE  HN           11 LEU  HN          5.50    (#    118:10  Unique    4.08, 4.20 A)
 &rst
  ixpk= 118, nxpk= 10, iat= 136, 155, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 VAL  HN           11 LEU  HN          4.50    (#    119:10  Unique    2.66, 2.74 A)
 &rst
  ixpk= 119, nxpk= 10, iat= 801, 155, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:120     78 ILE  HN          4.50    (#    120:10  Single Ambig)
 &rst
  ixpk= 120, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1059, 213,
 &end
#
#   66 GLN  HE2+         78 ILE  HN          3.50    (#    121:10  Unique    2.24, 3.15 A)
 &rst
  ixpk= 121, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1054,1055,
 &end
#
#   66 GLN  HE2-         78 ILE  HN          4.50    (#    122:10  Unique    2.24, 3.15 A)
 &rst
  ixpk= 122, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1054,1055,
 &end
#
#   79 THR  HN           78 ILE  HN          5.50    (#    123:10  Unique    4.26, 4.38 A)
 &rst
  ixpk= 123, nxpk= 10, iat=1254,1235, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 LEU  HN           41 VAL  HN          4.50    (#    124:10  Unique    4.45, 4.52 A)
 &rst
  ixpk= 124, nxpk= 10, iat= 636, 655, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:125     12 PHE  HN          4.50    (#    125:10  Single Ambig)
 &rst
  ixpk= 125, nxpk= 10, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1288,1268, 801,
 &end
#
#   79 THR  HN           12 PHE  HN          4.50    (#    126:10  Unique    2.80, 2.88 A)
 &rst
  ixpk= 126, nxpk= 10, iat=1254, 174, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 LEU  HN           55 GLU  HN          4.50    (#    127:10  Unique    2.68, 2.72 A)
 &rst
  ixpk= 127, nxpk= 10, iat= 895, 880, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 MET  HN           22 GLU  HN          3.50    (#    128:10  Unique    2.71, 2.78 A)
 &rst
  ixpk= 128, nxpk= 10, iat= 347, 332, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   75 ALA  HN           76 MET  HN          5.50    (#    129:10  Unique    4.45, 4.49 A)
 &rst
  ixpk= 129, nxpk= 10, iat=1186,1196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 PHE  HN           76 MET  HN          5.50    (#    130:10  Unique    3.41, 3.56 A)
 &rst
  ixpk= 130, nxpk= 10, iat=1066,1196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   70 ILE  HN           76 MET  HN          3.50    (#    131:10  Unique    3.05, 3.10 A)
 &rst
  ixpk= 131, nxpk= 10, iat=1108,1196, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:133     39 ARG  HN          4.50    (#    133:10  Single Ambig)
 &rst
  ixpk= 133, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 636, 596,
 &end
#
#   14 THR  HN           79 THR  HN          5.50    (#    134:10  Unique    5.04, 5.29 A)
 &rst
  ixpk= 134, nxpk= 10, iat= 213,1254, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   24 MET  HN           26 SER  HN          5.50    (#    135:10  Unique    3.84, 3.93 A)
 &rst
  ixpk= 135, nxpk= 10, iat= 364, 400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 MET  HN           26 SER  HN          3.50    (#    136:10  Unique    2.69, 2.83 A)
 &rst
  ixpk= 136, nxpk= 10, iat= 411, 400, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 GLU  HN           39 ARG  HN          5.50    (#    137:10  Unique    5.18, 5.41 A)
 &rst
  ixpk= 137, nxpk= 10, iat= 817, 612, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 PHE  HN           39 ARG  HN          3.50    (#    138:10  Unique    2.67, 2.85 A)
 &rst
  ixpk= 138, nxpk= 10, iat= 781, 612, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 PHE  HD           13 LEU  HN          3.50    (#    139:10  Unique    2.51, 3.86 A)
 &rst
  ixpk= 139, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 182, 190,
 &end
#
#   49 PHE  HA           13 LEU  HN          5.50    (#    140:10  Unique    3.06, 3.18 A)
 &rst
  ixpk= 140, nxpk= 10, iat= 783, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   37 GLU  HN           51 GLU  HN          3.50    (#    141:10  Unique    2.59, 2.66 A)
 &rst
  ixpk= 141, nxpk= 10, iat= 581, 817, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 ASN  HN            9 GLN  HN          5.50    (#    142:10  Unique    4.27, 4.33 A)
 &rst
  ixpk= 142, nxpk= 10, iat= 105, 119, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 PHE  HD           12 PHE  HN          5.50    (#    143:10  Unique    4.74, 4.84 A)
 &rst
  ixpk= 143, nxpk= 10, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 182, 190,
 &end
#
#   37 GLU  HN           38 VAL  HN          5.50    (#    144:10  Unique    4.40, 4.45 A)
 &rst
  ixpk= 144, nxpk= 10, iat= 581, 596, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 PHE  HA           50 VAL  HN          3.50    (#    145:10  Unique    2.28, 2.33 A)
 &rst
  ixpk= 145, nxpk= 10, iat= 783, 801, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 PHE  HA           49 PHE  HN          4.50    (#    146:10  Unique    2.95, 2.96 A)
 &rst
  ixpk= 146, nxpk= 10, iat= 783, 781, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   48 ALA  HN           13 LEU  HN          4.50    (#    147:10  Unique    2.68, 2.78 A)
 &rst
  ixpk= 147, nxpk= 10, iat= 771, 194, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   52 PHE  HD           52 PHE  HN          4.50    (#    148:10  Unique    2.88, 4.37 A)
 &rst
  ixpk= 148, nxpk= 10, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 840, 848,
 &end
#
#    8 ASN  HD2+         81 ALA  HN          4.50    (#    150:10  Unique    2.11, 3.37 A)
 &rst
  ixpk= 150, nxpk= 10, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 114, 115,
 &end
#
#   35 PHE  HE           38 VAL  HN          4.50    (#    151:10  Unique    3.95, 5.30 A)
 &rst
  ixpk= 151, nxpk= 10, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 549, 553,
 &end
#
#   35 PHE  HZ           38 VAL  HN          4.50    (#    152:10  Unique    3.65, 4.26 A)
 &rst
  ixpk= 152, nxpk= 10, iat= 551, 596, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   80 PHE  HD           80 PHE  HN          4.50    (#    153:10  Unique    2.90, 3.80 A)
 &rst
  ixpk= 153, nxpk= 10, iat=  -1,1268, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1276,1284,
 &end
#
#   49 PHE  HD           50 VAL  HN          4.50    (#    154:10  Unique    3.60, 4.78 A)
 &rst
  ixpk= 154, nxpk= 10, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 789, 797,
 &end
#
#   16 LEU  HN           15 ASN  HN          3.50    (#    155:10  Unique    2.73, 2.78 A)
 &rst
  ixpk= 155, nxpk= 10, iat= 241, 227, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 PHE  HD           49 PHE  HN          3.50    (#    156:10  Unique    2.92, 4.25 A)
 &rst
  ixpk= 156, nxpk= 10, iat=  -1, 781, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 789, 797,
 &end
#
#   54 THR  HN           53 THR  HN          3.50    (#    157:10  Unique    2.71, 2.75 A)
 &rst
  ixpk= 157, nxpk= 10, iat= 866, 852, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   52 PHE  HD           53 THR  HN          4.50    (#    158:10  Unique    2.80, 4.20 A)
 &rst
  ixpk= 158, nxpk= 10, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 840, 848,
 &end
#
#   20 THR  HN           19 GLU  HN          4.50    (#    159:10  Unique    2.67, 2.79 A)
 &rst
  ixpk= 159, nxpk= 10, iat= 304, 289, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 ARG  HN           43 ASN  HN          3.50    (#    160:10  Unique    1.77, 2.21 A)
 &rst
  ixpk= 160, nxpk= 10, iat= 699, 685, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 PHE  HN           34 GLY  HN          4.50    (#    161:10  Unique    2.00, 2.22 A)
 &rst
  ixpk= 161, nxpk= 10, iat= 539, 532, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 LEU  HN           26 SER  HN          4.50    (#    162:10  Unique    4.11, 4.15 A)
 &rst
  ixpk= 162, nxpk= 10, iat= 428, 400, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 LEU  HN           26 SER  HN          3.50    (#    163:10  Unique    2.60, 2.63 A)
 &rst
  ixpk= 163, nxpk= 10, iat= 381, 400, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 ILE  HN           46 ASP  HN          3.50    (#    164:10  Unique    1.79, 2.45 A)
 &rst
  ixpk= 164, nxpk= 10, iat= 752, 740, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 PHE  HN           81 ALA  HN          4.50    (#    165:10  Unique    3.40, 3.63 A)
 &rst
  ixpk= 165, nxpk= 10, iat= 174,1288, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 ARG  HN           40 LEU  HN          5.50    (#    166:10  Unique    3.74, 4.05 A)
 &rst
  ixpk= 166, nxpk= 10, iat= 612, 636, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 VAL  HN           40 LEU  HN          4.50    (#    167:10  Unique    4.45, 4.52 A)
 &rst
  ixpk= 167, nxpk= 10, iat= 655, 636, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 ARG  HN           38 VAL  HN          4.50    (#    168:10  Unique    4.26, 4.35 A)
 &rst
  ixpk= 168, nxpk= 10, iat= 612, 596, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 LEU  HN           50 VAL  HN          4.50    (#    169:10  Unique    2.66, 2.74 A)
 &rst
  ixpk= 169, nxpk= 10, iat= 155, 801, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 ARG  HN           49 PHE  HN          4.50    (#    170:10  Unique    2.67, 2.85 A)
 &rst
  ixpk= 170, nxpk= 10, iat= 612, 781, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:171     79 THR  HN          3.50    (#    171:10  Single Ambig)
 &rst
  ixpk= 171, nxpk= 10, iat=  -1,1254, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 174,1235,
 &end
#
#    0 AMB  10-2:172     51 GLU  HN          4.50    (#    172:10  Single Ambig)
 &rst
  ixpk= 172, nxpk= 10, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 832, 596,
 &end
#
#   82 LYS  HN           81 ALA  HN          5.50    (#    173:10  Unique    4.61, 4.64 A)
 &rst
  ixpk= 173, nxpk= 10, iat=1298,1288, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 PHE  HN           53 THR  HN          4.50    (#    174:10  Unique    4.36, 4.39 A)
 &rst
  ixpk= 174, nxpk= 10, iat= 832, 852, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 ARG  HN           51 GLU  HN          5.50    (#    175:10  Unique    5.18, 5.41 A)
 &rst
  ixpk= 175, nxpk= 10, iat= 612, 817, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 ASP  HN           44 ARG  HE          5.50    (#    176:10  Unique    2.98, 3.71 A)
 &rst
  ixpk= 176, nxpk= 10, iat= 740, 712, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 PHE  HN           13 LEU  HN          5.50    (#    177:10  Unique    4.27, 4.35 A)
 &rst
  ixpk= 177, nxpk= 10, iat= 174, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   80 PHE  HN            5 GLN  HN          5.50    (#    178:10  Unique    3.21, 4.10 A)
 &rst
  ixpk= 178, nxpk= 10, iat=1268,  60, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   76 MET  HN           68 PHE  HN          5.50    (#    179:10  Unique    3.41, 3.56 A)
 &rst
  ixpk= 179, nxpk= 10, iat=1196,1066, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 SER  HN           23 MET  HN          5.50    (#    180:10  Unique    4.54, 4.63 A)
 &rst
  ixpk= 180, nxpk= 10, iat= 400, 347, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 SER  HN           24 MET  HN          5.50    (#    181:10  Unique    3.84, 3.93 A)
 &rst
  ixpk= 181, nxpk= 10, iat= 400, 364, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   79 THR  HN           14 THR  HN          5.50    (#    182:10  Unique    5.04, 5.29 A)
 &rst
  ixpk= 182, nxpk= 10, iat=1254, 213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LEU  HN           14 THR  HN          4.50    (#    183:10  Unique    4.37, 4.42 A)
 &rst
  ixpk= 183, nxpk= 10, iat= 194, 213, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 GLU  HN           52 PHE  HN          4.50    (#    184:10  Unique    4.30, 4.37 A)
 &rst
  ixpk= 184, nxpk= 10, iat= 817, 832, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 GLU  HN           38 VAL  HN          5.50    (#    185:10  Unique    4.71, 4.87 A)
 &rst
  ixpk= 185, nxpk= 10, iat= 817, 596, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   77 LYS  HN           14 THR  HN          3.50    (#    186:10  Unique    2.83, 2.91 A)
 &rst
  ixpk= 186, nxpk= 10, iat=1213, 213, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 PHE  HA           13 LEU  HN          2.80    (#    187:10  Unique    2.18, 2.22 A)
 &rst
  ixpk= 187, nxpk= 10, iat= 176, 194, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   51 GLU  HA           51 GLU  HN          4.50    (#    188:10  Unique    2.97, 2.98 A)
 &rst
  ixpk= 188, nxpk= 10, iat= 819, 817, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 VAL  HA           51 GLU  HN          2.80    (#    189:10  Unique    2.26, 2.30 A)
 &rst
  ixpk= 189, nxpk= 10, iat= 803, 817, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    2 GLN  HA            1 ALA  HN          4.50    (#    193:10  Unique    4.38, 7.81 A)
 &rst
  ixpk= 193, nxpk= 10, iat=  16,   2, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    1 ALA  HA            1 ALA  HN          5.50    (#    194:10  Unique    1.61, 7.02 A)
 &rst
  ixpk= 194, nxpk= 10, iat=   6,   2, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:195     52 PHE  HN          2.80    (#    195:10  Single Ambig)
 &rst
  ixpk= 195, nxpk= 10, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 819, 834,
 &end
#
#   82 LYS  HA           83 LYS  HN          2.80    (#    197:10  Unique    2.23, 2.47 A)
 &rst
  ixpk= 197, nxpk= 10, iat=1300,1320, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   80 PHE  HA           81 ALA  HN          3.50    (#    198:10  Unique    2.21, 2.25 A)
 &rst
  ixpk= 198, nxpk= 10, iat=1270,1288, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   81 ALA  HA           81 ALA  HN          4.50    (#    199:10  Unique    2.89, 2.91 A)
 &rst
  ixpk= 199, nxpk= 10, iat=1290,1288, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 GLN  HA            4 GLU  HN          5.50    (#    204:10  Unique    4.49, 5.23 A)
 &rst
  ixpk= 204, nxpk= 10, iat=  62,  45, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    3 THR  HA            4 GLU  HN          3.50    (#    205:10  Unique    2.20, 2.46 A)
 &rst
  ixpk= 205, nxpk= 10, iat=  33,  45, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    3 THR  HB            4 GLU  HN          4.50    (#    206:10  Unique    2.02, 3.45 A)
 &rst
  ixpk= 206, nxpk= 10, iat=  35,  45, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 GLN  HA            5 GLN  HN          3.50    (#    208:10  Unique    2.83, 2.92 A)
 &rst
  ixpk= 208, nxpk= 10, iat=  62,  60, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 PRO  HD+           5 GLN  HN          4.50    (#    209:10  Unique    4.70, 4.87 A)
 &rst
  ixpk= 209, nxpk= 10, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  78,  79,
 &end
#
#    4 GLU  HA            5 GLN  HN          2.80    (#    210:10  Unique    2.26, 2.37 A)
 &rst
  ixpk= 210, nxpk= 10, iat=  47,  60, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   39 ARG  HA           40 LEU  HN          2.80    (#    211:10  Unique    2.18, 2.23 A)
 &rst
  ixpk= 211, nxpk= 10, iat= 614, 636, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   40 LEU  HA           40 LEU  HN          3.50    (#    212:10  Unique    2.91, 2.96 A)
 &rst
  ixpk= 212, nxpk= 10, iat= 638, 636, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:213      0 AMB  10-1:213    5.50    (#    213:10  Double Ambig)
 &rst
  ixpk= 213, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 773,1258,
 igr2= 636,1298,
 &end
#
#   65 LEU  HA           68 PHE  HN          4.50    (#    214:10  Unique    3.63, 3.74 A)
 &rst
  ixpk= 214, nxpk= 10, iat=1025,1066, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:216     68 PHE  HN          5.50    (#    216:10  Single Ambig)
 &rst
  ixpk= 216, nxpk= 10, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1188,1088,
 &end
#
#   68 PHE  HA           68 PHE  HN          3.50    (#    218:10  Unique    2.84, 2.86 A)
 &rst
  ixpk= 218, nxpk= 10, iat=1068,1066, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 GLN  HA           68 PHE  HN          4.50    (#    219:10  Unique    3.44, 3.57 A)
 &rst
  ixpk= 219, nxpk= 10, iat=1044,1066, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 GLY  HA-          68 PHE  HN          4.50    (#    220:10  Unique    3.26, 3.38 A)
 &rst
  ixpk= 220, nxpk= 10, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1061,1062,
 &end
#
#   76 MET  HA           68 PHE  HN          7.00    (#    221:10  Unique    5.17, 5.29 A)
 &rst
  ixpk= 221, nxpk= 10, iat=1198,1066, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   23 MET  HA           23 MET  HN          3.50    (#    222:10  Unique    2.82, 2.86 A)
 &rst
  ixpk= 222, nxpk= 10, iat= 349, 347, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 GLU  HA           23 MET  HN          4.50    (#    223:10  Unique    3.52, 3.55 A)
 &rst
  ixpk= 223, nxpk= 10, iat= 334, 347, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 VAL  HA           38 VAL  HN          3.50    (#    225:10  Unique    2.88, 2.95 A)
 &rst
  ixpk= 225, nxpk= 10, iat= 598, 596, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   37 GLU  HA           38 VAL  HN          2.80    (#    226:10  Unique    2.33, 2.43 A)
 &rst
  ixpk= 226, nxpk= 10, iat= 583, 596, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   17 PRO  HA           18 GLU  HN          2.80    (#    228:10  Unique    2.26, 2.33 A)
 &rst
  ixpk= 228, nxpk= 10, iat= 270, 274, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   18 GLU  HA           18 GLU  HN          3.50    (#    229:10  Unique    2.79, 2.84 A)
 &rst
  ixpk= 229, nxpk= 10, iat= 276, 274, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   80 PHE  HA           80 PHE  HN          3.50    (#    230:10  Unique    2.89, 2.93 A)
 &rst
  ixpk= 230, nxpk= 10, iat=1270,1268, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   79 THR  HA           80 PHE  HN          2.80    (#    231:10  Unique    2.28, 2.37 A)
 &rst
  ixpk= 231, nxpk= 10, iat=1256,1268, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    1 ALA  HA            2 GLN  HN          4.50    (#    232:10  Unique    2.20, 2.91 A)
 &rst
  ixpk= 232, nxpk= 10, iat=   6,  14, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   10 ILE  HA           50 VAL  HN          4.50    (#    236:10  Unique    4.27, 4.41 A)
 &rst
  ixpk= 236, nxpk= 10, iat= 138, 801, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 VAL  HA           50 VAL  HN          5.50    (#    237:10  Unique    2.96, 2.97 A)
 &rst
  ixpk= 237, nxpk= 10, iat= 803, 801, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 GLU  HA           24 MET  HN          5.50    (#    238:10  Unique    4.11, 4.27 A)
 &rst
  ixpk= 238, nxpk= 10, iat= 334, 364, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:239     24 MET  HN          4.50    (#    239:10  Single Ambig)
 &rst
  ixpk= 239, nxpk= 10, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 349, 383,
 &end
#
#   24 MET  HA           24 MET  HN          3.50    (#    240:10  Unique    2.84, 2.88 A)
 &rst
  ixpk= 240, nxpk= 10, iat= 366, 364, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   67 GLY  HA+          67 GLY  HN          3.50    (#    242:10  Unique    2.27, 2.61 A)
 &rst
  ixpk= 242, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1061,1062,
 &end
#
#   66 GLN  HA           67 GLY  HN          2.80    (#    244:10  Unique    2.16, 2.18 A)
 &rst
  ixpk= 244, nxpk= 10, iat=1044,1059, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   67 GLY  HA-          67 GLY  HN          3.50    (#    245:10  Unique    2.27, 2.61 A)
 &rst
  ixpk= 245, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1061,1062,
 &end
#
#   26 SER  HA           30 ASN  HN          4.50    (#    246:10  Unique    3.85, 3.94 A)
 &rst
  ixpk= 246, nxpk= 10, iat= 402, 467, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 PHE  HA           30 ASN  HN          4.50    (#    247:10  Unique    3.44, 3.46 A)
 &rst
  ixpk= 247, nxpk= 10, iat= 449, 467, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 ASN  HA           30 ASN  HN          2.80    (#    248:10  Unique    2.78, 2.80 A)
 &rst
  ixpk= 248, nxpk= 10, iat= 469, 467, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   14 THR  HA           15 ASN  HN          3.50    (#    249:10  Unique    2.38, 2.42 A)
 &rst
  ixpk= 249, nxpk= 10, iat= 215, 227, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   14 THR  HB           15 ASN  HN          3.50    (#    250:10  Unique    2.32, 2.39 A)
 &rst
  ixpk= 250, nxpk= 10, iat= 217, 227, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:251      0 AMB  10-1:251    2.80    (#    251:10  Double Ambig)
 &rst
  ixpk= 251, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 229, 773,
 igr2= 227, 781,
 &end
#
#    0 AMB  10-2:252     49 PHE  HN          4.50    (#    252:10  Single Ambig)
 &rst
  ixpk= 252, nxpk= 10, iat=  -1, 781, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 598, 614,
 &end
#
#    0 AMB  10-2:253      0 AMB  10-1:253    4.50    (#    253:10  Double Ambig)
 &rst
  ixpk= 253, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 638, 742,
 igr2= 781, 227,
 &end
#
#   52 PHE  HA           53 THR  HN          3.50    (#    254:10  Unique    2.20, 2.26 A)
 &rst
  ixpk= 254, nxpk= 10, iat= 834, 852, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 THR  HB           53 THR  HN          3.50    (#    255:10  Unique    2.17, 2.21 A)
 &rst
  ixpk= 255, nxpk= 10, iat= 856, 852, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 THR  HA           53 THR  HN          3.50    (#    256:10  Unique    2.82, 2.84 A)
 &rst
  ixpk= 256, nxpk= 10, iat= 854, 852, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 GLU  HA           19 GLU  HN          2.80    (#    258:10  Unique    2.83, 2.84 A)
 &rst
  ixpk= 258, nxpk= 10, iat= 291, 289, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   17 PRO  HA           19 GLU  HN          5.50    (#    259:10  Unique    3.85, 3.96 A)
 &rst
  ixpk= 259, nxpk= 10, iat= 270, 289, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 PRO  HD+          19 GLU  HN          5.50    (#    260:10  Unique    5.34, 5.75 A)
 &rst
  ixpk= 260, nxpk= 10, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 261, 262,
 &end
#
#   43 ASN  HA           43 ASN  HN          2.80    (#    262:10  Unique    2.17, 2.65 A)
 &rst
  ixpk= 262, nxpk= 10, iat= 687, 685, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   42 PRO  HA           43 ASN  HN          2.80    (#    263:10  Unique    2.08, 2.59 A)
 &rst
  ixpk= 263, nxpk= 10, iat= 681, 685, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   34 GLY  HA-          34 GLY  HN          3.50    (#    265:10  Unique    2.44, 2.74 A)
 &rst
  ixpk= 265, nxpk= 10, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 534, 535,
 &end
#
#   33 PRO  HA           34 GLY  HN          3.50    (#    266:10  Unique    3.26, 3.43 A)
 &rst
  ixpk= 266, nxpk= 10, iat= 528, 532, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 PHE  HB+          34 GLY  HN          3.50    (#    267:10  Unique    3.02, 3.36 A)
 &rst
  ixpk= 267, nxpk= 10, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 502, 503,
 &end
#
#   13 LEU  HA           14 THR  HN          2.80    (#    269:10  Unique    2.18, 2.23 A)
 &rst
  ixpk= 269, nxpk= 10, iat= 196, 213, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:270     14 THR  HN          4.50    (#    270:10  Single Ambig)
 &rst
  ixpk= 270, nxpk= 10, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1237,1215,
 &end
#
#   14 THR  HB           14 THR  HN          4.50    (#    272:10  Unique    3.69, 3.79 A)
 &rst
  ixpk= 272, nxpk= 10, iat= 217, 213, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:273     52 PHE  HN          3.50    (#    273:10  Single Ambig)
 &rst
  ixpk= 273, nxpk= 10, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 836, 837, 836, 837,
 &end
#
#    0 AMB  10-2:274     52 PHE  HN          4.50    (#    274:10  Single Ambig)
 &rst
  ixpk= 274, nxpk= 10, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 126, 127, 126, 127,
 &end
#
#    0 AMB  10-2:275     81 ALA  HN          3.50    (#    275:10  Single Ambig)
 &rst
  ixpk= 275, nxpk= 10, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1272,1273, 109, 110,
 &end
#
#   80 PHE  HB+          80 PHE  HN          4.50    (#    276:10  Unique    2.26, 2.97 A)
 &rst
  ixpk= 276, nxpk= 10, iat=  -1,1268, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1272,1273,
 &end
#
#   80 PHE  HB-          80 PHE  HN          4.50    (#    277:10  Unique    2.26, 2.97 A)
 &rst
  ixpk= 277, nxpk= 10, iat=  -1,1268, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1272,1273,
 &end
#
#   49 PHE  HB+          50 VAL  HN          3.50    (#    278:10  Unique    2.52, 3.22 A)
 &rst
  ixpk= 278, nxpk= 10, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 785, 786,
 &end
#
#   15 ASN  HB-          15 ASN  HN          4.50    (#    279:10  Unique    3.01, 3.36 A)
 &rst
  ixpk= 279, nxpk= 10, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 231, 232,
 &end
#
#   49 PHE  HB+          49 PHE  HN          4.50    (#    280:10  Unique    2.61, 3.24 A)
 &rst
  ixpk= 280, nxpk= 10, iat=  -1, 781, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 785, 786,
 &end
#
#   49 PHE  HB-          49 PHE  HN          3.50    (#    281:10  Unique    2.61, 3.24 A)
 &rst
  ixpk= 281, nxpk= 10, iat=  -1, 781, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 785, 786,
 &end
#
#    0 AMB  10-2:282     53 THR  HN          3.50    (#    282:10  Single Ambig)
 &rst
  ixpk= 282, nxpk= 10, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 836, 837, 836, 837,
 &end
#
#   43 ASN  HB-          43 ASN  HN          3.50    (#    283:10  Unique    2.79, 3.33 A)
 &rst
  ixpk= 283, nxpk= 10, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 689, 690,
 &end
#
#    0 AMB  10-2:284     34 GLY  HN          4.50    (#    284:10  Single Ambig)
 &rst
  ixpk= 284, nxpk= 10, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 525, 526, 918, 919,
 &end
#
#   13 LEU  HB-          13 LEU  HN          5.50    (#    285:10  Unique    2.36, 2.91 A)
 &rst
  ixpk= 285, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 198, 199,
 &end
#
#   13 LEU  HB+          13 LEU  HN          3.50    (#    286:10  Unique    2.36, 2.91 A)
 &rst
  ixpk= 286, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 198, 199,
 &end
#
#   13 LEU  MDX          13 LEU  HN          3.50    (#    287:10  Unique    3.43, 4.76 A)
 &rst
  ixpk= 287, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  10-2:288     51 GLU  HN          2.80    (#    288:10  Single Ambig)
 &rst
  ixpk= 288, nxpk= 10, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 821, 822, 821, 822,
 &end
#
#   50 VAL  MGY          51 GLU  HN          3.50    (#    289:10  Unique    2.49, 4.07 A)
 &rst
  ixpk= 289, nxpk= 10, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 807, 808, 809, 811, 812, 813,
 &end
#
#   50 VAL  MGX          51 GLU  HN          4.50    (#    290:10  Unique    2.49, 4.07 A)
 &rst
  ixpk= 290, nxpk= 10, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 807, 808, 809, 811, 812, 813,
 &end
#
#   51 GLU  HG+          52 PHE  HN          3.50    (#    291:10  Unique    2.44, 2.73 A)
 &rst
  ixpk= 291, nxpk= 10, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 824, 825,
 &end
#
#    0 AMB  10-2:292     83 LYS  HN          4.50    (#    292:10  Single Ambig)
 &rst
  ixpk= 292, nxpk= 10, iat=  -1,1320, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1302,1303,1302,1303,
 &end
#
#    0 AMB  10-2:293     83 LYS  HN          3.50    (#    293:10  Single Ambig)
 &rst
  ixpk= 293, nxpk= 10, iat=  -1,1320, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1327,1328,1327,1328,
 &end
#
#   11 LEU  MDY          81 ALA  HN          4.50    (#    294:10  Unique    3.08, 5.58 A)
 &rst
  ixpk= 294, nxpk= 10, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 164, 165, 166, 168, 169, 170,
 &end
#
#   81 ALA  MB           81 ALA  HN          2.80    (#    295:10  Unique    2.48, 2.95 A)
 &rst
  ixpk= 295, nxpk= 10, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1292,1293,1294,
 &end
#
#    0 AMB  10-2:296      5 GLN  HN          2.80    (#    296:10  Single Ambig)
 &rst
  ixpk= 296, nxpk= 10, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  49,  50,  64,  65,
 &end
#
#    0 AMB  10-2:297      0 AMB  10-1:297    2.80    (#    297:10  Double Ambig)
 &rst
  ixpk= 297, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1=1302,1303,1302,1303, 643,
 igr2=1298, 636,
 &end
#
#   39 ARG  HG+          40 LEU  HN          4.50    (#    298:10  Unique    2.77, 4.55 A)
 &rst
  ixpk= 298, nxpk= 10, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 619, 620,
 &end
#
#   40 LEU  MDY          40 LEU  HN          3.50    (#    299:10  Unique    3.32, 4.62 A)
 &rst
  ixpk= 299, nxpk= 10, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 645, 646, 647, 649, 650, 651,
 &end
#
#   40 LEU  MDX          40 LEU  HN          3.50    (#    300:10  Unique    3.32, 4.62 A)
 &rst
  ixpk= 300, nxpk= 10, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 645, 646, 647, 649, 650, 651,
 &end
#
#    0 AMB  10-2:301      0 AMB  10-1:301    2.80    (#    301:10  Double Ambig)
 &rst
  ixpk= 301, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1=1292,1293,1294,1305,1306, 619, 620,1327,1328,1327,
      1328,
 igr2=1298, 636,
 &end
#
#   38 VAL  MGY          38 VAL  HN          3.50    (#    302:10  Unique    2.76, 4.15 A)
 &rst
  ixpk= 302, nxpk= 10, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  10-2:303     38 VAL  HN          2.80    (#    303:10  Single Ambig)
 &rst
  ixpk= 303, nxpk= 10, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 588, 589, 585, 586,
 &end
#
#   38 VAL  MGX          38 VAL  HN          3.50    (#    304:10  Unique    2.76, 4.15 A)
 &rst
  ixpk= 304, nxpk= 10, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 602, 603, 604, 606, 607, 608,
 &end
#
#   50 VAL  MGY          38 VAL  HN          5.50    (#    305:10  Unique    5.00, 6.45 A)
 &rst
  ixpk= 305, nxpk= 10, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 807, 808, 809, 811, 812, 813,
 &end
#
#    0 AMB  10-2:306     18 GLU  HN          2.80    (#    306:10  Single Ambig)
 &rst
  ixpk= 306, nxpk= 10, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 278, 279, 278, 279,
 &end
#
#    0 AMB  10-2:307     18 GLU  HN          3.50    (#    307:10  Single Ambig)
 &rst
  ixpk= 307, nxpk= 10, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 281, 282, 281, 282,
 &end
#
#   17 PRO  HB+          18 GLU  HN          4.50    (#    308:10  Unique    3.11, 3.55 A)
 &rst
  ixpk= 308, nxpk= 10, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 267, 268,
 &end
#
#   17 PRO  HB-          18 GLU  HN          4.50    (#    309:10  Unique    3.11, 3.55 A)
 &rst
  ixpk= 309, nxpk= 10, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 267, 268,
 &end
#
#   79 THR  MG2          80 PHE  HN          4.50    (#    310:10  Unique    2.36, 3.58 A)
 &rst
  ixpk= 310, nxpk= 10, iat=  -1,1268, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1260,1261,1262,
 &end
#
#   50 VAL  HB           50 VAL  HN          3.50    (#    311:10  Unique    2.67, 2.72 A)
 &rst
  ixpk= 311, nxpk= 10, iat= 805, 801, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   50 VAL  MGX          50 VAL  HN          3.50    (#    312:10  Unique    3.00, 4.27 A)
 &rst
  ixpk= 312, nxpk= 10, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 807, 808, 809, 811, 812, 813,
 &end
#
#    0 AMB  10-2:313     50 VAL  HN          3.50    (#    313:10  Single Ambig)
 &rst
  ixpk= 313, nxpk= 10, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 142, 143, 144, 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  10-2:314     50 VAL  HN          4.50    (#    314:10  Single Ambig)
 &rst
  ixpk= 314, nxpk= 10, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 203, 204, 205, 207, 208, 209, 146, 147,
 &end
#
#   14 THR  MG2          15 ASN  HN          4.50    (#    315:10  Unique    3.77, 4.45 A)
 &rst
  ixpk= 315, nxpk= 10, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 219, 220, 221,
 &end
#
#    0 AMB  10-2:316      0 AMB  10-1:316    3.50    (#    316:10  Double Ambig)
 &rst
  ixpk= 316, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 758, 759, 760, 645, 646, 647, 649, 650, 651,
 igr2= 227, 781,
 &end
#
#   48 ALA  MB           49 PHE  HN          3.50    (#    317:10  Unique    2.20, 3.13 A)
 &rst
  ixpk= 317, nxpk= 10, iat=  -1, 781, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 775, 776, 777,
 &end
#
#   41 VAL  MGX          49 PHE  HN          5.50    (#    318:10  Unique    4.07, 6.89 A)
 &rst
  ixpk= 318, nxpk= 10, iat=  -1, 781, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 661, 662, 663, 665, 666, 667,
 &end
#
#    0 AMB  10-2:319     53 THR  HN          4.50    (#    319:10  Single Ambig)
 &rst
  ixpk= 319, nxpk= 10, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 563, 564, 858, 859, 860,
 &end
#
#    0 AMB  10-2:320     53 THR  HN          5.50    (#    320:10  Single Ambig)
 &rst
  ixpk= 320, nxpk= 10, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 566, 567, 569, 570,
 &end
#
#    0 AMB  10-2:321     19 GLU  HN          2.80    (#    321:10  Single Ambig)
 &rst
  ixpk= 321, nxpk= 10, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 296, 297, 296, 297,
 &end
#
#   19 GLU  HB-          19 GLU  HN          3.50    (#    322:10  Unique    2.40, 3.00 A)
 &rst
  ixpk= 322, nxpk= 10, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 293, 294,
 &end
#
#    0 AMB  10-2:323     19 GLU  HN          3.50    (#    323:10  Single Ambig)
 &rst
  ixpk= 323, nxpk= 10, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 278, 279, 278, 279,
 &end
#
#   42 PRO  HB-          43 ASN  HN          4.50    (#    324:10  Unique    3.10, 4.26 A)
 &rst
  ixpk= 324, nxpk= 10, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 678, 679,
 &end
#
#   42 PRO  HB+          43 ASN  HN          4.50    (#    325:10  Unique    3.10, 4.26 A)
 &rst
  ixpk= 325, nxpk= 10, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 678, 679,
 &end
#
#    5 GLN  HG+           5 GLN  HN          4.50    (#    326:10  Unique    3.30, 4.09 A)
 &rst
  ixpk= 326, nxpk= 10, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  67,  68,
 &end
#
#    0 AMB  10-2:327      5 GLN  HN          4.50    (#    327:10  Single Ambig)
 &rst
  ixpk= 327, nxpk= 10, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  67,  68,  52,  53,
 &end
#
#    0 AMB  10-2:328      5 GLN  HN          3.50    (#    328:10  Single Ambig)
 &rst
  ixpk= 328, nxpk= 10, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  64,  65,  52,  53,
 &end
#
#    1 ALA  MB            1 ALA  HN          5.50    (#    329:10  Unique    1.87, 7.10 A)
 &rst
  ixpk= 329, nxpk= 10, iat=  -1,   2, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=   8,   9,  10,
 &end
#
#    4 GLU  HB-           4 GLU  HN          3.50    (#    334:10  Unique    2.24, 3.21 A)
 &rst
  ixpk= 334, nxpk= 10, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  49,  50,
 &end
#
#    4 GLU  HG-           4 GLU  HN          4.50    (#    335:10  Unique    2.07, 3.06 A)
 &rst
  ixpk= 335, nxpk= 10, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  52,  53,
 &end
#
#    3 THR  MG2           4 GLU  HN          5.50    (#    336:10  Unique    2.02, 4.20 A)
 &rst
  ixpk= 336, nxpk= 10, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  37,  38,  39,
 &end
#
#   68 PHE  HB+          68 PHE  HN          3.50    (#    338:10  Unique    2.37, 2.49 A)
 &rst
  ixpk= 338, nxpk= 10, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1070,1071,
 &end
#
#   68 PHE  HB-          68 PHE  HN          3.50    (#    339:10  Unique    2.37, 2.49 A)
 &rst
  ixpk= 339, nxpk= 10, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1070,1071,
 &end
#
#    0 AMB  10-2:340     68 PHE  HN          7.00    (#    340:10  Single Ambig)
 &rst
  ixpk= 340, nxpk= 10, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1093,1094,1090,1091,
 &end
#
#   23 MET  HG+          23 MET  HN          4.50    (#    344:10  Unique    2.23, 3.70 A)
 &rst
  ixpk= 344, nxpk= 10, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 354, 355,
 &end
#
#   23 MET  HG-          23 MET  HN          4.50    (#    345:10  Unique    2.23, 3.70 A)
 &rst
  ixpk= 345, nxpk= 10, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 354, 355,
 &end
#
#    0 AMB  10-2:346     23 MET  HN          3.50    (#    346:10  Single Ambig)
 &rst
  ixpk= 346, nxpk= 10, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 339, 340, 339, 340,
 &end
#
#    0 AMB  10-2:347     23 MET  HN          2.80    (#    347:10  Single Ambig)
 &rst
  ixpk= 347, nxpk= 10, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 351, 352, 336, 337,
 &end
#
#    0 AMB  10-2:348     23 MET  HN          2.80    (#    348:10  Single Ambig)
 &rst
  ixpk= 348, nxpk= 10, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 351, 352, 336, 337,
 &end
#
#   24 MET  HG+          24 MET  HN          3.50    (#    349:10  Unique    2.18, 2.95 A)
 &rst
  ixpk= 349, nxpk= 10, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 371, 372,
 &end
#
#   23 MET  HG+          24 MET  HN          4.50    (#    350:10  Unique    4.02, 4.72 A)
 &rst
  ixpk= 350, nxpk= 10, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 354, 355,
 &end
#
#   24 MET  HG-          24 MET  HN          3.50    (#    351:10  Unique    2.18, 2.95 A)
 &rst
  ixpk= 351, nxpk= 10, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 371, 372,
 &end
#
#   24 MET  HB+          24 MET  HN          3.50    (#    352:10  Unique    2.47, 3.11 A)
 &rst
  ixpk= 352, nxpk= 10, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 368, 369,
 &end
#
#    0 AMB  10-2:353     24 MET  HN          2.80    (#    353:10  Single Ambig)
 &rst
  ixpk= 353, nxpk= 10, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 368, 369, 351, 352,
 &end
#
#   66 GLN  HB-          67 GLY  HN          4.50    (#    354:10  Unique    3.24, 4.06 A)
 &rst
  ixpk= 354, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1046,1047,
 &end
#
#   75 ALA  MB           67 GLY  HN          5.50    (#    355:10  Unique    3.68, 4.95 A)
 &rst
  ixpk= 355, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1190,1191,1192,
 &end
#
#    0 AMB  10-2:356     58 SER  HN          4.50    (#    356:10  Single Ambig)
 &rst
  ixpk= 356, nxpk= 10, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 921, 922, 921, 922,
 &end
#
#   58 SER  HA           58 SER  HN          3.50    (#    357:10  Unique    2.80, 2.85 A)
 &rst
  ixpk= 357, nxpk= 10, iat= 933, 931, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 ASN  HB+          30 ASN  HN          3.50    (#    358:10  Unique    2.18, 2.59 A)
 &rst
  ixpk= 358, nxpk= 10, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 471, 472,
 &end
#
#   30 ASN  HB-          30 ASN  HN          3.50    (#    359:10  Unique    2.18, 2.59 A)
 &rst
  ixpk= 359, nxpk= 10, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 471, 472,
 &end
#
#   14 THR  MG2          14 THR  HN          3.50    (#    360:10  Unique    3.31, 4.06 A)
 &rst
  ixpk= 360, nxpk= 10, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 219, 220, 221,
 &end
#
#    0 AMB  10-2:361     14 THR  HN          5.50    (#    361:10  Single Ambig)
 &rst
  ixpk= 361, nxpk= 10, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1217,1218,1245,1246,
 &end
#
#    0 AMB  10-2:362     14 THR  HN          4.50    (#    362:10  Single Ambig)
 &rst
  ixpk= 362, nxpk= 10, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 198, 199, 201,
 &end
#
#    0 AMB  10-2:363     14 THR  HN          4.50    (#    363:10  Single Ambig)
 &rst
  ixpk= 363, nxpk= 10, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 198, 199,1220,1221,1220,1221,
 &end
#
#    0 AMB  10-2:364     14 THR  HN          4.50    (#    364:10  Single Ambig)
 &rst
  ixpk= 364, nxpk= 10, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 203, 204, 205, 207, 208, 209, 758, 759, 760, 390,
       391, 392, 394, 395, 396,
 &end
#
#   16 LEU  MDX          14 THR  HN          3.50    (#    365:10  Unique    3.19, 5.02 A)
 &rst
  ixpk= 365, nxpk= 10, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 250, 251, 252, 254, 255, 256,
 &end
#
#    0 AMB  10-2:366     70 ILE  HN          3.50    (#    366:10  Single Ambig)
 &rst
  ixpk= 366, nxpk= 10, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1118,1119,1112,
 &end
#
#    0 AMB  10-2:367     70 ILE  HN          4.50    (#    367:10  Single Ambig)
 &rst
  ixpk= 367, nxpk= 10, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1090,1091,1096,1097,1093,1094,
 &end
#
#   70 ILE  HG1+         70 ILE  HN          4.50    (#    368:10  Unique    2.13, 2.92 A)
 &rst
  ixpk= 368, nxpk= 10, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1118,1119,
 &end
#
#    0 AMB  10-2:369     70 ILE  HN          4.50    (#    369:10  Single Ambig)
 &rst
  ixpk= 369, nxpk= 10, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1093,1094,1190,1191,1192,
 &end
#
#   36 LYS  HB+          36 LYS  HN          4.50    (#    371:10  Unique    2.55, 3.10 A)
 &rst
  ixpk= 371, nxpk= 10, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 563, 564,
 &end
#
#    0 AMB  10-2:372     36 LYS  HN          4.50    (#    372:10  Single Ambig)
 &rst
  ixpk= 372, nxpk= 10, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 566, 567, 569, 570,
 &end
#
#   36 LYS  HB-          36 LYS  HN          3.50    (#    373:10  Unique    2.55, 3.10 A)
 &rst
  ixpk= 373, nxpk= 10, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 563, 564,
 &end
#
#    0 AMB  10-2:374     77 LYS  HN          3.50    (#    374:10  Single Ambig)
 &rst
  ixpk= 374, nxpk= 10, iat=  -1,1213, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1203,1204, 231, 232,
 &end
#
#   77 LYS  HB+          77 LYS  HN          3.50    (#    375:10  Unique    2.47, 2.92 A)
 &rst
  ixpk= 375, nxpk= 10, iat=  -1,1213, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1217,1218,
 &end
#
#   77 LYS  HB-          77 LYS  HN          3.50    (#    376:10  Unique    2.47, 2.92 A)
 &rst
  ixpk= 376, nxpk= 10, iat=  -1,1213, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1217,1218,
 &end
#
#    0 AMB  10-2:378     59 ASN  HN          4.50    (#    378:10  Single Ambig)
 &rst
  ixpk= 378, nxpk= 10, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=  98,  99, 960, 961, 962,
 &end
#
#    0 AMB  10-2:379     59 ASN  HN          2.80    (#    379:10  Single Ambig)
 &rst
  ixpk= 379, nxpk= 10, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 946, 947, 946, 947,
 &end
#
#   47 ILE  HB           48 ALA  HN          3.50    (#    380:10  Unique    2.48, 2.60 A)
 &rst
  ixpk= 380, nxpk= 10, iat= 756, 771, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 LEU  HB+          48 ALA  HN          3.50    (#    381:10  Unique    2.98, 3.35 A)
 &rst
  ixpk= 381, nxpk= 10, iat=  -1, 771, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 198, 199,
 &end
#
#   13 LEU  HB-          48 ALA  HN          3.50    (#    382:10  Unique    2.98, 3.35 A)
 &rst
  ixpk= 382, nxpk= 10, iat=  -1, 771, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 198, 199,
 &end
#
#   48 ALA  MB           48 ALA  HN          3.50    (#    383:10  Unique    2.91, 3.48 A)
 &rst
  ixpk= 383, nxpk= 10, iat=  -1, 771, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 775, 776, 777,
 &end
#
#    0 AMB  10-2:384      0 AMB  10-1:384    3.50    (#    384:10  Double Ambig)
 &rst
  ixpk= 384, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 970, 971, 972, 762, 763, 758, 759, 760,
 igr2= 976, 771,
 &end
#
#   16 LEU  HG           48 ALA  HN          4.50    (#    385:10  Unique    4.23, 4.37 A)
 &rst
  ixpk= 385, nxpk= 10, iat= 248, 771, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   62 LYS  HB+          62 LYS  HN          3.50    (#    386:10  Unique    2.15, 2.48 A)
 &rst
  ixpk= 386, nxpk= 10, iat=  -1, 976, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 980, 981,
 &end
#
#    0 AMB  10-2:387     27 MET  HN          2.80    (#    387:10  Single Ambig)
 &rst
  ixpk= 387, nxpk= 10, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 415, 416, 415, 416,
 &end
#
#    0 AMB  10-2:388     27 MET  HN          3.50    (#    388:10  Single Ambig)
 &rst
  ixpk= 388, nxpk= 10, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 418, 419, 418, 419,
 &end
#
#   13 LEU  HB-          16 LEU  HN          5.50    (#    389:10  Unique    5.37, 6.25 A)
 &rst
  ixpk= 389, nxpk= 10, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 198, 199,
 &end
#
#   16 LEU  HB+          16 LEU  HN          3.50    (#    390:10  Unique    2.58, 3.16 A)
 &rst
  ixpk= 390, nxpk= 10, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 245, 246,
 &end
#
#   16 LEU  MDX          16 LEU  HN          3.50    (#    391:10  Unique    3.29, 4.28 A)
 &rst
  ixpk= 391, nxpk= 10, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 250, 251, 252, 254, 255, 256,
 &end
#
#   16 LEU  HG           16 LEU  HN          3.50    (#    392:10  Unique    2.18, 2.23 A)
 &rst
  ixpk= 392, nxpk= 10, iat= 248, 241, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 GLU  HG+          63 GLU  HN          3.50    (#    393:10  Unique    2.23, 2.98 A)
 &rst
  ixpk= 393, nxpk= 10, iat=  -1, 998, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1005,1006,
 &end
#
#   63 GLU  HG-          63 GLU  HN          3.50    (#    394:10  Unique    2.23, 2.98 A)
 &rst
  ixpk= 394, nxpk= 10, iat=  -1, 998, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1005,1006,
 &end
#
#    0 AMB  10-2:395     63 GLU  HN          2.80    (#    395:10  Single Ambig)
 &rst
  ixpk= 395, nxpk= 10, iat=  -1, 998, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1002,1003, 980, 981,
 &end
#
#    0 AMB  10-2:396     63 GLU  HN          4.50    (#    396:10  Single Ambig)
 &rst
  ixpk= 396, nxpk= 10, iat=  -1, 998, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1017,1018,1019, 960, 961, 962,
 &end
#
#   62 LYS  HD-          63 GLU  HN          4.50    (#    397:10  Unique    2.74, 4.47 A)
 &rst
  ixpk= 397, nxpk= 10, iat=  -1, 998, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 986, 987,
 &end
#
#   62 LYS  HD+          63 GLU  HN          4.50    (#    398:10  Unique    2.74, 4.47 A)
 &rst
  ixpk= 398, nxpk= 10, iat=  -1, 998, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 986, 987,
 &end
#
#   15 ASN  HB-          15 ASN  HD2+        3.50    (#    399:10  Unique    2.21, 3.26 A)
 &rst
  ixpk= 399, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 231, 232,
 igr2= 236, 237,
 &end
#
#   75 ALA  MB           15 ASN  HD2+        4.50    (#    400:10  Unique    3.01, 4.42 A)
 &rst
  ixpk= 400, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1190,1191,1192,
 igr2= 236, 237,
 &end
#
#    0 AMB  10-2:401     54 THR  HN          3.50    (#    401:10  Single Ambig)
 &rst
  ixpk= 401, nxpk= 10, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 921, 922, 921, 922,
 &end
#
#   53 THR  MG2          54 THR  HN          4.50    (#    402:10  Unique    3.24, 4.05 A)
 &rst
  ixpk= 402, nxpk= 10, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 858, 859, 860,
 &end
#
#   54 THR  MG2          54 THR  HN          3.50    (#    403:10  Unique    3.78, 4.35 A)
 &rst
  ixpk= 403, nxpk= 10, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 872, 873, 874,
 &end
#
#   69 LYS  HE+          69 LYS  HN          5.50    (#    404:10  Unique    4.78, 5.46 A)
 &rst
  ixpk= 404, nxpk= 10, iat=  -1,1086, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1099,1100,
 &end
#
#    0 AMB  10-2:405     32 PHE  HN          4.50    (#    405:10  Single Ambig)
 &rst
  ixpk= 405, nxpk= 10, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 488, 489, 488, 489,
 &end
#
#    0 AMB  10-2:406     10 ILE  HN          3.50    (#    406:10  Single Ambig)
 &rst
  ixpk= 406, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 126, 127, 126, 127,
 &end
#
#   66 GLN  HG-          66 GLN  HE2-        3.50    (#    407:10  Unique    2.19, 3.20 A)
 &rst
  ixpk= 407, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1049,1050,
 igr2=1054,1055,
 &end
#
#   66 GLN  HG+          66 GLN  HE2-        3.50    (#    408:10  Unique    2.19, 3.20 A)
 &rst
  ixpk= 408, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1049,1050,
 igr2=1054,1055,
 &end
#
#    0 AMB  10-2:409     36 LYS  HN          4.50    (#    409:10  Single Ambig)
 &rst
  ixpk= 409, nxpk= 10, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 543, 544, 836, 837, 836, 837,
 &end
#
#    0 AMB  10-2:410     54 THR  HN          3.50    (#    410:10  Single Ambig)
 &rst
  ixpk= 410, nxpk= 10, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 836, 837, 836, 837,
 &end
#
#   65 LEU  MDY          65 LEU  HN          3.50    (#    411:10  Unique    3.99, 4.79 A)
 &rst
  ixpk= 411, nxpk= 10, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#   65 LEU  MDX          65 LEU  HN          4.50    (#    412:10  Unique    3.99, 4.79 A)
 &rst
  ixpk= 412, nxpk= 10, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#    0 AMB  10-2:413     29 PHE  HN          5.50    (#    413:10  Single Ambig)
 &rst
  ixpk= 413, nxpk= 10, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1032,1033,1034,1036,1037,1038, 437, 438, 439, 441,
       442, 443,
 &end
#
#    0 AMB  10-2:414      0 AMB  10-1:414    4.50    (#    414:10  Double Ambig)
 &rst
  ixpk= 414, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=1032,1033,1034,1036,1037,1038, 437, 438, 439, 441,
       442, 443,
 igr2= 493, 494, 493, 494,
 &end
#
#   69 LYS  HB-          69 LYS  HN          3.50    (#    416:10  Unique    2.42, 3.05 A)
 &rst
  ixpk= 416, nxpk= 10, iat=  -1,1086, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1090,1091,
 &end
#
#   69 LYS  HG+          69 LYS  HN          4.50    (#    417:10  Unique    2.16, 3.13 A)
 &rst
  ixpk= 417, nxpk= 10, iat=  -1,1086, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1093,1094,
 &end
#
#    0 AMB  10-2:418     74 HIS  HN          4.50    (#    418:10  Single Ambig)
 &rst
  ixpk= 418, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1161,1162,1163,1093,1094,
 &end
#
#   56 LEU  MDX          56 LEU  HN          4.50    (#    419:10  Unique    2.51, 3.93 A)
 &rst
  ixpk= 419, nxpk= 10, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 904, 905, 906, 908, 909, 910,
 &end
#
#    0 AMB  10-2:420     56 LEU  HN          2.80    (#    420:10  Single Ambig)
 &rst
  ixpk= 420, nxpk= 10, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1= 899, 900, 902, 884, 885, 884, 885,
 &end
#
#   56 LEU  HB-          56 LEU  HN          3.50    (#    421:10  Unique    2.28, 2.96 A)
 &rst
  ixpk= 421, nxpk= 10, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 899, 900,
 &end
#
#   54 THR  MG2          56 LEU  HN          4.50    (#    422:10  Unique    4.37, 4.91 A)
 &rst
  ixpk= 422, nxpk= 10, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 872, 873, 874,
 &end
#
#   31 GLN  HB+          32 PHE  HN          4.50    (#    423:10  Unique    3.38, 3.92 A)
 &rst
  ixpk= 423, nxpk= 10, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 485, 486,
 &end
#
#   61 ALA  MB           32 PHE  HN          5.50    (#    425:10  Unique    5.43, 6.42 A)
 &rst
  ixpk= 425, nxpk= 10, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 970, 971, 972,
 &end
#
#   10 ILE  HB           10 ILE  HN          3.50    (#    426:10  Unique    2.73, 2.89 A)
 &rst
  ixpk= 426, nxpk= 10, iat= 140, 136, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:427     10 ILE  HN          5.50    (#    427:10  Single Ambig)
 &rst
  ixpk= 427, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1330,1331,1330,1331,
 &end
#
#    0 AMB  10-2:428     10 ILE  HN          4.50    (#    428:10  Single Ambig)
 &rst
  ixpk= 428, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1292,1293,1294,1327,1328,1327,1328,
 &end
#
#   10 ILE  MG2          10 ILE  HN          4.50    (#    429:10  Unique    4.44, 4.81 A)
 &rst
  ixpk= 429, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 142, 143, 144,
 &end
#
#   44 ARG  HB+          44 ARG  HN          3.50    (#    431:10  Unique    2.27, 3.10 A)
 &rst
  ixpk= 431, nxpk= 10, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 703, 704,
 &end
#
#    0 AMB  10-2:432     44 ARG  HN          3.50    (#    432:10  Single Ambig)
 &rst
  ixpk= 432, nxpk= 10, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   47 ILE  MD1          44 ARG  HN          4.50    (#    433:10  Unique    4.06, 5.09 A)
 &rst
  ixpk= 433, nxpk= 10, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 765, 766, 767,
 &end
#
#   44 ARG  HB-          44 ARG  HN          3.50    (#    434:10  Unique    2.27, 3.10 A)
 &rst
  ixpk= 434, nxpk= 10, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 703, 704,
 &end
#
#    0 AMB  10-2:435     44 ARG  HN          4.50    (#    435:10  Single Ambig)
 &rst
  ixpk= 435, nxpk= 10, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 706, 707, 706, 707,
 &end
#
#   64 ALA  MB           65 LEU  HN          2.80    (#    436:10  Unique    2.66, 3.49 A)
 &rst
  ixpk= 436, nxpk= 10, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1017,1018,1019,
 &end
#
#    7 PRO  HB-          59 ASN  HD2+        4.50    (#    437:10  Unique    4.99, 5.94 A)
 &rst
  ixpk= 437, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  98,  99,
 igr2= 951, 952,
 &end
#
#    0 AMB  10-2:438     65 LEU  HN          3.50    (#    438:10  Single Ambig)
 &rst
  ixpk= 438, nxpk= 10, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1027,1028,1027,1028,
 &end
#
#   65 LEU  HG           65 LEU  HN          3.50    (#    439:10  Unique    2.80, 2.84 A)
 &rst
  ixpk= 439, nxpk= 10, iat=1030,1023, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:440      0 AMB  10-1:440    3.50    (#    440:10  Double Ambig)
 &rst
  ixpk= 440, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 904, 905, 906, 908, 909, 910,1248,1249,1250,
 igr2= 951, 952,1023,
 &end
#
#   28 LEU  HB+          29 PHE  HN          4.50    (#    441:10  Unique    2.38, 2.88 A)
 &rst
  ixpk= 441, nxpk= 10, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 432, 433,
 &end
#
#   28 LEU  HB-          29 PHE  HN          4.50    (#    442:10  Unique    2.38, 2.88 A)
 &rst
  ixpk= 442, nxpk= 10, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 432, 433,
 &end
#
#   28 LEU  HG           29 PHE  HN          4.50    (#    443:10  Unique    4.50, 4.51 A)
 &rst
  ixpk= 443, nxpk= 10, iat= 435, 447, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 GLN  HB+          31 GLN  HE2+        5.50    (#    444:10  Unique    2.52, 3.61 A)
 &rst
  ixpk= 444, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 485, 486,
 igr2= 493, 494,
 &end
#
#   31 GLN  HB-          31 GLN  HE2+        5.50    (#    445:10  Unique    2.52, 3.61 A)
 &rst
  ixpk= 445, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 485, 486,
 igr2= 493, 494,
 &end
#
#   78 ILE  MG2          66 GLN  HE2-        5.50    (#    446:10  Unique    4.32, 5.62 A)
 &rst
  ixpk= 446, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1241,1242,1243,
 igr2=1054,1055,
 &end
#
#    0 AMB  10-2:447     66 GLN  HE2-        4.50    (#    447:10  Single Ambig)
 &rst
  ixpk= 447, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1=1239,1223,1224,1223,1224,1245,1246,
 igr2=1054,1055,
 &end
#
#    0 AMB  10-2:448     71 THR  HN          4.50    (#    448:10  Single Ambig)
 &rst
  ixpk= 448, nxpk= 10, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1090,1091,1118,1119,
 &end
#
#   70 ILE  HB           71 THR  HN          3.50    (#    449:10  Unique    2.50, 2.55 A)
 &rst
  ixpk= 449, nxpk= 10, iat=1112,1127, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:450     71 THR  HN          4.50    (#    450:10  Single Ambig)
 &rst
  ixpk= 450, nxpk= 10, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1090,1091,1096,1097,
 &end
#
#    0 AMB  10-2:451     71 THR  HN          4.50    (#    451:10  Single Ambig)
 &rst
  ixpk= 451, nxpk= 10, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1093,1094,1190,1191,1192,
 &end
#
#   70 ILE  MD1          71 THR  HN          4.50    (#    452:10  Unique    4.56, 5.38 A)
 &rst
  ixpk= 452, nxpk= 10, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1121,1122,1123,
 &end
#
#   74 HIS  HB+          74 HIS  HN          4.50    (#    453:10  Unique    2.68, 3.25 A)
 &rst
  ixpk= 453, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1173,1174,
 &end
#
#   74 HIS  HB-          74 HIS  HN          3.50    (#    454:10  Unique    2.68, 3.25 A)
 &rst
  ixpk= 454, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1173,1174,
 &end
#
#    0 AMB  10-2:455     56 LEU  HN          4.50    (#    455:10  Single Ambig)
 &rst
  ixpk= 455, nxpk= 10, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 921, 922, 921, 922,
 &end
#
#   55 GLU  HG+          56 LEU  HN          4.50    (#    456:10  Unique    4.09, 4.81 A)
 &rst
  ixpk= 456, nxpk= 10, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 887, 888,
 &end
#
#   41 VAL  HB           44 ARG  HN          4.50    (#    457:10  Unique    2.62, 3.31 A)
 &rst
  ixpk= 457, nxpk= 10, iat= 659, 699, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 HIS  HB+          44 ARG  HN          5.50    (#    458:10  Unique    4.52, 5.96 A)
 &rst
  ixpk= 458, nxpk= 10, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 727, 728,
 &end
#
#   43 ASN  HB-          44 ARG  HN          4.50    (#    459:10  Unique    2.73, 3.89 A)
 &rst
  ixpk= 459, nxpk= 10, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 689, 690,
 &end
#
#    0 AMB  10-2:460      0 AMB  10-1:460    3.50    (#    460:10  Double Ambig)
 &rst
  ixpk= 460, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 946, 947, 946, 947,
 igr2= 951, 952, 951, 952,
 &end
#
#   66 GLN  HB-          65 LEU  HN          5.50    (#    461:10  Unique    4.35, 5.11 A)
 &rst
  ixpk= 461, nxpk= 10, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1046,1047,
 &end
#
#   29 PHE  HB-          29 PHE  HN          3.50    (#    462:10  Unique    2.35, 3.00 A)
 &rst
  ixpk= 462, nxpk= 10, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 451, 452,
 &end
#
#   29 PHE  HB+          29 PHE  HN          4.50    (#    463:10  Unique    2.35, 3.00 A)
 &rst
  ixpk= 463, nxpk= 10, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 451, 452,
 &end
#
#   76 MET  ME           29 PHE  HN          5.50    (#    464:10  Unique    5.46, 6.64 A)
 &rst
  ixpk= 464, nxpk= 10, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1207,1208,1209,
 &end
#
#    0 AMB  10-2:465      0 AMB  10-1:465    3.50    (#    465:10  Double Ambig)
 &rst
  ixpk= 465, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 488, 489, 488, 489,
 igr2= 493, 494, 493, 494,
 &end
#
#   74 HIS  HB-          71 THR  HN          4.50    (#    466:10  Unique    2.47, 3.72 A)
 &rst
  ixpk= 466, nxpk= 10, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1173,1174,
 &end
#
#   74 HIS  HB+          71 THR  HN          5.50    (#    467:10  Unique    2.47, 3.72 A)
 &rst
  ixpk= 467, nxpk= 10, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1173,1174,
 &end
#
#   68 PHE  HB+          69 LYS  HN          5.50    (#    468:10  Unique    4.33, 4.38 A)
 &rst
  ixpk= 468, nxpk= 10, iat=  -1,1086, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1070,1071,
 &end
#
#    0 AMB  10-2:469     32 PHE  HN          3.50    (#    469:10  Single Ambig)
 &rst
  ixpk= 469, nxpk= 10, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 502, 503, 543, 544,
 &end
#
#   73 THR  MG2          73 THR  HN          4.50    (#    470:10  Unique    2.39, 3.41 A)
 &rst
  ixpk= 470, nxpk= 10, iat=  -1,1155, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1161,1162,1163,
 &end
#
#    0 AMB  10-2:471     35 PHE  HN          3.50    (#    471:10  Single Ambig)
 &rst
  ixpk= 471, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 543, 544, 502, 503,
 &end
#
#   57 GLN  HB-          57 GLN  HN          4.50    (#    473:10  Unique    2.43, 3.04 A)
 &rst
  ixpk= 473, nxpk= 10, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 918, 919,
 &end
#
#    0 AMB  10-2:474     57 GLN  HN          3.50    (#    474:10  Single Ambig)
 &rst
  ixpk= 474, nxpk= 10, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 921, 922, 921, 922,
 &end
#
#   56 LEU  HB+          57 GLN  HN          3.50    (#    475:10  Unique    2.80, 3.25 A)
 &rst
  ixpk= 475, nxpk= 10, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 899, 900,
 &end
#
#   56 LEU  HB-          57 GLN  HN          4.50    (#    476:10  Unique    2.80, 3.25 A)
 &rst
  ixpk= 476, nxpk= 10, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 899, 900,
 &end
#
#   54 THR  MG2          57 GLN  HN          4.50    (#    477:10  Unique    5.20, 5.45 A)
 &rst
  ixpk= 477, nxpk= 10, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 872, 873, 874,
 &end
#
#    0 AMB  10-2:478     60 ALA  HN          3.50    (#    478:10  Single Ambig)
 &rst
  ixpk= 478, nxpk= 10, iat=  -1, 956, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 946, 947, 946, 947,
 &end
#
#   60 ALA  MB           60 ALA  HN          2.80    (#    479:10  Unique    2.54, 2.91 A)
 &rst
  ixpk= 479, nxpk= 10, iat=  -1, 956, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 960, 961, 962,
 &end
#
#    0 AMB  10-2:480     60 ALA  HN          5.50    (#    480:10  Single Ambig)
 &rst
  ixpk= 480, nxpk= 10, iat=  -1, 956, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 904, 905, 906, 908, 909, 910, 164, 165, 166, 168,
       169, 170,
 &end
#
#   19 GLU  HB-          20 THR  HN          4.50    (#    481:10  Unique    3.29, 3.98 A)
 &rst
  ixpk= 481, nxpk= 10, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 293, 294,
 &end
#
#   16 LEU  HB+          20 THR  HN          4.50    (#    482:10  Unique    4.47, 4.75 A)
 &rst
  ixpk= 482, nxpk= 10, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 245, 246,
 &end
#
#   19 GLU  HB+          20 THR  HN          4.50    (#    483:10  Unique    3.29, 3.98 A)
 &rst
  ixpk= 483, nxpk= 10, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 293, 294,
 &end
#
#    0 AMB  10-2:484     20 THR  HN          4.50    (#    484:10  Single Ambig)
 &rst
  ixpk= 484, nxpk= 10, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 267, 268,1114,1115,1116,
 &end
#
#    0 AMB  10-2:485     25 LEU  HN          5.50    (#    485:10  Single Ambig)
 &rst
  ixpk= 485, nxpk= 10, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 371, 372, 354, 355,
 &end
#
#   24 MET  HB+          25 LEU  HN          3.50    (#    486:10  Unique    2.37, 2.97 A)
 &rst
  ixpk= 486, nxpk= 10, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 368, 369,
 &end
#
#   24 MET  HB-          25 LEU  HN          2.80    (#    487:10  Unique    2.37, 2.97 A)
 &rst
  ixpk= 487, nxpk= 10, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 368, 369,
 &end
#
#   25 LEU  MDY          25 LEU  HN          3.50    (#    488:10  Unique    3.03, 4.32 A)
 &rst
  ixpk= 488, nxpk= 10, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 390, 391, 392, 394, 395, 396,
 &end
#
#   25 LEU  HB-          25 LEU  HN          4.50    (#    489:10  Unique    2.44, 3.07 A)
 &rst
  ixpk= 489, nxpk= 10, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 385, 386,
 &end
#
#    0 AMB  10-2:490     25 LEU  HN          4.50    (#    490:10  Single Ambig)
 &rst
  ixpk= 490, nxpk= 10, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 602, 603, 604, 606, 607, 608, 432, 433,
 &end
#
#   25 LEU  MDX          25 LEU  HN          3.50    (#    491:10  Unique    3.03, 4.32 A)
 &rst
  ixpk= 491, nxpk= 10, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 390, 391, 392, 394, 395, 396,
 &end
#
#   25 LEU  HG           25 LEU  HN          3.50    (#    492:10  Unique    2.35, 2.41 A)
 &rst
  ixpk= 492, nxpk= 10, iat= 388, 381, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 VAL  MGX          25 LEU  HN          5.50    (#    493:10  Unique    4.00, 5.45 A)
 &rst
  ixpk= 493, nxpk= 10, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  10-2:494      0 AMB  10-1:494    2.80    (#    494:10  Double Ambig)
 &rst
  ixpk= 494, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 689, 690, 689, 690,
 igr2= 694, 695, 694, 695,
 &end
#
#    5 GLN  HG+           5 GLN  HE2+        3.50    (#    495:10  Unique    2.34, 3.38 A)
 &rst
  ixpk= 495, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  67,  68,
 igr2=  72,  73,
 &end
#
#    5 GLN  HG-           5 GLN  HE2+        3.50    (#    496:10  Unique    2.34, 3.38 A)
 &rst
  ixpk= 496, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  67,  68,
 igr2=  72,  73,
 &end
#
#    5 GLN  HB+           5 GLN  HE2+        4.50    (#    497:10  Unique    3.68, 4.47 A)
 &rst
  ixpk= 497, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  64,  65,
 igr2=  72,  73,
 &end
#
#    0 AMB  10-2:498      0 AMB  10-1:498    4.50    (#    498:10  Double Ambig)
 &rst
  ixpk= 498, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1308,1309,1308,1309,
 igr2=  72,  73,  72,  73,
 &end
#
#   21 ASN  HB+          21 ASN  HD2+        3.50    (#    499:10  Unique    2.24, 3.30 A)
 &rst
  ixpk= 499, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 322, 323,
 igr2= 327, 328,
 &end
#
#   21 ASN  HB-          21 ASN  HD2+        3.50    (#    500:10  Unique    2.24, 3.30 A)
 &rst
  ixpk= 500, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 322, 323,
 igr2= 327, 328,
 &end
#
#    2 GLN  HG+           2 GLN  HE2+        3.50    (#    501:10  Unique    2.23, 3.44 A)
 &rst
  ixpk= 501, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  21,  22,
 igr2=  26,  27,
 &end
#
#    0 AMB  10-2:502      0 AMB  10-1:502    4.50    (#    502:10  Double Ambig)
 &rst
  ixpk= 502, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
 igr1=1220,1221,1220,1221,1260,1261,1262,
 igr2=  26,  27,  26,  27,  26,  27,
 &end
#
#    0 AMB  10-2:503      0 AMB  10-1:503    4.50    (#    503:10  Double Ambig)
 &rst
  ixpk= 503, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 109, 110,1272,1273,
 igr2= 114, 115, 114, 115,
 &end
#
#    8 ASN  HB-           8 ASN  HD2+        3.50    (#    504:10  Unique    2.24, 3.20 A)
 &rst
  ixpk= 504, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 109, 110,
 igr2= 114, 115,
 &end
#
#   82 LYS  HG+           8 ASN  HD2+        5.50    (#    505:10  Unique    5.38, 6.86 A)
 &rst
  ixpk= 505, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1305,1306,
 igr2= 114, 115,
 &end
#
#    0 AMB  10-2:506      0 AMB  10-1:506    4.50    (#    506:10  Double Ambig)
 &rst
  ixpk= 506, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1330,1331,1330,1331,
 igr2= 114, 115, 114, 115,
 &end
#
#    0 AMB  10-2:507      0 AMB  10-1:507    3.50    (#    507:10  Double Ambig)
 &rst
  ixpk= 507, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=1327,1328,1327,1328,1292,1293,1294,
 igr2= 114, 115, 114, 115, 114, 115,
 &end
#
#    0 AMB  10-2:508      0 AMB  10-1:508    3.50    (#    508:10  Double Ambig)
 &rst
  ixpk= 508, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 126, 127, 126, 127,
 igr2= 131, 132, 131, 132,
 &end
#
#    9 GLN  HB+           9 GLN  HE2+        4.50    (#    509:10  Unique    2.29, 3.40 A)
 &rst
  ixpk= 509, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 123, 124,
 igr2= 131, 132,
 &end
#
#    9 GLN  HB-           9 GLN  HE2+        4.50    (#    510:10  Unique    2.29, 3.40 A)
 &rst
  ixpk= 510, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 123, 124,
 igr2= 131, 132,
 &end
#
#    0 AMB  10-2:511      0 AMB  10-1:511    5.50    (#    511:10  Double Ambig)
 &rst
  ixpk= 511, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1= 149, 150, 151, 146, 147,
 igr2= 131, 132, 131, 132,
 &end
#
#   66 GLN  HB-          66 GLN  HN          3.50    (#    512:10  Unique    2.15, 2.84 A)
 &rst
  ixpk= 512, nxpk= 10, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1046,1047,
 &end
#
#   66 GLN  HB+          66 GLN  HN          2.80    (#    513:10  Unique    2.15, 2.84 A)
 &rst
  ixpk= 513, nxpk= 10, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1046,1047,
 &end
#
#   66 GLN  HG+          66 GLN  HN          4.50    (#    514:10  Unique    2.78, 3.61 A)
 &rst
  ixpk= 514, nxpk= 10, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1049,1050,
 &end
#
#   21 ASN  HB+          21 ASN  HN          4.50    (#    515:10  Unique    2.82, 3.26 A)
 &rst
  ixpk= 515, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 322, 323,
 &end
#
#   21 ASN  HB-          21 ASN  HN          4.50    (#    516:10  Unique    2.82, 3.26 A)
 &rst
  ixpk= 516, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 322, 323,
 &end
#
#   24 MET  HG-          21 ASN  HN          4.50    (#    517:10  Unique    2.44, 3.21 A)
 &rst
  ixpk= 517, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 371, 372,
 &end
#
#   24 MET  HB+          21 ASN  HN          3.50    (#    518:10  Unique    2.21, 3.16 A)
 &rst
  ixpk= 518, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 368, 369,
 &end
#
#    0 AMB  10-2:519     21 ASN  HN          5.50    (#    519:10  Single Ambig)
 &rst
  ixpk= 519, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 351, 352, 336, 337,
 &end
#
#   24 MET  HG+          21 ASN  HN          4.50    (#    520:10  Unique    2.44, 3.21 A)
 &rst
  ixpk= 520, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 371, 372,
 &end
#
#   61 ALA  HA           64 ALA  HN          5.50    (#    521:10  Unique    3.30, 3.35 A)
 &rst
  ixpk= 521, nxpk= 10, iat= 968,1013, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   63 GLU  HG+          64 ALA  HN          5.50    (#    522:10  Unique    2.81, 4.73 A)
 &rst
  ixpk= 522, nxpk= 10, iat=  -1,1013, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1005,1006,
 &end
#
#   63 GLU  HB-          64 ALA  HN          3.50    (#    523:10  Unique    2.72, 3.30 A)
 &rst
  ixpk= 523, nxpk= 10, iat=  -1,1013, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1002,1003,
 &end
#
#   63 GLU  HB+          64 ALA  HN          3.50    (#    524:10  Unique    2.72, 3.30 A)
 &rst
  ixpk= 524, nxpk= 10, iat=  -1,1013, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1002,1003,
 &end
#
#   63 GLU  HG-          64 ALA  HN          5.50    (#    525:10  Unique    2.81, 4.73 A)
 &rst
  ixpk= 525, nxpk= 10, iat=  -1,1013, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1005,1006,
 &end
#
#   30 ASN  HB+          30 ASN  HD2-        4.50    (#    526:10  Unique    2.24, 3.33 A)
 &rst
  ixpk= 526, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 471, 472,
 igr2= 476, 477,
 &end
#
#   30 ASN  HB-          30 ASN  HD2-        4.50    (#    527:10  Unique    2.24, 3.33 A)
 &rst
  ixpk= 527, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 471, 472,
 igr2= 476, 477,
 &end
#
#    0 AMB  10-2:528      0 AMB  10-1:528    3.50    (#    528:10  Double Ambig)
 &rst
  ixpk= 528, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 921, 922, 921, 922,
 igr2= 926, 927, 926, 927,
 &end
#
#   39 ARG  HD-          39 ARG  HE          5.50    (#    529:10  Unique    2.24, 2.65 A)
 &rst
  ixpk= 529, nxpk= 10, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 622, 623,
 &end
#
#   39 ARG  HD+          39 ARG  HE          4.50    (#    530:10  Unique    2.24, 2.65 A)
 &rst
  ixpk= 530, nxpk= 10, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 622, 623,
 &end
#
#   39 ARG  HB-          39 ARG  HE          4.50    (#    531:10  Unique    2.61, 4.10 A)
 &rst
  ixpk= 531, nxpk= 10, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 616, 617,
 &end
#
#   78 ILE  MD1          66 GLN  HN          3.50    (#    532:10  Unique    2.83, 3.76 A)
 &rst
  ixpk= 532, nxpk= 10, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1248,1249,1250,
 &end
#
#   70 ILE  MG2          21 ASN  HN          5.50    (#    533:10  Unique    5.53, 6.25 A)
 &rst
  ixpk= 533, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1114,1115,1116,
 &end
#
#   40 LEU  MDX          21 ASN  HN          5.50    (#    534:10  Unique    3.62, 5.46 A)
 &rst
  ixpk= 534, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 645, 646, 647, 649, 650, 651,
 &end
#
#    0 AMB  10-2:535     21 ASN  HN          4.50    (#    535:10  Single Ambig)
 &rst
  ixpk= 535, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 645, 646, 647, 649, 650, 651, 390, 391, 392, 394,
       395, 396,
 &end
#
#   25 LEU  HG           21 ASN  HN          5.50    (#    536:10  Unique    3.73, 3.87 A)
 &rst
  ixpk= 536, nxpk= 10, iat= 388, 318, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   78 ILE  MG2          66 GLN  HN          5.50    (#    537:10  Unique    5.05, 6.26 A)
 &rst
  ixpk= 537, nxpk= 10, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1241,1242,1243,
 &end
#
#   65 LEU  MDY          66 GLN  HN          5.50    (#    538:10  Unique    5.30, 6.29 A)
 &rst
  ixpk= 538, nxpk= 10, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#    7 PRO  HB-           8 ASN  HN          5.50    (#    539:10  Unique    3.18, 3.58 A)
 &rst
  ixpk= 539, nxpk= 10, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  98,  99,
 &end
#
#    7 PRO  HA            8 ASN  HN          3.50    (#    540:10  Unique    2.20, 2.24 A)
 &rst
  ixpk= 540, nxpk= 10, iat= 101, 105, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:541     37 GLU  HN          2.80    (#    541:10  Single Ambig)
 &rst
  ixpk= 541, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 821, 822, 821, 822, 585, 586,
 &end
#
#    0 AMB  10-2:542     37 GLU  HN          4.50    (#    542:10  Single Ambig)
 &rst
  ixpk= 542, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 824, 825, 600,
 &end
#
#   36 LYS  HD+          37 GLU  HN          5.50    (#    543:10  Unique    4.81, 5.98 A)
 &rst
  ixpk= 543, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 569, 570,
 &end
#
#   36 LYS  HB+          37 GLU  HN          3.50    (#    544:10  Unique    2.42, 3.14 A)
 &rst
  ixpk= 544, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 563, 564,
 &end
#
#   36 LYS  HB-          37 GLU  HN          3.50    (#    545:10  Unique    2.42, 3.14 A)
 &rst
  ixpk= 545, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 563, 564,
 &end
#
#   30 ASN  HB-          30 ASN  HD2+        4.50    (#    546:10  Unique    2.24, 3.33 A)
 &rst
  ixpk= 546, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 471, 472,
 igr2= 476, 477,
 &end
#
#    0 AMB  10-2:547      8 ASN  HN          5.50    (#    547:10  Single Ambig)
 &rst
  ixpk= 547, nxpk= 10, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 109, 110, 946, 947,
 &end
#
#    0 AMB  10-2:548      8 ASN  HN          4.50    (#    548:10  Single Ambig)
 &rst
  ixpk= 548, nxpk= 10, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 109, 110,1272,1273,
 &end
#
#    0 AMB  10-2:549     37 GLU  HN          5.50    (#    549:10  Single Ambig)
 &rst
  ixpk= 549, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 572, 573, 572, 573,
 &end
#
#   30 ASN  HB+          30 ASN  HD2+        4.50    (#    551:10  Unique    2.24, 3.33 A)
 &rst
  ixpk= 551, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 471, 472,
 igr2= 476, 477,
 &end
#
#    0 AMB  10-2:553     61 ALA  HN          5.50    (#    553:10  Single Ambig)
 &rst
  ixpk= 553, nxpk= 10, iat=  -1, 966, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 980, 981,1002,1003,
 &end
#
#   61 ALA  MB           61 ALA  HN          2.80    (#    554:10  Unique    2.48, 2.89 A)
 &rst
  ixpk= 554, nxpk= 10, iat=  -1, 966, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 970, 971, 972,
 &end
#
#   58 SER  HA           61 ALA  HN          4.50    (#    555:10  Unique    3.29, 3.42 A)
 &rst
  ixpk= 555, nxpk= 10, iat= 933, 966, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 ALA  HA           61 ALA  HN          3.50    (#    556:10  Unique    2.85, 2.86 A)
 &rst
  ixpk= 556, nxpk= 10, iat= 968, 966, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 ALA  MB           61 ALA  HN          3.50    (#    557:10  Unique    2.64, 3.46 A)
 &rst
  ixpk= 557, nxpk= 10, iat=  -1, 966, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 960, 961, 962,
 &end
#
#    0 AMB  10-2:558     28 LEU  HN          4.50    (#    558:10  Single Ambig)
 &rst
  ixpk= 558, nxpk= 10, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 418, 419, 418, 419,
 &end
#
#   29 PHE  HB-          28 LEU  HN          5.50    (#    559:10  Unique    4.77, 5.62 A)
 &rst
  ixpk= 559, nxpk= 10, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 451, 452,
 &end
#
#    0 AMB  10-2:560     28 LEU  HN          4.50    (#    560:10  Single Ambig)
 &rst
  ixpk= 560, nxpk= 10, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 422, 423, 424, 368, 369,
 &end
#
#   28 LEU  HB-          28 LEU  HN          3.50    (#    561:10  Unique    2.35, 3.01 A)
 &rst
  ixpk= 561, nxpk= 10, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 432, 433,
 &end
#
#   28 LEU  HG           28 LEU  HN          3.50    (#    562:10  Unique    2.53, 2.59 A)
 &rst
  ixpk= 562, nxpk= 10, iat= 435, 428, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 LEU  HB+          28 LEU  HN          3.50    (#    563:10  Unique    2.35, 3.01 A)
 &rst
  ixpk= 563, nxpk= 10, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 432, 433,
 &end
#
#   25 LEU  MDX          28 LEU  HN          5.50    (#    564:10  Unique    4.86, 6.65 A)
 &rst
  ixpk= 564, nxpk= 10, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 390, 391, 392, 394, 395, 396,
 &end
#
#   28 LEU  MDY          28 LEU  HN          4.50    (#    565:10  Unique    3.89, 4.58 A)
 &rst
  ixpk= 565, nxpk= 10, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 437, 438, 439, 441, 442, 443,
 &end
#
#   28 LEU  MDX          28 LEU  HN          3.50    (#    566:10  Unique    3.89, 4.58 A)
 &rst
  ixpk= 566, nxpk= 10, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 437, 438, 439, 441, 442, 443,
 &end
#
#   63 GLU  HG+          59 ASN  HD2-        4.50    (#    568:10  Unique    3.04, 4.31 A)
 &rst
  ixpk= 568, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1005,1006,
 igr2= 951, 952,
 &end
#
#   63 GLU  HG-          59 ASN  HD2-        5.50    (#    569:10  Unique    3.04, 4.31 A)
 &rst
  ixpk= 569, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1005,1006,
 igr2= 951, 952,
 &end
#
#    0 AMB  10-2:570     59 ASN  HD2-        3.50    (#    570:10  Single Ambig)
 &rst
  ixpk= 570, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 946, 947, 946, 947,
 igr2= 951, 952,
 &end
#
#    0 AMB  10-2:571     59 ASN  HD2-        5.50    (#    571:10  Single Ambig)
 &rst
  ixpk= 571, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 960, 961, 962,  98,  99,
 igr2= 951, 952,
 &end
#
#    0 AMB  10-2:572     31 GLN  HN          5.50    (#    572:10  Single Ambig)
 &rst
  ixpk= 572, nxpk= 10, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 502, 503, 543, 544,
 &end
#
#   31 GLN  HB-          31 GLN  HN          3.50    (#    573:10  Unique    2.33, 2.96 A)
 &rst
  ixpk= 573, nxpk= 10, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 485, 486,
 &end
#
#   30 ASN  HB+          31 GLN  HN          5.50    (#    574:10  Unique    3.12, 3.87 A)
 &rst
  ixpk= 574, nxpk= 10, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 471, 472,
 &end
#
#   30 ASN  HB-          31 GLN  HN          4.50    (#    575:10  Unique    3.12, 3.87 A)
 &rst
  ixpk= 575, nxpk= 10, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 471, 472,
 &end
#
#    0 AMB  10-2:576     31 GLN  HN          3.50    (#    576:10  Single Ambig)
 &rst
  ixpk= 576, nxpk= 10, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 488, 489, 488, 489,
 &end
#
#   31 GLN  HB+          31 GLN  HN          3.50    (#    577:10  Unique    2.33, 2.96 A)
 &rst
  ixpk= 577, nxpk= 10, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 485, 486,
 &end
#
#   41 VAL  HB           43 ASN  HD2-        5.50    (#    578:10  Unique    5.38, 6.90 A)
 &rst
  ixpk= 578, nxpk= 10, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 694, 695,
 &end
#
#    0 AMB  10-2:580     43 ASN  HD2-        3.50    (#    580:10  Single Ambig)
 &rst
  ixpk= 580, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 689, 690, 689, 690,
 igr2= 694, 695,
 &end
#
#   42 PRO  HB-          43 ASN  HD2-        5.50    (#    581:10  Unique    3.85, 7.99 A)
 &rst
  ixpk= 581, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 678, 679,
 igr2= 694, 695,
 &end
#
#    5 GLN  HB+           5 GLN  HE2-        4.50    (#    582:10  Unique    3.68, 4.47 A)
 &rst
  ixpk= 582, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  64,  65,
 igr2=  72,  73,
 &end
#
#    5 GLN  HG+           5 GLN  HE2-        3.50    (#    583:10  Unique    2.34, 3.38 A)
 &rst
  ixpk= 583, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  67,  68,
 igr2=  72,  73,
 &end
#
#    5 GLN  HG-           5 GLN  HE2-        4.50    (#    584:10  Unique    2.34, 3.38 A)
 &rst
  ixpk= 584, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  67,  68,
 igr2=  72,  73,
 &end
#
#    0 AMB  10-2:585      5 GLN  HE2-        4.50    (#    585:10  Single Ambig)
 &rst
  ixpk= 585, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1308,1309,1308,1309,
 igr2=  72,  73,
 &end
#
#   21 ASN  HB+          21 ASN  HD2-        4.50    (#    587:10  Unique    2.24, 3.30 A)
 &rst
  ixpk= 587, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 322, 323,
 igr2= 327, 328,
 &end
#
#   21 ASN  HB-          21 ASN  HD2-        3.50    (#    588:10  Unique    2.24, 3.30 A)
 &rst
  ixpk= 588, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 322, 323,
 igr2= 327, 328,
 &end
#
#    2 GLN  HG+           2 GLN  HE2-        4.50    (#    589:10  Unique    2.23, 3.44 A)
 &rst
  ixpk= 589, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  21,  22,
 igr2=  26,  27,
 &end
#
#    8 ASN  HB-           8 ASN  HD2-        4.50    (#    590:10  Unique    2.24, 3.20 A)
 &rst
  ixpk= 590, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 109, 110,
 igr2= 114, 115,
 &end
#
#   10 ILE  MD1           8 ASN  HD2-        4.50    (#    591:10  Unique    2.92, 5.14 A)
 &rst
  ixpk= 591, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 149, 150, 151,
 igr2= 114, 115,
 &end
#
#    0 AMB  10-2:592      8 ASN  HD2-        4.50    (#    592:10  Single Ambig)
 &rst
  ixpk= 592, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 109, 110,1272,1273,
 igr2= 114, 115,
 &end
#
#    0 AMB  10-2:593      8 ASN  HD2-        4.50    (#    593:10  Single Ambig)
 &rst
  ixpk= 593, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 140,1324,1325,1324,1325,
 igr2= 114, 115,
 &end
#
#    0 AMB  10-2:594      8 ASN  HD2-        3.50    (#    594:10  Single Ambig)
 &rst
  ixpk= 594, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1=1327,1328,1327,1328,1292,1293,1294,
 igr2= 114, 115,
 &end
#
#   10 ILE  MG2           8 ASN  HD2-        5.50    (#    595:10  Unique    3.91, 5.08 A)
 &rst
  ixpk= 595, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 142, 143, 144,
 igr2= 114, 115,
 &end
#
#   82 LYS  HG+           8 ASN  HD2-        5.50    (#    596:10  Unique    5.38, 6.86 A)
 &rst
  ixpk= 596, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1305,1306,
 igr2= 114, 115,
 &end
#
#    0 AMB  10-2:597      2 GLN  HE2-        4.50    (#    597:10  Single Ambig)
 &rst
  ixpk= 597, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1=1220,1221,1220,1221,1260,1261,1262,
 igr2=  26,  27,
 &end
#
#   14 THR  MG2           2 GLN  HE2-        5.50    (#    598:10  Unique    2.07, 4.92 A)
 &rst
  ixpk= 598, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 219, 220, 221,
 igr2=  26,  27,
 &end
#
#    0 AMB  10-2:600      0 AMB  10-1:600    5.50    (#    600:10  Double Ambig)
 &rst
  ixpk= 600, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1223,1224,1223,1224, 485, 486,
 igr2=  26,  27, 493, 494,
 &end
#
#    0 AMB  10-2:601     31 GLN  HE2-        4.50    (#    601:10  Single Ambig)
 &rst
  ixpk= 601, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 488, 489, 488, 489,
 igr2= 493, 494,
 &end
#
#   31 GLN  HB+          31 GLN  HE2-        5.50    (#    602:10  Unique    2.52, 3.61 A)
 &rst
  ixpk= 602, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 485, 486,
 igr2= 493, 494,
 &end
#
#   28 LEU  MDY          31 GLN  HE2-        5.50    (#    603:10  Unique    3.32, 5.32 A)
 &rst
  ixpk= 603, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 437, 438, 439, 441, 442, 443,
 igr2= 493, 494,
 &end
#
#    0 AMB  10-2:604     31 GLN  HE2-        4.50    (#    604:10  Single Ambig)
 &rst
  ixpk= 604, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1032,1033,1034,1036,1037,1038, 437, 438, 439, 441,
       442, 443,
 igr2= 493, 494,
 &end
#
#    9 GLN  HB-           9 GLN  HE2-        5.50    (#    607:10  Unique    2.29, 3.40 A)
 &rst
  ixpk= 607, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 123, 124,
 igr2= 131, 132,
 &end
#
#    0 AMB  10-2:608      9 GLN  HE2-        3.50    (#    608:10  Single Ambig)
 &rst
  ixpk= 608, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 126, 127, 126, 127,
 igr2= 131, 132,
 &end
#
#    9 GLN  HB+           9 GLN  HE2-        5.50    (#    609:10  Unique    2.29, 3.40 A)
 &rst
  ixpk= 609, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 123, 124,
 igr2= 131, 132,
 &end
#
#    0 AMB  10-2:610      9 GLN  HE2-        5.50    (#    610:10  Single Ambig)
 &rst
  ixpk= 610, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 563, 564, 858, 859, 860,
 igr2= 131, 132,
 &end
#
#    0 AMB  10-2:611      9 GLN  HE2-        5.50    (#    611:10  Single Ambig)
 &rst
  ixpk= 611, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 149, 150, 151, 146, 147,
 igr2= 131, 132,
 &end
#
#   15 ASN  HB-          15 ASN  HD2-        4.50    (#    612:10  Unique    2.21, 3.26 A)
 &rst
  ixpk= 612, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 231, 232,
 igr2= 236, 237,
 &end
#
#   75 ALA  MB           15 ASN  HD2-        4.50    (#    613:10  Unique    3.01, 4.42 A)
 &rst
  ixpk= 613, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1190,1191,1192,
 igr2= 236, 237,
 &end
#
#   74 HIS  HB-          15 ASN  HD2-        5.50    (#    614:10  Unique    3.93, 4.95 A)
 &rst
  ixpk= 614, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1173,1174,
 igr2= 236, 237,
 &end
#
#   46 ASP  HB-          47 ILE  HN          5.50    (#    615:10  Unique    2.70, 4.17 A)
 &rst
  ixpk= 615, nxpk= 10, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 744, 745,
 &end
#
#   44 ARG  HB+          47 ILE  HN          4.50    (#    616:10  Unique    2.40, 3.78 A)
 &rst
  ixpk= 616, nxpk= 10, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 703, 704,
 &end
#
#   47 ILE  MD1          47 ILE  HN          3.50    (#    617:10  Unique    2.11, 3.46 A)
 &rst
  ixpk= 617, nxpk= 10, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 765, 766, 767,
 &end
#
#   44 ARG  HB-          47 ILE  HN          4.50    (#    618:10  Unique    2.40, 3.78 A)
 &rst
  ixpk= 618, nxpk= 10, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 703, 704,
 &end
#
#    0 AMB  10-2:619     47 ILE  HN          4.50    (#    619:10  Single Ambig)
 &rst
  ixpk= 619, nxpk= 10, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 706, 707, 706, 707, 245, 246,
 &end
#
#   47 ILE  HG1-         47 ILE  HN          3.50    (#    620:10  Unique    1.98, 3.59 A)
 &rst
  ixpk= 620, nxpk= 10, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 762, 763,
 &end
#
#    0 AMB  10-2:621     47 ILE  HN          4.50    (#    621:10  Single Ambig)
 &rst
  ixpk= 621, nxpk= 10, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   53 THR  MG2          57 GLN  HE2-        5.50    (#    624:10  Unique    2.63, 3.92 A)
 &rst
  ixpk= 624, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 858, 859, 860,
 igr2= 926, 927,
 &end
#
#   33 PRO  HB-          57 GLN  HE2-        5.50    (#    625:10  Unique    4.17, 6.06 A)
 &rst
  ixpk= 625, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 525, 526,
 igr2= 926, 927,
 &end
#
#   54 THR  MG2          57 GLN  HE2-        4.50    (#    626:10  Unique    3.89, 5.28 A)
 &rst
  ixpk= 626, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 872, 873, 874,
 igr2= 926, 927,
 &end
#
#   60 ALA  HA           61 ALA  HN          4.50    (#    627:10  Unique    3.55, 3.55 A)
 &rst
  ixpk= 627, nxpk= 10, iat= 958, 966, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 LEU  HA           28 LEU  HN          4.50    (#    628:10  Unique    2.99, 3.16 A)
 &rst
  ixpk= 628, nxpk= 10, iat= 383, 428, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:629     28 LEU  HN          3.50    (#    629:10  Single Ambig)
 &rst
  ixpk= 629, nxpk= 10, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 430, 413, 366,
 &end
#
#   31 GLN  HA           31 GLN  HN          2.80    (#    630:10  Unique    2.82, 2.82 A)
 &rst
  ixpk= 630, nxpk= 10, iat= 483, 481, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:632      8 ASN  HD2-        4.50    (#    632:10  Single Ambig)
 &rst
  ixpk= 632, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1300,1322, 121,
 igr2= 114, 115,
 &end
#
#   28 LEU  HA           31 GLN  HE2-        4.50    (#    634:10  Unique    2.72, 3.39 A)
 &rst
  ixpk= 634, nxpk= 10, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 493, 494,
 &end
#
#   74 HIS  HA           15 ASN  HD2-        3.50    (#    636:10  Unique    2.61, 3.14 A)
 &rst
  ixpk= 636, nxpk= 10, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 236, 237,
 &end
#
#   15 ASN  HB+          15 ASN  HD2-        3.50    (#    637:10  Unique    2.21, 3.26 A)
 &rst
  ixpk= 637, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 231, 232,
 igr2= 236, 237,
 &end
#
#   47 ILE  HA           47 ILE  HN          4.50    (#    638:10  Unique    2.91, 2.93 A)
 &rst
  ixpk= 638, nxpk= 10, iat= 754, 752, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 THR  HB           57 GLN  HE2-        5.50    (#    640:10  Unique    2.53, 3.17 A)
 &rst
  ixpk= 640, nxpk= 10, iat= 856,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 926, 927,
 &end
#
#   50 VAL  HA           37 GLU  HN          5.50    (#    641:10  Unique    4.51, 4.54 A)
 &rst
  ixpk= 641, nxpk= 10, iat= 803, 581, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:642     37 GLU  HN          5.50    (#    642:10  Single Ambig)
 &rst
  ixpk= 642, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 834, 541,
 &end
#
#    0 AMB  10-2:643     37 GLU  HN          3.50    (#    643:10  Single Ambig)
 &rst
  ixpk= 643, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 583, 561,
 &end
#
#    0 AMB  10-2:644      0 AMB  10-1:644    4.50    (#    644:10  Double Ambig)
 &rst
  ixpk= 644, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 469, 413, 483,
 igr2= 476, 477, 476, 477, 476, 477,
 &end
#
#    0 AMB  10-2:648     73 THR  HN          5.50    (#    648:10  Single Ambig)
 &rst
  ixpk= 648, nxpk= 10, iat=  -1,1155, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1157,1159,
 &end
#
#   65 LEU  HA           66 GLN  HN          4.50    (#    649:10  Unique    3.35, 3.37 A)
 &rst
  ixpk= 649, nxpk= 10, iat=1025,1042, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 GLN  HA           66 GLN  HN          3.50    (#    650:10  Unique    2.83, 2.86 A)
 &rst
  ixpk= 650, nxpk= 10, iat=1044,1042, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 PHE  HA           35 PHE  HN          5.50    (#    651:10  Unique    2.88, 2.91 A)
 &rst
  ixpk= 651, nxpk= 10, iat= 541, 539, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 GLY  HA-          35 PHE  HN          4.50    (#    652:10  Unique    3.07, 3.34 A)
 &rst
  ixpk= 652, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 534, 535,
 &end
#
#   33 PRO  HA           35 PHE  HN          4.50    (#    653:10  Unique    4.02, 4.19 A)
 &rst
  ixpk= 653, nxpk= 10, iat= 528, 539, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:654     35 PHE  HN          4.50    (#    654:10  Single Ambig)
 &rst
  ixpk= 654, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 469, 519, 520,
 &end
#
#   32 PHE  HB+          35 PHE  HN          4.50    (#    655:10  Unique    2.91, 3.66 A)
 &rst
  ixpk= 655, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 502, 503,
 &end
#
#   21 ASN  HA           21 ASN  HN          3.50    (#    656:10  Unique    2.87, 2.90 A)
 &rst
  ixpk= 656, nxpk= 10, iat= 320, 318, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:657     21 ASN  HN          4.50    (#    657:10  Single Ambig)
 &rst
  ixpk= 657, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 308, 366,
 &end
#
#   20 THR  HA           21 ASN  HN          2.80    (#    658:10  Unique    2.25, 2.31 A)
 &rst
  ixpk= 658, nxpk= 10, iat= 306, 318, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   54 THR  HB           57 GLN  HN          5.50    (#    659:10  Unique    3.01, 3.10 A)
 &rst
  ixpk= 659, nxpk= 10, iat= 870, 914, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:660     57 GLN  HN          3.50    (#    660:10  Single Ambig)
 &rst
  ixpk= 660, nxpk= 10, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 897, 935, 936,
 &end
#
#   57 GLN  HA           57 GLN  HN          3.50    (#    661:10  Unique    2.89, 2.91 A)
 &rst
  ixpk= 661, nxpk= 10, iat= 916, 914, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 ASN  HA           60 ALA  HN          4.50    (#    663:10  Unique    3.56, 3.57 A)
 &rst
  ixpk= 663, nxpk= 10, iat= 944, 956, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 LEU  HA           60 ALA  HN          4.50    (#    664:10  Unique    3.87, 3.99 A)
 &rst
  ixpk= 664, nxpk= 10, iat= 897, 956, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 ALA  HA           60 ALA  HN          3.50    (#    665:10  Unique    2.84, 2.84 A)
 &rst
  ixpk= 665, nxpk= 10, iat= 958, 956, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 ALA  HA           64 ALA  HN          3.50    (#    666:10  Unique    2.83, 2.83 A)
 &rst
  ixpk= 666, nxpk= 10, iat=1015,1013, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 GLU  HA           64 ALA  HN          3.50    (#    667:10  Unique    3.52, 3.54 A)
 &rst
  ixpk= 667, nxpk= 10, iat=1000,1013, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 THR  HA           20 THR  HN          3.50    (#    668:10  Unique    2.85, 2.87 A)
 &rst
  ixpk= 668, nxpk= 10, iat= 306, 304, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:671     20 THR  HN          3.50    (#    671:10  Single Ambig)
 &rst
  ixpk= 671, nxpk= 10, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 308, 291,
 &end
#
#   18 GLU  HA           20 THR  HN          4.50    (#    672:10  Unique    3.18, 3.45 A)
 &rst
  ixpk= 672, nxpk= 10, iat= 276, 304, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 LEU  HA           25 LEU  HN          3.50    (#    673:10  Unique    2.89, 2.90 A)
 &rst
  ixpk= 673, nxpk= 10, iat= 383, 381, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 MET  HA           25 LEU  HN          3.50    (#    674:10  Unique    3.54, 3.55 A)
 &rst
  ixpk= 674, nxpk= 10, iat= 366, 381, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 GLU  HA           25 LEU  HN          4.50    (#    675:10  Unique    3.51, 3.66 A)
 &rst
  ixpk= 675, nxpk= 10, iat= 334, 381, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   43 ASN  HA           43 ASN  HD2+        4.50    (#    677:10  Unique    2.48, 4.51 A)
 &rst
  ixpk= 677, nxpk= 10, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 694, 695,
 &end
#
#    5 GLN  HA            5 GLN  HE2+        4.50    (#    678:10  Unique    2.29, 3.21 A)
 &rst
  ixpk= 678, nxpk= 10, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  72,  73,
 &end
#
#    0 AMB  10-2:679      0 AMB  10-1:679    5.50    (#    679:10  Double Ambig)
 &rst
  ixpk= 679, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1258,  16,
 igr2=  26,  27,  26,  27,
 &end
#
#    8 ASN  HA            8 ASN  HD2+        4.50    (#    681:10  Unique    4.30, 4.73 A)
 &rst
  ixpk= 681, nxpk= 10, iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 114, 115,
 &end
#
#    0 AMB  10-2:682      0 AMB  10-1:682    5.50    (#    682:10  Double Ambig)
 &rst
  ixpk= 682, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1300,1322, 121,
 igr2= 114, 115, 114, 115, 114, 115,
 &end
#
#   54 THR  HA            9 GLN  HE2+        5.50    (#    683:10  Unique    4.12, 4.34 A)
 &rst
  ixpk= 683, nxpk= 10, iat= 868,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 131, 132,
 &end
#
#    0 AMB  10-2:685      0 AMB  10-1:685    4.50    (#    685:10  Double Ambig)
 &rst
  ixpk= 685, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 854, 121,
 igr2= 131, 132, 131, 132,
 &end
#
#    0 AMB  10-2:686     30 ASN  HD2-        4.50    (#    686:10  Single Ambig)
 &rst
  ixpk= 686, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 469, 413, 483,
 igr2= 476, 477,
 &end
#
#   53 THR  HB           57 GLN  HE2+        5.50    (#    687:10  Unique    2.53, 3.17 A)
 &rst
  ixpk= 687, nxpk= 10, iat= 856,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 926, 927,
 &end
#
#   34 GLY  HA-          57 GLN  HE2+        4.50    (#    688:10  Unique    2.21, 3.67 A)
 &rst
  ixpk= 688, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 534, 535,
 igr2= 926, 927,
 &end
#
#    0 AMB  10-2:690     70 ILE  HN          2.80    (#    690:10  Single Ambig)
 &rst
  ixpk= 690, nxpk= 10, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1088,1188,
 &end
#
#   70 ILE  HA           70 ILE  HN          3.50    (#    691:10  Unique    2.89, 2.90 A)
 &rst
  ixpk= 691, nxpk= 10, iat=1110,1108, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 LYS  HA           69 LYS  HN          3.50    (#    692:10  Unique    2.88, 2.89 A)
 &rst
  ixpk= 692, nxpk= 10, iat=1088,1086, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 PHE  HA           69 LYS  HN          3.50    (#    693:10  Unique    2.15, 2.19 A)
 &rst
  ixpk= 693, nxpk= 10, iat=1068,1086, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:694     36 LYS  HN          3.50    (#    694:10  Single Ambig)
 &rst
  ixpk= 694, nxpk= 10, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 541, 834,
 &end
#
#   36 LYS  HA           36 LYS  HN          3.50    (#    695:10  Unique    2.97, 2.99 A)
 &rst
  ixpk= 695, nxpk= 10, iat= 561, 559, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:697     75 ALA  HN          5.50    (#    697:10  Single Ambig)
 &rst
  ixpk= 697, nxpk= 10, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1157,1159,
 &end
#
#   77 LYS  HA           77 LYS  HN          3.50    (#    698:10  Unique    2.97, 2.98 A)
 &rst
  ixpk= 698, nxpk= 10, iat=1215,1213, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   76 MET  HA           77 LYS  HN          2.80    (#    699:10  Unique    2.21, 2.25 A)
 &rst
  ixpk= 699, nxpk= 10, iat=1198,1213, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   15 ASN  HB+          77 LYS  HN          4.50    (#    700:10  Unique    3.04, 3.86 A)
 &rst
  ixpk= 700, nxpk= 10, iat=  -1,1213, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 231, 232,
 &end
#
#   74 HIS  HA           74 HIS  HN          3.50    (#    707:10  Unique    2.97, 2.98 A)
 &rst
  ixpk= 707, nxpk= 10, iat=1171,1169, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:708     74 HIS  HN          4.50    (#    708:10  Single Ambig)
 &rst
  ixpk= 708, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1157,1159,
 &end
#
#    0 AMB  10-2:709     74 HIS  HN          3.50    (#    709:10  Single Ambig)
 &rst
  ixpk= 709, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1131,1088,1188,
 &end
#
#   58 SER  HB-          59 ASN  HN          5.50    (#    710:10  Unique    2.48, 3.73 A)
 &rst
  ixpk= 710, nxpk= 10, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 935, 936,
 &end
#
#   58 SER  HG           59 ASN  HN          4.50    (#    711:10  Unique    3.23, 3.38 A)
 &rst
  ixpk= 711, nxpk= 10, iat= 938, 942, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 THR  HB           56 LEU  HN          3.50    (#    712:10  Unique    2.31, 2.48 A)
 &rst
  ixpk= 712, nxpk= 10, iat= 870, 895, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 THR  HA           56 LEU  HN          4.50    (#    713:10  Unique    4.07, 4.13 A)
 &rst
  ixpk= 713, nxpk= 10, iat= 868, 895, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:715     56 LEU  HN          3.50    (#    715:10  Single Ambig)
 &rst
  ixpk= 715, nxpk= 10, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 897, 882,
 &end
#
#   59 ASN  HA           59 ASN  HN          3.50    (#    716:10  Unique    2.80, 2.81 A)
 &rst
  ixpk= 716, nxpk= 10, iat= 944, 942, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:717     59 ASN  HN          3.50    (#    717:10  Single Ambig)
 &rst
  ixpk= 717, nxpk= 10, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 897, 882,
 &end
#
#    0 AMB  10-2:718     59 ASN  HN          4.50    (#    718:10  Single Ambig)
 &rst
  ixpk= 718, nxpk= 10, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 916, 958,
 &end
#
#   32 PHE  HA           32 PHE  HN          4.50    (#    719:10  Unique    2.97, 2.98 A)
 &rst
  ixpk= 719, nxpk= 10, iat= 500, 498, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 PHE  HA           32 PHE  HN          4.50    (#    720:10  Unique    3.89, 3.96 A)
 &rst
  ixpk= 720, nxpk= 10, iat= 449, 498, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:721     32 PHE  HN          3.50    (#    721:10  Single Ambig)
 &rst
  ixpk= 721, nxpk= 10, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 469, 483, 519, 520,
 &end
#
#   32 PHE  HB+          32 PHE  HN          3.50    (#    722:10  Unique    2.60, 3.19 A)
 &rst
  ixpk= 722, nxpk= 10, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 502, 503,
 &end
#
#    0 AMB  10-2:723     10 ILE  HN          3.50    (#    723:10  Single Ambig)
 &rst
  ixpk= 723, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 138, 938,
 &end
#
#    8 ASN  HA           10 ILE  HN          4.50    (#    724:10  Unique    3.74, 4.11 A)
 &rst
  ixpk= 724, nxpk= 10, iat= 107, 136, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:725     10 ILE  HN          4.50    (#    725:10  Single Ambig)
 &rst
  ixpk= 725, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 121, 935, 936,
 &end
#
#    0 AMB  10-2:726     48 ALA  HN          4.50    (#    726:10  Single Ambig)
 &rst
  ixpk= 726, nxpk= 10, iat=  -1, 771, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 176, 196,
 &end
#
#   47 ILE  HA           48 ALA  HN          3.50    (#    727:10  Unique    2.33, 2.41 A)
 &rst
  ixpk= 727, nxpk= 10, iat= 754, 771, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   14 THR  HA           48 ALA  HN          5.50    (#    728:10  Unique    3.82, 3.95 A)
 &rst
  ixpk= 728, nxpk= 10, iat= 215, 771, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:729      0 AMB  10-1:729    3.50    (#    729:10  Double Ambig)
 &rst
  ixpk= 729, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 773, 944,
 igr2= 771, 976,
 &end
#
#   42 PRO  HA           44 ARG  HN          4.50    (#    731:10  Unique    3.41, 4.11 A)
 &rst
  ixpk= 731, nxpk= 10, iat= 681, 699, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   43 ASN  HA           44 ARG  HN          3.50    (#    734:10  Unique    3.30, 3.47 A)
 &rst
  ixpk= 734, nxpk= 10, iat= 687, 699, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 LYS  HA           62 LYS  HN          4.50    (#    735:10  Unique    2.83, 2.84 A)
 &rst
  ixpk= 735, nxpk= 10, iat= 978, 976, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:736     27 MET  HN          2.80    (#    736:10  Single Ambig)
 &rst
  ixpk= 736, nxpk= 10, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 413, 366,
 &end
#
#    0 AMB  10-2:737     27 MET  HN          4.50    (#    737:10  Single Ambig)
 &rst
  ixpk= 737, nxpk= 10, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 349, 383,
 &end
#
#   26 SER  HA           27 MET  HN          4.50    (#    738:10  Unique    3.60, 3.64 A)
 &rst
  ixpk= 738, nxpk= 10, iat= 402, 411, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 SER  HG           58 SER  HN          4.50    (#    739:10  Unique    1.81, 3.18 A)
 &rst
  ixpk= 739, nxpk= 10, iat= 938, 931, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 SER  HB+          58 SER  HN          2.80    (#    740:10  Unique    2.69, 3.16 A)
 &rst
  ixpk= 740, nxpk= 10, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 935, 936,
 &end
#
#    3 THR  HB            3 THR  HN          5.50    (#    743:10  Unique    2.62, 3.25 A)
 &rst
  ixpk= 743, nxpk= 10, iat=  35,  31, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    2 GLN  HA            3 THR  HN          3.50    (#    747:10  Unique    2.21, 2.39 A)
 &rst
  ixpk= 747, nxpk= 10, iat=  16,  31, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   14 THR  HB           16 LEU  HN          5.50    (#    748:10  Unique    4.81, 4.87 A)
 &rst
  ixpk= 748, nxpk= 10, iat= 217, 241, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 THR  HA           16 LEU  HN          4.50    (#    749:10  Unique    3.34, 3.39 A)
 &rst
  ixpk= 749, nxpk= 10, iat= 215, 241, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   46 ASP  HA           16 LEU  HN          4.50    (#    751:10  Unique    2.71, 3.04 A)
 &rst
  ixpk= 751, nxpk= 10, iat= 742, 241, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:752     16 LEU  HN          3.50    (#    752:10  Single Ambig)
 &rst
  ixpk= 752, nxpk= 10, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 229, 243,
 &end
#
#   60 ALA  HA           59 ASN  HD2+        5.50    (#    753:10  Unique    3.53, 4.31 A)
 &rst
  ixpk= 753, nxpk= 10, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 951, 952,
 &end
#
#    0 AMB  10-2:754      0 AMB  10-1:754    4.50    (#    754:10  Double Ambig)
 &rst
  ixpk= 754, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 897,1015,
 igr2= 951, 952,1023,
 &end
#
#   65 LEU  HA           65 LEU  HN          3.50    (#    755:10  Unique    2.97, 2.98 A)
 &rst
  ixpk= 755, nxpk= 10, iat=1025,1023, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:756      0 AMB  10-1:756    4.50    (#    756:10  Double Ambig)
 &rst
  ixpk= 756, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1000,1044,
 igr2=1023, 951, 952,
 &end
#
#   62 LYS  HA           63 GLU  HN          5.50    (#    757:10  Unique    3.61, 3.64 A)
 &rst
  ixpk= 757, nxpk= 10, iat= 978, 998, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   64 ALA  HA           63 GLU  HN          5.50    (#    758:10  Unique    5.34, 5.37 A)
 &rst
  ixpk= 758, nxpk= 10, iat=1015, 998, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 ALA  HA           63 GLU  HN          3.50    (#    759:10  Unique    3.24, 3.38 A)
 &rst
  ixpk= 759, nxpk= 10, iat= 958, 998, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 GLU  HA           63 GLU  HN          3.50    (#    760:10  Unique    2.81, 2.82 A)
 &rst
  ixpk= 760, nxpk= 10, iat=1000, 998, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 ASN  HA           63 GLU  HN          5.50    (#    761:10  Unique    3.90, 3.98 A)
 &rst
  ixpk= 761, nxpk= 10, iat= 944, 998, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 LEU  HA           29 PHE  HN          3.50    (#    762:10  Unique    3.55, 3.56 A)
 &rst
  ixpk= 762, nxpk= 10, iat= 430, 447, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 SER  HA           29 PHE  HN          4.50    (#    763:10  Unique    3.62, 3.80 A)
 &rst
  ixpk= 763, nxpk= 10, iat= 402, 447, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 PHE  HA           29 PHE  HN          3.50    (#    764:10  Unique    2.88, 2.89 A)
 &rst
  ixpk= 764, nxpk= 10, iat= 449, 447, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 LEU  HA           31 GLN  HE2+        3.50    (#    765:10  Unique    2.72, 3.39 A)
 &rst
  ixpk= 765, nxpk= 10, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 493, 494,
 &end
#
#   77 LYS  HA           66 GLN  HE2+        5.50    (#    766:10  Unique    3.05, 4.68 A)
 &rst
  ixpk= 766, nxpk= 10, iat=1215,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1054,1055,
 &end
#
#   74 HIS  HA           15 ASN  HD2+        3.50    (#    768:10  Unique    2.61, 3.14 A)
 &rst
  ixpk= 768, nxpk= 10, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 236, 237,
 &end
#
#   76 MET  HA           15 ASN  HD2+        5.50    (#    769:10  Unique    4.19, 5.06 A)
 &rst
  ixpk= 769, nxpk= 10, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 236, 237,
 &end
#
#   15 ASN  HB+          15 ASN  HD2+        3.50    (#    770:10  Unique    2.21, 3.26 A)
 &rst
  ixpk= 770, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 231, 232,
 igr2= 236, 237,
 &end
#
#    0 AMB  10-2:772     71 THR  HN          4.50    (#    772:10  Single Ambig)
 &rst
  ixpk= 772, nxpk= 10, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1131,1129,1088,
 &end
#
#   70 ILE  HA           71 THR  HN          4.50    (#    773:10  Unique    3.51, 3.53 A)
 &rst
  ixpk= 773, nxpk= 10, iat=1110,1127, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 THR  HA           54 THR  HN          3.50    (#    774:10  Unique    2.95, 2.95 A)
 &rst
  ixpk= 774, nxpk= 10, iat= 868, 866, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 THR  HB           54 THR  HN          3.50    (#    775:10  Unique    2.38, 2.49 A)
 &rst
  ixpk= 775, nxpk= 10, iat= 856, 866, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 THR  HB           54 THR  HN          4.50    (#    776:10  Unique    3.55, 3.64 A)
 &rst
  ixpk= 776, nxpk= 10, iat= 870, 866, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:777     54 THR  HN          3.50    (#    777:10  Single Ambig)
 &rst
  ixpk= 777, nxpk= 10, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 854, 121,
 &end
#
#   62 LYS  HN           61 ALA  HN          3.50    (#    778:10  Unique    2.70, 2.72 A)
 &rst
  ixpk= 778, nxpk= 10, iat= 976, 966, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 MET  HN           28 LEU  HN          3.50    (#    779:10  Unique    2.68, 2.78 A)
 &rst
  ixpk= 779, nxpk= 10, iat= 411, 428, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 ASN  HN           28 LEU  HN          5.50    (#    780:10  Unique    3.81, 3.91 A)
 &rst
  ixpk= 780, nxpk= 10, iat= 467, 428, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:781     59 ASN  HD2-        5.50    (#    781:10  Single Ambig)
 &rst
  ixpk= 781, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 942, 998,
 igr2= 951, 952,
 &end
#
#   30 ASN  HN           31 GLN  HN          3.50    (#    782:10  Unique    2.91, 2.94 A)
 &rst
  ixpk= 782, nxpk= 10, iat= 467, 481, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:783      0 AMB  10-1:783    5.50    (#    783:10  Double Ambig)
 &rst
  ixpk= 783, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 347,  14, 213,
 igr2= 327, 328,  26,  27,
 &end
#
#   75 ALA  HN           15 ASN  HD2-        3.50    (#    784:10  Unique    2.79, 2.90 A)
 &rst
  ixpk= 784, nxpk= 10, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 236, 237,
 &end
#
#   51 GLU  HN           37 GLU  HN          3.50    (#    785:10  Unique    2.59, 2.66 A)
 &rst
  ixpk= 785, nxpk= 10, iat= 817, 581, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:786     37 GLU  HN          4.50    (#    786:10  Single Ambig)
 &rst
  ixpk= 786, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 596, 832,
 &end
#
#   36 LYS  HN           37 GLU  HN          3.50    (#    787:10  Unique    2.27, 2.33 A)
 &rst
  ixpk= 787, nxpk= 10, iat= 559, 581, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   46 ASP  HN           47 ILE  HN          3.50    (#    788:10  Unique    1.79, 2.45 A)
 &rst
  ixpk= 788, nxpk= 10, iat= 740, 752, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 ALA  HN           47 ILE  HN          5.50    (#    789:10  Unique    4.37, 4.42 A)
 &rst
  ixpk= 789, nxpk= 10, iat= 771, 752, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 ALA  HN           61 ALA  HN          3.50    (#    790:10  Unique    2.74, 2.77 A)
 &rst
  ixpk= 790, nxpk= 10, iat= 956, 966, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   29 PHE  HN           28 LEU  HN          3.50    (#    791:10  Unique    2.67, 2.76 A)
 &rst
  ixpk= 791, nxpk= 10, iat= 447, 428, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 PHE  HN           31 GLN  HN          3.50    (#    793:10  Unique    2.81, 2.84 A)
 &rst
  ixpk= 793, nxpk= 10, iat= 498, 481, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   80 PHE  HD            8 ASN  HN          3.50    (#    800:10  Unique    2.22, 3.75 A)
 &rst
  ixpk= 800, nxpk= 10, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1276,1284,
 &end
#
#    9 GLN  HN           10 ILE  HN          3.50    (#    801:10  Unique    2.58, 3.01 A)
 &rst
  ixpk= 801, nxpk= 10, iat= 119, 136, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 SER  HN           27 MET  HN          3.50    (#    802:10  Unique    2.69, 2.83 A)
 &rst
  ixpk= 802, nxpk= 10, iat= 400, 411, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   78 ILE  HN           66 GLN  HE2-        4.50    (#    803:10  Unique    2.24, 3.15 A)
 &rst
  ixpk= 803, nxpk= 10, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1054,1055,
 &end
#
#   34 GLY  HN           35 PHE  HN          3.50    (#    804:10  Unique    2.00, 2.22 A)
 &rst
  ixpk= 804, nxpk= 10, iat= 532, 539, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 LEU  HN           48 ALA  HN          3.50    (#    805:10  Unique    2.68, 2.78 A)
 &rst
  ixpk= 805, nxpk= 10, iat= 194, 771, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   43 ASN  HN           44 ARG  HN          3.50    (#    806:10  Unique    1.77, 2.21 A)
 &rst
  ixpk= 806, nxpk= 10, iat= 685, 699, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   18 GLU  HN           20 THR  HN          4.50    (#    807:10  Unique    4.33, 4.37 A)
 &rst
  ixpk= 807, nxpk= 10, iat= 274, 304, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 ASN  HN           16 LEU  HN          3.50    (#    808:10  Unique    2.73, 2.78 A)
 &rst
  ixpk= 808, nxpk= 10, iat= 227, 241, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 THR  HN           54 THR  HN          3.50    (#    809:10  Unique    2.71, 2.75 A)
 &rst
  ixpk= 809, nxpk= 10, iat= 852, 866, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 SER  HN           25 LEU  HN          3.50    (#    810:10  Unique    2.60, 2.63 A)
 &rst
  ixpk= 810, nxpk= 10, iat= 400, 381, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 GLU  HN           56 LEU  HN          4.50    (#    811:10  Unique    2.68, 2.72 A)
 &rst
  ixpk= 811, nxpk= 10, iat= 880, 895, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   76 MET  HN           70 ILE  HN          4.50    (#    812:10  Unique    3.05, 3.10 A)
 &rst
  ixpk= 812, nxpk= 10, iat=1196,1108, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   76 MET  HN           77 LYS  HN          5.50    (#    813:10  Unique    4.60, 4.64 A)
 &rst
  ixpk= 813, nxpk= 10, iat=1196,1213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   78 ILE  HN           66 GLN  HE2+        4.50    (#    814:10  Unique    2.24, 3.15 A)
 &rst
  ixpk= 814, nxpk= 10, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1054,1055,
 &end
#
#   22 GLU  HN           21 ASN  HN          5.50    (#    815:10  Unique    4.29, 4.31 A)
 &rst
  ixpk= 815, nxpk= 10, iat= 332, 318, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 GLU  HN           21 ASN  HD2+        5.50    (#    816:10  Unique    3.27, 4.11 A)
 &rst
  ixpk= 816, nxpk= 10, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 327, 328,
 &end
#
#   68 PHE  HN           66 GLN  HN          5.50    (#    817:10  Unique    4.56, 4.63 A)
 &rst
  ixpk= 817, nxpk= 10, iat=1066,1042, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   67 GLY  HN           66 GLN  HN          5.50    (#    818:10  Unique    4.53, 4.57 A)
 &rst
  ixpk= 818, nxpk= 10, iat=1059,1042, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 GLN  HE2+         66 GLN  HN          5.50    (#    819:10  Unique    5.71, 6.15 A)
 &rst
  ixpk= 819, nxpk= 10, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1054,1055,
 &end
#
#   36 LYS  HN           35 PHE  HN          4.50    (#    820:10  Unique    4.53, 4.54 A)
 &rst
  ixpk= 820, nxpk= 10, iat= 559, 539, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 MET  HN           21 ASN  HN          4.50    (#    821:10  Unique    3.25, 3.43 A)
 &rst
  ixpk= 821, nxpk= 10, iat= 364, 318, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 SER  HN           57 GLN  HN          4.50    (#    822:10  Unique    2.56, 2.61 A)
 &rst
  ixpk= 822, nxpk= 10, iat= 931, 914, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 ASN  HN           57 GLN  HN          5.50    (#    823:10  Unique    3.88, 3.99 A)
 &rst
  ixpk= 823, nxpk= 10, iat= 942, 914, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 THR  HN           57 GLN  HN          4.50    (#    824:10  Unique    3.60, 3.79 A)
 &rst
  ixpk= 824, nxpk= 10, iat= 866, 914, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 SER  HN           60 ALA  HN          5.50    (#    825:10  Unique    4.23, 4.31 A)
 &rst
  ixpk= 825, nxpk= 10, iat= 931, 956, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 ASN  HN           60 ALA  HN          3.50    (#    826:10  Unique    2.82, 2.89 A)
 &rst
  ixpk= 826, nxpk= 10, iat= 942, 956, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 GLU  HN           64 ALA  HN          2.80    (#    827:10  Unique    2.75, 2.79 A)
 &rst
  ixpk= 827, nxpk= 10, iat= 998,1013, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   24 MET  HN           25 LEU  HN          3.50    (#    828:10  Unique    2.52, 2.60 A)
 &rst
  ixpk= 828, nxpk= 10, iat= 364, 381, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 MET  HN           25 LEU  HN          5.50    (#    829:10  Unique    4.18, 4.28 A)
 &rst
  ixpk= 829, nxpk= 10, iat= 411, 381, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    5 GLN  HN            5 GLN  HE2+        5.50    (#    830:10  Unique    3.95, 5.05 A)
 &rst
  ixpk= 830, nxpk= 10, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  72,  73,
 &end
#
#    0 AMB  10-2:831      0 AMB  10-1:831    5.50    (#    831:10  Double Ambig)
 &rst
  ixpk= 831, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 347,  14, 213,
 igr2= 327, 328,  26,  27,  26,  27,
 &end
#
#   30 ASN  HN           30 ASN  HD2-        5.50    (#    832:10  Unique    3.40, 5.18 A)
 &rst
  ixpk= 832, nxpk= 10, iat= 467,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 476, 477,
 &end
#
#   50 VAL  MGX          11 LEU  HN          5.50    (#    833:10  Unique    4.38, 5.47 A)
 &rst
  ixpk= 833, nxpk= 10, iat=  -1, 155, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 807, 808, 809, 811, 812, 813,
 &end
#
#    8 ASN  HD2+          9 GLN  HN          5.50    (#    835:10  Unique    3.65, 4.55 A)
 &rst
  ixpk= 835, nxpk= 10, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 114, 115,
 &end
#
#   55 GLU  HG-           9 GLN  HN          3.50    (#    836:10  Unique    2.20, 2.98 A)
 &rst
  ixpk= 836, nxpk= 10, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 887, 888,
 &end
#
#   49 PHE  HD           12 PHE  HN          5.50    (#    837:10  Unique    4.26, 6.33 A)
 &rst
  ixpk= 837, nxpk= 10, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 789, 797,
 &end
#
#    0 AMB  10-2:838     12 PHE  HN          5.50    (#    838:10  Single Ambig)
 &rst
  ixpk= 838, nxpk= 10, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 114, 115,1276,1284,
 &end
#
#   11 LEU  HN           12 PHE  HN          5.50    (#    839:10  Unique    4.35, 4.43 A)
 &rst
  ixpk= 839, nxpk= 10, iat= 155, 174, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   81 ALA  HA           12 PHE  HN          5.50    (#    840:10  Unique    3.61, 3.98 A)
 &rst
  ixpk= 840, nxpk= 10, iat=1290, 174, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:841     12 PHE  HN          5.50    (#    841:10  Single Ambig)
 &rst
  ixpk= 841, nxpk= 10, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 142, 143, 144,1245,1246,
 &end
#
#    0 AMB  10-2:842     12 PHE  HN          5.50    (#    842:10  Single Ambig)
 &rst
  ixpk= 842, nxpk= 10, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 805, 198, 199, 201,
 &end
#
#   21 ASN  HD2+         22 GLU  HN          5.50    (#    843:10  Unique    3.27, 4.11 A)
 &rst
  ixpk= 843, nxpk= 10, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 327, 328,
 &end
#
#   21 ASN  HN           22 GLU  HN          5.50    (#    844:10  Unique    4.29, 4.31 A)
 &rst
  ixpk= 844, nxpk= 10, iat= 318, 332, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 ASN  HD2-         22 GLU  HN          5.50    (#    845:10  Unique    3.27, 4.11 A)
 &rst
  ixpk= 845, nxpk= 10, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 327, 328,
 &end
#
#    0 AMB  10-2:846     22 GLU  HN          5.50    (#    846:10  Single Ambig)
 &rst
  ixpk= 846, nxpk= 10, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 310, 311, 312, 775, 776, 777,
 &end
#
#   49 PHE  HD           39 ARG  HN          7.00    (#    847:10  Unique    4.87, 6.04 A)
 &rst
  ixpk= 847, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 789, 797,
 &end
#
#   45 HIS  HN           46 ASP  HN          4.50    (#    848:10  Unique    1.84, 2.59 A)
 &rst
  ixpk= 848, nxpk= 10, iat= 723, 740, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   47 ILE  HG1-         46 ASP  HN          5.50    (#    851:10  Unique    3.54, 5.55 A)
 &rst
  ixpk= 851, nxpk= 10, iat=  -1, 740, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 762, 763,
 &end
#
#    0 AMB  10-2:852     46 ASP  HN          5.50    (#    852:10  Single Ambig)
 &rst
  ixpk= 852, nxpk= 10, iat=  -1, 740, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   47 ILE  MD1          46 ASP  HN          4.50    (#    853:10  Unique    3.56, 4.86 A)
 &rst
  ixpk= 853, nxpk= 10, iat=  -1, 740, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 765, 766, 767,
 &end
#
#   12 PHE  HB-          79 THR  HN          5.50    (#    854:10  Unique    3.46, 4.46 A)
 &rst
  ixpk= 854, nxpk= 10, iat=  -1,1254, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 178, 179,
 &end
#
#   12 PHE  HB+          79 THR  HN          5.50    (#    855:10  Unique    3.46, 4.46 A)
 &rst
  ixpk= 855, nxpk= 10, iat=  -1,1254, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 178, 179,
 &end
#
#    0 AMB  10-2:856     79 THR  HN          5.50    (#    856:10  Single Ambig)
 &rst
  ixpk= 856, nxpk= 10, iat=  -1,1254, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 989, 990,  21,  22,
 &end
#
#    0 AMB  10-2:857     51 GLU  HN          5.50    (#    857:10  Single Ambig)
 &rst
  ixpk= 857, nxpk= 10, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 146, 147, 149, 150, 151,
 &end
#
#   36 LYS  HB+          51 GLU  HN          4.50    (#    858:10  Unique    4.14, 5.12 A)
 &rst
  ixpk= 858, nxpk= 10, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 563, 564,
 &end
#
#    0 AMB  10-2:859     51 GLU  HN          4.50    (#    859:10  Single Ambig)
 &rst
  ixpk= 859, nxpk= 10, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 602, 603, 604, 606, 607, 608, 563, 564,
 &end
#
#    0 AMB  10-2:860     51 GLU  HN          4.50    (#    860:10  Single Ambig)
 &rst
  ixpk= 860, nxpk= 10, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr1= 602, 603, 604, 606, 607, 608, 142, 143, 144, 566,
       567,
 &end
#
#   50 VAL  HB           51 GLU  HN          4.50    (#    861:10  Unique    3.86, 3.92 A)
 &rst
  ixpk= 861, nxpk= 10, iat= 805, 817, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 GLU  HG+          51 GLU  HN          4.50    (#    862:10  Unique    4.32, 4.55 A)
 &rst
  ixpk= 862, nxpk= 10, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 824, 825,
 &end
#
#    0 AMB  10-2:863     51 GLU  HN          4.50    (#    863:10  Single Ambig)
 &rst
  ixpk= 863, nxpk= 10, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 600, 824, 825,
 &end
#
#   34 GLY  HA-          53 THR  HN          3.50    (#    864:10  Unique    3.42, 3.78 A)
 &rst
  ixpk= 864, nxpk= 10, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 534, 535,
 &end
#
#   34 GLY  HA+          53 THR  HN          5.50    (#    865:10  Unique    3.42, 3.78 A)
 &rst
  ixpk= 865, nxpk= 10, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 534, 535,
 &end
#
#    0 AMB  10-2:867     53 THR  HN          5.50    (#    867:10  Single Ambig)
 &rst
  ixpk= 867, nxpk= 10, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 921, 922, 921, 922,
 &end
#
#   50 VAL  MGY          50 VAL  HN          4.50    (#    868:10  Unique    3.00, 4.27 A)
 &rst
  ixpk= 868, nxpk= 10, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 807, 808, 809, 811, 812, 813,
 &end
#
#   38 VAL  MGX          50 VAL  HN          5.50    (#    870:10  Unique    5.00, 6.84 A)
 &rst
  ixpk= 870, nxpk= 10, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 602, 603, 604, 606, 607, 608,
 &end
#
#   11 LEU  HB-          50 VAL  HN          4.50    (#    871:10  Unique    3.10, 3.85 A)
 &rst
  ixpk= 871, nxpk= 10, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 159, 160,
 &end
#
#   11 LEU  HB+          50 VAL  HN          3.50    (#    872:10  Unique    3.10, 3.85 A)
 &rst
  ixpk= 872, nxpk= 10, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 159, 160,
 &end
#
#   49 PHE  HB-          50 VAL  HN          4.50    (#    873:10  Unique    2.52, 3.22 A)
 &rst
  ixpk= 873, nxpk= 10, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 785, 786,
 &end
#
#    8 ASN  HD2-         81 ALA  HN          5.50    (#    874:10  Unique    2.11, 3.37 A)
 &rst
  ixpk= 874, nxpk= 10, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 114, 115,
 &end
#
#   11 LEU  HA           81 ALA  HN          3.50    (#    875:10  Unique    2.15, 2.47 A)
 &rst
  ixpk= 875, nxpk= 10, iat= 157,1288, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 ASN  HB-          81 ALA  HN          4.50    (#    876:10  Unique    3.20, 4.59 A)
 &rst
  ixpk= 876, nxpk= 10, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 109, 110,
 &end
#
#   80 PHE  HB-          81 ALA  HN          4.50    (#    877:10  Unique    3.07, 3.80 A)
 &rst
  ixpk= 877, nxpk= 10, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1272,1273,
 &end
#
#   12 PHE  HB-          81 ALA  HN          5.50    (#    878:10  Unique    4.39, 4.71 A)
 &rst
  ixpk= 878, nxpk= 10, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 178, 179,
 &end
#
#    0 AMB  10-2:879     81 ALA  HN          4.50    (#    879:10  Single Ambig)
 &rst
  ixpk= 879, nxpk= 10, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 140,1324,1325,1324,1325,
 &end
#
#    0 AMB  10-2:881     81 ALA  HN          4.50    (#    881:10  Single Ambig)
 &rst
  ixpk= 881, nxpk= 10, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 159, 160,1260,1261,1262,1305,1306,
 &end
#
#   10 ILE  MG2          81 ALA  HN          4.50    (#    882:10  Unique    4.10, 5.24 A)
 &rst
  ixpk= 882, nxpk= 10, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 142, 143, 144,
 &end
#
#   11 LEU  MDX          81 ALA  HN          5.50    (#    883:10  Unique    3.08, 5.58 A)
 &rst
  ixpk= 883, nxpk= 10, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 164, 165, 166, 168, 169, 170,
 &end
#
#   39 ARG  HB-          49 PHE  HN          3.50    (#    884:10  Unique    3.22, 4.18 A)
 &rst
  ixpk= 884, nxpk= 10, iat=  -1, 781, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 616, 617,
 &end
#
#   14 THR  HN           13 LEU  HN          5.50    (#    885:10  Unique    4.37, 4.42 A)
 &rst
  ixpk= 885, nxpk= 10, iat= 213, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:886     13 LEU  HN          5.50    (#    886:10  Single Ambig)
 &rst
  ixpk= 886, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 184, 188, 789, 797,
 &end
#
#   12 PHE  HZ           13 LEU  HN          5.50    (#    887:10  Unique    5.34, 5.46 A)
 &rst
  ixpk= 887, nxpk= 10, iat= 186, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:888     13 LEU  HN          4.50    (#    888:10  Single Ambig)
 &rst
  ixpk= 888, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 178, 179, 785, 786,
 &end
#
#   12 PHE  HB-          13 LEU  HN          4.50    (#    889:10  Unique    4.08, 4.18 A)
 &rst
  ixpk= 889, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 178, 179,
 &end
#
#   48 ALA  MB           13 LEU  HN          4.50    (#    890:10  Unique    3.81, 4.84 A)
 &rst
  ixpk= 890, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 775, 776, 777,
 &end
#
#   14 THR  MG2          13 LEU  HN          4.50    (#    891:10  Unique    3.71, 4.74 A)
 &rst
  ixpk= 891, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 219, 220, 221,
 &end
#
#    0 AMB  10-2:892     13 LEU  HN          4.50    (#    892:10  Single Ambig)
 &rst
  ixpk= 892, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 807, 808, 809, 811, 812, 813, 248,
 &end
#
#   10 ILE  MG2          13 LEU  HN          7.00    (#    893:10  Unique    6.72, 7.91 A)
 &rst
  ixpk= 893, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 142, 143, 144,
 &end
#
#    0 AMB  10-2:894     13 LEU  HN          3.50    (#    894:10  Single Ambig)
 &rst
  ixpk= 894, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 203, 204, 205, 207, 208, 209, 250, 251, 252, 254,
       255, 256,
 &end
#
#   42 PRO  HG-          43 ASN  HN          4.50    (#    895:10  Unique    4.01, 4.95 A)
 &rst
  ixpk= 895, nxpk= 10, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 675, 676,
 &end
#
#    0 AMB  10-2:896     43 ASN  HN          4.50    (#    896:10  Single Ambig)
 &rst
  ixpk= 896, nxpk= 10, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   17 PRO  HB-          19 GLU  HN          4.50    (#    897:10  Unique    2.30, 3.32 A)
 &rst
  ixpk= 897, nxpk= 10, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 267, 268,
 &end
#
#   45 HIS  HB-          19 GLU  HN          5.50    (#    898:10  Unique    4.99, 5.78 A)
 &rst
  ixpk= 898, nxpk= 10, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 727, 728,
 &end
#
#    0 AMB  10-2:900     40 LEU  HN          4.50    (#    900:10  Single Ambig)
 &rst
  ixpk= 900, nxpk= 10, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 339, 340, 339, 340,
 &end
#
#    0 AMB  10-2:901     52 PHE  HN          4.50    (#    901:10  Single Ambig)
 &rst
  ixpk= 901, nxpk= 10, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 146, 147, 149, 150, 151,
 &end
#
#    0 AMB  10-2:902     52 PHE  HN          5.50    (#    902:10  Single Ambig)
 &rst
  ixpk= 902, nxpk= 10, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 566, 567, 142, 143, 144,
 &end
#
#   51 GLU  HG-          52 PHE  HN          4.50    (#    903:10  Unique    2.44, 2.73 A)
 &rst
  ixpk= 903, nxpk= 10, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 824, 825,
 &end
#
#    0 AMB  10-2:904     52 PHE  HN          3.50    (#    904:10  Single Ambig)
 &rst
  ixpk= 904, nxpk= 10, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 821, 822, 821, 822,
 &end
#
#    5 GLN  HG-          83 LYS  HN          7.00    (#    905:10  Unique    3.95, 5.59 A)
 &rst
  ixpk= 905, nxpk= 10, iat=  -1,1320, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=  67,  68,
 &end
#
#    0 AMB  10-2:906     83 LYS  HN          5.50    (#    906:10  Single Ambig)
 &rst
  ixpk= 906, nxpk= 10, iat=  -1,1320, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1333,1334,1333,1334,1311,1312,1311,1312,
 &end
#
#    0 AMB  10-2:907     52 PHE  HN          4.50    (#    907:10  Single Ambig)
 &rst
  ixpk= 907, nxpk= 10, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 121, 935, 936, 854,
 &end
#
#   22 GLU  HN           23 MET  HN          3.50    (#    908:10  Unique    2.71, 2.78 A)
 &rst
  ixpk= 908, nxpk= 10, iat= 332, 347, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 LEU  HN           23 MET  HN          5.50    (#    909:10  Unique    4.18, 4.34 A)
 &rst
  ixpk= 909, nxpk= 10, iat= 381, 347, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 ASN  HD2-         23 MET  HN          5.50    (#    910:10  Unique    3.14, 4.05 A)
 &rst
  ixpk= 910, nxpk= 10, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 327, 328,
 &end
#
#   21 ASN  HN           23 MET  HN          5.50    (#    911:10  Unique    4.71, 4.83 A)
 &rst
  ixpk= 911, nxpk= 10, iat= 318, 347, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   24 MET  HA           23 MET  HN          5.50    (#    912:10  Unique    5.18, 5.31 A)
 &rst
  ixpk= 912, nxpk= 10, iat= 366, 347, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 ASN  HB+          23 MET  HN          5.50    (#    913:10  Unique    3.20, 4.01 A)
 &rst
  ixpk= 913, nxpk= 10, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 322, 323,
 &end
#
#   24 MET  HG+          23 MET  HN          5.50    (#    914:10  Unique    4.23, 5.14 A)
 &rst
  ixpk= 914, nxpk= 10, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 371, 372,
 &end
#
#   21 ASN  HB-          23 MET  HN          5.50    (#    915:10  Unique    3.20, 4.01 A)
 &rst
  ixpk= 915, nxpk= 10, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 322, 323,
 &end
#
#   20 THR  MG2          23 MET  HN          7.00    (#    916:10  Unique    6.00, 6.84 A)
 &rst
  ixpk= 916, nxpk= 10, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 310, 311, 312,
 &end
#
#   40 LEU  MDY          23 MET  HN          5.50    (#    917:10  Unique    4.82, 6.37 A)
 &rst
  ixpk= 917, nxpk= 10, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 645, 646, 647, 649, 650, 651,
 &end
#
#    0 AMB  10-2:918     23 MET  HN          5.50    (#    918:10  Single Ambig)
 &rst
  ixpk= 918, nxpk= 10, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 645, 646, 647, 649, 650, 651, 602, 603, 604, 606,
       607, 608,
 &end
#
#    1 ALA  MB            2 GLN  HN          5.50    (#    919:10  Unique    2.07, 3.24 A)
 &rst
  ixpk= 919, nxpk= 10, iat=  -1,  14, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=   8,   9,  10,
 &end
#
#    2 GLN  HG+           2 GLN  HN          5.50    (#    920:10  Unique    2.14, 3.41 A)
 &rst
  ixpk= 920, nxpk= 10, iat=  -1,  14, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  21,  22,
 &end
#
#    2 GLN  HB-           2 GLN  HN          5.50    (#    921:10  Unique    2.33, 3.25 A)
 &rst
  ixpk= 921, nxpk= 10, iat=  -1,  14, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  18,  19,
 &end
#
#    2 GLN  HB+           2 GLN  HN          5.50    (#    922:10  Unique    2.33, 3.25 A)
 &rst
  ixpk= 922, nxpk= 10, iat=  -1,  14, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  18,  19,
 &end
#
#    2 GLN  HA            2 GLN  HN          5.50    (#    923:10  Unique    2.83, 2.90 A)
 &rst
  ixpk= 923, nxpk= 10, iat=  16,  14, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   77 LYS  HA           67 GLY  HN          5.50    (#    924:10  Unique    3.17, 3.27 A)
 &rst
  ixpk= 924, nxpk= 10, iat=1215,1059, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   76 MET  HG+          67 GLY  HN          4.50    (#    925:10  Unique    4.31, 5.15 A)
 &rst
  ixpk= 925, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1203,1204,
 &end
#
#   66 GLN  HG+          67 GLY  HN          4.50    (#    926:10  Unique    3.34, 4.80 A)
 &rst
  ixpk= 926, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1049,1050,
 &end
#
#   78 ILE  HG1-         67 GLY  HN          5.50    (#    927:10  Unique    3.66, 4.95 A)
 &rst
  ixpk= 927, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1245,1246,
 &end
#
#   78 ILE  MD1          67 GLY  HN          4.50    (#    928:10  Unique    4.53, 5.44 A)
 &rst
  ixpk= 928, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1248,1249,1250,
 &end
#
#    0 AMB  10-2:929     67 GLY  HN          5.50    (#    929:10  Single Ambig)
 &rst
  ixpk= 929, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1220,1221,1220,1221,1027,1028,1027,1028,
 &end
#
#   25 LEU  HN           24 MET  HN          3.50    (#    930:10  Unique    2.52, 2.60 A)
 &rst
  ixpk= 930, nxpk= 10, iat= 381, 364, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 ASN  HN           24 MET  HN          4.50    (#    931:10  Unique    3.25, 3.43 A)
 &rst
  ixpk= 931, nxpk= 10, iat= 318, 364, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 ASN  HD2-         24 MET  HN          5.50    (#    932:10  Unique    3.75, 5.11 A)
 &rst
  ixpk= 932, nxpk= 10, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 327, 328,
 &end
#
#   69 LYS  HN           68 PHE  HN          4.50    (#    936:10  Unique    4.49, 4.51 A)
 &rst
  ixpk= 936, nxpk= 10, iat=1086,1066, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 PHE  HD           68 PHE  HN          4.50    (#    937:10  Unique    4.57, 4.71 A)
 &rst
  ixpk= 937, nxpk= 10, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1074,1082,
 &end
#
#   76 MET  HG+          68 PHE  HN          4.50    (#    938:10  Unique    4.71, 5.20 A)
 &rst
  ixpk= 938, nxpk= 10, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1203,1204,
 &end
#
#   76 MET  HB+          68 PHE  HN          4.50    (#    939:10  Unique    2.60, 3.36 A)
 &rst
  ixpk= 939, nxpk= 10, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1200,1201,
 &end
#
#   70 ILE  HG1-         68 PHE  HN          5.50    (#    940:10  Unique    5.35, 6.04 A)
 &rst
  ixpk= 940, nxpk= 10, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1118,1119,
 &end
#
#   75 ALA  MB           68 PHE  HN          5.50    (#    941:10  Unique    4.16, 5.32 A)
 &rst
  ixpk= 941, nxpk= 10, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1190,1191,1192,
 &end
#
#   78 ILE  MD1          68 PHE  HN          5.50    (#    942:10  Unique    4.55, 5.61 A)
 &rst
  ixpk= 942, nxpk= 10, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1248,1249,1250,
 &end
#
#   35 PHE  HD           30 ASN  HN          5.50    (#    946:10  Unique    3.90, 5.01 A)
 &rst
  ixpk= 946, nxpk= 10, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 547, 555,
 &end
#
#   32 PHE  HN           30 ASN  HN          4.50    (#    947:10  Unique    4.51, 4.52 A)
 &rst
  ixpk= 947, nxpk= 10, iat= 498, 467, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 PHE  HN           30 ASN  HN          3.50    (#    948:10  Unique    2.64, 2.69 A)
 &rst
  ixpk= 948, nxpk= 10, iat= 447, 467, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   29 PHE  HD           30 ASN  HN          5.50    (#    949:10  Unique    4.70, 5.37 A)
 &rst
  ixpk= 949, nxpk= 10, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 455, 463,
 &end
#
#   32 PHE  HD           30 ASN  HN          7.00    (#    950:10  Unique    5.15, 6.80 A)
 &rst
  ixpk= 950, nxpk= 10, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 506, 514,
 &end
#
#   28 LEU  HN           30 ASN  HN          4.50    (#    951:10  Unique    3.81, 3.91 A)
 &rst
  ixpk= 951, nxpk= 10, iat= 428, 467, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 GLN  HN           30 ASN  HN          3.50    (#    952:10  Unique    2.91, 2.94 A)
 &rst
  ixpk= 952, nxpk= 10, iat= 481, 467, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 ASN  HD2+         30 ASN  HN          5.50    (#    953:10  Unique    3.40, 5.18 A)
 &rst
  ixpk= 953, nxpk= 10, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 476, 477,
 &end
#
#    0 AMB  10-2:954     30 ASN  HN          5.50    (#    954:10  Single Ambig)
 &rst
  ixpk= 954, nxpk= 10, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 476, 477, 549, 553,
 &end
#
#   27 MET  HN           30 ASN  HN          5.50    (#    955:10  Unique    4.64, 4.71 A)
 &rst
  ixpk= 955, nxpk= 10, iat= 411, 467, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 PHE  HB+          30 ASN  HN          5.50    (#    957:10  Unique    3.08, 3.67 A)
 &rst
  ixpk= 957, nxpk= 10, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 451, 452,
 &end
#
#   29 PHE  HB-          30 ASN  HN          3.50    (#    958:10  Unique    3.08, 3.67 A)
 &rst
  ixpk= 958, nxpk= 10, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 451, 452,
 &end
#
#   28 LEU  HB-          30 ASN  HN          5.50    (#    959:10  Unique    4.74, 5.06 A)
 &rst
  ixpk= 959, nxpk= 10, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 432, 433,
 &end
#
#    0 AMB  10-2:960     30 ASN  HN          5.50    (#    960:10  Single Ambig)
 &rst
  ixpk= 960, nxpk= 10, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 432, 433, 602, 603, 604, 606, 607, 608,
 &end
#
#   59 ASN  HN           58 SER  HN          3.50    (#    961:10  Unique    2.68, 2.77 A)
 &rst
  ixpk= 961, nxpk= 10, iat= 942, 931, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   56 LEU  HN           58 SER  HN          4.50    (#    962:10  Unique    4.11, 4.24 A)
 &rst
  ixpk= 962, nxpk= 10, iat= 895, 931, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 THR  HN           58 SER  HN          4.50    (#    963:10  Unique    3.88, 3.97 A)
 &rst
  ixpk= 963, nxpk= 10, iat= 866, 931, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 GLN  HN           58 SER  HN          3.50    (#    964:10  Unique    2.56, 2.61 A)
 &rst
  ixpk= 964, nxpk= 10, iat= 914, 931, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:965     58 SER  HN          4.50    (#    965:10  Single Ambig)
 &rst
  ixpk= 965, nxpk= 10, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 956, 926, 927,
 &end
#
#   58 SER  HB-          58 SER  HN          4.50    (#    967:10  Unique    2.69, 3.16 A)
 &rst
  ixpk= 967, nxpk= 10, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 935, 936,
 &end
#
#    0 AMB  10-2:968     58 SER  HN          4.50    (#    968:10  Single Ambig)
 &rst
  ixpk= 968, nxpk= 10, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 836, 837, 836, 837,
 &end
#
#    0 AMB  10-2:969     58 SER  HN          4.50    (#    969:10  Single Ambig)
 &rst
  ixpk= 969, nxpk= 10, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 946, 947, 946, 947,
 &end
#
#   57 GLN  HB-          58 SER  HN          4.50    (#    970:10  Unique    2.50, 3.26 A)
 &rst
  ixpk= 970, nxpk= 10, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 918, 919,
 &end
#
#    0 AMB  10-2:971     58 SER  HN          5.50    (#    971:10  Single Ambig)
 &rst
  ixpk= 971, nxpk= 10, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 899, 900, 884, 885, 884, 885, 902,
 &end
#
#   76 MET  HN           75 ALA  HN          5.50    (#    972:10  Unique    4.45, 4.49 A)
 &rst
  ixpk= 972, nxpk= 10, iat=1196,1186, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 ASN  HD2+         75 ALA  HN          3.50    (#    973:10  Unique    2.79, 2.90 A)
 &rst
  ixpk= 973, nxpk= 10, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 236, 237,
 &end
#
#   74 HIS  HN           75 ALA  HN          4.50    (#    974:10  Unique    3.20, 3.72 A)
 &rst
  ixpk= 974, nxpk= 10, iat=1169,1186, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 ASN  HD2-         75 ALA  HN          3.50    (#    975:10  Unique    2.79, 2.90 A)
 &rst
  ixpk= 975, nxpk= 10, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 236, 237,
 &end
#
#   15 ASN  HB-          75 ALA  HN          5.50    (#    977:10  Unique    4.96, 5.62 A)
 &rst
  ixpk= 977, nxpk= 10, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 231, 232,
 &end
#
#    0 AMB  10-2:978     58 SER  HN          5.50    (#    978:10  Single Ambig)
 &rst
  ixpk= 978, nxpk= 10, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 899, 900, 101,
 &end
#
#    0 AMB  10-2:979     58 SER  HN          5.50    (#    979:10  Single Ambig)
 &rst
  ixpk= 979, nxpk= 10, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 960, 961, 962,  98,  99,
 &end
#
#   11 LEU  MDY          58 SER  HN          5.50    (#    980:10  Unique    4.92, 6.35 A)
 &rst
  ixpk= 980, nxpk= 10, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 164, 165, 166, 168, 169, 170,
 &end
#
#    0 AMB  10-2:981     58 SER  HN          5.50    (#    981:10  Single Ambig)
 &rst
  ixpk= 981, nxpk= 10, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 164, 165, 166, 168, 169, 170, 904, 905, 906, 908,
       909, 910,
 &end
#
#   46 ASP  HB+          16 LEU  HN          4.50    (#    982:10  Unique    3.19, 4.28 A)
 &rst
  ixpk= 982, nxpk= 10, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 744, 745,
 &end
#
#   15 ASN  HB-          16 LEU  HN          4.50    (#    983:10  Unique    4.22, 4.48 A)
 &rst
  ixpk= 983, nxpk= 10, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 231, 232,
 &end
#
#   46 ASP  HB-          16 LEU  HN          4.50    (#    984:10  Unique    3.19, 4.28 A)
 &rst
  ixpk= 984, nxpk= 10, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 744, 745,
 &end
#
#   16 LEU  HB-          16 LEU  HN          3.50    (#    985:10  Unique    2.58, 3.16 A)
 &rst
  ixpk= 985, nxpk= 10, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 245, 246,
 &end
#
#    0 AMB  10-2:986      3 THR  HN          5.50    (#    986:10  Single Ambig)
 &rst
  ixpk= 986, nxpk= 10, iat=  -1,  31, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  26,  27,  72,  73,
 &end
#
#    2 GLN  HG+           3 THR  HN          5.50    (#    987:10  Unique    3.59, 4.54 A)
 &rst
  ixpk= 987, nxpk= 10, iat=  -1,  31, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  21,  22,
 &end
#
#    3 THR  MG2           3 THR  HN          5.50    (#    988:10  Unique    2.51, 4.21 A)
 &rst
  ixpk= 988, nxpk= 10, iat=  -1,  31, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  37,  38,  39,
 &end
#
#    0 AMB  10-2:989     63 GLU  HN          5.50    (#    989:10  Single Ambig)
 &rst
  ixpk= 989, nxpk= 10, iat=  -1, 998, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1023, 951, 952,
 &end
#
#   64 ALA  HN           63 GLU  HN          3.50    (#    990:10  Unique    2.75, 2.79 A)
 &rst
  ixpk= 990, nxpk= 10, iat=1013, 998, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   61 ALA  HN           63 GLU  HN          5.50    (#    991:10  Unique    4.23, 4.27 A)
 &rst
  ixpk= 991, nxpk= 10, iat= 966, 998, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:992     63 GLU  HN          5.50    (#    992:10  Single Ambig)
 &rst
  ixpk= 992, nxpk= 10, iat=  -1, 998, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 983, 984, 983, 984,
 &end
#
#   78 ILE  HN           77 LYS  HN          5.50    (#    993:10  Unique    4.36, 4.39 A)
 &rst
  ixpk= 993, nxpk= 10, iat=1235,1213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 THR  HN           77 LYS  HN          4.50    (#    994:10  Unique    2.83, 2.91 A)
 &rst
  ixpk= 994, nxpk= 10, iat= 213,1213, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 LEU  HA           77 LYS  HN          5.50    (#    995:10  Unique    4.52, 4.59 A)
 &rst
  ixpk= 995, nxpk= 10, iat= 196,1213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   76 MET  HB+          77 LYS  HN          4.50    (#    996:10  Unique    4.08, 4.24 A)
 &rst
  ixpk= 996, nxpk= 10, iat=  -1,1213, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1200,1201,
 &end
#
#   76 MET  HB-          77 LYS  HN          4.50    (#    997:10  Unique    4.08, 4.24 A)
 &rst
  ixpk= 997, nxpk= 10, iat=  -1,1213, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1200,1201,
 &end
#
#   16 LEU  MDX          77 LYS  HN          4.50    (#    998:10  Unique    3.40, 5.59 A)
 &rst
  ixpk= 998, nxpk= 10, iat=  -1,1213, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 250, 251, 252, 254, 255, 256,
 &end
#
#   71 THR  HN           70 ILE  HN          3.50    (#   1000:10  Unique    2.33, 2.40 A)
 &rst
  ixpk= 1000, nxpk= 10, iat=1127,1108, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 PHE  HD           70 ILE  HN          5.50    (#   1001:10  Unique    3.42, 5.19 A)
 &rst
  ixpk= 1001, nxpk= 10, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1074,1082,
 &end
#
#   74 HIS  HB-          70 ILE  HN          5.50    (#   1002:10  Unique    3.90, 4.52 A)
 &rst
  ixpk= 1002, nxpk= 10, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1173,1174,
 &end
#
#   76 MET  HB-          70 ILE  HN          5.50    (#   1003:10  Unique    3.88, 4.49 A)
 &rst
  ixpk= 1003, nxpk= 10, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1200,1201,
 &end
#
#   76 MET  ME           70 ILE  HN          5.50    (#   1004:10  Unique    4.75, 5.77 A)
 &rst
  ixpk= 1004, nxpk= 10, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1207,1208,1209,
 &end
#
#   69 LYS  HD+          70 ILE  HN          4.50    (#   1005:10  Unique    4.20, 4.42 A)
 &rst
  ixpk= 1005, nxpk= 10, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1096,1097,
 &end
#
#   70 ILE  MD1          70 ILE  HN          4.50    (#   1006:10  Unique    3.58, 4.22 A)
 &rst
  ixpk= 1006, nxpk= 10, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1121,1122,1123,
 &end
#
#   70 ILE  MG2          70 ILE  HN          4.50    (#   1007:10  Unique    4.41, 4.55 A)
 &rst
  ixpk= 1007, nxpk= 10, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1114,1115,1116,
 &end
#
#   58 SER  HN           59 ASN  HN          3.50    (#   1010:10  Unique    2.68, 2.77 A)
 &rst
  ixpk= 1010, nxpk= 10, iat= 931, 942, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:1011    59 ASN  HN          4.50    (#   1011:10  Single Ambig)
 &rst
  ixpk= 1011, nxpk= 10, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 951, 952, 895,
 &end
#
#    0 AMB  10-2:1012    59 ASN  HN          4.50    (#   1012:10  Single Ambig)
 &rst
  ixpk= 1012, nxpk= 10, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 914,1276,1284,
 &end
#
#   60 ALA  HN           59 ASN  HN          3.50    (#   1013:10  Unique    2.82, 2.89 A)
 &rst
  ixpk= 1013, nxpk= 10, iat= 956, 942, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   61 ALA  HN           59 ASN  HN          5.50    (#   1015:10  Unique    4.24, 4.29 A)
 &rst
  ixpk= 1015, nxpk= 10, iat= 966, 942, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1016    59 ASN  HN          5.50    (#   1016:10  Single Ambig)
 &rst
  ixpk= 1016, nxpk= 10, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1278,1282,1280, 951, 952,
 &end
#
#   58 SER  HA           59 ASN  HN          4.50    (#   1017:10  Unique    3.61, 3.63 A)
 &rst
  ixpk= 1017, nxpk= 10, iat= 933, 942, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1018    59 ASN  HN          5.50    (#   1018:10  Single Ambig)
 &rst
  ixpk= 1018, nxpk= 10, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 980, 981, 162,
 &end
#
#    0 AMB  10-2:1019    59 ASN  HN          5.50    (#   1019:10  Single Ambig)
 &rst
  ixpk= 1019, nxpk= 10, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 884, 885, 884, 885, 899, 900, 902,
 &end
#
#    0 AMB  10-2:1020    59 ASN  HN          5.50    (#   1020:10  Single Ambig)
 &rst
  ixpk= 1020, nxpk= 10, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 921, 922, 921, 922,1005,1006,
 &end
#
#   11 LEU  MDY          59 ASN  HN          5.50    (#   1021:10  Unique    4.39, 5.80 A)
 &rst
  ixpk= 1021, nxpk= 10, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 164, 165, 166, 168, 169, 170,
 &end
#
#    0 AMB  10-2:1022    59 ASN  HN          4.50    (#   1022:10  Single Ambig)
 &rst
  ixpk= 1022, nxpk= 10, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 164, 165, 166, 168, 169, 170, 904, 905, 906, 908,
       909, 910,
 &end
#
#    0 AMB  10-2:1023     0 AMB  10-1:1023   5.50    (#   1023:10  Double Ambig)
 &rst
  ixpk= 1023, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 250, 251, 252, 254, 255, 256, 844,1278,1282,1280,
       842, 846,
 igr2= 771, 976,
 &end
#
#   61 ALA  HN           62 LYS  HN          3.50    (#   1024:10  Unique    2.70, 2.72 A)
 &rst
  ixpk= 1024, nxpk= 10, iat= 966, 976, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:1025    62 LYS  HN          4.50    (#   1025:10  Single Ambig)
 &rst
  ixpk= 1025, nxpk= 10, iat=  -1, 976, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1013, 956,1042,
 &end
#
#   12 PHE  HD           48 ALA  HN          5.50    (#   1026:10  Unique    3.80, 5.22 A)
 &rst
  ixpk= 1026, nxpk= 10, iat=  -1, 771, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 182, 190,
 &end
#
#   61 ALA  HA           62 LYS  HN          4.50    (#   1028:10  Unique    3.57, 3.59 A)
 &rst
  ixpk= 1028, nxpk= 10, iat= 968, 976, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 THR  HN           36 LYS  HN          5.50    (#   1029:10  Unique    4.03, 4.25 A)
 &rst
  ixpk= 1029, nxpk= 10, iat= 852, 559, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1030    36 LYS  HN          5.50    (#   1030:10  Single Ambig)
 &rst
  ixpk= 1030, nxpk= 10, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 832, 596,
 &end
#
#   35 PHE  HN           36 LYS  HN          4.50    (#   1031:10  Unique    4.53, 4.54 A)
 &rst
  ixpk= 1031, nxpk= 10, iat= 539, 559, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   52 PHE  HD           36 LYS  HN          4.50    (#   1032:10  Unique    4.29, 4.70 A)
 &rst
  ixpk= 1032, nxpk= 10, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 840, 848,
 &end
#
#    0 AMB  10-2:1033    36 LYS  HN          5.50    (#   1033:10  Single Ambig)
 &rst
  ixpk= 1033, nxpk= 10, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 842, 846, 551, 844,
 &end
#
#   35 PHE  HD           36 LYS  HN          4.50    (#   1034:10  Unique    2.73, 3.92 A)
 &rst
  ixpk= 1034, nxpk= 10, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 547, 555,
 &end
#
#   37 GLU  HN           36 LYS  HN          3.50    (#   1035:10  Unique    2.27, 2.33 A)
 &rst
  ixpk= 1035, nxpk= 10, iat= 581, 559, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 LEU  HN           27 MET  HN          3.50    (#   1036:10  Unique    2.68, 2.78 A)
 &rst
  ixpk= 1036, nxpk= 10, iat= 428, 411, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 LEU  HN           27 MET  HN          5.50    (#   1037:10  Unique    4.18, 4.28 A)
 &rst
  ixpk= 1037, nxpk= 10, iat= 381, 411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 PHE  HN           27 MET  HN          5.50    (#   1038:10  Unique    4.46, 4.57 A)
 &rst
  ixpk= 1038, nxpk= 10, iat= 447, 411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1039    27 MET  HN          5.50    (#   1039:10  Single Ambig)
 &rst
  ixpk= 1039, nxpk= 10, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 549, 553, 318,
 &end
#
#   28 LEU  HG           27 MET  HN          5.50    (#   1043:10  Unique    4.75, 4.88 A)
 &rst
  ixpk= 1043, nxpk= 10, iat= 435, 411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 LEU  HB-          27 MET  HN          5.50    (#   1044:10  Unique    4.88, 5.66 A)
 &rst
  ixpk= 1044, nxpk= 10, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 432, 433,
 &end
#
#    0 AMB  10-2:1045    34 GLY  HN          4.50    (#   1045:10  Single Ambig)
 &rst
  ixpk= 1045, nxpk= 10, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 840, 848, 926, 927,
 &end
#
#   57 GLN  HE2-         34 GLY  HN          5.50    (#   1046:10  Unique    3.93, 4.67 A)
 &rst
  ixpk= 1046, nxpk= 10, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 926, 927,
 &end
#
#   33 PRO  HD+          34 GLY  HN          5.50    (#   1047:10  Unique    3.10, 3.76 A)
 &rst
  ixpk= 1047, nxpk= 10, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 519, 520,
 &end
#
#    0 AMB  10-2:1048    34 GLY  HN          5.50    (#   1048:10  Single Ambig)
 &rst
  ixpk= 1048, nxpk= 10, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 502, 503, 543, 544,
 &end
#
#   33 PRO  HG+          34 GLY  HN          4.50    (#   1050:10  Unique    3.22, 4.33 A)
 &rst
  ixpk= 1050, nxpk= 10, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 522, 523,
 &end
#
#   33 PRO  HG-          34 GLY  HN          4.50    (#   1051:10  Unique    3.22, 4.33 A)
 &rst
  ixpk= 1051, nxpk= 10, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 522, 523,
 &end
#
#   33 PRO  HB-          34 GLY  HN          4.50    (#   1052:10  Unique    3.28, 4.17 A)
 &rst
  ixpk= 1052, nxpk= 10, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 525, 526,
 &end
#
#   53 THR  MG2          34 GLY  HN          7.00    (#   1053:10  Unique    6.07, 6.81 A)
 &rst
  ixpk= 1053, nxpk= 10, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 858, 859, 860,
 &end
#
#    0 AMB  10-2:1054    14 THR  HN          5.50    (#   1054:10  Single Ambig)
 &rst
  ixpk= 1054, nxpk= 10, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  26,  27, 236, 237,
 &end
#
#   47 ILE  HA           14 THR  HN          5.50    (#   1055:10  Unique    4.36, 4.49 A)
 &rst
  ixpk= 1055, nxpk= 10, iat= 754, 213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1056    14 THR  HN          5.50    (#   1056:10  Single Ambig)
 &rst
  ixpk= 1056, nxpk= 10, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 243, 229,1258, 773,
 &end
#
#   76 MET  HG-          14 THR  HN          5.50    (#   1057:10  Unique    4.02, 4.22 A)
 &rst
  ixpk= 1057, nxpk= 10, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1203,1204,
 &end
#
#    0 AMB  10-2:1058    14 THR  HN          4.50    (#   1058:10  Single Ambig)
 &rst
  ixpk= 1058, nxpk= 10, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1217,1218,1226,1227,
 &end
#
#   14 THR  HA           14 THR  HN          3.50    (#   1059:10  Unique    2.94, 2.95 A)
 &rst
  ixpk= 1059, nxpk= 10, iat= 215, 213, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 GLN  HN           66 GLN  HE2+        5.50    (#   1060:10  Unique    5.71, 6.15 A)
 &rst
  ixpk= 1060, nxpk= 10, iat=1042,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1054,1055,
 &end
#
#    0 AMB  10-2:1061     0 AMB  10-1:1061   4.50    (#   1061:10  Double Ambig)
 &rst
  ixpk= 1061, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 989, 990,1046,1047,
 igr2=1054,1055,1054,1055,
 &end
#
#   62 LYS  HE-          66 GLN  HE2+        5.50    (#   1062:10  Unique    2.22, 3.62 A)
 &rst
  ixpk= 1062, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 989, 990,
 igr2=1054,1055,
 &end
#
#   66 GLN  HB-          66 GLN  HE2+        5.50    (#   1063:10  Unique    3.30, 4.50 A)
 &rst
  ixpk= 1063, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1046,1047,
 igr2=1054,1055,
 &end
#
#   66 GLN  HG+          66 GLN  HE2+        4.50    (#   1064:10  Unique    2.19, 3.20 A)
 &rst
  ixpk= 1064, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1049,1050,
 igr2=1054,1055,
 &end
#
#    0 AMB  10-2:1065     0 AMB  10-1:1065   4.50    (#   1065:10  Double Ambig)
 &rst
  ixpk= 1065, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
 igr1=1239,1223,1224,1223,1224,1245,1246,
 igr2=1054,1055,1054,1055,1054,1055,1054,1055,
 &end
#
#    0 AMB  10-2:1066     0 AMB  10-1:1066   5.50    (#   1066:10  Double Ambig)
 &rst
  ixpk= 1066, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1220,1221,1220,1221,
 igr2=1054,1055,1054,1055,
 &end
#
#   78 ILE  MD1          66 GLN  HE2+        5.50    (#   1067:10  Unique    5.01, 6.34 A)
 &rst
  ixpk= 1067, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1248,1249,1250,
 igr2=1054,1055,
 &end
#
#   78 ILE  MG2          66 GLN  HE2+        4.50    (#   1068:10  Unique    4.32, 5.62 A)
 &rst
  ixpk= 1068, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1241,1242,1243,
 igr2=1054,1055,
 &end
#
#   66 GLN  HG-          66 GLN  HE2+        4.50    (#   1069:10  Unique    2.19, 3.20 A)
 &rst
  ixpk= 1069, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1049,1050,
 igr2=1054,1055,
 &end
#
#   58 SER  HN           54 THR  HN          5.50    (#   1071:10  Unique    3.88, 3.97 A)
 &rst
  ixpk= 1071, nxpk= 10, iat= 931, 866, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 LEU  HN           54 THR  HN          5.50    (#   1072:10  Unique    4.82, 4.99 A)
 &rst
  ixpk= 1072, nxpk= 10, iat= 895, 866, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 GLN  HN           54 THR  HN          4.50    (#   1073:10  Unique    3.60, 3.79 A)
 &rst
  ixpk= 1073, nxpk= 10, iat= 914, 866, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1074    54 THR  HN          4.50    (#   1074:10  Single Ambig)
 &rst
  ixpk= 1074, nxpk= 10, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 926, 927, 840, 848,
 &end
#
#   57 GLN  HB-          54 THR  HN          4.50    (#   1075:10  Unique    2.62, 3.54 A)
 &rst
  ixpk= 1075, nxpk= 10, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 918, 919,
 &end
#
#    0 AMB  10-2:1076    54 THR  HN          5.50    (#   1076:10  Single Ambig)
 &rst
  ixpk= 1076, nxpk= 10, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 899, 900, 884, 885, 884, 885,
 &end
#
#    0 AMB  10-2:1077    54 THR  HN          5.50    (#   1077:10  Single Ambig)
 &rst
  ixpk= 1077, nxpk= 10, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 887, 888, 824, 825,
 &end
#
#   36 LYS  HD+          54 THR  HN          5.50    (#   1078:10  Unique    5.35, 6.14 A)
 &rst
  ixpk= 1078, nxpk= 10, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 569, 570,
 &end
#
#   34 GLY  HA+          54 THR  HN          5.50    (#   1079:10  Unique    3.99, 4.99 A)
 &rst
  ixpk= 1079, nxpk= 10, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 534, 535,
 &end
#
#   66 GLN  HN           66 GLN  HE2-        5.50    (#   1080:10  Unique    5.71, 6.15 A)
 &rst
  ixpk= 1080, nxpk= 10, iat=1042,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1054,1055,
 &end
#
#   77 LYS  HA           66 GLN  HE2-        5.50    (#   1081:10  Unique    3.05, 4.68 A)
 &rst
  ixpk= 1081, nxpk= 10, iat=1215,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1054,1055,
 &end
#
#   66 GLN  HA           66 GLN  HE2-        5.50    (#   1082:10  Unique    4.35, 4.79 A)
 &rst
  ixpk= 1082, nxpk= 10, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1054,1055,
 &end
#
#    0 AMB  10-2:1083    66 GLN  HE2-        3.50    (#   1083:10  Single Ambig)
 &rst
  ixpk= 1083, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 989, 990,1046,1047,
 igr2=1054,1055,
 &end
#
#   62 LYS  HE-          66 GLN  HE2-        5.50    (#   1084:10  Unique    2.22, 3.62 A)
 &rst
  ixpk= 1084, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 989, 990,
 igr2=1054,1055,
 &end
#
#   66 GLN  HB-          66 GLN  HE2-        4.50    (#   1085:10  Unique    3.30, 4.50 A)
 &rst
  ixpk= 1085, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1046,1047,
 igr2=1054,1055,
 &end
#
#    0 AMB  10-2:1086    66 GLN  HE2-        5.50    (#   1086:10  Single Ambig)
 &rst
  ixpk= 1086, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1220,1221,1220,1221,
 igr2=1054,1055,
 &end
#
#   78 ILE  MD1          66 GLN  HE2-        4.50    (#   1087:10  Unique    5.01, 6.34 A)
 &rst
  ixpk= 1087, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1248,1249,1250,
 igr2=1054,1055,
 &end
#
#   76 MET  HN           71 THR  HN          5.50    (#   1088:10  Unique    5.15, 5.24 A)
 &rst
  ixpk= 1088, nxpk= 10, iat=1196,1127, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   75 ALA  HN           71 THR  HN          7.00    (#   1089:10  Unique    5.19, 5.39 A)
 &rst
  ixpk= 1089, nxpk= 10, iat=1186,1127, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   76 MET  ME           71 THR  HN          7.00    (#   1090:10  Unique    6.79, 7.65 A)
 &rst
  ixpk= 1090, nxpk= 10, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1207,1208,1209,
 &end
#
#   28 LEU  MDY          31 GLN  HE2+        5.50    (#   1091:10  Unique    3.32, 5.32 A)
 &rst
  ixpk= 1091, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 437, 438, 439, 441, 442, 443,
 igr2= 493, 494,
 &end
#
#   65 LEU  MDX          31 GLN  HE2+        5.50    (#   1092:10  Unique    2.19, 3.97 A)
 &rst
  ixpk= 1092, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2= 493, 494,
 &end
#
#   64 ALA  MB           31 GLN  HE2+        5.50    (#   1093:10  Unique    5.22, 6.46 A)
 &rst
  ixpk= 1093, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1017,1018,1019,
 igr2= 493, 494,
 &end
#
#    0 AMB  10-2:1095     0 AMB  10-1:1095   5.50    (#   1095:10  Double Ambig)
 &rst
  ixpk= 1095, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 821, 822, 821, 822,
 igr2= 131, 132, 131, 132,
 &end
#
#    0 AMB  10-2:1096     0 AMB  10-1:1096   5.50    (#   1096:10  Double Ambig)
 &rst
  ixpk= 1096, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1= 563, 564, 858, 859, 860,
 igr2= 131, 132, 131, 132,
 &end
#
#    0 AMB  10-2:1097     0 AMB  10-1:1097   5.50    (#   1097:10  Double Ambig)
 &rst
  ixpk= 1097, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
 igr1= 569, 570, 566, 567, 872, 873, 874,
 igr2= 131, 132, 131, 132, 131, 132,
 &end
#
#   47 ILE  HN           44 ARG  HE          5.50    (#   1098:10  Unique    3.60, 4.24 A)
 &rst
  ixpk= 1098, nxpk= 10, iat= 752, 712, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ARG  HD-          44 ARG  HE          4.50    (#   1099:10  Unique    2.29, 2.80 A)
 &rst
  ixpk= 1099, nxpk= 10, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 709, 710,
 &end
#
#   44 ARG  HD+          44 ARG  HE          4.50    (#   1100:10  Unique    2.29, 2.80 A)
 &rst
  ixpk= 1100, nxpk= 10, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 709, 710,
 &end
#
#   44 ARG  HB+          44 ARG  HE          5.50    (#   1101:10  Unique    1.96, 2.87 A)
 &rst
  ixpk= 1101, nxpk= 10, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 703, 704,
 &end
#
#   44 ARG  HB-          44 ARG  HE          5.50    (#   1102:10  Unique    1.96, 2.87 A)
 &rst
  ixpk= 1102, nxpk= 10, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 703, 704,
 &end
#
#    0 AMB  10-2:1103    44 ARG  HE          4.50    (#   1103:10  Single Ambig)
 &rst
  ixpk= 1103, nxpk= 10, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 706, 707, 706, 707,
 &end
#
#   47 ILE  MD1          44 ARG  HE          4.50    (#   1104:10  Unique    2.50, 4.02 A)
 &rst
  ixpk= 1104, nxpk= 10, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 765, 766, 767,
 &end
#
#   11 LEU  HN           10 ILE  HN          5.50    (#   1105:10  Unique    4.08, 4.20 A)
 &rst
  ixpk= 1105, nxpk= 10, iat= 155, 136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   81 ALA  HN           10 ILE  HN          5.50    (#   1106:10  Unique    3.92, 4.05 A)
 &rst
  ixpk= 1106, nxpk= 10, iat=1288, 136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 PHE  HN           10 ILE  HN          5.50    (#   1107:10  Unique    4.97, 5.04 A)
 &rst
  ixpk= 1107, nxpk= 10, iat= 832, 136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8 ASN  HD2+         10 ILE  HN          4.50    (#   1108:10  Unique    2.57, 3.19 A)
 &rst
  ixpk= 1108, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 114, 115,
 &end
#
#    8 ASN  HD2-         10 ILE  HN          5.50    (#   1109:10  Unique    2.57, 3.19 A)
 &rst
  ixpk= 1109, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 114, 115,
 &end
#
#    8 ASN  HB-          10 ILE  HN          5.50    (#   1110:10  Unique    3.02, 3.87 A)
 &rst
  ixpk= 1110, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 109, 110,
 &end
#
#    8 ASN  HB+          10 ILE  HN          4.50    (#   1111:10  Unique    3.02, 3.87 A)
 &rst
  ixpk= 1111, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 109, 110,
 &end
#
#   55 GLU  HG+          10 ILE  HN          7.00    (#   1112:10  Unique    4.76, 5.73 A)
 &rst
  ixpk= 1112, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 887, 888,
 &end
#
#    9 GLN  HB-          10 ILE  HN          4.50    (#   1113:10  Unique    4.36, 4.60 A)
 &rst
  ixpk= 1113, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 123, 124,
 &end
#
#    9 GLN  HB+          10 ILE  HN          4.50    (#   1114:10  Unique    4.36, 4.60 A)
 &rst
  ixpk= 1114, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 123, 124,
 &end
#
#   76 MET  HN           69 LYS  HN          5.50    (#   1115:10  Unique    4.64, 4.69 A)
 &rst
  ixpk= 1115, nxpk= 10, iat=1196,1086, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 PHE  HN           69 LYS  HN          4.50    (#   1116:10  Unique    4.49, 4.51 A)
 &rst
  ixpk= 1116, nxpk= 10, iat=1066,1086, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   70 ILE  HN           69 LYS  HN          4.50    (#   1117:10  Unique    4.19, 4.27 A)
 &rst
  ixpk= 1117, nxpk= 10, iat=1108,1086, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 PHE  HD           69 LYS  HN          4.50    (#   1118:10  Unique    4.07, 4.35 A)
 &rst
  ixpk= 1118, nxpk= 10, iat=  -1,1086, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1074,1082,
 &end
#
#   76 MET  ME           69 LYS  HN          7.00    (#   1119:10  Unique    6.59, 7.81 A)
 &rst
  ixpk= 1119, nxpk= 10, iat=  -1,1086, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1207,1208,1209,
 &end
#
#    0 AMB  10-2:1120    69 LYS  HN          5.50    (#   1120:10  Single Ambig)
 &rst
  ixpk= 1120, nxpk= 10, iat=  -1,1086, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1118,1119,1112,
 &end
#
#   69 LYS  HB+          69 LYS  HN          3.50    (#   1121:10  Unique    2.42, 3.05 A)
 &rst
  ixpk= 1121, nxpk= 10, iat=  -1,1086, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1090,1091,
 &end
#
#   30 ASN  HN           32 PHE  HN          5.50    (#   1123:10  Unique    4.51, 4.52 A)
 &rst
  ixpk= 1123, nxpk= 10, iat= 467, 498, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 PHE  HZ           32 PHE  HN          7.00    (#   1126:10  Unique    5.64, 5.72 A)
 &rst
  ixpk= 1126, nxpk= 10, iat= 510, 498, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   31 GLN  HN           32 PHE  HN          3.50    (#   1128:10  Unique    2.81, 2.84 A)
 &rst
  ixpk= 1128, nxpk= 10, iat= 481, 498, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   44 ARG  HD+          44 ARG  HN          5.50    (#   1129:10  Unique    3.90, 5.13 A)
 &rst
  ixpk= 1129, nxpk= 10, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 709, 710,
 &end
#
#   44 ARG  HE           44 ARG  HN          5.50    (#   1130:10  Unique    4.78, 5.43 A)
 &rst
  ixpk= 1130, nxpk= 10, iat= 712, 699, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 ASP  HN           44 ARG  HN          5.50    (#   1131:10  Unique    4.66, 5.16 A)
 &rst
  ixpk= 1131, nxpk= 10, iat= 740, 699, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 VAL  HN           44 ARG  HN          5.50    (#   1132:10  Unique    4.05, 4.55 A)
 &rst
  ixpk= 1132, nxpk= 10, iat= 655, 699, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 SER  HN           56 LEU  HN          5.50    (#   1133:10  Unique    4.11, 4.24 A)
 &rst
  ixpk= 1133, nxpk= 10, iat= 931, 895, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 THR  HN           56 LEU  HN          5.50    (#   1134:10  Unique    4.82, 4.99 A)
 &rst
  ixpk= 1134, nxpk= 10, iat= 866, 895, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 GLN  HN           56 LEU  HN          3.50    (#   1135:10  Unique    2.51, 2.59 A)
 &rst
  ixpk= 1135, nxpk= 10, iat= 914, 895, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 THR  HG1          56 LEU  HN          5.50    (#   1136:10  Unique    4.08, 4.20 A)
 &rst
  ixpk= 1136, nxpk= 10, iat= 876, 895, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   75 ALA  HN           74 HIS  HN          4.50    (#   1137:10  Unique    3.20, 3.72 A)
 &rst
  ixpk= 1137, nxpk= 10, iat=1186,1169, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   70 ILE  HN           74 HIS  HN          5.50    (#   1138:10  Unique    4.37, 4.54 A)
 &rst
  ixpk= 1138, nxpk= 10, iat=1108,1169, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   73 THR  HN           74 HIS  HN          4.50    (#   1139:10  Unique    2.41, 2.61 A)
 &rst
  ixpk= 1139, nxpk= 10, iat=1155,1169, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1140    74 HIS  HN          5.50    (#   1140:10  Single Ambig)
 &rst
  ixpk= 1140, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1142,1143,1142,1143,
 &end
#
#    0 AMB  10-2:1141    74 HIS  HN          5.50    (#   1141:10  Single Ambig)
 &rst
  ixpk= 1141, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1=1112,1148,1149,1145,1146,1145,1146,
 &end
#
#   69 LYS  HD-          74 HIS  HN          5.50    (#   1142:10  Unique    3.04, 4.19 A)
 &rst
  ixpk= 1142, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1096,1097,
 &end
#
#   56 LEU  HN           57 GLN  HN          3.50    (#   1143:10  Unique    2.51, 2.59 A)
 &rst
  ixpk= 1143, nxpk= 10, iat= 895, 914, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:1144    57 GLN  HN          5.50    (#   1144:10  Single Ambig)
 &rst
  ixpk= 1144, nxpk= 10, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 926, 927, 840, 848, 956,
 &end
#
#   54 THR  HG1          57 GLN  HN          5.50    (#   1145:10  Unique    3.39, 3.54 A)
 &rst
  ixpk= 1145, nxpk= 10, iat= 876, 914, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 THR  HA           57 GLN  HN          5.50    (#   1146:10  Unique    4.60, 4.64 A)
 &rst
  ixpk= 1146, nxpk= 10, iat= 868, 914, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 LEU  MDX          57 GLN  HN          5.50    (#   1147:10  Unique    4.67, 5.61 A)
 &rst
  ixpk= 1147, nxpk= 10, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 904, 905, 906, 908, 909, 910,
 &end
#
#   35 PHE  HD           35 PHE  HN          4.50    (#   1149:10  Unique    3.72, 4.43 A)
 &rst
  ixpk= 1149, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 547, 555,
 &end
#
#    0 AMB  10-2:1152    35 PHE  HN          5.50    (#   1152:10  Single Ambig)
 &rst
  ixpk= 1152, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 918, 919, 525, 526,
 &end
#
#   20 THR  HG1          20 THR  HN          5.50    (#   1153:10  Unique    1.97, 2.04 A)
 &rst
  ixpk= 1153, nxpk= 10, iat= 314, 304, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 ASN  HN           20 THR  HN          5.50    (#   1154:10  Unique    4.59, 4.62 A)
 &rst
  ixpk= 1154, nxpk= 10, iat= 318, 304, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 HIS  HB-          20 THR  HN          5.50    (#   1155:10  Unique    3.50, 4.46 A)
 &rst
  ixpk= 1155, nxpk= 10, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 727, 728,
 &end
#
#   45 HIS  HB+          20 THR  HN          5.50    (#   1156:10  Unique    3.50, 4.46 A)
 &rst
  ixpk= 1156, nxpk= 10, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 727, 728,
 &end
#
#   17 PRO  HA           20 THR  HN          5.50    (#   1157:10  Unique    4.85, 4.92 A)
 &rst
  ixpk= 1157, nxpk= 10, iat= 270, 304, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   64 ALA  HA           66 GLN  HN          5.50    (#   1159:10  Unique    4.65, 4.68 A)
 &rst
  ixpk= 1159, nxpk= 10, iat=1015,1042, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1160    66 GLN  HN          4.50    (#   1160:10  Single Ambig)
 &rst
  ixpk= 1160, nxpk= 10, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1245,1246,1239,
 &end
#
#   64 ALA  MB           66 GLN  HN          4.50    (#   1161:10  Unique    4.96, 5.55 A)
 &rst
  ixpk= 1161, nxpk= 10, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1017,1018,1019,
 &end
#
#    0 AMB  10-2:1162    66 GLN  HN          4.50    (#   1162:10  Single Ambig)
 &rst
  ixpk= 1162, nxpk= 10, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1027,1028,1027,1028,
 &end
#
#   65 LEU  HG           66 GLN  HN          5.50    (#   1163:10  Unique    4.86, 4.90 A)
 &rst
  ixpk= 1163, nxpk= 10, iat=1030,1042, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 ASN  HD2-         21 ASN  HN          5.50    (#   1164:10  Unique    4.15, 5.43 A)
 &rst
  ixpk= 1164, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 327, 328,
 &end
#
#   25 LEU  MDY          21 ASN  HN          5.50    (#   1165:10  Unique    4.65, 5.78 A)
 &rst
  ixpk= 1165, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 390, 391, 392, 394, 395, 396,
 &end
#
#   21 ASN  HD2+         21 ASN  HN          5.50    (#   1166:10  Unique    4.15, 5.43 A)
 &rst
  ixpk= 1166, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 327, 328,
 &end
#
#    0 AMB  10-2:1167    21 ASN  HN          4.50    (#   1167:10  Single Ambig)
 &rst
  ixpk= 1167, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 381, 304,
 &end
#
#   26 SER  HN           28 LEU  HN          5.50    (#   1168:10  Unique    4.11, 4.15 A)
 &rst
  ixpk= 1168, nxpk= 10, iat= 400, 428, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 PHE  HD           28 LEU  HN          5.50    (#   1169:10  Unique    4.02, 5.94 A)
 &rst
  ixpk= 1169, nxpk= 10, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 455, 463,
 &end
#
#   65 LEU  MDX          28 LEU  HN          5.50    (#   1170:10  Unique    5.93, 7.21 A)
 &rst
  ixpk= 1170, nxpk= 10, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#   59 ASN  HA           61 ALA  HN          5.50    (#   1171:10  Unique    4.40, 4.47 A)
 &rst
  ixpk= 1171, nxpk= 10, iat= 944, 966, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 LYS  HA           61 ALA  HN          5.50    (#   1172:10  Unique    5.34, 5.36 A)
 &rst
  ixpk= 1172, nxpk= 10, iat= 978, 966, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   74 HIS  HA           73 THR  HN          5.50    (#   1173:10  Unique    4.99, 5.24 A)
 &rst
  ixpk= 1173, nxpk= 10, iat=1171,1155, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   72 PRO  HD+          73 THR  HN          5.50    (#   1174:10  Unique    2.81, 3.61 A)
 &rst
  ixpk= 1174, nxpk= 10, iat=  -1,1155, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1142,1143,
 &end
#
#    0 AMB  10-2:1175    73 THR  HN          5.50    (#   1175:10  Single Ambig)
 &rst
  ixpk= 1175, nxpk= 10, iat=  -1,1155, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1148,1149,1145,1146,1145,1146,
 &end
#
#   74 HIS  HN           73 THR  HN          3.50    (#   1176:10  Unique    2.41, 2.61 A)
 &rst
  ixpk= 1176, nxpk= 10, iat=1169,1155, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 ASN  HN           25 LEU  HN          4.50    (#   1177:10  Unique    3.78, 3.92 A)
 &rst
  ixpk= 1177, nxpk= 10, iat= 318, 381, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1178    25 LEU  HN          5.50    (#   1178:10  Single Ambig)
 &rst
  ixpk= 1178, nxpk= 10, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 428, 375, 376, 377, 250, 251, 252, 254, 255, 256,
      
 &end
#
#   24 MET  HG+          25 LEU  HN          5.50    (#   1179:10  Unique    3.96, 4.48 A)
 &rst
  ixpk= 1179, nxpk= 10, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 371, 372,
 &end
#
#   34 GLY  HN           57 GLN  HE2+        5.50    (#   1180:10  Unique    3.93, 4.67 A)
 &rst
  ixpk= 1180, nxpk= 10, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 926, 927,
 &end
#
#   54 THR  HN           57 GLN  HE2+        5.50    (#   1181:10  Unique    3.13, 4.21 A)
 &rst
  ixpk= 1181, nxpk= 10, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 926, 927,
 &end
#
#    0 AMB  10-2:1182     0 AMB  10-1:1182   5.50    (#   1182:10  Double Ambig)
 &rst
  ixpk= 1182, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 519, 520, 916,
 igr2= 926, 927, 926, 927,
 &end
#
#   32 PHE  HB+          57 GLN  HE2+        5.50    (#   1183:10  Unique    5.42, 6.99 A)
 &rst
  ixpk= 1183, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 502, 503,
 igr2= 926, 927,
 &end
#
#   33 PRO  HB-          57 GLN  HE2+        5.50    (#   1184:10  Unique    4.17, 6.06 A)
 &rst
  ixpk= 1184, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 525, 526,
 igr2= 926, 927,
 &end
#
#   54 THR  MG2          57 GLN  HE2+        4.50    (#   1185:10  Unique    3.89, 5.28 A)
 &rst
  ixpk= 1185, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 872, 873, 874,
 igr2= 926, 927,
 &end
#
#   53 THR  MG2          57 GLN  HE2+        5.50    (#   1186:10  Unique    2.63, 3.92 A)
 &rst
  ixpk= 1186, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 858, 859, 860,
 igr2= 926, 927,
 &end
#
#   60 ALA  HN           59 ASN  HD2-        4.50    (#   1187:10  Unique    3.02, 4.22 A)
 &rst
  ixpk= 1187, nxpk= 10, iat= 956,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 951, 952,
 &end
#
#   59 ASN  HA           59 ASN  HD2-        5.50    (#   1189:10  Unique    4.30, 4.56 A)
 &rst
  ixpk= 1189, nxpk= 10, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 951, 952,
 &end
#
#   56 LEU  HA           59 ASN  HD2-        5.50    (#   1190:10  Unique    3.25, 4.41 A)
 &rst
  ixpk= 1190, nxpk= 10, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 951, 952,
 &end
#
#   60 ALA  HA           59 ASN  HD2-        5.50    (#   1191:10  Unique    3.53, 4.31 A)
 &rst
  ixpk= 1191, nxpk= 10, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 951, 952,
 &end
#
#    0 AMB  10-2:1192    59 ASN  HD2-        5.50    (#   1192:10  Single Ambig)
 &rst
  ixpk= 1192, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1002,1003, 980, 981,
 igr2= 951, 952,
 &end
#
#   56 LEU  MDY          59 ASN  HD2-        7.00    (#   1193:10  Unique    3.32, 6.58 A)
 &rst
  ixpk= 1193, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 904, 905, 906, 908, 909, 910,
 igr2= 951, 952,
 &end
#
#   63 GLU  HB-          59 ASN  HD2-        5.50    (#   1194:10  Unique    4.03, 5.86 A)
 &rst
  ixpk= 1194, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1002,1003,
 igr2= 951, 952,
 &end
#
#   10 ILE  HN            8 ASN  HD2-        5.50    (#   1195:10  Unique    2.57, 3.19 A)
 &rst
  ixpk= 1195, nxpk= 10, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 114, 115,
 &end
#
#   81 ALA  HN            8 ASN  HD2-        5.50    (#   1196:10  Unique    2.11, 3.37 A)
 &rst
  ixpk= 1196, nxpk= 10, iat=1288,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 114, 115,
 &end
#
#    0 AMB  10-2:1197     8 ASN  HD2-        5.50    (#   1197:10  Single Ambig)
 &rst
  ixpk= 1197, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 119, 174,
 igr2= 114, 115,
 &end
#
#    5 GLN  HA            5 GLN  HE2-        5.50    (#   1199:10  Unique    2.29, 3.21 A)
 &rst
  ixpk= 1199, nxpk= 10, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  72,  73,
 &end
#
#   34 GLY  HN           57 GLN  HE2-        5.50    (#   1200:10  Unique    3.93, 4.67 A)
 &rst
  ixpk= 1200, nxpk= 10, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 926, 927,
 &end
#
#   34 GLY  HA-          57 GLN  HE2-        4.50    (#   1201:10  Unique    2.21, 3.67 A)
 &rst
  ixpk= 1201, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 534, 535,
 igr2= 926, 927,
 &end
#
#    0 AMB  10-2:1202    57 GLN  HE2-        5.50    (#   1202:10  Single Ambig)
 &rst
  ixpk= 1202, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 916, 854,
 igr2= 926, 927,
 &end
#
#   32 PHE  HB+          57 GLN  HE2-        5.50    (#   1203:10  Unique    5.42, 6.99 A)
 &rst
  ixpk= 1203, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 502, 503,
 igr2= 926, 927,
 &end
#
#    0 AMB  10-2:1204    31 GLN  HN          3.50    (#   1204:10  Single Ambig)
 &rst
  ixpk= 1204, nxpk= 10, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 493, 494, 447,
 &end
#
#   32 PHE  HD           31 GLN  HN          4.50    (#   1205:10  Unique    4.24, 5.24 A)
 &rst
  ixpk= 1205, nxpk= 10, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 506, 514,
 &end
#
#   29 PHE  HA           31 GLN  HN          5.50    (#   1206:10  Unique    3.19, 3.26 A)
 &rst
  ixpk= 1206, nxpk= 10, iat= 449, 481, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 THR  HA            9 GLN  HE2-        5.50    (#   1207:10  Unique    4.12, 4.34 A)
 &rst
  ixpk= 1207, nxpk= 10, iat= 868,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 131, 132,
 &end
#
#    0 AMB  10-2:1208     9 GLN  HE2-        5.50    (#   1208:10  Single Ambig)
 &rst
  ixpk= 1208, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 854, 121,
 igr2= 131, 132,
 &end
#
#   22 GLU  HN           21 ASN  HD2-        5.50    (#   1209:10  Unique    3.27, 4.11 A)
 &rst
  ixpk= 1209, nxpk= 10, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 327, 328,
 &end
#
#   46 ASP  HA           47 ILE  HN          4.50    (#   1210:10  Unique    3.35, 3.43 A)
 &rst
  ixpk= 1210, nxpk= 10, iat= 742, 752, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   76 MET  HA           15 ASN  HD2-        5.50    (#   1212:10  Unique    4.19, 5.06 A)
 &rst
  ixpk= 1212, nxpk= 10, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 236, 237,
 &end
#
#   74 HIS  HB+          15 ASN  HD2-        5.50    (#   1214:10  Unique    3.93, 4.95 A)
 &rst
  ixpk= 1214, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1173,1174,
 igr2= 236, 237,
 &end
#
#    0 AMB  10-2:1215    15 ASN  HD2-        5.50    (#   1215:10  Single Ambig)
 &rst
  ixpk= 1215, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1226,1227,1223,1224,1223,1224,
 igr2= 236, 237,
 &end
#
#    0 AMB  10-2:1216    15 ASN  HD2-        5.50    (#   1216:10  Single Ambig)
 &rst
  ixpk= 1216, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1220,1221,1220,1221,
 igr2= 236, 237,
 &end
#
#   63 GLU  HN           65 LEU  HN          5.50    (#   1217:10  Unique    4.39, 4.43 A)
 &rst
  ixpk= 1217, nxpk= 10, iat= 998,1023, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1219    65 LEU  HN          2.80    (#   1219:10  Single Ambig)
 &rst
  ixpk= 1219, nxpk= 10, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1042,1013,
 &end
#
#   39 ARG  HG+          39 ARG  HE          5.50    (#   1221:10  Unique    2.38, 3.26 A)
 &rst
  ixpk= 1221, nxpk= 10, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 619, 620,
 &end
#
#   39 ARG  HG-          39 ARG  HE          5.50    (#   1222:10  Unique    2.38, 3.26 A)
 &rst
  ixpk= 1222, nxpk= 10, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 619, 620,
 &end
#
#   63 GLU  HG+          59 ASN  HD2+        5.50    (#   1223:10  Unique    3.04, 4.31 A)
 &rst
  ixpk= 1223, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1005,1006,
 igr2= 951, 952,
 &end
#
#   63 GLU  HG-          59 ASN  HD2+        5.50    (#   1224:10  Unique    3.04, 4.31 A)
 &rst
  ixpk= 1224, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1005,1006,
 igr2= 951, 952,
 &end
#
#   30 ASN  HN           29 PHE  HN          3.50    (#   1225:10  Unique    2.64, 2.69 A)
 &rst
  ixpk= 1225, nxpk= 10, iat= 467, 447, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 MET  HN           29 PHE  HN          5.50    (#   1226:10  Unique    4.46, 4.57 A)
 &rst
  ixpk= 1226, nxpk= 10, iat= 411, 447, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 PHE  HD           29 PHE  HN          3.50    (#   1227:10  Unique    2.13, 3.60 A)
 &rst
  ixpk= 1227, nxpk= 10, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 455, 463,
 &end
#
#   28 LEU  HN           29 PHE  HN          2.80    (#   1228:10  Unique    2.67, 2.76 A)
 &rst
  ixpk= 1228, nxpk= 10, iat= 428, 447, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   30 ASN  HN           30 ASN  HD2+        5.50    (#   1229:10  Unique    3.40, 5.18 A)
 &rst
  ixpk= 1229, nxpk= 10, iat= 467,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 476, 477,
 &end
#
#    0 AMB  10-2:1230    37 GLU  HN          7.00    (#   1230:10  Single Ambig)
 &rst
  ixpk= 1230, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 842, 846, 844,
 &end
#
#    0 AMB  10-2:1232     8 ASN  HN          5.50    (#   1232:10  Single Ambig)
 &rst
  ixpk= 1232, nxpk= 10, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1288,1268,
 &end
#
#    9 GLN  HN            8 ASN  HN          5.50    (#   1233:10  Unique    4.27, 4.33 A)
 &rst
  ixpk= 1233, nxpk= 10, iat= 119, 105, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 LEU  HN            8 ASN  HN          7.00    (#   1234:10  Unique    6.50, 6.73 A)
 &rst
  ixpk= 1234, nxpk= 10, iat= 895, 105, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   58 SER  HG            8 ASN  HN          5.50    (#   1235:10  Unique    3.13, 3.45 A)
 &rst
  ixpk= 1235, nxpk= 10, iat= 938, 105, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8 ASN  HA            8 ASN  HN          4.50    (#   1236:10  Unique    2.91, 2.94 A)
 &rst
  ixpk= 1236, nxpk= 10, iat= 107, 105, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 GLN  HB-           8 ASN  HN          5.50    (#   1237:10  Unique    5.29, 5.96 A)
 &rst
  ixpk= 1237, nxpk= 10, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  64,  65,
 &end
#
#   11 LEU  MDY           8 ASN  HN          5.50    (#   1238:10  Unique    4.03, 6.09 A)
 &rst
  ixpk= 1238, nxpk= 10, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 164, 165, 166, 168, 169, 170,
 &end
#
#   80 PHE  HB-           8 ASN  HN          5.50    (#   1239:10  Unique    3.47, 4.28 A)
 &rst
  ixpk= 1239, nxpk= 10, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1272,1273,
 &end
#
#    7 PRO  HG+           8 ASN  HN          5.50    (#   1240:10  Unique    4.78, 5.24 A)
 &rst
  ixpk= 1240, nxpk= 10, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  95,  96,
 &end
#
#   65 LEU  MDY          68 PHE  HN          5.50    (#   1241:10  Unique    5.19, 6.52 A)
 &rst
  ixpk= 1241, nxpk= 10, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#   68 PHE  HE           70 ILE  HN          5.50    (#   1242:10  Unique    4.53, 6.05 A)
 &rst
  ixpk= 1242, nxpk= 10, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1076,1080,
 &end
#
#   47 ILE  HB           13 LEU  HN          5.50    (#   1243:10  Unique    4.11, 4.30 A)
 &rst
  ixpk= 1243, nxpk= 10, iat= 756, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 VAL  MGX          13 LEU  HN          5.50    (#   1245:10  Unique    4.35, 7.12 A)
 &rst
  ixpk= 1245, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 807, 808, 809, 811, 812, 813,
 &end
#
#   51 GLU  HG-          36 LYS  HN          4.50    (#   1247:10  Unique    4.52, 5.33 A)
 &rst
  ixpk= 1247, nxpk= 10, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 824, 825,
 &end
#
#    0 AMB  10-2:1248    36 LYS  HN          4.50    (#   1248:10  Single Ambig)
 &rst
  ixpk= 1248, nxpk= 10, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 821, 822, 821, 822, 588, 589,
 &end
#
#   36 LYS  HD+          36 LYS  HN          5.50    (#   1249:10  Unique    3.97, 5.13 A)
 &rst
  ixpk= 1249, nxpk= 10, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 569, 570,
 &end
#
#    0 AMB  10-2:1250    51 GLU  HN          5.50    (#   1250:10  Single Ambig)
 &rst
  ixpk= 1250, nxpk= 10, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 840, 848, 625,
 &end
#
#    0 AMB  10-2:1251    51 GLU  HN          5.50    (#   1251:10  Single Ambig)
 &rst
  ixpk= 1251, nxpk= 10, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 842, 846, 844,
 &end
#
#    0 AMB  10-2:1253    51 GLU  HN          5.50    (#   1253:10  Single Ambig)
 &rst
  ixpk= 1253, nxpk= 10, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 583, 561, 935, 936,
 &end
#
#   37 GLU  HB+          51 GLU  HN          4.50    (#   1254:10  Unique    3.53, 4.34 A)
 &rst
  ixpk= 1254, nxpk= 10, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 585, 586,
 &end
#
#   67 GLY  HN           76 MET  HN          5.50    (#   1255:10  Unique    4.32, 4.38 A)
 &rst
  ixpk= 1255, nxpk= 10, iat=1059,1196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   67 GLY  HA+          76 MET  HN          5.50    (#   1257:10  Unique    4.17, 4.92 A)
 &rst
  ixpk= 1257, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1061,1062,
 &end
#
#   68 PHE  HA           76 MET  HN          5.50    (#   1258:10  Unique    4.58, 4.62 A)
 &rst
  ixpk= 1258, nxpk= 10, iat=1068,1196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1259    76 MET  HN          5.50    (#   1259:10  Single Ambig)
 &rst
  ixpk= 1259, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1110,1044,
 &end
#
#   15 ASN  HB+          76 MET  HN          5.50    (#   1260:10  Unique    5.48, 6.43 A)
 &rst
  ixpk= 1260, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 231, 232,
 &end
#
#   68 PHE  HB-          76 MET  HN          5.50    (#   1261:10  Unique    3.52, 4.32 A)
 &rst
  ixpk= 1261, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1070,1071,
 &end
#
#    0 AMB  10-2:1262    76 MET  HN          5.50    (#   1262:10  Single Ambig)
 &rst
  ixpk= 1262, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1096,1097,1245,1246,
 &end
#
#   16 LEU  MDX          76 MET  HN          5.50    (#   1264:10  Unique    5.02, 7.37 A)
 &rst
  ixpk= 1264, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 250, 251, 252, 254, 255, 256,
 &end
#
#   75 ALA  HA           75 ALA  HN          3.50    (#   1267:10  Unique    2.90, 2.92 A)
 &rst
  ixpk= 1267, nxpk= 10, iat=1188,1186, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   74 HIS  HA           75 ALA  HN          2.80    (#   1268:10  Unique    2.13, 2.20 A)
 &rst
  ixpk= 1268, nxpk= 10, iat=1171,1186, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   15 ASN  HB+          75 ALA  HN          5.50    (#   1269:10  Unique    4.96, 5.62 A)
 &rst
  ixpk= 1269, nxpk= 10, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 231, 232,
 &end
#
#   74 HIS  HB+          75 ALA  HN          4.50    (#   1270:10  Unique    3.83, 4.25 A)
 &rst
  ixpk= 1270, nxpk= 10, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1173,1174,
 &end
#
#    0 AMB  10-2:1271    75 ALA  HN          4.50    (#   1271:10  Single Ambig)
 &rst
  ixpk= 1271, nxpk= 10, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1099,1100,1173,1174,
 &end
#
#   69 LYS  HD+          75 ALA  HN          5.50    (#   1272:10  Unique    3.53, 3.94 A)
 &rst
  ixpk= 1272, nxpk= 10, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1096,1097,
 &end
#
#   69 LYS  HD-          75 ALA  HN          4.50    (#   1273:10  Unique    3.53, 3.94 A)
 &rst
  ixpk= 1273, nxpk= 10, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1096,1097,
 &end
#
#   75 ALA  MB           75 ALA  HN          2.80    (#   1274:10  Unique    2.40, 2.91 A)
 &rst
  ixpk= 1274, nxpk= 10, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1190,1191,1192,
 &end
#
#    0 AMB  10-2:1275    77 LYS  HN          5.50    (#   1275:10  Single Ambig)
 &rst
  ixpk= 1275, nxpk= 10, iat=  -1,1213, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 243, 229,
 &end
#
#    0 AMB  10-2:1276    77 LYS  HN          3.50    (#   1276:10  Single Ambig)
 &rst
  ixpk= 1276, nxpk= 10, iat=  -1,1213, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1220,1221,1220,1221,
 &end
#
#    0 AMB  10-2:1277    77 LYS  HN          5.50    (#   1277:10  Single Ambig)
 &rst
  ixpk= 1277, nxpk= 10, iat=  -1,1213, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1245,1246,1121,1122,1123,
 &end
#
#   13 LEU  MDX          77 LYS  HN          5.50    (#   1278:10  Unique    5.56, 6.59 A)
 &rst
  ixpk= 1278, nxpk= 10, iat=  -1,1213, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 203, 204, 205, 207, 208, 209,
 &end
#
#   14 THR  MG2          77 LYS  HN          5.50    (#   1279:10  Unique    5.82, 6.38 A)
 &rst
  ixpk= 1279, nxpk= 10, iat=  -1,1213, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 219, 220, 221,
 &end
#
#   15 ASN  HN           77 LYS  HN          5.50    (#   1280:10  Unique    4.94, 5.01 A)
 &rst
  ixpk= 1280, nxpk= 10, iat= 227,1213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   72 PRO  HA           73 THR  HN          5.50    (#   1282:10  Unique    2.21, 3.48 A)
 &rst
  ixpk= 1282, nxpk= 10, iat=1151,1155, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   72 PRO  HB+          73 THR  HN          5.50    (#   1283:10  Unique    2.65, 3.69 A)
 &rst
  ixpk= 1283, nxpk= 10, iat=  -1,1155, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1148,1149,
 &end
#
#    9 GLN  HE2+          9 GLN  HN          7.00    (#   1284:10  Unique    5.21, 5.60 A)
 &rst
  ixpk= 1284, nxpk= 10, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 131, 132,
 &end
#
#    8 ASN  HD2-          9 GLN  HN          5.50    (#   1285:10  Unique    3.65, 4.55 A)
 &rst
  ixpk= 1285, nxpk= 10, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 114, 115,
 &end
#
#    0 AMB  10-2:1286     9 GLN  HN          7.00    (#   1286:10  Single Ambig)
 &rst
  ixpk= 1286, nxpk= 10, iat=  -1, 119, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
 igr1=1327,1328,1327,1328,  98,  99,1292,1293,1294,
 &end
#
#   54 THR  HN           52 PHE  HN          5.50    (#   1288:10  Unique    5.25, 5.33 A)
 &rst
  ixpk= 1288, nxpk= 10, iat= 866, 832, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HN           52 PHE  HN          5.50    (#   1289:10  Unique    5.03, 5.20 A)
 &rst
  ixpk= 1289, nxpk= 10, iat= 155, 832, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8 ASN  HD2+         83 LYS  HN          5.50    (#   1290:10  Unique    2.67, 3.60 A)
 &rst
  ixpk= 1290, nxpk= 10, iat=  -1,1320, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 114, 115,
 &end
#
#    8 ASN  HD2-         83 LYS  HN          5.50    (#   1291:10  Unique    2.67, 3.60 A)
 &rst
  ixpk= 1291, nxpk= 10, iat=  -1,1320, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 114, 115,
 &end
#
#    5 GLN  HB+          83 LYS  HN          7.00    (#   1292:10  Unique    5.38, 6.31 A)
 &rst
  ixpk= 1292, nxpk= 10, iat=  -1,1320, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=  64,  65,
 &end
#
#    0 AMB  10-2:1293    83 LYS  HN          5.50    (#   1293:10  Single Ambig)
 &rst
  ixpk= 1293, nxpk= 10, iat=  -1,1320, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 149, 150, 151, 146, 147,
 &end
#
#   82 LYS  HG+          83 LYS  HN          4.50    (#   1294:10  Unique    3.94, 4.93 A)
 &rst
  ixpk= 1294, nxpk= 10, iat=  -1,1320, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1305,1306,
 &end
#
#   12 PHE  HN           11 LEU  HN          5.50    (#   1295:10  Unique    4.35, 4.43 A)
 &rst
  ixpk= 1295, nxpk= 10, iat= 174, 155, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 PHE  HD           11 LEU  HN          5.50    (#   1296:10  Unique    4.07, 6.18 A)
 &rst
  ixpk= 1296, nxpk= 10, iat=  -1, 155, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 789, 797,
 &end
#
#   48 ALA  HA           39 ARG  HN          5.50    (#   1298:10  Unique    4.75, 5.01 A)
 &rst
  ixpk= 1298, nxpk= 10, iat= 773, 612, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 GLN  HB-          78 ILE  HN          5.50    (#   1300:10  Unique    4.47, 5.33 A)
 &rst
  ixpk= 1300, nxpk= 10, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1046,1047,
 &end
#
#   10 ILE  HN           81 ALA  HN          5.50    (#   1302:10  Unique    3.92, 4.05 A)
 &rst
  ixpk= 1302, nxpk= 10, iat= 136,1288, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 PHE  HD           81 ALA  HN          5.50    (#   1303:10  Unique    5.14, 7.53 A)
 &rst
  ixpk= 1303, nxpk= 10, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 789, 797,
 &end
#
#    0 AMB  10-2:1305    81 ALA  HN          5.50    (#   1305:10  Single Ambig)
 &rst
  ixpk= 1305, nxpk= 10, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1258,  47,
 &end
#
#   11 LEU  HG           81 ALA  HN          5.50    (#   1306:10  Unique    4.61, 5.00 A)
 &rst
  ixpk= 1306, nxpk= 10, iat= 162,1288, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 PHE  HN           41 VAL  HN          5.50    (#   1308:10  Unique    4.24, 5.17 A)
 &rst
  ixpk= 1308, nxpk= 10, iat= 781, 655, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 ALA  HA           41 VAL  HN          4.50    (#   1309:10  Unique    2.50, 3.28 A)
 &rst
  ixpk= 1309, nxpk= 10, iat= 773, 655, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 PRO  HD-          41 VAL  HN          5.50    (#   1310:10  Unique    3.78, 4.78 A)
 &rst
  ixpk= 1310, nxpk= 10, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 672, 673,
 &end
#
#   48 ALA  MB           41 VAL  HN          4.50    (#   1311:10  Unique    4.02, 5.05 A)
 &rst
  ixpk= 1311, nxpk= 10, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 775, 776, 777,
 &end
#
#   72 PRO  HA           74 HIS  HN          4.50    (#   1319:10  Unique    3.56, 4.03 A)
 &rst
  ixpk= 1319, nxpk= 10, iat=1151,1169, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 PRO  HD-          74 HIS  HN          5.50    (#   1320:10  Unique    4.76, 5.80 A)
 &rst
  ixpk= 1320, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 261, 262,
 &end
#
#   69 LYS  HB-          74 HIS  HN          5.50    (#   1321:10  Unique    3.80, 5.36 A)
 &rst
  ixpk= 1321, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1090,1091,
 &end
#
#    4 GLU  HB+           4 GLU  HN          4.50    (#   1322:10  Unique    2.24, 3.21 A)
 &rst
  ixpk= 1322, nxpk= 10, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  49,  50,
 &end
#
#    5 GLN  HE2-          5 GLN  HN          5.50    (#   1323:10  Unique    3.95, 5.05 A)
 &rst
  ixpk= 1323, nxpk= 10, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  72,  73,
 &end
#
#   80 PHE  HB+           5 GLN  HN          5.50    (#   1324:10  Unique    2.12, 3.74 A)
 &rst
  ixpk= 1324, nxpk= 10, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1272,1273,
 &end
#
#   80 PHE  HB-           5 GLN  HN          5.50    (#   1325:10  Unique    2.12, 3.74 A)
 &rst
  ixpk= 1325, nxpk= 10, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1272,1273,
 &end
#
#   79 THR  MG2           5 GLN  HN          5.50    (#   1326:10  Unique    3.95, 5.59 A)
 &rst
  ixpk= 1326, nxpk= 10, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1260,1261,1262,
 &end
#
#    0 AMB  10-2:1327     0 AMB  10-1:1327   5.50    (#   1327:10  Double Ambig)
 &rst
  ixpk= 1327, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1288, 781,
 igr2=1298, 636,
 &end
#
#   49 PHE  HD            0 AMB  10-1:1328   5.50    (#   1328:10  Single Ambig)
 &rst
  ixpk= 1328, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 789, 797,
 igr2=1298, 636,
 &end
#
#   81 ALA  HA           82 LYS  HN          2.80    (#   1329:10  Unique    2.19, 2.36 A)
 &rst
  ixpk= 1329, nxpk= 10, iat=1290,1298, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   82 LYS  HA           82 LYS  HN          3.50    (#   1330:10  Unique    2.93, 2.97 A)
 &rst
  ixpk= 1330, nxpk= 10, iat=1300,1298, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 PRO  HD-          40 LEU  HN          5.50    (#   1331:10  Unique    4.40, 6.14 A)
 &rst
  ixpk= 1331, nxpk= 10, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 672, 673,
 &end
#
#    0 AMB  10-2:1332    82 LYS  HN          4.50    (#   1332:10  Single Ambig)
 &rst
  ixpk= 1332, nxpk= 10, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1311,1312,1311,1312, 178, 179,1333,1334,1333,1334,
      
 &end
#
#    0 AMB  10-2:1333    82 LYS  HN          4.50    (#   1333:10  Single Ambig)
 &rst
  ixpk= 1333, nxpk= 10, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  67,  68, 178, 179,
 &end
#
#    0 AMB  10-2:1335    40 LEU  HN          2.80    (#   1335:10  Single Ambig)
 &rst
  ixpk= 1335, nxpk= 10, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 640, 641, 616, 617,
 &end
#
#   66 GLN  HN           68 PHE  HN          5.50    (#   1343:10  Unique    4.56, 4.63 A)
 &rst
  ixpk= 1343, nxpk= 10, iat=1042,1066, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   67 GLY  HA+          68 PHE  HN          3.50    (#   1346:10  Unique    3.26, 3.38 A)
 &rst
  ixpk= 1346, nxpk= 10, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1061,1062,
 &end
#
#    0 AMB  10-2:1347    68 PHE  HN          5.50    (#   1347:10  Single Ambig)
 &rst
  ixpk= 1347, nxpk= 10, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1027,1028,1027,1028,1118,1119,
 &end
#
#   65 LEU  HN           66 GLN  HN          3.50    (#   1351:10  Unique    2.34, 2.39 A)
 &rst
  ixpk= 1351, nxpk= 10, iat=1023,1042, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 LYS  HA           66 GLN  HN          5.50    (#   1352:10  Unique    3.47, 3.74 A)
 &rst
  ixpk= 1352, nxpk= 10, iat= 978,1042, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 LEU  MDX          66 GLN  HN          5.50    (#   1353:10  Unique    5.30, 6.29 A)
 &rst
  ixpk= 1353, nxpk= 10, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#   59 ASN  HN           56 LEU  HN          5.50    (#   1354:10  Unique    4.53, 4.65 A)
 &rst
  ixpk= 1354, nxpk= 10, iat= 942, 895, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 ALA  HN           56 LEU  HN          7.00    (#   1355:10  Unique    5.89, 5.95 A)
 &rst
  ixpk= 1355, nxpk= 10, iat= 956, 895, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   57 GLN  HB-          56 LEU  HN          5.50    (#   1357:10  Unique    4.76, 5.51 A)
 &rst
  ixpk= 1357, nxpk= 10, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 918, 919,
 &end
#
#    0 AMB  10-2:1358    38 VAL  HN          4.50    (#   1358:10  Single Ambig)
 &rst
  ixpk= 1358, nxpk= 10, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 339, 340, 339, 340,
 &end
#
#   38 VAL  HB           38 VAL  HN          4.50    (#   1359:10  Unique    2.59, 3.01 A)
 &rst
  ixpk= 1359, nxpk= 10, iat= 600, 596, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 GLU  HB+          38 VAL  HN          3.50    (#   1360:10  Unique    2.40, 3.64 A)
 &rst
  ixpk= 1360, nxpk= 10, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 585, 586,
 &end
#
#   50 VAL  MGX          38 VAL  HN          5.50    (#   1361:10  Unique    5.00, 6.45 A)
 &rst
  ixpk= 1361, nxpk= 10, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 807, 808, 809, 811, 812, 813,
 &end
#
#    9 GLN  HN           55 GLU  HN          5.50    (#   1362:10  Unique    4.52, 4.67 A)
 &rst
  ixpk= 1362, nxpk= 10, iat= 119, 880, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 SER  HN           55 GLU  HN          5.50    (#   1363:10  Unique    4.84, 4.93 A)
 &rst
  ixpk= 1363, nxpk= 10, iat= 931, 880, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 THR  HN           55 GLU  HN          5.50    (#   1364:10  Unique    4.31, 4.33 A)
 &rst
  ixpk= 1364, nxpk= 10, iat= 866, 880, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    9 GLN  HE2+         55 GLU  HN          5.50    (#   1365:10  Unique    5.62, 5.84 A)
 &rst
  ixpk= 1365, nxpk= 10, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 131, 132,
 &end
#
#   57 GLN  HN           55 GLU  HN          5.50    (#   1366:10  Unique    4.18, 4.24 A)
 &rst
  ixpk= 1366, nxpk= 10, iat= 914, 880, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    7 PRO  HB-          55 GLU  HN          5.50    (#   1368:10  Unique    5.68, 6.23 A)
 &rst
  ixpk= 1368, nxpk= 10, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  98,  99,
 &end
#
#   53 THR  MG2          55 GLU  HN          5.50    (#   1369:10  Unique    5.93, 6.94 A)
 &rst
  ixpk= 1369, nxpk= 10, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 858, 859, 860,
 &end
#
#   56 LEU  MDX          55 GLU  HN          5.50    (#   1370:10  Unique    4.08, 5.96 A)
 &rst
  ixpk= 1370, nxpk= 10, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 904, 905, 906, 908, 909, 910,
 &end
#
#    0 AMB  10-2:1371    79 THR  HN          4.50    (#   1371:10  Single Ambig)
 &rst
  ixpk= 1371, nxpk= 10, iat=  -1,1254, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1268,1288,
 &end
#
#    0 AMB  10-2:1373    79 THR  HN          5.50    (#   1373:10  Single Ambig)
 &rst
  ixpk= 1373, nxpk= 10, iat=  -1,1254, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 980, 981,1292,1293,1294,
 &end
#
#    0 AMB  10-2:1374    79 THR  HN          5.50    (#   1374:10  Single Ambig)
 &rst
  ixpk= 1374, nxpk= 10, iat=  -1,1254, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 983, 984, 983, 984,
 &end
#
#   19 GLU  HA           18 GLU  HN          5.50    (#   1378:10  Unique    5.25, 5.30 A)
 &rst
  ixpk= 1378, nxpk= 10, iat= 291, 274, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 PRO  HD-          18 GLU  HN          5.50    (#   1379:10  Unique    5.52, 5.63 A)
 &rst
  ixpk= 1379, nxpk= 10, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 261, 262,
 &end
#
#   45 HIS  HB+          18 GLU  HN          5.50    (#   1380:10  Unique    4.79, 5.83 A)
 &rst
  ixpk= 1380, nxpk= 10, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 727, 728,
 &end
#
#   24 MET  HB-          21 ASN  HN          3.50    (#   1382:10  Unique    2.21, 3.16 A)
 &rst
  ixpk= 1382, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 368, 369,
 &end
#
#   20 THR  MG2          21 ASN  HN          3.50    (#   1383:10  Unique    2.21, 2.83 A)
 &rst
  ixpk= 1383, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 310, 311, 312,
 &end
#
#   32 PHE  HD           32 PHE  HN          3.50    (#   1384:10  Unique    3.02, 3.72 A)
 &rst
  ixpk= 1384, nxpk= 10, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 506, 514,
 &end
#
#   35 PHE  HB-          32 PHE  HN          5.50    (#   1385:10  Unique    3.34, 3.77 A)
 &rst
  ixpk= 1385, nxpk= 10, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 543, 544,
 &end
#
#    0 AMB  10-2:1386    32 PHE  HN          5.50    (#   1386:10  Single Ambig)
 &rst
  ixpk= 1386, nxpk= 10, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 471, 472, 522, 523,
 &end
#
#   31 GLN  HB-          32 PHE  HN          4.50    (#   1387:10  Unique    3.38, 3.92 A)
 &rst
  ixpk= 1387, nxpk= 10, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 485, 486,
 &end
#
#   79 THR  HN           80 PHE  HN          5.50    (#   1388:10  Unique    4.33, 4.37 A)
 &rst
  ixpk= 1388, nxpk= 10, iat=1254,1268, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 PHE  HN           80 PHE  HN          5.50    (#   1389:10  Unique    4.76, 4.87 A)
 &rst
  ixpk= 1389, nxpk= 10, iat= 174,1268, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1394    80 PHE  HN          5.50    (#   1394:10  Single Ambig)
 &rst
  ixpk= 1394, nxpk= 10, iat=  -1,1268, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  67,  68, 178, 179,
 &end
#
#   62 LYS  HE+          80 PHE  HN          5.50    (#   1395:10  Unique    3.36, 5.02 A)
 &rst
  ixpk= 1395, nxpk= 10, iat=  -1,1268, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 989, 990,
 &end
#
#   62 LYS  HE-          80 PHE  HN          4.50    (#   1396:10  Unique    3.36, 5.02 A)
 &rst
  ixpk= 1396, nxpk= 10, iat=  -1,1268, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 989, 990,
 &end
#
#    5 GLN  HB-          80 PHE  HN          4.50    (#   1397:10  Unique    4.21, 5.32 A)
 &rst
  ixpk= 1397, nxpk= 10, iat=  -1,1268, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  64,  65,
 &end
#
#    0 AMB  10-2:1398    80 PHE  HN          7.00    (#   1398:10  Single Ambig)
 &rst
  ixpk= 1398, nxpk= 10, iat=  -1,1268, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
 igr1= 980, 981,1292,1293,1294,
 &end
#
#   58 SER  HN           61 ALA  HN          5.50    (#   1399:10  Unique    4.72, 4.76 A)
 &rst
  ixpk= 1399, nxpk= 10, iat= 931, 966, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1400    61 ALA  HN          5.50    (#   1400:10  Single Ambig)
 &rst
  ixpk= 1400, nxpk= 10, iat=  -1, 966, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 951, 952,1023, 895,
 &end
#
#    0 AMB  10-2:1402    61 ALA  HN          5.50    (#   1402:10  Single Ambig)
 &rst
  ixpk= 1402, nxpk= 10, iat=  -1, 966, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1005,1006, 921, 922, 921, 922,
 &end
#
#   63 GLU  HG-          61 ALA  HN          5.50    (#   1403:10  Unique    5.05, 6.28 A)
 &rst
  ixpk= 1403, nxpk= 10, iat=  -1, 966, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1005,1006,
 &end
#
#    0 AMB  10-2:1404    61 ALA  HN          5.50    (#   1404:10  Single Ambig)
 &rst
  ixpk= 1404, nxpk= 10, iat=  -1, 966, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 946, 947, 946, 947,
 &end
#
#   45 HIS  HB-          45 HIS  HN          5.50    (#   1411:10  Unique    2.30, 3.35 A)
 &rst
  ixpk= 1411, nxpk= 10, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 727, 728,
 &end
#
#   45 HIS  HB+          45 HIS  HN          5.50    (#   1412:10  Unique    2.30, 3.35 A)
 &rst
  ixpk= 1412, nxpk= 10, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 727, 728,
 &end
#
#   44 ARG  HB-          45 HIS  HN          5.50    (#   1413:10  Unique    2.28, 3.47 A)
 &rst
  ixpk= 1413, nxpk= 10, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 703, 704,
 &end
#
#   40 LEU  HB-          45 HIS  HN          5.50    (#   1414:10  Unique    4.09, 6.17 A)
 &rst
  ixpk= 1414, nxpk= 10, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 640, 641,
 &end
#
#   44 ARG  HN           45 HIS  HN          5.50    (#   1415:10  Unique    1.90, 3.47 A)
 &rst
  ixpk= 1415, nxpk= 10, iat= 699, 723, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1416    57 GLN  HN          5.50    (#   1416:10  Single Ambig)
 &rst
  ixpk= 1416, nxpk= 10, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 836, 837, 836, 837,
 &end
#
#   58 SER  HA           57 GLN  HN          5.50    (#   1417:10  Unique    5.19, 5.24 A)
 &rst
  ixpk= 1417, nxpk= 10, iat= 933, 914, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1418    10 ILE  HN          3.50    (#   1418:10  Single Ambig)
 &rst
  ixpk= 1418, nxpk= 10, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 146, 147, 149, 150, 151,
 &end
#
#    0 AMB  10-2:1419    22 GLU  HN          5.50    (#   1419:10  Single Ambig)
 &rst
  ixpk= 1419, nxpk= 10, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 349, 383,
 &end
#
#   20 THR  HA           22 GLU  HN          7.00    (#   1420:10  Unique    6.37, 6.43 A)
 &rst
  ixpk= 1420, nxpk= 10, iat= 306, 332, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   22 GLU  HB-          22 GLU  HN          3.50    (#   1421:10  Unique    2.17, 2.41 A)
 &rst
  ixpk= 1421, nxpk= 10, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 336, 337,
 &end
#
#   25 LEU  HG           22 GLU  HN          7.00    (#   1422:10  Unique    5.42, 5.50 A)
 &rst
  ixpk= 1422, nxpk= 10, iat= 388, 332, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   59 ASN  HD2+         60 ALA  HN          4.50    (#   1423:10  Unique    3.02, 4.22 A)
 &rst
  ixpk= 1423, nxpk= 10, iat=  -1, 956, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 951, 952,
 &end
#
#   57 GLN  HN           60 ALA  HN          5.50    (#   1424:10  Unique    4.55, 4.61 A)
 &rst
  ixpk= 1424, nxpk= 10, iat= 914, 956, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 ASN  HD2-         60 ALA  HN          4.50    (#   1425:10  Unique    3.02, 4.22 A)
 &rst
  ixpk= 1425, nxpk= 10, iat=  -1, 956, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 951, 952,
 &end
#
#   61 ALA  HN           60 ALA  HN          3.50    (#   1426:10  Unique    2.74, 2.77 A)
 &rst
  ixpk= 1426, nxpk= 10, iat= 966, 956, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 SER  HA           60 ALA  HN          5.50    (#   1427:10  Unique    4.47, 4.57 A)
 &rst
  ixpk= 1427, nxpk= 10, iat= 933, 956, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 ALA  HA           60 ALA  HN          5.50    (#   1428:10  Unique    5.38, 5.41 A)
 &rst
  ixpk= 1428, nxpk= 10, iat= 968, 956, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1429    60 ALA  HN          5.50    (#   1429:10  Single Ambig)
 &rst
  ixpk= 1429, nxpk= 10, iat=  -1, 956, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1005,1006, 921, 922, 921, 922,
 &end
#
#   63 GLU  HG-          60 ALA  HN          5.50    (#   1430:10  Unique    4.81, 5.53 A)
 &rst
  ixpk= 1430, nxpk= 10, iat=  -1, 956, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1005,1006,
 &end
#
#    0 AMB  10-2:1431    60 ALA  HN          5.50    (#   1431:10  Single Ambig)
 &rst
  ixpk= 1431, nxpk= 10, iat=  -1, 956, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 980, 981,1002,1003,
 &end
#
#    0 AMB  10-2:1432    60 ALA  HN          4.50    (#   1432:10  Single Ambig)
 &rst
  ixpk= 1432, nxpk= 10, iat=  -1, 956, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 899, 900, 902,
 &end
#
#    0 AMB  10-2:1433    60 ALA  HN          4.50    (#   1433:10  Single Ambig)
 &rst
  ixpk= 1433, nxpk= 10, iat=  -1, 956, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 970, 971, 972, 986, 987,
 &end
#
#   39 ARG  HN           50 VAL  HN          5.50    (#   1434:10  Unique    4.78, 4.84 A)
 &rst
  ixpk= 1434, nxpk= 10, iat= 612, 801, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   81 ALA  MB           50 VAL  HN          5.50    (#   1437:10  Unique    4.54, 5.76 A)
 &rst
  ixpk= 1437, nxpk= 10, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1292,1293,1294,
 &end
#
#   22 GLU  HN           24 MET  HN          5.50    (#   1438:10  Unique    4.23, 4.30 A)
 &rst
  ixpk= 1438, nxpk= 10, iat= 332, 364, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 MET  HN           24 MET  HN          5.50    (#   1439:10  Unique    4.62, 4.71 A)
 &rst
  ixpk= 1439, nxpk= 10, iat= 411, 364, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1440    24 MET  HN          7.00    (#   1440:10  Single Ambig)
 &rst
  ixpk= 1440, nxpk= 10, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 375, 376, 377, 358, 359, 360,
 &end
#
#   21 ASN  HB-          24 MET  HN          5.50    (#   1441:10  Unique    2.81, 3.98 A)
 &rst
  ixpk= 1441, nxpk= 10, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 322, 323,
 &end
#
#   25 LEU  MDY          24 MET  HN          5.50    (#   1442:10  Unique    5.07, 6.54 A)
 &rst
  ixpk= 1442, nxpk= 10, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 390, 391, 392, 394, 395, 396,
 &end
#
#   23 MET  HB+          24 MET  HN          2.80    (#   1443:10  Unique    2.77, 3.38 A)
 &rst
  ixpk= 1443, nxpk= 10, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 351, 352,
 &end
#
#   25 LEU  HB-          24 MET  HN          5.50    (#   1444:10  Unique    4.68, 5.51 A)
 &rst
  ixpk= 1444, nxpk= 10, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 385, 386,
 &end
#
#   20 THR  MG2          24 MET  HN          5.50    (#   1445:10  Unique    4.62, 5.27 A)
 &rst
  ixpk= 1445, nxpk= 10, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 310, 311, 312,
 &end
#
#    0 AMB  10-2:1446    24 MET  HN          5.50    (#   1446:10  Single Ambig)
 &rst
  ixpk= 1446, nxpk= 10, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 602, 603, 604, 606, 607, 608, 432, 433,
 &end
#
#   25 LEU  MDX          24 MET  HN          5.50    (#   1447:10  Unique    5.07, 6.54 A)
 &rst
  ixpk= 1447, nxpk= 10, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 390, 391, 392, 394, 395, 396,
 &end
#
#   25 LEU  HG           24 MET  HN          5.50    (#   1448:10  Unique    4.40, 4.51 A)
 &rst
  ixpk= 1448, nxpk= 10, iat= 388, 364, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   78 ILE  HN           67 GLY  HN          5.50    (#   1449:10  Unique    4.44, 4.70 A)
 &rst
  ixpk= 1449, nxpk= 10, iat=1235,1059, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 GLN  HE2+         67 GLY  HN          5.50    (#   1450:10  Unique    4.99, 5.97 A)
 &rst
  ixpk= 1450, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1054,1055,
 &end
#
#    0 AMB  10-2:1451    67 GLY  HN          5.50    (#   1451:10  Single Ambig)
 &rst
  ixpk= 1451, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1054,1055,1086,
 &end
#
#   66 GLN  HN           67 GLY  HN          5.50    (#   1452:10  Unique    4.53, 4.57 A)
 &rst
  ixpk= 1452, nxpk= 10, iat=1042,1059, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   76 MET  HB+          67 GLY  HN          5.50    (#   1455:10  Unique    3.37, 4.29 A)
 &rst
  ixpk= 1455, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1200,1201,
 &end
#
#   78 ILE  HG1+         67 GLY  HN          5.50    (#   1456:10  Unique    3.66, 4.95 A)
 &rst
  ixpk= 1456, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1245,1246,
 &end
#
#   78 ILE  MG2          67 GLY  HN          7.00    (#   1457:10  Unique    6.81, 7.69 A)
 &rst
  ixpk= 1457, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1241,1242,1243,
 &end
#
#   65 LEU  HN           64 ALA  HN          3.50    (#   1458:10  Unique    2.67, 2.70 A)
 &rst
  ixpk= 1458, nxpk= 10, iat=1023,1013, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 LEU  HA           64 ALA  HN          5.50    (#   1462:10  Unique    5.31, 5.33 A)
 &rst
  ixpk= 1462, nxpk= 10, iat=1025,1013, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 ALA  HA           64 ALA  HN          5.50    (#   1463:10  Unique    3.96, 4.09 A)
 &rst
  ixpk= 1463, nxpk= 10, iat= 958,1013, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   64 ALA  MB           64 ALA  HN          2.80    (#   1464:10  Unique    2.38, 2.82 A)
 &rst
  ixpk= 1464, nxpk= 10, iat=  -1,1013, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1017,1018,1019,
 &end
#
#   65 LEU  HG           64 ALA  HN          5.50    (#   1465:10  Unique    4.52, 4.53 A)
 &rst
  ixpk= 1465, nxpk= 10, iat=1030,1013, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1466    64 ALA  HN          4.50    (#   1466:10  Single Ambig)
 &rst
  ixpk= 1466, nxpk= 10, iat=  -1,1013, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 986, 987, 970, 971, 972,
 &end
#
#   65 LEU  MDY          64 ALA  HN          5.50    (#   1467:10  Unique    5.86, 6.69 A)
 &rst
  ixpk= 1467, nxpk= 10, iat=  -1,1013, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#    0 AMB  10-2:1468     0 AMB  10-1:1468   5.50    (#   1468:10  Double Ambig)
 &rst
  ixpk= 1468, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 789, 797, 510,
 igr2= 771, 976,
 &end
#
#   42 PRO  HB+          44 ARG  HN          7.00    (#   1470:10  Unique    4.66, 5.87 A)
 &rst
  ixpk= 1470, nxpk= 10, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 678, 679,
 &end
#
#   24 MET  HN           27 MET  HN          5.50    (#   1472:10  Unique    4.62, 4.71 A)
 &rst
  ixpk= 1472, nxpk= 10, iat= 364, 411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ASN  HN           27 MET  HN          5.50    (#   1473:10  Unique    4.64, 4.71 A)
 &rst
  ixpk= 1473, nxpk= 10, iat= 467, 411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 LEU  MDX          27 MET  HN          5.50    (#   1476:10  Unique    5.97, 6.95 A)
 &rst
  ixpk= 1476, nxpk= 10, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 437, 438, 439, 441, 442, 443,
 &end
#
#   29 PHE  HN           26 SER  HN          5.50    (#   1477:10  Unique    4.84, 4.88 A)
 &rst
  ixpk= 1477, nxpk= 10, iat= 447, 400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 PHE  HD           26 SER  HN          5.50    (#   1478:10  Unique    4.57, 6.98 A)
 &rst
  ixpk= 1478, nxpk= 10, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 455, 463,
 &end
#
#    0 AMB  10-2:1479    26 SER  HN          7.00    (#   1479:10  Single Ambig)
 &rst
  ixpk= 1479, nxpk= 10, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 549, 553, 318,
 &end
#
#    0 AMB  10-2:1480    26 SER  HN          5.50    (#   1480:10  Single Ambig)
 &rst
  ixpk= 1480, nxpk= 10, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 354, 355, 371, 372, 471, 472,
 &end
#
#    0 AMB  10-2:1481    26 SER  HN          4.50    (#   1481:10  Single Ambig)
 &rst
  ixpk= 1481, nxpk= 10, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 415, 416, 415, 416, 351, 352, 336, 337,
 &end
#
#   10 ILE  HN            8 ASN  HN          5.50    (#   1482:10  Unique    4.20, 4.34 A)
 &rst
  ixpk= 1482, nxpk= 10, iat= 136, 105, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   19 GLU  HN           20 THR  HN          3.50    (#   1483:10  Unique    2.67, 2.79 A)
 &rst
  ixpk= 1483, nxpk= 10, iat= 289, 304, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 ASN  HA           20 THR  HN          5.50    (#   1484:10  Unique    5.52, 5.54 A)
 &rst
  ixpk= 1484, nxpk= 10, iat= 320, 304, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   16 LEU  HA           20 THR  HN          7.00    (#   1486:10  Unique    5.98, 6.13 A)
 &rst
  ixpk= 1486, nxpk= 10, iat= 243, 304, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   20 THR  MG2          20 THR  HN          4.50    (#   1488:10  Unique    4.40, 4.56 A)
 &rst
  ixpk= 1488, nxpk= 10, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 310, 311, 312,
 &end
#
#    0 AMB  10-2:1489    20 THR  HN          5.50    (#   1489:10  Single Ambig)
 &rst
  ixpk= 1489, nxpk= 10, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 250, 251, 252, 254, 255, 256, 645, 646, 647, 649,
       650, 651,
 &end
#
#   61 ALA  HN           58 SER  HN          5.50    (#   1491:10  Unique    4.72, 4.76 A)
 &rst
  ixpk= 1491, nxpk= 10, iat= 966, 931, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 THR  HB           58 SER  HN          5.50    (#   1492:10  Unique    4.82, 5.02 A)
 &rst
  ixpk= 1492, nxpk= 10, iat= 870, 931, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 ASN  HA           58 SER  HN          5.50    (#   1493:10  Unique    5.28, 5.35 A)
 &rst
  ixpk= 1493, nxpk= 10, iat= 944, 931, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 THR  MG2          58 SER  HN          7.00    (#   1494:10  Unique    6.84, 7.09 A)
 &rst
  ixpk= 1494, nxpk= 10, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 872, 873, 874,
 &end
#
#   61 ALA  MB           58 SER  HN          5.50    (#   1495:10  Unique    5.13, 5.86 A)
 &rst
  ixpk= 1495, nxpk= 10, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 970, 971, 972,
 &end
#
#   26 SER  HA           28 LEU  HN          4.50    (#   1497:10  Unique    4.33, 4.47 A)
 &rst
  ixpk= 1497, nxpk= 10, iat= 402, 428, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1498    28 LEU  HN          3.50    (#   1498:10  Single Ambig)
 &rst
  ixpk= 1498, nxpk= 10, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 415, 416, 415, 416,
 &end
#
#   35 PHE  HB+          30 ASN  HN          5.50    (#   1500:10  Unique    4.79, 5.29 A)
 &rst
  ixpk= 1500, nxpk= 10, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 543, 544,
 &end
#
#   38 VAL  MGX          30 ASN  HN          5.50    (#   1501:10  Unique    5.91, 7.79 A)
 &rst
  ixpk= 1501, nxpk= 10, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  10-2:1504    30 ASN  HN          5.50    (#   1504:10  Single Ambig)
 &rst
  ixpk= 1504, nxpk= 10, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1032,1033,1034,1036,1037,1038, 437, 438, 439, 441,
       442, 443,
 &end
#
#    0 AMB  10-2:1505     3 THR  HN          5.50    (#   1505:10  Single Ambig)
 &rst
  ixpk= 1505, nxpk= 10, iat=  -1,  31, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  45,  14,
 &end
#
#    2 GLN  HB+           3 THR  HN          5.50    (#   1508:10  Unique    2.28, 3.23 A)
 &rst
  ixpk= 1508, nxpk= 10, iat=  -1,  31, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  18,  19,
 &end
#
#    0 AMB  10-2:1509    16 LEU  HN          5.50    (#   1509:10  Single Ambig)
 &rst
  ixpk= 1509, nxpk= 10, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 752, 236, 237,
 &end
#
#   47 ILE  HA           16 LEU  HN          5.50    (#   1510:10  Unique    3.78, 3.85 A)
 &rst
  ixpk= 1510, nxpk= 10, iat= 754, 241, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 ASN  HB+          16 LEU  HN          5.50    (#   1511:10  Unique    4.22, 4.48 A)
 &rst
  ixpk= 1511, nxpk= 10, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 231, 232,
 &end
#
#   17 PRO  HD+          16 LEU  HN          5.50    (#   1512:10  Unique    4.95, 5.07 A)
 &rst
  ixpk= 1512, nxpk= 10, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 261, 262,
 &end
#
#   14 THR  HN           15 ASN  HN          5.50    (#   1513:10  Unique    4.38, 4.40 A)
 &rst
  ixpk= 1513, nxpk= 10, iat= 213, 227, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 ILE  HA           15 ASN  HN          5.50    (#   1514:10  Unique    4.09, 4.18 A)
 &rst
  ixpk= 1514, nxpk= 10, iat= 754, 227, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 ASN  HB+          15 ASN  HN          4.50    (#   1515:10  Unique    3.01, 3.36 A)
 &rst
  ixpk= 1515, nxpk= 10, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 231, 232,
 &end
#
#    0 AMB  10-2:1516     0 AMB  10-1:1516   4.50    (#   1516:10  Double Ambig)
 &rst
  ixpk= 1516, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 198, 199, 198, 199,
 igr2= 781, 227,
 &end
#
#   26 SER  HA           25 LEU  HN          5.50    (#   1518:10  Unique    5.22, 5.24 A)
 &rst
  ixpk= 1518, nxpk= 10, iat= 402, 381, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 SER  HN           53 THR  HN          5.50    (#   1519:10  Unique    5.50, 5.52 A)
 &rst
  ixpk= 1519, nxpk= 10, iat= 931, 852, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 PHE  HN           53 THR  HN          5.50    (#   1520:10  Unique    4.85, 4.89 A)
 &rst
  ixpk= 1520, nxpk= 10, iat= 539, 852, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1521    53 THR  HN          5.50    (#   1521:10  Single Ambig)
 &rst
  ixpk= 1521, nxpk= 10, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 572, 573, 572, 573,
 &end
#
#   57 GLN  HB-          53 THR  HN          5.50    (#   1522:10  Unique    3.78, 4.50 A)
 &rst
  ixpk= 1522, nxpk= 10, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 918, 919,
 &end
#
#   36 LYS  HG-          53 THR  HN          4.50    (#   1523:10  Unique    2.51, 3.81 A)
 &rst
  ixpk= 1523, nxpk= 10, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 566, 567,
 &end
#
#   36 LYS  HD+          53 THR  HN          5.50    (#   1524:10  Unique    3.32, 4.10 A)
 &rst
  ixpk= 1524, nxpk= 10, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 569, 570,
 &end
#
#   18 GLU  HA           19 GLU  HN          3.50    (#   1526:10  Unique    3.37, 3.47 A)
 &rst
  ixpk= 1526, nxpk= 10, iat= 276, 289, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 HIS  HB+          19 GLU  HN          5.50    (#   1527:10  Unique    4.99, 5.78 A)
 &rst
  ixpk= 1527, nxpk= 10, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 727, 728,
 &end
#
#   19 GLU  HB+          19 GLU  HN          2.80    (#   1528:10  Unique    2.40, 3.00 A)
 &rst
  ixpk= 1528, nxpk= 10, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 293, 294,
 &end
#
#   62 LYS  HA           65 LEU  HN          5.50    (#   1529:10  Unique    3.38, 3.51 A)
 &rst
  ixpk= 1529, nxpk= 10, iat= 978,1023, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 ALA  HA           65 LEU  HN          5.50    (#   1530:10  Unique    3.96, 4.02 A)
 &rst
  ixpk= 1530, nxpk= 10, iat= 968,1023, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 GLN  HB+          65 LEU  HN          5.50    (#   1531:10  Unique    4.35, 5.11 A)
 &rst
  ixpk= 1531, nxpk= 10, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1046,1047,
 &end
#
#    0 AMB  10-2:1532    65 LEU  HN          5.50    (#   1532:10  Single Ambig)
 &rst
  ixpk= 1532, nxpk= 10, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1049,1050,1002,1003,
 &end
#
#    0 AMB  10-2:1533    65 LEU  HN          5.50    (#   1533:10  Single Ambig)
 &rst
  ixpk= 1533, nxpk= 10, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1002,1003, 980, 981,
 &end
#
#   63 GLU  HB-          63 GLU  HN          3.50    (#   1537:10  Unique    2.19, 3.03 A)
 &rst
  ixpk= 1537, nxpk= 10, iat=  -1, 998, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1002,1003,
 &end
#
#   32 PHE  HA           31 GLN  HN          5.50    (#   1538:10  Unique    5.34, 5.38 A)
 &rst
  ixpk= 1538, nxpk= 10, iat= 500, 481, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 PHE  HB+          31 GLN  HN          5.50    (#   1539:10  Unique    5.10, 5.75 A)
 &rst
  ixpk= 1539, nxpk= 10, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 502, 503,
 &end
#
#   35 PHE  HB-          31 GLN  HN          5.50    (#   1540:10  Unique    5.30, 5.61 A)
 &rst
  ixpk= 1540, nxpk= 10, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 543, 544,
 &end
#
#   42 PRO  HD+          43 ASN  HN          5.50    (#   1543:10  Unique    3.71, 4.68 A)
 &rst
  ixpk= 1543, nxpk= 10, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 672, 673,
 &end
#
#   42 PRO  HD-          43 ASN  HN          5.50    (#   1544:10  Unique    3.71, 4.68 A)
 &rst
  ixpk= 1544, nxpk= 10, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 672, 673,
 &end
#
#    0 AMB  10-2:1545    43 ASN  HN          5.50    (#   1545:10  Single Ambig)
 &rst
  ixpk= 1545, nxpk= 10, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 706, 707, 706, 707,
 &end
#
#    0 AMB  10-2:1547     0 AMB  10-1:1547   5.50    (#   1547:10  Double Ambig)
 &rst
  ixpk= 1547, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 703, 704, 678, 679,
 igr2= 694, 695, 694, 695,
 &end
#
#    3 THR  HB            5 GLN  HE2+        5.50    (#   1548:10  Unique    2.22, 4.73 A)
 &rst
  ixpk= 1548, nxpk= 10, iat=  35,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  72,  73,
 &end
#
#   43 ASN  HA           43 ASN  HD2-        5.50    (#   1549:10  Unique    2.48, 4.51 A)
 &rst
  ixpk= 1549, nxpk= 10, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 694, 695,
 &end
#
#    3 THR  HB            5 GLN  HE2-        5.50    (#   1550:10  Unique    2.22, 4.73 A)
 &rst
  ixpk= 1550, nxpk= 10, iat=  35,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  72,  73,
 &end
#
#    4 GLU  HA            5 GLN  HE2-        5.50    (#   1551:10  Unique    4.26, 5.62 A)
 &rst
  ixpk= 1551, nxpk= 10, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  72,  73,
 &end
#
#    3 THR  MG2           5 GLN  HE2-        5.50    (#   1552:10  Unique    2.82, 5.46 A)
 &rst
  ixpk= 1552, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  37,  38,  39,
 igr2=  72,  73,
 &end
#
#   30 ASN  HB+          29 PHE  HN          5.50    (#   1554:10  Unique    4.62, 5.05 A)
 &rst
  ixpk= 1554, nxpk= 10, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 471, 472,
 &end
#
#   38 VAL  MGX          29 PHE  HN          5.50    (#   1555:10  Unique    4.67, 6.51 A)
 &rst
  ixpk= 1555, nxpk= 10, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 602, 603, 604, 606, 607, 608,
 &end
#
#   25 LEU  MDX          29 PHE  HN          4.50    (#   1556:10  Unique    5.16, 6.59 A)
 &rst
  ixpk= 1556, nxpk= 10, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 390, 391, 392, 394, 395, 396,
 &end
#
#   50 VAL  MGY          29 PHE  HN          5.50    (#   1557:10  Unique    5.52, 6.62 A)
 &rst
  ixpk= 1557, nxpk= 10, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 807, 808, 809, 811, 812, 813,
 &end
#
#   28 LEU  MDY          29 PHE  HN          4.50    (#   1558:10  Unique    4.74, 5.60 A)
 &rst
  ixpk= 1558, nxpk= 10, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 437, 438, 439, 441, 442, 443,
 &end
#
#   65 LEU  MDX          29 PHE  HN          5.50    (#   1559:10  Unique    4.35, 5.97 A)
 &rst
  ixpk= 1559, nxpk= 10, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#    3 THR  HB            5 GLN  HE2+        5.50    (#   1560:10  Unique    2.22, 4.73 A)
 &rst
  ixpk= 1560, nxpk= 10, iat=  35,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  72,  73,
 &end
#
#    0 AMB  10-2:1561     0 AMB  10-1:1561   5.50    (#   1561:10  Double Ambig)
 &rst
  ixpk= 1561, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=  78,  79, 672, 673,
 igr2=  72,  73, 694, 695,
 &end
#
#    3 THR  MG2           5 GLN  HE2+        5.50    (#   1563:10  Unique    2.82, 5.46 A)
 &rst
  ixpk= 1563, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  37,  38,  39,
 igr2=  72,  73,
 &end
#
#   16 LEU  HN           46 ASP  HN          5.50    (#   1564:10  Unique    4.85, 5.50 A)
 &rst
  ixpk= 1564, nxpk= 10, iat= 241, 740, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ARG  HN           46 ASP  HN          5.50    (#   1565:10  Unique    4.66, 5.16 A)
 &rst
  ixpk= 1565, nxpk= 10, iat= 699, 740, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 ILE  HA           46 ASP  HN          5.50    (#   1566:10  Unique    4.10, 5.09 A)
 &rst
  ixpk= 1566, nxpk= 10, iat= 754, 740, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1567    46 ASP  HN          7.00    (#   1567:10  Single Ambig)
 &rst
  ixpk= 1567, nxpk= 10, iat=  -1, 740, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 773, 243, 229,
 &end
#
#   16 LEU  HG           46 ASP  HN          7.00    (#   1568:10  Unique    4.43, 5.82 A)
 &rst
  ixpk= 1568, nxpk= 10, iat= 248, 740, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:1570     8 ASN  HD2-        4.50    (#   1570:10  Single Ambig)
 &rst
  ixpk= 1570, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1330,1331,1330,1331,
 igr2= 114, 115,
 &end
#
#   79 THR  HN            2 GLN  HE2+        5.50    (#   1571:10  Unique    3.99, 4.72 A)
 &rst
  ixpk= 1571, nxpk= 10, iat=1254,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  26,  27,
 &end
#
#   40 LEU  MDY          21 ASN  HD2+        5.50    (#   1572:10  Unique    4.32, 7.36 A)
 &rst
  ixpk= 1572, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 645, 646, 647, 649, 650, 651,
 igr2= 327, 328,
 &end
#
#   14 THR  MG2           2 GLN  HE2+        5.50    (#   1573:10  Unique    2.07, 4.92 A)
 &rst
  ixpk= 1573, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 219, 220, 221,
 igr2=  26,  27,
 &end
#
#   10 ILE  MD1           8 ASN  HD2+        5.50    (#   1574:10  Unique    2.92, 5.14 A)
 &rst
  ixpk= 1574, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 149, 150, 151,
 igr2= 114, 115,
 &end
#
#   10 ILE  MG2           8 ASN  HD2+        5.50    (#   1575:10  Unique    3.91, 5.08 A)
 &rst
  ixpk= 1575, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 142, 143, 144,
 igr2= 114, 115,
 &end
#
#    0 AMB  10-2:1576     0 AMB  10-1:1576   4.50    (#   1576:10  Double Ambig)
 &rst
  ixpk= 1576, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 140,1324,1325,1324,1325,
 igr2= 114, 115, 114, 115, 114, 115,
 &end
#
#   10 ILE  HN            8 ASN  HD2+        5.50    (#   1578:10  Unique    2.57, 3.19 A)
 &rst
  ixpk= 1578, nxpk= 10, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 114, 115,
 &end
#
#   83 LYS  HN            8 ASN  HD2+        5.50    (#   1579:10  Unique    2.67, 3.60 A)
 &rst
  ixpk= 1579, nxpk= 10, iat=1320,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 114, 115,
 &end
#
#   81 ALA  HN            8 ASN  HD2+        5.50    (#   1580:10  Unique    2.11, 3.37 A)
 &rst
  ixpk= 1580, nxpk= 10, iat=1288,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 114, 115,
 &end
#
#    0 AMB  10-2:1581     0 AMB  10-1:1581   5.50    (#   1581:10  Double Ambig)
 &rst
  ixpk= 1581, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 119, 174,
 igr2= 114, 115, 114, 115,
 &end
#
#   64 ALA  MB           31 GLN  HE2-        5.50    (#   1583:10  Unique    5.22, 6.46 A)
 &rst
  ixpk= 1583, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1017,1018,1019,
 igr2= 493, 494,
 &end
#
#   28 LEU  HB+          31 GLN  HE2-        5.50    (#   1584:10  Unique    3.34, 4.53 A)
 &rst
  ixpk= 1584, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 432, 433,
 igr2= 493, 494,
 &end
#
#   28 LEU  HB+          31 GLN  HE2+        5.50    (#   1585:10  Unique    3.34, 4.53 A)
 &rst
  ixpk= 1585, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 432, 433,
 igr2= 493, 494,
 &end
#
#   54 THR  HN            9 GLN  HE2-        5.50    (#   1586:10  Unique    4.54, 5.02 A)
 &rst
  ixpk= 1586, nxpk= 10, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 131, 132,
 &end
#
#   10 ILE  HB            9 GLN  HE2-        7.00    (#   1587:10  Unique    7.18, 7.91 A)
 &rst
  ixpk= 1587, nxpk= 10, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 131, 132,
 &end
#
#    0 AMB  10-2:1589     9 GLN  HE2-        5.50    (#   1589:10  Single Ambig)
 &rst
  ixpk= 1589, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
 igr1= 569, 570, 566, 567, 872, 873, 874,
 igr2= 131, 132,
 &end
#
#   67 GLY  HN           66 GLN  HE2+        5.50    (#   1590:10  Unique    4.99, 5.97 A)
 &rst
  ixpk= 1590, nxpk= 10, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1054,1055,
 &end
#
#   67 GLY  HN           66 GLN  HE2-        5.50    (#   1591:10  Unique    4.99, 5.97 A)
 &rst
  ixpk= 1591, nxpk= 10, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1054,1055,
 &end
#
#   66 GLN  HA           66 GLN  HE2+        5.50    (#   1592:10  Unique    4.35, 4.79 A)
 &rst
  ixpk= 1592, nxpk= 10, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1054,1055,
 &end
#
#    0 AMB  10-2:1593     0 AMB  10-1:1593   5.50    (#   1593:10  Double Ambig)
 &rst
  ixpk= 1593, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1188,1088,
 igr2= 236, 237, 236, 237,
 &end
#
#   74 HIS  HB+          15 ASN  HD2+        5.50    (#   1594:10  Unique    3.93, 4.95 A)
 &rst
  ixpk= 1594, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1173,1174,
 igr2= 236, 237,
 &end
#
#   74 HIS  HB-          15 ASN  HD2+        5.50    (#   1595:10  Unique    3.93, 4.95 A)
 &rst
  ixpk= 1595, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1173,1174,
 igr2= 236, 237,
 &end
#
#   77 LYS  HE+          15 ASN  HD2+        5.50    (#   1596:10  Unique    3.57, 6.03 A)
 &rst
  ixpk= 1596, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1226,1227,
 igr2= 236, 237,
 &end
#
#    0 AMB  10-2:1597     0 AMB  10-1:1597   5.50    (#   1597:10  Double Ambig)
 &rst
  ixpk= 1597, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1220,1221,1220,1221,
 igr2= 236, 237, 236, 237,
 &end
#
#    0 AMB  10-2:1599    15 ASN  HD2-        5.50    (#   1599:10  Single Ambig)
 &rst
  ixpk= 1599, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1188,1088,
 igr2= 236, 237,
 &end
#
#    0 AMB  10-2:1600    15 ASN  HD2-        5.50    (#   1600:10  Single Ambig)
 &rst
  ixpk= 1600, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1217,1218,1226,1227,
 igr2= 236, 237,
 &end
#
#   51 GLU  HG+          37 GLU  HN          5.50    (#   1601:10  Unique    3.96, 4.80 A)
 &rst
  ixpk= 1601, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 824, 825,
 &end
#
#   37 GLU  HB+          37 GLU  HN          4.50    (#   1602:10  Unique    2.80, 3.17 A)
 &rst
  ixpk= 1602, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 585, 586,
 &end
#
#    0 AMB  10-2:1603    37 GLU  HN          4.50    (#   1603:10  Single Ambig)
 &rst
  ixpk= 1603, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 566, 567, 569, 570,
 &end
#
#   50 VAL  MGY          37 GLU  HN          5.50    (#   1604:10  Unique    3.89, 5.72 A)
 &rst
  ixpk= 1604, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 807, 808, 809, 811, 812, 813,
 &end
#
#   41 VAL  HB           47 ILE  HN          5.50    (#   1606:10  Unique    3.86, 4.52 A)
 &rst
  ixpk= 1606, nxpk= 10, iat= 659, 752, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 ILE  MG2          47 ILE  HN          2.80    (#   1607:10  Unique    2.94, 3.72 A)
 &rst
  ixpk= 1607, nxpk= 10, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 758, 759, 760,
 &end
#
#   14 THR  MG2          47 ILE  HN          5.50    (#   1608:10  Unique    5.58, 6.84 A)
 &rst
  ixpk= 1608, nxpk= 10, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 219, 220, 221,
 &end
#
#   16 LEU  HG           47 ILE  HN          4.50    (#   1609:10  Unique    4.43, 4.51 A)
 &rst
  ixpk= 1609, nxpk= 10, iat= 248, 752, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 THR  HN           57 GLN  HE2-        5.50    (#   1610:10  Unique    3.13, 4.21 A)
 &rst
  ixpk= 1610, nxpk= 10, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 926, 927,
 &end
#
#    0 AMB  10-2:1611    44 ARG  HE          5.50    (#   1611:10  Single Ambig)
 &rst
  ixpk= 1611, nxpk= 10, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   70 ILE  HN           71 THR  HN          3.50    (#   1612:10  Unique    2.33, 2.40 A)
 &rst
  ixpk= 1612, nxpk= 10, iat=1108,1127, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   72 PRO  HA           71 THR  HN          5.50    (#   1614:10  Unique    4.70, 4.80 A)
 &rst
  ixpk= 1614, nxpk= 10, iat=1151,1127, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 PRO  HD-          71 THR  HN          5.50    (#   1615:10  Unique    3.93, 4.66 A)
 &rst
  ixpk= 1615, nxpk= 10, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 261, 262,
 &end
#
#   69 LYS  HD+          71 THR  HN          5.50    (#   1616:10  Unique    4.16, 4.78 A)
 &rst
  ixpk= 1616, nxpk= 10, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1096,1097,
 &end
#
#   70 ILE  MG2          71 THR  HN          3.50    (#   1617:10  Unique    3.68, 4.39 A)
 &rst
  ixpk= 1617, nxpk= 10, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1114,1115,1116,
 &end
#
#   55 GLU  HN           54 THR  HN          5.50    (#   1618:10  Unique    4.31, 4.33 A)
 &rst
  ixpk= 1618, nxpk= 10, iat= 880, 866, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 PHE  HN           54 THR  HN          5.50    (#   1619:10  Unique    5.25, 5.33 A)
 &rst
  ixpk= 1619, nxpk= 10, iat= 832, 866, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ASN  HN           31 GLN  HE2-        5.50    (#   1622:10  Unique    4.99, 5.96 A)
 &rst
  ixpk= 1622, nxpk= 10, iat= 467,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 493, 494,
 &end
#
#   79 THR  HN            2 GLN  HE2-        5.50    (#   1623:10  Unique    3.99, 4.72 A)
 &rst
  ixpk= 1623, nxpk= 10, iat=1254,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  26,  27,
 &end
#
#   26 SER  HB+          27 MET  HN          4.50    (#   1625:10  Unique    2.52, 3.21 A)
 &rst
  ixpk= 1625, nxpk= 10, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 404, 405,
 &end
#
#   31 GLN  HB+          30 ASN  HN          5.50    (#   1626:10  Unique    5.03, 5.79 A)
 &rst
  ixpk= 1626, nxpk= 10, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 485, 486,
 &end
#
#   55 GLU  HG-          59 ASN  HN          7.00    (#   1628:10  Unique    6.38, 6.75 A)
 &rst
  ixpk= 1628, nxpk= 10, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 887, 888,
 &end
#
#   62 LYS  HB-          63 GLU  HN          4.50    (#   1629:10  Unique    2.53, 3.34 A)
 &rst
  ixpk= 1629, nxpk= 10, iat=  -1, 998, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 980, 981,
 &end
#
#    0 AMB  10-2:1630     0 AMB  10-1:1630   3.50    (#   1630:10  Double Ambig)
 &rst
  ixpk= 1630, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 918, 919, 525, 526,
 igr2= 926, 927, 926, 927,
 &end
#
#    0 AMB  10-2:1631    57 GLN  HE2-        3.50    (#   1631:10  Single Ambig)
 &rst
  ixpk= 1631, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 918, 919, 525, 526,
 igr2= 926, 927,
 &end
#
#    5 GLN  HN            5 GLN  HE2-        5.50    (#   1632:10  Unique    3.95, 5.05 A)
 &rst
  ixpk= 1632, nxpk= 10, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  72,  73,
 &end
#
#   65 LEU  MDX          31 GLN  HE2-        5.50    (#   1633:10  Unique    2.19, 3.97 A)
 &rst
  ixpk= 1633, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2= 493, 494,
 &end
#
#    8 ASN  HN           81 ALA  HN          5.50    (#   1635:10  Unique    4.97, 5.32 A)
 &rst
  ixpk= 1635, nxpk= 10, iat= 105,1288, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 GLU  HG+          55 GLU  HN          3.50    (#   1636:10  Unique    1.90, 2.85 A)
 &rst
  ixpk= 1636, nxpk= 10, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 887, 888,
 &end
#
#   66 GLN  HG-          66 GLN  HN          4.50    (#   1637:10  Unique    2.78, 3.61 A)
 &rst
  ixpk= 1637, nxpk= 10, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1049,1050,
 &end
#
#   55 GLU  HG-          56 LEU  HN          5.50    (#   1638:10  Unique    4.09, 4.81 A)
 &rst
  ixpk= 1638, nxpk= 10, iat=  -1, 895, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 887, 888,
 &end
#
#    0 AMB  10-2:1640    11 LEU  HN          3.50    (#   1640:10  Single Ambig)
 &rst
  ixpk= 1640, nxpk= 10, iat=  -1, 155, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 157, 819,
 &end
#
#   55 GLU  HA            9 GLN  HN          3.50    (#   1641:10  Unique    3.44, 3.50 A)
 &rst
  ixpk= 1641, nxpk= 10, iat= 882, 119, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 LYS  HB-          62 LYS  HN          3.50    (#   1642:10  Unique    2.15, 2.48 A)
 &rst
  ixpk= 1642, nxpk= 10, iat=  -1, 976, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 980, 981,
 &end
#
#    0 AMB  10-2:1643     0 AMB  10-1:1643   4.50    (#   1643:10  Double Ambig)
 &rst
  ixpk= 1643, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 351, 352, 336, 337,
 igr2= 327, 328, 327, 328,
 &end
#
#    0 AMB  10-2:1644    21 ASN  HD2-        4.50    (#   1644:10  Single Ambig)
 &rst
  ixpk= 1644, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 351, 352, 336, 337,
 igr2= 327, 328,
 &end
#
#   54 THR  HG1          54 THR  HN          5.50    (#   1645:10  Unique    3.51, 3.64 A)
 &rst
  ixpk= 1645, nxpk= 10, iat= 876, 866, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 GLN  HE2-         54 THR  HN          5.50    (#   1646:10  Unique    3.13, 4.21 A)
 &rst
  ixpk= 1646, nxpk= 10, iat=  -1, 866, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 926, 927,
 &end
#
#    0 AMB  10-2:1648    35 PHE  HN          5.50    (#   1648:10  Single Ambig)
 &rst
  ixpk= 1648, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 561, 854,
 &end
#
#   49 PHE  HA           11 LEU  HN          5.50    (#   1649:10  Unique    4.51, 4.60 A)
 &rst
  ixpk= 1649, nxpk= 10, iat= 783, 155, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 PHE  HA           39 ARG  HN          5.50    (#   1650:10  Unique    4.70, 4.77 A)
 &rst
  ixpk= 1650, nxpk= 10, iat= 783, 612, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1651     0 AMB  10-1:1651   5.50    (#   1651:10  Double Ambig)
 &rst
  ixpk= 1651, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 785, 786, 178, 179, 785, 786,
 igr2= 155, 655,
 &end
#
#   39 ARG  HD-          39 ARG  HN          5.50    (#   1653:10  Unique    2.88, 5.24 A)
 &rst
  ixpk= 1653, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 622, 623,
 &end
#
#    0 AMB  10-2:1654    39 ARG  HN          5.50    (#   1654:10  Single Ambig)
 &rst
  ixpk= 1654, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 339, 340, 339, 340,
 &end
#
#   20 THR  MG2          25 LEU  HN          5.50    (#   1655:10  Unique    3.83, 4.26 A)
 &rst
  ixpk= 1655, nxpk= 10, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 310, 311, 312,
 &end
#
#   12 PHE  HA           50 VAL  HN          5.50    (#   1656:10  Unique    3.84, 3.91 A)
 &rst
  ixpk= 1656, nxpk= 10, iat= 176, 801, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 PRO  HG+          43 ASN  HN          5.50    (#   1657:10  Unique    4.01, 4.95 A)
 &rst
  ixpk= 1657, nxpk= 10, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 675, 676,
 &end
#
#   76 MET  HA           14 THR  HN          5.50    (#   1658:10  Unique    4.48, 4.63 A)
 &rst
  ixpk= 1658, nxpk= 10, iat=1198, 213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1659    20 THR  HN          4.50    (#   1659:10  Single Ambig)
 &rst
  ixpk= 1659, nxpk= 10, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 296, 297, 296, 297,
 &end
#
#   17 PRO  HD-          16 LEU  HN          5.50    (#   1661:10  Unique    4.95, 5.07 A)
 &rst
  ixpk= 1661, nxpk= 10, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 261, 262,
 &end
#
#   35 PHE  HD           34 GLY  HN          5.50    (#   1662:10  Unique    5.80, 6.38 A)
 &rst
  ixpk= 1662, nxpk= 10, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 547, 555,
 &end
#
#   36 LYS  HB+          35 PHE  HN          7.00    (#   1665:10  Unique    5.38, 6.72 A)
 &rst
  ixpk= 1665, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 563, 564,
 &end
#
#   11 LEU  HB+          79 THR  HN          5.50    (#   1666:10  Unique    3.19, 4.54 A)
 &rst
  ixpk= 1666, nxpk= 10, iat=  -1,1254, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 159, 160,
 &end
#
#   30 ASN  HB+          32 PHE  HN          5.50    (#   1668:10  Unique    5.06, 5.32 A)
 &rst
  ixpk= 1668, nxpk= 10, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 471, 472,
 &end
#
#   73 THR  HA           70 ILE  HN          7.00    (#   1669:10  Unique    7.34, 7.90 A)
 &rst
  ixpk= 1669, nxpk= 10, iat=1157,1108, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:1671    71 THR  HN          5.50    (#   1671:10  Single Ambig)
 &rst
  ixpk= 1671, nxpk= 10, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1155,1182,
 &end
#
#   68 PHE  HD           71 THR  HN          7.00    (#   1672:10  Unique    5.55, 7.16 A)
 &rst
  ixpk= 1672, nxpk= 10, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1074,1082,
 &end
#
#   74 HIS  HA           71 THR  HN          5.50    (#   1674:10  Unique    4.93, 5.04 A)
 &rst
  ixpk= 1674, nxpk= 10, iat=1171,1127, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1675    71 THR  HN          4.50    (#   1675:10  Single Ambig)
 &rst
  ixpk= 1675, nxpk= 10, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1142,1143, 270,
 &end
#
#    0 AMB  10-2:1677    73 THR  HN          5.50    (#   1677:10  Single Ambig)
 &rst
  ixpk= 1677, nxpk= 10, iat=  -1,1155, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1173,1174,1099,1100,
 &end
#
#    0 AMB  10-2:1678    73 THR  HN          3.50    (#   1678:10  Single Ambig)
 &rst
  ixpk= 1678, nxpk= 10, iat=  -1,1155, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1131,1129,
 &end
#
#   75 ALA  HN           73 THR  HN          5.50    (#   1680:10  Unique    5.16, 6.04 A)
 &rst
  ixpk= 1680, nxpk= 10, iat=1186,1155, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 ASN  HD2-         74 HIS  HN          5.50    (#   1681:10  Unique    5.34, 5.87 A)
 &rst
  ixpk= 1681, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 236, 237,
 &end
#
#   70 ILE  MD1          76 MET  HN          4.50    (#   1685:10  Unique    3.79, 4.36 A)
 &rst
  ixpk= 1685, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1121,1122,1123,
 &end
#
#   76 MET  ME           76 MET  HN          4.50    (#   1686:10  Unique    4.26, 5.26 A)
 &rst
  ixpk= 1686, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1207,1208,1209,
 &end
#
#    0 AMB  10-2:1687    76 MET  HN          5.50    (#   1687:10  Single Ambig)
 &rst
  ixpk= 1687, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1171,1025,
 &end
#
#   15 ASN  HD2-         76 MET  HN          5.50    (#   1688:10  Unique    4.83, 5.56 A)
 &rst
  ixpk= 1688, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 236, 237,
 &end
#
#    0 AMB  10-2:1689    76 MET  HN          5.50    (#   1689:10  Single Ambig)
 &rst
  ixpk= 1689, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1074,1082, 250, 251, 252, 254, 255, 256,
 &end
#
#   15 ASN  HD2+         76 MET  HN          5.50    (#   1690:10  Unique    4.83, 5.56 A)
 &rst
  ixpk= 1690, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 236, 237,
 &end
#
#   76 MET  HN           67 GLY  HN          5.50    (#   1691:10  Unique    4.32, 4.38 A)
 &rst
  ixpk= 1691, nxpk= 10, iat=1196,1059, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1693    67 GLY  HN          5.50    (#   1693:10  Single Ambig)
 &rst
  ixpk= 1693, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1188,1088,
 &end
#
#   65 LEU  HA           67 GLY  HN          5.50    (#   1694:10  Unique    5.38, 5.48 A)
 &rst
  ixpk= 1694, nxpk= 10, iat=1025,1059, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 PHE  HB+          67 GLY  HN          5.50    (#   1695:10  Unique    4.62, 4.89 A)
 &rst
  ixpk= 1695, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1070,1071,
 &end
#
#   68 PHE  HB-          67 GLY  HN          5.50    (#   1696:10  Unique    4.62, 4.89 A)
 &rst
  ixpk= 1696, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1070,1071,
 &end
#
#   42 PRO  HA           41 VAL  HN          5.50    (#   1697:10  Unique    4.19, 5.01 A)
 &rst
  ixpk= 1697, nxpk= 10, iat= 681, 655, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ARG  HN           41 VAL  HN          5.50    (#   1698:10  Unique    4.05, 4.55 A)
 &rst
  ixpk= 1698, nxpk= 10, iat= 699, 655, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 ILE  HN           41 VAL  HN          5.50    (#   1699:10  Unique    4.23, 4.92 A)
 &rst
  ixpk= 1699, nxpk= 10, iat= 752, 655, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   43 ASN  HD2+         43 ASN  HN          5.50    (#   1702:10  Unique    4.08, 5.51 A)
 &rst
  ixpk= 1702, nxpk= 10, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 694, 695,
 &end
#
#    0 AMB  10-2:1709     0 AMB  10-1:1709   3.50    (#   1709:10  Double Ambig)
 &rst
  ixpk= 1709, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=  64,  65,  49,  50,
 igr2=  72,  73,  72,  73,
 &end
#
#   47 ILE  HN           44 ARG  HN          5.50    (#   1711:10  Unique    5.02, 5.60 A)
 &rst
  ixpk= 1711, nxpk= 10, iat= 752, 699, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 LEU  HA           44 ARG  HN          7.00    (#   1712:10  Unique    5.95, 6.77 A)
 &rst
  ixpk= 1712, nxpk= 10, iat= 638, 699, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   41 VAL  HA           44 ARG  HN          4.50    (#   1713:10  Unique    4.60, 4.95 A)
 &rst
  ixpk= 1713, nxpk= 10, iat= 657, 699, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1714    80 PHE  HN          4.50    (#   1714:10  Single Ambig)
 &rst
  ixpk= 1714, nxpk= 10, iat=  -1,1268, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr1= 986, 987, 164, 165, 166, 168, 169, 170,1241,1242,
      1243,
 &end
#
#   46 ASP  HN           45 HIS  HN          5.50    (#   1715:10  Unique    1.84, 2.59 A)
 &rst
  ixpk= 1715, nxpk= 10, iat= 740, 723, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1716    47 ILE  HN          5.50    (#   1716:10  Single Ambig)
 &rst
  ixpk= 1716, nxpk= 10, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 773, 229, 243,
 &end
#
#   14 THR  HA           47 ILE  HN          5.50    (#   1717:10  Unique    4.74, 4.86 A)
 &rst
  ixpk= 1717, nxpk= 10, iat= 215, 752, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   16 LEU  MDY          47 ILE  HN          5.50    (#   1719:10  Unique    3.35, 5.79 A)
 &rst
  ixpk= 1719, nxpk= 10, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 250, 251, 252, 254, 255, 256,
 &end
#
#   44 ARG  HE           47 ILE  HN          5.50    (#   1720:10  Unique    3.60, 4.24 A)
 &rst
  ixpk= 1720, nxpk= 10, iat= 712, 752, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 VAL  HN           47 ILE  HN          5.50    (#   1721:10  Unique    4.23, 4.92 A)
 &rst
  ixpk= 1721, nxpk= 10, iat= 655, 752, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1723     0 AMB  10-1:1723   5.50    (#   1723:10  Double Ambig)
 &rst
  ixpk= 1723, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 935, 936, 217,
 igr2= 976, 771,
 &end
#
#    0 AMB  10-2:1724    62 LYS  HN          5.50    (#   1724:10  Single Ambig)
 &rst
  ixpk= 1724, nxpk= 10, iat=  -1, 976, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 935, 936,1000,
 &end
#
#   60 ALA  HA           62 LYS  HN          5.50    (#   1725:10  Unique    4.39, 4.48 A)
 &rst
  ixpk= 1725, nxpk= 10, iat= 958, 976, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   78 ILE  HA           13 LEU  HN          5.50    (#   1726:10  Unique    4.93, 4.99 A)
 &rst
  ixpk= 1726, nxpk= 10, iat=1237, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 ILE  HA           13 LEU  HN          5.50    (#   1727:10  Unique    4.55, 4.63 A)
 &rst
  ixpk= 1727, nxpk= 10, iat= 754, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1728    13 LEU  HN          5.50    (#   1728:10  Single Ambig)
 &rst
  ixpk= 1728, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 250, 251, 252, 254, 255, 256, 791, 795, 793,
 &end
#
#   78 ILE  HN           14 THR  HN          5.50    (#   1729:10  Unique    4.74, 4.86 A)
 &rst
  ixpk= 1729, nxpk= 10, iat=1235, 213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 PHE  HD           14 THR  HN          5.50    (#   1730:10  Unique    6.15, 6.59 A)
 &rst
  ixpk= 1730, nxpk= 10, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 182, 190,
 &end
#
#   15 ASN  HB+          14 THR  HN          5.50    (#   1731:10  Unique    4.80, 5.18 A)
 &rst
  ixpk= 1731, nxpk= 10, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 231, 232,
 &end
#
#   48 ALA  MB           14 THR  HN          5.50    (#   1732:10  Unique    5.51, 6.81 A)
 &rst
  ixpk= 1732, nxpk= 10, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 775, 776, 777,
 &end
#
#    0 AMB  10-2:1733    14 THR  HN          5.50    (#   1733:10  Single Ambig)
 &rst
  ixpk= 1733, nxpk= 10, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1245,1246,1121,1122,1123,
 &end
#
#    0 AMB  10-2:1734     0 AMB  10-1:1734   5.50    (#   1734:10  Double Ambig)
 &rst
  ixpk= 1734, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 752, 236, 237,
 igr2= 227, 781,
 &end
#
#   12 PHE  HZ           15 ASN  HN          7.00    (#   1735:10  Unique    6.62, 6.78 A)
 &rst
  ixpk= 1735, nxpk= 10, iat= 186, 227, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   41 VAL  HN           49 PHE  HN          5.50    (#   1736:10  Unique    4.24, 5.17 A)
 &rst
  ixpk= 1736, nxpk= 10, iat= 655, 781, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 ASP  HN           16 LEU  HN          5.50    (#   1737:10  Unique    4.85, 5.50 A)
 &rst
  ixpk= 1737, nxpk= 10, iat= 740, 241, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 ASP  HA           18 GLU  HN          5.50    (#   1738:10  Unique    4.53, 4.85 A)
 &rst
  ixpk= 1738, nxpk= 10, iat= 742, 274, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 THR  HN           18 GLU  HN          4.50    (#   1743:10  Unique    4.33, 4.37 A)
 &rst
  ixpk= 1743, nxpk= 10, iat= 304, 274, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   46 ASP  HN           18 GLU  HN          7.00    (#   1744:10  Unique    5.36, 6.23 A)
 &rst
  ixpk= 1744, nxpk= 10, iat= 740, 274, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   21 ASN  HN           19 GLU  HN          7.00    (#   1747:10  Unique    7.08, 7.19 A)
 &rst
  ixpk= 1747, nxpk= 10, iat= 318, 289, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:1750    20 THR  HN          3.50    (#   1750:10  Single Ambig)
 &rst
  ixpk= 1750, nxpk= 10, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 293, 294, 267, 268,
 &end
#
#   46 ASP  HA           20 THR  HN          5.50    (#   1751:10  Unique    5.09, 5.58 A)
 &rst
  ixpk= 1751, nxpk= 10, iat= 742, 304, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 PHE  HD           29 PHE  HN          4.50    (#   1754:10  Unique         5.51, 5.96 A)
 &rst
  ixpk= 1754, nxpk= 10, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 547, 555,
 &end
#
#    0 AMB  10-2:1755    30 ASN  HN          4.50    (#   1755:10  Single Ambig)
 &rst
  ixpk= 1755, nxpk= 10, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 488, 489, 488, 489,
 &end
#
#   65 LEU  MDX          30 ASN  HN          5.50    (#   1756:10  Unique         5.94, 7.57 A)
 &rst
  ixpk= 1756, nxpk= 10, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#   61 ALA  MB           35 PHE  HN          5.50    (#   1757:10  Unique         6.19, 7.19 A)
 &rst
  ixpk= 1757, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 970, 971, 972,
 &end
#
#    0 AMB  10-2:1758    35 PHE  HN          5.50    (#   1758:10  Single Ambig)
 &rst
  ixpk= 1758, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 522, 523, 471, 472,
 &end
#
#   30 ASN  HB+          35 PHE  HN          5.50    (#   1759:10  Unique         6.76, 7.67 A)
 &rst
  ixpk= 1759, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 471, 472,
 &end
#
#    0 AMB  10-2:1760    35 PHE  HN          5.50    (#   1760:10  Single Ambig)
 &rst
  ixpk= 1760, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 842, 846, 844,
 &end
#
#   37 GLU  HN           35 PHE  HN          7.00    (#   1761:10  Unique         6.57, 6.71 A)
 &rst
  ixpk= 1761, nxpk= 10, iat= 581, 539, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   32 PHE  HN           35 PHE  HN          5.50    (#   1762:10  Unique         4.41, 4.48 A)
 &rst
  ixpk= 1762, nxpk= 10, iat= 498, 539, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ASN  HA           36 LYS  HN          5.50    (#   1763:10  Unique         6.42, 7.04 A)
 &rst
  ixpk= 1763, nxpk= 10, iat= 469, 559, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1764    36 LYS  HN          4.50    (#   1764:10  Single Ambig)
 &rst
  ixpk= 1764, nxpk= 10, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 572, 573, 572, 573,
 &end
#
#   36 LYS  HG-          36 LYS  HN          4.50    (#   1765:10  Unique         2.69, 3.68 A)
 &rst
  ixpk= 1765, nxpk= 10, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 566, 567,
 &end
#
#   50 VAL  MGY          36 LYS  HN          5.50    (#   1766:10  Unique         4.16, 6.37 A)
 &rst
  ixpk= 1766, nxpk= 10, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 807, 808, 809, 811, 812, 813,
 &end
#
#   35 PHE  HE           37 GLU  HN          4.50    (#   1768:10  Unique         3.23, 4.68 A)
 &rst
  ixpk= 1768, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 549, 553,
 &end
#
#   35 PHE  HN           37 GLU  HN          7.00    (#   1769:10  Unique         6.57, 6.71 A)
 &rst
  ixpk= 1769, nxpk= 10, iat= 539, 581, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1          H1        ALA   1  11.338  -6.440  -3.722
    2   2H    ALA   1          H2        ALA   1  11.142  -7.549  -2.542
    3   3H    ALA   1          H3        ALA   1  10.565  -7.857  -4.052
    4    HA   ALA   1           HA       ALA   1   8.971  -6.120  -3.896
    5   1HB   ALA   1          HB1       ALA   1   8.244  -8.313  -3.015
    6   2HB   ALA   1          HB2       ALA   1   8.876  -7.888  -1.406
    7   3HB   ALA   1          HB3       ALA   1   7.520  -6.978  -2.102
    8    H    GLN   2           H        GLN   2   8.121  -4.284  -2.820
    9    HA   GLN   2           HA       GLN   2  10.070  -2.711  -1.419
   10   1HB   GLN   2          HB2       GLN   2   7.056  -2.327  -1.778
   11   2HB   GLN   2          HB3       GLN   2   8.156  -1.124  -1.109
   12   1HG   GLN   2          HG2       GLN   2   9.400  -1.040  -3.248
   13   2HG   GLN   2          HG3       GLN   2   8.287  -2.224  -3.945
   14   1HE2  GLN   2          HE22      GLN   2   8.565   1.115  -2.661
   15   2HE2  GLN   2          HE21      GLN   2   7.118   1.705  -3.459
   16    H    THR   3           H        THR   3   9.839  -1.822   0.747
   17    HA   THR   3           HA       THR   3   7.989  -3.068   2.637
   18    HB   THR   3           HB       THR   3   9.908  -3.216   4.320
   19    HG1  THR   3           HG1      THR   3  11.453  -2.115   2.934
   20   1HG2  THR   3          HG21      THR   3  10.569  -5.456   3.724
   21   2HG2  THR   3          HG22      THR   3   8.869  -5.238   3.281
   22   3HG2  THR   3          HG23      THR   3  10.125  -5.198   2.022
   23    H    GLU   4           H        GLU   4   8.221  -1.665   4.786
   24    HA   GLU   4           HA       GLU   4   9.195   1.059   4.254
   25   1HB   GLU   4          HB2       GLU   4   6.354   0.300   5.011
   26   2HB   GLU   4          HB3       GLU   4   7.042   1.814   5.589
   27   1HG   GLU   4          HG2       GLU   4   6.997   1.106   2.635
   28   2HG   GLU   4          HG3       GLU   4   5.665   1.898   3.453
   29    H    GLN   5           H        GLN   5   9.350   2.242   6.322
   30    HA   GLN   5           HA       GLN   5   9.883   0.678   8.748
   31   1HB   GLN   5          HB2       GLN   5  11.984   2.068   7.000
   32   2HB   GLN   5          HB3       GLN   5  12.294   1.578   8.654
   33   1HG   GLN   5          HG2       GLN   5  11.688  -0.354   6.386
   34   2HG   GLN   5          HG3       GLN   5  13.274   0.101   6.974
   35   1HE2  GLN   5          HE22      GLN   5  10.293  -1.652   7.824
   36   2HE2  GLN   5          HE21      GLN   5  10.994  -2.559   9.156
   37    HA   PRO   6           HA       PRO   6   9.800   5.150  10.158
   38   1HB   PRO   6          HB2       PRO   6  11.868   5.169  11.980
   39   2HB   PRO   6          HB3       PRO   6  10.219   4.587  12.364
   40   1HG   PRO   6          HG2       PRO   6  12.639   2.944  11.557
   41   2HG   PRO   6          HG3       PRO   6  11.512   2.657  12.922
   42   1HD   PRO   6          HD2       PRO   6  11.245   1.338  10.568
   43   2HD   PRO   6          HD3       PRO   6   9.810   1.887  11.471
   44    HA   PRO   7           HA       PRO   7  12.695   6.802   7.345
   45   1HB   PRO   7          HB2       PRO   7  13.828   8.565   9.529
   46   2HB   PRO   7          HB3       PRO   7  13.407   8.999   7.840
   47   1HG   PRO   7          HG2       PRO   7  11.681   9.560   9.852
   48   2HG   PRO   7          HG3       PRO   7  11.066   8.873   8.315
   49   1HD   PRO   7          HD2       PRO   7  11.566   7.460  10.939
   50   2HD   PRO   7          HD3       PRO   7  10.213   7.268   9.783
   51    H    ASN   8           H        ASN   8  14.671   6.347   6.458
   52    HA   ASN   8           HA       ASN   8  16.906   5.420   8.140
   53   1HB   ASN   8          HB2       ASN   8  15.671   3.318   7.657
   54   2HB   ASN   8          HB3       ASN   8  15.601   3.740   5.945
   55   1HD2  ASN   8          HD22      ASN   8  16.840   2.007   5.153
   56   2HD2  ASN   8          HD21      ASN   8  18.565   1.872   5.472
   57    H    GLN   9           H        GLN   9  18.878   5.635   7.018
   58    HA   GLN   9           HA       GLN   9  18.904   7.763   5.120
   59   1HB   GLN   9          HB2       GLN   9  21.237   7.823   5.427
   60   2HB   GLN   9          HB3       GLN   9  20.508   7.536   6.993
   61   1HG   GLN   9          HG2       GLN   9  21.038   5.125   6.831
   62   2HG   GLN   9          HG3       GLN   9  21.756   5.376   5.231
   63   1HE2  GLN   9          HE22      GLN   9  23.421   7.485   5.372
   64   2HE2  GLN   9          HE21      GLN   9  24.622   7.238   6.623
   65    H    ILE  10           H        ILE  10  17.991   4.835   4.263
   66    HA   ILE  10           HA       ILE  10  19.304   4.943   1.646
   67    HB   ILE  10           HB       ILE  10  18.978   2.309   3.138
   68   1HG1  ILE  10          HG12      ILE  10  21.524   3.911   2.651
   69   2HG1  ILE  10          HG13      ILE  10  20.794   3.507   4.211
   70   1HG2  ILE  10          HG21      ILE  10  20.439   2.891   0.521
   71   2HG2  ILE  10          HG22      ILE  10  20.107   1.297   1.243
   72   3HG2  ILE  10          HG23      ILE  10  18.792   2.247   0.595
   73   1HD1  ILE  10          HD11      ILE  10  21.202   1.079   3.739
   74   2HD1  ILE  10          HD12      ILE  10  22.134   1.571   2.301
   75   3HD1  ILE  10          HD13      ILE  10  22.667   2.071   3.910
   76    H    LEU  11           H        LEU  11  17.851   4.503   0.071
   77    HA   LEU  11           HA       LEU  11  14.989   4.017   0.806
   78   1HB   LEU  11          HB2       LEU  11  16.389   6.075  -0.922
   79   2HB   LEU  11          HB3       LEU  11  14.823   5.483  -1.433
   80    HG   LEU  11           HG       LEU  11  13.675   6.411   0.382
   81   1HD1  LEU  11          HD11      LEU  11  14.752   7.625   2.246
   82   2HD1  LEU  11          HD12      LEU  11  15.125   5.906   2.264
   83   3HD1  LEU  11          HD13      LEU  11  16.348   7.051   1.684
   84   1HD2  LEU  11          HD21      LEU  11  14.458   8.002  -1.408
   85   2HD2  LEU  11          HD22      LEU  11  14.218   8.798   0.158
   86   3HD2  LEU  11          HD23      LEU  11  15.855   8.409  -0.402
   87    H    PHE  12           H        PHE  12  13.851   2.807  -0.708
   88    HA   PHE  12           HA       PHE  12  15.369   1.512  -2.922
   89   1HB   PHE  12          HB2       PHE  12  14.800  -0.181  -1.232
   90   2HB   PHE  12          HB3       PHE  12  13.131   0.387  -1.186
   91    HD1  PHE  12           HD1      PHE  12  15.619  -0.654  -3.841
   92    HD2  PHE  12           HD2      PHE  12  11.581  -0.931  -2.376
   93    HE1  PHE  12           HE1      PHE  12  15.095  -2.285  -5.622
   94    HE2  PHE  12           HE2      PHE  12  11.073  -2.626  -4.126
   95    HZ   PHE  12           HZ       PHE  12  12.827  -3.294  -5.762
   96    H    LEU  13           H        LEU  13  14.344   1.687  -4.877
   97    HA   LEU  13           HA       LEU  13  11.931   3.434  -4.987
   98   1HB   LEU  13          HB2       LEU  13  14.667   3.646  -6.277
   99   2HB   LEU  13          HB3       LEU  13  13.255   4.136  -7.180
  100    HG   LEU  13           HG       LEU  13  12.610   5.724  -5.384
  101   1HD1  LEU  13          HD11      LEU  13  15.325   4.920  -4.245
  102   2HD1  LEU  13          HD12      LEU  13  14.503   6.445  -3.842
  103   3HD1  LEU  13          HD13      LEU  13  13.747   4.901  -3.436
  104   1HD2  LEU  13          HD21      LEU  13  13.861   6.379  -7.439
  105   2HD2  LEU  13          HD22      LEU  13  14.291   7.373  -6.048
  106   3HD2  LEU  13          HD23      LEU  13  15.389   6.084  -6.583
  107    H    THR  14           H        THR  14  10.548   3.011  -6.668
  108    HA   THR  14           HA       THR  14  11.119   0.777  -8.535
  109    HB   THR  14           HB       THR  14   8.866  -0.211  -7.935
  110    HG1  THR  14           HG1      THR  14   9.188   1.298  -5.556
  111   1HG2  THR  14          HG21      THR  14  11.008  -1.219  -7.074
  112   2HG2  THR  14          HG22      THR  14  10.809  -0.269  -5.595
  113   3HG2  THR  14          HG23      THR  14   9.599  -1.492  -6.043
  114    H    ASN  15           H        ASN  15   9.144   0.517 -10.055
  115    HA   ASN  15           HA       ASN  15   8.041   1.323 -11.800
  116   1HB   ASN  15          HB2       ASN  15   6.377   1.850 -10.019
  117   2HB   ASN  15          HB3       ASN  15   7.023   3.494  -9.943
  118   1HD2  ASN  15          HD22      ASN  15   5.638   4.874 -11.003
  119   2HD2  ASN  15          HD21      ASN  15   4.689   4.451 -12.428
  120    H    LEU  16           H        LEU  16  10.727   2.075 -11.598
  121    HA   LEU  16           HA       LEU  16  10.985   4.868 -12.509
  122   1HB   LEU  16          HB2       LEU  16  13.130   2.738 -12.451
  123   2HB   LEU  16          HB3       LEU  16  13.339   4.475 -12.414
  124    HG   LEU  16           HG       LEU  16  12.230   2.765 -10.151
  125   1HD1  LEU  16          HD11      LEU  16  14.864   4.240 -10.406
  126   2HD1  LEU  16          HD12      LEU  16  14.307   3.246  -9.035
  127   3HD1  LEU  16          HD13      LEU  16  14.639   2.498 -10.607
  128   1HD2  LEU  16          HD21      LEU  16  11.339   5.205 -10.326
  129   2HD2  LEU  16          HD22      LEU  16  12.023   4.675  -8.814
  130   3HD2  LEU  16          HD23      LEU  16  13.005   5.674  -9.905
  131    HA   PRO  17           HA       PRO  17  11.019   3.977 -16.922
  132   1HB   PRO  17          HB2       PRO  17  13.861   4.921 -17.006
  133   2HB   PRO  17          HB3       PRO  17  12.487   5.352 -18.061
  134   1HG   PRO  17          HG2       PRO  17  13.394   6.970 -16.043
  135   2HG   PRO  17          HG3       PRO  17  11.664   6.899 -16.492
  136   1HD   PRO  17          HD2       PRO  17  13.004   5.779 -14.101
  137   2HD   PRO  17          HD3       PRO  17  11.316   6.255 -14.330
  138    H    GLU  18           H        GLU  18  11.715   2.232 -18.278
  139    HA   GLU  18           HA       GLU  18  13.337   0.117 -17.110
  140   1HB   GLU  18          HB2       GLU  18  12.150   0.489 -19.898
  141   2HB   GLU  18          HB3       GLU  18  12.951  -0.983 -19.328
  142   1HG   GLU  18          HG2       GLU  18  11.270  -1.196 -17.505
  143   2HG   GLU  18          HG3       GLU  18  10.416   0.215 -18.135
  144    H    GLU  19           H        GLU  19  14.378   2.981 -18.043
  145    HA   GLU  19           HA       GLU  19  16.861   2.055 -19.236
  146   1HB   GLU  19          HB2       GLU  19  15.296   4.516 -20.134
  147   2HB   GLU  19          HB3       GLU  19  16.807   3.917 -20.832
  148   1HG   GLU  19          HG2       GLU  19  15.572   1.815 -21.511
  149   2HG   GLU  19          HG3       GLU  19  14.072   2.582 -20.967
  150    H    THR  20           H        THR  20  15.755   3.160 -16.485
  151    HA   THR  20           HA       THR  20  16.902   5.701 -15.990
  152    HB   THR  20           HB       THR  20  16.592   3.486 -13.934
  153    HG1  THR  20           HG1      THR  20  14.618   3.468 -14.802
  154   1HG2  THR  20          HG21      THR  20  17.519   5.684 -13.124
  155   2HG2  THR  20          HG22      THR  20  16.103   6.509 -13.826
  156   3HG2  THR  20          HG23      THR  20  15.896   5.366 -12.486
  157    H    ASN  21           H        ASN  21  18.898   6.277 -15.008
  158    HA   ASN  21           HA       ASN  21  21.043   4.240 -15.038
  159   1HB   ASN  21          HB2       ASN  21  21.073   5.392 -17.236
  160   2HB   ASN  21          HB3       ASN  21  21.087   6.963 -16.431
  161   1HD2  ASN  21          HD22      ASN  21  23.019   3.961 -16.940
  162   2HD2  ASN  21          HD21      ASN  21  24.547   4.704 -16.555
  163    H    GLU  22           H        GLU  22  22.894   4.938 -13.735
  164    HA   GLU  22           HA       GLU  22  22.389   5.998 -11.224
  165   1HB   GLU  22          HB2       GLU  22  24.357   4.654 -11.986
  166   2HB   GLU  22          HB3       GLU  22  24.967   6.068 -12.847
  167   1HG   GLU  22          HG2       GLU  22  25.081   7.278 -10.618
  168   2HG   GLU  22          HG3       GLU  22  24.620   5.760  -9.839
  169    H    MET  23           H        MET  23  23.472   7.728 -14.145
  170    HA   MET  23           HA       MET  23  24.001  10.210 -12.865
  171   1HB   MET  23          HB2       MET  23  24.826   9.516 -15.122
  172   2HB   MET  23          HB3       MET  23  23.181   9.701 -15.757
  173   1HG   MET  23          HG2       MET  23  23.221  12.101 -15.160
  174   2HG   MET  23          HG3       MET  23  24.834  11.910 -14.465
  175   1HE   MET  23          HE1       MET  23  25.649  13.991 -15.869
  176   2HE   MET  23          HE2       MET  23  25.449  14.139 -17.629
  177   3HE   MET  23          HE3       MET  23  24.022  14.157 -16.569
  178    H    MET  24           H        MET  24  20.982   8.830 -14.137
  179    HA   MET  24           HA       MET  24  19.527  11.321 -14.261
  180   1HB   MET  24          HB2       MET  24  18.548   8.425 -14.050
  181   2HB   MET  24          HB3       MET  24  17.494   9.825 -14.253
  182   1HG   MET  24          HG2       MET  24  18.438  10.369 -16.365
  183   2HG   MET  24          HG3       MET  24  19.778   9.241 -16.145
  184   1HE   MET  24          HE1       MET  24  15.880   8.538 -15.508
  185   2HE   MET  24          HE2       MET  24  15.948   9.621 -16.920
  186   3HE   MET  24          HE3       MET  24  15.436   7.930 -17.116
  187    H    LEU  25           H        LEU  25  19.591   8.657 -11.871
  188    HA   LEU  25           HA       LEU  25  17.813  10.134 -10.123
  189   1HB   LEU  25          HB2       LEU  25  19.612   7.772  -9.447
  190   2HB   LEU  25          HB3       LEU  25  18.332   8.440  -8.430
  191    HG   LEU  25           HG       LEU  25  18.106   6.855 -10.990
  192   1HD1  LEU  25          HD11      LEU  25  16.629   5.483  -9.564
  193   2HD1  LEU  25          HD12      LEU  25  18.224   5.691  -8.819
  194   3HD1  LEU  25          HD13      LEU  25  16.847   6.634  -8.224
  195   1HD2  LEU  25          HD21      LEU  25  15.972   8.653  -9.767
  196   2HD2  LEU  25          HD22      LEU  25  16.567   8.644 -11.451
  197   3HD2  LEU  25          HD23      LEU  25  15.598   7.292 -10.858
  198    H    SER  26           H        SER  26  21.385   9.876 -10.393
  199    HA   SER  26           HA       SER  26  21.929  11.229  -7.925
  200   1HB   SER  26          HB2       SER  26  23.547  11.238 -10.510
  201   2HB   SER  26          HB3       SER  26  24.125  11.695  -8.896
  202    HG   SER  26           HG       SER  26  23.326   9.163  -9.874
  203    H    MET  27           H        MET  27  21.417  12.432 -11.306
  204    HA   MET  27           HA       MET  27  21.732  15.162 -10.753
  205   1HB   MET  27          HB2       MET  27  21.675  14.159 -12.996
  206   2HB   MET  27          HB3       MET  27  19.971  13.754 -12.799
  207   1HG   MET  27          HG2       MET  27  20.255  15.725 -14.160
  208   2HG   MET  27          HG3       MET  27  19.361  16.074 -12.686
  209   1HE   MET  27          HE1       MET  27  23.741  17.428 -13.500
  210   2HE   MET  27          HE2       MET  27  23.355  15.749 -13.077
  211   3HE   MET  27          HE3       MET  27  22.763  16.439 -14.607
  212    H    LEU  28           H        LEU  28  18.855  13.037 -10.383
  213    HA   LEU  28           HA       LEU  28  17.117  15.237  -9.662
  214   1HB   LEU  28          HB2       LEU  28  16.845  12.235  -9.275
  215   2HB   LEU  28          HB3       LEU  28  15.599  13.392  -8.817
  216    HG   LEU  28           HG       LEU  28  16.654  13.042 -11.654
  217   1HD1  LEU  28          HD11      LEU  28  15.380  11.074 -10.833
  218   2HD1  LEU  28          HD12      LEU  28  14.014  12.144 -10.436
  219   3HD1  LEU  28          HD13      LEU  28  14.532  11.934 -12.123
  220   1HD2  LEU  28          HD21      LEU  28  14.333  14.699 -10.584
  221   2HD2  LEU  28          HD22      LEU  28  15.811  15.314 -11.360
  222   3HD2  LEU  28          HD23      LEU  28  14.661  14.379 -12.302
  223    H    PHE  29           H        PHE  29  18.590  12.669  -7.594
  224    HA   PHE  29           HA       PHE  29  17.483  13.999  -5.270
  225   1HB   PHE  29          HB2       PHE  29  19.295  11.589  -5.640
  226   2HB   PHE  29          HB3       PHE  29  18.881  12.246  -4.061
  227    HD1  PHE  29           HD1      PHE  29  16.853  11.854  -2.966
  228    HD2  PHE  29           HD2      PHE  29  17.349  10.650  -7.074
  229    HE1  PHE  29           HE1      PHE  29  14.752  10.542  -2.833
  230    HE2  PHE  29           HE2      PHE  29  15.260   9.343  -6.939
  231    HZ   PHE  29           HZ       PHE  29  13.951   9.290  -4.824
  232    H    ASN  30           H        ASN  30  20.740  14.181  -6.777
  233    HA   ASN  30           HA       ASN  30  22.057  15.026  -4.433
  234   1HB   ASN  30          HB2       ASN  30  23.910  15.473  -5.642
  235   2HB   ASN  30          HB3       ASN  30  23.108  14.381  -6.748
  236   1HD2  ASN  30          HD22      ASN  30  21.693  15.561  -8.470
  237   2HD2  ASN  30          HD21      ASN  30  22.251  17.116  -9.065
  238    H    GLN  31           H        GLN  31  19.664  16.739  -6.140
  239    HA   GLN  31           HA       GLN  31  20.378  19.431  -5.646
  240   1HB   GLN  31          HB2       GLN  31  17.656  18.057  -5.695
  241   2HB   GLN  31          HB3       GLN  31  17.904  19.806  -5.711
  242   1HG   GLN  31          HG2       GLN  31  19.140  19.638  -7.851
  243   2HG   GLN  31          HG3       GLN  31  18.898  17.888  -7.868
  244   1HE2  GLN  31          HE22      GLN  31  16.591  17.101  -7.838
  245   2HE2  GLN  31          HE21      GLN  31  15.375  18.064  -8.670
  246    H    PHE  32           H        PHE  32  19.246  16.848  -3.456
  247    HA   PHE  32           HA       PHE  32  18.569  18.766  -1.340
  248   1HB   PHE  32          HB2       PHE  32  18.706  15.739  -1.201
  249   2HB   PHE  32          HB3       PHE  32  17.918  16.818  -0.059
  250    HD1  PHE  32           HD1      PHE  32  16.084  18.490  -1.275
  251    HD2  PHE  32           HD2      PHE  32  17.335  14.639  -2.757
  252    HE1  PHE  32           HE1      PHE  32  14.076  18.378  -2.732
  253    HE2  PHE  32           HE2      PHE  32  15.334  14.522  -4.176
  254    HZ   PHE  32           HZ       PHE  32  13.730  16.406  -4.225
  255    HA   PRO  33           HA       PRO  33  22.816  18.684   0.014
  256   1HB   PRO  33          HB2       PRO  33  22.671  20.086   2.359
  257   2HB   PRO  33          HB3       PRO  33  22.320  20.809   0.769
  258   1HG   PRO  33          HG2       PRO  33  20.326  19.682   2.758
  259   2HG   PRO  33          HG3       PRO  33  20.302  21.285   1.959
  260   1HD   PRO  33          HD2       PRO  33  18.889  19.159   0.989
  261   2HD   PRO  33          HD3       PRO  33  19.652  20.359  -0.099
  262    H    GLY  34           H        GLY  34  21.337  16.217   0.523
  263   1HA   GLY  34          HA2       GLY  34  22.866  15.187   2.857
  264   2HA   GLY  34          HA3       GLY  34  21.130  14.851   2.718
  265    H    PHE  35           H        PHE  35  21.965  14.848  -0.460
  266    HA   PHE  35           HA       PHE  35  21.820  12.101  -0.846
  267   1HB   PHE  35          HB2       PHE  35  21.343  13.779  -2.532
  268   2HB   PHE  35          HB3       PHE  35  22.985  14.403  -2.455
  269    HD1  PHE  35           HD1      PHE  35  24.814  13.352  -3.669
  270    HD2  PHE  35           HD2      PHE  35  20.864  11.634  -3.696
  271    HE1  PHE  35           HE1      PHE  35  25.443  11.903  -5.592
  272    HE2  PHE  35           HE2      PHE  35  21.480  10.237  -5.638
  273    HZ   PHE  35           HZ       PHE  35  23.773  10.338  -6.566
  274    H    LYS  36           H        LYS  36  23.338  10.579  -1.402
  275    HA   LYS  36           HA       LYS  36  26.234  11.221  -1.049
  276   1HB   LYS  36          HB2       LYS  36  24.924   8.638  -0.117
  277   2HB   LYS  36          HB3       LYS  36  26.628   8.985  -0.059
  278   1HG   LYS  36          HG2       LYS  36  24.739  10.781   1.486
  279   2HG   LYS  36          HG3       LYS  36  25.039   9.140   2.047
  280   1HD   LYS  36          HD2       LYS  36  26.501  10.679   3.204
  281   2HD   LYS  36          HD3       LYS  36  27.397   9.512   2.242
  282   1HE   LYS  36          HE2       LYS  36  28.497  11.565   1.947
  283   2HE   LYS  36          HE3       LYS  36  27.629  11.244   0.436
  284   1HZ   LYS  36          HZ1       LYS  36  26.065  12.913   0.972
  285   2HZ   LYS  36          HZ2       LYS  36  26.503  12.986   2.552
  286   3HZ   LYS  36          HZ3       LYS  36  27.496  13.576   1.384
  287    H    GLU  37           H        GLU  37  23.907   8.663  -2.228
  288    HA   GLU  37           HA       GLU  37  25.245   8.621  -4.822
  289   1HB   GLU  37          HB2       GLU  37  26.700   7.336  -2.930
  290   2HB   GLU  37          HB3       GLU  37  25.553   6.047  -3.255
  291   1HG   GLU  37          HG2       GLU  37  26.216   6.088  -5.657
  292   2HG   GLU  37          HG3       GLU  37  27.247   7.480  -5.355
  293    H    VAL  38           H        VAL  38  24.468   6.479  -6.039
  294    HA   VAL  38           HA       VAL  38  21.931   5.429  -5.035
  295    HB   VAL  38           HB       VAL  38  20.707   5.677  -7.035
  296   1HG1  VAL  38          HG11      VAL  38  20.387   8.029  -7.291
  297   2HG1  VAL  38          HG12      VAL  38  20.852   7.757  -5.613
  298   3HG1  VAL  38          HG13      VAL  38  22.043   8.386  -6.779
  299   1HG2  VAL  38          HG21      VAL  38  23.145   6.865  -8.402
  300   2HG2  VAL  38          HG22      VAL  38  22.413   5.269  -8.729
  301   3HG2  VAL  38          HG23      VAL  38  21.518   6.734  -9.098
  302    H    ARG  39           H        ARG  39  21.356   3.404  -6.248
  303    HA   ARG  39           HA       ARG  39  23.569   2.131  -7.734
  304   1HB   ARG  39          HB2       ARG  39  23.915   1.364  -5.442
  305   2HB   ARG  39          HB3       ARG  39  22.218   0.945  -5.270
  306   1HG   ARG  39          HG2       ARG  39  23.646  -1.015  -5.568
  307   2HG   ARG  39          HG3       ARG  39  22.437  -0.902  -6.844
  308   1HD   ARG  39          HD2       ARG  39  24.061  -0.287  -8.488
  309   2HD   ARG  39          HD3       ARG  39  25.228   0.207  -7.257
  310    HE   ARG  39           HE       ARG  39  25.990  -1.899  -7.041
  311   1HH1  ARG  39          HH21      ARG  39  22.948  -2.138  -8.902
  312   2HH1  ARG  39          HH22      ARG  39  23.098  -3.849  -9.123
  313   1HH2  ARG  39          HH11      ARG  39  26.192  -4.131  -7.432
  314   2HH2  ARG  39          HH12      ARG  39  25.002  -4.984  -8.335
  315    H    LEU  40           H        LEU  40  22.544   1.942  -9.639
  316    HA   LEU  40           HA       LEU  40  19.679   1.354  -9.865
  317   1HB   LEU  40          HB2       LEU  40  21.988   1.915 -11.744
  318   2HB   LEU  40          HB3       LEU  40  20.682   0.950 -12.377
  319    HG   LEU  40           HG       LEU  40  20.479   3.347 -12.894
  320   1HD1  LEU  40          HD11      LEU  40  18.063   3.565 -12.217
  321   2HD1  LEU  40          HD12      LEU  40  18.492   2.061 -13.048
  322   3HD1  LEU  40          HD13      LEU  40  18.227   2.072 -11.296
  323   1HD2  LEU  40          HD21      LEU  40  19.775   3.811  -9.973
  324   2HD2  LEU  40          HD22      LEU  40  21.350   4.195 -10.695
  325   3HD2  LEU  40          HD23      LEU  40  19.892   5.007 -11.285
  326    H    VAL  41           H        VAL  41  19.137  -0.537 -11.298
  327    HA   VAL  41           HA       VAL  41  20.806  -2.954 -10.736
  328    HB   VAL  41           HB       VAL  41  17.814  -2.797 -11.125
  329   1HG1  VAL  41          HG11      VAL  41  18.774  -4.912 -11.967
  330   2HG1  VAL  41          HG12      VAL  41  19.660  -5.137 -10.440
  331   3HG1  VAL  41          HG13      VAL  41  17.887  -5.198 -10.471
  332   1HG2  VAL  41          HG21      VAL  41  18.354  -1.915  -8.922
  333   2HG2  VAL  41          HG22      VAL  41  17.795  -3.570  -8.697
  334   3HG2  VAL  41          HG23      VAL  41  19.528  -3.217  -8.628
  335    HA   PRO  42           HA       PRO  42  21.158  -1.668 -15.047
  336   1HB   PRO  42          HB2       PRO  42  23.733  -2.484 -15.602
  337   2HB   PRO  42          HB3       PRO  42  23.343  -1.065 -14.593
  338   1HG   PRO  42          HG2       PRO  42  23.916  -3.895 -13.649
  339   2HG   PRO  42          HG3       PRO  42  24.699  -2.372 -13.106
  340   1HD   PRO  42          HD2       PRO  42  22.642  -3.449 -11.725
  341   2HD   PRO  42          HD3       PRO  42  22.747  -1.675 -11.958
  342    H    ASN  43           H        ASN  43  19.910  -4.112 -14.238
  343    HA   ASN  43           HA       ASN  43  19.898  -5.412 -16.820
  344   1HB   ASN  43          HB2       ASN  43  19.718  -7.662 -15.964
  345   2HB   ASN  43          HB3       ASN  43  21.210  -6.954 -15.371
  346   1HD2  ASN  43          HD22      ASN  43  21.480  -6.718 -13.089
  347   2HD2  ASN  43          HD21      ASN  43  20.284  -7.260 -11.941
  348    H    ARG  44           H        ARG  44  18.195  -3.749 -14.433
  349    HA   ARG  44           HA       ARG  44  15.636  -4.592 -15.715
  350   1HB   ARG  44          HB2       ARG  44  16.324  -4.548 -12.770
  351   2HB   ARG  44          HB3       ARG  44  14.759  -3.942 -13.265
  352   1HG   ARG  44          HG2       ARG  44  14.342  -6.102 -14.510
  353   2HG   ARG  44          HG3       ARG  44  15.855  -6.719 -13.834
  354   1HD   ARG  44          HD2       ARG  44  13.977  -7.509 -12.517
  355   2HD   ARG  44          HD3       ARG  44  14.944  -6.392 -11.537
  356    HE   ARG  44           HE       ARG  44  13.058  -4.727 -12.623
  357   1HH1  ARG  44          HH21      ARG  44  12.759  -7.741 -10.753
  358   2HH1  ARG  44          HH22      ARG  44  11.233  -7.313 -10.073
  359   1HH2  ARG  44          HH11      ARG  44  11.084  -4.166 -11.776
  360   2HH2  ARG  44          HH12      ARG  44  10.243  -5.220 -10.674
  361    H    HIS  45           H        HIS  45  17.407  -2.123 -13.874
  362    HA   HIS  45           HA       HIS  45  17.346   0.037 -13.657
  363   1HB   HIS  45          HB2       HIS  45  15.792   0.309 -16.227
  364   2HB   HIS  45          HB3       HIS  45  16.883   1.465 -15.485
  365    HD1  HIS  45           HD1      HIS  45  16.896  -0.549 -18.375
  366    HD2  HIS  45           HD2      HIS  45  19.583   0.060 -15.191
  367    HE1  HIS  45           HE1      HIS  45  19.190  -1.314 -19.209
  368    H    ASP  46           H        ASP  46  14.162  -1.429 -14.106
  369    HA   ASP  46           HA       ASP  46  12.656   0.930 -13.592
  370   1HB   ASP  46          HB2       ASP  46  10.753  -0.395 -13.725
  371   2HB   ASP  46          HB3       ASP  46  11.885  -1.158 -14.838
  372    H    ILE  47           H        ILE  47  14.550  -0.863 -11.499
  373    HA   ILE  47           HA       ILE  47  13.314   0.456  -9.219
  374    HB   ILE  47           HB       ILE  47  13.420  -1.325  -7.754
  375   1HG1  ILE  47          HG12      ILE  47  15.598  -2.274  -8.257
  376   2HG1  ILE  47          HG13      ILE  47  14.360  -3.487  -8.011
  377   1HG2  ILE  47          HG21      ILE  47  12.416  -2.618 -10.313
  378   2HG2  ILE  47          HG22      ILE  47  11.992  -3.085  -8.653
  379   3HG2  ILE  47          HG23      ILE  47  11.498  -1.507  -9.299
  380   1HD1  ILE  47          HD11      ILE  47  15.864  -4.138  -9.777
  381   2HD1  ILE  47          HD12      ILE  47  14.245  -3.909 -10.435
  382   3HD1  ILE  47          HD13      ILE  47  15.495  -2.671 -10.708
  383    H    ALA  48           H        ALA  48  14.909   0.884  -7.503
  384    HA   ALA  48           HA       ALA  48  17.777   0.724  -8.137
  385   1HB   ALA  48          HB1       ALA  48  18.109   3.135  -8.196
  386   2HB   ALA  48          HB2       ALA  48  16.971   2.704  -9.483
  387   3HB   ALA  48          HB3       ALA  48  16.375   3.427  -7.972
  388    H    PHE  49           H        PHE  49  18.984   1.961  -6.394
  389    HA   PHE  49           HA       PHE  49  17.459   2.282  -3.876
  390   1HB   PHE  49          HB2       PHE  49  20.212   1.022  -4.210
  391   2HB   PHE  49          HB3       PHE  49  19.524   1.516  -2.675
  392    HD1  PHE  49           HD1      PHE  49  18.114   0.063  -1.430
  393    HD2  PHE  49           HD2      PHE  49  18.991  -0.817  -5.570
  394    HE1  PHE  49           HE1      PHE  49  17.082  -2.183  -1.186
  395    HE2  PHE  49           HE2      PHE  49  17.876  -3.022  -5.351
  396    HZ   PHE  49           HZ       PHE  49  16.959  -3.727  -3.136
  397    H    VAL  50           H        VAL  50  18.274   4.015  -2.591
  398    HA   VAL  50           HA       VAL  50  20.269   5.842  -3.830
  399    HB   VAL  50           HB       VAL  50  17.459   6.503  -2.855
  400   1HG1  VAL  50          HG11      VAL  50  18.937   8.291  -2.145
  401   2HG1  VAL  50          HG12      VAL  50  19.672   8.393  -3.758
  402   3HG1  VAL  50          HG13      VAL  50  17.969   8.841  -3.512
  403   1HG2  VAL  50          HG21      VAL  50  18.699   6.718  -5.616
  404   2HG2  VAL  50          HG22      VAL  50  17.422   5.605  -5.099
  405   3HG2  VAL  50          HG23      VAL  50  17.102   7.341  -5.148
  406    H    GLU  51           H        GLU  51  21.529   6.926  -2.270
  407    HA   GLU  51           HA       GLU  51  21.236   6.003   0.549
  408   1HB   GLU  51          HB2       GLU  51  22.873   4.608  -0.603
  409   2HB   GLU  51          HB3       GLU  51  23.708   6.032  -1.242
  410   1HG   GLU  51          HG2       GLU  51  24.370   6.723   1.016
  411   2HG   GLU  51          HG3       GLU  51  23.414   5.424   1.731
  412    H    PHE  52           H        PHE  52  21.645   7.501   2.036
  413    HA   PHE  52           HA       PHE  52  22.372  10.267   1.247
  414   1HB   PHE  52          HB2       PHE  52  19.827   9.106   2.264
  415   2HB   PHE  52          HB3       PHE  52  20.388  10.509   3.151
  416    HD1  PHE  52           HD1      PHE  52  19.948   9.423  -0.431
  417    HD2  PHE  52           HD2      PHE  52  19.591  12.576   2.480
  418    HE1  PHE  52           HE1      PHE  52  19.049  10.922  -2.174
  419    HE2  PHE  52           HE2      PHE  52  18.673  14.083   0.733
  420    HZ   PHE  52           HZ       PHE  52  18.456  13.269  -1.608
  421    H    THR  53           H        THR  53  22.717  11.596   3.116
  422    HA   THR  53           HA       THR  53  24.683  10.529   4.901
  423    HB   THR  53           HB       THR  53  23.208  13.205   4.809
  424    HG1  THR  53           HG1      THR  53  24.221  12.926   2.924
  425   1HG2  THR  53          HG21      THR  53  25.791  12.429   6.205
  426   2HG2  THR  53          HG22      THR  53  25.219  14.103   5.959
  427   3HG2  THR  53          HG23      THR  53  24.269  12.980   6.950
  428    H    THR  54           H        THR  54  21.347  11.849   5.400
  429    HA   THR  54           HA       THR  54  21.264  10.537   8.047
  430    HB   THR  54           HB       THR  54  20.029  12.921   8.510
  431    HG1  THR  54           HG1      THR  54  21.397  14.541   7.701
  432   1HG2  THR  54          HG21      THR  54  23.010  12.366   8.780
  433   2HG2  THR  54          HG22      THR  54  22.101  13.617   9.660
  434   3HG2  THR  54          HG23      THR  54  21.739  11.906   9.930
  435    H    GLU  55           H        GLU  55  19.414   9.931   8.720
  436    HA   GLU  55           HA       GLU  55  17.539   8.919   6.907
  437   1HB   GLU  55          HB2       GLU  55  16.961   9.462   9.852
  438   2HB   GLU  55          HB3       GLU  55  16.240   8.256   8.798
  439   1HG   GLU  55          HG2       GLU  55  17.673   6.897   9.904
  440   2HG   GLU  55          HG3       GLU  55  18.745   7.370   8.597
  441    H    LEU  56           H        LEU  56  17.400  11.920   8.824
  442    HA   LEU  56           HA       LEU  56  14.682  12.603   8.198
  443   1HB   LEU  56          HB2       LEU  56  17.089  14.028   9.343
  444   2HB   LEU  56          HB3       LEU  56  15.732  14.993   8.758
  445    HG   LEU  56           HG       LEU  56  14.168  13.824  10.241
  446   1HD1  LEU  56          HD11      LEU  56  16.626  12.376  11.328
  447   2HD1  LEU  56          HD12      LEU  56  15.023  12.394  12.094
  448   3HD1  LEU  56          HD13      LEU  56  15.226  11.632  10.518
  449   1HD2  LEU  56          HD21      LEU  56  14.963  14.824  12.347
  450   2HD2  LEU  56          HD22      LEU  56  16.609  14.947  11.685
  451   3HD2  LEU  56          HD23      LEU  56  15.284  15.897  10.978
  452    H    GLN  57           H        GLN  57  17.822  13.435   6.620
  453    HA   GLN  57           HA       GLN  57  16.553  15.224   4.713
  454   1HB   GLN  57          HB2       GLN  57  19.261  13.816   4.566
  455   2HB   GLN  57          HB3       GLN  57  18.684  15.114   3.508
  456   1HG   GLN  57          HG2       GLN  57  18.320  16.467   5.723
  457   2HG   GLN  57          HG3       GLN  57  19.368  15.251   6.461
  458   1HE2  GLN  57          HE22      GLN  57  21.629  15.100   5.663
  459   2HE2  GLN  57          HE21      GLN  57  22.325  16.443   4.748
  460    H    SER  58           H        SER  58  17.425  11.776   4.778
  461    HA   SER  58           HA       SER  58  16.629  11.061   2.164
  462   1HB   SER  58          HB2       SER  58  16.151   9.350   4.634
  463   2HB   SER  58          HB3       SER  58  16.509   8.846   2.983
  464    HG   SER  58           HG       SER  58  18.283  10.192   4.773
  465    H    ASN  59           H        ASN  59  14.660  11.283   5.198
  466    HA   ASN  59           HA       ASN  59  12.190  10.605   4.003
  467   1HB   ASN  59          HB2       ASN  59  12.504  10.640   6.434
  468   2HB   ASN  59          HB3       ASN  59  12.771  12.380   6.400
  469   1HD2  ASN  59          HD22      ASN  59  10.980  13.402   7.247
  470   2HD2  ASN  59          HD21      ASN  59   9.330  12.973   6.883
  471    H    ALA  60           H        ALA  60  13.723  13.823   4.417
  472    HA   ALA  60           HA       ALA  60  11.596  15.306   3.246
  473   1HB   ALA  60          HB1       ALA  60  14.579  15.932   3.171
  474   2HB   ALA  60          HB2       ALA  60  13.251  17.074   2.892
  475   3HB   ALA  60          HB3       ALA  60  13.463  16.344   4.496
  476    H    ALA  61           H        ALA  61  14.410  13.743   1.697
  477    HA   ALA  61           HA       ALA  61  13.782  14.603  -0.962
  478   1HB   ALA  61          HB1       ALA  61  16.004  13.747  -0.298
  479   2HB   ALA  61          HB2       ALA  61  15.313  12.123  -0.058
  480   3HB   ALA  61          HB3       ALA  61  15.318  12.859  -1.674
  481    H    LYS  62           H        LYS  62  12.852  11.676   0.901
  482    HA   LYS  62           HA       LYS  62  11.408  10.351  -1.145
  483   1HB   LYS  62          HB2       LYS  62  12.022   9.291   0.974
  484   2HB   LYS  62          HB3       LYS  62  11.004  10.409   1.877
  485   1HG   LYS  62          HG2       LYS  62   8.982   9.485   0.805
  486   2HG   LYS  62          HG3       LYS  62   9.991   8.359  -0.121
  487   1HD   LYS  62          HD2       LYS  62  10.827   7.369   2.011
  488   2HD   LYS  62          HD3       LYS  62   9.813   8.514   2.918
  489   1HE   LYS  62          HE2       LYS  62   7.793   7.568   1.743
  490   2HE   LYS  62          HE3       LYS  62   8.834   6.351   0.993
  491   1HZ   LYS  62          HZ1       LYS  62   9.385   5.568   3.249
  492   2HZ   LYS  62          HZ2       LYS  62   8.374   6.690   3.902
  493   3HZ   LYS  62          HZ3       LYS  62   7.797   5.468   2.979
  494    H    GLU  63           H        GLU  63  10.226  12.705   1.344
  495    HA   GLU  63           HA       GLU  63   7.576  12.842   0.387
  496   1HB   GLU  63          HB2       GLU  63   9.332  14.897   1.795
  497   2HB   GLU  63          HB3       GLU  63   7.618  15.153   1.500
  498   1HG   GLU  63          HG2       GLU  63   8.681  12.766   3.070
  499   2HG   GLU  63          HG3       GLU  63   8.276  14.307   3.807
  500    H    ALA  64           H        ALA  64  10.476  14.614  -0.643
  501    HA   ALA  64           HA       ALA  64   9.149  16.479  -2.326
  502   1HB   ALA  64          HB1       ALA  64  12.011  15.451  -2.426
  503   2HB   ALA  64          HB2       ALA  64  11.409  16.949  -3.162
  504   3HB   ALA  64          HB3       ALA  64  11.425  16.777  -1.392
  505    H    LEU  65           H        LEU  65  10.598  13.252  -3.075
  506    HA   LEU  65           HA       LEU  65   9.801  13.663  -5.928
  507   1HB   LEU  65          HB2       LEU  65  12.056  12.043  -4.711
  508   2HB   LEU  65          HB3       LEU  65  11.607  11.998  -6.412
  509    HG   LEU  65           HG       LEU  65  12.672  14.416  -4.921
  510   1HD1  LEU  65          HD11      LEU  65  14.350  12.684  -5.416
  511   2HD1  LEU  65          HD12      LEU  65  13.860  12.661  -7.117
  512   3HD1  LEU  65          HD13      LEU  65  14.622  14.112  -6.429
  513   1HD2  LEU  65          HD21      LEU  65  12.791  15.497  -7.170
  514   2HD2  LEU  65          HD22      LEU  65  11.875  14.139  -7.854
  515   3HD2  LEU  65          HD23      LEU  65  11.131  15.222  -6.654
  516    H    GLN  66           H        GLN  66   8.638  11.855  -3.309
  517    HA   GLN  66           HA       GLN  66   7.959   9.465  -4.730
  518   1HB   GLN  66          HB2       GLN  66   6.673  10.979  -2.450
  519   2HB   GLN  66          HB3       GLN  66   5.734   9.743  -3.294
  520   1HG   GLN  66          HG2       GLN  66   7.563   8.089  -2.914
  521   2HG   GLN  66          HG3       GLN  66   8.397   9.268  -1.912
  522   1HE2  GLN  66          HE22      GLN  66   7.151   6.558  -1.189
  523   2HE2  GLN  66          HE21      GLN  66   5.955   6.922   0.026
  524    H    GLY  67           H        GLY  67   6.718   9.098  -6.406
  525   1HA   GLY  67          HA2       GLY  67   4.999   9.254  -7.915
  526   2HA   GLY  67          HA3       GLY  67   4.409  10.729  -7.140
  527    H    PHE  68           H        PHE  68   7.789  11.001  -7.835
  528    HA   PHE  68           HA       PHE  68   7.245  13.137  -9.703
  529   1HB   PHE  68          HB2       PHE  68   9.096  13.232  -8.099
  530   2HB   PHE  68          HB3       PHE  68   9.836  11.801  -8.814
  531    HD1  PHE  68           HD1      PHE  68  11.131  11.934 -10.861
  532    HD2  PHE  68           HD2      PHE  68   9.077  15.406  -9.326
  533    HE1  PHE  68           HE1      PHE  68  12.403  13.384 -12.421
  534    HE2  PHE  68           HE2      PHE  68  10.361  16.850 -10.884
  535    HZ   PHE  68           HZ       PHE  68  12.028  15.842 -12.433
  536    H    LYS  69           H        LYS  69   6.943  12.909 -11.867
  537    HA   LYS  69           HA       LYS  69   7.421  10.419 -13.288
  538   1HB   LYS  69          HB2       LYS  69   6.492  13.174 -14.045
  539   2HB   LYS  69          HB3       LYS  69   7.388  12.291 -15.279
  540   1HG   LYS  69          HG2       LYS  69   5.110  11.828 -15.650
  541   2HG   LYS  69          HG3       LYS  69   5.895  10.366 -15.076
  542   1HD   LYS  69          HD2       LYS  69   4.994  10.896 -12.748
  543   2HD   LYS  69          HD3       LYS  69   4.011  12.160 -13.492
  544   1HE   LYS  69          HE2       LYS  69   4.030   9.217 -14.324
  545   2HE   LYS  69          HE3       LYS  69   2.885   9.903 -13.157
  546   1HZ   LYS  69          HZ1       LYS  69   2.159  11.429 -14.986
  547   2HZ   LYS  69          HZ2       LYS  69   3.052  10.521 -16.041
  548   3HZ   LYS  69          HZ3       LYS  69   1.810   9.858 -15.233
  549    H    ILE  70           H        ILE  70   9.418   9.641 -13.415
  550    HA   ILE  70           HA       ILE  70  11.802  11.347 -13.763
  551    HB   ILE  70           HB       ILE  70  11.389   8.375 -14.156
  552   1HG1  ILE  70          HG12      ILE  70  12.729   9.858 -11.852
  553   2HG1  ILE  70          HG13      ILE  70  11.069   9.269 -11.800
  554   1HG2  ILE  70          HG21      ILE  70  13.883   8.297 -14.128
  555   2HG2  ILE  70          HG22      ILE  70  13.307   9.308 -15.456
  556   3HG2  ILE  70          HG23      ILE  70  13.929  10.066 -13.978
  557   1HD1  ILE  70          HD11      ILE  70  11.824   6.958 -12.132
  558   2HD1  ILE  70          HD12      ILE  70  13.522   7.499 -12.118
  559   3HD1  ILE  70          HD13      ILE  70  12.513   7.698 -10.685
  560    H    THR  71           H        THR  71   9.601   9.241 -15.764
  561    HA   THR  71           HA       THR  71   9.866  11.156 -17.964
  562    HB   THR  71           HB       THR  71   9.739   9.250 -19.580
  563    HG1  THR  71           HG1      THR  71  10.535   7.234 -18.805
  564   1HG2  THR  71          HG21      THR  71  11.922  10.387 -19.108
  565   2HG2  THR  71          HG22      THR  71  12.275   9.143 -17.888
  566   3HG2  THR  71          HG23      THR  71  12.111   8.697 -19.599
  567    HA   PRO  72           HA       PRO  72   5.688  11.580 -17.865
  568   1HB   PRO  72          HB2       PRO  72   5.290  10.164 -20.509
  569   2HB   PRO  72          HB3       PRO  72   4.528  11.679 -19.923
  570   1HG   PRO  72          HG2       PRO  72   6.680  11.827 -21.540
  571   2HG   PRO  72          HG3       PRO  72   6.608  12.868 -20.079
  572   1HD   PRO  72          HD2       PRO  72   8.113  10.290 -20.490
  573   2HD   PRO  72          HD3       PRO  72   8.643  11.790 -19.669
  574    H    THR  73           H        THR  73   6.467   8.168 -18.338
  575    HA   THR  73           HA       THR  73   3.843   7.398 -17.193
  576    HB   THR  73           HB       THR  73   4.363   5.228 -18.520
  577    HG1  THR  73           HG1      THR  73   5.820   5.455 -20.187
  578   1HG2  THR  73          HG21      THR  73   3.471   6.137 -20.608
  579   2HG2  THR  73          HG22      THR  73   2.657   6.894 -19.232
  580   3HG2  THR  73          HG23      THR  73   3.907   7.790 -20.123
  581    H    HIS  74           H        HIS  74   6.746   7.947 -16.008
  582    HA   HIS  74           HA       HIS  74   6.805   5.478 -14.333
  583   1HB   HIS  74          HB2       HIS  74   9.184   6.887 -15.579
  584   2HB   HIS  74          HB3       HIS  74   9.232   5.548 -14.425
  585    HD1  HIS  74           HD1      HIS  74   8.841   6.219 -18.087
  586    HD2  HIS  74           HD2      HIS  74   8.155   3.116 -15.333
  587    HE1  HIS  74           HE1      HIS  74   8.470   4.098 -19.471
  588    H    ALA  75           H        ALA  75   5.450   6.860 -13.056
  589    HA   ALA  75           HA       ALA  75   6.549   9.078 -11.545
  590   1HB   ALA  75          HB1       ALA  75   4.632   8.631 -10.042
  591   2HB   ALA  75          HB2       ALA  75   4.113   8.741 -11.725
  592   3HB   ALA  75          HB3       ALA  75   4.252   7.153 -10.942
  593    H    MET  76           H        MET  76   8.433   8.670 -10.538
  594    HA   MET  76           HA       MET  76   9.538   6.391  -9.485
  595   1HB   MET  76          HB2       MET  76  10.572   8.648  -9.756
  596   2HB   MET  76          HB3       MET  76   9.635   9.242  -8.394
  597   1HG   MET  76          HG2       MET  76  10.773   7.453  -6.976
  598   2HG   MET  76          HG3       MET  76  11.833   7.150  -8.351
  599   1HE   MET  76          HE1       MET  76  13.610   9.032  -9.296
  600   2HE   MET  76          HE2       MET  76  12.271  10.188  -9.510
  601   3HE   MET  76          HE3       MET  76  13.723  10.661  -8.606
  602    H    LYS  77           H        LYS  77   8.671   4.941  -8.047
  603    HA   LYS  77           HA       LYS  77   7.113   5.965  -5.704
  604   1HB   LYS  77          HB2       LYS  77   7.741   3.206  -6.793
  605   2HB   LYS  77          HB3       LYS  77   7.110   3.465  -5.157
  606   1HG   LYS  77          HG2       LYS  77   5.155   4.703  -6.246
  607   2HG   LYS  77          HG3       LYS  77   5.722   4.064  -7.798
  608   1HD   LYS  77          HD2       LYS  77   5.002   2.381  -5.351
  609   2HD   LYS  77          HD3       LYS  77   3.904   2.699  -6.698
  610   1HE   LYS  77          HE2       LYS  77   5.239   1.471  -8.244
  611   2HE   LYS  77          HE3       LYS  77   6.621   1.413  -7.142
  612   1HZ   LYS  77          HZ1       LYS  77   5.450  -0.079  -5.727
  613   2HZ   LYS  77          HZ2       LYS  77   4.061   0.034  -6.610
  614   3HZ   LYS  77          HZ3       LYS  77   5.386  -0.682  -7.240
  615    H    ILE  78           H        ILE  78   8.057   5.745  -3.625
  616    HA   ILE  78           HA       ILE  78  10.920   4.988  -3.449
  617    HB   ILE  78           HB       ILE  78   9.734   7.499  -2.220
  618   1HG1  ILE  78          HG12      ILE  78  11.563   7.404  -4.643
  619   2HG1  ILE  78          HG13      ILE  78   9.866   7.878  -4.647
  620   1HG2  ILE  78          HG21      ILE  78  12.627   6.600  -2.379
  621   2HG2  ILE  78          HG22      ILE  78  12.028   8.056  -1.569
  622   3HG2  ILE  78          HG23      ILE  78  11.600   6.489  -0.939
  623   1HD1  ILE  78          HD11      ILE  78  12.160   9.375  -3.338
  624   2HD1  ILE  78          HD12      ILE  78  11.177   9.851  -4.721
  625   3HD1  ILE  78          HD13      ILE  78  10.440   9.772  -3.113
  626    H    THR  79           H        THR  79  11.336   3.978  -1.514
  627    HA   THR  79           HA       THR  79   9.396   3.947   0.705
  628    HB   THR  79           HB       THR  79  10.056   1.305   0.514
  629    HG1  THR  79           HG1      THR  79  10.912   1.865  -1.725
  630   1HG2  THR  79          HG21      THR  79   7.704   2.591  -0.949
  631   2HG2  THR  79          HG22      THR  79   7.779   0.933  -0.299
  632   3HG2  THR  79          HG23      THR  79   7.781   2.313   0.793
  633    H    PHE  80           H        PHE  80  10.510   3.166   2.737
  634    HA   PHE  80           HA       PHE  80  13.349   3.940   2.679
  635   1HB   PHE  80          HB2       PHE  80  11.538   2.892   4.876
  636   2HB   PHE  80          HB3       PHE  80  13.248   3.247   5.107
  637    HD1  PHE  80           HD1      PHE  80  10.076   4.599   5.601
  638    HD2  PHE  80           HD2      PHE  80  13.987   5.695   4.158
  639    HE1  PHE  80           HE1      PHE  80   9.580   6.992   6.049
  640    HE2  PHE  80           HE2      PHE  80  13.453   8.088   4.515
  641    HZ   PHE  80           HZ       PHE  80  11.236   8.738   5.450
  642    H    ALA  81           H        ALA  81  15.042   2.590   2.441
  643    HA   ALA  81           HA       ALA  81  14.607  -0.315   2.118
  644   1HB   ALA  81          HB1       ALA  81  16.118   0.902   0.534
  645   2HB   ALA  81          HB2       ALA  81  17.160   1.319   1.915
  646   3HB   ALA  81          HB3       ALA  81  16.947  -0.370   1.429
  647    H    LYS  82           H        LYS  82  16.913  -1.334   3.295
  648    HA   LYS  82           HA       LYS  82  16.641  -0.664   6.188
  649   1HB   LYS  82          HB2       LYS  82  16.383  -3.419   4.898
  650   2HB   LYS  82          HB3       LYS  82  16.464  -3.111   6.637
  651   1HG   LYS  82          HG2       LYS  82  14.418  -1.761   6.534
  652   2HG   LYS  82          HG3       LYS  82  14.267  -2.030   4.804
  653   1HD   LYS  82          HD2       LYS  82  14.039  -4.115   6.997
  654   2HD   LYS  82          HD3       LYS  82  12.735  -3.478   6.004
  655   1HE   LYS  82          HE2       LYS  82  15.041  -5.249   5.078
  656   2HE   LYS  82          HE3       LYS  82  13.359  -5.724   5.287
  657   1HZ   LYS  82          HZ1       LYS  82  12.788  -4.133   3.477
  658   2HZ   LYS  82          HZ2       LYS  82  14.379  -3.850   3.234
  659   3HZ   LYS  82          HZ3       LYS  82  13.776  -5.340   2.989
  660    H    LYS  83           H        LYS  83  18.408  -1.522   7.476
  661    HA   LYS  83           HA       LYS  83  20.753  -2.636   6.256
  662   1HB   LYS  83          HB2       LYS  83  22.269  -0.836   7.082
  663   2HB   LYS  83          HB3       LYS  83  21.307  -0.367   5.687
  664   1HG   LYS  83          HG2       LYS  83  19.786   0.934   7.086
  665   2HG   LYS  83          HG3       LYS  83  20.616   0.419   8.558
  666   1HD   LYS  83          HD2       LYS  83  21.952   2.006   6.323
  667   2HD   LYS  83          HD3       LYS  83  21.184   2.742   7.738
  668   1HE   LYS  83          HE2       LYS  83  22.714   1.607   9.257
  669   2HE   LYS  83          HE3       LYS  83  23.454   0.716   7.924
  670   1HZ   LYS  83          HZ1       LYS  83  24.319   2.773   7.057
  671   2HZ   LYS  83          HZ2       LYS  83  23.566   3.676   8.200
  672   3HZ   LYS  83          HZ3       LYS  83  24.760   2.642   8.616
  Start of MODEL    2
    1   1H    ALA   1          H1        ALA   1   2.757  -5.128  -1.140
    2   2H    ALA   1          H2        ALA   1   2.591  -4.416   0.323
    3   3H    ALA   1          H3        ALA   1   1.279  -4.634  -0.636
    4    HA   ALA   1           HA       ALA   1   2.112  -3.149  -2.278
    5   1HB   ALA   1          HB1       ALA   1   0.656  -2.152  -0.602
    6   2HB   ALA   1          HB2       ALA   1   2.023  -1.888   0.499
    7   3HB   ALA   1          HB3       ALA   1   1.936  -1.013  -1.044
    8    H    GLN   2           H        GLN   2   4.128  -2.098   0.535
    9    HA   GLN   2           HA       GLN   2   6.606  -2.806  -0.805
   10   1HB   GLN   2          HB2       GLN   2   7.490  -0.507  -0.813
   11   2HB   GLN   2          HB3       GLN   2   6.139  -0.670  -1.925
   12   1HG   GLN   2          HG2       GLN   2   4.618   0.351  -0.199
   13   2HG   GLN   2          HG3       GLN   2   6.017   0.581   0.857
   14   1HE2  GLN   2          HE22      GLN   2   7.974   1.552  -1.039
   15   2HE2  GLN   2          HE21      GLN   2   7.442   3.147  -1.443
   16    H    THR   3           H        THR   3   8.405  -2.611   0.724
   17    HA   THR   3           HA       THR   3   7.573  -3.053   3.469
   18    HB   THR   3           HB       THR   3  10.117  -3.556   3.630
   19    HG1  THR   3           HG1      THR   3  10.865  -2.542   1.808
   20   1HG2  THR   3          HG21      THR   3   9.853  -5.724   2.506
   21   2HG2  THR   3          HG22      THR   3   8.394  -5.311   3.418
   22   3HG2  THR   3          HG23      THR   3   8.410  -5.136   1.649
   23    H    GLU   4           H        GLU   4   6.787  -0.589   3.303
   24    HA   GLU   4           HA       GLU   4   8.813   1.439   3.689
   25   1HB   GLU   4          HB2       GLU   4   6.504   1.897   2.866
   26   2HB   GLU   4          HB3       GLU   4   5.864   1.470   4.461
   27   1HG   GLU   4          HG2       GLU   4   7.067   3.355   5.477
   28   2HG   GLU   4          HG3       GLU   4   7.918   3.675   3.964
   29    H    GLN   5           H        GLN   5   9.312   2.476   5.741
   30    HA   GLN   5           HA       GLN   5   9.011   0.901   8.198
   31   1HB   GLN   5          HB2       GLN   5  11.630   1.473   6.707
   32   2HB   GLN   5          HB3       GLN   5  11.610   1.024   8.393
   33   1HG   GLN   5          HG2       GLN   5  10.594  -0.741   6.138
   34   2HG   GLN   5          HG3       GLN   5  12.172  -0.837   6.888
   35   1HE2  GLN   5          HE22      GLN   5   8.681  -1.334   7.446
   36   2HE2  GLN   5          HE21      GLN   5   8.880  -2.379   8.844
   37    HA   PRO   6           HA       PRO   6   9.831   5.135   9.820
   38   1HB   PRO   6          HB2       PRO   6  11.790   4.715  11.754
   39   2HB   PRO   6          HB3       PRO   6  10.031   4.499  12.005
   40   1HG   PRO   6          HG2       PRO   6  12.093   2.389  11.309
   41   2HG   PRO   6          HG3       PRO   6  10.814   2.319  12.565
   42   1HD   PRO   6          HD2       PRO   6  10.449   1.132  10.176
   43   2HD   PRO   6          HD3       PRO   6   9.112   2.029  10.933
   44    HA   PRO   7           HA       PRO   7  12.977   6.649   7.290
   45   1HB   PRO   7          HB2       PRO   7  14.128   8.167   9.648
   46   2HB   PRO   7          HB3       PRO   7  13.841   8.748   7.979
   47   1HG   PRO   7          HG2       PRO   7  12.049   9.311   9.918
   48   2HG   PRO   7          HG3       PRO   7  11.471   8.758   8.312
   49   1HD   PRO   7          HD2       PRO   7  11.738   7.165  10.865
   50   2HD   PRO   7          HD3       PRO   7  10.438   7.144   9.637
   51    H    ASN   8           H        ASN   8  14.997   6.253   6.458
   52    HA   ASN   8           HA       ASN   8  17.237   5.378   8.132
   53   1HB   ASN   8          HB2       ASN   8  16.198   3.210   7.628
   54   2HB   ASN   8          HB3       ASN   8  16.016   3.662   5.929
   55   1HD2  ASN   8          HD22      ASN   8  17.351   2.191   4.922
   56   2HD2  ASN   8          HD21      ASN   8  19.084   2.094   5.215
   57    H    GLN   9           H        GLN   9  19.233   5.664   6.942
   58    HA   GLN   9           HA       GLN   9  19.118   7.923   5.135
   59   1HB   GLN   9          HB2       GLN   9  21.442   8.082   5.445
   60   2HB   GLN   9          HB3       GLN   9  20.744   7.667   7.003
   61   1HG   GLN   9          HG2       GLN   9  21.374   5.267   6.617
   62   2HG   GLN   9          HG3       GLN   9  22.153   5.740   5.096
   63   1HE2  GLN   9          HE22      GLN   9  23.721   7.801   5.456
   64   2HE2  GLN   9          HE21      GLN   9  24.818   7.590   6.806
   65    H    ILE  10           H        ILE  10  18.410   4.896   4.227
   66    HA   ILE  10           HA       ILE  10  19.695   5.193   1.602
   67    HB   ILE  10           HB       ILE  10  19.585   2.497   3.011
   68   1HG1  ILE  10          HG12      ILE  10  21.944   4.379   2.697
   69   2HG1  ILE  10          HG13      ILE  10  21.247   3.750   4.194
   70   1HG2  ILE  10          HG21      ILE  10  20.882   1.682   1.105
   71   2HG2  ILE  10          HG22      ILE  10  19.449   2.472   0.490
   72   3HG2  ILE  10          HG23      ILE  10  21.004   3.324   0.437
   73   1HD1  ILE  10          HD11      ILE  10  21.971   1.437   3.476
   74   2HD1  ILE  10          HD12      ILE  10  22.889   2.215   2.162
   75   3HD1  ILE  10          HD13      ILE  10  23.278   2.583   3.848
   76    H    LEU  11           H        LEU  11  18.336   4.515  -0.023
   77    HA   LEU  11           HA       LEU  11  15.505   3.918   0.712
   78   1HB   LEU  11          HB2       LEU  11  16.580   5.777  -1.450
   79   2HB   LEU  11          HB3       LEU  11  14.886   5.409  -1.153
   80    HG   LEU  11           HG       LEU  11  16.729   6.894   0.776
   81   1HD1  LEU  11          HD11      LEU  11  15.416   8.880   0.180
   82   2HD1  LEU  11          HD12      LEU  11  16.237   8.204  -1.234
   83   3HD1  LEU  11          HD13      LEU  11  14.497   7.936  -1.008
   84   1HD2  LEU  11          HD21      LEU  11  15.060   5.748   2.059
   85   2HD2  LEU  11          HD22      LEU  11  14.549   7.433   1.950
   86   3HD2  LEU  11          HD23      LEU  11  13.761   6.211   0.933
   87    H    PHE  12           H        PHE  12  14.448   2.599  -0.764
   88    HA   PHE  12           HA       PHE  12  16.040   1.354  -2.959
   89   1HB   PHE  12          HB2       PHE  12  15.535  -0.352  -1.265
   90   2HB   PHE  12          HB3       PHE  12  13.852   0.159  -1.205
   91    HD1  PHE  12           HD1      PHE  12  12.304  -1.171  -2.416
   92    HD2  PHE  12           HD2      PHE  12  16.351  -0.845  -3.860
   93    HE1  PHE  12           HE1      PHE  12  11.814  -2.831  -4.190
   94    HE2  PHE  12           HE2      PHE  12  15.845  -2.460  -5.661
   95    HZ   PHE  12           HZ       PHE  12  13.579  -3.470  -5.831
   96    H    LEU  13           H        LEU  13  14.989   1.459  -4.939
   97    HA   LEU  13           HA       LEU  13  12.514   3.122  -5.037
   98   1HB   LEU  13          HB2       LEU  13  15.241   3.490  -6.282
   99   2HB   LEU  13          HB3       LEU  13  13.836   3.814  -7.268
  100    HG   LEU  13           HG       LEU  13  12.957   5.375  -5.516
  101   1HD1  LEU  13          HD11      LEU  13  14.720   6.344  -3.965
  102   2HD1  LEU  13          HD12      LEU  13  14.164   4.725  -3.531
  103   3HD1  LEU  13          HD13      LEU  13  15.731   4.927  -4.326
  104   1HD2  LEU  13          HD21      LEU  13  14.368   7.191  -6.230
  105   2HD2  LEU  13          HD22      LEU  13  15.688   6.081  -6.646
  106   3HD2  LEU  13          HD23      LEU  13  14.178   6.089  -7.587
  107    H    THR  14           H        THR  14  11.156   2.716  -6.680
  108    HA   THR  14           HA       THR  14  11.537   0.368  -8.444
  109    HB   THR  14           HB       THR  14   9.160  -0.250  -7.609
  110    HG1  THR  14           HG1      THR  14   8.688   0.433  -5.514
  111   1HG2  THR  14          HG21      THR  14   9.986  -1.560  -5.722
  112   2HG2  THR  14          HG22      THR  14  11.200  -1.572  -7.019
  113   3HG2  THR  14          HG23      THR  14  11.428  -0.534  -5.596
  114    H    ASN  15           H        ASN  15   9.567   0.154  -9.896
  115    HA   ASN  15           HA       ASN  15   8.381   0.869 -11.616
  116   1HB   ASN  15          HB2       ASN  15   6.836   1.433  -9.701
  117   2HB   ASN  15          HB3       ASN  15   7.391   3.106  -9.826
  118   1HD2  ASN  15          HD22      ASN  15   5.971   4.361 -11.010
  119   2HD2  ASN  15          HD21      ASN  15   4.912   3.756 -12.278
  120    H    LEU  16           H        LEU  16  11.088   1.929 -11.364
  121    HA   LEU  16           HA       LEU  16  11.115   4.644 -12.415
  122   1HB   LEU  16          HB2       LEU  16  13.363   2.626 -12.500
  123   2HB   LEU  16          HB3       LEU  16  13.497   4.367 -12.478
  124    HG   LEU  16           HG       LEU  16  12.627   2.639 -10.130
  125   1HD1  LEU  16          HD11      LEU  16  15.199   4.169 -10.627
  126   2HD1  LEU  16          HD12      LEU  16  14.803   3.171  -9.208
  127   3HD1  LEU  16          HD13      LEU  16  15.005   2.425 -10.801
  128   1HD2  LEU  16          HD21      LEU  16  13.333   5.580 -10.029
  129   2HD2  LEU  16          HD22      LEU  16  11.651   5.022 -10.233
  130   3HD2  LEU  16          HD23      LEU  16  12.539   4.579  -8.796
  131    HA   PRO  17           HA       PRO  17  10.980   3.863 -16.848
  132   1HB   PRO  17          HB2       PRO  17  13.829   4.806 -16.971
  133   2HB   PRO  17          HB3       PRO  17  12.451   5.205 -18.046
  134   1HG   PRO  17          HG2       PRO  17  13.231   6.910 -16.108
  135   2HG   PRO  17          HG3       PRO  17  11.483   6.624 -16.407
  136   1HD   PRO  17          HD2       PRO  17  13.209   5.557 -14.208
  137   2HD   PRO  17          HD3       PRO  17  11.496   6.050 -14.163
  138    H    GLU  18           H        GLU  18  11.754   2.448 -18.523
  139    HA   GLU  18           HA       GLU  18  13.226   0.085 -17.656
  140   1HB   GLU  18          HB2       GLU  18  12.852  -0.677 -19.958
  141   2HB   GLU  18          HB3       GLU  18  11.358  -0.087 -19.232
  142   1HG   GLU  18          HG2       GLU  18  11.586   2.062 -20.449
  143   2HG   GLU  18          HG3       GLU  18  13.107   1.517 -21.156
  144    H    GLU  19           H        GLU  19  14.287   3.122 -18.321
  145    HA   GLU  19           HA       GLU  19  16.839   2.268 -19.400
  146   1HB   GLU  19          HB2       GLU  19  16.724   4.139 -20.977
  147   2HB   GLU  19          HB3       GLU  19  15.304   3.100 -21.141
  148   1HG   GLU  19          HG2       GLU  19  13.929   4.683 -19.875
  149   2HG   GLU  19          HG3       GLU  19  15.319   5.734 -19.611
  150    H    THR  20           H        THR  20  15.739   3.289 -16.589
  151    HA   THR  20           HA       THR  20  16.858   5.801 -16.018
  152    HB   THR  20           HB       THR  20  16.941   3.630 -13.948
  153    HG1  THR  20           HG1      THR  20  15.017   3.040 -14.273
  154   1HG2  THR  20          HG21      THR  20  15.845   5.380 -12.591
  155   2HG2  THR  20          HG22      THR  20  17.322   6.010 -13.333
  156   3HG2  THR  20          HG23      THR  20  15.734   6.435 -14.015
  157    H    ASN  21           H        ASN  21  18.862   6.411 -15.159
  158    HA   ASN  21           HA       ASN  21  21.046   4.431 -15.211
  159   1HB   ASN  21          HB2       ASN  21  21.085   5.564 -17.415
  160   2HB   ASN  21          HB3       ASN  21  21.051   7.142 -16.628
  161   1HD2  ASN  21          HD22      ASN  21  23.067   4.201 -17.122
  162   2HD2  ASN  21          HD21      ASN  21  24.568   4.979 -16.701
  163    H    GLU  22           H        GLU  22  22.873   5.199 -13.888
  164    HA   GLU  22           HA       GLU  22  22.251   6.224 -11.385
  165   1HB   GLU  22          HB2       GLU  22  24.279   4.928 -12.169
  166   2HB   GLU  22          HB3       GLU  22  24.908   6.428 -12.857
  167   1HG   GLU  22          HG2       GLU  22  24.817   7.435 -10.529
  168   2HG   GLU  22          HG3       GLU  22  24.325   5.846  -9.926
  169    H    MET  23           H        MET  23  23.254   7.987 -14.298
  170    HA   MET  23           HA       MET  23  23.757  10.516 -13.126
  171   1HB   MET  23          HB2       MET  23  24.452   9.880 -15.401
  172   2HB   MET  23          HB3       MET  23  22.761   9.818 -15.916
  173   1HG   MET  23          HG2       MET  23  23.810  11.887 -16.648
  174   2HG   MET  23          HG3       MET  23  22.512  12.221 -15.511
  175   1HE   MET  23          HE1       MET  23  23.155  14.647 -15.014
  176   2HE   MET  23          HE2       MET  23  24.815  15.205 -14.713
  177   3HE   MET  23          HE3       MET  23  24.386  14.508 -16.291
  178    H    MET  24           H        MET  24  20.703   9.009 -14.161
  179    HA   MET  24           HA       MET  24  19.170  11.453 -14.197
  180   1HB   MET  24          HB2       MET  24  18.163   8.571 -13.857
  181   2HB   MET  24          HB3       MET  24  17.187   9.994 -14.226
  182   1HG   MET  24          HG2       MET  24  18.576  10.298 -16.315
  183   2HG   MET  24          HG3       MET  24  19.367   8.765 -15.921
  184   1HE   MET  24          HE1       MET  24  15.603  10.103 -15.960
  185   2HE   MET  24          HE2       MET  24  16.313  10.523 -17.533
  186   3HE   MET  24          HE3       MET  24  15.029   9.300 -17.436
  187    H    LEU  25           H        LEU  25  19.484   8.783 -11.850
  188    HA   LEU  25           HA       LEU  25  17.721  10.128  -9.994
  189   1HB   LEU  25          HB2       LEU  25  19.670   7.848  -9.486
  190   2HB   LEU  25          HB3       LEU  25  18.411   8.394  -8.381
  191    HG   LEU  25           HG       LEU  25  18.081   7.004 -11.067
  192   1HD1  LEU  25          HD11      LEU  25  17.226   6.364  -8.217
  193   2HD1  LEU  25          HD12      LEU  25  16.858   5.376  -9.653
  194   3HD1  LEU  25          HD13      LEU  25  18.534   5.594  -9.130
  195   1HD2  LEU  25          HD21      LEU  25  15.985   8.481  -9.432
  196   2HD2  LEU  25          HD22      LEU  25  16.393   8.690 -11.156
  197   3HD2  LEU  25          HD23      LEU  25  15.585   7.212 -10.625
  198    H    SER  26           H        SER  26  21.311  10.000 -10.356
  199    HA   SER  26           HA       SER  26  21.768  11.256  -7.827
  200   1HB   SER  26          HB2       SER  26  24.006  11.879  -8.808
  201   2HB   SER  26          HB3       SER  26  23.620  10.152  -8.783
  202    HG   SER  26           HG       SER  26  23.238  10.151 -10.910
  203    H    MET  27           H        MET  27  21.424  12.658 -11.160
  204    HA   MET  27           HA       MET  27  21.665  15.313 -10.169
  205   1HB   MET  27          HB2       MET  27  21.016  16.128 -12.243
  206   2HB   MET  27          HB3       MET  27  21.918  14.653 -12.573
  207   1HG   MET  27          HG2       MET  27  19.781  13.462 -12.964
  208   2HG   MET  27          HG3       MET  27  18.883  14.939 -12.609
  209   1HE   MET  27          HE1       MET  27  18.283  13.297 -15.183
  210   2HE   MET  27          HE2       MET  27  17.513  14.851 -14.795
  211   3HE   MET  27          HE3       MET  27  18.213  14.583 -16.405
  212    H    LEU  28           H        LEU  28  18.794  13.149 -10.292
  213    HA   LEU  28           HA       LEU  28  16.968  15.267  -9.587
  214   1HB   LEU  28          HB2       LEU  28  16.806  12.247  -9.338
  215   2HB   LEU  28          HB3       LEU  28  15.511  13.308  -8.795
  216    HG   LEU  28           HG       LEU  28  16.574  13.281 -11.641
  217   1HD1  LEU  28          HD11      LEU  28  14.037  12.010 -10.528
  218   2HD1  LEU  28          HD12      LEU  28  14.553  12.026 -12.229
  219   3HD1  LEU  28          HD13      LEU  28  15.495  11.125 -11.036
  220   1HD2  LEU  28          HD21      LEU  28  14.110  14.594 -10.429
  221   2HD2  LEU  28          HD22      LEU  28  15.518  15.420 -11.136
  222   3HD2  LEU  28          HD23      LEU  28  14.459  14.477 -12.170
  223    H    PHE  29           H        PHE  29  18.435  12.700  -7.520
  224    HA   PHE  29           HA       PHE  29  17.199  13.909  -5.191
  225   1HB   PHE  29          HB2       PHE  29  19.200  11.656  -5.572
  226   2HB   PHE  29          HB3       PHE  29  18.736  12.254  -3.983
  227    HD1  PHE  29           HD1      PHE  29  17.243  10.715  -7.070
  228    HD2  PHE  29           HD2      PHE  29  16.824  11.559  -2.866
  229    HE1  PHE  29           HE1      PHE  29  15.278   9.229  -6.961
  230    HE2  PHE  29           HE2      PHE  29  14.843  10.078  -2.761
  231    HZ   PHE  29           HZ       PHE  29  14.069   8.908  -4.809
  232    H    ASN  30           H        ASN  30  20.423  14.378  -6.663
  233    HA   ASN  30           HA       ASN  30  21.735  15.223  -4.324
  234   1HB   ASN  30          HB2       ASN  30  22.900  14.599  -6.320
  235   2HB   ASN  30          HB3       ASN  30  22.235  16.004  -7.190
  236   1HD2  ASN  30          HD22      ASN  30  23.780  17.632  -7.390
  237   2HD2  ASN  30          HD21      ASN  30  25.011  17.982  -6.207
  238    H    GLN  31           H        GLN  31  19.197  16.883  -5.968
  239    HA   GLN  31           HA       GLN  31  19.864  19.573  -5.430
  240   1HB   GLN  31          HB2       GLN  31  17.536  20.052  -5.660
  241   2HB   GLN  31          HB3       GLN  31  17.944  18.794  -6.827
  242   1HG   GLN  31          HG2       GLN  31  17.007  17.086  -5.209
  243   2HG   GLN  31          HG3       GLN  31  16.515  18.410  -4.158
  244   1HE2  GLN  31          HE22      GLN  31  15.761  16.682  -7.097
  245   2HE2  GLN  31          HE21      GLN  31  14.260  17.528  -7.461
  246    H    PHE  32           H        PHE  32  18.898  16.949  -3.247
  247    HA   PHE  32           HA       PHE  32  18.198  18.804  -1.081
  248   1HB   PHE  32          HB2       PHE  32  18.495  15.790  -0.992
  249   2HB   PHE  32          HB3       PHE  32  17.679  16.809   0.188
  250    HD1  PHE  32           HD1      PHE  32  15.703  18.376  -0.963
  251    HD2  PHE  32           HD2      PHE  32  17.156  14.620  -2.494
  252    HE1  PHE  32           HE1      PHE  32  13.669  18.142  -2.370
  253    HE2  PHE  32           HE2      PHE  32  15.141  14.392  -3.886
  254    HZ   PHE  32           HZ       PHE  32  13.419  16.167  -3.881
  255    HA   PRO  33           HA       PRO  33  22.494  18.968   0.034
  256   1HB   PRO  33          HB2       PRO  33  22.413  20.356   2.388
  257   2HB   PRO  33          HB3       PRO  33  21.898  21.052   0.830
  258   1HG   PRO  33          HG2       PRO  33  20.136  19.778   2.947
  259   2HG   PRO  33          HG3       PRO  33  19.941  21.380   2.166
  260   1HD   PRO  33          HD2       PRO  33  18.618  19.167   1.271
  261   2HD   PRO  33          HD3       PRO  33  19.225  20.420   0.146
  262    H    GLY  34           H        GLY  34  21.299  16.397   0.574
  263   1HA   GLY  34          HA2       GLY  34  23.036  15.454   2.782
  264   2HA   GLY  34          HA3       GLY  34  21.309  15.054   2.817
  265    H    PHE  35           H        PHE  35  21.877  15.027  -0.467
  266    HA   PHE  35           HA       PHE  35  21.848  12.234  -0.748
  267   1HB   PHE  35          HB2       PHE  35  21.074  13.793  -2.436
  268   2HB   PHE  35          HB3       PHE  35  22.641  14.597  -2.480
  269    HD1  PHE  35           HD1      PHE  35  24.561  13.640  -3.671
  270    HD2  PHE  35           HD2      PHE  35  20.732  11.657  -3.626
  271    HE1  PHE  35           HE1      PHE  35  25.282  12.177  -5.552
  272    HE2  PHE  35           HE2      PHE  35  21.430  10.264  -5.539
  273    HZ   PHE  35           HZ       PHE  35  23.715  10.511  -6.480
  274    H    LYS  36           H        LYS  36  23.460  10.838  -1.400
  275    HA   LYS  36           HA       LYS  36  26.284  11.790  -1.401
  276   1HB   LYS  36          HB2       LYS  36  25.372   9.242  -0.024
  277   2HB   LYS  36          HB3       LYS  36  27.043   9.744  -0.297
  278   1HG   LYS  36          HG2       LYS  36  26.541  11.814   1.125
  279   2HG   LYS  36          HG3       LYS  36  25.021  11.027   1.563
  280   1HD   LYS  36          HD2       LYS  36  27.861  10.097   2.125
  281   2HD   LYS  36          HD3       LYS  36  26.623  10.546   3.306
  282   1HE   LYS  36          HE2       LYS  36  25.295   8.545   2.706
  283   2HE   LYS  36          HE3       LYS  36  26.433   8.154   1.419
  284   1HZ   LYS  36          HZ1       LYS  36  26.887   6.774   3.188
  285   2HZ   LYS  36          HZ2       LYS  36  28.137   7.827   3.139
  286   3HZ   LYS  36          HZ3       LYS  36  26.992   7.991   4.303
  287    H    GLU  37           H        GLU  37  24.075   8.959  -2.234
  288    HA   GLU  37           HA       GLU  37  25.666   8.646  -4.699
  289   1HB   GLU  37          HB2       GLU  37  26.982   7.600  -2.818
  290   2HB   GLU  37          HB3       GLU  37  25.626   6.544  -2.476
  291   1HG   GLU  37          HG2       GLU  37  27.436   5.416  -3.660
  292   2HG   GLU  37          HG3       GLU  37  25.952   5.363  -4.577
  293    H    VAL  38           H        VAL  38  24.940   6.838  -6.039
  294    HA   VAL  38           HA       VAL  38  22.177   5.824  -5.575
  295    HB   VAL  38           HB       VAL  38  23.385   6.950  -8.139
  296   1HG1  VAL  38          HG11      VAL  38  20.700   5.533  -7.814
  297   2HG1  VAL  38          HG12      VAL  38  21.265   6.393  -9.267
  298   3HG1  VAL  38          HG13      VAL  38  22.091   4.944  -8.758
  299   1HG2  VAL  38          HG21      VAL  38  22.463   8.652  -6.664
  300   2HG2  VAL  38          HG22      VAL  38  21.480   8.481  -8.112
  301   3HG2  VAL  38          HG23      VAL  38  20.915   7.790  -6.577
  302    H    ARG  39           H        ARG  39  21.887   3.694  -6.315
  303    HA   ARG  39           HA       ARG  39  24.123   2.329  -7.709
  304   1HB   ARG  39          HB2       ARG  39  22.673   1.157  -5.300
  305   2HB   ARG  39          HB3       ARG  39  23.812   0.308  -6.344
  306   1HG   ARG  39          HG2       ARG  39  25.614   1.883  -5.658
  307   2HG   ARG  39          HG3       ARG  39  24.466   2.730  -4.604
  308   1HD   ARG  39          HD2       ARG  39  24.103   0.585  -3.341
  309   2HD   ARG  39          HD3       ARG  39  25.351  -0.165  -4.337
  310    HE   ARG  39           HE       ARG  39  27.004   0.986  -3.219
  311   1HH1  ARG  39          HH21      ARG  39  23.840   2.274  -2.106
  312   2HH1  ARG  39          HH22      ARG  39  24.607   3.168  -0.797
  313   1HH2  ARG  39          HH11      ARG  39  27.855   2.247  -1.416
  314   2HH2  ARG  39          HH12      ARG  39  26.710   3.149  -0.436
  315    H    LEU  40           H        LEU  40  23.044   2.323  -9.630
  316    HA   LEU  40           HA       LEU  40  20.220   1.699  -9.966
  317   1HB   LEU  40          HB2       LEU  40  22.354   2.813 -11.533
  318   2HB   LEU  40          HB3       LEU  40  21.989   1.286 -12.285
  319    HG   LEU  40           HG       LEU  40  20.796   3.057 -13.356
  320   1HD1  LEU  40          HD11      LEU  40  18.730   1.486 -11.766
  321   2HD1  LEU  40          HD12      LEU  40  18.545   2.239 -13.352
  322   3HD1  LEU  40          HD13      LEU  40  19.641   0.870 -13.182
  323   1HD2  LEU  40          HD21      LEU  40  20.693   4.669 -11.493
  324   2HD2  LEU  40          HD22      LEU  40  19.131   4.472 -12.287
  325   3HD2  LEU  40          HD23      LEU  40  19.426   3.705 -10.715
  326    H    VAL  41           H        VAL  41  19.689  -0.199 -11.416
  327    HA   VAL  41           HA       VAL  41  21.429  -2.577 -10.953
  328    HB   VAL  41           HB       VAL  41  18.399  -2.565 -11.024
  329   1HG1  VAL  41          HG11      VAL  41  20.449  -4.790 -10.579
  330   2HG1  VAL  41          HG12      VAL  41  18.699  -4.968 -10.374
  331   3HG1  VAL  41          HG13      VAL  41  19.356  -4.625 -11.974
  332   1HG2  VAL  41          HG21      VAL  41  18.632  -3.341  -8.631
  333   2HG2  VAL  41          HG22      VAL  41  20.361  -2.951  -8.710
  334   3HG2  VAL  41          HG23      VAL  41  19.141  -1.668  -8.872
  335    HA   PRO  42           HA       PRO  42  21.158  -1.231 -15.294
  336   1HB   PRO  42          HB2       PRO  42  23.744  -1.722 -16.110
  337   2HB   PRO  42          HB3       PRO  42  23.278  -0.335 -15.090
  338   1HG   PRO  42          HG2       PRO  42  24.318  -3.035 -14.164
  339   2HG   PRO  42          HG3       PRO  42  24.945  -1.406 -13.736
  340   1HD   PRO  42          HD2       PRO  42  23.208  -2.693 -12.117
  341   2HD   PRO  42          HD3       PRO  42  23.044  -0.930 -12.401
  342    H    ASN  43           H        ASN  43  20.305  -3.772 -14.316
  343    HA   ASN  43           HA       ASN  43  20.266  -5.181 -16.842
  344   1HB   ASN  43          HB2       ASN  43  20.349  -7.384 -15.878
  345   2HB   ASN  43          HB3       ASN  43  21.792  -6.511 -15.394
  346   1HD2  ASN  43          HD22      ASN  43  22.208  -6.319 -13.157
  347   2HD2  ASN  43          HD21      ASN  43  21.099  -6.854 -11.923
  348    H    ARG  44           H        ARG  44  18.538  -3.632 -14.305
  349    HA   ARG  44           HA       ARG  44  16.061  -4.648 -15.591
  350   1HB   ARG  44          HB2       ARG  44  16.744  -4.572 -12.672
  351   2HB   ARG  44          HB3       ARG  44  15.165  -3.957 -13.124
  352   1HG   ARG  44          HG2       ARG  44  14.752  -6.095 -14.430
  353   2HG   ARG  44          HG3       ARG  44  16.276  -6.715 -13.781
  354   1HD   ARG  44          HD2       ARG  44  14.415  -7.571 -12.493
  355   2HD   ARG  44          HD3       ARG  44  15.366  -6.477 -11.475
  356    HE   ARG  44           HE       ARG  44  13.428  -4.824 -12.539
  357   1HH1  ARG  44          HH21      ARG  44  13.272  -7.847 -10.665
  358   2HH1  ARG  44          HH22      ARG  44  11.763  -7.460  -9.926
  359   1HH2  ARG  44          HH11      ARG  44  11.459  -4.316 -11.604
  360   2HH2  ARG  44          HH12      ARG  44  10.694  -5.401 -10.480
  361    H    HIS  45           H        HIS  45  17.729  -1.937 -14.067
  362    HA   HIS  45           HA       HIS  45  17.493   0.223 -14.046
  363   1HB   HIS  45          HB2       HIS  45  15.764   0.040 -16.523
  364   2HB   HIS  45          HB3       HIS  45  16.642   1.441 -15.938
  365    HD1  HIS  45           HD1      HIS  45  16.961  -0.462 -18.752
  366    HD2  HIS  45           HD2      HIS  45  19.564   0.390 -15.562
  367    HE1  HIS  45           HE1      HIS  45  19.328  -0.909 -19.615
  368    H    ASP  46           H        ASP  46  14.398  -1.511 -14.084
  369    HA   ASP  46           HA       ASP  46  12.809   0.827 -13.533
  370   1HB   ASP  46          HB2       ASP  46  10.962  -0.562 -13.508
  371   2HB   ASP  46          HB3       ASP  46  12.025  -1.285 -14.712
  372    H    ILE  47           H        ILE  47  14.944  -0.896 -11.624
  373    HA   ILE  47           HA       ILE  47  13.799   0.178  -9.139
  374    HB   ILE  47           HB       ILE  47  14.694  -1.813  -8.003
  375   1HG1  ILE  47          HG12      ILE  47  15.714  -2.502 -10.798
  376   2HG1  ILE  47          HG13      ILE  47  16.611  -2.334  -9.289
  377   1HG2  ILE  47          HG21      ILE  47  13.000  -2.757 -10.338
  378   2HG2  ILE  47          HG22      ILE  47  13.030  -3.397  -8.682
  379   3HG2  ILE  47          HG23      ILE  47  12.353  -1.793  -9.004
  380   1HD1  ILE  47          HD11      ILE  47  14.703  -4.529 -10.028
  381   2HD1  ILE  47          HD12      ILE  47  16.465  -4.613 -10.019
  382   3HD1  ILE  47          HD13      ILE  47  15.590  -4.400  -8.468
  383    H    ALA  48           H        ALA  48  15.509   0.593  -7.508
  384    HA   ALA  48           HA       ALA  48  18.310   0.602  -8.193
  385   1HB   ALA  48          HB1       ALA  48  18.662   3.041  -8.287
  386   2HB   ALA  48          HB2       ALA  48  17.545   2.585  -9.578
  387   3HB   ALA  48          HB3       ALA  48  16.924   3.328  -8.089
  388    H    PHE  49           H        PHE  49  19.499   2.073  -6.483
  389    HA   PHE  49           HA       PHE  49  17.961   2.357  -3.984
  390   1HB   PHE  49          HB2       PHE  49  20.760   1.189  -4.243
  391   2HB   PHE  49          HB3       PHE  49  20.062   1.735  -2.736
  392    HD1  PHE  49           HD1      PHE  49  18.646   0.337  -1.429
  393    HD2  PHE  49           HD2      PHE  49  19.729  -0.824  -5.443
  394    HE1  PHE  49           HE1      PHE  49  17.799  -1.958  -1.000
  395    HE2  PHE  49           HE2      PHE  49  18.840  -3.106  -5.024
  396    HZ   PHE  49           HZ       PHE  49  17.896  -3.683  -2.792
  397    H    VAL  50           H        VAL  50  18.798   4.117  -2.674
  398    HA   VAL  50           HA       VAL  50  20.816   5.910  -3.893
  399    HB   VAL  50           HB       VAL  50  18.058   6.823  -2.956
  400   1HG1  VAL  50          HG11      VAL  50  18.698   8.998  -3.934
  401   2HG1  VAL  50          HG12      VAL  50  19.813   8.531  -2.644
  402   3HG1  VAL  50          HG13      VAL  50  20.303   8.354  -4.337
  403   1HG2  VAL  50          HG21      VAL  50  17.581   7.404  -5.312
  404   2HG2  VAL  50          HG22      VAL  50  19.079   6.581  -5.810
  405   3HG2  VAL  50          HG23      VAL  50  17.754   5.666  -5.076
  406    H    GLU  51           H        GLU  51  21.912   7.155  -2.242
  407    HA   GLU  51           HA       GLU  51  21.359   6.343   0.572
  408   1HB   GLU  51          HB2       GLU  51  23.013   4.809  -0.233
  409   2HB   GLU  51          HB3       GLU  51  23.954   6.105  -0.989
  410   1HG   GLU  51          HG2       GLU  51  24.493   7.062   1.175
  411   2HG   GLU  51          HG3       GLU  51  23.473   5.893   2.012
  412    H    PHE  52           H        PHE  52  21.879   7.789   2.087
  413    HA   PHE  52           HA       PHE  52  22.556  10.570   1.303
  414   1HB   PHE  52          HB2       PHE  52  20.141   9.353   2.631
  415   2HB   PHE  52          HB3       PHE  52  20.687  10.885   3.242
  416    HD1  PHE  52           HD1      PHE  52  19.870   9.288  -0.096
  417    HD2  PHE  52           HD2      PHE  52  19.853  12.832   2.357
  418    HE1  PHE  52           HE1      PHE  52  18.787  10.556  -1.923
  419    HE2  PHE  52           HE2      PHE  52  18.721  14.082   0.547
  420    HZ   PHE  52           HZ       PHE  52  18.246  12.962  -1.621
  421    H    THR  53           H        THR  53  22.967  11.895   3.178
  422    HA   THR  53           HA       THR  53  24.952  10.864   4.978
  423    HB   THR  53           HB       THR  53  23.389  13.486   4.816
  424    HG1  THR  53           HG1      THR  53  24.634  13.151   3.019
  425   1HG2  THR  53          HG21      THR  53  25.864  12.814   6.450
  426   2HG2  THR  53          HG22      THR  53  25.267  14.466   6.132
  427   3HG2  THR  53          HG23      THR  53  24.270  13.327   7.049
  428    H    THR  54           H        THR  54  21.533  11.979   5.426
  429    HA   THR  54           HA       THR  54  21.493  10.624   8.055
  430    HB   THR  54           HB       THR  54  20.054  12.905   8.502
  431    HG1  THR  54           HG1      THR  54  21.322  14.627   7.762
  432   1HG2  THR  54          HG21      THR  54  22.026  13.741   9.721
  433   2HG2  THR  54          HG22      THR  54  21.776  12.008   9.972
  434   3HG2  THR  54          HG23      THR  54  23.052  12.562   8.868
  435    H    GLU  55           H        GLU  55  19.633   9.954   8.764
  436    HA   GLU  55           HA       GLU  55  17.808   8.828   6.952
  437   1HB   GLU  55          HB2       GLU  55  17.275   9.374   9.900
  438   2HB   GLU  55          HB3       GLU  55  16.578   8.092   8.905
  439   1HG   GLU  55          HG2       GLU  55  18.864   7.086   8.678
  440   2HG   GLU  55          HG3       GLU  55  19.500   8.322   9.757
  441    H    LEU  56           H        LEU  56  17.603  11.867   8.777
  442    HA   LEU  56           HA       LEU  56  14.840  12.406   8.167
  443   1HB   LEU  56          HB2       LEU  56  17.196  14.065   9.121
  444   2HB   LEU  56          HB3       LEU  56  15.721  14.859   8.604
  445    HG   LEU  56           HG       LEU  56  15.792  14.633  11.010
  446   1HD1  LEU  56          HD11      LEU  56  13.596  14.619   9.834
  447   2HD1  LEU  56          HD12      LEU  56  13.589  12.842   9.903
  448   3HD1  LEU  56          HD13      LEU  56  13.566  13.791  11.397
  449   1HD2  LEU  56          HD21      LEU  56  15.654  11.610  10.667
  450   2HD2  LEU  56          HD22      LEU  56  17.087  12.526  11.199
  451   3HD2  LEU  56          HD23      LEU  56  15.619  12.523  12.186
  452    H    GLN  57           H        GLN  57  17.901  12.964   6.406
  453    HA   GLN  57           HA       GLN  57  16.580  14.842   4.579
  454   1HB   GLN  57          HB2       GLN  57  19.390  13.669   4.543
  455   2HB   GLN  57          HB3       GLN  57  18.746  14.888   3.424
  456   1HG   GLN  57          HG2       GLN  57  18.145  16.261   5.551
  457   2HG   GLN  57          HG3       GLN  57  19.220  15.160   6.414
  458   1HE2  GLN  57          HE22      GLN  57  21.545  15.152   5.768
  459   2HE2  GLN  57          HE21      GLN  57  22.207  16.546   4.915
  460    H    SER  58           H        SER  58  17.629  11.353   4.489
  461    HA   SER  58           HA       SER  58  16.741  10.951   1.780
  462   1HB   SER  58          HB2       SER  58  16.414   8.551   2.649
  463   2HB   SER  58          HB3       SER  58  18.049   9.211   2.689
  464    HG   SER  58           HG       SER  58  16.937   8.149   4.676
  465    H    ASN  59           H        ASN  59  15.086  10.783   4.993
  466    HA   ASN  59           HA       ASN  59  12.539  10.066   4.043
  467   1HB   ASN  59          HB2       ASN  59  12.897  10.076   6.398
  468   2HB   ASN  59          HB3       ASN  59  13.411  11.752   6.402
  469   1HD2  ASN  59          HD22      ASN  59  11.893  13.286   6.940
  470   2HD2  ASN  59          HD21      ASN  59  10.170  13.012   6.922
  471    H    ALA  60           H        ALA  60  13.819  13.409   4.451
  472    HA   ALA  60           HA       ALA  60  11.503  14.643   3.379
  473   1HB   ALA  60          HB1       ALA  60  13.226  15.871   4.611
  474   2HB   ALA  60          HB2       ALA  60  14.381  15.626   3.273
  475   3HB   ALA  60          HB3       ALA  60  12.918  16.609   3.027
  476    H    ALA  61           H        ALA  61  14.436  13.481   1.699
  477    HA   ALA  61           HA       ALA  61  13.692  14.336  -0.908
  478   1HB   ALA  61          HB1       ALA  61  15.364  11.908  -0.118
  479   2HB   ALA  61          HB2       ALA  61  15.318  12.718  -1.695
  480   3HB   ALA  61          HB3       ALA  61  15.971  13.573  -0.280
  481    H    LYS  62           H        LYS  62  12.961  11.288   0.861
  482    HA   LYS  62           HA       LYS  62  11.589   9.961  -1.235
  483   1HB   LYS  62          HB2       LYS  62  12.238   8.737   0.740
  484   2HB   LYS  62          HB3       LYS  62  11.352   9.830   1.793
  485   1HG   LYS  62          HG2       LYS  62   9.197   9.071   0.760
  486   2HG   LYS  62          HG3       LYS  62  10.113   7.876  -0.171
  487   1HD   LYS  62          HD2       LYS  62  10.913   6.846   1.916
  488   2HD   LYS  62          HD3       LYS  62  10.097   8.093   2.872
  489   1HE   LYS  62          HE2       LYS  62   8.671   6.141   1.006
  490   2HE   LYS  62          HE3       LYS  62   8.874   5.914   2.752
  491   1HZ   LYS  62          HZ1       LYS  62   6.841   6.829   2.643
  492   2HZ   LYS  62          HZ2       LYS  62   7.707   8.246   2.842
  493   3HZ   LYS  62          HZ3       LYS  62   7.158   7.841   1.375
  494    H    GLU  63           H        GLU  63  10.262  12.052   1.426
  495    HA   GLU  63           HA       GLU  63   7.616  11.896   0.428
  496   1HB   GLU  63          HB2       GLU  63   8.892  14.138   2.053
  497   2HB   GLU  63          HB3       GLU  63   7.162  13.884   1.837
  498   1HG   GLU  63          HG2       GLU  63   9.106  12.104   3.344
  499   2HG   GLU  63          HG3       GLU  63   7.823  13.074   4.010
  500    H    ALA  64           H        ALA  64  10.280  14.040  -0.479
  501    HA   ALA  64           HA       ALA  64   8.727  15.862  -2.051
  502   1HB   ALA  64          HB1       ALA  64  11.678  15.132  -2.197
  503   2HB   ALA  64          HB2       ALA  64  10.922  16.569  -2.910
  504   3HB   ALA  64          HB3       ALA  64  10.967  16.380  -1.145
  505    H    LEU  65           H        LEU  65  10.520  12.835  -2.933
  506    HA   LEU  65           HA       LEU  65   9.700  13.290  -5.765
  507   1HB   LEU  65          HB2       LEU  65  12.002  11.702  -4.594
  508   2HB   LEU  65          HB3       LEU  65  11.581  11.753  -6.302
  509    HG   LEU  65           HG       LEU  65  12.537  14.100  -4.635
  510   1HD1  LEU  65          HD11      LEU  65  14.507  13.980  -6.145
  511   2HD1  LEU  65          HD12      LEU  65  14.286  12.476  -5.235
  512   3HD1  LEU  65          HD13      LEU  65  13.809  12.553  -6.939
  513   1HD2  LEU  65          HD21      LEU  65  11.761  14.007  -7.587
  514   2HD2  LEU  65          HD22      LEU  65  10.978  14.974  -6.315
  515   3HD2  LEU  65          HD23      LEU  65  12.629  15.343  -6.801
  516    H    GLN  66           H        GLN  66   8.660  11.272  -3.223
  517    HA   GLN  66           HA       GLN  66   8.042   8.942  -4.787
  518   1HB   GLN  66          HB2       GLN  66   6.726  10.250  -2.382
  519   2HB   GLN  66          HB3       GLN  66   5.897   8.959  -3.256
  520   1HG   GLN  66          HG2       GLN  66   7.885   7.479  -2.965
  521   2HG   GLN  66          HG3       GLN  66   8.628   8.703  -1.944
  522   1HE2  GLN  66          HE22      GLN  66   7.378   5.815  -1.484
  523   2HE2  GLN  66          HE21      GLN  66   6.258   6.057  -0.176
  524    H    GLY  67           H        GLY  67   6.762   8.688  -6.495
  525   1HA   GLY  67          HA2       GLY  67   4.955   8.952  -7.896
  526   2HA   GLY  67          HA3       GLY  67   4.457  10.417  -7.046
  527    H    PHE  68           H        PHE  68   7.792  10.733  -7.776
  528    HA   PHE  68           HA       PHE  68   7.213  12.870  -9.620
  529   1HB   PHE  68          HB2       PHE  68   9.052  12.950  -7.988
  530   2HB   PHE  68          HB3       PHE  68   9.831  11.569  -8.755
  531    HD1  PHE  68           HD1      PHE  68  11.057  11.808 -10.859
  532    HD2  PHE  68           HD2      PHE  68   9.036  15.177  -9.069
  533    HE1  PHE  68           HE1      PHE  68  12.267  13.348 -12.378
  534    HE2  PHE  68           HE2      PHE  68  10.266  16.713 -10.581
  535    HZ   PHE  68           HZ       PHE  68  11.881  15.801 -12.241
  536    H    LYS  69           H        LYS  69   6.920  12.665 -11.797
  537    HA   LYS  69           HA       LYS  69   7.467  10.204 -13.246
  538   1HB   LYS  69          HB2       LYS  69   6.460  12.933 -13.977
  539   2HB   LYS  69          HB3       LYS  69   7.391  12.098 -15.219
  540   1HG   LYS  69          HG2       LYS  69   5.109  11.585 -15.578
  541   2HG   LYS  69          HG3       LYS  69   5.972  10.134 -15.081
  542   1HD   LYS  69          HD2       LYS  69   5.073  10.503 -12.727
  543   2HD   LYS  69          HD3       LYS  69   4.082  11.813 -13.363
  544   1HE   LYS  69          HE2       LYS  69   4.017   8.903 -14.310
  545   2HE   LYS  69          HE3       LYS  69   2.908   9.601 -13.120
  546   1HZ   LYS  69          HZ1       LYS  69   1.820   9.635 -15.192
  547   2HZ   LYS  69          HZ2       LYS  69   2.210  11.188 -14.901
  548   3HZ   LYS  69          HZ3       LYS  69   3.073  10.294 -15.990
  549    H    ILE  70           H        ILE  70   9.464   9.466 -13.400
  550    HA   ILE  70           HA       ILE  70  11.808  11.233 -13.787
  551    HB   ILE  70           HB       ILE  70  11.455   8.235 -14.082
  552   1HG1  ILE  70          HG12      ILE  70  12.851   9.768 -11.846
  553   2HG1  ILE  70          HG13      ILE  70  11.177   9.232 -11.741
  554   1HG2  ILE  70          HG21      ILE  70  13.978   9.959 -14.009
  555   2HG2  ILE  70          HG22      ILE  70  13.946   8.183 -14.101
  556   3HG2  ILE  70          HG23      ILE  70  13.330   9.140 -15.445
  557   1HD1  ILE  70          HD11      ILE  70  11.852   6.887 -12.041
  558   2HD1  ILE  70          HD12      ILE  70  13.565   7.377 -12.091
  559   3HD1  ILE  70          HD13      ILE  70  12.610   7.633 -10.631
  560    H    THR  71           H        THR  71   9.593   9.091 -15.645
  561    HA   THR  71           HA       THR  71   9.956  10.726 -18.042
  562    HB   THR  71           HB       THR  71  10.003   7.655 -17.953
  563    HG1  THR  71           HG1      THR  71  12.070   9.531 -18.375
  564   1HG2  THR  71          HG21      THR  71  10.374   9.479 -20.354
  565   2HG2  THR  71          HG22      THR  71  10.709   7.735 -20.321
  566   3HG2  THR  71          HG23      THR  71   9.058   8.302 -20.077
  567    HA   PRO  72           HA       PRO  72   5.781  11.318 -17.725
  568   1HB   PRO  72          HB2       PRO  72   5.372  10.143 -20.484
  569   2HB   PRO  72          HB3       PRO  72   4.589  11.587 -19.754
  570   1HG   PRO  72          HG2       PRO  72   6.755  11.929 -21.315
  571   2HG   PRO  72          HG3       PRO  72   6.663  12.798 -19.747
  572   1HD   PRO  72          HD2       PRO  72   8.192  10.311 -20.446
  573   2HD   PRO  72          HD3       PRO  72   8.694  11.695 -19.432
  574    H    THR  73           H        THR  73   6.400   7.897 -18.359
  575    HA   THR  73           HA       THR  73   3.800   7.297 -17.051
  576    HB   THR  73           HB       THR  73   4.987   5.398 -19.079
  577    HG1  THR  73           HG1      THR  73   4.832   7.318 -20.213
  578   1HG2  THR  73          HG21      THR  73   3.022   4.640 -17.758
  579   2HG2  THR  73          HG22      THR  73   2.106   6.064 -18.290
  580   3HG2  THR  73          HG23      THR  73   2.605   4.824 -19.464
  581    H    HIS  74           H        HIS  74   6.616   7.677 -16.037
  582    HA   HIS  74           HA       HIS  74   6.800   5.159 -14.483
  583   1HB   HIS  74          HB2       HIS  74   9.077   6.565 -15.920
  584   2HB   HIS  74          HB3       HIS  74   9.282   5.370 -14.637
  585    HD1  HIS  74           HD1      HIS  74   8.752   2.799 -15.258
  586    HD2  HIS  74           HD2      HIS  74   8.336   5.623 -18.354
  587    HE1  HIS  74           HE1      HIS  74   8.500   1.469 -17.411
  588    H    ALA  75           H        ALA  75   5.531   6.468 -13.095
  589    HA   ALA  75           HA       ALA  75   6.672   8.746 -11.682
  590   1HB   ALA  75          HB1       ALA  75   4.225   8.360 -11.711
  591   2HB   ALA  75          HB2       ALA  75   4.451   6.784 -10.924
  592   3HB   ALA  75          HB3       ALA  75   4.859   8.277 -10.063
  593    H    MET  76           H        MET  76   8.501   8.471 -10.569
  594    HA   MET  76           HA       MET  76   9.766   6.195  -9.631
  595   1HB   MET  76          HB2       MET  76  10.611   8.573  -9.733
  596   2HB   MET  76          HB3       MET  76   9.619   8.962  -8.337
  597   1HG   MET  76          HG2       MET  76  10.893   7.212  -7.039
  598   2HG   MET  76          HG3       MET  76  11.960   7.025  -8.429
  599   1HE   MET  76          HE1       MET  76  13.623   9.083  -9.307
  600   2HE   MET  76          HE2       MET  76  12.213  10.164  -9.433
  601   3HE   MET  76          HE3       MET  76  13.646  10.670  -8.518
  602    H    LYS  77           H        LYS  77   9.406   4.778  -7.966
  603    HA   LYS  77           HA       LYS  77   7.638   5.652  -5.720
  604   1HB   LYS  77          HB2       LYS  77   7.998   2.906  -6.969
  605   2HB   LYS  77          HB3       LYS  77   7.321   3.170  -5.352
  606   1HG   LYS  77          HG2       LYS  77   5.544   4.624  -6.398
  607   2HG   LYS  77          HG3       LYS  77   6.212   4.226  -7.985
  608   1HD   LYS  77          HD2       LYS  77   4.313   2.826  -7.627
  609   2HD   LYS  77          HD3       LYS  77   5.754   1.801  -7.537
  610   1HE   LYS  77          HE2       LYS  77   5.636   1.833  -5.057
  611   2HE   LYS  77          HE3       LYS  77   4.258   2.936  -5.124
  612   1HZ   LYS  77          HZ1       LYS  77   2.995   1.186  -6.237
  613   2HZ   LYS  77          HZ2       LYS  77   4.269   0.161  -6.170
  614   3HZ   LYS  77          HZ3       LYS  77   3.543   0.660  -4.799
  615    H    ILE  78           H        ILE  78   8.480   5.133  -3.676
  616    HA   ILE  78           HA       ILE  78  11.381   4.536  -3.529
  617    HB   ILE  78           HB       ILE  78  10.020   6.926  -2.240
  618   1HG1  ILE  78          HG12      ILE  78  11.910   7.019  -4.618
  619   2HG1  ILE  78          HG13      ILE  78  10.181   7.359  -4.664
  620   1HG2  ILE  78          HG21      ILE  78  12.972   6.245  -2.353
  621   2HG2  ILE  78          HG22      ILE  78  12.245   7.630  -1.529
  622   3HG2  ILE  78          HG23      ILE  78  11.925   6.017  -0.941
  623   1HD1  ILE  78          HD11      ILE  78  12.308   9.012  -3.279
  624   2HD1  ILE  78          HD12      ILE  78  11.308   9.435  -4.669
  625   3HD1  ILE  78          HD13      ILE  78  10.557   9.259  -3.083
  626    H    THR  79           H        THR  79  11.846   3.482  -1.639
  627    HA   THR  79           HA       THR  79   9.880   3.281   0.558
  628    HB   THR  79           HB       THR  79  11.540   0.913  -0.406
  629    HG1  THR  79           HG1      THR  79  10.321   1.328  -2.177
  630   1HG2  THR  79          HG21      THR  79   9.737  -0.398   0.659
  631   2HG2  THR  79          HG22      THR  79  10.485   0.720   1.802
  632   3HG2  THR  79          HG23      THR  79   8.893   1.105   1.102
  633    H    PHE  80           H        PHE  80  11.124   2.915   2.636
  634    HA   PHE  80           HA       PHE  80  13.903   3.853   2.532
  635   1HB   PHE  80          HB2       PHE  80  12.200   2.701   4.774
  636   2HB   PHE  80          HB3       PHE  80  13.877   3.189   4.963
  637    HD1  PHE  80           HD1      PHE  80  14.525   5.624   4.303
  638    HD2  PHE  80           HD2      PHE  80  10.476   4.341   5.046
  639    HE1  PHE  80           HE1      PHE  80  13.845   7.980   4.669
  640    HE2  PHE  80           HE2      PHE  80   9.806   6.687   5.456
  641    HZ   PHE  80           HZ       PHE  80  11.468   8.506   5.257
  642    H    ALA  81           H        ALA  81  15.684   2.547   2.414
  643    HA   ALA  81           HA       ALA  81  15.327  -0.359   1.957
  644   1HB   ALA  81          HB1       ALA  81  16.991   0.894   0.588
  645   2HB   ALA  81          HB2       ALA  81  17.848   1.349   2.078
  646   3HB   ALA  81          HB3       ALA  81  17.760  -0.349   1.583
  647    H    LYS  82           H        LYS  82  17.009  -1.705   3.356
  648    HA   LYS  82           HA       LYS  82  16.749  -0.851   6.219
  649   1HB   LYS  82          HB2       LYS  82  16.177  -3.588   5.009
  650   2HB   LYS  82          HB3       LYS  82  16.243  -3.219   6.737
  651   1HG   LYS  82          HG2       LYS  82  14.358  -1.624   6.484
  652   2HG   LYS  82          HG3       LYS  82  14.307  -1.940   4.748
  653   1HD   LYS  82          HD2       LYS  82  12.545  -3.199   5.708
  654   2HD   LYS  82          HD3       LYS  82  13.797  -4.347   5.217
  655   1HE   LYS  82          HE2       LYS  82  14.617  -4.412   7.589
  656   2HE   LYS  82          HE3       LYS  82  13.324  -3.293   8.045
  657   1HZ   LYS  82          HZ1       LYS  82  12.726  -5.582   8.507
  658   2HZ   LYS  82          HZ2       LYS  82  11.717  -4.986   7.377
  659   3HZ   LYS  82          HZ3       LYS  82  12.914  -6.016   6.950
  660    H    LYS  83           H        LYS  83  18.790  -0.461   6.849
  661    HA   LYS  83           HA       LYS  83  21.139  -1.729   5.739
  662   1HB   LYS  83          HB2       LYS  83  20.710  -0.208   8.352
  663   2HB   LYS  83          HB3       LYS  83  22.269  -0.814   7.782
  664   1HG   LYS  83          HG2       LYS  83  21.963   0.526   5.667
  665   2HG   LYS  83          HG3       LYS  83  20.542   1.278   6.393
  666   1HD   LYS  83          HD2       LYS  83  23.394   1.398   7.472
  667   2HD   LYS  83          HD3       LYS  83  22.581   2.683   6.571
  668   1HE   LYS  83          HE2       LYS  83  20.909   2.936   8.364
  669   2HE   LYS  83          HE3       LYS  83  21.636   1.599   9.260
  670   1HZ   LYS  83          HZ1       LYS  83  22.997   4.179   8.672
  671   2HZ   LYS  83          HZ2       LYS  83  22.379   3.720  10.111
  672   3HZ   LYS  83          HZ3       LYS  83  23.653   2.920   9.492
  Start of MODEL    3
    1   1H    ALA   1          H1        ALA   1   7.132  -7.999  -2.927
    2   2H    ALA   1          H2        ALA   1   6.554  -8.435  -1.463
    3   3H    ALA   1          H3        ALA   1   5.562  -8.451  -2.773
    4    HA   ALA   1           HA       ALA   1   5.717  -6.085  -3.003
    5   1HB   ALA   1          HB1       ALA   1   4.481  -5.402  -0.980
    6   2HB   ALA   1          HB2       ALA   1   3.869  -6.941  -1.609
    7   3HB   ALA   1          HB3       ALA   1   4.920  -6.922  -0.174
    8    H    GLN   2           H        GLN   2   6.971  -4.300  -2.766
    9    HA   GLN   2           HA       GLN   2   9.519  -4.419  -1.534
   10   1HB   GLN   2          HB2       GLN   2   9.665  -2.035  -2.009
   11   2HB   GLN   2          HB3       GLN   2   9.111  -2.989  -3.382
   12   1HG   GLN   2          HG2       GLN   2   6.721  -2.242  -2.802
   13   2HG   GLN   2          HG3       GLN   2   7.440  -1.120  -1.655
   14   1HE2  GLN   2          HE22      GLN   2   9.148   0.495  -2.661
   15   2HE2  GLN   2          HE21      GLN   2   8.912   0.903  -4.348
   16    H    THR   3           H        THR   3  10.240  -4.089   0.477
   17    HA   THR   3           HA       THR   3   8.348  -3.793   2.616
   18    HB   THR   3           HB       THR   3  10.658  -3.800   3.916
   19    HG1  THR   3           HG1      THR   3  12.015  -3.341   2.178
   20   1HG2  THR   3          HG21      THR   3  10.856  -6.246   3.618
   21   2HG2  THR   3          HG22      THR   3   9.162  -5.754   3.771
   22   3HG2  THR   3          HG23      THR   3   9.821  -6.166   2.174
   23    H    GLU   4           H        GLU   4   8.627  -2.206   4.389
   24    HA   GLU   4           HA       GLU   4   9.581   0.455   3.570
   25   1HB   GLU   4          HB2       GLU   4   7.204   0.232   2.817
   26   2HB   GLU   4          HB3       GLU   4   6.737  -0.263   4.439
   27   1HG   GLU   4          HG2       GLU   4   6.112   2.029   4.065
   28   2HG   GLU   4          HG3       GLU   4   7.350   1.972   5.312
   29    H    GLN   5           H        GLN   5   9.754   1.841   5.534
   30    HA   GLN   5           HA       GLN   5   9.887   0.411   8.130
   31   1HB   GLN   5          HB2       GLN   5  12.255   1.584   6.582
   32   2HB   GLN   5          HB3       GLN   5  12.334   1.247   8.291
   33   1HG   GLN   5          HG2       GLN   5  11.847  -0.871   6.162
   34   2HG   GLN   5          HG3       GLN   5  13.393  -0.466   6.881
   35   1HE2  GLN   5          HE22      GLN   5  10.206  -1.917   7.547
   36   2HE2  GLN   5          HE21      GLN   5  10.685  -2.715   9.036
   37    HA   PRO   6           HA       PRO   6   9.697   4.817   9.543
   38   1HB   PRO   6          HB2       PRO   6  11.528   4.815  11.612
   39   2HB   PRO   6          HB3       PRO   6   9.847   4.220  11.768
   40   1HG   PRO   6          HG2       PRO   6  12.360   2.605  11.241
   41   2HG   PRO   6          HG3       PRO   6  11.072   2.285  12.448
   42   1HD   PRO   6          HD2       PRO   6  11.102   1.009  10.065
   43   2HD   PRO   6          HD3       PRO   6   9.563   1.559  10.774
   44    HA   PRO   7           HA       PRO   7  12.850   6.715   7.243
   45   1HB   PRO   7          HB2       PRO   7  13.718   8.301   9.669
   46   2HB   PRO   7          HB3       PRO   7  13.479   8.871   7.985
   47   1HG   PRO   7          HG2       PRO   7  11.529   9.250   9.820
   48   2HG   PRO   7          HG3       PRO   7  11.104   8.676   8.175
   49   1HD   PRO   7          HD2       PRO   7  11.338   7.073  10.725
   50   2HD   PRO   7          HD3       PRO   7  10.127   6.954   9.414
   51    H    ASN   8           H        ASN   8  14.815   6.222   6.486
   52    HA   ASN   8           HA       ASN   8  17.060   5.465   8.222
   53   1HB   ASN   8          HB2       ASN   8  16.033   3.255   7.858
   54   2HB   ASN   8          HB3       ASN   8  15.802   3.605   6.148
   55   1HD2  ASN   8          HD22      ASN   8  17.163   2.238   5.088
   56   2HD2  ASN   8          HD21      ASN   8  18.891   2.096   5.396
   57    H    GLN   9           H        GLN   9  19.024   5.851   7.115
   58    HA   GLN   9           HA       GLN   9  18.884   7.880   5.116
   59   1HB   GLN   9          HB2       GLN   9  21.223   8.112   5.414
   60   2HB   GLN   9          HB3       GLN   9  20.502   7.838   6.989
   61   1HG   GLN   9          HG2       GLN   9  21.199   5.442   6.893
   62   2HG   GLN   9          HG3       GLN   9  21.958   5.732   5.321
   63   1HE2  GLN   9          HE22      GLN   9  23.545   7.792   5.375
   64   2HE2  GLN   9          HE21      GLN   9  24.637   7.787   6.740
   65    H    ILE  10           H        ILE  10  18.160   4.914   4.293
   66    HA   ILE  10           HA       ILE  10  19.477   5.093   1.687
   67    HB   ILE  10           HB       ILE  10  19.297   2.422   3.137
   68   1HG1  ILE  10          HG12      ILE  10  21.737   4.201   2.742
   69   2HG1  ILE  10          HG13      ILE  10  21.018   3.698   4.275
   70   1HG2  ILE  10          HG21      ILE  10  19.143   2.374   0.618
   71   2HG2  ILE  10          HG22      ILE  10  20.721   3.181   0.544
   72   3HG2  ILE  10          HG23      ILE  10  20.558   1.549   1.230
   73   1HD1  ILE  10          HD11      ILE  10  22.538   1.944   2.325
   74   2HD1  ILE  10          HD12      ILE  10  22.977   2.397   3.976
   75   3HD1  ILE  10          HD13      ILE  10  21.598   1.311   3.699
   76    H    LEU  11           H        LEU  11  18.070   4.481   0.090
   77    HA   LEU  11           HA       LEU  11  15.241   3.899   0.854
   78   1HB   LEU  11          HB2       LEU  11  16.266   5.712  -1.367
   79   2HB   LEU  11          HB3       LEU  11  14.583   5.415  -0.954
   80    HG   LEU  11           HG       LEU  11  16.594   6.891   0.806
   81   1HD1  LEU  11          HD11      LEU  11  16.003   8.170  -1.205
   82   2HD1  LEU  11          HD12      LEU  11  14.277   7.951  -0.858
   83   3HD1  LEU  11          HD13      LEU  11  15.295   8.900   0.243
   84   1HD2  LEU  11          HD21      LEU  11  14.945   5.786   2.178
   85   2HD2  LEU  11          HD22      LEU  11  14.551   7.507   2.122
   86   3HD2  LEU  11          HD23      LEU  11  13.609   6.356   1.148
   87    H    PHE  12           H        PHE  12  14.096   2.726  -0.739
   88    HA   PHE  12           HA       PHE  12  15.644   1.489  -2.960
   89   1HB   PHE  12          HB2       PHE  12  15.302  -0.266  -1.300
   90   2HB   PHE  12          HB3       PHE  12  13.610   0.191  -1.099
   91    HD1  PHE  12           HD1      PHE  12  11.951  -0.943  -2.370
   92    HD2  PHE  12           HD2      PHE  12  16.014  -0.874  -3.804
   93    HE1  PHE  12           HE1      PHE  12  11.369  -2.588  -4.123
   94    HE2  PHE  12           HE2      PHE  12  15.420  -2.483  -5.583
   95    HZ   PHE  12           HZ       PHE  12  13.092  -3.357  -5.750
   96    H    LEU  13           H        LEU  13  14.504   1.620  -4.891
   97    HA   LEU  13           HA       LEU  13  11.911   3.087  -4.820
   98   1HB   LEU  13          HB2       LEU  13  14.421   3.730  -6.418
   99   2HB   LEU  13          HB3       LEU  13  12.810   4.287  -6.838
  100    HG   LEU  13           HG       LEU  13  12.619   5.562  -4.737
  101   1HD1  LEU  13          HD11      LEU  13  14.070   4.598  -3.161
  102   2HD1  LEU  13          HD12      LEU  13  15.446   4.533  -4.285
  103   3HD1  LEU  13          HD13      LEU  13  14.894   6.085  -3.604
  104   1HD2  LEU  13          HD21      LEU  13  14.194   7.309  -5.472
  105   2HD2  LEU  13          HD22      LEU  13  15.072   6.125  -6.454
  106   3HD2  LEU  13          HD23      LEU  13  13.395   6.565  -6.858
  107    H    THR  14           H        THR  14  10.668   2.801  -6.649
  108    HA   THR  14           HA       THR  14  11.317   0.671  -8.596
  109    HB   THR  14           HB       THR  14   9.091  -0.377  -8.034
  110    HG1  THR  14           HG1      THR  14   8.197   0.132  -6.045
  111   1HG2  THR  14          HG21      THR  14  10.894  -0.366  -5.584
  112   2HG2  THR  14          HG22      THR  14   9.817  -1.658  -6.152
  113   3HG2  THR  14          HG23      THR  14  11.282  -1.264  -7.059
  114    H    ASN  15           H        ASN  15   9.269   0.463 -10.078
  115    HA   ASN  15           HA       ASN  15   8.171   1.298 -11.788
  116   1HB   ASN  15          HB2       ASN  15   6.548   1.823  -9.916
  117   2HB   ASN  15          HB3       ASN  15   7.148   3.483  -9.948
  118   1HD2  ASN  15          HD22      ASN  15   5.754   4.802 -11.119
  119   2HD2  ASN  15          HD21      ASN  15   4.796   4.270 -12.494
  120    H    LEU  16           H        LEU  16  10.871   2.168 -11.491
  121    HA   LEU  16           HA       LEU  16  11.078   4.918 -12.478
  122   1HB   LEU  16          HB2       LEU  16  13.187   2.744 -12.568
  123   2HB   LEU  16          HB3       LEU  16  13.439   4.472 -12.571
  124    HG   LEU  16           HG       LEU  16  12.449   2.869 -10.181
  125   1HD1  LEU  16          HD11      LEU  16  14.799   2.432 -10.854
  126   2HD1  LEU  16          HD12      LEU  16  15.148   4.154 -10.721
  127   3HD1  LEU  16          HD13      LEU  16  14.645   3.237  -9.276
  128   1HD2  LEU  16          HD21      LEU  16  13.362   5.759 -10.304
  129   2HD2  LEU  16          HD22      LEU  16  11.650   5.251 -10.224
  130   3HD2  LEU  16          HD23      LEU  16  12.753   4.889  -8.898
  131    HA   PRO  17           HA       PRO  17  10.913   4.086 -16.922
  132   1HB   PRO  17          HB2       PRO  17  13.817   4.864 -17.017
  133   2HB   PRO  17          HB3       PRO  17  12.486   5.317 -18.129
  134   1HG   PRO  17          HG2       PRO  17  13.328   7.020 -16.214
  135   2HG   PRO  17          HG3       PRO  17  11.574   6.828 -16.522
  136   1HD   PRO  17          HD2       PRO  17  13.216   5.693 -14.290
  137   2HD   PRO  17          HD3       PRO  17  11.538   6.293 -14.262
  138    H    GLU  18           H        GLU  18  11.696   2.548 -18.559
  139    HA   GLU  18           HA       GLU  18  13.099   0.191 -17.502
  140   1HB   GLU  18          HB2       GLU  18  12.038   0.880 -20.281
  141   2HB   GLU  18          HB3       GLU  18  12.744  -0.677 -19.820
  142   1HG   GLU  18          HG2       GLU  18  10.974  -0.956 -18.084
  143   2HG   GLU  18          HG3       GLU  18  10.214   0.539 -18.637
  144    H    GLU  19           H        GLU  19  14.278   3.103 -18.131
  145    HA   GLU  19           HA       GLU  19  16.708   2.203 -19.452
  146   1HB   GLU  19          HB2       GLU  19  15.140   4.745 -20.067
  147   2HB   GLU  19          HB3       GLU  19  16.640   4.274 -20.852
  148   1HG   GLU  19          HG2       GLU  19  13.950   2.864 -21.091
  149   2HG   GLU  19          HG3       GLU  19  14.693   3.915 -22.281
  150    H    THR  20           H        THR  20  15.686   3.245 -16.564
  151    HA   THR  20           HA       THR  20  16.934   5.703 -16.040
  152    HB   THR  20           HB       THR  20  16.853   3.587 -13.909
  153    HG1  THR  20           HG1      THR  20  14.920   3.074 -14.350
  154   1HG2  THR  20          HG21      THR  20  15.838   5.433 -12.620
  155   2HG2  THR  20          HG22      THR  20  17.357   5.966 -13.352
  156   3HG2  THR  20          HG23      THR  20  15.804   6.454 -14.071
  157    H    ASN  21           H        ASN  21  18.951   6.237 -15.161
  158    HA   ASN  21           HA       ASN  21  21.021   4.118 -15.135
  159   1HB   ASN  21          HB2       ASN  21  21.240   5.459 -17.227
  160   2HB   ASN  21          HB3       ASN  21  21.313   6.940 -16.270
  161   1HD2  ASN  21          HD22      ASN  21  23.112   4.025 -17.238
  162   2HD2  ASN  21          HD21      ASN  21  24.632   4.534 -16.553
  163    H    GLU  22           H        GLU  22  22.723   4.606 -13.583
  164    HA   GLU  22           HA       GLU  22  21.868   5.474 -11.071
  165   1HB   GLU  22          HB2       GLU  22  23.819   3.985 -11.890
  166   2HB   GLU  22          HB3       GLU  22  24.747   5.473 -12.056
  167   1HG   GLU  22          HG2       GLU  22  24.606   5.909  -9.707
  168   2HG   GLU  22          HG3       GLU  22  23.319   4.712  -9.487
  169    H    MET  23           H        MET  23  23.523   7.253 -13.612
  170    HA   MET  23           HA       MET  23  24.047   9.658 -12.167
  171   1HB   MET  23          HB2       MET  23  23.650   9.187 -15.145
  172   2HB   MET  23          HB3       MET  23  24.268  10.683 -14.435
  173   1HG   MET  23          HG2       MET  23  26.146   9.432 -13.407
  174   2HG   MET  23          HG3       MET  23  25.602   7.956 -14.199
  175   1HE   MET  23          HE1       MET  23  26.367   8.577 -17.964
  176   2HE   MET  23          HE2       MET  23  25.880   7.401 -16.725
  177   3HE   MET  23          HE3       MET  23  24.806   8.757 -17.138
  178    H    MET  24           H        MET  24  21.117   8.548 -13.845
  179    HA   MET  24           HA       MET  24  19.873  11.134 -14.123
  180   1HB   MET  24          HB2       MET  24  18.634   8.331 -13.977
  181   2HB   MET  24          HB3       MET  24  17.719   9.809 -14.249
  182   1HG   MET  24          HG2       MET  24  18.879  10.278 -16.278
  183   2HG   MET  24          HG3       MET  24  20.049   8.987 -15.982
  184   1HE   MET  24          HE1       MET  24  16.052   8.790 -15.567
  185   2HE   MET  24          HE2       MET  24  16.334   9.856 -16.964
  186   3HE   MET  24          HE3       MET  24  15.623   8.244 -17.200
  187    H    LEU  25           H        LEU  25  19.471   8.520 -11.712
  188    HA   LEU  25           HA       LEU  25  17.761  10.202 -10.083
  189   1HB   LEU  25          HB2       LEU  25  19.293   7.726  -9.244
  190   2HB   LEU  25          HB3       LEU  25  18.052   8.548  -8.313
  191    HG   LEU  25           HG       LEU  25  17.796   6.806 -10.762
  192   1HD1  LEU  25          HD11      LEU  25  16.036   5.779  -9.344
  193   2HD1  LEU  25          HD12      LEU  25  17.581   5.878  -8.477
  194   3HD1  LEU  25          HD13      LEU  25  16.292   7.042  -8.122
  195   1HD2  LEU  25          HD21      LEU  25  15.752   8.901  -9.921
  196   2HD2  LEU  25          HD22      LEU  25  16.533   8.718 -11.519
  197   3HD2  LEU  25          HD23      LEU  25  15.394   7.497 -10.957
  198    H    SER  26           H        SER  26  21.309   9.583 -10.189
  199    HA   SER  26           HA       SER  26  21.907  10.893  -7.770
  200   1HB   SER  26          HB2       SER  26  23.553  10.880 -10.333
  201   2HB   SER  26          HB3       SER  26  24.135  11.323  -8.722
  202    HG   SER  26           HG       SER  26  23.185   8.790  -9.608
  203    H    MET  27           H        MET  27  21.623  12.378 -11.090
  204    HA   MET  27           HA       MET  27  22.022  15.003 -10.023
  205   1HB   MET  27          HB2       MET  27  21.336  15.885 -12.129
  206   2HB   MET  27          HB3       MET  27  22.429  14.527 -12.375
  207   1HG   MET  27          HG2       MET  27  20.569  13.085 -12.980
  208   2HG   MET  27          HG3       MET  27  19.398  14.359 -12.649
  209   1HE   MET  27          HE1       MET  27  20.512  16.984 -13.997
  210   2HE   MET  27          HE2       MET  27  19.813  16.808 -15.618
  211   3HE   MET  27          HE3       MET  27  18.863  16.344 -14.190
  212    H    LEU  28           H        LEU  28  19.047  13.019 -10.349
  213    HA   LEU  28           HA       LEU  28  17.282  15.215  -9.772
  214   1HB   LEU  28          HB2       LEU  28  16.960  12.218  -9.402
  215   2HB   LEU  28          HB3       LEU  28  15.693  13.367  -8.996
  216    HG   LEU  28           HG       LEU  28  16.901  13.083 -11.770
  217   1HD1  LEU  28          HD11      LEU  28  14.234  12.085 -10.680
  218   2HD1  LEU  28          HD12      LEU  28  14.785  11.971 -12.368
  219   3HD1  LEU  28          HD13      LEU  28  15.633  11.074 -11.105
  220   1HD2  LEU  28          HD21      LEU  28  14.894  14.394 -12.487
  221   2HD2  LEU  28          HD22      LEU  28  14.503  14.680 -10.775
  222   3HD2  LEU  28          HD23      LEU  28  15.997  15.329 -11.488
  223    H    PHE  29           H        PHE  29  18.611  12.695  -7.568
  224    HA   PHE  29           HA       PHE  29  17.342  14.032  -5.311
  225   1HB   PHE  29          HB2       PHE  29  19.198  11.647  -5.569
  226   2HB   PHE  29          HB3       PHE  29  18.729  12.323  -4.011
  227    HD1  PHE  29           HD1      PHE  29  16.722  11.809  -2.954
  228    HD2  PHE  29           HD2      PHE  29  17.235  10.804  -7.112
  229    HE1  PHE  29           HE1      PHE  29  14.595  10.538  -2.907
  230    HE2  PHE  29           HE2      PHE  29  15.116   9.527  -7.061
  231    HZ   PHE  29           HZ       PHE  29  13.784   9.420  -4.973
  232    H    ASN  30           H        ASN  30  20.598  14.301  -6.740
  233    HA   ASN  30           HA       ASN  30  21.924  15.216  -4.442
  234   1HB   ASN  30          HB2       ASN  30  23.084  14.508  -6.388
  235   2HB   ASN  30          HB3       ASN  30  22.423  15.860  -7.341
  236   1HD2  ASN  30          HD22      ASN  30  23.914  17.538  -7.589
  237   2HD2  ASN  30          HD21      ASN  30  25.175  17.919  -6.450
  238    H    GLN  31           H        GLN  31  19.416  16.878  -6.136
  239    HA   GLN  31           HA       GLN  31  20.116  19.564  -5.638
  240   1HB   GLN  31          HB2       GLN  31  17.790  20.069  -5.854
  241   2HB   GLN  31          HB3       GLN  31  18.180  18.798  -7.013
  242   1HG   GLN  31          HG2       GLN  31  17.226  17.110  -5.394
  243   2HG   GLN  31          HG3       GLN  31  16.765  18.437  -4.333
  244   1HE2  GLN  31          HE22      GLN  31  15.943  16.721  -7.258
  245   2HE2  GLN  31          HE21      GLN  31  14.460  17.601  -7.612
  246    H    PHE  32           H        PHE  32  19.127  16.997  -3.388
  247    HA   PHE  32           HA       PHE  32  18.465  18.922  -1.272
  248   1HB   PHE  32          HB2       PHE  32  18.718  15.905  -1.086
  249   2HB   PHE  32          HB3       PHE  32  17.947  16.971   0.074
  250    HD1  PHE  32           HD1      PHE  32  17.345  14.765  -2.607
  251    HD2  PHE  32           HD2      PHE  32  15.971  18.535  -1.043
  252    HE1  PHE  32           HE1      PHE  32  15.323  14.587  -3.996
  253    HE2  PHE  32           HE2      PHE  32  13.927  18.350  -2.441
  254    HZ   PHE  32           HZ       PHE  32  13.638  16.394  -3.971
  255    HA   PRO  33           HA       PRO  33  22.749  19.071  -0.094
  256   1HB   PRO  33          HB2       PRO  33  22.629  20.413   2.289
  257   2HB   PRO  33          HB3       PRO  33  22.156  21.147   0.736
  258   1HG   PRO  33          HG2       PRO  33  20.337  19.843   2.786
  259   2HG   PRO  33          HG3       PRO  33  20.173  21.465   2.037
  260   1HD   PRO  33          HD2       PRO  33  18.848  19.288   1.068
  261   2HD   PRO  33          HD3       PRO  33  19.495  20.550  -0.022
  262    H    GLY  34           H        GLY  34  21.380  16.517   0.489
  263   1HA   GLY  34          HA2       GLY  34  23.093  15.514   2.692
  264   2HA   GLY  34          HA3       GLY  34  21.343  15.222   2.743
  265    H    PHE  35           H        PHE  35  21.949  15.111  -0.556
  266    HA   PHE  35           HA       PHE  35  21.721  12.315  -0.777
  267   1HB   PHE  35          HB2       PHE  35  21.059  13.860  -2.507
  268   2HB   PHE  35          HB3       PHE  35  22.661  14.599  -2.538
  269    HD1  PHE  35           HD1      PHE  35  20.694  11.621  -3.549
  270    HD2  PHE  35           HD2      PHE  35  24.508  13.622  -3.764
  271    HE1  PHE  35           HE1      PHE  35  21.380  10.110  -5.360
  272    HE2  PHE  35           HE2      PHE  35  25.210  12.071  -5.576
  273    HZ   PHE  35           HZ       PHE  35  23.654  10.315  -6.368
  274    H    LYS  36           H        LYS  36  23.242  10.799  -1.360
  275    HA   LYS  36           HA       LYS  36  26.140  11.503  -1.156
  276   1HB   LYS  36          HB2       LYS  36  24.804   9.064   0.082
  277   2HB   LYS  36          HB3       LYS  36  26.527   9.299  -0.036
  278   1HG   LYS  36          HG2       LYS  36  24.619  11.123   1.483
  279   2HG   LYS  36          HG3       LYS  36  25.537   9.807   2.213
  280   1HD   LYS  36          HD2       LYS  36  26.684  12.337   0.962
  281   2HD   LYS  36          HD3       LYS  36  26.559  11.948   2.685
  282   1HE   LYS  36          HE2       LYS  36  28.007   9.973   2.361
  283   2HE   LYS  36          HE3       LYS  36  28.178  10.374   0.646
  284   1HZ   LYS  36          HZ1       LYS  36  29.100  12.079   2.894
  285   2HZ   LYS  36          HZ2       LYS  36  30.060  11.182   1.933
  286   3HZ   LYS  36          HZ3       LYS  36  29.257  12.452   1.308
  287    H    GLU  37           H        GLU  37  23.822   8.844  -2.159
  288    HA   GLU  37           HA       GLU  37  25.237   8.686  -4.711
  289   1HB   GLU  37          HB2       GLU  37  26.511   7.373  -2.662
  290   2HB   GLU  37          HB3       GLU  37  25.434   6.093  -3.205
  291   1HG   GLU  37          HG2       GLU  37  26.330   6.328  -5.513
  292   2HG   GLU  37          HG3       GLU  37  27.318   7.694  -5.006
  293    H    VAL  38           H        VAL  38  24.548   6.529  -5.874
  294    HA   VAL  38           HA       VAL  38  21.795   5.649  -5.293
  295    HB   VAL  38           HB       VAL  38  22.846   6.665  -7.980
  296   1HG1  VAL  38          HG11      VAL  38  20.724   6.175  -8.995
  297   2HG1  VAL  38          HG12      VAL  38  21.311   4.692  -8.323
  298   3HG1  VAL  38          HG13      VAL  38  20.043   5.584  -7.457
  299   1HG2  VAL  38          HG21      VAL  38  22.208   8.525  -6.639
  300   2HG2  VAL  38          HG22      VAL  38  20.947   8.280  -7.829
  301   3HG2  VAL  38          HG23      VAL  38  20.677   7.755  -6.157
  302    H    ARG  39           H        ARG  39  21.464   3.505  -6.138
  303    HA   ARG  39           HA       ARG  39  23.700   2.301  -7.608
  304   1HB   ARG  39          HB2       ARG  39  23.870   1.542  -5.161
  305   2HB   ARG  39          HB3       ARG  39  22.330   0.717  -5.428
  306   1HG   ARG  39          HG2       ARG  39  23.763  -0.995  -5.975
  307   2HG   ARG  39          HG3       ARG  39  23.575  -0.286  -7.565
  308   1HD   ARG  39          HD2       ARG  39  25.920  -0.154  -5.672
  309   2HD   ARG  39          HD3       ARG  39  25.877  -0.754  -7.316
  310    HE   ARG  39           HE       ARG  39  25.708   1.576  -8.136
  311   1HH1  ARG  39          HH21      ARG  39  26.653   1.291  -4.667
  312   2HH1  ARG  39          HH22      ARG  39  27.452   2.854  -4.715
  313   1HH2  ARG  39          HH11      ARG  39  26.933   3.550  -8.047
  314   2HH2  ARG  39          HH12      ARG  39  27.619   4.026  -6.493
  315    H    LEU  40           H        LEU  40  22.794   2.015  -9.526
  316    HA   LEU  40           HA       LEU  40  19.901   1.528  -9.859
  317   1HB   LEU  40          HB2       LEU  40  21.958   2.697 -11.419
  318   2HB   LEU  40          HB3       LEU  40  21.696   1.151 -12.181
  319    HG   LEU  40           HG       LEU  40  20.440   2.931 -13.225
  320   1HD1  LEU  40          HD11      LEU  40  18.274   1.941 -13.388
  321   2HD1  LEU  40          HD12      LEU  40  19.457   0.644 -13.220
  322   3HD1  LEU  40          HD13      LEU  40  18.431   1.134 -11.829
  323   1HD2  LEU  40          HD21      LEU  40  18.938   3.335 -10.618
  324   2HD2  LEU  40          HD22      LEU  40  20.085   4.455 -11.354
  325   3HD2  LEU  40          HD23      LEU  40  18.572   4.099 -12.173
  326    H    VAL  41           H        VAL  41  19.340  -0.371 -11.296
  327    HA   VAL  41           HA       VAL  41  21.031  -2.773 -10.779
  328    HB   VAL  41           HB       VAL  41  17.998  -2.674 -10.816
  329   1HG1  VAL  41          HG11      VAL  41  19.981  -4.941 -10.289
  330   2HG1  VAL  41          HG12      VAL  41  18.224  -5.054 -10.081
  331   3HG1  VAL  41          HG13      VAL  41  18.892  -4.794 -11.691
  332   1HG2  VAL  41          HG21      VAL  41  18.778  -1.711  -8.710
  333   2HG2  VAL  41          HG22      VAL  41  18.217  -3.355  -8.402
  334   3HG2  VAL  41          HG23      VAL  41  19.957  -3.023  -8.499
  335    HA   PRO  42           HA       PRO  42  20.678  -1.542 -15.149
  336   1HB   PRO  42          HB2       PRO  42  23.239  -2.036 -16.018
  337   2HB   PRO  42          HB3       PRO  42  22.816  -0.647 -14.981
  338   1HG   PRO  42          HG2       PRO  42  23.855  -3.360 -14.089
  339   2HG   PRO  42          HG3       PRO  42  24.515  -1.740 -13.682
  340   1HD   PRO  42          HD2       PRO  42  22.803  -3.020 -12.016
  341   2HD   PRO  42          HD3       PRO  42  22.690  -1.250 -12.267
  342    H    ASN  43           H        ASN  43  19.833  -4.039 -14.083
  343    HA   ASN  43           HA       ASN  43  19.762  -5.552 -16.549
  344   1HB   ASN  43          HB2       ASN  43  19.804  -7.707 -15.490
  345   2HB   ASN  43          HB3       ASN  43  21.260  -6.840 -15.035
  346   1HD2  ASN  43          HD22      ASN  43  21.683  -6.607 -12.809
  347   2HD2  ASN  43          HD21      ASN  43  20.551  -7.054 -11.559
  348    H    ARG  44           H        ARG  44  18.074  -3.865 -14.065
  349    HA   ARG  44           HA       ARG  44  15.578  -4.837 -15.338
  350   1HB   ARG  44          HB2       ARG  44  16.236  -4.731 -12.425
  351   2HB   ARG  44          HB3       ARG  44  14.717  -3.979 -12.880
  352   1HG   ARG  44          HG2       ARG  44  14.125  -6.098 -14.174
  353   2HG   ARG  44          HG3       ARG  44  15.575  -6.838 -13.480
  354   1HD   ARG  44          HD2       ARG  44  13.632  -7.496 -12.205
  355   2HD   ARG  44          HD3       ARG  44  14.642  -6.447 -11.197
  356    HE   ARG  44           HE       ARG  44  12.850  -4.697 -12.391
  357   1HH1  ARG  44          HH11      ARG  44  12.473  -7.593 -10.354
  358   2HH1  ARG  44          HH12      ARG  44  10.982  -7.073  -9.662
  359   1HH2  ARG  44          HH22      ARG  44  10.900  -4.008 -11.503
  360   2HH2  ARG  44          HH21      ARG  44  10.056  -4.987 -10.340
  361    H    HIS  45           H        HIS  45  17.339  -2.134 -13.898
  362    HA   HIS  45           HA       HIS  45  17.238   0.030 -14.058
  363   1HB   HIS  45          HB2       HIS  45  15.716  -0.406 -16.638
  364   2HB   HIS  45          HB3       HIS  45  16.408   1.116 -16.105
  365    HD1  HIS  45           HD1      HIS  45  19.028   1.441 -16.419
  366    HD2  HIS  45           HD2      HIS  45  17.490  -2.347 -17.446
  367    HE1  HIS  45           HE1      HIS  45  20.888   0.218 -17.665
  368    H    ASP  46           H        ASP  46  14.059  -1.501 -14.064
  369    HA   ASP  46           HA       ASP  46  12.631   0.956 -13.621
  370   1HB   ASP  46          HB2       ASP  46  10.694  -0.319 -13.559
  371   2HB   ASP  46          HB3       ASP  46  11.717  -1.130 -14.740
  372    H    ILE  47           H        ILE  47  14.667  -0.782 -11.600
  373    HA   ILE  47           HA       ILE  47  13.460   0.388  -9.174
  374    HB   ILE  47           HB       ILE  47  14.118  -1.588  -7.932
  375   1HG1  ILE  47          HG12      ILE  47  15.489  -2.353 -10.533
  376   2HG1  ILE  47          HG13      ILE  47  16.143  -2.253  -8.897
  377   1HG2  ILE  47          HG21      ILE  47  11.904  -1.569  -9.221
  378   2HG2  ILE  47          HG22      ILE  47  12.686  -2.633 -10.391
  379   3HG2  ILE  47          HG23      ILE  47  12.500  -3.158  -8.708
  380   1HD1  ILE  47          HD11      ILE  47  14.312  -4.343 -10.034
  381   2HD1  ILE  47          HD12      ILE  47  16.021  -4.525  -9.628
  382   3HD1  ILE  47          HD13      ILE  47  14.832  -4.281  -8.313
  383    H    ALA  48           H        ALA  48  15.103   0.736  -7.454
  384    HA   ALA  48           HA       ALA  48  17.932   0.735  -8.089
  385   1HB   ALA  48          HB1       ALA  48  17.120   2.748  -9.410
  386   2HB   ALA  48          HB2       ALA  48  16.507   3.436  -7.891
  387   3HB   ALA  48          HB3       ALA  48  18.248   3.178  -8.116
  388    H    PHE  49           H        PHE  49  19.122   2.044  -6.356
  389    HA   PHE  49           HA       PHE  49  17.614   2.315  -3.826
  390   1HB   PHE  49          HB2       PHE  49  20.430   1.213  -4.202
  391   2HB   PHE  49          HB3       PHE  49  19.765   1.708  -2.659
  392    HD1  PHE  49           HD1      PHE  49  18.365   0.272  -1.363
  393    HD2  PHE  49           HD2      PHE  49  19.404  -0.792  -5.417
  394    HE1  PHE  49           HE1      PHE  49  17.513  -2.030  -0.984
  395    HE2  PHE  49           HE2      PHE  49  18.512  -3.081  -5.045
  396    HZ   PHE  49           HZ       PHE  49  17.587  -3.709  -2.819
  397    H    VAL  50           H        VAL  50  18.402   4.115  -2.548
  398    HA   VAL  50           HA       VAL  50  20.363   5.946  -3.817
  399    HB   VAL  50           HB       VAL  50  17.620   6.783  -2.789
  400   1HG1  VAL  50          HG11      VAL  50  18.195   9.003  -3.703
  401   2HG1  VAL  50          HG12      VAL  50  19.307   8.524  -2.416
  402   3HG1  VAL  50          HG13      VAL  50  19.824   8.421  -4.108
  403   1HG2  VAL  50          HG21      VAL  50  17.093   7.421  -5.110
  404   2HG2  VAL  50          HG22      VAL  50  18.622   6.692  -5.657
  405   3HG2  VAL  50          HG23      VAL  50  17.348   5.683  -4.951
  406    H    GLU  51           H        GLU  51  21.505   7.202  -2.228
  407    HA   GLU  51           HA       GLU  51  21.230   6.253   0.586
  408   1HB   GLU  51          HB2       GLU  51  22.885   4.885  -0.599
  409   2HB   GLU  51          HB3       GLU  51  23.715   6.333  -1.184
  410   1HG   GLU  51          HG2       GLU  51  24.306   6.968   1.115
  411   2HG   GLU  51          HG3       GLU  51  23.398   5.600   1.758
  412    H    PHE  52           H        PHE  52  21.737   7.738   2.108
  413    HA   PHE  52           HA       PHE  52  22.342  10.531   1.294
  414   1HB   PHE  52          HB2       PHE  52  19.934   9.306   2.588
  415   2HB   PHE  52          HB3       PHE  52  20.493  10.799   3.289
  416    HD1  PHE  52           HD1      PHE  52  19.602   9.347  -0.075
  417    HD2  PHE  52           HD2      PHE  52  19.839  12.852   2.424
  418    HE1  PHE  52           HE1      PHE  52  18.567  10.705  -1.870
  419    HE2  PHE  52           HE2      PHE  52  18.760  14.196   0.641
  420    HZ   PHE  52           HZ       PHE  52  18.175  13.128  -1.526
  421    H    THR  53           H        THR  53  22.859  11.877   3.054
  422    HA   THR  53           HA       THR  53  24.815  11.017   4.911
  423    HB   THR  53           HB       THR  53  23.033  13.500   4.782
  424    HG1  THR  53           HG1      THR  53  24.239  13.307   2.946
  425   1HG2  THR  53          HG21      THR  53  25.605  13.041   6.336
  426   2HG2  THR  53          HG22      THR  53  24.868  14.639   6.035
  427   3HG2  THR  53          HG23      THR  53  23.991  13.429   6.980
  428    H    THR  54           H        THR  54  21.364  11.991   5.372
  429    HA   THR  54           HA       THR  54  21.306  10.548   7.955
  430    HB   THR  54           HB       THR  54  19.948  12.822   8.543
  431    HG1  THR  54           HG1      THR  54  21.129  14.578   7.794
  432   1HG2  THR  54          HG21      THR  54  21.731  11.868   9.907
  433   2HG2  THR  54          HG22      THR  54  22.960  12.477   8.783
  434   3HG2  THR  54          HG23      THR  54  21.962  13.613   9.718
  435    H    GLU  55           H        GLU  55  19.341  10.129   8.748
  436    HA   GLU  55           HA       GLU  55  17.494   9.011   6.911
  437   1HB   GLU  55          HB2       GLU  55  16.903   9.593   9.838
  438   2HB   GLU  55          HB3       GLU  55  16.227   8.346   8.798
  439   1HG   GLU  55          HG2       GLU  55  17.668   7.045   9.950
  440   2HG   GLU  55          HG3       GLU  55  18.761   7.519   8.660
  441    H    LEU  56           H        LEU  56  17.454  12.086   8.707
  442    HA   LEU  56           HA       LEU  56  14.712  12.735   8.076
  443   1HB   LEU  56          HB2       LEU  56  17.094  14.324   9.101
  444   2HB   LEU  56          HB3       LEU  56  15.615  15.133   8.623
  445    HG   LEU  56           HG       LEU  56  15.697  14.838  11.014
  446   1HD1  LEU  56          HD11      LEU  56  13.483  13.962  11.395
  447   2HD1  LEU  56          HD12      LEU  56  13.491  14.829   9.853
  448   3HD1  LEU  56          HD13      LEU  56  13.506  13.050   9.877
  449   1HD2  LEU  56          HD21      LEU  56  15.577  11.822  10.602
  450   2HD2  LEU  56          HD22      LEU  56  17.014  12.733  11.132
  451   3HD2  LEU  56          HD23      LEU  56  15.560  12.702  12.140
  452    H    GLN  57           H        GLN  57  17.849  13.405   6.477
  453    HA   GLN  57           HA       GLN  57  16.623  15.273   4.610
  454   1HB   GLN  57          HB2       GLN  57  19.341  13.890   4.533
  455   2HB   GLN  57          HB3       GLN  57  18.784  15.167   3.432
  456   1HG   GLN  57          HG2       GLN  57  18.334  16.575   5.566
  457   2HG   GLN  57          HG3       GLN  57  19.304  15.366   6.417
  458   1HE2  GLN  57          HE22      GLN  57  21.594  15.117   5.758
  459   2HE2  GLN  57          HE21      GLN  57  22.401  16.428   4.896
  460    H    SER  58           H        SER  58  17.528  11.787   4.514
  461    HA   SER  58           HA       SER  58  16.592  11.365   1.834
  462   1HB   SER  58          HB2       SER  58  16.214   8.959   2.820
  463   2HB   SER  58          HB3       SER  58  17.830   9.589   2.540
  464    HG   SER  58           HG       SER  58  18.033  10.045   4.739
  465    H    ASN  59           H        ASN  59  14.881  11.274   5.039
  466    HA   ASN  59           HA       ASN  59  12.364  10.569   3.983
  467   1HB   ASN  59          HB2       ASN  59  12.772  10.603   6.394
  468   2HB   ASN  59          HB3       ASN  59  13.033  12.342   6.357
  469   1HD2  ASN  59          HD22      ASN  59  11.284  13.390   7.256
  470   2HD2  ASN  59          HD21      ASN  59   9.619  12.947   6.988
  471    H    ALA  60           H        ALA  60  13.754  13.857   4.390
  472    HA   ALA  60           HA       ALA  60  11.527  15.234   3.275
  473   1HB   ALA  60          HB1       ALA  60  14.474  16.011   3.182
  474   2HB   ALA  60          HB2       ALA  60  13.089  17.091   2.915
  475   3HB   ALA  60          HB3       ALA  60  13.341  16.360   4.513
  476    H    ALA  61           H        ALA  61  14.403  13.857   1.671
  477    HA   ALA  61           HA       ALA  61  13.738  14.711  -0.967
  478   1HB   ALA  61          HB1       ALA  61  15.981  13.889  -0.294
  479   2HB   ALA  61          HB2       ALA  61  15.319  12.248  -0.098
  480   3HB   ALA  61          HB3       ALA  61  15.324  13.018  -1.695
  481    H    LYS  62           H        LYS  62  12.901  11.732   0.852
  482    HA   LYS  62           HA       LYS  62  11.525  10.386  -1.220
  483   1HB   LYS  62          HB2       LYS  62  12.203   9.277   0.834
  484   2HB   LYS  62          HB3       LYS  62  11.179  10.331   1.811
  485   1HG   LYS  62          HG2       LYS  62   9.151   9.391   0.772
  486   2HG   LYS  62          HG3       LYS  62  10.156   8.357  -0.252
  487   1HD   LYS  62          HD2       LYS  62  11.108   7.302   1.837
  488   2HD   LYS  62          HD3       LYS  62   9.996   8.312   2.788
  489   1HE   LYS  62          HE2       LYS  62   8.077   7.288   1.473
  490   2HE   LYS  62          HE3       LYS  62   9.241   6.184   0.727
  491   1HZ   LYS  62          HZ1       LYS  62   8.529   6.351   3.593
  492   2HZ   LYS  62          HZ2       LYS  62   8.245   5.094   2.584
  493   3HZ   LYS  62          HZ3       LYS  62   9.771   5.433   3.040
  494    H    GLU  63           H        GLU  63  10.252  12.621   1.332
  495    HA   GLU  63           HA       GLU  63   7.586  12.634   0.399
  496   1HB   GLU  63          HB2       GLU  63   9.227  14.764   1.836
  497   2HB   GLU  63          HB3       GLU  63   7.492  14.900   1.573
  498   1HG   GLU  63          HG2       GLU  63   8.780  12.592   3.095
  499   2HG   GLU  63          HG3       GLU  63   8.205  14.068   3.849
  500    H    ALA  64           H        ALA  64  10.380  14.577  -0.610
  501    HA   ALA  64           HA       ALA  64   8.946  16.394  -2.262
  502   1HB   ALA  64          HB1       ALA  64  11.179  16.992  -3.099
  503   2HB   ALA  64          HB2       ALA  64  11.199  16.813  -1.329
  504   3HB   ALA  64          HB3       ALA  64  11.861  15.527  -2.367
  505    H    LEU  65           H        LEU  65  10.568  13.260  -3.051
  506    HA   LEU  65           HA       LEU  65   9.779  13.674  -5.898
  507   1HB   LEU  65          HB2       LEU  65  12.031  12.045  -4.686
  508   2HB   LEU  65          HB3       LEU  65  11.608  12.055  -6.393
  509    HG   LEU  65           HG       LEU  65  12.612  14.442  -4.805
  510   1HD1  LEU  65          HD11      LEU  65  13.871  12.801  -7.051
  511   2HD1  LEU  65          HD12      LEU  65  14.581  14.251  -6.305
  512   3HD1  LEU  65          HD13      LEU  65  14.341  12.786  -5.343
  513   1HD2  LEU  65          HD21      LEU  65  12.736  15.608  -7.010
  514   2HD2  LEU  65          HD22      LEU  65  11.851  14.261  -7.755
  515   3HD2  LEU  65          HD23      LEU  65  11.077  15.287  -6.524
  516    H    GLN  66           H        GLN  66   8.667  11.789  -3.305
  517    HA   GLN  66           HA       GLN  66   7.916   9.408  -4.686
  518   1HB   GLN  66          HB2       GLN  66   6.718  11.056  -2.455
  519   2HB   GLN  66          HB3       GLN  66   5.736   9.789  -3.181
  520   1HG   GLN  66          HG2       GLN  66   8.539   9.037  -2.365
  521   2HG   GLN  66          HG3       GLN  66   7.350   9.322  -1.098
  522   1HE2  GLN  66          HE22      GLN  66   6.413   7.423  -0.431
  523   2HE2  GLN  66          HE21      GLN  66   6.206   6.012  -1.436
  524    H    GLY  67           H        GLY  67   6.785   9.116  -6.504
  525   1HA   GLY  67          HA2       GLY  67   5.070   9.317  -7.990
  526   2HA   GLY  67          HA3       GLY  67   4.459  10.749  -7.156
  527    H    PHE  68           H        PHE  68   7.811  11.204  -7.793
  528    HA   PHE  68           HA       PHE  68   7.265  13.285  -9.711
  529   1HB   PHE  68          HB2       PHE  68   9.090  13.419  -8.087
  530   2HB   PHE  68          HB3       PHE  68   9.834  11.973  -8.753
  531    HD1  PHE  68           HD1      PHE  68   9.174  15.577  -9.310
  532    HD2  PHE  68           HD2      PHE  68  11.127  12.040 -10.830
  533    HE1  PHE  68           HE1      PHE  68  10.532  16.979 -10.842
  534    HE2  PHE  68           HE2      PHE  68  12.486  13.449 -12.352
  535    HZ   PHE  68           HZ       PHE  68  12.194  15.919 -12.361
  536    H    LYS  69           H        LYS  69   6.997  13.019 -11.860
  537    HA   LYS  69           HA       LYS  69   7.471  10.516 -13.258
  538   1HB   LYS  69          HB2       LYS  69   6.511  13.256 -14.012
  539   2HB   LYS  69          HB3       LYS  69   7.445  12.414 -15.244
  540   1HG   LYS  69          HG2       LYS  69   5.234  11.853 -15.693
  541   2HG   LYS  69          HG3       LYS  69   5.984  10.416 -15.005
  542   1HD   LYS  69          HD2       LYS  69   4.954  10.987 -12.785
  543   2HD   LYS  69          HD3       LYS  69   4.094  12.325 -13.591
  544   1HE   LYS  69          HE2       LYS  69   3.266  10.579 -15.291
  545   2HE   LYS  69          HE3       LYS  69   3.912   9.334 -14.221
  546   1HZ   LYS  69          HZ1       LYS  69   1.778  11.297 -13.541
  547   2HZ   LYS  69          HZ2       LYS  69   1.554   9.712 -13.816
  548   3HZ   LYS  69          HZ3       LYS  69   2.366  10.198 -12.487
  549    H    ILE  70           H        ILE  70   9.427   9.736 -13.484
  550    HA   ILE  70           HA       ILE  70  11.830  11.437 -13.786
  551    HB   ILE  70           HB       ILE  70  11.376   8.466 -14.213
  552   1HG1  ILE  70          HG12      ILE  70  12.860   9.960 -11.999
  553   2HG1  ILE  70          HG13      ILE  70  11.199   9.392 -11.832
  554   1HG2  ILE  70          HG21      ILE  70  13.252   9.357 -15.613
  555   2HG2  ILE  70          HG22      ILE  70  13.959  10.110 -14.169
  556   3HG2  ILE  70          HG23      ILE  70  13.870   8.344 -14.316
  557   1HD1  ILE  70          HD11      ILE  70  11.858   7.086 -12.057
  558   2HD1  ILE  70          HD12      ILE  70  13.551   7.533 -12.362
  559   3HD1  ILE  70          HD13      ILE  70  12.828   7.876 -10.794
  560    H    THR  71           H        THR  71   9.649   9.388 -15.841
  561    HA   THR  71           HA       THR  71   9.900  11.361 -17.999
  562    HB   THR  71           HB       THR  71   9.767   9.460 -19.646
  563    HG1  THR  71           HG1      THR  71  10.635   7.460 -18.869
  564   1HG2  THR  71          HG21      THR  71  11.928  10.647 -19.181
  565   2HG2  THR  71          HG22      THR  71  12.320   9.395 -17.981
  566   3HG2  THR  71          HG23      THR  71  12.145   8.967 -19.696
  567    HA   PRO  72           HA       PRO  72   5.711  11.782 -17.900
  568   1HB   PRO  72          HB2       PRO  72   5.320  10.418 -20.572
  569   2HB   PRO  72          HB3       PRO  72   4.560  11.925 -19.960
  570   1HG   PRO  72          HG2       PRO  72   6.715  12.096 -21.568
  571   2HG   PRO  72          HG3       PRO  72   6.644  13.110 -20.089
  572   1HD   PRO  72          HD2       PRO  72   8.142  10.536 -20.543
  573   2HD   PRO  72          HD3       PRO  72   8.675  12.020 -19.696
  574    H    THR  73           H        THR  73   6.501   8.389 -18.417
  575    HA   THR  73           HA       THR  73   3.871   7.575 -17.316
  576    HB   THR  73           HB       THR  73   4.441   5.428 -18.665
  577    HG1  THR  73           HG1      THR  73   5.902   5.710 -20.323
  578   1HG2  THR  73          HG21      THR  73   3.950   8.006 -20.232
  579   2HG2  THR  73          HG22      THR  73   3.549   6.353 -20.748
  580   3HG2  THR  73          HG23      THR  73   2.711   7.072 -19.366
  581    H    HIS  74           H        HIS  74   6.763   8.144 -16.088
  582    HA   HIS  74           HA       HIS  74   6.809   5.662 -14.444
  583   1HB   HIS  74          HB2       HIS  74   9.219   7.040 -15.672
  584   2HB   HIS  74          HB3       HIS  74   9.247   5.679 -14.544
  585    HD1  HIS  74           HD1      HIS  74   8.918   6.426 -18.187
  586    HD2  HIS  74           HD2      HIS  74   8.070   3.295 -15.510
  587    HE1  HIS  74           HE1      HIS  74   8.503   4.346 -19.621
  588    H    ALA  75           H        ALA  75   5.484   7.067 -13.150
  589    HA   ALA  75           HA       ALA  75   6.701   9.222 -11.604
  590   1HB   ALA  75          HB1       ALA  75   4.752   8.822 -10.116
  591   2HB   ALA  75          HB2       ALA  75   4.241   9.021 -11.797
  592   3HB   ALA  75          HB3       ALA  75   4.296   7.404 -11.071
  593    H    MET  76           H        MET  76   8.584   8.636 -10.480
  594    HA   MET  76           HA       MET  76   9.169   5.994  -9.711
  595   1HB   MET  76          HB2       MET  76  10.983   6.792  -8.506
  596   2HB   MET  76          HB3       MET  76  10.766   7.955  -9.816
  597   1HG   MET  76          HG2       MET  76   9.792   9.563  -8.243
  598   2HG   MET  76          HG3       MET  76   9.861   8.360  -6.945
  599   1HE   MET  76          HE1       MET  76  13.542  10.553  -8.697
  600   2HE   MET  76          HE2       MET  76  12.280   9.815  -9.704
  601   3HE   MET  76          HE3       MET  76  11.908  11.235  -8.706
  602    H    LYS  77           H        LYS  77   8.980   4.791  -7.838
  603    HA   LYS  77           HA       LYS  77   7.241   5.861  -5.658
  604   1HB   LYS  77          HB2       LYS  77   6.143   3.990  -6.791
  605   2HB   LYS  77          HB3       LYS  77   7.630   3.032  -6.712
  606   1HG   LYS  77          HG2       LYS  77   7.517   2.965  -4.270
  607   2HG   LYS  77          HG3       LYS  77   6.082   3.994  -4.261
  608   1HD   LYS  77          HD2       LYS  77   6.282   1.239  -5.539
  609   2HD   LYS  77          HD3       LYS  77   5.709   1.511  -3.898
  610   1HE   LYS  77          HE2       LYS  77   4.391   2.491  -6.464
  611   2HE   LYS  77          HE3       LYS  77   3.909   1.097  -5.487
  612   1HZ   LYS  77          HZ1       LYS  77   3.405   2.615  -3.664
  613   2HZ   LYS  77          HZ2       LYS  77   3.818   3.916  -4.570
  614   3HZ   LYS  77          HZ3       LYS  77   2.538   3.001  -4.985
  615    H    ILE  78           H        ILE  78   8.121   5.612  -3.611
  616    HA   ILE  78           HA       ILE  78  10.949   4.702  -3.406
  617    HB   ILE  78           HB       ILE  78   9.736   7.119  -2.042
  618   1HG1  ILE  78          HG12      ILE  78  11.189   7.122  -4.715
  619   2HG1  ILE  78          HG13      ILE  78   9.575   7.703  -4.363
  620   1HG2  ILE  78          HG21      ILE  78  12.036   7.771  -1.555
  621   2HG2  ILE  78          HG22      ILE  78  11.778   6.140  -0.989
  622   3HG2  ILE  78          HG23      ILE  78  12.656   6.416  -2.505
  623   1HD1  ILE  78          HD11      ILE  78  11.021   9.580  -4.659
  624   2HD1  ILE  78          HD12      ILE  78  10.548   9.516  -2.960
  625   3HD1  ILE  78          HD13      ILE  78  12.168   8.986  -3.452
  626    H    THR  79           H        THR  79  11.493   3.771  -1.450
  627    HA   THR  79           HA       THR  79   9.560   3.433   0.764
  628    HB   THR  79           HB       THR  79  10.722   0.943   0.525
  629    HG1  THR  79           HG1      THR  79  11.306   1.658  -1.748
  630   1HG2  THR  79          HG21      THR  79   8.064   1.738  -0.741
  631   2HG2  THR  79          HG22      THR  79   8.560   0.106  -0.214
  632   3HG2  THR  79          HG23      THR  79   8.328   1.384   0.981
  633    H    PHE  80           H        PHE  80  10.787   3.036   2.779
  634    HA   PHE  80           HA       PHE  80  13.597   3.918   2.666
  635   1HB   PHE  80          HB2       PHE  80  11.769   2.984   4.901
  636   2HB   PHE  80          HB3       PHE  80  13.483   3.310   5.137
  637    HD1  PHE  80           HD1      PHE  80  14.341   5.667   4.292
  638    HD2  PHE  80           HD2      PHE  80  10.263   4.759   5.321
  639    HE1  PHE  80           HE1      PHE  80  13.882   8.090   4.580
  640    HE2  PHE  80           HE2      PHE  80   9.816   7.179   5.678
  641    HZ   PHE  80           HZ       PHE  80  11.602   8.840   5.264
  642    H    ALA  81           H        ALA  81  15.290   2.573   2.492
  643    HA   ALA  81           HA       ALA  81  14.903  -0.362   2.327
  644   1HB   ALA  81          HB1       ALA  81  16.374   0.793   0.664
  645   2HB   ALA  81          HB2       ALA  81  17.416   1.337   2.000
  646   3HB   ALA  81          HB3       ALA  81  17.251  -0.389   1.636
  647    H    LYS  82           H        LYS  82  17.190  -1.265   3.569
  648    HA   LYS  82           HA       LYS  82  16.895  -0.394   6.424
  649   1HB   LYS  82          HB2       LYS  82  17.199  -3.164   5.197
  650   2HB   LYS  82          HB3       LYS  82  17.393  -2.838   6.922
  651   1HG   LYS  82          HG2       LYS  82  15.117  -2.045   7.129
  652   2HG   LYS  82          HG3       LYS  82  14.839  -2.190   5.385
  653   1HD   LYS  82          HD2       LYS  82  15.222  -4.618   5.480
  654   2HD   LYS  82          HD3       LYS  82  15.554  -4.520   7.223
  655   1HE   LYS  82          HE2       LYS  82  13.253  -3.705   7.621
  656   2HE   LYS  82          HE3       LYS  82  12.915  -3.774   5.883
  657   1HZ   LYS  82          HZ1       LYS  82  13.266  -6.180   5.990
  658   2HZ   LYS  82          HZ2       LYS  82  13.577  -6.106   7.593
  659   3HZ   LYS  82          HZ3       LYS  82  12.094  -5.738   7.033
  660    H    LYS  83           H        LYS  83  18.844  -1.431   7.698
  661    HA   LYS  83           HA       LYS  83  21.393  -1.434   6.279
  662   1HB   LYS  83          HB2       LYS  83  20.708   0.461   8.579
  663   2HB   LYS  83          HB3       LYS  83  22.348  -0.129   8.294
  664   1HG   LYS  83          HG2       LYS  83  22.339   0.826   6.019
  665   2HG   LYS  83          HG3       LYS  83  20.693   1.413   6.257
  666   1HD   LYS  83          HD2       LYS  83  22.288   3.232   6.551
  667   2HD   LYS  83          HD3       LYS  83  21.408   2.907   8.038
  668   1HE   LYS  83          HE2       LYS  83  23.701   3.371   8.587
  669   2HE   LYS  83          HE3       LYS  83  23.360   1.683   8.954
  670   1HZ   LYS  83          HZ1       LYS  83  25.485   1.954   7.844
  671   2HZ   LYS  83          HZ2       LYS  83  24.505   1.078   6.886
  672   3HZ   LYS  83          HZ3       LYS  83  24.802   2.655   6.547
  Start of MODEL    4
    1   1H    ALA   1          H1        ALA   1   8.917  -7.852  -1.885
    2   2H    ALA   1          H2        ALA   1   9.009  -8.784  -3.233
    3   3H    ALA   1          H3        ALA   1  10.153  -7.650  -2.937
    4    HA   ALA   1           HA       ALA   1   8.709  -6.898  -4.651
    5   1HB   ALA   1          HB1       ALA   1   6.337  -6.405  -4.161
    6   2HB   ALA   1          HB2       ALA   1   6.694  -8.137  -4.082
    7   3HB   ALA   1          HB3       ALA   1   6.488  -7.209  -2.583
    8    H    GLN   2           H        GLN   2   7.338  -5.551  -1.593
    9    HA   GLN   2           HA       GLN   2   9.284  -3.374  -1.556
   10   1HB   GLN   2          HB2       GLN   2   6.453  -3.109  -2.548
   11   2HB   GLN   2          HB3       GLN   2   6.920  -1.934  -1.337
   12   1HG   GLN   2          HG2       GLN   2   8.473  -2.383  -3.923
   13   2HG   GLN   2          HG3       GLN   2   7.245  -1.145  -3.669
   14   1HE2  GLN   2          HE22      GLN   2   9.232   0.295  -4.307
   15   2HE2  GLN   2          HE21      GLN   2  10.163   0.849  -2.919
   16    H    THR   3           H        THR   3   8.940  -2.035   0.420
   17    HA   THR   3           HA       THR   3   7.303  -3.197   2.565
   18    HB   THR   3           HB       THR   3   9.385  -3.046   4.098
   19    HG1  THR   3           HG1      THR   3  10.735  -2.141   2.377
   20   1HG2  THR   3          HG21      THR   3   8.285  -5.199   3.458
   21   2HG2  THR   3          HG22      THR   3   9.406  -5.325   2.083
   22   3HG2  THR   3          HG23      THR   3  10.025  -5.340   3.748
   23    H    GLU   4           H        GLU   4   7.404  -1.677   4.537
   24    HA   GLU   4           HA       GLU   4   8.232   1.083   3.884
   25   1HB   GLU   4          HB2       GLU   4   5.476   0.248   4.902
   26   2HB   GLU   4          HB3       GLU   4   6.116   1.894   4.976
   27   1HG   GLU   4          HG2       GLU   4   6.340   1.921   2.497
   28   2HG   GLU   4          HG3       GLU   4   5.636   0.303   2.421
   29    H    GLN   5           H        GLN   5   8.796   2.240   5.797
   30    HA   GLN   5           HA       GLN   5   9.004   0.879   8.381
   31   1HB   GLN   5          HB2       GLN   5  11.354   1.487   6.505
   32   2HB   GLN   5          HB3       GLN   5  11.581   1.306   8.227
   33   1HG   GLN   5          HG2       GLN   5  10.551  -0.881   6.378
   34   2HG   GLN   5          HG3       GLN   5  12.177  -0.704   6.997
   35   1HE2  GLN   5          HE22      GLN   5   8.851  -1.534   7.895
   36   2HE2  GLN   5          HE21      GLN   5   9.260  -2.283   9.433
   37    HA   PRO   6           HA       PRO   6   9.531   5.287   9.518
   38   1HB   PRO   6          HB2       PRO   6  11.434   5.170  11.524
   39   2HB   PRO   6          HB3       PRO   6   9.705   4.774  11.754
   40   1HG   PRO   6          HG2       PRO   6  12.005   2.870  11.223
   41   2HG   PRO   6          HG3       PRO   6  10.728   2.742  12.478
   42   1HD   PRO   6          HD2       PRO   6  10.544   1.383  10.149
   43   2HD   PRO   6          HD3       PRO   6   9.095   2.125  10.876
   44    HA   PRO   7           HA       PRO   7  12.774   6.861   7.092
   45   1HB   PRO   7          HB2       PRO   7  13.808   8.393   9.491
   46   2HB   PRO   7          HB3       PRO   7  13.611   8.960   7.804
   47   1HG   PRO   7          HG2       PRO   7  11.710   9.536   9.636
   48   2HG   PRO   7          HG3       PRO   7  11.220   8.958   8.009
   49   1HD   PRO   7          HD2       PRO   7  11.370   7.400  10.594
   50   2HD   PRO   7          HD3       PRO   7  10.127   7.352   9.307
   51    H    ASN   8           H        ASN   8  14.807   6.452   6.353
   52    HA   ASN   8           HA       ASN   8  16.975   5.527   8.098
   53   1HB   ASN   8          HB2       ASN   8  15.817   3.389   7.475
   54   2HB   ASN   8          HB3       ASN   8  15.870   3.861   5.780
   55   1HD2  ASN   8          HD22      ASN   8  17.107   2.032   5.189
   56   2HD2  ASN   8          HD21      ASN   8  18.824   1.938   5.559
   57    H    GLN   9           H        GLN   9  19.019   5.856   6.995
   58    HA   GLN   9           HA       GLN   9  18.980   7.996   5.042
   59   1HB   GLN   9          HB2       GLN   9  21.320   8.125   5.368
   60   2HB   GLN   9          HB3       GLN   9  20.572   7.894   6.936
   61   1HG   GLN   9          HG2       GLN   9  21.190   5.463   6.860
   62   2HG   GLN   9          HG3       GLN   9  21.979   5.730   5.301
   63   1HE2  GLN   9          HE22      GLN   9  23.651   7.683   5.336
   64   2HE2  GLN   9          HE21      GLN   9  24.704   7.695   6.731
   65    H    ILE  10           H        ILE  10  18.138   5.030   4.278
   66    HA   ILE  10           HA       ILE  10  19.514   5.044   1.693
   67    HB   ILE  10           HB       ILE  10  19.192   2.437   3.221
   68   1HG1  ILE  10          HG12      ILE  10  21.724   4.112   2.989
   69   2HG1  ILE  10          HG13      ILE  10  20.859   3.693   4.472
   70   1HG2  ILE  10          HG21      ILE  10  19.229   2.373   0.697
   71   2HG2  ILE  10          HG22      ILE  10  20.838   3.115   0.741
   72   3HG2  ILE  10          HG23      ILE  10  20.557   1.498   1.428
   73   1HD1  ILE  10          HD11      ILE  10  21.371   1.270   4.034
   74   2HD1  ILE  10          HD12      ILE  10  22.442   1.801   2.711
   75   3HD1  ILE  10          HD13      ILE  10  22.776   2.302   4.374
   76    H    LEU  11           H        LEU  11  18.121   4.423   0.115
   77    HA   LEU  11           HA       LEU  11  15.236   4.053   0.798
   78   1HB   LEU  11          HB2       LEU  11  16.745   6.060  -0.863
   79   2HB   LEU  11          HB3       LEU  11  15.253   5.445  -1.542
   80    HG   LEU  11           HG       LEU  11  13.906   6.350   0.154
   81   1HD1  LEU  11          HD11      LEU  11  14.784   7.563   2.126
   82   2HD1  LEU  11          HD12      LEU  11  15.131   5.842   2.170
   83   3HD1  LEU  11          HD13      LEU  11  16.426   6.966   1.731
   84   1HD2  LEU  11          HD21      LEU  11  14.795   7.963  -1.533
   85   2HD2  LEU  11          HD22      LEU  11  14.458   8.754   0.018
   86   3HD2  LEU  11          HD23      LEU  11  16.127   8.367  -0.434
   87    H    PHE  12           H        PHE  12  14.088   2.856  -0.745
   88    HA   PHE  12           HA       PHE  12  15.641   1.477  -2.875
   89   1HB   PHE  12          HB2       PHE  12  15.076  -0.175  -1.155
   90   2HB   PHE  12          HB3       PHE  12  13.405   0.379  -1.130
   91    HD1  PHE  12           HD1      PHE  12  11.887  -1.015  -2.234
   92    HD2  PHE  12           HD2      PHE  12  15.901  -0.733  -3.757
   93    HE1  PHE  12           HE1      PHE  12  11.360  -2.733  -3.944
   94    HE2  PHE  12           HE2      PHE  12  15.364  -2.407  -5.499
   95    HZ   PHE  12           HZ       PHE  12  13.093  -3.426  -5.592
   96    H    LEU  13           H        LEU  13  14.567   1.506  -4.849
   97    HA   LEU  13           HA       LEU  13  12.182   3.283  -5.018
   98   1HB   LEU  13          HB2       LEU  13  14.944   3.551  -6.202
   99   2HB   LEU  13          HB3       LEU  13  13.581   3.908  -7.224
  100    HG   LEU  13           HG       LEU  13  12.739   5.561  -5.488
  101   1HD1  LEU  13          HD11      LEU  13  14.576   6.485  -3.992
  102   2HD1  LEU  13          HD12      LEU  13  13.947   4.912  -3.506
  103   3HD1  LEU  13          HD13      LEU  13  15.510   5.009  -4.327
  104   1HD2  LEU  13          HD21      LEU  13  14.325   7.280  -6.237
  105   2HD2  LEU  13          HD22      LEU  13  15.490   6.032  -6.727
  106   3HD2  LEU  13          HD23      LEU  13  13.939   6.202  -7.575
  107    H    THR  14           H        THR  14  10.792   2.778  -6.628
  108    HA   THR  14           HA       THR  14  11.402   0.592  -8.527
  109    HB   THR  14           HB       THR  14   9.205  -0.491  -7.913
  110    HG1  THR  14           HG1      THR  14   8.057   0.708  -6.611
  111   1HG2  THR  14          HG21      THR  14  11.139  -0.416  -5.574
  112   2HG2  THR  14          HG22      THR  14   9.976  -1.691  -5.977
  113   3HG2  THR  14          HG23      THR  14  11.372  -1.400  -7.032
  114    H    ASN  15           H        ASN  15   9.386   0.341 -10.028
  115    HA   ASN  15           HA       ASN  15   8.251   1.169 -11.735
  116   1HB   ASN  15          HB2       ASN  15   6.653   1.688  -9.854
  117   2HB   ASN  15          HB3       ASN  15   7.271   3.340  -9.854
  118   1HD2  ASN  15          HD22      ASN  15   5.827   4.677 -10.905
  119   2HD2  ASN  15          HD21      ASN  15   4.839   4.203 -12.284
  120    H    LEU  16           H        LEU  16  10.977   2.059 -11.477
  121    HA   LEU  16           HA       LEU  16  11.125   4.830 -12.431
  122   1HB   LEU  16          HB2       LEU  16  13.324   2.754 -12.517
  123   2HB   LEU  16          HB3       LEU  16  13.481   4.493 -12.479
  124    HG   LEU  16           HG       LEU  16  12.561   2.741 -10.163
  125   1HD1  LEU  16          HD11      LEU  16  15.140   4.255 -10.642
  126   2HD1  LEU  16          HD12      LEU  16  14.707   3.336  -9.179
  127   3HD1  LEU  16          HD13      LEU  16  14.926   2.505 -10.730
  128   1HD2  LEU  16          HD21      LEU  16  13.243   5.690 -10.016
  129   2HD2  LEU  16          HD22      LEU  16  11.567   5.131 -10.255
  130   3HD2  LEU  16          HD23      LEU  16  12.424   4.676  -8.811
  131    HA   PRO  17           HA       PRO  17  10.971   4.000 -16.864
  132   1HB   PRO  17          HB2       PRO  17  13.751   5.095 -17.065
  133   2HB   PRO  17          HB3       PRO  17  12.302   5.482 -18.035
  134   1HG   PRO  17          HG2       PRO  17  13.246   7.096 -16.027
  135   2HG   PRO  17          HG3       PRO  17  11.500   6.963 -16.397
  136   1HD   PRO  17          HD2       PRO  17  12.987   5.859 -14.088
  137   2HD   PRO  17          HD3       PRO  17  11.269   6.258 -14.244
  138    H    GLU  18           H        GLU  18  11.687   2.308 -18.260
  139    HA   GLU  18           HA       GLU  18  13.402   0.250 -17.160
  140   1HB   GLU  18          HB2       GLU  18  12.161   0.616 -19.924
  141   2HB   GLU  18          HB3       GLU  18  13.001  -0.843 -19.380
  142   1HG   GLU  18          HG2       GLU  18  11.354  -1.100 -17.528
  143   2HG   GLU  18          HG3       GLU  18  10.461   0.294 -18.140
  144    H    GLU  19           H        GLU  19  14.343   3.155 -18.170
  145    HA   GLU  19           HA       GLU  19  16.824   2.256 -19.392
  146   1HB   GLU  19          HB2       GLU  19  15.250   4.734 -20.212
  147   2HB   GLU  19          HB3       GLU  19  16.728   4.124 -20.964
  148   1HG   GLU  19          HG2       GLU  19  15.441   2.044 -21.623
  149   2HG   GLU  19          HG3       GLU  19  13.971   2.826 -21.023
  150    H    THR  20           H        THR  20  15.761   3.326 -16.599
  151    HA   THR  20           HA       THR  20  16.989   5.858 -16.111
  152    HB   THR  20           HB       THR  20  16.610   3.633 -14.070
  153    HG1  THR  20           HG1      THR  20  14.646   3.691 -14.955
  154   1HG2  THR  20          HG21      THR  20  15.980   5.536 -12.599
  155   2HG2  THR  20          HG22      THR  20  17.630   5.750 -13.222
  156   3HG2  THR  20          HG23      THR  20  16.274   6.674 -13.926
  157    H    ASN  21           H        ASN  21  19.046   6.365 -15.319
  158    HA   ASN  21           HA       ASN  21  20.989   4.190 -14.920
  159   1HB   ASN  21          HB2       ASN  21  21.363   4.907 -17.239
  160   2HB   ASN  21          HB3       ASN  21  21.409   6.594 -16.742
  161   1HD2  ASN  21          HD22      ASN  21  23.542   7.178 -17.201
  162   2HD2  ASN  21          HD21      ASN  21  24.924   6.366 -16.516
  163    H    GLU  22           H        GLU  22  22.892   5.107 -13.731
  164    HA   GLU  22           HA       GLU  22  22.177   6.246 -11.306
  165   1HB   GLU  22          HB2       GLU  22  24.234   4.919 -11.988
  166   2HB   GLU  22          HB3       GLU  22  24.892   6.402 -12.686
  167   1HG   GLU  22          HG2       GLU  22  24.719   7.466 -10.404
  168   2HG   GLU  22          HG3       GLU  22  24.179   5.904  -9.772
  169    H    MET  23           H        MET  23  23.253   7.893 -14.245
  170    HA   MET  23           HA       MET  23  23.816  10.439 -13.191
  171   1HB   MET  23          HB2       MET  23  24.410   9.659 -15.471
  172   2HB   MET  23          HB3       MET  23  22.699   9.676 -15.921
  173   1HG   MET  23          HG2       MET  23  22.654  12.150 -15.485
  174   2HG   MET  23          HG3       MET  23  24.370  12.078 -15.083
  175   1HE   MET  23          HE1       MET  23  21.623  12.002 -17.829
  176   2HE   MET  23          HE2       MET  23  22.515  11.601 -19.312
  177   3HE   MET  23          HE3       MET  23  22.256  10.359 -18.074
  178    H    MET  24           H        MET  24  20.702   9.075 -14.305
  179    HA   MET  24           HA       MET  24  19.264  11.544 -14.307
  180   1HB   MET  24          HB2       MET  24  18.285   8.647 -14.046
  181   2HB   MET  24          HB3       MET  24  17.229  10.051 -14.165
  182   1HG   MET  24          HG2       MET  24  17.373   9.079 -16.301
  183   2HG   MET  24          HG3       MET  24  18.236  10.620 -16.355
  184   1HE   MET  24          HE1       MET  24  19.186   9.899 -18.736
  185   2HE   MET  24          HE2       MET  24  20.066   8.382 -19.028
  186   3HE   MET  24          HE3       MET  24  18.337   8.339 -18.617
  187    H    LEU  25           H        LEU  25  19.429   8.889 -11.930
  188    HA   LEU  25           HA       LEU  25  17.716  10.308 -10.076
  189   1HB   LEU  25          HB2       LEU  25  19.575   7.934  -9.673
  190   2HB   LEU  25          HB3       LEU  25  18.435   8.543  -8.459
  191    HG   LEU  25           HG       LEU  25  17.817   7.205 -11.110
  192   1HD1  LEU  25          HD11      LEU  25  17.193   6.552  -8.194
  193   2HD1  LEU  25          HD12      LEU  25  16.559   5.645  -9.582
  194   3HD1  LEU  25          HD13      LEU  25  18.296   5.683  -9.281
  195   1HD2  LEU  25          HD21      LEU  25  15.898   8.692  -9.272
  196   2HD2  LEU  25          HD22      LEU  25  16.184   8.964 -11.013
  197   3HD2  LEU  25          HD23      LEU  25  15.379   7.491 -10.483
  198    H    SER  26           H        SER  26  21.270  10.103 -10.527
  199    HA   SER  26           HA       SER  26  21.964  11.367  -8.049
  200   1HB   SER  26          HB2       SER  26  23.379  11.550 -10.748
  201   2HB   SER  26          HB3       SER  26  24.056  12.009  -9.175
  202    HG   SER  26           HG       SER  26  23.295   9.448 -10.107
  203    H    MET  27           H        MET  27  21.228  12.668 -11.312
  204    HA   MET  27           HA       MET  27  21.520  15.399 -10.666
  205   1HB   MET  27          HB2       MET  27  21.408  14.521 -12.955
  206   2HB   MET  27          HB3       MET  27  19.721  14.039 -12.724
  207   1HG   MET  27          HG2       MET  27  19.072  16.371 -12.393
  208   2HG   MET  27          HG3       MET  27  20.761  16.881 -12.554
  209   1HE   MET  27          HE1       MET  27  18.935  18.286 -15.759
  210   2HE   MET  27          HE2       MET  27  18.223  18.066 -14.145
  211   3HE   MET  27          HE3       MET  27  19.879  18.693 -14.308
  212    H    LEU  28           H        LEU  28  18.618  13.246 -10.403
  213    HA   LEU  28           HA       LEU  28  16.921  15.392  -9.534
  214   1HB   LEU  28          HB2       LEU  28  16.654  12.379  -9.242
  215   2HB   LEU  28          HB3       LEU  28  15.405  13.520  -8.754
  216    HG   LEU  28           HG       LEU  28  16.471  13.259 -11.592
  217   1HD1  LEU  28          HD11      LEU  28  13.825  12.320 -10.421
  218   2HD1  LEU  28          HD12      LEU  28  14.357  12.159 -12.110
  219   3HD1  LEU  28          HD13      LEU  28  15.197  11.264 -10.838
  220   1HD2  LEU  28          HD21      LEU  28  14.476  14.610 -12.209
  221   2HD2  LEU  28          HD22      LEU  28  14.142  14.878 -10.483
  222   3HD2  LEU  28          HD23      LEU  28  15.622  15.519 -11.237
  223    H    PHE  29           H        PHE  29  18.568  12.837  -7.602
  224    HA   PHE  29           HA       PHE  29  17.407  13.988  -5.186
  225   1HB   PHE  29          HB2       PHE  29  19.285  11.658  -5.698
  226   2HB   PHE  29          HB3       PHE  29  18.878  12.235  -4.083
  227    HD1  PHE  29           HD1      PHE  29  16.882  11.750  -2.974
  228    HD2  PHE  29           HD2      PHE  29  17.337  10.698  -7.126
  229    HE1  PHE  29           HE1      PHE  29  14.844  10.346  -2.838
  230    HE2  PHE  29           HE2      PHE  29  15.307   9.299  -6.988
  231    HZ   PHE  29           HZ       PHE  29  14.055   9.117  -4.849
  232    H    ASN  30           H        ASN  30  20.638  14.293  -6.752
  233    HA   ASN  30           HA       ASN  30  21.979  15.117  -4.402
  234   1HB   ASN  30          HB2       ASN  30  23.140  14.377  -6.403
  235   2HB   ASN  30          HB3       ASN  30  22.597  15.822  -7.276
  236   1HD2  ASN  30          HD22      ASN  30  24.311  17.244  -7.495
  237   2HD2  ASN  30          HD21      ASN  30  25.498  17.566  -6.260
  238    H    GLN  31           H        GLN  31  19.518  16.776  -6.099
  239    HA   GLN  31           HA       GLN  31  20.166  19.493  -5.652
  240   1HB   GLN  31          HB2       GLN  31  17.481  18.048  -5.581
  241   2HB   GLN  31          HB3       GLN  31  17.682  19.803  -5.601
  242   1HG   GLN  31          HG2       GLN  31  18.847  19.662  -7.790
  243   2HG   GLN  31          HG3       GLN  31  18.612  17.911  -7.799
  244   1HE2  GLN  31          HE22      GLN  31  16.294  17.123  -7.651
  245   2HE2  GLN  31          HE21      GLN  31  15.052  18.081  -8.448
  246    H    PHE  32           H        PHE  32  19.111  16.909  -3.412
  247    HA   PHE  32           HA       PHE  32  18.554  18.822  -1.262
  248   1HB   PHE  32          HB2       PHE  32  18.758  15.800  -1.098
  249   2HB   PHE  32          HB3       PHE  32  17.999  16.880   0.062
  250    HD1  PHE  32           HD1      PHE  32  16.049  18.467  -1.062
  251    HD2  PHE  32           HD2      PHE  32  17.374  14.669  -2.609
  252    HE1  PHE  32           HE1      PHE  32  13.995  18.297  -2.448
  253    HE2  PHE  32           HE2      PHE  32  15.336  14.505  -3.980
  254    HZ   PHE  32           HZ       PHE  32  13.668  16.331  -3.954
  255    HA   PRO  33           HA       PRO  33  22.893  18.815  -0.233
  256   1HB   PRO  33          HB2       PRO  33  22.907  20.229   2.108
  257   2HB   PRO  33          HB3       PRO  33  22.414  20.938   0.549
  258   1HG   PRO  33          HG2       PRO  33  20.609  19.776   2.694
  259   2HG   PRO  33          HG3       PRO  33  20.490  21.380   1.902
  260   1HD   PRO  33          HD2       PRO  33  19.044  19.231   1.042
  261   2HD   PRO  33          HD3       PRO  33  19.699  20.440  -0.102
  262    H    GLY  34           H        GLY  34  21.486  16.333   0.399
  263   1HA   GLY  34          HA2       GLY  34  23.173  15.314   2.616
  264   2HA   GLY  34          HA3       GLY  34  21.417  15.061   2.670
  265    H    PHE  35           H        PHE  35  21.995  14.906  -0.610
  266    HA   PHE  35           HA       PHE  35  21.794  12.092  -0.833
  267   1HB   PHE  35          HB2       PHE  35  21.114  13.585  -2.595
  268   2HB   PHE  35          HB3       PHE  35  22.690  14.375  -2.599
  269    HD1  PHE  35           HD1      PHE  35  20.796  11.445  -3.805
  270    HD2  PHE  35           HD2      PHE  35  24.651  13.365  -3.687
  271    HE1  PHE  35           HE1      PHE  35  21.486  10.175  -5.818
  272    HE2  PHE  35           HE2      PHE  35  25.383  11.979  -5.621
  273    HZ   PHE  35           HZ       PHE  35  23.779  10.455  -6.722
  274    H    LYS  36           H        LYS  36  23.347  10.614  -1.394
  275    HA   LYS  36           HA       LYS  36  26.198  11.375  -1.008
  276   1HB   LYS  36          HB2       LYS  36  24.833  10.457   1.086
  277   2HB   LYS  36          HB3       LYS  36  25.154   8.886   0.335
  278   1HG   LYS  36          HG2       LYS  36  27.601   9.413   0.401
  279   2HG   LYS  36          HG3       LYS  36  27.227  11.031   1.011
  280   1HD   LYS  36          HD2       LYS  36  27.978   9.659   2.859
  281   2HD   LYS  36          HD3       LYS  36  26.295  10.119   3.069
  282   1HE   LYS  36          HE2       LYS  36  26.509   7.818   3.735
  283   2HE   LYS  36          HE3       LYS  36  25.585   7.872   2.239
  284   1HZ   LYS  36          HZ1       LYS  36  28.401   7.035   2.586
  285   2HZ   LYS  36          HZ2       LYS  36  27.138   6.158   1.992
  286   3HZ   LYS  36          HZ3       LYS  36  27.782   7.361   1.104
  287    H    GLU  37           H        GLU  37  23.887   8.795  -2.177
  288    HA   GLU  37           HA       GLU  37  25.547   8.462  -4.497
  289   1HB   GLU  37          HB2       GLU  37  26.611   7.017  -2.464
  290   2HB   GLU  37          HB3       GLU  37  25.307   5.910  -2.860
  291   1HG   GLU  37          HG2       GLU  37  26.174   5.822  -5.228
  292   2HG   GLU  37          HG3       GLU  37  27.456   6.937  -4.771
  293    H    VAL  38           H        VAL  38  24.617   6.528  -5.837
  294    HA   VAL  38           HA       VAL  38  22.060   5.475  -5.092
  295    HB   VAL  38           HB       VAL  38  21.105   7.396  -6.024
  296   1HG1  VAL  38          HG11      VAL  38  22.993   7.266  -8.397
  297   2HG1  VAL  38          HG12      VAL  38  21.668   8.423  -8.171
  298   3HG1  VAL  38          HG13      VAL  38  23.047   8.440  -7.074
  299   1HG2  VAL  38          HG21      VAL  38  19.892   6.697  -7.915
  300   2HG2  VAL  38          HG22      VAL  38  21.155   5.582  -8.473
  301   3HG2  VAL  38          HG23      VAL  38  20.197   5.237  -7.016
  302    H    ARG  39           H        ARG  39  21.603   3.610  -6.303
  303    HA   ARG  39           HA       ARG  39  23.724   2.550  -8.097
  304   1HB   ARG  39          HB2       ARG  39  22.653   1.257  -5.539
  305   2HB   ARG  39          HB3       ARG  39  23.632   0.429  -6.756
  306   1HG   ARG  39          HG2       ARG  39  25.500   1.997  -6.359
  307   2HG   ARG  39          HG3       ARG  39  24.552   2.859  -5.139
  308   1HD   ARG  39          HD2       ARG  39  25.300  -0.081  -4.952
  309   2HD   ARG  39          HD3       ARG  39  26.224   1.223  -4.216
  310    HE   ARG  39           HE       ARG  39  23.647   0.135  -3.349
  311   1HH1  ARG  39          HH21      ARG  39  25.943   2.906  -2.933
  312   2HH1  ARG  39          HH22      ARG  39  25.350   3.176  -1.295
  313   1HH2  ARG  39          HH11      ARG  39  22.949   0.735  -1.173
  314   2HH2  ARG  39          HH12      ARG  39  23.765   2.082  -0.397
  315    H    LEU  40           H        LEU  40  22.538   2.164  -9.906
  316    HA   LEU  40           HA       LEU  40  19.704   1.377  -9.834
  317   1HB   LEU  40          HB2       LEU  40  21.797   1.837 -11.998
  318   2HB   LEU  40          HB3       LEU  40  20.369   0.903 -12.382
  319    HG   LEU  40           HG       LEU  40  20.271   3.318 -12.995
  320   1HD1  LEU  40          HD11      LEU  40  18.256   2.085 -13.012
  321   2HD1  LEU  40          HD12      LEU  40  18.125   2.084 -11.252
  322   3HD1  LEU  40          HD13      LEU  40  17.889   3.587 -12.148
  323   1HD2  LEU  40          HD21      LEU  40  19.790   3.874 -10.054
  324   2HD2  LEU  40          HD22      LEU  40  21.290   4.255 -10.928
  325   3HD2  LEU  40          HD23      LEU  40  19.772   5.030 -11.405
  326    H    VAL  41           H        VAL  41  19.168  -0.662 -11.030
  327    HA   VAL  41           HA       VAL  41  21.102  -2.868 -10.465
  328    HB   VAL  41           HB       VAL  41  18.072  -2.988 -10.705
  329   1HG1  VAL  41          HG11      VAL  41  19.144  -5.055 -11.514
  330   2HG1  VAL  41          HG12      VAL  41  20.127  -5.146 -10.033
  331   3HG1  VAL  41          HG13      VAL  41  18.363  -5.337  -9.958
  332   1HG2  VAL  41          HG21      VAL  41  18.685  -1.961  -8.573
  333   2HG2  VAL  41          HG22      VAL  41  18.177  -3.625  -8.284
  334   3HG2  VAL  41          HG23      VAL  41  19.905  -3.220  -8.277
  335    HA   PRO  42           HA       PRO  42  21.068  -1.842 -14.861
  336   1HB   PRO  42          HB2       PRO  42  23.547  -2.799 -15.643
  337   2HB   PRO  42          HB3       PRO  42  23.314  -1.338 -14.646
  338   1HG   PRO  42          HG2       PRO  42  23.852  -4.168 -13.678
  339   2HG   PRO  42          HG3       PRO  42  24.744  -2.668 -13.249
  340   1HD   PRO  42          HD2       PRO  42  22.777  -3.619 -11.651
  341   2HD   PRO  42          HD3       PRO  42  22.930  -1.857 -11.951
  342    H    ASN  43           H        ASN  43  19.858  -4.250 -13.884
  343    HA   ASN  43           HA       ASN  43  19.422  -5.526 -16.439
  344   1HB   ASN  43          HB2       ASN  43  19.366  -7.793 -15.637
  345   2HB   ASN  43          HB3       ASN  43  20.935  -7.113 -15.236
  346   1HD2  ASN  43          HD22      ASN  43  21.490  -6.852 -12.987
  347   2HD2  ASN  43          HD21      ASN  43  20.472  -7.463 -11.709
  348    H    ARG  44           H        ARG  44  18.163  -4.008 -13.678
  349    HA   ARG  44           HA       ARG  44  15.430  -4.385 -14.566
  350   1HB   ARG  44          HB2       ARG  44  16.471  -5.043 -11.769
  351   2HB   ARG  44          HB3       ARG  44  14.846  -4.430 -12.021
  352   1HG   ARG  44          HG2       ARG  44  15.885  -6.978 -13.282
  353   2HG   ARG  44          HG3       ARG  44  14.957  -6.887 -11.784
  354   1HD   ARG  44          HD2       ARG  44  13.991  -5.965 -14.515
  355   2HD   ARG  44          HD3       ARG  44  13.514  -7.466 -13.718
  356    HE   ARG  44           HE       ARG  44  12.719  -4.694 -13.103
  357   1HH1  ARG  44          HH21      ARG  44  12.550  -8.062 -11.959
  358   2HH1  ARG  44          HH22      ARG  44  11.233  -7.769 -10.886
  359   1HH2  ARG  44          HH11      ARG  44  10.966  -4.314 -11.790
  360   2HH2  ARG  44          HH12      ARG  44  10.303  -5.564 -10.771
  361    H    HIS  45           H        HIS  45  16.708  -2.350 -15.399
  362    HA   HIS  45           HA       HIS  45  17.491  -0.267 -13.735
  363   1HB   HIS  45          HB2       HIS  45  16.177  -0.207 -16.490
  364   2HB   HIS  45          HB3       HIS  45  16.908   1.196 -15.727
  365    HD1  HIS  45           HD1      HIS  45  19.437   1.528 -16.068
  366    HD2  HIS  45           HD2      HIS  45  17.997  -2.265 -17.181
  367    HE1  HIS  45           HE1      HIS  45  21.381   0.325 -17.214
  368    H    ASP  46           H        ASP  46  14.296  -1.524 -13.896
  369    HA   ASP  46           HA       ASP  46  12.850   0.987 -13.590
  370   1HB   ASP  46          HB2       ASP  46  10.888  -0.384 -13.438
  371   2HB   ASP  46          HB3       ASP  46  11.848  -0.913 -14.819
  372    H    ILE  47           H        ILE  47  14.813  -0.961 -11.562
  373    HA   ILE  47           HA       ILE  47  13.601   0.373  -9.216
  374    HB   ILE  47           HB       ILE  47  13.950  -1.497  -7.825
  375   1HG1  ILE  47          HG12      ILE  47  15.811  -2.414  -9.951
  376   2HG1  ILE  47          HG13      ILE  47  15.977  -2.416  -8.210
  377   1HG2  ILE  47          HG21      ILE  47  12.452  -3.158  -8.679
  378   2HG2  ILE  47          HG22      ILE  47  11.928  -1.597  -9.315
  379   3HG2  ILE  47          HG23      ILE  47  12.807  -2.720 -10.362
  380   1HD1  ILE  47          HD11      ILE  47  15.957  -4.659  -9.163
  381   2HD1  ILE  47          HD12      ILE  47  14.530  -4.424  -8.111
  382   3HD1  ILE  47          HD13      ILE  47  14.379  -4.358  -9.896
  383    H    ALA  48           H        ALA  48  15.218   0.667  -7.417
  384    HA   ALA  48           HA       ALA  48  18.059   0.664  -8.043
  385   1HB   ALA  48          HB1       ALA  48  17.236   2.709  -9.324
  386   2HB   ALA  48          HB2       ALA  48  16.640   3.365  -7.792
  387   3HB   ALA  48          HB3       ALA  48  18.375   3.097  -8.030
  388    H    PHE  49           H        PHE  49  19.263   1.901  -6.279
  389    HA   PHE  49           HA       PHE  49  17.747   2.162  -3.751
  390   1HB   PHE  49          HB2       PHE  49  20.475   0.870  -4.169
  391   2HB   PHE  49          HB3       PHE  49  19.935   1.483  -2.616
  392    HD1  PHE  49           HD1      PHE  49  18.319   0.325  -1.253
  393    HD2  PHE  49           HD2      PHE  49  19.331  -1.139  -5.186
  394    HE1  PHE  49           HE1      PHE  49  17.241  -1.851  -0.725
  395    HE2  PHE  49           HE2      PHE  49  18.232  -3.304  -4.662
  396    HZ   PHE  49           HZ       PHE  49  17.199  -3.668  -2.425
  397    H    VAL  50           H        VAL  50  18.397   4.020  -2.569
  398    HA   VAL  50           HA       VAL  50  20.426   5.813  -3.811
  399    HB   VAL  50           HB       VAL  50  17.620   6.568  -2.897
  400   1HG1  VAL  50          HG11      VAL  50  18.183   8.834  -3.730
  401   2HG1  VAL  50          HG12      VAL  50  19.206   8.367  -2.370
  402   3HG1  VAL  50          HG13      VAL  50  19.857   8.312  -4.023
  403   1HG2  VAL  50          HG21      VAL  50  17.623   5.487  -5.126
  404   2HG2  VAL  50          HG22      VAL  50  17.179   7.197  -5.198
  405   3HG2  VAL  50          HG23      VAL  50  18.804   6.687  -5.684
  406    H    GLU  51           H        GLU  51  21.528   7.141  -2.203
  407    HA   GLU  51           HA       GLU  51  21.168   6.223   0.601
  408   1HB   GLU  51          HB2       GLU  51  22.697   4.722  -0.549
  409   2HB   GLU  51          HB3       GLU  51  23.669   6.080  -1.136
  410   1HG   GLU  51          HG2       GLU  51  24.346   6.678   1.082
  411   2HG   GLU  51          HG3       GLU  51  23.229   5.521   1.821
  412    H    PHE  52           H        PHE  52  21.791   7.665   2.113
  413    HA   PHE  52           HA       PHE  52  22.487  10.429   1.265
  414   1HB   PHE  52          HB2       PHE  52  20.093   9.280   2.659
  415   2HB   PHE  52          HB3       PHE  52  20.700  10.784   3.289
  416    HD1  PHE  52           HD1      PHE  52  19.758   9.278  -0.058
  417    HD2  PHE  52           HD2      PHE  52  19.906  12.779   2.452
  418    HE1  PHE  52           HE1      PHE  52  18.692  10.614  -1.847
  419    HE2  PHE  52           HE2      PHE  52  18.785  14.098   0.679
  420    HZ   PHE  52           HZ       PHE  52  18.235  13.026  -1.495
  421    H    THR  53           H        THR  53  23.016  11.775   3.081
  422    HA   THR  53           HA       THR  53  24.956  10.742   4.931
  423    HB   THR  53           HB       THR  53  23.474  13.397   4.660
  424    HG1  THR  53           HG1      THR  53  24.768  12.956   2.910
  425   1HG2  THR  53          HG21      THR  53  25.353  14.365   5.992
  426   2HG2  THR  53          HG22      THR  53  24.291  13.297   6.919
  427   3HG2  THR  53          HG23      THR  53  25.881  12.707   6.387
  428    H    THR  54           H        THR  54  21.556  11.977   5.361
  429    HA   THR  54           HA       THR  54  21.466  10.624   7.990
  430    HB   THR  54           HB       THR  54  20.198  12.975   8.494
  431    HG1  THR  54           HG1      THR  54  21.502  14.642   7.708
  432   1HG2  THR  54          HG21      THR  54  22.241  13.701   9.657
  433   2HG2  THR  54          HG22      THR  54  21.920  11.976   9.897
  434   3HG2  THR  54          HG23      THR  54  23.185  12.487   8.761
  435    H    GLU  55           H        GLU  55  19.557  10.118   8.737
  436    HA   GLU  55           HA       GLU  55  17.664   9.121   6.915
  437   1HB   GLU  55          HB2       GLU  55  17.109   9.626   9.867
  438   2HB   GLU  55          HB3       GLU  55  16.380   8.431   8.805
  439   1HG   GLU  55          HG2       GLU  55  17.806   7.059   9.894
  440   2HG   GLU  55          HG3       GLU  55  18.887   7.538   8.596
  441    H    LEU  56           H        LEU  56  17.684  12.168   8.733
  442    HA   LEU  56           HA       LEU  56  14.937  12.891   8.205
  443   1HB   LEU  56          HB2       LEU  56  17.417  14.383   9.114
  444   2HB   LEU  56          HB3       LEU  56  15.993  15.272   8.586
  445    HG   LEU  56           HG       LEU  56  14.587  14.171  10.263
  446   1HD1  LEU  56          HD11      LEU  56  15.715  12.029  10.611
  447   2HD1  LEU  56          HD12      LEU  56  17.164  12.854  11.235
  448   3HD1  LEU  56          HD13      LEU  56  15.636  12.903  12.138
  449   1HD2  LEU  56          HD21      LEU  56  17.105  15.447  11.419
  450   2HD2  LEU  56          HD22      LEU  56  15.700  16.315  10.762
  451   3HD2  LEU  56          HD23      LEU  56  15.522  15.334  12.223
  452    H    GLN  57           H        GLN  57  18.029  13.353   6.449
  453    HA   GLN  57           HA       GLN  57  16.797  15.220   4.571
  454   1HB   GLN  57          HB2       GLN  57  19.514  13.838   4.510
  455   2HB   GLN  57          HB3       GLN  57  18.947  15.093   3.388
  456   1HG   GLN  57          HG2       GLN  57  18.514  16.536   5.506
  457   2HG   GLN  57          HG3       GLN  57  19.503  15.349   6.364
  458   1HE2  GLN  57          HE22      GLN  57  21.790  15.096   5.658
  459   2HE2  GLN  57          HE21      GLN  57  22.572  16.408   4.773
  460    H    SER  58           H        SER  58  17.673  11.681   4.546
  461    HA   SER  58           HA       SER  58  16.749  11.283   1.862
  462   1HB   SER  58          HB2       SER  58  16.415   8.932   2.636
  463   2HB   SER  58          HB3       SER  58  18.042   9.559   2.866
  464    HG   SER  58           HG       SER  58  16.790   8.390   4.675
  465    H    ASN  59           H        ASN  59  15.041  11.227   5.058
  466    HA   ASN  59           HA       ASN  59  12.503  10.560   4.042
  467   1HB   ASN  59          HB2       ASN  59  12.853  10.585   6.419
  468   2HB   ASN  59          HB3       ASN  59  13.295  12.287   6.404
  469   1HD2  ASN  59          HD22      ASN  59  11.680  13.619   7.144
  470   2HD2  ASN  59          HD21      ASN  59   9.973  13.309   6.967
  471    H    ALA  60           H        ALA  60  13.943  13.832   4.375
  472    HA   ALA  60           HA       ALA  60  11.714  15.202   3.277
  473   1HB   ALA  60          HB1       ALA  60  13.563  16.340   4.444
  474   2HB   ALA  60          HB2       ALA  60  14.663  15.953   3.097
  475   3HB   ALA  60          HB3       ALA  60  13.281  17.037   2.837
  476    H    ALA  61           H        ALA  61  14.534  13.744   1.634
  477    HA   ALA  61           HA       ALA  61  13.816  14.557  -1.002
  478   1HB   ALA  61          HB1       ALA  61  15.378  12.082  -0.136
  479   2HB   ALA  61          HB2       ALA  61  15.365  12.842  -1.739
  480   3HB   ALA  61          HB3       ALA  61  16.056  13.713  -0.352
  481    H    LYS  62           H        LYS  62  13.012  11.600   0.859
  482    HA   LYS  62           HA       LYS  62  11.536  10.232  -1.132
  483   1HB   LYS  62          HB2       LYS  62  12.306   9.147   0.860
  484   2HB   LYS  62          HB3       LYS  62  11.456  10.246   1.912
  485   1HG   LYS  62          HG2       LYS  62  10.051   8.252   0.095
  486   2HG   LYS  62          HG3       LYS  62  10.548   7.935   1.760
  487   1HD   LYS  62          HD2       LYS  62   9.160  10.068   2.372
  488   2HD   LYS  62          HD3       LYS  62   8.415   9.837   0.778
  489   1HE   LYS  62          HE2       LYS  62   7.950   7.410   1.539
  490   2HE   LYS  62          HE3       LYS  62   8.406   7.954   3.159
  491   1HZ   LYS  62          HZ1       LYS  62   6.672   9.757   2.824
  492   2HZ   LYS  62          HZ2       LYS  62   6.175   8.960   1.493
  493   3HZ   LYS  62          HZ3       LYS  62   6.060   8.227   2.964
  494    H    GLU  63           H        GLU  63  10.391  12.553   1.407
  495    HA   GLU  63           HA       GLU  63   7.694  12.555   0.557
  496   1HB   GLU  63          HB2       GLU  63   9.379  14.697   1.918
  497   2HB   GLU  63          HB3       GLU  63   7.639  14.837   1.699
  498   1HG   GLU  63          HG2       GLU  63   8.977  12.571   3.239
  499   2HG   GLU  63          HG3       GLU  63   8.374  14.049   3.970
  500    H    ALA  64           H        ALA  64  10.459  14.483  -0.559
  501    HA   ALA  64           HA       ALA  64   8.963  16.290  -2.177
  502   1HB   ALA  64          HB1       ALA  64  11.178  16.895  -3.078
  503   2HB   ALA  64          HB2       ALA  64  11.227  16.753  -1.307
  504   3HB   ALA  64          HB3       ALA  64  11.884  15.449  -2.328
  505    H    LEU  65           H        LEU  65  10.593  13.172  -2.980
  506    HA   LEU  65           HA       LEU  65   9.795  13.575  -5.828
  507   1HB   LEU  65          HB2       LEU  65  12.065  11.998  -4.584
  508   2HB   LEU  65          HB3       LEU  65  11.634  11.929  -6.289
  509    HG   LEU  65           HG       LEU  65  12.618  14.394  -4.817
  510   1HD1  LEU  65          HD11      LEU  65  14.345  12.683  -5.224
  511   2HD1  LEU  65          HD12      LEU  65  13.909  12.617  -6.937
  512   3HD1  LEU  65          HD13      LEU  65  14.618  14.098  -6.256
  513   1HD2  LEU  65          HD21      LEU  65  12.772  15.418  -7.095
  514   2HD2  LEU  65          HD22      LEU  65  11.899  14.023  -7.763
  515   3HD2  LEU  65          HD23      LEU  65  11.107  15.122  -6.608
  516    H    GLN  66           H        GLN  66   8.712  11.668  -3.202
  517    HA   GLN  66           HA       GLN  66   8.047   9.310  -4.673
  518   1HB   GLN  66          HB2       GLN  66   6.772  10.741  -2.335
  519   2HB   GLN  66          HB3       GLN  66   5.836   9.523  -3.204
  520   1HG   GLN  66          HG2       GLN  66   7.718   7.884  -2.895
  521   2HG   GLN  66          HG3       GLN  66   8.502   9.041  -1.829
  522   1HE2  GLN  66          HE22      GLN  66   7.325   6.291  -1.203
  523   2HE2  GLN  66          HE21      GLN  66   6.057   6.569  -0.042
  524    H    GLY  67           H        GLY  67   6.801   8.967  -6.355
  525   1HA   GLY  67          HA2       GLY  67   5.046   9.133  -7.818
  526   2HA   GLY  67          HA3       GLY  67   4.450  10.575  -6.992
  527    H    PHE  68           H        PHE  68   7.789  11.036  -7.707
  528    HA   PHE  68           HA       PHE  68   7.152  13.115  -9.592
  529   1HB   PHE  68          HB2       PHE  68   9.023  13.248  -7.992
  530   2HB   PHE  68          HB3       PHE  68   9.798  11.855  -8.742
  531    HD1  PHE  68           HD1      PHE  68   8.964  15.449  -9.134
  532    HD2  PHE  68           HD2      PHE  68  11.009  12.058 -10.852
  533    HE1  PHE  68           HE1      PHE  68  10.181  16.961 -10.681
  534    HE2  PHE  68           HE2      PHE  68  12.209  13.575 -12.403
  535    HZ   PHE  68           HZ       PHE  68  11.806  16.027 -12.318
  536    H    LYS  69           H        LYS  69   6.827  12.858 -11.752
  537    HA   LYS  69           HA       LYS  69   7.354  10.361 -13.143
  538   1HB   LYS  69          HB2       LYS  69   6.317  13.064 -13.926
  539   2HB   LYS  69          HB3       LYS  69   7.250  12.214 -15.156
  540   1HG   LYS  69          HG2       LYS  69   5.029  11.606 -15.540
  541   2HG   LYS  69          HG3       LYS  69   5.843  10.198 -14.870
  542   1HD   LYS  69          HD2       LYS  69   4.837  10.730 -12.623
  543   2HD   LYS  69          HD3       LYS  69   3.929  12.050 -13.409
  544   1HE   LYS  69          HE2       LYS  69   3.117  10.283 -15.097
  545   2HE   LYS  69          HE3       LYS  69   3.814   9.058 -14.036
  546   1HZ   LYS  69          HZ1       LYS  69   1.457   9.373 -13.586
  547   2HZ   LYS  69          HZ2       LYS  69   2.280   9.890 -12.276
  548   3HZ   LYS  69          HZ3       LYS  69   1.641  10.966 -13.325
  549    H    ILE  70           H        ILE  70   9.334   9.633 -13.356
  550    HA   ILE  70           HA       ILE  70  11.686  11.385 -13.709
  551    HB   ILE  70           HB       ILE  70  11.344   8.409 -14.145
  552   1HG1  ILE  70          HG12      ILE  70  12.614   9.891 -11.800
  553   2HG1  ILE  70          HG13      ILE  70  10.977   9.241 -11.774
  554   1HG2  ILE  70          HG21      ILE  70  13.252   9.428 -15.409
  555   2HG2  ILE  70          HG22      ILE  70  13.841  10.156 -13.902
  556   3HG2  ILE  70          HG23      ILE  70  13.838   8.392 -14.105
  557   1HD1  ILE  70          HD11      ILE  70  12.462   7.710 -10.664
  558   2HD1  ILE  70          HD12      ILE  70  11.811   6.967 -12.123
  559   3HD1  ILE  70          HD13      ILE  70  13.491   7.564 -12.091
  560    H    THR  71           H        THR  71   9.530   9.252 -15.725
  561    HA   THR  71           HA       THR  71   9.703  11.219 -17.891
  562    HB   THR  71           HB       THR  71   9.602   9.337 -19.541
  563    HG1  THR  71           HG1      THR  71  10.508   7.349 -18.824
  564   1HG2  THR  71          HG21      THR  71  11.994   8.889 -19.618
  565   2HG2  THR  71          HG22      THR  71  11.745  10.559 -19.088
  566   3HG2  THR  71          HG23      THR  71  12.174   9.307 -17.901
  567    HA   PRO  72           HA       PRO  72   5.513  11.534 -17.746
  568   1HB   PRO  72          HB2       PRO  72   5.131  10.171 -20.419
  569   2HB   PRO  72          HB3       PRO  72   4.336  11.653 -19.792
  570   1HG   PRO  72          HG2       PRO  72   6.473  11.893 -21.417
  571   2HG   PRO  72          HG3       PRO  72   6.387  12.895 -19.929
  572   1HD   PRO  72          HD2       PRO  72   7.945  10.362 -20.415
  573   2HD   PRO  72          HD3       PRO  72   8.450  11.853 -19.563
  574    H    THR  73           H        THR  73   6.379   8.159 -18.205
  575    HA   THR  73           HA       THR  73   3.759   7.334 -17.069
  576    HB   THR  73           HB       THR  73   4.192   5.193 -18.422
  577    HG1  THR  73           HG1      THR  73   6.296   5.396 -19.011
  578   1HG2  THR  73          HG21      THR  73   3.826   7.756 -20.039
  579   2HG2  THR  73          HG22      THR  73   3.327   6.115 -20.503
  580   3HG2  THR  73          HG23      THR  73   2.549   6.918 -19.130
  581    H    HIS  74           H        HIS  74   6.645   7.926 -15.908
  582    HA   HIS  74           HA       HIS  74   6.767   5.439 -14.272
  583   1HB   HIS  74          HB2       HIS  74   9.125   6.890 -15.515
  584   2HB   HIS  74          HB3       HIS  74   9.192   5.523 -14.397
  585    HD1  HIS  74           HD1      HIS  74   8.921   6.269 -18.026
  586    HD2  HIS  74           HD2      HIS  74   8.096   3.111 -15.373
  587    HE1  HIS  74           HE1      HIS  74   8.637   4.171 -19.471
  588    H    ALA  75           H        ALA  75   5.436   6.763 -12.937
  589    HA   ALA  75           HA       ALA  75   6.539   8.998 -11.448
  590   1HB   ALA  75          HB1       ALA  75   4.296   7.034 -10.776
  591   2HB   ALA  75          HB2       ALA  75   4.660   8.543  -9.919
  592   3HB   ALA  75          HB3       ALA  75   4.104   8.598 -11.595
  593    H    MET  76           H        MET  76   8.417   8.651 -10.426
  594    HA   MET  76           HA       MET  76   9.638   6.391  -9.477
  595   1HB   MET  76          HB2       MET  76  10.533   8.719  -9.676
  596   2HB   MET  76          HB3       MET  76   9.609   9.193  -8.258
  597   1HG   MET  76          HG2       MET  76  10.869   7.449  -6.953
  598   2HG   MET  76          HG3       MET  76  11.882   7.183  -8.374
  599   1HE   MET  76          HE1       MET  76  12.146  10.335  -9.444
  600   2HE   MET  76          HE2       MET  76  13.659  10.778  -8.625
  601   3HE   MET  76          HE3       MET  76  13.510   9.191  -9.403
  602    H    LYS  77           H        LYS  77   8.911   4.832  -8.049
  603    HA   LYS  77           HA       LYS  77   7.291   5.672  -5.687
  604   1HB   LYS  77          HB2       LYS  77   6.467   3.674  -6.833
  605   2HB   LYS  77          HB3       LYS  77   8.076   2.984  -6.870
  606   1HG   LYS  77          HG2       LYS  77   6.801   1.842  -5.189
  607   2HG   LYS  77          HG3       LYS  77   8.092   2.741  -4.417
  608   1HD   LYS  77          HD2       LYS  77   6.117   2.893  -3.082
  609   2HD   LYS  77          HD3       LYS  77   6.403   4.500  -3.765
  610   1HE   LYS  77          HE2       LYS  77   4.709   4.048  -5.536
  611   2HE   LYS  77          HE3       LYS  77   4.481   2.414  -4.903
  612   1HZ   LYS  77          HZ1       LYS  77   3.832   4.910  -3.434
  613   2HZ   LYS  77          HZ2       LYS  77   2.756   3.906  -4.127
  614   3HZ   LYS  77          HZ3       LYS  77   3.627   3.394  -2.851
  615    H    ILE  78           H        ILE  78   8.321   5.655  -3.669
  616    HA   ILE  78           HA       ILE  78  11.183   4.887  -3.487
  617    HB   ILE  78           HB       ILE  78   9.943   7.389  -2.279
  618   1HG1  ILE  78          HG12      ILE  78  11.881   7.350  -4.618
  619   2HG1  ILE  78          HG13      ILE  78  10.158   7.725  -4.721
  620   1HG2  ILE  78          HG21      ILE  78  11.749   6.454  -0.916
  621   2HG2  ILE  78          HG22      ILE  78  12.837   6.486  -2.313
  622   3HG2  ILE  78          HG23      ILE  78  12.232   7.985  -1.592
  623   1HD1  ILE  78          HD11      ILE  78  11.300   9.784  -4.713
  624   2HD1  ILE  78          HD12      ILE  78  10.544   9.632  -3.121
  625   3HD1  ILE  78          HD13      ILE  78  12.292   9.360  -3.319
  626    H    THR  79           H        THR  79  11.543   3.813  -1.536
  627    HA   THR  79           HA       THR  79   9.688   4.158   0.723
  628    HB   THR  79           HB       THR  79   9.901   1.644   1.094
  629    HG1  THR  79           HG1      THR  79  10.228   0.446  -0.853
  630   1HG2  THR  79          HG21      THR  79   7.799   2.728   0.203
  631   2HG2  THR  79          HG22      THR  79   8.361   2.375  -1.446
  632   3HG2  THR  79          HG23      THR  79   8.014   1.054  -0.323
  633    H    PHE  80           H        PHE  80  10.861   3.478   2.770
  634    HA   PHE  80           HA       PHE  80  13.713   4.100   2.636
  635   1HB   PHE  80          HB2       PHE  80  11.958   3.126   4.917
  636   2HB   PHE  80          HB3       PHE  80  13.650   3.585   5.067
  637    HD1  PHE  80           HD1      PHE  80  14.325   5.981   4.263
  638    HD2  PHE  80           HD2      PHE  80  10.267   4.804   5.120
  639    HE1  PHE  80           HE1      PHE  80  13.671   8.367   4.436
  640    HE2  PHE  80           HE2      PHE  80   9.620   7.186   5.325
  641    HZ   PHE  80           HZ       PHE  80  11.301   8.965   4.965
  642    H    ALA  81           H        ALA  81  15.335   2.679   2.418
  643    HA   ALA  81           HA       ALA  81  14.811  -0.206   2.068
  644   1HB   ALA  81          HB1       ALA  81  17.418   1.378   1.997
  645   2HB   ALA  81          HB2       ALA  81  17.217  -0.322   1.548
  646   3HB   ALA  81          HB3       ALA  81  16.448   0.928   0.574
  647    H    LYS  82           H        LYS  82  16.730  -1.509   3.319
  648    HA   LYS  82           HA       LYS  82  16.474  -0.801   6.212
  649   1HB   LYS  82          HB2       LYS  82  15.941  -3.494   4.882
  650   2HB   LYS  82          HB3       LYS  82  15.924  -3.184   6.625
  651   1HG   LYS  82          HG2       LYS  82  14.111  -1.518   6.316
  652   2HG   LYS  82          HG3       LYS  82  14.038  -1.875   4.599
  653   1HD   LYS  82          HD2       LYS  82  13.402  -3.805   6.855
  654   2HD   LYS  82          HD3       LYS  82  12.244  -3.038   5.775
  655   1HE   LYS  82          HE2       LYS  82  14.360  -5.088   4.981
  656   2HE   LYS  82          HE3       LYS  82  12.640  -5.398   5.190
  657   1HZ   LYS  82          HZ1       LYS  82  13.175  -5.129   2.874
  658   2HZ   LYS  82          HZ2       LYS  82  12.198  -3.899   3.306
  659   3HZ   LYS  82          HZ3       LYS  82  13.803  -3.646   3.099
  660    H    LYS  83           H        LYS  83  17.950  -2.316   7.547
  661    HA   LYS  83           HA       LYS  83  20.541  -2.790   6.201
  662   1HB   LYS  83          HB2       LYS  83  20.217  -1.153   8.755
  663   2HB   LYS  83          HB3       LYS  83  21.730  -1.609   7.968
  664   1HG   LYS  83          HG2       LYS  83  20.973  -0.281   5.935
  665   2HG   LYS  83          HG3       LYS  83  19.621   0.316   6.898
  666   1HD   LYS  83          HD2       LYS  83  22.587   0.756   7.388
  667   2HD   LYS  83          HD3       LYS  83  21.423   1.960   6.861
  668   1HE   LYS  83          HE2       LYS  83  21.507   0.604   9.597
  669   2HE   LYS  83          HE3       LYS  83  22.055   2.236   9.221
  670   1HZ   LYS  83          HZ1       LYS  83  19.253   1.289   9.132
  671   2HZ   LYS  83          HZ2       LYS  83  19.899   2.362  10.171
  672   3HZ   LYS  83          HZ3       LYS  83  19.723   2.765   8.595
  Start of MODEL    5
    1   1H    ALA   1          H1        ALA   1  11.899  -7.166   0.265
    2   2H    ALA   1          H2        ALA   1  11.306  -7.586   1.729
    3   3H    ALA   1          H3        ALA   1  11.056  -8.564   0.431
    4    HA   ALA   1           HA       ALA   1   9.710  -6.907  -0.637
    5   1HB   ALA   1          HB1       ALA   1   8.533  -8.545   0.783
    6   2HB   ALA   1          HB2       ALA   1   8.777  -7.510   2.209
    7   3HB   ALA   1          HB3       ALA   1   7.755  -6.955   0.868
    8    H    GLN   2           H        GLN   2   9.535  -4.764  -1.005
    9    HA   GLN   2           HA       GLN   2  10.765  -2.819   0.721
   10   1HB   GLN   2          HB2       GLN   2  10.088  -1.226  -0.877
   11   2HB   GLN   2          HB3       GLN   2  10.550  -2.662  -1.782
   12   1HG   GLN   2          HG2       GLN   2   8.068  -3.242  -1.931
   13   2HG   GLN   2          HG3       GLN   2   7.720  -1.662  -1.226
   14   1HE2  GLN   2          HE22      GLN   2   9.461   0.105  -2.570
   15   2HE2  GLN   2          HE21      GLN   2   9.129   0.022  -4.287
   16    H    THR   3           H        THR   3   9.666  -1.107   1.974
   17    HA   THR   3           HA       THR   3   6.788  -1.152   2.259
   18    HB   THR   3           HB       THR   3   8.250  -1.552   4.869
   19    HG1  THR   3           HG1      THR   3   7.625  -3.643   3.106
   20   1HG2  THR   3          HG21      THR   3   6.147  -2.658   5.542
   21   2HG2  THR   3          HG22      THR   3   5.844  -1.032   4.924
   22   3HG2  THR   3          HG23      THR   3   5.500  -2.442   3.900
   23    H    GLU   4           H        GLU   4   6.093   0.713   3.616
   24    HA   GLU   4           HA       GLU   4   8.083   2.892   3.754
   25   1HB   GLU   4          HB2       GLU   4   5.746   3.361   3.040
   26   2HB   GLU   4          HB3       GLU   4   5.145   2.777   4.600
   27   1HG   GLU   4          HG2       GLU   4   6.318   4.581   5.774
   28   2HG   GLU   4          HG3       GLU   4   7.142   5.063   4.290
   29    H    GLN   5           H        GLN   5   8.830   3.630   5.890
   30    HA   GLN   5           HA       GLN   5   8.415   1.859   8.210
   31   1HB   GLN   5          HB2       GLN   5  11.060   2.254   6.724
   32   2HB   GLN   5          HB3       GLN   5  10.948   1.526   8.306
   33   1HG   GLN   5          HG2       GLN   5   9.690   0.315   5.812
   34   2HG   GLN   5          HG3       GLN   5  11.280  -0.065   6.432
   35   1HE2  GLN   5          HE22      GLN   5   7.784  -0.254   7.226
   36   2HE2  GLN   5          HE21      GLN   5   7.960  -1.562   8.386
   37    HA   PRO   6           HA       PRO   6   9.989   5.636  10.361
   38   1HB   PRO   6          HB2       PRO   6  12.006   3.693  11.498
   39   2HB   PRO   6          HB3       PRO   6  11.131   5.018  12.327
   40   1HG   PRO   6          HG2       PRO   6  10.301   2.456  12.622
   41   2HG   PRO   6          HG3       PRO   6   9.095   3.755  12.348
   42   1HD   PRO   6          HD2       PRO   6  10.241   1.800  10.347
   43   2HD   PRO   6          HD3       PRO   6   8.541   2.316  10.566
   44    HA   PRO   7           HA       PRO   7  12.921   6.731   7.309
   45   1HB   PRO   7          HB2       PRO   7  14.347   8.301   9.474
   46   2HB   PRO   7          HB3       PRO   7  13.955   8.799   7.798
   47   1HG   PRO   7          HG2       PRO   7  12.380   9.594   9.844
   48   2HG   PRO   7          HG3       PRO   7  11.632   9.000   8.325
   49   1HD   PRO   7          HD2       PRO   7  12.005   7.527  10.936
   50   2HD   PRO   7          HD3       PRO   7  10.613   7.535   9.810
   51    H    ASN   8           H        ASN   8  14.885   6.202   6.372
   52    HA   ASN   8           HA       ASN   8  17.128   5.218   8.000
   53   1HB   ASN   8          HB2       ASN   8  15.895   3.130   7.337
   54   2HB   ASN   8          HB3       ASN   8  15.930   3.652   5.658
   55   1HD2  ASN   8          HD22      ASN   8  17.118   1.726   5.069
   56   2HD2  ASN   8          HD21      ASN   8  18.844   1.656   5.375
   57    H    GLN   9           H        GLN   9  19.137   5.518   6.826
   58    HA   GLN   9           HA       GLN   9  19.046   7.764   4.965
   59   1HB   GLN   9          HB2       GLN   9  21.371   7.943   5.278
   60   2HB   GLN   9          HB3       GLN   9  20.641   7.666   6.848
   61   1HG   GLN   9          HG2       GLN   9  21.317   5.254   6.723
   62   2HG   GLN   9          HG3       GLN   9  22.099   5.574   5.168
   63   1HE2  GLN   9          HE22      GLN   9  23.691   7.605   5.261
   64   2HE2  GLN   9          HE21      GLN   9  24.741   7.626   6.662
   65    H    ILE  10           H        ILE  10  18.284   4.764   4.208
   66    HA   ILE  10           HA       ILE  10  19.597   4.861   1.589
   67    HB   ILE  10           HB       ILE  10  19.328   2.256   3.138
   68   1HG1  ILE  10          HG12      ILE  10  21.840   3.904   2.654
   69   2HG1  ILE  10          HG13      ILE  10  21.084   3.559   4.212
   70   1HG2  ILE  10          HG21      ILE  10  20.785   2.849   0.519
   71   2HG2  ILE  10          HG22      ILE  10  20.554   1.255   1.272
   72   3HG2  ILE  10          HG23      ILE  10  19.180   2.104   0.607
   73   1HD1  ILE  10          HD11      ILE  10  22.984   2.153   4.028
   74   2HD1  ILE  10          HD12      ILE  10  21.548   1.118   3.867
   75   3HD1  ILE  10          HD13      ILE  10  22.507   1.566   2.431
   76    H    LEU  11           H        LEU  11  18.178   4.312   0.014
   77    HA   LEU  11           HA       LEU  11  15.308   3.856   0.721
   78   1HB   LEU  11          HB2       LEU  11  16.729   6.002  -0.817
   79   2HB   LEU  11          HB3       LEU  11  15.309   5.336  -1.599
   80    HG   LEU  11           HG       LEU  11  13.845   6.043   0.127
   81   1HD1  LEU  11          HD11      LEU  11  14.662   7.276   2.149
   82   2HD1  LEU  11          HD12      LEU  11  15.075   5.567   2.140
   83   3HD1  LEU  11          HD13      LEU  11  16.323   6.748   1.738
   84   1HD2  LEU  11          HD21      LEU  11  14.200   8.481   0.078
   85   2HD2  LEU  11          HD22      LEU  11  15.902   8.249  -0.365
   86   3HD2  LEU  11          HD23      LEU  11  14.619   7.776  -1.493
   87    H    PHE  12           H        PHE  12  14.148   2.746  -0.854
   88    HA   PHE  12           HA       PHE  12  15.666   1.437  -3.051
   89   1HB   PHE  12          HB2       PHE  12  15.125  -0.269  -1.376
   90   2HB   PHE  12          HB3       PHE  12  13.449   0.274  -1.317
   91    HD1  PHE  12           HD1      PHE  12  16.013  -0.917  -3.815
   92    HD2  PHE  12           HD2      PHE  12  11.854  -0.811  -2.703
   93    HE1  PHE  12           HE1      PHE  12  15.491  -2.513  -5.635
   94    HE2  PHE  12           HE2      PHE  12  11.335  -2.438  -4.503
   95    HZ   PHE  12           HZ       PHE  12  13.155  -3.293  -5.978
   96    H    LEU  13           H        LEU  13  14.658   1.665  -4.992
   97    HA   LEU  13           HA       LEU  13  12.238   3.408  -5.095
   98   1HB   LEU  13          HB2       LEU  13  15.024   3.750  -6.180
   99   2HB   LEU  13          HB3       LEU  13  13.724   4.040  -7.306
  100    HG   LEU  13           HG       LEU  13  12.671   5.648  -5.675
  101   1HD1  LEU  13          HD11      LEU  13  14.233   6.618  -3.958
  102   2HD1  LEU  13          HD12      LEU  13  13.749   4.953  -3.593
  103   3HD1  LEU  13          HD13      LEU  13  15.356   5.275  -4.258
  104   1HD2  LEU  13          HD21      LEU  13  14.060   6.327  -7.639
  105   2HD2  LEU  13          HD22      LEU  13  14.208   7.434  -6.278
  106   3HD2  LEU  13          HD23      LEU  13  15.507   6.272  -6.607
  107    H    THR  14           H        THR  14  10.913   3.077  -6.849
  108    HA   THR  14           HA       THR  14  11.333   0.721  -8.582
  109    HB   THR  14           HB       THR  14   8.779   0.315  -7.706
  110    HG1  THR  14           HG1      THR  14  10.201   1.483  -5.562
  111   1HG2  THR  14          HG21      THR  14  10.268  -1.470  -7.827
  112   2HG2  THR  14          HG22      THR  14  11.360  -0.771  -6.599
  113   3HG2  THR  14          HG23      THR  14   9.761  -1.410  -6.138
  114    H    ASN  15           H        ASN  15   9.424   0.475 -10.073
  115    HA   ASN  15           HA       ASN  15   8.273   1.182 -11.803
  116   1HB   ASN  15          HB2       ASN  15   6.643   1.783  -9.992
  117   2HB   ASN  15          HB3       ASN  15   7.263   3.436 -10.038
  118   1HD2  ASN  15          HD22      ASN  15   5.788   4.712 -11.108
  119   2HD2  ASN  15          HD21      ASN  15   4.843   4.209 -12.507
  120    H    LEU  16           H        LEU  16  10.976   2.080 -11.587
  121    HA   LEU  16           HA       LEU  16  11.168   4.839 -12.544
  122   1HB   LEU  16          HB2       LEU  16  13.319   2.720 -12.583
  123   2HB   LEU  16          HB3       LEU  16  13.528   4.457 -12.556
  124    HG   LEU  16           HG       LEU  16  12.499   2.752 -10.251
  125   1HD1  LEU  16          HD11      LEU  16  14.624   3.202  -9.210
  126   2HD1  LEU  16          HD12      LEU  16  14.892   2.457 -10.793
  127   3HD1  LEU  16          HD13      LEU  16  15.142   4.198 -10.592
  128   1HD2  LEU  16          HD21      LEU  16  11.586   5.153 -10.344
  129   2HD2  LEU  16          HD22      LEU  16  12.441   4.692  -8.893
  130   3HD2  LEU  16          HD23      LEU  16  13.275   5.678 -10.111
  131    HA   PRO  17           HA       PRO  17  11.057   4.069 -16.993
  132   1HB   PRO  17          HB2       PRO  17  13.842   5.179 -17.098
  133   2HB   PRO  17          HB3       PRO  17  12.431   5.545 -18.130
  134   1HG   PRO  17          HG2       PRO  17  13.227   7.194 -16.113
  135   2HG   PRO  17          HG3       PRO  17  11.495   6.957 -16.487
  136   1HD   PRO  17          HD2       PRO  17  13.056   5.878 -14.196
  137   2HD   PRO  17          HD3       PRO  17  11.333   6.274 -14.309
  138    H    GLU  18           H        GLU  18  11.729   2.403 -18.390
  139    HA   GLU  18           HA       GLU  18  13.482   0.333 -17.407
  140   1HB   GLU  18          HB2       GLU  18  12.962  -0.787 -19.497
  141   2HB   GLU  18          HB3       GLU  18  11.503  -0.144 -18.743
  142   1HG   GLU  18          HG2       GLU  18  11.570   1.804 -20.321
  143   2HG   GLU  18          HG3       GLU  18  12.989   1.094 -21.100
  144    H    GLU  19           H        GLU  19  14.363   3.257 -18.374
  145    HA   GLU  19           HA       GLU  19  16.882   2.415 -19.571
  146   1HB   GLU  19          HB2       GLU  19  15.373   4.956 -20.299
  147   2HB   GLU  19          HB3       GLU  19  16.845   4.335 -21.055
  148   1HG   GLU  19          HG2       GLU  19  15.484   2.319 -21.811
  149   2HG   GLU  19          HG3       GLU  19  14.042   3.171 -21.228
  150    H    THR  20           H        THR  20  15.830   3.308 -16.731
  151    HA   THR  20           HA       THR  20  16.994   5.833 -16.102
  152    HB   THR  20           HB       THR  20  16.605   3.452 -14.239
  153    HG1  THR  20           HG1      THR  20  14.649   3.701 -15.095
  154   1HG2  THR  20          HG21      THR  20  16.440   6.477 -13.779
  155   2HG2  THR  20          HG22      THR  20  16.061   5.230 -12.579
  156   3HG2  THR  20          HG23      THR  20  17.726   5.405 -13.163
  157    H    ASN  21           H        ASN  21  18.993   6.319 -15.115
  158    HA   ASN  21           HA       ASN  21  21.072   4.251 -15.031
  159   1HB   ASN  21          HB2       ASN  21  21.297   5.332 -17.269
  160   2HB   ASN  21          HB3       ASN  21  21.352   6.917 -16.493
  161   1HD2  ASN  21          HD22      ASN  21  23.494   7.384 -17.315
  162   2HD2  ASN  21          HD21      ASN  21  24.896   6.547 -16.704
  163    H    GLU  22           H        GLU  22  22.923   5.110 -13.673
  164    HA   GLU  22           HA       GLU  22  21.983   6.139 -11.222
  165   1HB   GLU  22          HB2       GLU  22  24.823   6.133 -12.338
  166   2HB   GLU  22          HB3       GLU  22  24.393   6.360 -10.632
  167   1HG   GLU  22          HG2       GLU  22  23.291   4.131 -10.639
  168   2HG   GLU  22          HG3       GLU  22  23.833   3.889 -12.310
  169    H    MET  23           H        MET  23  23.402   7.783 -13.951
  170    HA   MET  23           HA       MET  23  23.834  10.323 -12.733
  171   1HB   MET  23          HB2       MET  23  23.166   9.676 -15.630
  172   2HB   MET  23          HB3       MET  23  23.792  11.222 -15.051
  173   1HG   MET  23          HG2       MET  23  25.257   8.552 -14.922
  174   2HG   MET  23          HG3       MET  23  25.538   9.855 -16.062
  175   1HE   MET  23          HE1       MET  23  26.754   8.172 -12.977
  176   2HE   MET  23          HE2       MET  23  27.304   9.445 -11.868
  177   3HE   MET  23          HE3       MET  23  25.571   9.135 -12.062
  178    H    MET  24           H        MET  24  20.858   8.909 -14.063
  179    HA   MET  24           HA       MET  24  19.387  11.381 -14.216
  180   1HB   MET  24          HB2       MET  24  18.401   8.505 -13.944
  181   2HB   MET  24          HB3       MET  24  17.352   9.901 -14.170
  182   1HG   MET  24          HG2       MET  24  19.578   9.130 -16.069
  183   2HG   MET  24          HG3       MET  24  17.887   8.637 -16.247
  184   1HE   MET  24          HE1       MET  24  17.903   9.552 -18.730
  185   2HE   MET  24          HE2       MET  24  18.394  11.201 -19.174
  186   3HE   MET  24          HE3       MET  24  19.598  10.060 -18.537
  187    H    LEU  25           H        LEU  25  19.450   8.731 -11.814
  188    HA   LEU  25           HA       LEU  25  17.679  10.135 -10.024
  189   1HB   LEU  25          HB2       LEU  25  19.625   7.870  -9.421
  190   2HB   LEU  25          HB3       LEU  25  18.356   8.456  -8.338
  191    HG   LEU  25           HG       LEU  25  18.049   6.972 -10.957
  192   1HD1  LEU  25          HD11      LEU  25  17.198   6.386  -8.095
  193   2HD1  LEU  25          HD12      LEU  25  16.898   5.344  -9.506
  194   3HD1  LEU  25          HD13      LEU  25  18.556   5.646  -8.956
  195   1HD2  LEU  25          HD21      LEU  25  15.543   7.134 -10.470
  196   2HD2  LEU  25          HD22      LEU  25  15.937   8.424  -9.298
  197   3HD2  LEU  25          HD23      LEU  25  16.294   8.631 -11.030
  198    H    SER  26           H        SER  26  21.247  10.010 -10.348
  199    HA   SER  26           HA       SER  26  21.798  11.269  -7.837
  200   1HB   SER  26          HB2       SER  26  23.405  11.370 -10.429
  201   2HB   SER  26          HB3       SER  26  23.993  11.782  -8.806
  202    HG   SER  26           HG       SER  26  23.152   9.266  -9.812
  203    H    MET  27           H        MET  27  21.253  12.558 -11.157
  204    HA   MET  27           HA       MET  27  21.516  15.293 -10.499
  205   1HB   MET  27          HB2       MET  27  21.451  14.328 -12.786
  206   2HB   MET  27          HB3       MET  27  19.723  13.988 -12.596
  207   1HG   MET  27          HG2       MET  27  19.314  16.407 -12.247
  208   2HG   MET  27          HG3       MET  27  21.032  16.724 -12.501
  209   1HE   MET  27          HE1       MET  27  22.275  16.447 -14.809
  210   2HE   MET  27          HE2       MET  27  21.740  14.761 -15.021
  211   3HE   MET  27          HE3       MET  27  21.494  15.940 -16.323
  212    H    LEU  28           H        LEU  28  18.651  13.094 -10.299
  213    HA   LEU  28           HA       LEU  28  16.870  15.217  -9.546
  214   1HB   LEU  28          HB2       LEU  28  16.643  12.204  -9.224
  215   2HB   LEU  28          HB3       LEU  28  15.357  13.330  -8.802
  216    HG   LEU  28           HG       LEU  28  16.537  13.025 -11.589
  217   1HD1  LEU  28          HD11      LEU  28  15.219  11.055 -10.851
  218   2HD1  LEU  28          HD12      LEU  28  13.841  12.128 -10.503
  219   3HD1  LEU  28          HD13      LEU  28  14.432  11.935 -12.167
  220   1HD2  LEU  28          HD21      LEU  28  14.564  14.370 -12.312
  221   2HD2  LEU  28          HD22      LEU  28  14.194  14.698 -10.602
  222   3HD2  LEU  28          HD23      LEU  28  15.701  15.292 -11.342
  223    H    PHE  29           H        PHE  29  18.449  12.711  -7.488
  224    HA   PHE  29           HA       PHE  29  17.224  13.947  -5.149
  225   1HB   PHE  29          HB2       PHE  29  19.150  11.639  -5.531
  226   2HB   PHE  29          HB3       PHE  29  18.712  12.264  -3.942
  227    HD1  PHE  29           HD1      PHE  29  17.154  10.801  -7.032
  228    HD2  PHE  29           HD2      PHE  29  16.797  11.591  -2.811
  229    HE1  PHE  29           HE1      PHE  29  15.112   9.426  -6.942
  230    HE2  PHE  29           HE2      PHE  29  14.740  10.214  -2.723
  231    HZ   PHE  29           HZ       PHE  29  13.887   9.135  -4.794
  232    H    ASN  30           H        ASN  30  20.436  14.363  -6.671
  233    HA   ASN  30           HA       ASN  30  21.792  15.135  -4.331
  234   1HB   ASN  30          HB2       ASN  30  22.940  14.534  -6.335
  235   2HB   ASN  30          HB3       ASN  30  22.287  15.954  -7.187
  236   1HD2  ASN  30          HD22      ASN  30  23.816  17.595  -7.364
  237   2HD2  ASN  30          HD21      ASN  30  25.068  17.913  -6.197
  238    H    GLN  31           H        GLN  31  19.298  16.901  -5.955
  239    HA   GLN  31           HA       GLN  31  20.044  19.554  -5.346
  240   1HB   GLN  31          HB2       GLN  31  17.738  20.119  -5.598
  241   2HB   GLN  31          HB3       GLN  31  18.125  18.883  -6.794
  242   1HG   GLN  31          HG2       GLN  31  17.096  17.160  -5.263
  243   2HG   GLN  31          HG3       GLN  31  16.639  18.456  -4.163
  244   1HE2  GLN  31          HE21      GLN  31  15.741  16.762  -7.031
  245   2HE2  GLN  31          HE22      GLN  31  14.326  17.728  -7.433
  246    H    PHE  32           H        PHE  32  18.972  16.923  -3.228
  247    HA   PHE  32           HA       PHE  32  18.292  18.755  -1.038
  248   1HB   PHE  32          HB2       PHE  32  18.502  15.731  -1.000
  249   2HB   PHE  32          HB3       PHE  32  17.697  16.755   0.183
  250    HD1  PHE  32           HD1      PHE  32  15.794  18.400  -0.963
  251    HD2  PHE  32           HD2      PHE  32  17.150  14.630  -2.551
  252    HE1  PHE  32           HE1      PHE  32  13.778  18.265  -2.407
  253    HE2  PHE  32           HE2      PHE  32  15.152  14.499  -3.978
  254    HZ   PHE  32           HZ       PHE  32  13.491  16.331  -3.964
  255    HA   PRO  33           HA       PRO  33  22.591  18.781   0.094
  256   1HB   PRO  33          HB2       PRO  33  22.541  20.176   2.448
  257   2HB   PRO  33          HB3       PRO  33  22.076  20.884   0.882
  258   1HG   PRO  33          HG2       PRO  33  20.235  19.703   2.983
  259   2HG   PRO  33          HG3       PRO  33  20.115  21.300   2.181
  260   1HD   PRO  33          HD2       PRO  33  18.717  19.125   1.299
  261   2HD   PRO  33          HD3       PRO  33  19.376  20.346   0.168
  262    H    GLY  34           H        GLY  34  21.352  16.254   0.593
  263   1HA   GLY  34          HA2       GLY  34  23.068  15.252   2.786
  264   2HA   GLY  34          HA3       GLY  34  21.335  14.873   2.828
  265    H    PHE  35           H        PHE  35  21.874  14.891  -0.472
  266    HA   PHE  35           HA       PHE  35  21.808  12.101  -0.774
  267   1HB   PHE  35          HB2       PHE  35  21.026  13.681  -2.440
  268   2HB   PHE  35          HB3       PHE  35  22.602  14.467  -2.495
  269    HD1  PHE  35           HD1      PHE  35  24.461  13.550  -3.784
  270    HD2  PHE  35           HD2      PHE  35  20.671  11.504  -3.589
  271    HE1  PHE  35           HE1      PHE  35  25.130  12.106  -5.692
  272    HE2  PHE  35           HE2      PHE  35  21.321  10.116  -5.512
  273    HZ   PHE  35           HZ       PHE  35  23.570  10.376  -6.539
  274    H    LYS  36           H        LYS  36  23.387  10.673  -1.416
  275    HA   LYS  36           HA       LYS  36  26.217  11.614  -1.499
  276   1HB   LYS  36          HB2       LYS  36  25.324   9.024  -0.191
  277   2HB   LYS  36          HB3       LYS  36  26.991   9.537  -0.484
  278   1HG   LYS  36          HG2       LYS  36  26.513  11.573   0.992
  279   2HG   LYS  36          HG3       LYS  36  24.997  10.787   1.435
  280   1HD   LYS  36          HD2       LYS  36  27.835   9.833   1.955
  281   2HD   LYS  36          HD3       LYS  36  26.612  10.287   3.153
  282   1HE   LYS  36          HE2       LYS  36  25.249   8.310   2.531
  283   2HE   LYS  36          HE3       LYS  36  26.396   7.904   1.255
  284   1HZ   LYS  36          HZ1       LYS  36  26.804   6.526   3.047
  285   2HZ   LYS  36          HZ2       LYS  36  28.077   7.551   2.988
  286   3HZ   LYS  36          HZ3       LYS  36  26.932   7.754   4.147
  287    H    GLU  37           H        GLU  37  24.068   8.735  -2.274
  288    HA   GLU  37           HA       GLU  37  25.381   8.573  -4.928
  289   1HB   GLU  37          HB2       GLU  37  25.687   6.422  -2.768
  290   2HB   GLU  37          HB3       GLU  37  26.061   6.184  -4.472
  291   1HG   GLU  37          HG2       GLU  37  27.781   8.001  -4.319
  292   2HG   GLU  37          HG3       GLU  37  27.516   8.038  -2.568
  293    H    VAL  38           H        VAL  38  24.545   6.583  -6.144
  294    HA   VAL  38           HA       VAL  38  22.061   5.440  -5.119
  295    HB   VAL  38           HB       VAL  38  20.791   5.706  -7.076
  296   1HG1  VAL  38          HG11      VAL  38  20.939   7.764  -5.646
  297   2HG1  VAL  38          HG12      VAL  38  22.101   8.423  -6.825
  298   3HG1  VAL  38          HG13      VAL  38  20.439   8.055  -7.311
  299   1HG2  VAL  38          HG21      VAL  38  21.534   6.811  -9.139
  300   2HG2  VAL  38          HG22      VAL  38  23.193   6.891  -8.503
  301   3HG2  VAL  38          HG23      VAL  38  22.412   5.319  -8.825
  302    H    ARG  39           H        ARG  39  21.535   3.429  -6.387
  303    HA   ARG  39           HA       ARG  39  23.788   2.259  -7.906
  304   1HB   ARG  39          HB2       ARG  39  24.097   1.491  -5.576
  305   2HB   ARG  39          HB3       ARG  39  22.436   0.894  -5.533
  306   1HG   ARG  39          HG2       ARG  39  22.956  -0.706  -7.363
  307   2HG   ARG  39          HG3       ARG  39  24.627  -0.124  -7.405
  308   1HD   ARG  39          HD2       ARG  39  23.242  -1.405  -5.009
  309   2HD   ARG  39          HD3       ARG  39  24.324  -2.251  -6.127
  310    HE   ARG  39           HE       ARG  39  25.871  -0.167  -5.292
  311   1HH1  ARG  39          HH21      ARG  39  24.091  -2.694  -3.549
  312   2HH1  ARG  39          HH22      ARG  39  25.143  -2.695  -2.183
  313   1HH2  ARG  39          HH11      ARG  39  27.272  -0.157  -3.469
  314   2HH2  ARG  39          HH12      ARG  39  26.997  -1.224  -2.146
  315    H    LEU  40           H        LEU  40  22.785   1.984  -9.819
  316    HA   LEU  40           HA       LEU  40  19.907   1.388 -10.014
  317   1HB   LEU  40          HB2       LEU  40  22.105   2.237 -11.853
  318   2HB   LEU  40          HB3       LEU  40  21.062   1.027 -12.547
  319    HG   LEU  40           HG       LEU  40  20.387   3.323 -13.095
  320   1HD1  LEU  40          HD11      LEU  40  17.960   3.072 -12.536
  321   2HD1  LEU  40          HD12      LEU  40  18.714   1.652 -13.269
  322   3HD1  LEU  40          HD13      LEU  40  18.355   1.687 -11.527
  323   1HD2  LEU  40          HD21      LEU  40  19.481   4.868 -11.538
  324   2HD2  LEU  40          HD22      LEU  40  19.494   3.679 -10.219
  325   3HD2  LEU  40          HD23      LEU  40  21.012   4.315 -10.851
  326    H    VAL  41           H        VAL  41  19.331  -0.482 -11.422
  327    HA   VAL  41           HA       VAL  41  21.102  -2.857 -11.017
  328    HB   VAL  41           HB       VAL  41  18.095  -2.843 -11.260
  329   1HG1  VAL  41          HG11      VAL  41  18.319  -5.221 -10.589
  330   2HG1  VAL  41          HG12      VAL  41  19.145  -4.908 -12.114
  331   3HG1  VAL  41          HG13      VAL  41  20.086  -5.067 -10.612
  332   1HG2  VAL  41          HG21      VAL  41  18.196  -3.589  -8.826
  333   2HG2  VAL  41          HG22      VAL  41  19.908  -3.136  -8.816
  334   3HG2  VAL  41          HG23      VAL  41  18.652  -1.906  -9.080
  335    HA   PRO  42           HA       PRO  42  21.094  -1.641 -15.387
  336   1HB   PRO  42          HB2       PRO  42  23.659  -2.364 -16.083
  337   2HB   PRO  42          HB3       PRO  42  23.275  -0.908 -15.121
  338   1HG   PRO  42          HG2       PRO  42  24.052  -3.655 -14.079
  339   2HG   PRO  42          HG3       PRO  42  24.797  -2.072 -13.674
  340   1HD   PRO  42          HD2       PRO  42  22.900  -3.165 -12.090
  341   2HD   PRO  42          HD3       PRO  42  22.906  -1.403 -12.415
  342    H    ASN  43           H        ASN  43  20.018  -4.067 -14.330
  343    HA   ASN  43           HA       ASN  43  20.046  -5.702 -16.740
  344   1HB   ASN  43          HB2       ASN  43  19.883  -6.802 -13.898
  345   2HB   ASN  43          HB3       ASN  43  19.599  -7.738 -15.355
  346   1HD2  ASN  43          HD22      ASN  43  22.068  -6.419 -13.259
  347   2HD2  ASN  43          HD21      ASN  43  23.433  -7.047 -14.143
  348    H    ARG  44           H        ARG  44  18.291  -3.743 -14.533
  349    HA   ARG  44           HA       ARG  44  15.732  -4.673 -15.752
  350   1HB   ARG  44          HB2       ARG  44  16.452  -4.480 -12.818
  351   2HB   ARG  44          HB3       ARG  44  14.857  -3.972 -13.331
  352   1HG   ARG  44          HG2       ARG  44  14.527  -6.203 -14.461
  353   2HG   ARG  44          HG3       ARG  44  16.079  -6.719 -13.785
  354   1HD   ARG  44          HD2       ARG  44  14.246  -7.539 -12.416
  355   2HD   ARG  44          HD3       ARG  44  15.198  -6.363 -11.492
  356    HE   ARG  44           HE       ARG  44  13.228  -4.794 -12.576
  357   1HH1  ARG  44          HH21      ARG  44  13.081  -7.762 -10.617
  358   2HH1  ARG  44          HH22      ARG  44  11.573  -7.352  -9.887
  359   1HH2  ARG  44          HH11      ARG  44  11.287  -4.250 -11.653
  360   2HH2  ARG  44          HH12      ARG  44  10.507  -5.301 -10.505
  361    H    HIS  45           H        HIS  45  17.527  -2.089 -14.119
  362    HA   HIS  45           HA       HIS  45  17.396   0.063 -13.953
  363   1HB   HIS  45          HB2       HIS  45  15.728   0.148 -16.474
  364   2HB   HIS  45          HB3       HIS  45  16.676   1.453 -15.781
  365    HD1  HIS  45           HD1      HIS  45  16.959  -0.270 -18.712
  366    HD2  HIS  45           HD2      HIS  45  19.505   0.087 -15.379
  367    HE1  HIS  45           HE1      HIS  45  19.310  -0.846 -19.535
  368    H    ASP  46           H        ASP  46  14.235  -1.506 -14.152
  369    HA   ASP  46           HA       ASP  46  12.714   0.849 -13.551
  370   1HB   ASP  46          HB2       ASP  46  10.831  -0.480 -13.590
  371   2HB   ASP  46          HB3       ASP  46  11.898  -1.253 -14.757
  372    H    ILE  47           H        ILE  47  14.764  -0.926 -11.569
  373    HA   ILE  47           HA       ILE  47  13.595   0.380  -9.244
  374    HB   ILE  47           HB       ILE  47  13.775  -1.390  -7.787
  375   1HG1  ILE  47          HG12      ILE  47  15.957  -2.297  -8.343
  376   2HG1  ILE  47          HG13      ILE  47  14.753  -3.539  -8.067
  377   1HG2  ILE  47          HG21      ILE  47  12.746  -2.757 -10.293
  378   2HG2  ILE  47          HG22      ILE  47  12.333  -3.148  -8.609
  379   3HG2  ILE  47          HG23      ILE  47  11.842  -1.600  -9.331
  380   1HD1  ILE  47          HD11      ILE  47  14.597  -3.972 -10.478
  381   2HD1  ILE  47          HD12      ILE  47  15.796  -2.695 -10.789
  382   3HD1  ILE  47          HD13      ILE  47  16.241  -4.147  -9.864
  383    H    ALA  48           H        ALA  48  15.207   0.797  -7.555
  384    HA   ALA  48           HA       ALA  48  18.060   0.620  -8.194
  385   1HB   ALA  48          HB1       ALA  48  17.315   2.607  -9.548
  386   2HB   ALA  48          HB2       ALA  48  16.682   3.340  -8.055
  387   3HB   ALA  48          HB3       ALA  48  18.417   3.043  -8.230
  388    H    PHE  49           H        PHE  49  19.269   1.909  -6.463
  389    HA   PHE  49           HA       PHE  49  17.760   2.178  -3.929
  390   1HB   PHE  49          HB2       PHE  49  20.556   1.030  -4.295
  391   2HB   PHE  49          HB3       PHE  49  19.864   1.485  -2.752
  392    HD1  PHE  49           HD1      PHE  49  18.601  -0.058  -1.484
  393    HD2  PHE  49           HD2      PHE  49  19.337  -0.829  -5.673
  394    HE1  PHE  49           HE1      PHE  49  17.648  -2.344  -1.250
  395    HE2  PHE  49           HE2      PHE  49  18.304  -3.073  -5.458
  396    HZ   PHE  49           HZ       PHE  49  17.496  -3.851  -3.224
  397    H    VAL  50           H        VAL  50  18.581   3.911  -2.605
  398    HA   VAL  50           HA       VAL  50  20.482   5.831  -3.851
  399    HB   VAL  50           HB       VAL  50  17.685   6.411  -2.788
  400   1HG1  VAL  50          HG11      VAL  50  18.110   8.759  -3.470
  401   2HG1  VAL  50          HG12      VAL  50  19.145   8.234  -2.143
  402   3HG1  VAL  50          HG13      VAL  50  19.812   8.350  -3.783
  403   1HG2  VAL  50          HG21      VAL  50  17.214   7.247  -5.068
  404   2HG2  VAL  50          HG22      VAL  50  18.803   6.652  -5.602
  405   3HG2  VAL  50          HG23      VAL  50  17.566   5.516  -5.035
  406    H    GLU  51           H        GLU  51  21.694   6.992  -2.241
  407    HA   GLU  51           HA       GLU  51  21.273   6.168   0.580
  408   1HB   GLU  51          HB2       GLU  51  22.877   4.610  -0.334
  409   2HB   GLU  51          HB3       GLU  51  23.844   5.926  -1.036
  410   1HG   GLU  51          HG2       GLU  51  24.356   6.808   1.159
  411   2HG   GLU  51          HG3       GLU  51  23.298   5.633   1.949
  412    H    PHE  52           H        PHE  52  21.777   7.630   2.038
  413    HA   PHE  52           HA       PHE  52  22.521  10.391   1.224
  414   1HB   PHE  52          HB2       PHE  52  20.085   9.236   2.559
  415   2HB   PHE  52          HB3       PHE  52  20.692  10.722   3.226
  416    HD1  PHE  52           HD1      PHE  52  19.941   9.329  -0.215
  417    HD2  PHE  52           HD2      PHE  52  19.795  12.695   2.467
  418    HE1  PHE  52           HE1      PHE  52  18.872  10.694  -1.980
  419    HE2  PHE  52           HE2      PHE  52  18.678  14.045   0.715
  420    HZ   PHE  52           HZ       PHE  52  18.264  13.059  -1.529
  421    H    THR  53           H        THR  53  22.970  11.717   3.121
  422    HA   THR  53           HA       THR  53  24.961  10.627   4.899
  423    HB   THR  53           HB       THR  53  23.479  13.295   4.725
  424    HG1  THR  53           HG1      THR  53  24.714  12.913   2.935
  425   1HG2  THR  53          HG21      THR  53  25.381  14.226   6.043
  426   2HG2  THR  53          HG22      THR  53  24.346  13.123   6.962
  427   3HG2  THR  53          HG23      THR  53  25.926  12.559   6.372
  428    H    THR  54           H        THR  54  21.589  11.858   5.340
  429    HA   THR  54           HA       THR  54  21.473  10.515   7.971
  430    HB   THR  54           HB       THR  54  20.122  12.857   8.389
  431    HG1  THR  54           HG1      THR  54  21.518  14.514   7.676
  432   1HG2  THR  54          HG21      THR  54  23.098  12.392   8.800
  433   2HG2  THR  54          HG22      THR  54  22.102  13.602   9.648
  434   3HG2  THR  54          HG23      THR  54  21.784  11.876   9.880
  435    H    GLU  55           H        GLU  55  19.558   9.959   8.661
  436    HA   GLU  55           HA       GLU  55  17.841   8.787   6.737
  437   1HB   GLU  55          HB2       GLU  55  17.089   9.289   9.653
  438   2HB   GLU  55          HB3       GLU  55  16.532   8.022   8.575
  439   1HG   GLU  55          HG2       GLU  55  17.934   6.819   9.849
  440   2HG   GLU  55          HG3       GLU  55  19.064   7.267   8.577
  441    H    LEU  56           H        LEU  56  17.599  11.739   8.628
  442    HA   LEU  56           HA       LEU  56  14.824  12.272   8.040
  443   1HB   LEU  56          HB2       LEU  56  17.075  14.095   8.959
  444   2HB   LEU  56          HB3       LEU  56  15.343  14.488   8.982
  445    HG   LEU  56           HG       LEU  56  16.870  12.477  10.679
  446   1HD1  LEU  56          HD11      LEU  56  15.066  14.811  11.428
  447   2HD1  LEU  56          HD12      LEU  56  15.980  13.776  12.548
  448   3HD1  LEU  56          HD13      LEU  56  16.844  14.829  11.417
  449   1HD2  LEU  56          HD21      LEU  56  13.842  12.677  10.446
  450   2HD2  LEU  56          HD22      LEU  56  14.867  11.254  10.110
  451   3HD2  LEU  56          HD23      LEU  56  14.711  11.846  11.758
  452    H    GLN  57           H        GLN  57  17.905  12.983   6.391
  453    HA   GLN  57           HA       GLN  57  16.633  14.956   4.633
  454   1HB   GLN  57          HB2       GLN  57  19.398  13.680   4.522
  455   2HB   GLN  57          HB3       GLN  57  18.789  14.968   3.465
  456   1HG   GLN  57          HG2       GLN  57  18.272  16.244   5.699
  457   2HG   GLN  57          HG3       GLN  57  19.374  15.082   6.440
  458   1HE2  GLN  57          HE22      GLN  57  21.669  15.101   5.691
  459   2HE2  GLN  57          HE21      GLN  57  22.294  16.514   4.834
  460    H    SER  58           H        SER  58  17.606  11.438   4.421
  461    HA   SER  58           HA       SER  58  16.661  11.177   1.719
  462   1HB   SER  58          HB2       SER  58  16.314   8.755   2.496
  463   2HB   SER  58          HB3       SER  58  17.955   9.381   2.420
  464    HG   SER  58           HG       SER  58  16.940   8.230   4.456
  465    H    ASN  59           H        ASN  59  15.025  10.914   4.936
  466    HA   ASN  59           HA       ASN  59  12.478  10.233   3.946
  467   1HB   ASN  59          HB2       ASN  59  12.911  10.189   6.322
  468   2HB   ASN  59          HB3       ASN  59  13.258  11.914   6.349
  469   1HD2  ASN  59          HD22      ASN  59  11.575  13.194   7.056
  470   2HD2  ASN  59          HD21      ASN  59   9.890  12.769   6.929
  471    H    ALA  60           H        ALA  60  13.832  13.535   4.436
  472    HA   ALA  60           HA       ALA  60  11.582  14.893   3.373
  473   1HB   ALA  60          HB1       ALA  60  13.406  16.031   4.572
  474   2HB   ALA  60          HB2       ALA  60  14.510  15.716   3.208
  475   3HB   ALA  60          HB3       ALA  60  13.101  16.774   2.989
  476    H    ALA  61           H        ALA  61  14.433  13.578   1.662
  477    HA   ALA  61           HA       ALA  61  13.673  14.443  -0.934
  478   1HB   ALA  61          HB1       ALA  61  15.270  11.953  -0.198
  479   2HB   ALA  61          HB2       ALA  61  15.237  12.803  -1.753
  480   3HB   ALA  61          HB3       ALA  61  15.936  13.599  -0.326
  481    H    LYS  62           H        LYS  62  12.826  11.439   0.862
  482    HA   LYS  62           HA       LYS  62  11.366  10.160  -1.207
  483   1HB   LYS  62          HB2       LYS  62  11.928   8.931   0.799
  484   2HB   LYS  62          HB3       LYS  62  11.104  10.097   1.822
  485   1HG   LYS  62          HG2       LYS  62   8.917   9.452   0.747
  486   2HG   LYS  62          HG3       LYS  62   9.780   8.160  -0.101
  487   1HD   LYS  62          HD2       LYS  62  10.422   7.154   2.036
  488   2HD   LYS  62          HD3       LYS  62   9.723   8.508   2.935
  489   1HE   LYS  62          HE2       LYS  62   8.144   6.618   1.131
  490   2HE   LYS  62          HE3       LYS  62   8.282   6.472   2.893
  491   1HZ   LYS  62          HZ1       LYS  62   6.781   8.452   1.354
  492   2HZ   LYS  62          HZ2       LYS  62   6.345   7.604   2.690
  493   3HZ   LYS  62          HZ3       LYS  62   7.349   8.922   2.799
  494    H    GLU  63           H        GLU  63  10.177  12.381   1.409
  495    HA   GLU  63           HA       GLU  63   7.519  12.386   0.434
  496   1HB   GLU  63          HB2       GLU  63   8.981  14.577   1.974
  497   2HB   GLU  63          HB3       GLU  63   7.236  14.465   1.770
  498   1HG   GLU  63          HG2       GLU  63   9.019  12.556   3.321
  499   2HG   GLU  63          HG3       GLU  63   7.849  13.676   3.972
  500    H    ALA  64           H        ALA  64  10.310  14.340  -0.513
  501    HA   ALA  64           HA       ALA  64   8.884  16.231  -2.109
  502   1HB   ALA  64          HB1       ALA  64  11.153  16.590  -1.178
  503   2HB   ALA  64          HB2       ALA  64  11.780  15.310  -2.247
  504   3HB   ALA  64          HB3       ALA  64  11.121  16.804  -2.944
  505    H    LEU  65           H        LEU  65  10.443  13.075  -2.959
  506    HA   LEU  65           HA       LEU  65   9.666  13.565  -5.802
  507   1HB   LEU  65          HB2       LEU  65  11.914  11.912  -4.617
  508   2HB   LEU  65          HB3       LEU  65  11.490  11.944  -6.323
  509    HG   LEU  65           HG       LEU  65  12.521  14.298  -4.712
  510   1HD1  LEU  65          HD11      LEU  65  14.222  12.607  -5.247
  511   2HD1  LEU  65          HD12      LEU  65  13.751  12.632  -6.954
  512   3HD1  LEU  65          HD13      LEU  65  14.492  14.067  -6.215
  513   1HD2  LEU  65          HD21      LEU  65  11.763  14.143  -7.665
  514   2HD2  LEU  65          HD22      LEU  65  11.001  15.172  -6.429
  515   3HD2  LEU  65          HD23      LEU  65  12.666  15.474  -6.912
  516    H    GLN  66           H        GLN  66   8.550  11.607  -3.247
  517    HA   GLN  66           HA       GLN  66   7.885   9.273  -4.783
  518   1HB   GLN  66          HB2       GLN  66   6.601  10.632  -2.400
  519   2HB   GLN  66          HB3       GLN  66   5.716   9.382  -3.281
  520   1HG   GLN  66          HG2       GLN  66   7.651   7.816  -2.991
  521   2HG   GLN  66          HG3       GLN  66   8.418   9.003  -1.940
  522   1HE2  GLN  66          HE22      GLN  66   7.128   6.153  -1.455
  523   2HE2  GLN  66          HE21      GLN  66   5.964   6.442  -0.198
  524    H    GLY  67           H        GLY  67   6.650   9.008  -6.496
  525   1HA   GLY  67          HA2       GLY  67   4.860   9.252  -7.923
  526   2HA   GLY  67          HA3       GLY  67   4.352  10.728  -7.099
  527    H    PHE  68           H        PHE  68   7.690  11.068  -7.772
  528    HA   PHE  68           HA       PHE  68   7.149  13.145  -9.678
  529   1HB   PHE  68          HB2       PHE  68   8.987  13.230  -8.037
  530   2HB   PHE  68          HB3       PHE  68   9.744  11.821  -8.772
  531    HD1  PHE  68           HD1      PHE  68  10.996  11.993 -10.863
  532    HD2  PHE  68           HD2      PHE  68   9.019  15.435  -9.164
  533    HE1  PHE  68           HE1      PHE  68  12.264  13.481 -12.387
  534    HE2  PHE  68           HE2      PHE  68  10.306  16.918 -10.683
  535    HZ   PHE  68           HZ       PHE  68  11.931  15.944 -12.298
  536    H    LYS  69           H        LYS  69   6.854  12.903 -11.838
  537    HA   LYS  69           HA       LYS  69   7.362  10.417 -13.260
  538   1HB   LYS  69          HB2       LYS  69   6.406  13.164 -14.009
  539   2HB   LYS  69          HB3       LYS  69   7.320  12.301 -15.242
  540   1HG   LYS  69          HG2       LYS  69   5.050  11.811 -15.629
  541   2HG   LYS  69          HG3       LYS  69   5.851  10.355 -15.056
  542   1HD   LYS  69          HD2       LYS  69   4.927  10.864 -12.734
  543   2HD   LYS  69          HD3       LYS  69   3.931  12.118 -13.480
  544   1HE   LYS  69          HE2       LYS  69   4.001   9.181 -14.331
  545   2HE   LYS  69          HE3       LYS  69   2.840   9.836 -13.163
  546   1HZ   LYS  69          HZ1       LYS  69   3.008  10.488 -16.041
  547   2HZ   LYS  69          HZ2       LYS  69   1.776   9.791 -15.246
  548   3HZ   LYS  69          HZ3       LYS  69   2.094  11.366 -14.980
  549    H    ILE  70           H        ILE  70   9.361   9.655 -13.423
  550    HA   ILE  70           HA       ILE  70  11.727  11.395 -13.724
  551    HB   ILE  70           HB       ILE  70  11.377   8.424 -14.187
  552   1HG1  ILE  70          HG12      ILE  70  12.516   9.936 -11.798
  553   2HG1  ILE  70          HG13      ILE  70  10.938   9.145 -11.844
  554   1HG2  ILE  70          HG21      ILE  70  13.882  10.148 -13.880
  555   2HG2  ILE  70          HG22      ILE  70  13.861   8.389 -14.131
  556   3HG2  ILE  70          HG23      ILE  70  13.302   9.467 -15.410
  557   1HD1  ILE  70          HD11      ILE  70  12.459   7.716 -10.687
  558   2HD1  ILE  70          HD12      ILE  70  12.028   6.957 -12.218
  559   3HD1  ILE  70          HD13      ILE  70  13.621   7.732 -12.017
  560    H    THR  71           H        THR  71   9.573   9.293 -15.765
  561    HA   THR  71           HA       THR  71   9.814  11.252 -17.932
  562    HB   THR  71           HB       THR  71   9.720   9.404 -19.591
  563    HG1  THR  71           HG1      THR  71  10.460   7.353 -18.891
  564   1HG2  THR  71          HG21      THR  71  12.226   9.214 -17.863
  565   2HG2  THR  71          HG22      THR  71  12.086   8.822 -19.589
  566   3HG2  THR  71          HG23      THR  71  11.907  10.498 -19.050
  567    HA   PRO  72           HA       PRO  72   5.630  11.630 -17.829
  568   1HB   PRO  72          HB2       PRO  72   5.252  10.275 -20.508
  569   2HB   PRO  72          HB3       PRO  72   4.475  11.770 -19.888
  570   1HG   PRO  72          HG2       PRO  72   6.628  11.974 -21.498
  571   2HG   PRO  72          HG3       PRO  72   6.545  12.980 -20.013
  572   1HD   PRO  72          HD2       PRO  72   8.071  10.423 -20.481
  573   2HD   PRO  72          HD3       PRO  72   8.590  11.908 -19.628
  574    H    THR  73           H        THR  73   6.461   8.246 -18.380
  575    HA   THR  73           HA       THR  73   3.843   7.401 -17.278
  576    HB   THR  73           HB       THR  73   4.413   5.276 -18.655
  577    HG1  THR  73           HG1      THR  73   5.890   5.570 -20.298
  578   1HG2  THR  73          HG21      THR  73   2.691   6.935 -19.349
  579   2HG2  THR  73          HG22      THR  73   3.940   7.867 -20.203
  580   3HG2  THR  73          HG23      THR  73   3.534   6.220 -20.731
  581    H    HIS  74           H        HIS  74   6.726   7.978 -16.054
  582    HA   HIS  74           HA       HIS  74   6.816   5.476 -14.432
  583   1HB   HIS  74          HB2       HIS  74   9.175   6.937 -15.655
  584   2HB   HIS  74          HB3       HIS  74   9.250   5.597 -14.505
  585    HD1  HIS  74           HD1      HIS  74   8.804   6.273 -18.169
  586    HD2  HIS  74           HD2      HIS  74   8.293   3.137 -15.413
  587    HE1  HIS  74           HE1      HIS  74   8.519   4.139 -19.554
  588    H    ALA  75           H        ALA  75   5.438   6.826 -13.125
  589    HA   ALA  75           HA       ALA  75   6.539   9.037 -11.597
  590   1HB   ALA  75          HB1       ALA  75   4.101   8.691 -11.738
  591   2HB   ALA  75          HB2       ALA  75   4.262   7.091 -10.982
  592   3HB   ALA  75          HB3       ALA  75   4.655   8.559 -10.067
  593    H    MET  76           H        MET  76   8.393   8.667 -10.545
  594    HA   MET  76           HA       MET  76   9.577   6.383  -9.574
  595   1HB   MET  76          HB2       MET  76  10.505   8.701  -9.731
  596   2HB   MET  76          HB3       MET  76   9.517   9.189  -8.361
  597   1HG   MET  76          HG2       MET  76  10.707   7.462  -6.977
  598   2HG   MET  76          HG3       MET  76  11.782   7.165  -8.346
  599   1HE   MET  76          HE1       MET  76  12.166  10.230  -9.502
  600   2HE   MET  76          HE2       MET  76  13.612  10.716  -8.596
  601   3HE   MET  76          HE3       MET  76  13.521   9.091  -9.298
  602    H    LYS  77           H        LYS  77   8.957   4.882  -8.060
  603    HA   LYS  77           HA       LYS  77   7.237   5.759  -5.789
  604   1HB   LYS  77          HB2       LYS  77   6.426   3.822  -7.149
  605   2HB   LYS  77          HB3       LYS  77   7.926   2.955  -6.781
  606   1HG   LYS  77          HG2       LYS  77   7.394   2.971  -4.390
  607   2HG   LYS  77          HG3       LYS  77   6.017   4.042  -4.671
  608   1HD   LYS  77          HD2       LYS  77   5.158   1.854  -4.279
  609   2HD   LYS  77          HD3       LYS  77   4.903   2.225  -5.991
  610   1HE   LYS  77          HE2       LYS  77   6.898   0.875  -6.585
  611   2HE   LYS  77          HE3       LYS  77   7.226   0.589  -4.878
  612   1HZ   LYS  77          HZ1       LYS  77   6.115  -1.299  -5.815
  613   2HZ   LYS  77          HZ2       LYS  77   5.097  -0.608  -4.750
  614   3HZ   LYS  77          HZ3       LYS  77   4.857  -0.405  -6.354
  615    H    ILE  78           H        ILE  78   8.144   5.442  -3.692
  616    HA   ILE  78           HA       ILE  78  11.032   4.782  -3.526
  617    HB   ILE  78           HB       ILE  78   9.731   7.219  -2.263
  618   1HG1  ILE  78          HG12      ILE  78  11.704   7.219  -4.572
  619   2HG1  ILE  78          HG13      ILE  78   9.986   7.601  -4.693
  620   1HG2  ILE  78          HG21      ILE  78  12.027   7.843  -1.552
  621   2HG2  ILE  78          HG22      ILE  78  11.491   6.340  -0.849
  622   3HG2  ILE  78          HG23      ILE  78  12.620   6.312  -2.210
  623   1HD1  ILE  78          HD11      ILE  78  10.360   9.514  -3.109
  624   2HD1  ILE  78          HD12      ILE  78  12.110   9.227  -3.269
  625   3HD1  ILE  78          HD13      ILE  78  11.146   9.653  -4.684
  626    H    THR  79           H        THR  79  11.509   3.792  -1.620
  627    HA   THR  79           HA       THR  79   9.650   3.700   0.647
  628    HB   THR  79           HB       THR  79  10.355   1.101   0.617
  629    HG1  THR  79           HG1      THR  79  11.284   1.679  -1.660
  630   1HG2  THR  79          HG21      THR  79   8.017   1.988   0.669
  631   2HG2  THR  79          HG22      THR  79   8.054   2.111  -1.103
  632   3HG2  THR  79          HG23      THR  79   8.189   0.526  -0.312
  633    H    PHE  80           H        PHE  80  10.941   2.848   2.596
  634    HA   PHE  80           HA       PHE  80  13.740   3.755   2.412
  635   1HB   PHE  80          HB2       PHE  80  12.095   2.601   4.687
  636   2HB   PHE  80          HB3       PHE  80  13.799   3.021   4.814
  637    HD1  PHE  80           HD1      PHE  80  10.419   4.327   4.913
  638    HD2  PHE  80           HD2      PHE  80  14.538   5.431   4.313
  639    HE1  PHE  80           HE1      PHE  80   9.837   6.708   5.299
  640    HE2  PHE  80           HE2      PHE  80  13.952   7.818   4.653
  641    HZ   PHE  80           HZ       PHE  80  11.590   8.452   5.146
  642    H    ALA  81           H        ALA  81  15.507   2.372   2.417
  643    HA   ALA  81           HA       ALA  81  15.030  -0.438   1.622
  644   1HB   ALA  81          HB1       ALA  81  17.617   1.063   2.202
  645   2HB   ALA  81          HB2       ALA  81  17.485  -0.564   1.516
  646   3HB   ALA  81          HB3       ALA  81  16.906   0.828   0.583
  647    H    LYS  82           H        LYS  82  15.831  -2.176   3.018
  648    HA   LYS  82           HA       LYS  82  15.615  -1.479   5.926
  649   1HB   LYS  82          HB2       LYS  82  14.288  -3.655   4.284
  650   2HB   LYS  82          HB3       LYS  82  14.364  -3.688   6.052
  651   1HG   LYS  82          HG2       LYS  82  12.980  -1.808   6.313
  652   2HG   LYS  82          HG3       LYS  82  13.306  -1.182   4.711
  653   1HD   LYS  82          HD2       LYS  82  11.029  -2.026   4.777
  654   2HD   LYS  82          HD3       LYS  82  12.005  -2.988   3.664
  655   1HE   LYS  82          HE2       LYS  82  12.302  -4.703   5.503
  656   2HE   LYS  82          HE3       LYS  82  11.193  -3.759   6.506
  657   1HZ   LYS  82          HZ1       LYS  82  10.508  -4.969   3.877
  658   2HZ   LYS  82          HZ2       LYS  82  10.060  -5.559   5.342
  659   3HZ   LYS  82          HZ3       LYS  82   9.473  -4.128   4.801
  660    H    LYS  83           H        LYS  83  17.694  -1.534   6.405
  661    HA   LYS  83           HA       LYS  83  19.732  -3.163   5.353
  662   1HB   LYS  83          HB2       LYS  83  19.495  -1.833   8.082
  663   2HB   LYS  83          HB3       LYS  83  20.988  -2.496   7.414
  664   1HG   LYS  83          HG2       LYS  83  20.978  -0.914   5.567
  665   2HG   LYS  83          HG3       LYS  83  19.394  -0.295   6.022
  666   1HD   LYS  83          HD2       LYS  83  21.954   0.032   7.633
  667   2HD   LYS  83          HD3       LYS  83  21.141   1.260   6.653
  668   1HE   LYS  83          HE2       LYS  83  19.057   0.765   8.181
  669   2HE   LYS  83          HE3       LYS  83  20.230   0.006   9.266
  670   1HZ   LYS  83          HZ1       LYS  83  21.426   2.192   9.224
  671   2HZ   LYS  83          HZ2       LYS  83  20.152   2.823   8.378
  672   3HZ   LYS  83          HZ3       LYS  83  19.940   2.268   9.895
  Start of MODEL    6
    1   1H    ALA   1          H1        ALA   1   9.360  -7.656  -1.585
    2   2H    ALA   1          H2        ALA   1   7.864  -7.196  -1.109
    3   3H    ALA   1          H3        ALA   1   8.039  -8.286  -2.323
    4    HA   ALA   1           HA       ALA   1   9.069  -6.693  -3.735
    5   1HB   ALA   1          HB1       ALA   1   7.148  -5.199  -4.170
    6   2HB   ALA   1          HB2       ALA   1   6.654  -6.887  -3.965
    7   3HB   ALA   1          HB3       ALA   1   6.387  -5.722  -2.652
    8    H    GLN   2           H        GLN   2   7.503  -4.463  -1.349
    9    HA   GLN   2           HA       GLN   2  10.043  -3.324  -0.539
   10   1HB   GLN   2          HB2       GLN   2   9.619  -1.099  -1.372
   11   2HB   GLN   2          HB3       GLN   2   9.682  -2.218  -2.723
   12   1HG   GLN   2          HG2       GLN   2   7.107  -2.245  -2.656
   13   2HG   GLN   2          HG3       GLN   2   7.221  -0.868  -1.555
   14   1HE2  GLN   2          HE22      GLN   2   9.203   0.771  -2.627
   15   2HE2  GLN   2          HE21      GLN   2   8.864   1.118  -4.315
   16    H    THR   3           H        THR   3   9.533  -1.472   1.112
   17    HA   THR   3           HA       THR   3   6.905  -1.808   2.420
   18    HB   THR   3           HB       THR   3   9.342  -2.154   4.140
   19    HG1  THR   3           HG1      THR   3   8.322  -4.307   2.620
   20   1HG2  THR   3          HG21      THR   3   6.614  -3.507   4.175
   21   2HG2  THR   3          HG22      THR   3   7.885  -3.657   5.412
   22   3HG2  THR   3          HG23      THR   3   7.093  -2.096   5.144
   23    H    GLU   4           H        GLU   4   6.347   0.048   3.591
   24    HA   GLU   4           HA       GLU   4   8.314   2.268   3.676
   25   1HB   GLU   4          HB2       GLU   4   5.989   2.739   2.932
   26   2HB   GLU   4          HB3       GLU   4   5.377   2.195   4.504
   27   1HG   GLU   4          HG2       GLU   4   6.549   4.009   5.643
   28   2HG   GLU   4          HG3       GLU   4   7.428   4.431   4.172
   29    H    GLN   5           H        GLN   5   8.984   3.072   5.790
   30    HA   GLN   5           HA       GLN   5   8.627   1.349   8.150
   31   1HB   GLN   5          HB2       GLN   5  11.249   1.773   6.625
   32   2HB   GLN   5          HB3       GLN   5  11.188   1.148   8.254
   33   1HG   GLN   5          HG2       GLN   5   9.962  -0.265   5.851
   34   2HG   GLN   5          HG3       GLN   5  11.550  -0.570   6.524
   35   1HE2  GLN   5          HE22      GLN   5   8.051  -0.827   7.213
   36   2HE2  GLN   5          HE21      GLN   5   8.224  -2.020   8.490
   37    HA   PRO   6           HA       PRO   6   9.915   5.265  10.190
   38   1HB   PRO   6          HB2       PRO   6  12.087   3.562  11.422
   39   2HB   PRO   6          HB3       PRO   6  11.072   4.819  12.195
   40   1HG   PRO   6          HG2       PRO   6  10.485   2.199  12.554
   41   2HG   PRO   6          HG3       PRO   6   9.165   3.368  12.216
   42   1HD   PRO   6          HD2       PRO   6  10.536   1.474  10.303
   43   2HD   PRO   6          HD3       PRO   6   8.790   1.830  10.471
   44    HA   PRO   7           HA       PRO   7  12.902   6.649   7.296
   45   1HB   PRO   7          HB2       PRO   7  14.138   8.249   9.551
   46   2HB   PRO   7          HB3       PRO   7  13.772   8.767   7.873
   47   1HG   PRO   7          HG2       PRO   7  12.077   9.399   9.887
   48   2HG   PRO   7          HG3       PRO   7  11.423   8.805   8.324
   49   1HD   PRO   7          HD2       PRO   7  11.802   7.277  10.905
   50   2HD   PRO   7          HD3       PRO   7  10.446   7.236   9.737
   51    H    ASN   8           H        ASN   8  14.942   6.281   6.450
   52    HA   ASN   8           HA       ASN   8  17.167   5.339   8.119
   53   1HB   ASN   8          HB2       ASN   8  16.029   3.212   7.558
   54   2HB   ASN   8          HB3       ASN   8  15.914   3.700   5.866
   55   1HD2  ASN   8          HD22      ASN   8  17.209   2.160   4.901
   56   2HD2  ASN   8          HD21      ASN   8  18.926   1.999   5.237
   57    H    GLN   9           H        GLN   9  19.184   5.664   6.946
   58    HA   GLN   9           HA       GLN   9  19.055   7.905   5.126
   59   1HB   GLN   9          HB2       GLN   9  21.398   8.036   5.356
   60   2HB   GLN   9          HB3       GLN   9  20.735   7.666   6.938
   61   1HG   GLN   9          HG2       GLN   9  21.376   5.267   6.642
   62   2HG   GLN   9          HG3       GLN   9  22.059   5.655   5.058
   63   1HE2  GLN   9          HE22      GLN   9  23.723   7.609   5.118
   64   2HE2  GLN   9          HE21      GLN   9  24.878   7.509   6.427
   65    H    ILE  10           H        ILE  10  18.267   4.921   4.226
   66    HA   ILE  10           HA       ILE  10  19.556   5.114   1.592
   67    HB   ILE  10           HB       ILE  10  19.288   2.441   3.010
   68   1HG1  ILE  10          HG12      ILE  10  21.797   4.142   2.815
   69   2HG1  ILE  10          HG13      ILE  10  20.949   3.662   4.289
   70   1HG2  ILE  10          HG21      ILE  10  20.656   1.600   1.155
   71   2HG2  ILE  10          HG22      ILE  10  19.275   2.447   0.498
   72   3HG2  ILE  10          HG23      ILE  10  20.858   3.247   0.519
   73   1HD1  ILE  10          HD11      ILE  10  21.466   1.262   3.756
   74   2HD1  ILE  10          HD12      ILE  10  22.523   1.846   2.447
   75   3HD1  ILE  10          HD13      ILE  10  22.869   2.288   4.123
   76    H    LEU  11           H        LEU  11  18.143   4.514  -0.012
   77    HA   LEU  11           HA       LEU  11  15.308   3.975   0.755
   78   1HB   LEU  11          HB2       LEU  11  16.390   5.805  -1.426
   79   2HB   LEU  11          HB3       LEU  11  14.693   5.492  -1.082
   80    HG   LEU  11           HG       LEU  11  16.634   6.919   0.792
   81   1HD1  LEU  11          HD11      LEU  11  16.121   8.247  -1.202
   82   2HD1  LEU  11          HD12      LEU  11  14.383   8.028  -0.921
   83   3HD1  LEU  11          HD13      LEU  11  15.364   8.943   0.238
   84   1HD2  LEU  11          HD21      LEU  11  13.658   6.309   1.033
   85   2HD2  LEU  11          HD22      LEU  11  14.978   5.820   2.123
   86   3HD2  LEU  11          HD23      LEU  11  14.498   7.515   2.025
   87    H    PHE  12           H        PHE  12  14.177   2.717  -0.750
   88    HA   PHE  12           HA       PHE  12  15.709   1.452  -2.970
   89   1HB   PHE  12          HB2       PHE  12  15.285  -0.275  -1.290
   90   2HB   PHE  12          HB3       PHE  12  13.597   0.216  -1.157
   91    HD1  PHE  12           HD1      PHE  12  16.041  -0.803  -3.855
   92    HD2  PHE  12           HD2      PHE  12  11.991  -1.007  -2.402
   93    HE1  PHE  12           HE1      PHE  12  15.483  -2.404  -5.656
   94    HE2  PHE  12           HE2      PHE  12  11.451  -2.661  -4.173
   95    HZ   PHE  12           HZ       PHE  12  13.185  -3.353  -5.811
   96    H    LEU  13           H        LEU  13  14.627   1.567  -4.900
   97    HA   LEU  13           HA       LEU  13  12.103   3.153  -4.947
   98   1HB   LEU  13          HB2       LEU  13  14.756   3.530  -6.396
   99   2HB   LEU  13          HB3       LEU  13  13.241   4.085  -7.069
  100    HG   LEU  13           HG       LEU  13  12.828   5.484  -5.051
  101   1HD1  LEU  13          HD11      LEU  13  14.197   4.650  -3.313
  102   2HD1  LEU  13          HD12      LEU  13  15.643   4.582  -4.340
  103   3HD1  LEU  13          HD13      LEU  13  14.987   6.144  -3.793
  104   1HD2  LEU  13          HD21      LEU  13  15.387   6.021  -6.603
  105   2HD2  LEU  13          HD22      LEU  13  13.740   6.342  -7.193
  106   3HD2  LEU  13          HD23      LEU  13  14.359   7.230  -5.807
  107    H    THR  14           H        THR  14  10.801   2.798  -6.704
  108    HA   THR  14           HA       THR  14  11.375   0.587  -8.586
  109    HB   THR  14           HB       THR  14   9.145  -0.425  -7.992
  110    HG1  THR  14           HG1      THR  14   8.262   0.112  -6.001
  111   1HG2  THR  14          HG21      THR  14   9.860  -1.665  -6.066
  112   2HG2  THR  14          HG22      THR  14  11.311  -1.344  -7.028
  113   3HG2  THR  14          HG23      THR  14  10.988  -0.388  -5.572
  114    H    ASN  15           H        ASN  15   9.358   0.348 -10.074
  115    HA   ASN  15           HA       ASN  15   8.214   1.147 -11.786
  116   1HB   ASN  15          HB2       ASN  15   6.626   1.666  -9.897
  117   2HB   ASN  15          HB3       ASN  15   7.231   3.325  -9.927
  118   1HD2  ASN  15          HD22      ASN  15   5.792   4.642 -10.994
  119   2HD2  ASN  15          HD21      ASN  15   4.778   4.143 -12.347
  120    H    LEU  16           H        LEU  16  10.919   2.082 -11.501
  121    HA   LEU  16           HA       LEU  16  11.064   4.836 -12.474
  122   1HB   LEU  16          HB2       LEU  16  13.256   2.739 -12.493
  123   2HB   LEU  16          HB3       LEU  16  13.440   4.479 -12.455
  124    HG   LEU  16           HG       LEU  16  12.408   2.780 -10.153
  125   1HD1  LEU  16          HD11      LEU  16  14.801   2.493 -10.683
  126   2HD1  LEU  16          HD12      LEU  16  15.041   4.230 -10.511
  127   3HD1  LEU  16          HD13      LEU  16  14.521   3.265  -9.106
  128   1HD2  LEU  16          HD21      LEU  16  12.309   4.734  -8.836
  129   2HD2  LEU  16          HD22      LEU  16  13.199   5.701 -10.028
  130   3HD2  LEU  16          HD23      LEU  16  11.511   5.200 -10.315
  131    HA   PRO  17           HA       PRO  17  11.067   4.097 -16.933
  132   1HB   PRO  17          HB2       PRO  17  13.973   4.856 -16.916
  133   2HB   PRO  17          HB3       PRO  17  12.684   5.339 -18.059
  134   1HG   PRO  17          HG2       PRO  17  13.493   6.985 -16.070
  135   2HG   PRO  17          HG3       PRO  17  11.750   6.847 -16.469
  136   1HD   PRO  17          HD2       PRO  17  13.250   5.668 -14.173
  137   2HD   PRO  17          HD3       PRO  17  11.566   6.252 -14.241
  138    H    GLU  18           H        GLU  18  11.866   2.560 -18.547
  139    HA   GLU  18           HA       GLU  18  13.243   0.192 -17.479
  140   1HB   GLU  18          HB2       GLU  18  12.243   0.903 -20.275
  141   2HB   GLU  18          HB3       GLU  18  12.938  -0.657 -19.811
  142   1HG   GLU  18          HG2       GLU  18  11.132  -0.947 -18.113
  143   2HG   GLU  18          HG3       GLU  18  10.384   0.550 -18.671
  144    H    GLU  19           H        GLU  19  14.436   3.103 -18.032
  145    HA   GLU  19           HA       GLU  19  16.910   2.229 -19.275
  146   1HB   GLU  19          HB2       GLU  19  15.390   4.764 -20.034
  147   2HB   GLU  19          HB3       GLU  19  16.899   4.191 -20.753
  148   1HG   GLU  19          HG2       GLU  19  15.650   2.163 -21.596
  149   2HG   GLU  19          HG3       GLU  19  14.151   2.906 -21.013
  150    H    THR  20           H        THR  20  15.804   3.244 -16.440
  151    HA   THR  20           HA       THR  20  16.966   5.742 -15.863
  152    HB   THR  20           HB       THR  20  16.924   3.567 -13.784
  153    HG1  THR  20           HG1      THR  20  15.005   3.043 -14.263
  154   1HG2  THR  20          HG21      THR  20  15.856   6.428 -13.864
  155   2HG2  THR  20          HG22      THR  20  15.893   5.363 -12.443
  156   3HG2  THR  20          HG23      THR  20  17.411   5.925 -13.156
  157    H    ASN  21           H        ASN  21  18.968   6.316 -14.967
  158    HA   ASN  21           HA       ASN  21  21.066   4.264 -14.820
  159   1HB   ASN  21          HB2       ASN  21  21.247   5.278 -17.093
  160   2HB   ASN  21          HB3       ASN  21  21.315   6.884 -16.362
  161   1HD2  ASN  21          HD22      ASN  21  23.425   7.239 -17.367
  162   2HD2  ASN  21          HD21      ASN  21  24.842   6.516 -16.652
  163    H    GLU  22           H        GLU  22  22.878   5.112 -13.456
  164    HA   GLU  22           HA       GLU  22  21.823   6.172 -11.051
  165   1HB   GLU  22          HB2       GLU  22  24.730   6.004 -11.961
  166   2HB   GLU  22          HB3       GLU  22  24.178   6.255 -10.287
  167   1HG   GLU  22          HG2       GLU  22  22.943   4.113 -10.394
  168   2HG   GLU  22          HG3       GLU  22  23.583   3.845 -12.029
  169    H    MET  23           H        MET  23  23.518   7.726 -13.691
  170    HA   MET  23           HA       MET  23  23.953  10.272 -12.574
  171   1HB   MET  23          HB2       MET  23  23.384   9.409 -15.446
  172   2HB   MET  23          HB3       MET  23  23.801  11.062 -14.991
  173   1HG   MET  23          HG2       MET  23  25.787  10.029 -15.718
  174   2HG   MET  23          HG3       MET  23  25.901  10.274 -13.976
  175   1HE   MET  23          HE1       MET  23  28.057   8.771 -13.877
  176   2HE   MET  23          HE2       MET  23  28.162   7.138 -14.571
  177   3HE   MET  23          HE3       MET  23  27.963   8.544 -15.639
  178    H    MET  24           H        MET  24  20.995   8.931 -13.996
  179    HA   MET  24           HA       MET  24  19.553  11.415 -14.219
  180   1HB   MET  24          HB2       MET  24  18.397   8.589 -13.855
  181   2HB   MET  24          HB3       MET  24  17.516  10.032 -14.352
  182   1HG   MET  24          HG2       MET  24  18.980  10.196 -16.354
  183   2HG   MET  24          HG3       MET  24  19.771   8.688 -15.852
  184   1HE   MET  24          HE1       MET  24  17.746   7.490 -18.961
  185   2HE   MET  24          HE2       MET  24  18.629   9.015 -18.738
  186   3HE   MET  24          HE3       MET  24  19.322   7.487 -18.144
  187    H    LEU  25           H        LEU  25  19.469   8.801 -11.792
  188    HA   LEU  25           HA       LEU  25  17.704  10.318 -10.080
  189   1HB   LEU  25          HB2       LEU  25  19.470   7.951  -9.377
  190   2HB   LEU  25          HB3       LEU  25  18.184   8.616  -8.374
  191    HG   LEU  25           HG       LEU  25  17.972   7.070 -10.977
  192   1HD1  LEU  25          HD11      LEU  25  18.112   5.817  -8.872
  193   2HD1  LEU  25          HD12      LEU  25  16.762   6.754  -8.202
  194   3HD1  LEU  25          HD13      LEU  25  16.498   5.655  -9.575
  195   1HD2  LEU  25          HD21      LEU  25  15.827   8.800  -9.691
  196   2HD2  LEU  25          HD22      LEU  25  16.421   8.847 -11.375
  197   3HD2  LEU  25          HD23      LEU  25  15.471   7.468 -10.824
  198    H    SER  26           H        SER  26  21.265  10.064 -10.346
  199    HA   SER  26           HA       SER  26  21.848  11.409  -7.909
  200   1HB   SER  26          HB2       SER  26  23.396  11.474 -10.534
  201   2HB   SER  26          HB3       SER  26  24.002  11.978  -8.946
  202    HG   SER  26           HG       SER  26  23.188   9.389  -9.778
  203    H    MET  27           H        MET  27  21.345  12.752 -11.259
  204    HA   MET  27           HA       MET  27  21.579  15.435 -10.282
  205   1HB   MET  27          HB2       MET  27  20.822  16.222 -12.380
  206   2HB   MET  27          HB3       MET  27  21.938  14.886 -12.647
  207   1HG   MET  27          HG2       MET  27  20.113  13.405 -13.216
  208   2HG   MET  27          HG3       MET  27  18.908  14.610 -12.748
  209   1HE   MET  27          HE1       MET  27  18.269  14.440 -16.559
  210   2HE   MET  27          HE2       MET  27  18.674  13.087 -15.485
  211   3HE   MET  27          HE3       MET  27  17.569  14.363 -14.927
  212    H    LEU  28           H        LEU  28  18.809  13.220 -10.295
  213    HA   LEU  28           HA       LEU  28  16.928  15.334  -9.604
  214   1HB   LEU  28          HB2       LEU  28  16.773  12.322  -9.272
  215   2HB   LEU  28          HB3       LEU  28  15.475  13.426  -8.829
  216    HG   LEU  28           HG       LEU  28  16.604  13.128 -11.643
  217   1HD1  LEU  28          HD11      LEU  28  15.340  11.139 -10.856
  218   2HD1  LEU  28          HD12      LEU  28  13.949  12.187 -10.492
  219   3HD1  LEU  28          HD13      LEU  28  14.512  11.989 -12.167
  220   1HD2  LEU  28          HD21      LEU  28  15.721  15.381 -11.382
  221   2HD2  LEU  28          HD22      LEU  28  14.587  14.428 -12.328
  222   3HD2  LEU  28          HD23      LEU  28  14.244  14.754 -10.614
  223    H    PHE  29           H        PHE  29  18.470  12.795  -7.542
  224    HA   PHE  29           HA       PHE  29  17.303  14.043  -5.202
  225   1HB   PHE  29          HB2       PHE  29  19.186  11.700  -5.626
  226   2HB   PHE  29          HB3       PHE  29  18.745  12.302  -4.032
  227    HD1  PHE  29           HD1      PHE  29  17.246  10.759  -7.110
  228    HD2  PHE  29           HD2      PHE  29  16.763  11.752  -2.953
  229    HE1  PHE  29           HE1      PHE  29  15.221   9.353  -7.003
  230    HE2  PHE  29           HE2      PHE  29  14.713  10.369  -2.850
  231    HZ   PHE  29           HZ       PHE  29  13.935   9.177  -4.883
  232    H    ASN  30           H        ASN  30  20.507  14.378  -6.765
  233    HA   ASN  30           HA       ASN  30  21.855  15.192  -4.425
  234   1HB   ASN  30          HB2       ASN  30  23.656  15.858  -5.710
  235   2HB   ASN  30          HB3       ASN  30  22.979  14.481  -6.551
  236   1HD2  ASN  30          HD22      ASN  30  24.697  15.922  -8.001
  237   2HD2  ASN  30          HD21      ASN  30  23.898  16.975  -9.137
  238    H    GLN  31           H        GLN  31  19.383  16.860  -6.031
  239    HA   GLN  31           HA       GLN  31  20.057  19.568  -5.554
  240   1HB   GLN  31          HB2       GLN  31  17.369  18.125  -5.501
  241   2HB   GLN  31          HB3       GLN  31  17.571  19.880  -5.507
  242   1HG   GLN  31          HG2       GLN  31  18.707  19.768  -7.703
  243   2HG   GLN  31          HG3       GLN  31  18.513  18.013  -7.729
  244   1HE2  GLN  31          HE22      GLN  31  16.241  17.154  -7.624
  245   2HE2  GLN  31          HE21      GLN  31  14.950  18.098  -8.355
  246    H    PHE  32           H        PHE  32  18.993  16.939  -3.385
  247    HA   PHE  32           HA       PHE  32  18.288  18.767  -1.225
  248   1HB   PHE  32          HB2       PHE  32  18.620  15.753  -1.214
  249   2HB   PHE  32          HB3       PHE  32  17.812  16.717   0.022
  250    HD1  PHE  32           HD1      PHE  32  17.218  14.601  -2.675
  251    HD2  PHE  32           HD2      PHE  32  15.875  18.381  -1.097
  252    HE1  PHE  32           HE1      PHE  32  15.166  14.428  -4.028
  253    HE2  PHE  32           HE2      PHE  32  13.815  18.207  -2.469
  254    HZ   PHE  32           HZ       PHE  32  13.485  16.247  -3.976
  255    HA   PRO  33           HA       PRO  33  22.432  19.217   0.059
  256   1HB   PRO  33          HB2       PRO  33  22.190  20.286   2.570
  257   2HB   PRO  33          HB3       PRO  33  21.563  21.089   1.107
  258   1HG   PRO  33          HG2       PRO  33  20.023  19.297   3.022
  259   2HG   PRO  33          HG3       PRO  33  19.605  20.963   2.492
  260   1HD   PRO  33          HD2       PRO  33  18.557  18.787   1.254
  261   2HD   PRO  33          HD3       PRO  33  19.045  20.233   0.318
  262    H    GLY  34           H        GLY  34  21.331  16.390   0.614
  263   1HA   GLY  34          HA2       GLY  34  23.431  15.557   2.538
  264   2HA   GLY  34          HA3       GLY  34  21.750  15.156   2.914
  265    H    PHE  35           H        PHE  35  21.987  15.031  -0.450
  266    HA   PHE  35           HA       PHE  35  21.823  12.206  -0.674
  267   1HB   PHE  35          HB2       PHE  35  20.939  13.624  -2.384
  268   2HB   PHE  35          HB3       PHE  35  22.436  14.539  -2.498
  269    HD1  PHE  35           HD1      PHE  35  24.401  13.682  -3.718
  270    HD2  PHE  35           HD2      PHE  35  20.674  11.512  -3.644
  271    HE1  PHE  35           HE1      PHE  35  25.151  12.295  -5.646
  272    HE2  PHE  35           HE2      PHE  35  21.404  10.200  -5.608
  273    HZ   PHE  35           HZ       PHE  35  23.662  10.551  -6.572
  274    H    LYS  36           H        LYS  36  23.359  10.771  -1.400
  275    HA   LYS  36           HA       LYS  36  26.205  11.653  -1.501
  276   1HB   LYS  36          HB2       LYS  36  25.284   9.124  -0.083
  277   2HB   LYS  36          HB3       LYS  36  26.955   9.621  -0.401
  278   1HG   LYS  36          HG2       LYS  36  26.441  11.743   0.956
  279   2HG   LYS  36          HG3       LYS  36  24.960  10.937   1.461
  280   1HD   LYS  36          HD2       LYS  36  27.838  10.187   2.079
  281   2HD   LYS  36          HD3       LYS  36  26.551  10.625   3.186
  282   1HE   LYS  36          HE2       LYS  36  26.516   8.383   3.566
  283   2HE   LYS  36          HE3       LYS  36  25.378   8.433   2.224
  284   1HZ   LYS  36          HZ1       LYS  36  28.230   7.624   2.173
  285   2HZ   LYS  36          HZ2       LYS  36  26.930   6.723   1.733
  286   3HZ   LYS  36          HZ3       LYS  36  27.426   7.942   0.786
  287    H    GLU  37           H        GLU  37  23.892   8.901  -2.315
  288    HA   GLU  37           HA       GLU  37  25.350   8.651  -4.860
  289   1HB   GLU  37          HB2       GLU  37  26.596   7.449  -2.788
  290   2HB   GLU  37          HB3       GLU  37  25.412   6.187  -3.102
  291   1HG   GLU  37          HG2       GLU  37  26.248   6.020  -5.445
  292   2HG   GLU  37          HG3       GLU  37  27.326   7.384  -5.165
  293    H    VAL  38           H        VAL  38  24.629   6.674  -6.111
  294    HA   VAL  38           HA       VAL  38  21.895   5.706  -5.546
  295    HB   VAL  38           HB       VAL  38  22.994   6.636  -8.240
  296   1HG1  VAL  38          HG11      VAL  38  20.233   5.533  -7.555
  297   2HG1  VAL  38          HG12      VAL  38  20.721   6.203  -9.123
  298   3HG1  VAL  38          HG13      VAL  38  21.462   4.730  -8.557
  299   1HG2  VAL  38          HG21      VAL  38  20.778   7.886  -6.573
  300   2HG2  VAL  38          HG22      VAL  38  22.397   8.567  -6.871
  301   3HG2  VAL  38          HG23      VAL  38  21.290   8.377  -8.207
  302    H    ARG  39           H        ARG  39  21.631   3.526  -6.276
  303    HA   ARG  39           HA       ARG  39  23.897   2.236  -7.684
  304   1HB   ARG  39          HB2       ARG  39  22.487   0.924  -5.319
  305   2HB   ARG  39          HB3       ARG  39  23.641   0.183  -6.413
  306   1HG   ARG  39          HG2       ARG  39  25.063   0.661  -4.696
  307   2HG   ARG  39          HG3       ARG  39  25.244   2.153  -5.619
  308   1HD   ARG  39          HD2       ARG  39  23.402   3.136  -4.094
  309   2HD   ARG  39          HD3       ARG  39  23.530   1.648  -3.151
  310    HE   ARG  39           HE       ARG  39  25.971   3.304  -3.653
  311   1HH1  ARG  39          HH21      ARG  39  23.605   2.138  -1.236
  312   2HH1  ARG  39          HH22      ARG  39  24.446   2.908   0.086
  313   1HH2  ARG  39          HH11      ARG  39  27.011   4.182  -2.009
  314   2HH2  ARG  39          HH12      ARG  39  26.389   4.199  -0.356
  315    H    LEU  40           H        LEU  40  22.988   1.771  -9.593
  316    HA   LEU  40           HA       LEU  40  20.088   1.345  -9.891
  317   1HB   LEU  40          HB2       LEU  40  22.354   2.041 -11.597
  318   2HB   LEU  40          HB3       LEU  40  21.629   0.612 -12.236
  319    HG   LEU  40           HG       LEU  40  20.765   2.654 -13.247
  320   1HD1  LEU  40          HD11      LEU  40  18.573   1.239 -11.673
  321   2HD1  LEU  40          HD12      LEU  40  18.423   2.077 -13.221
  322   3HD1  LEU  40          HD13      LEU  40  19.378   0.599 -13.136
  323   1HD2  LEU  40          HD21      LEU  40  20.870   4.175 -11.307
  324   2HD2  LEU  40          HD22      LEU  40  19.304   4.218 -12.120
  325   3HD2  LEU  40          HD23      LEU  40  19.478   3.359 -10.579
  326    H    VAL  41           H        VAL  41  19.481  -0.583 -11.271
  327    HA   VAL  41           HA       VAL  41  21.024  -3.049 -10.637
  328    HB   VAL  41           HB       VAL  41  17.998  -2.825 -10.699
  329   1HG1  VAL  41          HG11      VAL  41  18.807  -4.991 -11.535
  330   2HG1  VAL  41          HG12      VAL  41  19.899  -5.156 -10.138
  331   3HG1  VAL  41          HG13      VAL  41  18.143  -5.208  -9.917
  332   1HG2  VAL  41          HG21      VAL  41  18.806  -1.858  -8.603
  333   2HG2  VAL  41          HG22      VAL  41  18.171  -3.472  -8.271
  334   3HG2  VAL  41          HG23      VAL  41  19.925  -3.217  -8.361
  335    HA   PRO  42           HA       PRO  42  20.755  -1.786 -14.979
  336   1HB   PRO  42          HB2       PRO  42  23.306  -2.370 -15.846
  337   2HB   PRO  42          HB3       PRO  42  22.925  -0.975 -14.799
  338   1HG   PRO  42          HG2       PRO  42  23.856  -3.734 -13.927
  339   2HG   PRO  42          HG3       PRO  42  24.570  -2.143 -13.494
  340   1HD   PRO  42          HD2       PRO  42  22.798  -3.377 -11.859
  341   2HD   PRO  42          HD3       PRO  42  22.742  -1.602 -12.097
  342    H    ASN  43           H        ASN  43  19.853  -4.298 -13.959
  343    HA   ASN  43           HA       ASN  43  19.753  -5.760 -16.462
  344   1HB   ASN  43          HB2       ASN  43  19.676  -7.925 -15.414
  345   2HB   ASN  43          HB3       ASN  43  21.160  -7.123 -14.928
  346   1HD2  ASN  43          HD22      ASN  43  21.537  -6.870 -12.690
  347   2HD2  ASN  43          HD21      ASN  43  20.368  -7.283 -11.465
  348    H    ARG  44           H        ARG  44  18.097  -4.025 -14.008
  349    HA   ARG  44           HA       ARG  44  15.573  -4.881 -15.324
  350   1HB   ARG  44          HB2       ARG  44  16.194  -4.760 -12.395
  351   2HB   ARG  44          HB3       ARG  44  14.694  -4.003 -12.899
  352   1HG   ARG  44          HG2       ARG  44  14.107  -6.137 -14.162
  353   2HG   ARG  44          HG3       ARG  44  15.538  -6.880 -13.435
  354   1HD   ARG  44          HD2       ARG  44  13.561  -7.500 -12.188
  355   2HD   ARG  44          HD3       ARG  44  14.574  -6.458 -11.174
  356    HE   ARG  44           HE       ARG  44  12.827  -4.691 -12.411
  357   1HH1  ARG  44          HH21      ARG  44  12.376  -7.555 -10.344
  358   2HH1  ARG  44          HH22      ARG  44  10.883  -7.005  -9.682
  359   1HH2  ARG  44          HH11      ARG  44  10.873  -3.964 -11.566
  360   2HH2  ARG  44          HH12      ARG  44   9.998  -4.913 -10.401
  361    H    HIS  45           H        HIS  45  17.390  -2.250 -13.792
  362    HA   HIS  45           HA       HIS  45  17.364  -0.076 -13.931
  363   1HB   HIS  45          HB2       HIS  45  15.849  -0.314 -16.540
  364   2HB   HIS  45          HB3       HIS  45  16.786   1.060 -15.979
  365    HD1  HIS  45           HD1      HIS  45  17.225  -2.232 -17.781
  366    HD2  HIS  45           HD2      HIS  45  19.525   0.794 -15.974
  367    HE1  HIS  45           HE1      HIS  45  19.615  -2.565 -18.595
  368    H    ASP  46           H        ASP  46  14.153  -1.529 -14.072
  369    HA   ASP  46           HA       ASP  46  12.755   0.955 -13.636
  370   1HB   ASP  46          HB2       ASP  46  10.793  -0.278 -13.645
  371   2HB   ASP  46          HB3       ASP  46  11.828  -1.113 -14.800
  372    H    ILE  47           H        ILE  47  14.729  -0.818 -11.610
  373    HA   ILE  47           HA       ILE  47  13.526   0.382  -9.206
  374    HB   ILE  47           HB       ILE  47  14.137  -1.596  -7.940
  375   1HG1  ILE  47          HG12      ILE  47  15.513  -2.411 -10.521
  376   2HG1  ILE  47          HG13      ILE  47  16.152  -2.317  -8.877
  377   1HG2  ILE  47          HG21      ILE  47  12.695  -2.623 -10.406
  378   2HG2  ILE  47          HG22      ILE  47  12.506  -3.160  -8.724
  379   3HG2  ILE  47          HG23      ILE  47  11.930  -1.561  -9.219
  380   1HD1  ILE  47          HD11      ILE  47  15.974  -4.594  -9.589
  381   2HD1  ILE  47          HD12      ILE  47  14.771  -4.306  -8.298
  382   3HD1  ILE  47          HD13      ILE  47  14.282  -4.363 -10.030
  383    H    ALA  48           H        ALA  48  15.193   0.724  -7.498
  384    HA   ALA  48           HA       ALA  48  18.018   0.687  -8.157
  385   1HB   ALA  48          HB1       ALA  48  17.263   2.671  -9.533
  386   2HB   ALA  48          HB2       ALA  48  16.613   3.404  -8.049
  387   3HB   ALA  48          HB3       ALA  48  18.358   3.134  -8.223
  388    H    PHE  49           H        PHE  49  19.237   2.036  -6.440
  389    HA   PHE  49           HA       PHE  49  17.718   2.356  -3.925
  390   1HB   PHE  49          HB2       PHE  49  20.503   1.170  -4.255
  391   2HB   PHE  49          HB3       PHE  49  19.841   1.708  -2.726
  392    HD1  PHE  49           HD1      PHE  49  19.421  -0.820  -5.453
  393    HD2  PHE  49           HD2      PHE  49  18.414   0.322  -1.413
  394    HE1  PHE  49           HE1      PHE  49  18.476  -3.082  -5.050
  395    HE2  PHE  49           HE2      PHE  49  17.509  -1.956  -1.002
  396    HZ   PHE  49           HZ       PHE  49  17.542  -3.659  -2.815
  397    H    VAL  50           H        VAL  50  18.526   4.143  -2.654
  398    HA   VAL  50           HA       VAL  50  20.561   5.912  -3.896
  399    HB   VAL  50           HB       VAL  50  17.814   6.840  -2.949
  400   1HG1  VAL  50          HG11      VAL  50  19.560   8.555  -2.629
  401   2HG1  VAL  50          HG12      VAL  50  20.058   8.379  -4.322
  402   3HG1  VAL  50          HG13      VAL  50  18.451   9.016  -3.922
  403   1HG2  VAL  50          HG21      VAL  50  18.856   6.619  -5.799
  404   2HG2  VAL  50          HG22      VAL  50  17.534   5.681  -5.083
  405   3HG2  VAL  50          HG23      VAL  50  17.344   7.418  -5.307
  406    H    GLU  51           H        GLU  51  21.666   7.206  -2.269
  407    HA   GLU  51           HA       GLU  51  21.109   6.448   0.553
  408   1HB   GLU  51          HB2       GLU  51  22.733   4.862  -0.280
  409   2HB   GLU  51          HB3       GLU  51  23.749   6.157  -0.935
  410   1HG   GLU  51          HG2       GLU  51  24.228   6.997   1.290
  411   2HG   GLU  51          HG3       GLU  51  23.083   5.872   2.030
  412    H    PHE  52           H        PHE  52  21.714   7.863   2.043
  413    HA   PHE  52           HA       PHE  52  22.469  10.631   1.277
  414   1HB   PHE  52          HB2       PHE  52  20.100   9.469   2.769
  415   2HB   PHE  52          HB3       PHE  52  20.697  11.033   3.245
  416    HD1  PHE  52           HD1      PHE  52  19.452   9.200   0.186
  417    HD2  PHE  52           HD2      PHE  52  20.101  12.970   2.164
  418    HE1  PHE  52           HE1      PHE  52  18.324  10.382  -1.679
  419    HE2  PHE  52           HE2      PHE  52  18.940  14.145   0.325
  420    HZ   PHE  52           HZ       PHE  52  18.119  12.865  -1.634
  421    H    THR  53           H        THR  53  22.998  11.908   3.260
  422    HA   THR  53           HA       THR  53  24.877  10.555   4.992
  423    HB   THR  53           HB       THR  53  23.714  13.366   5.086
  424    HG1  THR  53           HG1      THR  53  24.828  13.019   3.194
  425   1HG2  THR  53          HG21      THR  53  26.199  12.214   6.423
  426   2HG2  THR  53          HG22      THR  53  25.665  13.917   6.472
  427   3HG2  THR  53          HG23      THR  53  24.697  12.655   7.252
  428    H    THR  54           H        THR  54  21.595  12.066   5.557
  429    HA   THR  54           HA       THR  54  21.497  10.428   8.048
  430    HB   THR  54           HB       THR  54  20.341  12.195   9.180
  431    HG1  THR  54           HG1      THR  54  20.866  13.818   6.927
  432   1HG2  THR  54          HG21      THR  54  22.079  13.742   9.613
  433   2HG2  THR  54          HG22      THR  54  22.883  12.212   9.220
  434   3HG2  THR  54          HG23      THR  54  22.802  13.523   8.012
  435    H    GLU  55           H        GLU  55  19.591   9.871   8.768
  436    HA   GLU  55           HA       GLU  55  17.695   8.835   6.925
  437   1HB   GLU  55          HB2       GLU  55  17.126   9.338   9.872
  438   2HB   GLU  55          HB3       GLU  55  16.453   8.109   8.810
  439   1HG   GLU  55          HG2       GLU  55  17.906   6.791   9.931
  440   2HG   GLU  55          HG3       GLU  55  18.997   7.299   8.653
  441    H    LEU  56           H        LEU  56  17.809  11.935   8.614
  442    HA   LEU  56           HA       LEU  56  15.029  12.650   8.175
  443   1HB   LEU  56          HB2       LEU  56  17.545  14.159   8.969
  444   2HB   LEU  56          HB3       LEU  56  16.085  15.023   8.498
  445    HG   LEU  56           HG       LEU  56  14.779  13.929  10.264
  446   1HD1  LEU  56          HD11      LEU  56  15.952  12.721  12.112
  447   2HD1  LEU  56          HD12      LEU  56  15.949  11.813  10.603
  448   3HD1  LEU  56          HD13      LEU  56  17.425  12.667  11.119
  449   1HD2  LEU  56          HD21      LEU  56  15.796  15.146  12.149
  450   2HD2  LEU  56          HD22      LEU  56  17.333  15.266  11.262
  451   3HD2  LEU  56          HD23      LEU  56  15.883  16.100  10.661
  452    H    GLN  57           H        GLN  57  18.119  13.164   6.439
  453    HA   GLN  57           HA       GLN  57  16.945  14.979   4.515
  454   1HB   GLN  57          HB2       GLN  57  19.565  13.442   4.560
  455   2HB   GLN  57          HB3       GLN  57  19.131  14.644   3.329
  456   1HG   GLN  57          HG2       GLN  57  19.060  16.434   4.892
  457   2HG   GLN  57          HG3       GLN  57  19.111  15.359   6.284
  458   1HE2  GLN  57          HE22      GLN  57  21.012  17.592   5.032
  459   2HE2  GLN  57          HE21      GLN  57  22.576  16.840   5.208
  460    H    SER  58           H        SER  58  17.669  11.399   4.511
  461    HA   SER  58           HA       SER  58  16.717  11.009   1.831
  462   1HB   SER  58          HB2       SER  58  16.337   8.641   2.654
  463   2HB   SER  58          HB3       SER  58  17.987   9.245   2.798
  464    HG   SER  58           HG       SER  58  16.832   8.157   4.693
  465    H    ASN  59           H        ASN  59  15.067  10.946   5.060
  466    HA   ASN  59           HA       ASN  59  12.504  10.288   4.155
  467   1HB   ASN  59          HB2       ASN  59  12.642  10.361   6.477
  468   2HB   ASN  59          HB3       ASN  59  13.556  11.857   6.486
  469   1HD2  ASN  59          HD22      ASN  59  10.218  10.913   5.290
  470   2HD2  ASN  59          HD21      ASN  59   9.472  12.302   6.024
  471    H    ALA  60           H        ALA  60  13.878  13.598   4.369
  472    HA   ALA  60           HA       ALA  60  11.492  14.740   3.280
  473   1HB   ALA  60          HB1       ALA  60  12.783  16.789   3.053
  474   2HB   ALA  60          HB2       ALA  60  13.040  16.021   4.632
  475   3HB   ALA  60          HB3       ALA  60  14.296  15.896   3.365
  476    H    ALA  61           H        ALA  61  14.486  13.591   1.701
  477    HA   ALA  61           HA       ALA  61  13.810  14.517  -0.924
  478   1HB   ALA  61          HB1       ALA  61  15.394  12.854  -1.691
  479   2HB   ALA  61          HB2       ALA  61  16.061  13.713  -0.285
  480   3HB   ALA  61          HB3       ALA  61  15.422  12.058  -0.105
  481    H    LYS  62           H        LYS  62  13.082  11.479   0.815
  482    HA   LYS  62           HA       LYS  62  11.662  10.138  -1.233
  483   1HB   LYS  62          HB2       LYS  62  12.470   8.979   0.680
  484   2HB   LYS  62          HB3       LYS  62  11.644  10.018   1.808
  485   1HG   LYS  62          HG2       LYS  62  10.166   8.129  -0.051
  486   2HG   LYS  62          HG3       LYS  62  10.781   7.684   1.539
  487   1HD   LYS  62          HD2       LYS  62   9.386   9.696   2.455
  488   2HD   LYS  62          HD3       LYS  62   8.558   9.638   0.889
  489   1HE   LYS  62          HE2       LYS  62   8.217   7.122   1.315
  490   2HE   LYS  62          HE3       LYS  62   8.773   7.412   2.964
  491   1HZ   LYS  62          HZ1       LYS  62   6.899   8.969   3.220
  492   2HZ   LYS  62          HZ2       LYS  62   6.401   8.644   1.678
  493   3HZ   LYS  62          HZ3       LYS  62   6.381   7.463   2.821
  494    H    GLU  63           H        GLU  63  10.412  12.289   1.424
  495    HA   GLU  63           HA       GLU  63   7.758  12.058   0.481
  496   1HB   GLU  63          HB2       GLU  63   7.161  13.375   2.198
  497   2HB   GLU  63          HB3       GLU  63   8.780  12.951   2.757
  498   1HG   GLU  63          HG2       GLU  63   9.633  15.099   1.981
  499   2HG   GLU  63          HG3       GLU  63   8.041  15.545   1.362
  500    H    ALA  64           H        ALA  64  10.325  14.297  -0.430
  501    HA   ALA  64           HA       ALA  64   8.741  16.066  -2.007
  502   1HB   ALA  64          HB1       ALA  64  11.696  15.354  -2.224
  503   2HB   ALA  64          HB2       ALA  64  10.911  16.759  -2.966
  504   3HB   ALA  64          HB3       ALA  64  10.998  16.629  -1.198
  505    H    LEU  65           H        LEU  65  10.597  13.087  -2.941
  506    HA   LEU  65           HA       LEU  65   9.660  13.506  -5.733
  507   1HB   LEU  65          HB2       LEU  65  11.970  11.883  -4.628
  508   2HB   LEU  65          HB3       LEU  65  11.498  11.937  -6.324
  509    HG   LEU  65           HG       LEU  65  12.568  14.244  -4.676
  510   1HD1  LEU  65          HD11      LEU  65  13.672  12.740  -7.092
  511   2HD1  LEU  65          HD12      LEU  65  14.448  14.124  -6.294
  512   3HD1  LEU  65          HD13      LEU  65  14.241  12.596  -5.421
  513   1HD2  LEU  65          HD21      LEU  65  10.941  15.202  -6.236
  514   2HD2  LEU  65          HD22      LEU  65  12.569  15.540  -6.814
  515   3HD2  LEU  65          HD23      LEU  65  11.620  14.247  -7.576
  516    H    GLN  66           H        GLN  66   8.613  11.528  -3.163
  517    HA   GLN  66           HA       GLN  66   7.991   9.182  -4.652
  518   1HB   GLN  66          HB2       GLN  66   6.674  10.587  -2.311
  519   2HB   GLN  66          HB3       GLN  66   5.770   9.338  -3.175
  520   1HG   GLN  66          HG2       GLN  66   7.659   7.746  -2.860
  521   2HG   GLN  66          HG3       GLN  66   8.466   8.932  -1.836
  522   1HE2  GLN  66          HE22      GLN  66   7.234   6.137  -1.266
  523   2HE2  GLN  66          HE21      GLN  66   6.071   6.419   0.001
  524    H    GLY  67           H        GLY  67   6.775   8.853  -6.378
  525   1HA   GLY  67          HA2       GLY  67   5.008   9.003  -7.841
  526   2HA   GLY  67          HA3       GLY  67   4.408  10.452  -7.029
  527    H    PHE  68           H        PHE  68   7.766  10.829  -7.734
  528    HA   PHE  68           HA       PHE  68   7.161  12.975  -9.566
  529   1HB   PHE  68          HB2       PHE  68   9.017  13.080  -7.966
  530   2HB   PHE  68          HB3       PHE  68   9.792  11.689  -8.719
  531    HD1  PHE  68           HD1      PHE  68   8.963  15.288  -9.108
  532    HD2  PHE  68           HD2      PHE  68  11.040  11.905 -10.802
  533    HE1  PHE  68           HE1      PHE  68  10.204  16.806 -10.630
  534    HE2  PHE  68           HE2      PHE  68  12.272  13.429 -12.323
  535    HZ   PHE  68           HZ       PHE  68  11.862  15.880 -12.237
  536    H    LYS  69           H        LYS  69   6.837  12.775 -11.732
  537    HA   LYS  69           HA       LYS  69   7.371  10.328 -13.208
  538   1HB   LYS  69          HB2       LYS  69   6.367  13.074 -13.904
  539   2HB   LYS  69          HB3       LYS  69   7.255  12.221 -15.164
  540   1HG   LYS  69          HG2       LYS  69   4.983  11.715 -15.498
  541   2HG   LYS  69          HG3       LYS  69   5.805  10.264 -14.948
  542   1HD   LYS  69          HD2       LYS  69   4.937  10.743 -12.605
  543   2HD   LYS  69          HD3       LYS  69   3.924  12.008 -13.306
  544   1HE   LYS  69          HE2       LYS  69   3.953   9.076 -14.186
  545   2HE   LYS  69          HE3       LYS  69   2.828   9.735 -12.984
  546   1HZ   LYS  69          HZ1       LYS  69   2.040  11.278 -14.762
  547   2HZ   LYS  69          HZ2       LYS  69   2.932  10.423 -15.858
  548   3HZ   LYS  69          HZ3       LYS  69   1.717   9.709 -15.048
  549    H    ILE  70           H        ILE  70   9.382   9.602 -13.392
  550    HA   ILE  70           HA       ILE  70  11.710  11.386 -13.760
  551    HB   ILE  70           HB       ILE  70  11.366   8.399 -14.143
  552   1HG1  ILE  70          HG12      ILE  70  12.838   9.865 -11.910
  553   2HG1  ILE  70          HG13      ILE  70  11.151   9.390 -11.766
  554   1HG2  ILE  70          HG21      ILE  70  13.219   9.317 -15.521
  555   2HG2  ILE  70          HG22      ILE  70  13.866  10.161 -14.102
  556   3HG2  ILE  70          HG23      ILE  70  13.880   8.389 -14.173
  557   1HD1  ILE  70          HD11      ILE  70  11.707   7.036 -12.079
  558   2HD1  ILE  70          HD12      ILE  70  13.436   7.435 -12.240
  559   3HD1  ILE  70          HD13      ILE  70  12.591   7.739 -10.721
  560    H    THR  71           H        THR  71   9.493   9.274 -15.702
  561    HA   THR  71           HA       THR  71   9.723  11.139 -17.945
  562    HB   THR  71           HB       THR  71   9.543   9.133 -19.492
  563    HG1  THR  71           HG1      THR  71  10.178   7.149 -18.705
  564   1HG2  THR  71          HG21      THR  71  11.722  10.330 -19.183
  565   2HG2  THR  71          HG22      THR  71  12.144   9.177 -17.898
  566   3HG2  THR  71          HG23      THR  71  11.922   8.612 -19.567
  567    HA   PRO  72           HA       PRO  72   5.551  11.582 -17.779
  568   1HB   PRO  72          HB2       PRO  72   5.124  10.148 -20.411
  569   2HB   PRO  72          HB3       PRO  72   4.372  11.671 -19.828
  570   1HG   PRO  72          HG2       PRO  72   6.509  11.796 -21.469
  571   2HG   PRO  72          HG3       PRO  72   6.451  12.854 -20.020
  572   1HD   PRO  72          HD2       PRO  72   7.960  10.276 -20.418
  573   2HD   PRO  72          HD3       PRO  72   8.486  11.783 -19.609
  574    H    THR  73           H        THR  73   6.284   8.156 -18.320
  575    HA   THR  73           HA       THR  73   3.715   7.411 -17.036
  576    HB   THR  73           HB       THR  73   4.084   5.273 -18.456
  577    HG1  THR  73           HG1      THR  73   5.457   5.481 -20.179
  578   1HG2  THR  73          HG21      THR  73   3.082   6.262 -20.455
  579   2HG2  THR  73          HG22      THR  73   2.383   7.004 -19.008
  580   3HG2  THR  73          HG23      THR  73   3.595   7.889 -19.959
  581    H    HIS  74           H        HIS  74   6.691   7.871 -16.024
  582    HA   HIS  74           HA       HIS  74   6.790   5.368 -14.410
  583   1HB   HIS  74          HB2       HIS  74   9.108   6.761 -15.782
  584   2HB   HIS  74          HB3       HIS  74   9.262   5.519 -14.546
  585    HD1  HIS  74           HD1      HIS  74   8.978   2.995 -15.343
  586    HD2  HIS  74           HD2      HIS  74   8.026   5.927 -18.210
  587    HE1  HIS  74           HE1      HIS  74   8.547   1.753 -17.517
  588    H    ALA  75           H        ALA  75   5.492   6.671 -13.057
  589    HA   ALA  75           HA       ALA  75   6.579   8.910 -11.564
  590   1HB   ALA  75          HB1       ALA  75   4.352   6.917 -10.911
  591   2HB   ALA  75          HB2       ALA  75   4.722   8.395 -10.006
  592   3HB   ALA  75          HB3       ALA  75   4.144   8.508 -11.670
  593    H    MET  76           H        MET  76   8.464   8.570 -10.556
  594    HA   MET  76           HA       MET  76   9.681   6.312  -9.569
  595   1HB   MET  76          HB2       MET  76  10.592   8.636  -9.780
  596   2HB   MET  76          HB3       MET  76   9.640   9.129  -8.387
  597   1HG   MET  76          HG2       MET  76  10.882   7.345  -7.054
  598   2HG   MET  76          HG3       MET  76  11.941   7.155  -8.450
  599   1HE   MET  76          HE1       MET  76  13.547   9.203  -9.375
  600   2HE   MET  76          HE2       MET  76  12.147  10.298  -9.466
  601   3HE   MET  76          HE3       MET  76  13.610  10.791  -8.589
  602    H    LYS  77           H        LYS  77   8.973   4.807  -8.112
  603    HA   LYS  77           HA       LYS  77   7.323   5.703  -5.777
  604   1HB   LYS  77          HB2       LYS  77   8.075   3.010  -6.923
  605   2HB   LYS  77          HB3       LYS  77   7.371   3.199  -5.310
  606   1HG   LYS  77          HG2       LYS  77   5.349   4.247  -6.377
  607   2HG   LYS  77          HG3       LYS  77   6.082   3.964  -7.963
  608   1HD   LYS  77          HD2       LYS  77   4.599   2.135  -7.638
  609   2HD   LYS  77          HD3       LYS  77   6.219   1.486  -7.347
  610   1HE   LYS  77          HE2       LYS  77   5.770   1.962  -4.833
  611   2HE   LYS  77          HE3       LYS  77   4.093   2.262  -5.302
  612   1HZ   LYS  77          HZ1       LYS  77   4.162  -0.060  -6.264
  613   2HZ   LYS  77          HZ2       LYS  77   5.613  -0.264  -5.496
  614   3HZ   LYS  77          HZ3       LYS  77   4.260   0.021  -4.638
  615    H    ILE  78           H        ILE  78   8.260   5.464  -3.719
  616    HA   ILE  78           HA       ILE  78  11.134   4.774  -3.533
  617    HB   ILE  78           HB       ILE  78   9.936   7.244  -2.240
  618   1HG1  ILE  78          HG12      ILE  78  11.614   7.257  -4.778
  619   2HG1  ILE  78          HG13      ILE  78   9.907   7.673  -4.669
  620   1HG2  ILE  78          HG21      ILE  78  12.853   6.500  -2.635
  621   2HG2  ILE  78          HG22      ILE  78  12.216   7.857  -1.695
  622   3HG2  ILE  78          HG23      ILE  78  11.944   6.231  -1.134
  623   1HD1  ILE  78          HD11      ILE  78  10.484   9.537  -3.123
  624   2HD1  ILE  78          HD12      ILE  78  12.204   9.220  -3.435
  625   3HD1  ILE  78          HD13      ILE  78  11.142   9.691  -4.760
  626    H    THR  79           H        THR  79  11.598   3.845  -1.575
  627    HA   THR  79           HA       THR  79   9.723   3.891   0.681
  628    HB   THR  79           HB       THR  79  10.435   1.266   0.725
  629    HG1  THR  79           HG1      THR  79  11.298   1.698  -1.561
  630   1HG2  THR  79          HG21      THR  79   8.209   0.705  -0.084
  631   2HG2  THR  79          HG22      THR  79   8.115   2.176   0.891
  632   3HG2  THR  79          HG23      THR  79   8.052   2.287  -0.882
  633    H    PHE  80           H        PHE  80  10.957   3.171   2.681
  634    HA   PHE  80           HA       PHE  80  13.784   3.951   2.524
  635   1HB   PHE  80          HB2       PHE  80  12.083   2.872   4.797
  636   2HB   PHE  80          HB3       PHE  80  13.772   3.331   4.945
  637    HD1  PHE  80           HD1      PHE  80  10.371   4.539   5.017
  638    HD2  PHE  80           HD2      PHE  80  14.451   5.755   4.347
  639    HE1  PHE  80           HE1      PHE  80   9.730   6.895   5.416
  640    HE2  PHE  80           HE2      PHE  80  13.807   8.123   4.717
  641    HZ   PHE  80           HZ       PHE  80  11.431   8.688   5.262
  642    H    ALA  81           H        ALA  81  15.484   2.540   2.411
  643    HA   ALA  81           HA       ALA  81  14.952  -0.325   1.884
  644   1HB   ALA  81          HB1       ALA  81  17.405  -0.457   1.617
  645   2HB   ALA  81          HB2       ALA  81  16.742   0.835   0.603
  646   3HB   ALA  81          HB3       ALA  81  17.567   1.232   2.128
  647    H    LYS  82           H        LYS  82  16.150  -1.928   3.338
  648    HA   LYS  82           HA       LYS  82  16.142  -0.986   6.181
  649   1HB   LYS  82          HB2       LYS  82  15.243  -3.701   5.143
  650   2HB   LYS  82          HB3       LYS  82  15.352  -3.192   6.823
  651   1HG   LYS  82          HG2       LYS  82  13.185  -2.617   6.656
  652   2HG   LYS  82          HG3       LYS  82  13.767  -1.178   5.833
  653   1HD   LYS  82          HD2       LYS  82  11.980  -2.101   4.515
  654   2HD   LYS  82          HD3       LYS  82  13.475  -2.424   3.627
  655   1HE   LYS  82          HE2       LYS  82  13.507  -4.745   4.579
  656   2HE   LYS  82          HE3       LYS  82  12.010  -4.401   5.450
  657   1HZ   LYS  82          HZ1       LYS  82  10.866  -4.188   3.338
  658   2HZ   LYS  82          HZ2       LYS  82  12.268  -4.386   2.496
  659   3HZ   LYS  82          HZ3       LYS  82  11.652  -5.609   3.376
  660    H    LYS  83           H        LYS  83  18.130  -1.070   6.996
  661    HA   LYS  83           HA       LYS  83  20.343  -2.273   5.596
  662   1HB   LYS  83          HB2       LYS  83  20.194  -1.204   8.451
  663   2HB   LYS  83          HB3       LYS  83  21.667  -1.620   7.563
  664   1HG   LYS  83          HG2       LYS  83  21.005   0.071   5.798
  665   2HG   LYS  83          HG3       LYS  83  19.692   0.594   6.848
  666   1HD   LYS  83          HD2       LYS  83  22.675   0.738   7.430
  667   2HD   LYS  83          HD3       LYS  83  21.631   2.089   7.016
  668   1HE   LYS  83          HE2       LYS  83  21.521   0.429   9.578
  669   2HE   LYS  83          HE3       LYS  83  22.164   2.060   9.400
  670   1HZ   LYS  83          HZ1       LYS  83  19.334   1.252   9.210
  671   2HZ   LYS  83          HZ2       LYS  83  20.014   2.289  10.263
  672   3HZ   LYS  83          HZ3       LYS  83  19.846   2.714   8.685
  Start of MODEL    7
    1   1H    ALA   1          H1        ALA   1  11.385  -6.993  -0.989
    2   2H    ALA   1          H2        ALA   1  10.862  -7.508   0.469
    3   3H    ALA   1          H3        ALA   1  10.479  -8.358  -0.884
    4    HA   ALA   1           HA       ALA   1   9.159  -6.555  -1.720
    5   1HB   ALA   1          HB1       ALA   1   7.988  -8.243  -0.349
    6   2HB   ALA   1          HB2       ALA   1   8.381  -7.337   1.131
    7   3HB   ALA   1          HB3       ALA   1   7.306  -6.628  -0.091
    8    H    GLN   2           H        GLN   2   8.973  -4.367  -1.863
    9    HA   GLN   2           HA       GLN   2  10.463  -2.667  -0.066
   10   1HB   GLN   2          HB2       GLN   2   9.842  -0.900  -1.410
   11   2HB   GLN   2          HB3       GLN   2  10.060  -2.237  -2.522
   12   1HG   GLN   2          HG2       GLN   2   7.548  -2.513  -2.586
   13   2HG   GLN   2          HG3       GLN   2   7.405  -1.065  -1.580
   14   1HE2  GLN   2          HE22      GLN   2   9.321   0.708  -2.725
   15   2HE2  GLN   2          HE21      GLN   2   8.911   0.954  -4.414
   16    H    THR   3           H        THR   3   9.544  -1.066   1.448
   17    HA   THR   3           HA       THR   3   6.686  -1.060   1.949
   18    HB   THR   3           HB       THR   3   8.348  -1.696   4.384
   19    HG1  THR   3           HG1      THR   3   7.489  -3.652   2.550
   20   1HG2  THR   3          HG21      THR   3   5.514  -2.479   3.581
   21   2HG2  THR   3          HG22      THR   3   6.286  -2.794   5.152
   22   3HG2  THR   3          HG23      THR   3   5.959  -1.131   4.648
   23    H    GLU   4           H        GLU   4   6.122   0.813   3.245
   24    HA   GLU   4           HA       GLU   4   8.270   2.826   3.562
   25   1HB   GLU   4          HB2       GLU   4   5.268   2.927   4.119
   26   2HB   GLU   4          HB3       GLU   4   6.409   4.252   4.420
   27   1HG   GLU   4          HG2       GLU   4   7.080   4.143   1.982
   28   2HG   GLU   4          HG3       GLU   4   5.764   3.000   1.712
   29    H    GLN   5           H        GLN   5   8.873   3.520   5.749
   30    HA   GLN   5           HA       GLN   5   8.293   1.685   7.986
   31   1HB   GLN   5          HB2       GLN   5  11.000   2.039   6.594
   32   2HB   GLN   5          HB3       GLN   5  10.834   1.296   8.165
   33   1HG   GLN   5          HG2       GLN   5   9.625   0.151   5.617
   34   2HG   GLN   5          HG3       GLN   5  11.168  -0.297   6.309
   35   1HE2  GLN   5          HE22      GLN   5   7.635  -0.380   6.897
   36   2HE2  GLN   5          HE21      GLN   5   7.699  -1.691   8.064
   37    HA   PRO   6           HA       PRO   6   9.993   5.317  10.361
   38   1HB   PRO   6          HB2       PRO   6  11.924   3.213  11.366
   39   2HB   PRO   6          HB3       PRO   6  11.132   4.537  12.278
   40   1HG   PRO   6          HG2       PRO   6  10.165   2.015  12.456
   41   2HG   PRO   6          HG3       PRO   6   9.027   3.388  12.257
   42   1HD   PRO   6          HD2       PRO   6  10.048   1.469  10.159
   43   2HD   PRO   6          HD3       PRO   6   8.382   2.070  10.414
   44    HA   PRO   7           HA       PRO   7  12.879   6.226   7.308
   45   1HB   PRO   7          HB2       PRO   7  14.334   8.365   8.240
   46   2HB   PRO   7          HB3       PRO   7  12.597   8.436   7.845
   47   1HG   PRO   7          HG2       PRO   7  13.841   7.992  10.575
   48   2HG   PRO   7          HG3       PRO   7  12.568   9.172  10.116
   49   1HD   PRO   7          HD2       PRO   7  11.933   6.764  11.211
   50   2HD   PRO   7          HD3       PRO   7  10.937   7.460   9.896
   51    H    ASN   8           H        ASN   8  14.996   6.091   6.482
   52    HA   ASN   8           HA       ASN   8  17.189   5.047   8.153
   53   1HB   ASN   8          HB2       ASN   8  16.001   2.975   7.432
   54   2HB   ASN   8          HB3       ASN   8  15.942   3.567   5.777
   55   1HD2  ASN   8          HD22      ASN   8  17.223   2.032   4.756
   56   2HD2  ASN   8          HD21      ASN   8  18.932   1.845   5.103
   57    H    GLN   9           H        GLN   9  19.234   5.434   7.057
   58    HA   GLN   9           HA       GLN   9  19.120   7.721   5.338
   59   1HB   GLN   9          HB2       GLN   9  21.432   7.950   5.624
   60   2HB   GLN   9          HB3       GLN   9  20.744   7.505   7.172
   61   1HG   GLN   9          HG2       GLN   9  21.544   5.183   6.905
   62   2HG   GLN   9          HG3       GLN   9  22.175   5.565   5.297
   63   1HE2  GLN   9          HE22      GLN   9  23.701   7.635   5.280
   64   2HE2  GLN   9          HE21      GLN   9  24.899   7.639   6.557
   65    H    ILE  10           H        ILE  10  18.337   4.903   4.225
   66    HA   ILE  10           HA       ILE  10  19.701   5.174   1.648
   67    HB   ILE  10           HB       ILE  10  19.458   2.461   3.002
   68   1HG1  ILE  10          HG12      ILE  10  21.986   4.128   2.757
   69   2HG1  ILE  10          HG13      ILE  10  21.151   3.685   4.251
   70   1HG2  ILE  10          HG21      ILE  10  21.002   3.287   0.503
   71   2HG2  ILE  10          HG22      ILE  10  20.772   1.633   1.112
   72   3HG2  ILE  10          HG23      ILE  10  19.403   2.520   0.478
   73   1HD1  ILE  10          HD11      ILE  10  21.593   1.268   3.757
   74   2HD1  ILE  10          HD12      ILE  10  22.635   1.794   2.410
   75   3HD1  ILE  10          HD13      ILE  10  23.032   2.259   4.069
   76    H    LEU  11           H        LEU  11  18.284   4.629   0.014
   77    HA   LEU  11           HA       LEU  11  15.450   4.059   0.778
   78   1HB   LEU  11          HB2       LEU  11  16.501   5.873  -1.422
   79   2HB   LEU  11          HB3       LEU  11  14.810   5.557  -1.054
   80    HG   LEU  11           HG       LEU  11  16.773   7.014   0.775
   81   1HD1  LEU  11          HD11      LEU  11  14.454   8.088  -0.871
   82   2HD1  LEU  11          HD12      LEU  11  15.485   9.018   0.232
   83   3HD1  LEU  11          HD13      LEU  11  16.178   8.309  -1.232
   84   1HD2  LEU  11          HD21      LEU  11  13.801   6.399   1.083
   85   2HD2  LEU  11          HD22      LEU  11  15.142   5.890   2.137
   86   3HD2  LEU  11          HD23      LEU  11  14.678   7.592   2.063
   87    H    PHE  12           H        PHE  12  14.288   2.866  -0.780
   88    HA   PHE  12           HA       PHE  12  15.817   1.570  -2.970
   89   1HB   PHE  12          HB2       PHE  12  15.529  -0.152  -1.262
   90   2HB   PHE  12          HB3       PHE  12  13.824   0.261  -1.078
   91    HD1  PHE  12           HD1      PHE  12  16.293  -0.845  -3.699
   92    HD2  PHE  12           HD2      PHE  12  12.187  -0.868  -2.403
   93    HE1  PHE  12           HE1      PHE  12  15.743  -2.457  -5.496
   94    HE2  PHE  12           HE2      PHE  12  11.647  -2.518  -4.183
   95    HZ   PHE  12           HZ       PHE  12  13.414  -3.308  -5.734
   96    H    LEU  13           H        LEU  13  14.662   1.611  -4.872
   97    HA   LEU  13           HA       LEU  13  12.084   3.107  -4.832
   98   1HB   LEU  13          HB2       LEU  13  14.591   3.581  -6.492
   99   2HB   LEU  13          HB3       LEU  13  12.990   4.136  -6.954
  100    HG   LEU  13           HG       LEU  13  12.821   5.518  -4.924
  101   1HD1  LEU  13          HD11      LEU  13  15.648   4.533  -4.436
  102   2HD1  LEU  13          HD12      LEU  13  15.094   6.118  -3.838
  103   3HD1  LEU  13          HD13      LEU  13  14.281   4.655  -3.306
  104   1HD2  LEU  13          HD21      LEU  13  14.439   7.216  -5.780
  105   2HD2  LEU  13          HD22      LEU  13  15.190   5.960  -6.776
  106   3HD2  LEU  13          HD23      LEU  13  13.504   6.454  -7.063
  107    H    THR  14           H        THR  14  10.792   2.764  -6.654
  108    HA   THR  14           HA       THR  14  11.458   0.588  -8.537
  109    HB   THR  14           HB       THR  14   9.261  -0.510  -8.067
  110    HG1  THR  14           HG1      THR  14   8.282  -0.067  -6.083
  111   1HG2  THR  14          HG21      THR  14   9.916  -1.758  -6.122
  112   2HG2  THR  14          HG22      THR  14  11.408  -1.349  -6.982
  113   3HG2  THR  14          HG23      THR  14  10.945  -0.442  -5.529
  114    H    ASN  15           H        ASN  15   9.462   0.363 -10.086
  115    HA   ASN  15           HA       ASN  15   8.368   1.192 -11.798
  116   1HB   ASN  15          HB2       ASN  15   6.746   1.684  -9.917
  117   2HB   ASN  15          HB3       ASN  15   7.328   3.352  -9.947
  118   1HD2  ASN  15          HD22      ASN  15   5.796   4.605 -10.978
  119   2HD2  ASN  15          HD21      ASN  15   4.842   4.091 -12.363
  120    H    LEU  16           H        LEU  16  11.061   2.150 -11.461
  121    HA   LEU  16           HA       LEU  16  11.237   4.903 -12.454
  122   1HB   LEU  16          HB2       LEU  16  13.354   2.736 -12.550
  123   2HB   LEU  16          HB3       LEU  16  13.596   4.464 -12.568
  124    HG   LEU  16           HG       LEU  16  12.634   2.855 -10.170
  125   1HD1  LEU  16          HD11      LEU  16  15.306   4.178 -10.716
  126   2HD1  LEU  16          HD12      LEU  16  14.804   3.308  -9.243
  127   3HD1  LEU  16          HD13      LEU  16  14.979   2.442 -10.785
  128   1HD2  LEU  16          HD21      LEU  16  11.763   5.195 -10.212
  129   2HD2  LEU  16          HD22      LEU  16  12.937   4.943  -8.923
  130   3HD2  LEU  16          HD23      LEU  16  13.441   5.783 -10.388
  131    HA   PRO  17           HA       PRO  17  11.027   4.058 -16.891
  132   1HB   PRO  17          HB2       PRO  17  13.848   5.020 -17.127
  133   2HB   PRO  17          HB3       PRO  17  12.407   5.471 -18.078
  134   1HG   PRO  17          HG2       PRO  17  13.473   7.024 -16.079
  135   2HG   PRO  17          HG3       PRO  17  11.727   7.015 -16.457
  136   1HD   PRO  17          HD2       PRO  17  13.103   5.864 -14.119
  137   2HD   PRO  17          HD3       PRO  17  11.401   6.316 -14.316
  138    H    GLU  18           H        GLU  18  11.705   2.341 -18.313
  139    HA   GLU  18           HA       GLU  18  13.394   0.235 -17.253
  140   1HB   GLU  18          HB2       GLU  18  12.181   0.690 -20.016
  141   2HB   GLU  18          HB3       GLU  18  13.027  -0.782 -19.516
  142   1HG   GLU  18          HG2       GLU  18  11.366  -1.110 -17.686
  143   2HG   GLU  18          HG3       GLU  18  10.470   0.299 -18.259
  144    H    GLU  19           H        GLU  19  14.288   3.187 -18.321
  145    HA   GLU  19           HA       GLU  19  16.806   2.292 -19.476
  146   1HB   GLU  19          HB2       GLU  19  15.212   4.751 -20.314
  147   2HB   GLU  19          HB3       GLU  19  16.695   4.143 -21.063
  148   1HG   GLU  19          HG2       GLU  19  15.416   2.041 -21.686
  149   2HG   GLU  19          HG3       GLU  19  13.944   2.831 -21.100
  150    H    THR  20           H        THR  20  15.800   3.300 -16.678
  151    HA   THR  20           HA       THR  20  16.927   5.858 -16.134
  152    HB   THR  20           HB       THR  20  16.716   3.539 -14.188
  153    HG1  THR  20           HG1      THR  20  14.710   3.594 -14.959
  154   1HG2  THR  20          HG21      THR  20  16.105   5.382 -12.612
  155   2HG2  THR  20          HG22      THR  20  17.732   5.622 -13.263
  156   3HG2  THR  20          HG23      THR  20  16.366   6.571 -13.899
  157    H    ASN  21           H        ASN  21  18.918   6.425 -15.258
  158    HA   ASN  21           HA       ASN  21  21.079   4.421 -15.250
  159   1HB   ASN  21          HB2       ASN  21  21.244   5.577 -17.437
  160   2HB   ASN  21          HB3       ASN  21  21.157   7.148 -16.639
  161   1HD2  ASN  21          HD22      ASN  21  23.233   4.260 -17.115
  162   2HD2  ASN  21          HD21      ASN  21  24.696   5.037 -16.576
  163    H    GLU  22           H        GLU  22  22.817   5.124 -13.817
  164    HA   GLU  22           HA       GLU  22  22.078   6.094 -11.337
  165   1HB   GLU  22          HB2       GLU  22  24.135   4.794 -12.099
  166   2HB   GLU  22          HB3       GLU  22  24.827   6.330 -12.628
  167   1HG   GLU  22          HG2       GLU  22  24.591   7.162 -10.252
  168   2HG   GLU  22          HG3       GLU  22  24.025   5.546  -9.800
  169    H    MET  23           H        MET  23  23.328   7.964 -14.101
  170    HA   MET  23           HA       MET  23  23.742  10.406 -12.707
  171   1HB   MET  23          HB2       MET  23  23.093   9.872 -15.635
  172   2HB   MET  23          HB3       MET  23  23.593  11.442 -14.990
  173   1HG   MET  23          HG2       MET  23  25.714  10.468 -14.191
  174   2HG   MET  23          HG3       MET  23  25.252   8.896 -14.847
  175   1HE   MET  23          HE1       MET  23  28.172   9.954 -17.208
  176   2HE   MET  23          HE2       MET  23  28.027  10.263 -15.464
  177   3HE   MET  23          HE3       MET  23  27.522   8.695 -16.136
  178    H    MET  24           H        MET  24  20.772   9.029 -14.106
  179    HA   MET  24           HA       MET  24  19.289  11.481 -14.250
  180   1HB   MET  24          HB2       MET  24  18.235   8.613 -13.876
  181   2HB   MET  24          HB3       MET  24  17.262  10.037 -14.250
  182   1HG   MET  24          HG2       MET  24  18.632  10.352 -16.321
  183   2HG   MET  24          HG3       MET  24  19.446   8.820 -15.945
  184   1HE   MET  24          HE1       MET  24  18.889   7.684 -18.224
  185   2HE   MET  24          HE2       MET  24  17.285   7.732 -18.984
  186   3HE   MET  24          HE3       MET  24  18.199   9.238 -18.752
  187    H    LEU  25           H        LEU  25  19.317   8.889 -11.803
  188    HA   LEU  25           HA       LEU  25  17.637  10.423 -10.022
  189   1HB   LEU  25          HB2       LEU  25  19.414   8.053  -9.360
  190   2HB   LEU  25          HB3       LEU  25  18.158   8.730  -8.335
  191    HG   LEU  25           HG       LEU  25  17.869   7.139 -10.900
  192   1HD1  LEU  25          HD11      LEU  25  16.404   5.773  -9.411
  193   2HD1  LEU  25          HD12      LEU  25  18.060   5.908  -8.800
  194   3HD1  LEU  25          HD13      LEU  25  16.772   6.885  -8.072
  195   1HD2  LEU  25          HD21      LEU  25  15.751   8.892  -9.594
  196   2HD2  LEU  25          HD22      LEU  25  16.319   8.922 -11.288
  197   3HD2  LEU  25          HD23      LEU  25  15.389   7.543 -10.704
  198    H    SER  26           H        SER  26  21.201  10.072 -10.416
  199    HA   SER  26           HA       SER  26  21.879  11.322  -7.966
  200   1HB   SER  26          HB2       SER  26  23.365  11.435 -10.624
  201   2HB   SER  26          HB3       SER  26  24.028  11.865  -9.037
  202    HG   SER  26           HG       SER  26  23.151   9.332  -9.965
  203    H    MET  27           H        MET  27  21.196  12.779 -11.199
  204    HA   MET  27           HA       MET  27  21.553  15.490 -10.351
  205   1HB   MET  27          HB2       MET  27  19.782  14.275 -12.520
  206   2HB   MET  27          HB3       MET  27  19.993  16.009 -12.292
  207   1HG   MET  27          HG2       MET  27  22.223  14.038 -12.818
  208   2HG   MET  27          HG3       MET  27  21.452  15.020 -14.055
  209   1HE   MET  27          HE1       MET  27  21.190  17.937 -12.666
  210   2HE   MET  27          HE2       MET  27  22.714  18.638 -13.242
  211   3HE   MET  27          HE3       MET  27  21.749  17.610 -14.323
  212    H    LEU  28           H        LEU  28  18.673  13.357 -10.404
  213    HA   LEU  28           HA       LEU  28  16.887  15.417  -9.537
  214   1HB   LEU  28          HB2       LEU  28  16.665  12.396  -9.312
  215   2HB   LEU  28          HB3       LEU  28  15.371  13.491  -8.837
  216    HG   LEU  28           HG       LEU  28  16.547  13.370 -11.640
  217   1HD1  LEU  28          HD11      LEU  28  14.494  12.207 -12.280
  218   2HD1  LEU  28          HD12      LEU  28  15.332  11.292 -11.021
  219   3HD1  LEU  28          HD13      LEU  28  13.904  12.269 -10.606
  220   1HD2  LEU  28          HD21      LEU  28  14.115  14.843 -10.545
  221   2HD2  LEU  28          HD22      LEU  28  15.584  15.573 -11.235
  222   3HD2  LEU  28          HD23      LEU  28  14.500  14.655 -12.271
  223    H    PHE  29           H        PHE  29  18.514  12.901  -7.574
  224    HA   PHE  29           HA       PHE  29  17.285  14.018  -5.161
  225   1HB   PHE  29          HB2       PHE  29  19.198  11.711  -5.674
  226   2HB   PHE  29          HB3       PHE  29  18.778  12.269  -4.062
  227    HD1  PHE  29           HD1      PHE  29  16.849  11.626  -2.936
  228    HD2  PHE  29           HD2      PHE  29  17.192  10.881  -7.169
  229    HE1  PHE  29           HE1      PHE  29  14.798  10.239  -2.859
  230    HE2  PHE  29           HE2      PHE  29  15.151   9.483  -7.082
  231    HZ   PHE  29           HZ       PHE  29  13.951   9.173  -4.937
  232    H    ASN  30           H        ASN  30  20.517  14.406  -6.710
  233    HA   ASN  30           HA       ASN  30  21.834  15.245  -4.359
  234   1HB   ASN  30          HB2       ASN  30  23.038  14.612  -6.343
  235   2HB   ASN  30          HB3       ASN  30  22.408  16.019  -7.222
  236   1HD2  ASN  30          HD22      ASN  30  23.986  17.609  -7.397
  237   2HD2  ASN  30          HD21      ASN  30  25.174  17.965  -6.172
  238    H    GLN  31           H        GLN  31  19.309  16.849  -6.031
  239    HA   GLN  31           HA       GLN  31  19.822  19.576  -5.516
  240   1HB   GLN  31          HB2       GLN  31  17.211  18.000  -5.437
  241   2HB   GLN  31          HB3       GLN  31  17.325  19.762  -5.419
  242   1HG   GLN  31          HG2       GLN  31  18.473  19.717  -7.628
  243   2HG   GLN  31          HG3       GLN  31  18.295  17.961  -7.676
  244   1HE2  GLN  31          HE22      GLN  31  16.018  17.084  -7.551
  245   2HE2  GLN  31          HE21      GLN  31  14.731  18.028  -8.290
  246    H    PHE  32           H        PHE  32  18.968  16.912  -3.292
  247    HA   PHE  32           HA       PHE  32  18.319  18.790  -1.126
  248   1HB   PHE  32          HB2       PHE  32  18.553  15.771  -1.016
  249   2HB   PHE  32          HB3       PHE  32  17.772  16.817   0.160
  250    HD1  PHE  32           HD1      PHE  32  17.193  14.662  -2.575
  251    HD2  PHE  32           HD2      PHE  32  15.825  18.419  -0.966
  252    HE1  PHE  32           HE1      PHE  32  15.187  14.521  -3.986
  253    HE2  PHE  32           HE2      PHE  32  13.804  18.276  -2.402
  254    HZ   PHE  32           HZ       PHE  32  13.516  16.343  -3.958
  255    HA   PRO  33           HA       PRO  33  22.619  18.884  -0.041
  256   1HB   PRO  33          HB2       PRO  33  22.571  20.234   2.337
  257   2HB   PRO  33          HB3       PRO  33  22.045  20.962   0.798
  258   1HG   PRO  33          HG2       PRO  33  20.294  19.655   2.906
  259   2HG   PRO  33          HG3       PRO  33  20.106  21.277   2.166
  260   1HD   PRO  33          HD2       PRO  33  18.753  19.103   1.229
  261   2HD   PRO  33          HD3       PRO  33  19.368  20.370   0.126
  262    H    GLY  34           H        GLY  34  21.320  16.321   0.534
  263   1HA   GLY  34          HA2       GLY  34  23.062  15.342   2.736
  264   2HA   GLY  34          HA3       GLY  34  21.332  14.946   2.728
  265    H    PHE  35           H        PHE  35  21.961  14.988  -0.529
  266    HA   PHE  35           HA       PHE  35  21.883  12.216  -0.887
  267   1HB   PHE  35          HB2       PHE  35  21.188  13.841  -2.541
  268   2HB   PHE  35          HB3       PHE  35  22.786  14.584  -2.552
  269    HD1  PHE  35           HD1      PHE  35  24.652  13.615  -3.795
  270    HD2  PHE  35           HD2      PHE  35  20.792  11.703  -3.723
  271    HE1  PHE  35           HE1      PHE  35  25.311  12.185  -5.725
  272    HE2  PHE  35           HE2      PHE  35  21.440  10.317  -5.661
  273    HZ   PHE  35           HZ       PHE  35  23.695  10.557  -6.661
  274    H    LYS  36           H        LYS  36  23.421  10.755  -1.460
  275    HA   LYS  36           HA       LYS  36  26.293  11.554  -1.417
  276   1HB   LYS  36          HB2       LYS  36  25.130   9.032  -0.171
  277   2HB   LYS  36          HB3       LYS  36  26.830   9.414  -0.380
  278   1HG   LYS  36          HG2       LYS  36  26.572  11.382   1.151
  279   2HG   LYS  36          HG3       LYS  36  24.855  11.002   1.332
  280   1HD   LYS  36          HD2       LYS  36  26.005  10.099   3.252
  281   2HD   LYS  36          HD3       LYS  36  25.480   8.743   2.238
  282   1HE   LYS  36          HE2       LYS  36  27.863   9.008   1.164
  283   2HE   LYS  36          HE3       LYS  36  28.229   9.939   2.622
  284   1HZ   LYS  36          HZ1       LYS  36  27.553   7.907   3.892
  285   2HZ   LYS  36          HZ2       LYS  36  27.368   7.095   2.460
  286   3HZ   LYS  36          HZ3       LYS  36  28.838   7.636   2.924
  287    H    GLU  37           H        GLU  37  23.981   8.847  -2.369
  288    HA   GLU  37           HA       GLU  37  25.486   8.622  -4.895
  289   1HB   GLU  37          HB2       GLU  37  26.680   7.401  -2.827
  290   2HB   GLU  37          HB3       GLU  37  25.473   6.157  -3.134
  291   1HG   GLU  37          HG2       GLU  37  26.314   5.929  -5.458
  292   2HG   GLU  37          HG3       GLU  37  27.412   7.282  -5.208
  293    H    VAL  38           H        VAL  38  24.717   6.717  -6.205
  294    HA   VAL  38           HA       VAL  38  21.967   5.761  -5.663
  295    HB   VAL  38           HB       VAL  38  23.057   6.935  -8.260
  296   1HG1  VAL  38          HG11      VAL  38  20.871   6.488  -9.273
  297   2HG1  VAL  38          HG12      VAL  38  21.630   4.995  -8.804
  298   3HG1  VAL  38          HG13      VAL  38  20.327   5.661  -7.790
  299   1HG2  VAL  38          HG21      VAL  38  20.766   7.875  -6.504
  300   2HG2  VAL  38          HG22      VAL  38  22.346   8.662  -6.741
  301   3HG2  VAL  38          HG23      VAL  38  21.229   8.553  -8.083
  302    H    ARG  39           H        ARG  39  21.614   3.654  -6.537
  303    HA   ARG  39           HA       ARG  39  23.738   2.398  -8.156
  304   1HB   ARG  39          HB2       ARG  39  24.304   1.743  -5.866
  305   2HB   ARG  39          HB3       ARG  39  22.651   1.241  -5.549
  306   1HG   ARG  39          HG2       ARG  39  24.163  -0.648  -5.893
  307   2HG   ARG  39          HG3       ARG  39  22.859  -0.648  -7.078
  308   1HD   ARG  39          HD2       ARG  39  24.321  -0.013  -8.858
  309   2HD   ARG  39          HD3       ARG  39  25.538   0.606  -7.738
  310    HE   ARG  39           HE       ARG  39  26.463  -1.431  -7.526
  311   1HH1  ARG  39          HH21      ARG  39  23.280  -1.960  -9.059
  312   2HH1  ARG  39          HH22      ARG  39  23.509  -3.674  -9.179
  313   1HH2  ARG  39          HH11      ARG  39  26.767  -3.669  -7.803
  314   2HH2  ARG  39          HH12      ARG  39  25.553  -4.645  -8.531
  315    H    LEU  40           H        LEU  40  22.558   2.021  -9.976
  316    HA   LEU  40           HA       LEU  40  19.710   1.282  -9.919
  317   1HB   LEU  40          HB2       LEU  40  21.839   1.705 -12.056
  318   2HB   LEU  40          HB3       LEU  40  20.451   0.726 -12.458
  319    HG   LEU  40           HG       LEU  40  20.274   3.075 -13.178
  320   1HD1  LEU  40          HD11      LEU  40  17.901   3.380 -12.293
  321   2HD1  LEU  40          HD12      LEU  40  18.263   1.844 -13.092
  322   3HD1  LEU  40          HD13      LEU  40  18.157   1.929 -11.329
  323   1HD2  LEU  40          HD21      LEU  40  19.790   4.867 -11.649
  324   2HD2  LEU  40          HD22      LEU  40  19.789   3.770 -10.253
  325   3HD2  LEU  40          HD23      LEU  40  21.302   4.097 -11.127
  326    H    VAL  41           H        VAL  41  19.169  -0.765 -11.131
  327    HA   VAL  41           HA       VAL  41  21.080  -2.980 -10.529
  328    HB   VAL  41           HB       VAL  41  18.064  -3.144 -10.799
  329   1HG1  VAL  41          HG11      VAL  41  19.210  -5.203 -11.544
  330   2HG1  VAL  41          HG12      VAL  41  20.137  -5.246 -10.027
  331   3HG1  VAL  41          HG13      VAL  41  18.375  -5.463 -10.014
  332   1HG2  VAL  41          HG21      VAL  41  18.620  -2.054  -8.678
  333   2HG2  VAL  41          HG22      VAL  41  18.155  -3.726  -8.354
  334   3HG2  VAL  41          HG23      VAL  41  19.870  -3.272  -8.339
  335    HA   PRO  42           HA       PRO  42  21.089  -2.105 -14.973
  336   1HB   PRO  42          HB2       PRO  42  23.543  -3.186 -15.674
  337   2HB   PRO  42          HB3       PRO  42  23.334  -1.640 -14.806
  338   1HG   PRO  42          HG2       PRO  42  23.839  -4.381 -13.604
  339   2HG   PRO  42          HG3       PRO  42  24.732  -2.855 -13.290
  340   1HD   PRO  42          HD2       PRO  42  22.756  -3.675 -11.640
  341   2HD   PRO  42          HD3       PRO  42  22.903  -1.938 -12.069
  342    H    ASN  43           H        ASN  43  19.774  -4.389 -13.861
  343    HA   ASN  43           HA       ASN  43  19.455  -5.966 -16.286
  344   1HB   ASN  43          HB2       ASN  43  19.399  -7.169 -13.481
  345   2HB   ASN  43          HB3       ASN  43  18.914  -8.005 -14.946
  346   1HD2  ASN  43          HD22      ASN  43  21.657  -6.989 -13.017
  347   2HD2  ASN  43          HD21      ASN  43  22.881  -7.731 -14.012
  348    H    ARG  44           H        ARG  44  18.077  -4.076 -13.721
  349    HA   ARG  44           HA       ARG  44  15.420  -4.215 -14.859
  350   1HB   ARG  44          HB2       ARG  44  16.136  -5.146 -12.044
  351   2HB   ARG  44          HB3       ARG  44  14.679  -4.211 -12.315
  352   1HG   ARG  44          HG2       ARG  44  14.025  -5.931 -14.114
  353   2HG   ARG  44          HG3       ARG  44  15.333  -6.935 -13.456
  354   1HD   ARG  44          HD2       ARG  44  13.247  -7.558 -12.385
  355   2HD   ARG  44          HD3       ARG  44  14.273  -6.732 -11.188
  356    HE   ARG  44           HE       ARG  44  12.703  -4.731 -12.349
  357   1HH1  ARG  44          HH21      ARG  44  12.119  -7.663 -10.407
  358   2HH1  ARG  44          HH22      ARG  44  10.684  -7.058  -9.669
  359   1HH2  ARG  44          HH11      ARG  44  10.786  -3.939 -11.407
  360   2HH2  ARG  44          HH12      ARG  44   9.903  -4.891 -10.251
  361    H    HIS  45           H        HIS  45  16.592  -2.151 -15.566
  362    HA   HIS  45           HA       HIS  45  17.459  -0.228 -13.731
  363   1HB   HIS  45          HB2       HIS  45  15.950   0.387 -16.301
  364   2HB   HIS  45          HB3       HIS  45  17.138   1.403 -15.499
  365    HD1  HIS  45           HD1      HIS  45  17.020  -0.402 -18.499
  366    HD2  HIS  45           HD2      HIS  45  19.655  -0.361 -15.211
  367    HE1  HIS  45           HE1      HIS  45  19.237  -1.369 -19.336
  368    H    ASP  46           H        ASP  46  14.273  -1.474 -13.937
  369    HA   ASP  46           HA       ASP  46  12.793   0.978 -13.551
  370   1HB   ASP  46          HB2       ASP  46  10.867  -0.306 -13.551
  371   2HB   ASP  46          HB3       ASP  46  11.905  -1.079 -14.744
  372    H    ILE  47           H        ILE  47  14.798  -0.915 -11.526
  373    HA   ILE  47           HA       ILE  47  13.583   0.366  -9.157
  374    HB   ILE  47           HB       ILE  47  13.992  -1.535  -7.803
  375   1HG1  ILE  47          HG12      ILE  47  15.758  -2.413 -10.041
  376   2HG1  ILE  47          HG13      ILE  47  16.019  -2.420  -8.306
  377   1HG2  ILE  47          HG21      ILE  47  12.458  -3.167  -8.646
  378   2HG2  ILE  47          HG22      ILE  47  11.927  -1.600  -9.263
  379   3HG2  ILE  47          HG23      ILE  47  12.790  -2.716 -10.330
  380   1HD1  ILE  47          HD11      ILE  47  14.502  -4.407  -8.170
  381   2HD1  ILE  47          HD12      ILE  47  14.409  -4.360  -9.967
  382   3HD1  ILE  47          HD13      ILE  47  15.960  -4.662  -9.165
  383    H    ALA  48           H        ALA  48  15.211   0.685  -7.399
  384    HA   ALA  48           HA       ALA  48  18.042   0.677  -8.077
  385   1HB   ALA  48          HB1       ALA  48  18.374   3.113  -8.124
  386   2HB   ALA  48          HB2       ALA  48  17.232   2.687  -9.399
  387   3HB   ALA  48          HB3       ALA  48  16.641   3.390  -7.876
  388    H    PHE  49           H        PHE  49  19.280   1.989  -6.419
  389    HA   PHE  49           HA       PHE  49  17.889   2.286  -3.829
  390   1HB   PHE  49          HB2       PHE  49  20.677   1.163  -4.327
  391   2HB   PHE  49          HB3       PHE  49  20.085   1.668  -2.758
  392    HD1  PHE  49           HD1      PHE  49  19.562  -0.826  -5.500
  393    HD2  PHE  49           HD2      PHE  49  18.757   0.231  -1.393
  394    HE1  PHE  49           HE1      PHE  49  18.659  -3.103  -5.093
  395    HE2  PHE  49           HE2      PHE  49  17.897  -2.065  -0.977
  396    HZ   PHE  49           HZ       PHE  49  17.851  -3.733  -2.823
  397    H    VAL  50           H        VAL  50  18.708   4.094  -2.618
  398    HA   VAL  50           HA       VAL  50  20.673   5.882  -3.936
  399    HB   VAL  50           HB       VAL  50  17.975   6.789  -2.841
  400   1HG1  VAL  50          HG11      VAL  50  20.134   8.361  -4.303
  401   2HG1  VAL  50          HG12      VAL  50  18.551   8.981  -3.789
  402   3HG1  VAL  50          HG13      VAL  50  19.744   8.486  -2.581
  403   1HG2  VAL  50          HG21      VAL  50  17.590   5.662  -4.976
  404   2HG2  VAL  50          HG22      VAL  50  17.366   7.402  -5.149
  405   3HG2  VAL  50          HG23      VAL  50  18.858   6.630  -5.747
  406    H    GLU  51           H        GLU  51  21.925   7.013  -2.368
  407    HA   GLU  51           HA       GLU  51  21.562   6.123   0.461
  408   1HB   GLU  51          HB2       GLU  51  23.342   4.822  -0.626
  409   2HB   GLU  51          HB3       GLU  51  24.136   6.316  -1.162
  410   1HG   GLU  51          HG2       GLU  51  24.451   7.013   1.179
  411   2HG   GLU  51          HG3       GLU  51  23.651   5.548   1.751
  412    H    PHE  52           H        PHE  52  21.926   7.632   1.986
  413    HA   PHE  52           HA       PHE  52  22.532  10.427   1.201
  414   1HB   PHE  52          HB2       PHE  52  20.041   9.151   2.188
  415   2HB   PHE  52          HB3       PHE  52  20.519  10.570   3.099
  416    HD1  PHE  52           HD1      PHE  52  20.017   9.424  -0.448
  417    HD2  PHE  52           HD2      PHE  52  19.781  12.661   2.383
  418    HE1  PHE  52           HE1      PHE  52  19.055  10.881  -2.198
  419    HE2  PHE  52           HE2      PHE  52  18.787  14.115   0.639
  420    HZ   PHE  52           HZ       PHE  52  18.482  13.241  -1.673
  421    H    THR  53           H        THR  53  22.903  11.750   3.036
  422    HA   THR  53           HA       THR  53  24.811  10.814   4.915
  423    HB   THR  53           HB       THR  53  23.157  13.368   4.708
  424    HG1  THR  53           HG1      THR  53  24.443  13.071   2.937
  425   1HG2  THR  53          HG21      THR  53  25.623  12.798   6.393
  426   2HG2  THR  53          HG22      THR  53  24.987  14.427   6.039
  427   3HG2  THR  53          HG23      THR  53  24.004  13.276   6.954
  428    H    THR  54           H        THR  54  21.346  11.818   5.398
  429    HA   THR  54           HA       THR  54  21.388  10.378   7.982
  430    HB   THR  54           HB       THR  54  19.983  12.611   8.602
  431    HG1  THR  54           HG1      THR  54  21.101  14.399   7.834
  432   1HG2  THR  54          HG21      THR  54  23.009  12.330   8.775
  433   2HG2  THR  54          HG22      THR  54  22.013  13.447   9.734
  434   3HG2  THR  54          HG23      THR  54  21.818  11.698   9.926
  435    H    GLU  55           H        GLU  55  19.486   9.808   8.773
  436    HA   GLU  55           HA       GLU  55  17.705   8.633   6.934
  437   1HB   GLU  55          HB2       GLU  55  17.046   9.199   9.857
  438   2HB   GLU  55          HB3       GLU  55  16.446   7.912   8.823
  439   1HG   GLU  55          HG2       GLU  55  17.919   6.695  10.007
  440   2HG   GLU  55          HG3       GLU  55  18.996   7.190   8.715
  441    H    LEU  56           H        LEU  56  17.407  11.656   8.816
  442    HA   LEU  56           HA       LEU  56  14.675  12.159   8.053
  443   1HB   LEU  56          HB2       LEU  56  16.883  13.791   9.343
  444   2HB   LEU  56          HB3       LEU  56  15.425  14.587   8.788
  445    HG   LEU  56           HG       LEU  56  15.325  14.115  11.162
  446   1HD1  LEU  56          HD11      LEU  56  13.101  13.188  11.281
  447   2HD1  LEU  56          HD12      LEU  56  13.226  14.182   9.822
  448   3HD1  LEU  56          HD13      LEU  56  13.266  12.408   9.700
  449   1HD2  LEU  56          HD21      LEU  56  15.290  11.142  10.501
  450   2HD2  LEU  56          HD22      LEU  56  16.658  12.019  11.229
  451   3HD2  LEU  56          HD23      LEU  56  15.123  11.891  12.097
  452    H    GLN  57           H        GLN  57  17.828  13.101   6.604
  453    HA   GLN  57           HA       GLN  57  16.550  14.907   4.703
  454   1HB   GLN  57          HB2       GLN  57  19.307  13.597   4.653
  455   2HB   GLN  57          HB3       GLN  57  18.711  14.815   3.510
  456   1HG   GLN  57          HG2       GLN  57  18.232  16.293   5.585
  457   2HG   GLN  57          HG3       GLN  57  19.236  15.147   6.482
  458   1HE2  GLN  57          HE22      GLN  57  21.529  14.910   5.789
  459   2HE2  GLN  57          HE21      GLN  57  22.298  16.220   4.890
  460    H    SER  58           H        SER  58  17.592  11.482   4.692
  461    HA   SER  58           HA       SER  58  16.761  10.777   2.093
  462   1HB   SER  58          HB2       SER  58  16.355   9.047   4.567
  463   2HB   SER  58          HB3       SER  58  16.638   8.531   2.901
  464    HG   SER  58           HG       SER  58  18.480   9.898   4.613
  465    H    ASN  59           H        ASN  59  14.823  10.902   5.151
  466    HA   ASN  59           HA       ASN  59  12.353  10.195   3.998
  467   1HB   ASN  59          HB2       ASN  59  12.676  10.283   6.432
  468   2HB   ASN  59          HB3       ASN  59  12.911  12.023   6.367
  469   1HD2  ASN  59          HD22      ASN  59  11.092  13.281   6.745
  470   2HD2  ASN  59          HD21      ASN  59   9.456  12.721   6.535
  471    H    ALA  60           H        ALA  60  13.745  13.479   4.456
  472    HA   ALA  60           HA       ALA  60  11.518  14.827   3.335
  473   1HB   ALA  60          HB1       ALA  60  13.258  15.956   4.643
  474   2HB   ALA  60          HB2       ALA  60  14.437  15.689   3.331
  475   3HB   ALA  60          HB3       ALA  60  13.024  16.736   3.066
  476    H    ALA  61           H        ALA  61  14.441  13.549   1.724
  477    HA   ALA  61           HA       ALA  61  13.783  14.469  -0.901
  478   1HB   ALA  61          HB1       ALA  61  16.034  13.650  -0.269
  479   2HB   ALA  61          HB2       ALA  61  15.383  12.003  -0.073
  480   3HB   ALA  61          HB3       ALA  61  15.364  12.782  -1.669
  481    H    LYS  62           H        LYS  62  13.008  11.412   0.830
  482    HA   LYS  62           HA       LYS  62  11.589  10.128  -1.260
  483   1HB   LYS  62          HB2       LYS  62  12.233   8.879   0.676
  484   2HB   LYS  62          HB3       LYS  62  11.438   9.997   1.769
  485   1HG   LYS  62          HG2       LYS  62   9.215   9.298   0.878
  486   2HG   LYS  62          HG3       LYS  62  10.034   8.090  -0.122
  487   1HD   LYS  62          HD2       LYS  62  10.915   6.975   1.862
  488   2HD   LYS  62          HD3       LYS  62  10.284   8.246   2.923
  489   1HE   LYS  62          HE2       LYS  62   8.494   6.597   1.098
  490   2HE   LYS  62          HE3       LYS  62   8.914   6.058   2.726
  491   1HZ   LYS  62          HZ1       LYS  62   7.767   7.857   3.663
  492   2HZ   LYS  62          HZ2       LYS  62   7.648   8.714   2.287
  493   3HZ   LYS  62          HZ3       LYS  62   6.780   7.317   2.462
  494    H    GLU  63           H        GLU  63  10.285  12.275   1.380
  495    HA   GLU  63           HA       GLU  63   7.655  12.193   0.338
  496   1HB   GLU  63          HB2       GLU  63   8.989  14.393   1.975
  497   2HB   GLU  63          HB3       GLU  63   7.255  14.236   1.704
  498   1HG   GLU  63          HG2       GLU  63   9.031  12.342   3.279
  499   2HG   GLU  63          HG3       GLU  63   7.804  13.408   3.903
  500    H    ALA  64           H        ALA  64  10.376  14.299  -0.507
  501    HA   ALA  64           HA       ALA  64   8.894  16.167  -2.072
  502   1HB   ALA  64          HB1       ALA  64  11.152  16.611  -1.182
  503   2HB   ALA  64          HB2       ALA  64  11.821  15.344  -2.238
  504   3HB   ALA  64          HB3       ALA  64  11.107  16.806  -2.946
  505    H    LEU  65           H        LEU  65  10.572  13.093  -2.979
  506    HA   LEU  65           HA       LEU  65   9.704  13.549  -5.801
  507   1HB   LEU  65          HB2       LEU  65  12.000  11.960  -4.618
  508   2HB   LEU  65          HB3       LEU  65  11.550  11.918  -6.319
  509    HG   LEU  65           HG       LEU  65  12.533  14.362  -4.810
  510   1HD1  LEU  65          HD11      LEU  65  13.819  12.642  -6.980
  511   2HD1  LEU  65          HD12      LEU  65  14.519  14.116  -6.275
  512   3HD1  LEU  65          HD13      LEU  65  14.272  12.678  -5.268
  513   1HD2  LEU  65          HD21      LEU  65  12.656  15.439  -7.059
  514   2HD2  LEU  65          HD22      LEU  65  11.795  14.050  -7.755
  515   3HD2  LEU  65          HD23      LEU  65  10.996  15.112  -6.571
  516    H    GLN  66           H        GLN  66   8.584  11.661  -3.236
  517    HA   GLN  66           HA       GLN  66   8.006   9.260  -4.638
  518   1HB   GLN  66          HB2       GLN  66   6.686  10.734  -2.359
  519   2HB   GLN  66          HB3       GLN  66   5.749   9.492  -3.198
  520   1HG   GLN  66          HG2       GLN  66   7.581   7.850  -2.850
  521   2HG   GLN  66          HG3       GLN  66   8.452   9.028  -1.883
  522   1HE2  GLN  66          HE22      GLN  66   7.312   6.354  -1.111
  523   2HE2  GLN  66          HE21      GLN  66   6.208   6.689   0.225
  524    H    GLY  67           H        GLY  67   6.838   8.822  -6.343
  525   1HA   GLY  67          HA2       GLY  67   5.184   8.878  -7.908
  526   2HA   GLY  67          HA3       GLY  67   4.425  10.256  -7.102
  527    H    PHE  68           H        PHE  68   7.803  10.797  -7.784
  528    HA   PHE  68           HA       PHE  68   7.101  12.967  -9.581
  529   1HB   PHE  68          HB2       PHE  68   8.925  13.166  -7.969
  530   2HB   PHE  68          HB3       PHE  68   9.773  11.814  -8.706
  531    HD1  PHE  68           HD1      PHE  68   8.862  15.381  -9.053
  532    HD2  PHE  68           HD2      PHE  68  10.977  12.066 -10.836
  533    HE1  PHE  68           HE1      PHE  68  10.067  16.950 -10.552
  534    HE2  PHE  68           HE2      PHE  68  12.174  13.640 -12.330
  535    HZ   PHE  68           HZ       PHE  68  11.729  16.083 -12.190
  536    H    LYS  69           H        LYS  69   6.859  12.800 -11.743
  537    HA   LYS  69           HA       LYS  69   7.399  10.381 -13.249
  538   1HB   LYS  69          HB2       LYS  69   6.388  13.138 -13.890
  539   2HB   LYS  69          HB3       LYS  69   7.280  12.323 -15.170
  540   1HG   LYS  69          HG2       LYS  69   5.013  11.820 -15.525
  541   2HG   LYS  69          HG3       LYS  69   5.833  10.354 -15.004
  542   1HD   LYS  69          HD2       LYS  69   4.963  10.801 -12.657
  543   2HD   LYS  69          HD3       LYS  69   3.943  12.068 -13.344
  544   1HE   LYS  69          HE2       LYS  69   3.997   9.150 -14.267
  545   2HE   LYS  69          HE3       LYS  69   2.858   9.782 -13.062
  546   1HZ   LYS  69          HZ1       LYS  69   2.970  10.484 -15.929
  547   2HZ   LYS  69          HZ2       LYS  69   1.751   9.784 -15.118
  548   3HZ   LYS  69          HZ3       LYS  69   2.084  11.353 -14.836
  549    H    ILE  70           H        ILE  70   9.407   9.655 -13.483
  550    HA   ILE  70           HA       ILE  70  11.724  11.469 -13.841
  551    HB   ILE  70           HB       ILE  70  11.408   8.480 -14.230
  552   1HG1  ILE  70          HG12      ILE  70  12.858  10.064 -12.060
  553   2HG1  ILE  70          HG13      ILE  70  11.237   9.397 -11.856
  554   1HG2  ILE  70          HG21      ILE  70  13.905   8.486 -14.377
  555   2HG2  ILE  70          HG22      ILE  70  13.203   9.434 -15.682
  556   3HG2  ILE  70          HG23      ILE  70  13.899  10.256 -14.270
  557   1HD1  ILE  70          HD11      ILE  70  12.050   7.130 -12.138
  558   2HD1  ILE  70          HD12      ILE  70  13.712   7.706 -12.403
  559   3HD1  ILE  70          HD13      ILE  70  12.941   7.965 -10.844
  560    H    THR  71           H        THR  71   9.538   9.326 -15.794
  561    HA   THR  71           HA       THR  71   9.714  11.256 -18.006
  562    HB   THR  71           HB       THR  71   9.495   9.261 -19.595
  563    HG1  THR  71           HG1      THR  71  10.652   7.857 -17.447
  564   1HG2  THR  71          HG21      THR  71  12.169   9.477 -18.144
  565   2HG2  THR  71          HG22      THR  71  11.891   8.803 -19.765
  566   3HG2  THR  71          HG23      THR  71  11.613  10.527 -19.463
  567    HA   PRO  72           HA       PRO  72   5.533  11.621 -17.785
  568   1HB   PRO  72          HB2       PRO  72   5.095  10.264 -20.454
  569   2HB   PRO  72          HB3       PRO  72   4.332  11.759 -19.818
  570   1HG   PRO  72          HG2       PRO  72   6.444  11.959 -21.482
  571   2HG   PRO  72          HG3       PRO  72   6.394  12.972 -20.001
  572   1HD   PRO  72          HD2       PRO  72   7.923  10.422 -20.494
  573   2HD   PRO  72          HD3       PRO  72   8.449  11.913 -19.656
  574    H    THR  73           H        THR  73   6.354   8.236 -18.409
  575    HA   THR  73           HA       THR  73   3.796   7.378 -17.186
  576    HB   THR  73           HB       THR  73   4.295   5.267 -18.604
  577    HG1  THR  73           HG1      THR  73   5.709   5.544 -20.291
  578   1HG2  THR  73          HG21      THR  73   3.765   7.870 -20.115
  579   2HG2  THR  73          HG22      THR  73   3.329   6.227 -20.634
  580   3HG2  THR  73          HG23      THR  73   2.553   6.938 -19.211
  581    H    HIS  74           H        HIS  74   6.718   7.961 -16.082
  582    HA   HIS  74           HA       HIS  74   6.856   5.466 -14.461
  583   1HB   HIS  74          HB2       HIS  74   9.215   6.902 -15.712
  584   2HB   HIS  74          HB3       HIS  74   9.276   5.533 -14.599
  585    HD1  HIS  74           HD1      HIS  74   9.040   6.258 -18.247
  586    HD2  HIS  74           HD2      HIS  74   8.104   3.146 -15.566
  587    HE1  HIS  74           HE1      HIS  74   8.677   4.166 -19.668
  588    H    ALA  75           H        ALA  75   5.529   6.820 -13.128
  589    HA   ALA  75           HA       ALA  75   6.682   9.029 -11.613
  590   1HB   ALA  75          HB1       ALA  75   4.799   8.507 -10.058
  591   2HB   ALA  75          HB2       ALA  75   4.233   8.737 -11.712
  592   3HB   ALA  75          HB3       ALA  75   4.373   7.102 -11.042
  593    H    MET  76           H        MET  76   8.624   8.536 -10.545
  594    HA   MET  76           HA       MET  76   9.346   5.926  -9.778
  595   1HB   MET  76          HB2       MET  76  11.162   6.799  -8.642
  596   2HB   MET  76          HB3       MET  76  10.876   7.935  -9.959
  597   1HG   MET  76          HG2       MET  76   9.938   9.551  -8.366
  598   2HG   MET  76          HG3       MET  76  10.037   8.355  -7.069
  599   1HE   MET  76          HE1       MET  76  11.958  11.320  -8.685
  600   2HE   MET  76          HE2       MET  76  13.614  10.691  -8.783
  601   3HE   MET  76          HE3       MET  76  12.338   9.994  -9.805
  602    H    LYS  77           H        LYS  77   9.110   4.698  -7.984
  603    HA   LYS  77           HA       LYS  77   7.353   5.711  -5.774
  604   1HB   LYS  77          HB2       LYS  77   8.176   2.959  -6.722
  605   2HB   LYS  77          HB3       LYS  77   7.381   3.246  -5.163
  606   1HG   LYS  77          HG2       LYS  77   5.403   4.146  -6.356
  607   2HG   LYS  77          HG3       LYS  77   6.217   3.878  -7.908
  608   1HD   LYS  77          HD2       LYS  77   4.748   2.017  -7.618
  609   2HD   LYS  77          HD3       LYS  77   6.387   1.419  -7.328
  610   1HE   LYS  77          HE2       LYS  77   5.907   1.845  -4.810
  611   2HE   LYS  77          HE3       LYS  77   4.225   2.093  -5.292
  612   1HZ   LYS  77          HZ1       LYS  77   5.824  -0.388  -5.495
  613   2HZ   LYS  77          HZ2       LYS  77   4.459  -0.148  -4.646
  614   3HZ   LYS  77          HZ3       LYS  77   4.376  -0.215  -6.272
  615    H    ILE  78           H        ILE  78   8.292   5.640  -3.723
  616    HA   ILE  78           HA       ILE  78  11.165   4.911  -3.512
  617    HB   ILE  78           HB       ILE  78   9.997   7.431  -2.300
  618   1HG1  ILE  78          HG12      ILE  78  11.670   7.353  -4.844
  619   2HG1  ILE  78          HG13      ILE  78   9.956   7.752  -4.747
  620   1HG2  ILE  78          HG21      ILE  78  12.901   6.599  -2.681
  621   2HG2  ILE  78          HG22      ILE  78  12.317   8.018  -1.802
  622   3HG2  ILE  78          HG23      ILE  78  11.995   6.428  -1.165
  623   1HD1  ILE  78          HD11      ILE  78  11.185   9.775  -4.894
  624   2HD1  ILE  78          HD12      ILE  78  10.486   9.663  -3.266
  625   3HD1  ILE  78          HD13      ILE  78  12.217   9.365  -3.526
  626    H    THR  79           H        THR  79  11.638   3.968  -1.630
  627    HA   THR  79           HA       THR  79   9.816   3.952   0.672
  628    HB   THR  79           HB       THR  79  10.453   1.323   0.579
  629    HG1  THR  79           HG1      THR  79  11.370   1.850  -1.684
  630   1HG2  THR  79          HG21      THR  79   8.236   0.857  -0.320
  631   2HG2  THR  79          HG22      THR  79   8.149   2.284   0.720
  632   3HG2  THR  79          HG23      THR  79   8.143   2.477  -1.045
  633    H    PHE  80           H        PHE  80  11.110   2.947   2.576
  634    HA   PHE  80           HA       PHE  80  13.899   3.891   2.425
  635   1HB   PHE  80          HB2       PHE  80  12.267   2.612   4.647
  636   2HB   PHE  80          HB3       PHE  80  13.961   3.054   4.792
  637    HD1  PHE  80           HD1      PHE  80  10.582   4.274   5.045
  638    HD2  PHE  80           HD2      PHE  80  14.639   5.509   4.299
  639    HE1  PHE  80           HE1      PHE  80   9.952   6.625   5.522
  640    HE2  PHE  80           HE2      PHE  80  14.004   7.869   4.745
  641    HZ   PHE  80           HZ       PHE  80  11.648   8.421   5.348
  642    H    ALA  81           H        ALA  81  15.681   2.526   2.338
  643    HA   ALA  81           HA       ALA  81  15.243  -0.257   1.459
  644   1HB   ALA  81          HB1       ALA  81  17.160   1.032   0.534
  645   2HB   ALA  81          HB2       ALA  81  17.799   1.241   2.182
  646   3HB   ALA  81          HB3       ALA  81  17.711  -0.374   1.461
  647    H    LYS  82           H        LYS  82  15.965  -2.048   2.825
  648    HA   LYS  82           HA       LYS  82  15.611  -1.452   5.744
  649   1HB   LYS  82          HB2       LYS  82  14.432  -3.591   3.948
  650   2HB   LYS  82          HB3       LYS  82  14.412  -3.703   5.713
  651   1HG   LYS  82          HG2       LYS  82  12.902  -1.974   5.985
  652   2HG   LYS  82          HG3       LYS  82  13.394  -1.120   4.541
  653   1HD   LYS  82          HD2       LYS  82  11.131  -2.011   4.261
  654   2HD   LYS  82          HD3       LYS  82  12.246  -2.737   3.098
  655   1HE   LYS  82          HE2       LYS  82  12.439  -4.753   4.587
  656   2HE   LYS  82          HE3       LYS  82  11.261  -4.027   5.686
  657   1HZ   LYS  82          HZ1       LYS  82  10.709  -4.764   2.851
  658   2HZ   LYS  82          HZ2       LYS  82  10.232  -5.602   4.169
  659   3HZ   LYS  82          HZ3       LYS  82   9.622  -4.120   3.877
  660    H    LYS  83           H        LYS  83  17.738  -1.441   6.245
  661    HA   LYS  83           HA       LYS  83  19.777  -3.041   5.170
  662   1HB   LYS  83          HB2       LYS  83  19.681  -1.866   7.981
  663   2HB   LYS  83          HB3       LYS  83  21.117  -2.390   7.096
  664   1HG   LYS  83          HG2       LYS  83  20.539  -0.653   5.315
  665   2HG   LYS  83          HG3       LYS  83  19.307  -0.035   6.417
  666   1HD   LYS  83          HD2       LYS  83  22.312  -0.128   6.865
  667   2HD   LYS  83          HD3       LYS  83  21.347   1.307   6.559
  668   1HE   LYS  83          HE2       LYS  83  21.239  -0.445   9.060
  669   2HE   LYS  83          HE3       LYS  83  22.028   1.123   8.911
  670   1HZ   LYS  83          HZ1       LYS  83  19.119   0.621   8.807
  671   2HZ   LYS  83          HZ2       LYS  83  19.943   1.468   9.924
  672   3HZ   LYS  83          HZ3       LYS  83  19.781   2.065   8.407
  Start of MODEL    8
    1   1H    ALA   1          H1        ALA   1   8.477  -7.793  -2.711
    2   2H    ALA   1          H2        ALA   1   7.791  -8.330  -1.329
    3   3H    ALA   1          H3        ALA   1   7.017  -8.543  -2.764
    4    HA   ALA   1           HA       ALA   1   6.742  -6.193  -3.042
    5   1HB   ALA   1          HB1       ALA   1   5.735  -7.157  -0.323
    6   2HB   ALA   1          HB2       ALA   1   5.126  -5.757  -1.230
    7   3HB   ALA   1          HB3       ALA   1   4.918  -7.388  -1.888
    8    H    GLN   2           H        GLN   2   7.562  -4.187  -2.677
    9    HA   GLN   2           HA       GLN   2   9.892  -3.804  -1.114
   10   1HB   GLN   2          HB2       GLN   2   9.602  -1.420  -1.609
   11   2HB   GLN   2          HB3       GLN   2   9.495  -2.466  -3.021
   12   1HG   GLN   2          HG2       GLN   2   6.946  -2.259  -2.854
   13   2HG   GLN   2          HG3       GLN   2   7.215  -0.982  -1.673
   14   1HE2  GLN   2          HE22      GLN   2   9.222   0.629  -2.656
   15   2HE2  GLN   2          HE21      GLN   2   8.907   1.092  -4.319
   16    H    THR   3           H        THR   3  10.220  -3.421   1.003
   17    HA   THR   3           HA       THR   3   7.976  -3.449   2.838
   18    HB   THR   3           HB       THR   3   9.914  -3.380   4.507
   19    HG1  THR   3           HG1      THR   3  11.974  -3.911   3.405
   20   1HG2  THR   3          HG21      THR   3  10.646  -5.664   4.047
   21   2HG2  THR   3          HG22      THR   3   8.920  -5.513   3.701
   22   3HG2  THR   3          HG23      THR   3  10.087  -5.550   2.364
   23    H    GLU   4           H        GLU   4   8.094  -1.841   4.749
   24    HA   GLU   4           HA       GLU   4   9.119   0.817   4.060
   25   1HB   GLU   4          HB2       GLU   4   6.227   0.150   4.688
   26   2HB   GLU   4          HB3       GLU   4   6.910   1.660   5.283
   27   1HG   GLU   4          HG2       GLU   4   7.063   0.906   2.346
   28   2HG   GLU   4          HG3       GLU   4   5.675   1.714   3.047
   29    H    GLN   5           H        GLN   5   9.600   1.979   5.957
   30    HA   GLN   5           HA       GLN   5   9.857   0.453   8.485
   31   1HB   GLN   5          HB2       GLN   5  12.040   1.321   6.535
   32   2HB   GLN   5          HB3       GLN   5  12.352   1.410   8.246
   33   1HG   GLN   5          HG2       GLN   5  13.265  -0.587   7.559
   34   2HG   GLN   5          HG3       GLN   5  11.853  -0.987   8.520
   35   1HE2  GLN   5          HE22      GLN   5  12.242  -0.238   4.898
   36   2HE2  GLN   5          HE21      GLN   5  11.579  -1.772   4.421
   37    HA   PRO   6           HA       PRO   6   9.981   4.783  10.154
   38   1HB   PRO   6          HB2       PRO   6  12.578   3.889  11.399
   39   2HB   PRO   6          HB3       PRO   6  11.230   4.801  12.145
   40   1HG   PRO   6          HG2       PRO   6  11.560   2.160  12.675
   41   2HG   PRO   6          HG3       PRO   6   9.919   2.821  12.378
   42   1HD   PRO   6          HD2       PRO   6  11.728   1.353  10.446
   43   2HD   PRO   6          HD3       PRO   6   9.978   1.121  10.745
   44    HA   PRO   7           HA       PRO   7  12.702   6.856   7.309
   45   1HB   PRO   7          HB2       PRO   7  13.854   8.362   9.665
   46   2HB   PRO   7          HB3       PRO   7  13.361   8.986   8.059
   47   1HG   PRO   7          HG2       PRO   7  11.699   9.259  10.181
   48   2HG   PRO   7          HG3       PRO   7  11.045   8.754   8.589
   49   1HD   PRO   7          HD2       PRO   7  11.674   7.032  10.995
   50   2HD   PRO   7          HD3       PRO   7  10.272   6.962   9.884
   51    H    ASN   8           H        ASN   8  14.621   6.358   6.351
   52    HA   ASN   8           HA       ASN   8  16.832   5.161   7.926
   53   1HB   ASN   8          HB2       ASN   8  15.293   3.295   7.246
   54   2HB   ASN   8          HB3       ASN   8  15.424   3.818   5.568
   55   1HD2  ASN   8          HD22      ASN   8  17.108   2.946   4.360
   56   2HD2  ASN   8          HD21      ASN   8  18.434   2.037   5.072
   57    H    GLN   9           H        GLN   9  18.799   5.859   7.033
   58    HA   GLN   9           HA       GLN   9  18.763   7.854   4.995
   59   1HB   GLN   9          HB2       GLN   9  21.095   8.060   5.315
   60   2HB   GLN   9          HB3       GLN   9  20.327   7.856   6.867
   61   1HG   GLN   9          HG2       GLN   9  21.012   5.457   6.892
   62   2HG   GLN   9          HG3       GLN   9  21.836   5.689   5.341
   63   1HE2  GLN   9          HE21      GLN   9  23.393   7.792   5.404
   64   2HE2  GLN   9          HE22      GLN   9  24.411   7.862   6.820
   65    H    ILE  10           H        ILE  10  18.112   4.863   4.211
   66    HA   ILE  10           HA       ILE  10  19.390   5.081   1.591
   67    HB   ILE  10           HB       ILE  10  19.212   2.396   3.018
   68   1HG1  ILE  10          HG12      ILE  10  21.657   4.164   2.613
   69   2HG1  ILE  10          HG13      ILE  10  20.945   3.667   4.151
   70   1HG2  ILE  10          HG21      ILE  10  20.613   3.166   0.424
   71   2HG2  ILE  10          HG22      ILE  10  20.439   1.532   1.106
   72   3HG2  ILE  10          HG23      ILE  10  19.023   2.377   0.512
   73   1HD1  ILE  10          HD11      ILE  10  22.880   2.340   3.852
   74   2HD1  ILE  10          HD12      ILE  10  21.492   1.270   3.557
   75   3HD1  ILE  10          HD13      ILE  10  22.445   1.908   2.194
   76    H    LEU  11           H        LEU  11  17.919   4.610   0.018
   77    HA   LEU  11           HA       LEU  11  15.103   4.004   0.834
   78   1HB   LEU  11          HB2       LEU  11  16.140   5.816  -1.381
   79   2HB   LEU  11          HB3       LEU  11  14.449   5.497  -1.023
   80    HG   LEU  11           HG       LEU  11  16.362   6.928   0.876
   81   1HD1  LEU  11          HD11      LEU  11  15.204   8.993   0.207
   82   2HD1  LEU  11          HD12      LEU  11  16.045   8.246  -1.158
   83   3HD1  LEU  11          HD13      LEU  11  14.285   8.094  -1.014
   84   1HD2  LEU  11          HD21      LEU  11  14.225   7.624   1.998
   85   2HD2  LEU  11          HD22      LEU  11  13.337   6.524   0.922
   86   3HD2  LEU  11          HD23      LEU  11  14.536   5.886   2.070
   87    H    PHE  12           H        PHE  12  13.966   2.729  -0.684
   88    HA   PHE  12           HA       PHE  12  15.541   1.481  -2.892
   89   1HB   PHE  12          HB2       PHE  12  15.071  -0.234  -1.203
   90   2HB   PHE  12          HB3       PHE  12  13.374   0.242  -1.145
   91    HD1  PHE  12           HD1      PHE  12  11.822  -0.936  -2.509
   92    HD2  PHE  12           HD2      PHE  12  15.968  -0.832  -3.672
   93    HE1  PHE  12           HE1      PHE  12  11.369  -2.575  -4.318
   94    HE2  PHE  12           HE2      PHE  12  15.504  -2.431  -5.498
   95    HZ   PHE  12           HZ       PHE  12  13.198  -3.318  -5.823
   96    H    LEU  13           H        LEU  13  14.492   1.603  -4.860
   97    HA   LEU  13           HA       LEU  13  11.994   3.229  -4.944
   98   1HB   LEU  13          HB2       LEU  13  14.678   3.579  -6.339
   99   2HB   LEU  13          HB3       LEU  13  13.186   4.150  -7.048
  100    HG   LEU  13           HG       LEU  13  12.744   5.549  -5.031
  101   1HD1  LEU  13          HD11      LEU  13  14.878   6.194  -3.737
  102   2HD1  LEU  13          HD12      LEU  13  14.086   4.693  -3.280
  103   3HD1  LEU  13          HD13      LEU  13  15.548   4.637  -4.285
  104   1HD2  LEU  13          HD21      LEU  13  13.685   6.410  -7.157
  105   2HD2  LEU  13          HD22      LEU  13  14.297   7.288  -5.761
  106   3HD2  LEU  13          HD23      LEU  13  15.325   6.078  -6.559
  107    H    THR  14           H        THR  14  10.687   2.881  -6.716
  108    HA   THR  14           HA       THR  14  11.299   0.700  -8.623
  109    HB   THR  14           HB       THR  14   9.020  -0.268  -8.073
  110    HG1  THR  14           HG1      THR  14   8.220   0.225  -6.004
  111   1HG2  THR  14          HG21      THR  14  10.884  -0.347  -5.670
  112   2HG2  THR  14          HG22      THR  14   9.721  -1.583  -6.193
  113   3HG2  THR  14          HG23      THR  14  11.170  -1.268  -7.157
  114    H    ASN  15           H        ASN  15   9.347   0.499 -10.174
  115    HA   ASN  15           HA       ASN  15   8.250   1.321 -11.904
  116   1HB   ASN  15          HB2       ASN  15   6.593   1.822 -10.080
  117   2HB   ASN  15          HB3       ASN  15   7.207   3.480 -10.053
  118   1HD2  ASN  15          HD22      ASN  15   5.778   4.808 -11.135
  119   2HD2  ASN  15          HD21      ASN  15   4.838   4.336 -12.549
  120    H    LEU  16           H        LEU  16  10.941   2.188 -11.591
  121    HA   LEU  16           HA       LEU  16  11.140   4.959 -12.538
  122   1HB   LEU  16          HB2       LEU  16  13.311   2.854 -12.543
  123   2HB   LEU  16          HB3       LEU  16  13.501   4.589 -12.496
  124    HG   LEU  16           HG       LEU  16  12.456   2.852 -10.220
  125   1HD1  LEU  16          HD11      LEU  16  15.081   4.312 -10.578
  126   2HD1  LEU  16          HD12      LEU  16  14.555   3.399  -9.137
  127   3HD1  LEU  16          HD13      LEU  16  14.836   2.569 -10.683
  128   1HD2  LEU  16          HD21      LEU  16  12.321   4.773  -8.865
  129   2HD2  LEU  16          HD22      LEU  16  13.216   5.776 -10.021
  130   3HD2  LEU  16          HD23      LEU  16  11.534   5.270 -10.340
  131    HA   PRO  17           HA       PRO  17  11.115   4.123 -16.973
  132   1HB   PRO  17          HB2       PRO  17  13.947   5.086 -17.092
  133   2HB   PRO  17          HB3       PRO  17  12.552   5.526 -18.112
  134   1HG   PRO  17          HG2       PRO  17  13.499   7.111 -16.080
  135   2HG   PRO  17          HG3       PRO  17  11.764   7.056 -16.513
  136   1HD   PRO  17          HD2       PRO  17  13.119   5.910 -14.148
  137   2HD   PRO  17          HD3       PRO  17  11.422   6.371 -14.365
  138    H    GLU  18           H        GLU  18  11.802   2.403 -18.364
  139    HA   GLU  18           HA       GLU  18  13.409   0.267 -17.239
  140   1HB   GLU  18          HB2       GLU  18  12.278   0.722 -20.038
  141   2HB   GLU  18          HB3       GLU  18  13.070  -0.767 -19.500
  142   1HG   GLU  18          HG2       GLU  18  11.356  -1.028 -17.709
  143   2HG   GLU  18          HG3       GLU  18  10.513   0.397 -18.320
  144    H    GLU  19           H        GLU  19  14.418   3.177 -18.276
  145    HA   GLU  19           HA       GLU  19  16.931   2.214 -19.384
  146   1HB   GLU  19          HB2       GLU  19  15.404   4.703 -20.261
  147   2HB   GLU  19          HB3       GLU  19  16.896   4.075 -20.974
  148   1HG   GLU  19          HG2       GLU  19  15.606   1.992 -21.629
  149   2HG   GLU  19          HG3       GLU  19  14.130   2.801 -21.081
  150    H    THR  20           H        THR  20  15.869   3.285 -16.613
  151    HA   THR  20           HA       THR  20  17.040   5.818 -16.116
  152    HB   THR  20           HB       THR  20  16.710   3.610 -14.060
  153    HG1  THR  20           HG1      THR  20  14.737   3.619 -14.934
  154   1HG2  THR  20          HG21      THR  20  16.031   5.502 -12.613
  155   2HG2  THR  20          HG22      THR  20  17.664   5.787 -13.241
  156   3HG2  THR  20          HG23      THR  20  16.269   6.640 -13.951
  157    H    ASN  21           H        ASN  21  19.037   6.363 -15.107
  158    HA   ASN  21           HA       ASN  21  21.147   4.297 -15.087
  159   1HB   ASN  21          HB2       ASN  21  21.243   5.424 -17.307
  160   2HB   ASN  21          HB3       ASN  21  21.295   6.997 -16.508
  161   1HD2  ASN  21          HD22      ASN  21  23.384   7.615 -17.294
  162   2HD2  ASN  21          HD21      ASN  21  24.832   6.773 -16.821
  163    H    GLU  22           H        GLU  22  23.035   5.083 -13.847
  164    HA   GLU  22           HA       GLU  22  22.453   6.035 -11.291
  165   1HB   GLU  22          HB2       GLU  22  24.457   4.748 -12.066
  166   2HB   GLU  22          HB3       GLU  22  25.062   6.202 -12.861
  167   1HG   GLU  22          HG2       GLU  22  25.110   7.328 -10.586
  168   2HG   GLU  22          HG3       GLU  22  24.658   5.774  -9.875
  169    H    MET  23           H        MET  23  23.588   7.848 -14.127
  170    HA   MET  23           HA       MET  23  24.042  10.322 -12.817
  171   1HB   MET  23          HB2       MET  23  23.305   9.740 -15.718
  172   2HB   MET  23          HB3       MET  23  23.889  11.298 -15.119
  173   1HG   MET  23          HG2       MET  23  25.998  10.271 -14.390
  174   2HG   MET  23          HG3       MET  23  25.447   8.689 -14.949
  175   1HE   MET  23          HE1       MET  23  28.314   9.553 -17.469
  176   2HE   MET  23          HE2       MET  23  28.244   9.970 -15.743
  177   3HE   MET  23          HE3       MET  23  27.689   8.373 -16.296
  178    H    MET  24           H        MET  24  21.043   8.926 -14.112
  179    HA   MET  24           HA       MET  24  19.577  11.413 -14.236
  180   1HB   MET  24          HB2       MET  24  18.621   8.507 -14.080
  181   2HB   MET  24          HB3       MET  24  17.551   9.900 -14.255
  182   1HG   MET  24          HG2       MET  24  18.503  10.507 -16.348
  183   2HG   MET  24          HG3       MET  24  19.846   9.377 -16.152
  184   1HE   MET  24          HE1       MET  24  15.944   8.652 -15.551
  185   2HE   MET  24          HE2       MET  24  16.018   9.771 -16.934
  186   3HE   MET  24          HE3       MET  24  15.510   8.086 -17.176
  187    H    LEU  25           H        LEU  25  19.618   8.720 -11.876
  188    HA   LEU  25           HA       LEU  25  17.824  10.179 -10.123
  189   1HB   LEU  25          HB2       LEU  25  19.622   7.808  -9.469
  190   2HB   LEU  25          HB3       LEU  25  18.354   8.476  -8.438
  191    HG   LEU  25           HG       LEU  25  18.120   6.865 -10.972
  192   1HD1  LEU  25          HD11      LEU  25  16.620   5.542  -9.529
  193   2HD1  LEU  25          HD12      LEU  25  18.195   5.771  -8.756
  194   3HD1  LEU  25          HD13      LEU  25  16.805   6.735  -8.223
  195   1HD2  LEU  25          HD21      LEU  25  15.618   7.335 -10.899
  196   2HD2  LEU  25          HD22      LEU  25  15.983   8.713  -9.827
  197   3HD2  LEU  25          HD23      LEU  25  16.611   8.668 -11.497
  198    H    SER  26           H        SER  26  21.393   9.903 -10.383
  199    HA   SER  26           HA       SER  26  21.943  11.148  -7.868
  200   1HB   SER  26          HB2       SER  26  23.576  11.223 -10.443
  201   2HB   SER  26          HB3       SER  26  24.153  11.639  -8.817
  202    HG   SER  26           HG       SER  26  23.334   9.139  -9.852
  203    H    MET  27           H        MET  27  21.447  12.489 -11.186
  204    HA   MET  27           HA       MET  27  21.757  15.206 -10.488
  205   1HB   MET  27          HB2       MET  27  21.731  14.402 -12.790
  206   2HB   MET  27          HB3       MET  27  20.047  13.877 -12.636
  207   1HG   MET  27          HG2       MET  27  19.327  16.182 -12.291
  208   2HG   MET  27          HG3       MET  27  21.007  16.738 -12.364
  209   1HE   MET  27          HE1       MET  27  18.498  17.879 -14.041
  210   2HE   MET  27          HE2       MET  27  20.137  18.566 -14.114
  211   3HE   MET  27          HE3       MET  27  19.275  18.163 -15.615
  212    H    LEU  28           H        LEU  28  18.804  13.100 -10.395
  213    HA   LEU  28           HA       LEU  28  17.083  15.253  -9.634
  214   1HB   LEU  28          HB2       LEU  28  16.807  12.243  -9.298
  215   2HB   LEU  28          HB3       LEU  28  15.540  13.383  -8.858
  216    HG   LEU  28           HG       LEU  28  16.681  13.096 -11.664
  217   1HD1  LEU  28          HD11      LEU  28  14.568  11.986 -12.211
  218   2HD1  LEU  28          HD12      LEU  28  15.410  11.098 -10.934
  219   3HD1  LEU  28          HD13      LEU  28  14.024  12.139 -10.524
  220   1HD2  LEU  28          HD21      LEU  28  14.322  14.717 -10.622
  221   2HD2  LEU  28          HD22      LEU  28  15.811  15.352 -11.360
  222   3HD2  LEU  28          HD23      LEU  28  14.685  14.427 -12.339
  223    H    PHE  29           H        PHE  29  18.591  12.707  -7.581
  224    HA   PHE  29           HA       PHE  29  17.391  13.952  -5.238
  225   1HB   PHE  29          HB2       PHE  29  19.272  11.604  -5.640
  226   2HB   PHE  29          HB3       PHE  29  18.855  12.231  -4.048
  227    HD1  PHE  29           HD1      PHE  29  17.340  10.626  -7.070
  228    HD2  PHE  29           HD2      PHE  29  16.833  11.821  -2.965
  229    HE1  PHE  29           HE1      PHE  29  15.242   9.322  -6.945
  230    HE2  PHE  29           HE2      PHE  29  14.719  10.524  -2.843
  231    HZ   PHE  29           HZ       PHE  29  13.915   9.293  -4.843
  232    H    ASN  30           H        ASN  30  20.630  14.280  -6.754
  233    HA   ASN  30           HA       ASN  30  21.939  15.219  -4.438
  234   1HB   ASN  30          HB2       ASN  30  23.140  14.503  -6.392
  235   2HB   ASN  30          HB3       ASN  30  22.513  15.876  -7.328
  236   1HD2  ASN  30          HD22      ASN  30  24.089  17.464  -7.555
  237   2HD2  ASN  30          HD21      ASN  30  25.276  17.861  -6.343
  238    H    GLN  31           H        GLN  31  19.410  16.756  -6.173
  239    HA   GLN  31           HA       GLN  31  19.958  19.498  -5.759
  240   1HB   GLN  31          HB2       GLN  31  17.331  17.951  -5.699
  241   2HB   GLN  31          HB3       GLN  31  17.457  19.713  -5.723
  242   1HG   GLN  31          HG2       GLN  31  18.643  19.626  -7.897
  243   2HG   GLN  31          HG3       GLN  31  18.507  17.866  -7.908
  244   1HE2  GLN  31          HE22      GLN  31  16.237  16.952  -7.781
  245   2HE2  GLN  31          HE21      GLN  31  14.953  17.833  -8.599
  246    H    PHE  32           H        PHE  32  19.062  16.924  -3.455
  247    HA   PHE  32           HA       PHE  32  18.351  18.884  -1.382
  248   1HB   PHE  32          HB2       PHE  32  18.568  15.869  -1.158
  249   2HB   PHE  32          HB3       PHE  32  17.755  16.960  -0.044
  250    HD1  PHE  32           HD1      PHE  32  15.884  18.557  -1.322
  251    HD2  PHE  32           HD2      PHE  32  17.224  14.689  -2.674
  252    HE1  PHE  32           HE1      PHE  32  13.906  18.373  -2.811
  253    HE2  PHE  32           HE2      PHE  32  15.251  14.500  -4.127
  254    HZ   PHE  32           HZ       PHE  32  13.621  16.360  -4.258
  255    HA   PRO  33           HA       PRO  33  22.589  19.007  -0.084
  256   1HB   PRO  33          HB2       PRO  33  22.419  20.379   2.273
  257   2HB   PRO  33          HB3       PRO  33  21.948  21.088   0.708
  258   1HG   PRO  33          HG2       PRO  33  20.128  19.767   2.749
  259   2HG   PRO  33          HG3       PRO  33  19.950  21.385   1.997
  260   1HD   PRO  33          HD2       PRO  33  18.666  19.190   1.012
  261   2HD   PRO  33          HD3       PRO  33  19.310  20.463  -0.069
  262    H    GLY  34           H        GLY  34  21.351  16.436   0.395
  263   1HA   GLY  34          HA2       GLY  34  22.982  15.474   2.675
  264   2HA   GLY  34          HA3       GLY  34  21.246  15.108   2.652
  265    H    PHE  35           H        PHE  35  21.955  15.052  -0.605
  266    HA   PHE  35           HA       PHE  35  21.799  12.281  -0.886
  267   1HB   PHE  35          HB2       PHE  35  21.220  13.874  -2.604
  268   2HB   PHE  35          HB3       PHE  35  22.839  14.572  -2.581
  269    HD1  PHE  35           HD1      PHE  35  24.678  13.588  -3.810
  270    HD2  PHE  35           HD2      PHE  35  20.837  11.638  -3.657
  271    HE1  PHE  35           HE1      PHE  35  25.355  12.088  -5.672
  272    HE2  PHE  35           HE2      PHE  35  21.503  10.177  -5.521
  273    HZ   PHE  35           HZ       PHE  35  23.761  10.388  -6.527
  274    H    LYS  36           H        LYS  36  23.299  10.762  -1.430
  275    HA   LYS  36           HA       LYS  36  26.204  11.413  -1.192
  276   1HB   LYS  36          HB2       LYS  36  24.832   8.971   0.000
  277   2HB   LYS  36          HB3       LYS  36  26.555   9.199  -0.092
  278   1HG   LYS  36          HG2       LYS  36  24.643  11.025   1.428
  279   2HG   LYS  36          HG3       LYS  36  25.516   9.680   2.152
  280   1HD   LYS  36          HD2       LYS  36  26.773  12.177   0.938
  281   2HD   LYS  36          HD3       LYS  36  26.571  11.815   2.661
  282   1HE   LYS  36          HE2       LYS  36  27.950   9.789   2.418
  283   2HE   LYS  36          HE3       LYS  36  28.201  10.154   0.705
  284   1HZ   LYS  36          HZ1       LYS  36  29.334  12.200   1.376
  285   2HZ   LYS  36          HZ2       LYS  36  29.104  11.860   2.959
  286   3HZ   LYS  36          HZ3       LYS  36  30.064  10.911   2.050
  287    H    GLU  37           H        GLU  37  23.864   8.782  -2.219
  288    HA   GLU  37           HA       GLU  37  25.276   8.612  -4.787
  289   1HB   GLU  37          HB2       GLU  37  26.608   7.369  -2.793
  290   2HB   GLU  37          HB3       GLU  37  25.436   6.097  -3.107
  291   1HG   GLU  37          HG2       GLU  37  26.192   6.007  -5.477
  292   2HG   GLU  37          HG3       GLU  37  27.251   7.386  -5.201
  293    H    VAL  38           H        VAL  38  24.489   6.500  -6.005
  294    HA   VAL  38           HA       VAL  38  21.903   5.499  -5.101
  295    HB   VAL  38           HB       VAL  38  20.727   5.780  -7.118
  296   1HG1  VAL  38          HG11      VAL  38  20.470   8.145  -7.389
  297   2HG1  VAL  38          HG12      VAL  38  20.866   7.844  -5.699
  298   3HG1  VAL  38          HG13      VAL  38  22.114   8.456  -6.816
  299   1HG2  VAL  38          HG21      VAL  38  21.602   6.848  -9.162
  300   2HG2  VAL  38          HG22      VAL  38  23.220   6.907  -8.435
  301   3HG2  VAL  38          HG23      VAL  38  22.434   5.344  -8.797
  302    H    ARG  39           H        ARG  39  21.312   3.506  -6.356
  303    HA   ARG  39           HA       ARG  39  23.533   2.159  -7.780
  304   1HB   ARG  39          HB2       ARG  39  23.818   1.481  -5.437
  305   2HB   ARG  39          HB3       ARG  39  22.114   1.053  -5.319
  306   1HG   ARG  39          HG2       ARG  39  22.464  -0.756  -7.023
  307   2HG   ARG  39          HG3       ARG  39  24.172  -0.302  -7.112
  308   1HD   ARG  39          HD2       ARG  39  23.982  -2.212  -5.664
  309   2HD   ARG  39          HD3       ARG  39  24.392  -0.806  -4.669
  310    HE   ARG  39           HE       ARG  39  21.525  -1.352  -4.878
  311   1HH1  ARG  39          HH11      ARG  39  24.465  -2.181  -3.076
  312   2HH1  ARG  39          HH12      ARG  39  23.630  -2.700  -1.660
  313   1HH2  ARG  39          HH21      ARG  39  20.391  -2.037  -2.969
  314   2HH2  ARG  39          HH22      ARG  39  21.275  -2.619  -1.610
  315    H    LEU  40           H        LEU  40  22.469   1.948  -9.719
  316    HA   LEU  40           HA       LEU  40  19.607   1.281  -9.887
  317   1HB   LEU  40          HB2       LEU  40  21.879   1.687 -11.882
  318   2HB   LEU  40          HB3       LEU  40  20.440   0.828 -12.382
  319    HG   LEU  40           HG       LEU  40  20.465   3.208 -13.016
  320   1HD1  LEU  40          HD11      LEU  40  18.370   2.094 -13.036
  321   2HD1  LEU  40          HD12      LEU  40  18.188   2.194 -11.281
  322   3HD1  LEU  40          HD13      LEU  40  18.096   3.661 -12.256
  323   1HD2  LEU  40          HD21      LEU  40  19.930   3.849 -10.088
  324   2HD2  LEU  40          HD22      LEU  40  21.482   4.112 -10.913
  325   3HD2  LEU  40          HD23      LEU  40  20.036   4.983 -11.450
  326    H    VAL  41           H        VAL  41  19.049  -0.719 -11.073
  327    HA   VAL  41           HA       VAL  41  20.905  -2.989 -10.507
  328    HB   VAL  41           HB       VAL  41  17.886  -2.996 -10.797
  329   1HG1  VAL  41          HG11      VAL  41  18.857  -5.076 -11.688
  330   2HG1  VAL  41          HG12      VAL  41  19.844  -5.268 -10.220
  331   3HG1  VAL  41          HG13      VAL  41  18.072  -5.384 -10.142
  332   1HG2  VAL  41          HG21      VAL  41  17.973  -3.733  -8.397
  333   2HG2  VAL  41          HG22      VAL  41  19.714  -3.400  -8.385
  334   3HG2  VAL  41          HG23      VAL  41  18.548  -2.081  -8.627
  335    HA   PRO  42           HA       PRO  42  21.116  -1.965 -14.885
  336   1HB   PRO  42          HB2       PRO  42  23.555  -3.108 -15.557
  337   2HB   PRO  42          HB3       PRO  42  23.373  -1.613 -14.600
  338   1HG   PRO  42          HG2       PRO  42  23.697  -4.447 -13.558
  339   2HG   PRO  42          HG3       PRO  42  24.649  -2.991 -13.111
  340   1HD   PRO  42          HD2       PRO  42  22.566  -3.796 -11.590
  341   2HD   PRO  42          HD3       PRO  42  22.807  -2.050 -11.927
  342    H    ASN  43           H        ASN  43  19.709  -4.301 -13.980
  343    HA   ASN  43           HA       ASN  43  19.311  -5.526 -16.568
  344   1HB   ASN  43          HB2       ASN  43  19.065  -7.788 -15.793
  345   2HB   ASN  43          HB3       ASN  43  20.652  -7.218 -15.305
  346   1HD2  ASN  43          HD22      ASN  43  21.124  -7.091 -13.040
  347   2HD2  ASN  43          HD21      ASN  43  19.992  -7.607 -11.818
  348    H    ARG  44           H        ARG  44  18.013  -3.974 -13.823
  349    HA   ARG  44           HA       ARG  44  15.345  -4.080 -14.926
  350   1HB   ARG  44          HB2       ARG  44  16.083  -5.107 -12.152
  351   2HB   ARG  44          HB3       ARG  44  14.625  -4.159 -12.384
  352   1HG   ARG  44          HG2       ARG  44  13.976  -5.820 -14.252
  353   2HG   ARG  44          HG3       ARG  44  15.259  -6.855 -13.590
  354   1HD   ARG  44          HD2       ARG  44  13.156  -7.469 -12.557
  355   2HD   ARG  44          HD3       ARG  44  14.160  -6.657 -11.333
  356    HE   ARG  44           HE       ARG  44  12.628  -4.638 -12.508
  357   1HH1  ARG  44          HH21      ARG  44  11.992  -7.583 -10.603
  358   2HH1  ARG  44          HH22      ARG  44  10.545  -6.979  -9.887
  359   1HH2  ARG  44          HH11      ARG  44  10.688  -3.850 -11.604
  360   2HH2  ARG  44          HH12      ARG  44   9.784  -4.806 -10.467
  361    H    HIS  45           H        HIS  45  16.627  -2.026 -15.568
  362    HA   HIS  45           HA       HIS  45  17.441  -0.141 -13.675
  363   1HB   HIS  45          HB2       HIS  45  16.016   0.533 -16.277
  364   2HB   HIS  45          HB3       HIS  45  17.199   1.511 -15.424
  365    HD1  HIS  45           HD1      HIS  45  17.076  -0.399 -18.418
  366    HD2  HIS  45           HD2      HIS  45  19.726  -0.140 -15.153
  367    HE1  HIS  45           HE1      HIS  45  19.313  -1.345 -19.224
  368    H    ASP  46           H        ASP  46  14.251  -1.348 -14.032
  369    HA   ASP  46           HA       ASP  46  12.767   1.096 -13.626
  370   1HB   ASP  46          HB2       ASP  46  10.841  -0.198 -13.707
  371   2HB   ASP  46          HB3       ASP  46  11.913  -0.944 -14.887
  372    H    ILE  47           H        ILE  47  14.722  -0.834 -11.605
  373    HA   ILE  47           HA       ILE  47  13.478   0.432  -9.249
  374    HB   ILE  47           HB       ILE  47  13.846  -1.468  -7.893
  375   1HG1  ILE  47          HG12      ILE  47  15.674  -2.336 -10.076
  376   2HG1  ILE  47          HG13      ILE  47  15.868  -2.384  -8.334
  377   1HG2  ILE  47          HG21      ILE  47  11.812  -1.526  -9.382
  378   2HG2  ILE  47          HG22      ILE  47  12.686  -2.636 -10.446
  379   3HG2  ILE  47          HG23      ILE  47  12.329  -3.101  -8.770
  380   1HD1  ILE  47          HD11      ILE  47  14.301  -4.279 -10.093
  381   2HD1  ILE  47          HD12      ILE  47  15.832  -4.605  -9.271
  382   3HD1  ILE  47          HD13      ILE  47  14.355  -4.374  -8.297
  383    H    ALA  48           H        ALA  48  15.083   0.717  -7.470
  384    HA   ALA  48           HA       ALA  48  17.934   0.746  -8.071
  385   1HB   ALA  48          HB1       ALA  48  16.524   3.446  -7.878
  386   2HB   ALA  48          HB2       ALA  48  18.254   3.152  -8.125
  387   3HB   ALA  48          HB3       ALA  48  17.106   2.751  -9.404
  388    H    PHE  49           H        PHE  49  19.060   2.088  -6.335
  389    HA   PHE  49           HA       PHE  49  17.510   2.377  -3.842
  390   1HB   PHE  49          HB2       PHE  49  20.338   1.270  -4.054
  391   2HB   PHE  49          HB3       PHE  49  19.544   1.720  -2.565
  392    HD1  PHE  49           HD1      PHE  49  18.260   0.149  -1.344
  393    HD2  PHE  49           HD2      PHE  49  19.282  -0.661  -5.466
  394    HE1  PHE  49           HE1      PHE  49  17.518  -2.205  -1.077
  395    HE2  PHE  49           HE2      PHE  49  18.498  -3.002  -5.198
  396    HZ   PHE  49           HZ       PHE  49  17.639  -3.783  -2.997
  397    H    VAL  50           H        VAL  50  18.330   4.158  -2.564
  398    HA   VAL  50           HA       VAL  50  20.316   5.969  -3.835
  399    HB   VAL  50           HB       VAL  50  17.521   6.693  -2.865
  400   1HG1  VAL  50          HG11      VAL  50  19.737   8.510  -3.884
  401   2HG1  VAL  50          HG12      VAL  50  18.048   8.986  -3.606
  402   3HG1  VAL  50          HG13      VAL  50  19.050   8.471  -2.250
  403   1HG2  VAL  50          HG21      VAL  50  18.713   6.787  -5.655
  404   2HG2  VAL  50          HG22      VAL  50  17.430   5.708  -5.079
  405   3HG2  VAL  50          HG23      VAL  50  17.129   7.444  -5.183
  406    H    GLU  51           H        GLU  51  21.521   7.139  -2.261
  407    HA   GLU  51           HA       GLU  51  21.223   6.223   0.560
  408   1HB   GLU  51          HB2       GLU  51  22.859   4.830  -0.610
  409   2HB   GLU  51          HB3       GLU  51  23.700   6.263  -1.221
  410   1HG   GLU  51          HG2       GLU  51  24.306   6.925   1.069
  411   2HG   GLU  51          HG3       GLU  51  23.397   5.567   1.731
  412    H    PHE  52           H        PHE  52  21.697   7.714   2.065
  413    HA   PHE  52           HA       PHE  52  22.356  10.493   1.251
  414   1HB   PHE  52          HB2       PHE  52  19.896   9.299   2.445
  415   2HB   PHE  52          HB3       PHE  52  20.455  10.754   3.226
  416    HD1  PHE  52           HD1      PHE  52  19.789  12.827   2.419
  417    HD2  PHE  52           HD2      PHE  52  19.754   9.445  -0.242
  418    HE1  PHE  52           HE1      PHE  52  18.841  14.253   0.625
  419    HE2  PHE  52           HE2      PHE  52  18.865  10.879  -2.051
  420    HZ   PHE  52           HZ       PHE  52  18.444  13.289  -1.633
  421    H    THR  53           H        THR  53  22.849  11.843   3.012
  422    HA   THR  53           HA       THR  53  24.844  10.977   4.815
  423    HB   THR  53           HB       THR  53  23.092  13.483   4.705
  424    HG1  THR  53           HG1      THR  53  24.250  13.253   2.847
  425   1HG2  THR  53          HG21      THR  53  25.687  13.015   6.213
  426   2HG2  THR  53          HG22      THR  53  24.967  14.617   5.899
  427   3HG2  THR  53          HG23      THR  53  24.092  13.435   6.882
  428    H    THR  54           H        THR  54  21.427  11.972   5.375
  429    HA   THR  54           HA       THR  54  21.468  10.645   8.016
  430    HB   THR  54           HB       THR  54  20.049  12.924   8.505
  431    HG1  THR  54           HG1      THR  54  21.242  14.652   7.690
  432   1HG2  THR  54          HG21      THR  54  21.834  12.055   9.914
  433   2HG2  THR  54          HG22      THR  54  23.062  12.598   8.753
  434   3HG2  THR  54          HG23      THR  54  22.070  13.787   9.632
  435    H    GLU  55           H        GLU  55  19.496  10.171   8.861
  436    HA   GLU  55           HA       GLU  55  17.824   8.957   6.867
  437   1HB   GLU  55          HB2       GLU  55  17.005   9.037   9.767
  438   2HB   GLU  55          HB3       GLU  55  16.842   7.750   8.586
  439   1HG   GLU  55          HG2       GLU  55  19.636   8.012   8.898
  440   2HG   GLU  55          HG3       GLU  55  19.009   8.341  10.495
  441    H    LEU  56           H        LEU  56  17.599  11.895   8.717
  442    HA   LEU  56           HA       LEU  56  14.783  12.407   8.187
  443   1HB   LEU  56          HB2       LEU  56  17.033  14.328   8.907
  444   2HB   LEU  56          HB3       LEU  56  15.303  14.678   8.944
  445    HG   LEU  56           HG       LEU  56  16.837  12.761  10.750
  446   1HD1  LEU  56          HD11      LEU  56  15.304  15.320  11.362
  447   2HD1  LEU  56          HD12      LEU  56  16.168  14.298  12.535
  448   3HD1  LEU  56          HD13      LEU  56  17.072  15.154  11.278
  449   1HD2  LEU  56          HD21      LEU  56  13.831  13.259  10.653
  450   2HD2  LEU  56          HD22      LEU  56  14.679  11.718  10.361
  451   3HD2  LEU  56          HD23      LEU  56  14.689  12.428  11.973
  452    H    GLN  57           H        GLN  57  17.866  12.955   6.454
  453    HA   GLN  57           HA       GLN  57  16.574  14.846   4.619
  454   1HB   GLN  57          HB2       GLN  57  19.373  13.651   4.615
  455   2HB   GLN  57          HB3       GLN  57  18.738  14.821   3.440
  456   1HG   GLN  57          HG2       GLN  57  18.131  16.287   5.503
  457   2HG   GLN  57          HG3       GLN  57  19.217  15.231   6.407
  458   1HE2  GLN  57          HE21      GLN  57  21.533  15.154   5.665
  459   2HE2  GLN  57          HE22      GLN  57  22.182  16.520   4.754
  460    H    SER  58           H        SER  58  17.541  11.330   4.557
  461    HA   SER  58           HA       SER  58  16.652  10.938   1.861
  462   1HB   SER  58          HB2       SER  58  16.242   8.581   2.615
  463   2HB   SER  58          HB3       SER  58  17.869   9.173   2.951
  464    HG   SER  58           HG       SER  58  16.533   8.042   4.671
  465    H    ASN  59           H        ASN  59  14.900  10.870   5.020
  466    HA   ASN  59           HA       ASN  59  12.324  10.379   4.014
  467   1HB   ASN  59          HB2       ASN  59  12.636  10.343   6.373
  468   2HB   ASN  59          HB3       ASN  59  13.283  11.968   6.404
  469   1HD2  ASN  59          HD22      ASN  59  11.884  13.639   6.878
  470   2HD2  ASN  59          HD21      ASN  59  10.145  13.504   6.834
  471    H    ALA  60           H        ALA  60  13.900  13.590   4.402
  472    HA   ALA  60           HA       ALA  60  11.728  15.064   3.322
  473   1HB   ALA  60          HB1       ALA  60  13.358  16.856   2.943
  474   2HB   ALA  60          HB2       ALA  60  13.627  16.099   4.526
  475   3HB   ALA  60          HB3       ALA  60  14.702  15.717   3.158
  476    H    ALA  61           H        ALA  61  14.506  13.576   1.644
  477    HA   ALA  61           HA       ALA  61  13.791  14.514  -0.961
  478   1HB   ALA  61          HB1       ALA  61  15.339  12.850  -1.770
  479   2HB   ALA  61          HB2       ALA  61  16.042  13.664  -0.358
  480   3HB   ALA  61          HB3       ALA  61  15.373  12.020  -0.199
  481    H    LYS  62           H        LYS  62  12.910  11.539   0.841
  482    HA   LYS  62           HA       LYS  62  11.450  10.250  -1.222
  483   1HB   LYS  62          HB2       LYS  62  12.125   9.118   0.838
  484   2HB   LYS  62          HB3       LYS  62  11.135  10.204   1.813
  485   1HG   LYS  62          HG2       LYS  62   9.079   9.323   0.718
  486   2HG   LYS  62          HG3       LYS  62  10.085   8.199  -0.209
  487   1HD   LYS  62          HD2       LYS  62  10.896   7.192   1.933
  488   2HD   LYS  62          HD3       LYS  62   9.864   8.333   2.825
  489   1HE   LYS  62          HE2       LYS  62   7.870   7.412   1.575
  490   2HE   LYS  62          HE3       LYS  62   8.927   6.189   0.858
  491   1HZ   LYS  62          HZ1       LYS  62   7.824   5.293   2.783
  492   2HZ   LYS  62          HZ2       LYS  62   9.396   5.413   3.143
  493   3HZ   LYS  62          HZ3       LYS  62   8.335   6.517   3.743
  494    H    GLU  63           H        GLU  63  10.317  12.516   1.372
  495    HA   GLU  63           HA       GLU  63   7.635  12.648   0.498
  496   1HB   GLU  63          HB2       GLU  63   9.404  14.694   1.904
  497   2HB   GLU  63          HB3       GLU  63   7.676  14.923   1.671
  498   1HG   GLU  63          HG2       GLU  63   8.850  12.535   3.159
  499   2HG   GLU  63          HG3       GLU  63   8.403  14.046   3.934
  500    H    ALA  64           H        ALA  64  10.490  14.466  -0.570
  501    HA   ALA  64           HA       ALA  64   9.099  16.345  -2.190
  502   1HB   ALA  64          HB1       ALA  64  11.972  15.361  -2.360
  503   2HB   ALA  64          HB2       ALA  64  11.336  16.871  -3.042
  504   3HB   ALA  64          HB3       ALA  64  11.387  16.649  -1.278
  505    H    LEU  65           H        LEU  65  10.573  13.149  -3.029
  506    HA   LEU  65           HA       LEU  65   9.744  13.614  -5.863
  507   1HB   LEU  65          HB2       LEU  65  12.018  11.963  -4.720
  508   2HB   LEU  65          HB3       LEU  65  11.556  11.993  -6.418
  509    HG   LEU  65           HG       LEU  65  12.636  14.338  -4.828
  510   1HD1  LEU  65          HD11      LEU  65  14.313  12.642  -5.435
  511   2HD1  LEU  65          HD12      LEU  65  13.794  12.697  -7.127
  512   3HD1  LEU  65          HD13      LEU  65  14.562  14.116  -6.384
  513   1HD2  LEU  65          HD21      LEU  65  12.723  15.533  -7.019
  514   2HD2  LEU  65          HD22      LEU  65  11.799  14.211  -7.760
  515   3HD2  LEU  65          HD23      LEU  65  11.070  15.229  -6.497
  516    H    GLN  66           H        GLN  66   8.624  11.736  -3.274
  517    HA   GLN  66           HA       GLN  66   7.968   9.366  -4.741
  518   1HB   GLN  66          HB2       GLN  66   6.664  10.819  -2.426
  519   2HB   GLN  66          HB3       GLN  66   5.743   9.587  -3.292
  520   1HG   GLN  66          HG2       GLN  66   7.598   7.954  -2.943
  521   2HG   GLN  66          HG3       GLN  66   8.406   9.125  -1.904
  522   1HE2  GLN  66          HE22      GLN  66   7.192   6.369  -1.283
  523   2HE2  GLN  66          HE21      GLN  66   5.986   6.678  -0.062
  524    H    GLY  67           H        GLY  67   6.716   9.028  -6.439
  525   1HA   GLY  67          HA2       GLY  67   4.985   9.215  -7.928
  526   2HA   GLY  67          HA3       GLY  67   4.408  10.682  -7.130
  527    H    PHE  68           H        PHE  68   7.775  10.988  -7.820
  528    HA   PHE  68           HA       PHE  68   7.219  13.128  -9.673
  529   1HB   PHE  68          HB2       PHE  68   9.061  13.217  -8.054
  530   2HB   PHE  68          HB3       PHE  68   9.817  11.804  -8.786
  531    HD1  PHE  68           HD1      PHE  68  11.132  11.981 -10.815
  532    HD2  PHE  68           HD2      PHE  68   9.024  15.409  -9.255
  533    HE1  PHE  68           HE1      PHE  68  12.404  13.464 -12.343
  534    HE2  PHE  68           HE2      PHE  68  10.309  16.888 -10.781
  535    HZ   PHE  68           HZ       PHE  68  12.002  15.918 -12.325
  536    H    LYS  69           H        LYS  69   6.931  12.926 -11.840
  537    HA   LYS  69           HA       LYS  69   7.453  10.468 -13.303
  538   1HB   LYS  69          HB2       LYS  69   6.489  13.221 -14.017
  539   2HB   LYS  69          HB3       LYS  69   7.415  12.379 -15.258
  540   1HG   LYS  69          HG2       LYS  69   5.156  11.879 -15.673
  541   2HG   LYS  69          HG3       LYS  69   5.951  10.420 -15.101
  542   1HD   LYS  69          HD2       LYS  69   5.006  10.907 -12.785
  543   2HD   LYS  69          HD3       LYS  69   4.023  12.174 -13.523
  544   1HE   LYS  69          HE2       LYS  69   4.077   9.245 -14.404
  545   2HE   LYS  69          HE3       LYS  69   2.912   9.902 -13.238
  546   1HZ   LYS  69          HZ1       LYS  69   2.194  11.453 -15.048
  547   2HZ   LYS  69          HZ2       LYS  69   3.108  10.575 -16.109
  548   3HZ   LYS  69          HZ3       LYS  69   1.864   9.884 -15.329
  549    H    ILE  70           H        ILE  70   9.456   9.716 -13.452
  550    HA   ILE  70           HA       ILE  70  11.821  11.465 -13.746
  551    HB   ILE  70           HB       ILE  70  11.446   8.495 -14.178
  552   1HG1  ILE  70          HG12      ILE  70  12.808   9.949 -11.867
  553   2HG1  ILE  70          HG13      ILE  70  11.136   9.400 -11.804
  554   1HG2  ILE  70          HG21      ILE  70  13.948   8.444 -14.146
  555   2HG2  ILE  70          HG22      ILE  70  13.352   9.439 -15.478
  556   3HG2  ILE  70          HG23      ILE  70  13.970  10.214 -14.008
  557   1HD1  ILE  70          HD11      ILE  70  11.825   7.077 -12.159
  558   2HD1  ILE  70          HD12      ILE  70  13.538   7.571 -12.171
  559   3HD1  ILE  70          HD13      ILE  70  12.557   7.786 -10.720
  560    H    THR  71           H        THR  71   9.658   9.368 -15.792
  561    HA   THR  71           HA       THR  71   9.927  11.312 -17.966
  562    HB   THR  71           HB       THR  71   9.835   9.418 -19.606
  563    HG1  THR  71           HG1      THR  71  10.655   7.405 -18.836
  564   1HG2  THR  71          HG21      THR  71  12.357   9.326 -17.892
  565   2HG2  THR  71          HG22      THR  71  12.212   8.897 -19.609
  566   3HG2  THR  71          HG23      THR  71  11.999  10.579 -19.102
  567    HA   PRO  72           HA       PRO  72   5.745  11.698 -17.902
  568   1HB   PRO  72          HB2       PRO  72   5.387  10.318 -20.571
  569   2HB   PRO  72          HB3       PRO  72   4.606  11.819 -19.970
  570   1HG   PRO  72          HG2       PRO  72   6.774  12.007 -21.564
  571   2HG   PRO  72          HG3       PRO  72   6.678  13.028 -20.089
  572   1HD   PRO  72          HD2       PRO  72   8.211  10.469 -20.520
  573   2HD   PRO  72          HD3       PRO  72   8.718  11.961 -19.672
  574    H    THR  73           H        THR  73   6.558   8.300 -18.431
  575    HA   THR  73           HA       THR  73   3.934   7.486 -17.317
  576    HB   THR  73           HB       THR  73   4.477   5.349 -18.684
  577    HG1  THR  73           HG1      THR  73   5.949   5.616 -20.333
  578   1HG2  THR  73          HG21      THR  73   3.599   6.292 -20.763
  579   2HG2  THR  73          HG22      THR  73   2.769   7.021 -19.380
  580   3HG2  THR  73          HG23      THR  73   4.022   7.938 -20.244
  581    H    HIS  74           H        HIS  74   6.821   8.041 -16.099
  582    HA   HIS  74           HA       HIS  74   6.891   5.540 -14.474
  583   1HB   HIS  74          HB2       HIS  74   9.270   6.991 -15.673
  584   2HB   HIS  74          HB3       HIS  74   9.320   5.636 -14.537
  585    HD1  HIS  74           HD1      HIS  74   8.944   6.358 -18.194
  586    HD2  HIS  74           HD2      HIS  74   8.292   3.205 -15.488
  587    HE1  HIS  74           HE1      HIS  74   8.615   4.251 -19.612
  588    H    ALA  75           H        ALA  75   5.511   6.884 -13.180
  589    HA   ALA  75           HA       ALA  75   6.589   9.087 -11.627
  590   1HB   ALA  75          HB1       ALA  75   4.683   8.590 -10.122
  591   2HB   ALA  75          HB2       ALA  75   4.155   8.744 -11.800
  592   3HB   ALA  75          HB3       ALA  75   4.305   7.136 -11.061
  593    H    MET  76           H        MET  76   8.472   8.673 -10.622
  594    HA   MET  76           HA       MET  76   9.604   6.379  -9.613
  595   1HB   MET  76          HB2       MET  76  10.586   8.681  -9.791
  596   2HB   MET  76          HB3       MET  76   9.609   9.196  -8.423
  597   1HG   MET  76          HG2       MET  76  10.768   7.405  -7.046
  598   2HG   MET  76          HG3       MET  76  11.851   7.152  -8.415
  599   1HE   MET  76          HE1       MET  76  12.260  10.220  -9.496
  600   2HE   MET  76          HE2       MET  76  13.686  10.707  -8.560
  601   3HE   MET  76          HE3       MET  76  13.623   9.091  -9.287
  602    H    LYS  77           H        LYS  77   8.995   4.933  -8.045
  603    HA   LYS  77           HA       LYS  77   7.304   5.931  -5.777
  604   1HB   LYS  77          HB2       LYS  77   7.806   3.139  -6.844
  605   2HB   LYS  77          HB3       LYS  77   7.036   3.488  -5.282
  606   1HG   LYS  77          HG2       LYS  77   5.340   4.889  -6.651
  607   2HG   LYS  77          HG3       LYS  77   5.991   4.059  -8.072
  608   1HD   LYS  77          HD2       LYS  77   4.633   2.819  -5.643
  609   2HD   LYS  77          HD3       LYS  77   3.991   2.908  -7.288
  610   1HE   LYS  77          HE2       LYS  77   5.794   1.395  -8.083
  611   2HE   LYS  77          HE3       LYS  77   6.477   1.345  -6.454
  612   1HZ   LYS  77          HZ1       LYS  77   4.441   0.291  -5.687
  613   2HZ   LYS  77          HZ2       LYS  77   3.804   0.312  -7.195
  614   3HZ   LYS  77          HZ3       LYS  77   5.127  -0.588  -6.868
  615    H    ILE  78           H        ILE  78   8.138   5.538  -3.702
  616    HA   ILE  78           HA       ILE  78  11.006   4.812  -3.487
  617    HB   ILE  78           HB       ILE  78   9.801   7.290  -2.222
  618   1HG1  ILE  78          HG12      ILE  78  11.496   7.279  -4.746
  619   2HG1  ILE  78          HG13      ILE  78   9.799   7.734  -4.633
  620   1HG2  ILE  78          HG21      ILE  78  12.724   6.540  -2.583
  621   2HG2  ILE  78          HG22      ILE  78  12.075   7.885  -1.629
  622   3HG2  ILE  78          HG23      ILE  78  11.799   6.244  -1.097
  623   1HD1  ILE  78          HD11      ILE  78  11.101   9.723  -4.738
  624   2HD1  ILE  78          HD12      ILE  78  10.419   9.603  -3.111
  625   3HD1  ILE  78          HD13      ILE  78  12.135   9.230  -3.399
  626    H    THR  79           H        THR  79  11.424   3.805  -1.556
  627    HA   THR  79           HA       THR  79   9.447   3.755   0.642
  628    HB   THR  79           HB       THR  79  10.183   1.194   0.687
  629    HG1  THR  79           HG1      THR  79  11.271   1.732  -1.552
  630   1HG2  THR  79          HG21      THR  79   7.835   2.112   0.465
  631   2HG2  THR  79          HG22      THR  79   8.042   2.092  -1.289
  632   3HG2  THR  79          HG23      THR  79   8.117   0.572  -0.351
  633    H    PHE  80           H        PHE  80  10.524   3.165   2.700
  634    HA   PHE  80           HA       PHE  80  13.348   4.027   2.756
  635   1HB   PHE  80          HB2       PHE  80  11.438   3.019   4.898
  636   2HB   PHE  80          HB3       PHE  80  13.131   3.370   5.205
  637    HD1  PHE  80           HD1      PHE  80   9.956   4.731   5.531
  638    HD2  PHE  80           HD2      PHE  80  13.928   5.806   4.240
  639    HE1  PHE  80           HE1      PHE  80   9.447   7.126   5.934
  640    HE2  PHE  80           HE2      PHE  80  13.389   8.197   4.562
  641    HZ   PHE  80           HZ       PHE  80  11.127   8.858   5.399
  642    H    ALA  81           H        ALA  81  15.029   2.655   2.430
  643    HA   ALA  81           HA       ALA  81  14.621  -0.250   2.264
  644   1HB   ALA  81          HB1       ALA  81  16.947  -0.325   1.624
  645   2HB   ALA  81          HB2       ALA  81  16.185   0.984   0.731
  646   3HB   ALA  81          HB3       ALA  81  17.209   1.348   2.140
  647    H    LYS  82           H        LYS  82  17.039  -1.028   3.481
  648    HA   LYS  82           HA       LYS  82  16.677  -0.415   6.378
  649   1HB   LYS  82          HB2       LYS  82  17.034  -3.210   5.202
  650   2HB   LYS  82          HB3       LYS  82  16.847  -2.784   6.910
  651   1HG   LYS  82          HG2       LYS  82  14.575  -1.807   6.319
  652   2HG   LYS  82          HG3       LYS  82  14.762  -2.479   4.705
  653   1HD   LYS  82          HD2       LYS  82  13.455  -4.068   5.800
  654   2HD   LYS  82          HD3       LYS  82  15.076  -4.773   5.791
  655   1HE   LYS  82          HE2       LYS  82  15.402  -3.951   8.145
  656   2HE   LYS  82          HE3       LYS  82  13.764  -3.277   8.113
  657   1HZ   LYS  82          HZ1       LYS  82  12.909  -5.525   7.834
  658   2HZ   LYS  82          HZ2       LYS  82  14.420  -6.155   7.853
  659   3HZ   LYS  82          HZ3       LYS  82  13.816  -5.438   9.184
  660    H    LYS  83           H        LYS  83  18.695  -1.805   7.478
  661    HA   LYS  83           HA       LYS  83  21.158  -1.484   5.927
  662   1HB   LYS  83          HB2       LYS  83  20.694  -0.166   8.643
  663   2HB   LYS  83          HB3       LYS  83  22.264  -0.353   7.850
  664   1HG   LYS  83          HG2       LYS  83  21.408   0.996   5.913
  665   2HG   LYS  83          HG3       LYS  83  19.924   1.297   6.810
  666   1HD   LYS  83          HD2       LYS  83  22.735   2.167   7.540
  667   2HD   LYS  83          HD3       LYS  83  21.428   3.201   6.979
  668   1HE   LYS  83          HE2       LYS  83  21.411   1.634   9.603
  669   2HE   LYS  83          HE3       LYS  83  21.918   3.315   9.467
  670   1HZ   LYS  83          HZ1       LYS  83  19.729   3.988   8.957
  671   2HZ   LYS  83          HZ2       LYS  83  19.196   2.480   8.644
  672   3HZ   LYS  83          HZ3       LYS  83  19.565   2.935  10.180
  Start of MODEL    9
    1   1H    ALA   1          H1        ALA   1  11.741  -7.274   0.135
    2   2H    ALA   1          H2        ALA   1  11.187  -7.657   1.622
    3   3H    ALA   1          H3        ALA   1  10.891  -8.661   0.355
    4    HA   ALA   1           HA       ALA   1   9.528  -7.018  -0.711
    5   1HB   ALA   1          HB1       ALA   1   8.676  -7.534   2.178
    6   2HB   ALA   1          HB2       ALA   1   7.619  -7.005   0.853
    7   3HB   ALA   1          HB3       ALA   1   8.378  -8.605   0.788
    8    H    GLN   2           H        GLN   2   9.333  -4.879  -1.119
    9    HA   GLN   2           HA       GLN   2  10.640  -2.910   0.535
   10   1HB   GLN   2          HB2       GLN   2   9.923  -1.334  -1.065
   11   2HB   GLN   2          HB3       GLN   2  10.397  -2.775  -1.953
   12   1HG   GLN   2          HG2       GLN   2   7.937  -3.387  -2.120
   13   2HG   GLN   2          HG3       GLN   2   7.550  -1.829  -1.386
   14   1HE2  GLN   2          HE22      GLN   2   9.389  -0.067  -2.731
   15   2HE2  GLN   2          HE21      GLN   2   9.018  -0.113  -4.439
   16    H    THR   3           H        THR   3   9.596  -1.200   1.816
   17    HA   THR   3           HA       THR   3   6.726  -1.222   2.212
   18    HB   THR   3           HB       THR   3   8.378  -1.730   4.709
   19    HG1  THR   3           HG1      THR   3   7.468  -3.683   2.919
   20   1HG2  THR   3          HG21      THR   3   6.015  -1.042   5.019
   21   2HG2  THR   3          HG22      THR   3   5.478  -2.392   3.999
   22   3HG2  THR   3          HG23      THR   3   6.263  -2.701   5.564
   23    H    GLU   4           H        GLU   4   6.112   0.635   3.637
   24    HA   GLU   4           HA       GLU   4   8.113   2.805   3.673
   25   1HB   GLU   4          HB2       GLU   4   5.726   3.252   3.086
   26   2HB   GLU   4          HB3       GLU   4   5.234   2.700   4.696
   27   1HG   GLU   4          HG2       GLU   4   6.506   4.532   5.740
   28   2HG   GLU   4          HG3       GLU   4   7.174   4.999   4.173
   29    H    GLN   5           H        GLN   5   8.862   3.637   5.830
   30    HA   GLN   5           HA       GLN   5   8.607   1.817   8.133
   31   1HB   GLN   5          HB2       GLN   5  11.216   2.435   6.665
   32   2HB   GLN   5          HB3       GLN   5  11.139   1.644   8.214
   33   1HG   GLN   5          HG2       GLN   5   9.981   0.425   5.675
   34   2HG   GLN   5          HG3       GLN   5  11.604   0.149   6.271
   35   1HE2  GLN   5          HE22      GLN   5   8.137  -0.336   7.091
   36   2HE2  GLN   5          HE21      GLN   5   8.431  -1.659   8.208
   37    HA   PRO   6           HA       PRO   6  10.050   5.705  10.281
   38   1HB   PRO   6          HB2       PRO   6  12.111   3.788  11.384
   39   2HB   PRO   6          HB3       PRO   6  11.204   5.071  12.243
   40   1HG   PRO   6          HG2       PRO   6  10.465   2.488  12.522
   41   2HG   PRO   6          HG3       PRO   6   9.213   3.751  12.279
   42   1HD   PRO   6          HD2       PRO   6  10.395   1.857  10.241
   43   2HD   PRO   6          HD3       PRO   6   8.682   2.305  10.494
   44    HA   PRO   7           HA       PRO   7  13.055   6.927   7.420
   45   1HB   PRO   7          HB2       PRO   7  14.942   8.442   8.835
   46   2HB   PRO   7          HB3       PRO   7  13.348   9.003   8.260
   47   1HG   PRO   7          HG2       PRO   7  14.114   7.986  10.998
   48   2HG   PRO   7          HG3       PRO   7  13.071   9.384  10.581
   49   1HD   PRO   7          HD2       PRO   7  12.013   7.003  11.315
   50   2HD   PRO   7          HD3       PRO   7  11.254   7.963  10.009
   51    H    ASN   8           H        ASN   8  14.950   6.314   6.400
   52    HA   ASN   8           HA       ASN   8  16.958   4.688   7.832
   53   1HB   ASN   8          HB2       ASN   8  15.187   3.084   6.994
   54   2HB   ASN   8          HB3       ASN   8  15.433   3.711   5.365
   55   1HD2  ASN   8          HD21      ASN   8  17.200   2.934   4.154
   56   2HD2  ASN   8          HD22      ASN   8  18.353   1.776   4.806
   57    H    GLN   9           H        GLN   9  18.933   5.126   6.999
   58    HA   GLN   9           HA       GLN   9  19.552   7.327   5.502
   59   1HB   GLN   9          HB2       GLN   9  20.989   5.911   7.018
   60   2HB   GLN   9          HB3       GLN   9  21.147   4.740   5.707
   61   1HG   GLN   9          HG2       GLN   9  22.305   6.351   4.342
   62   2HG   GLN   9          HG3       GLN   9  21.949   7.645   5.509
   63   1HE2  GLN   9          HE22      GLN   9  24.362   7.746   5.051
   64   2HE2  GLN   9          HE21      GLN   9  25.419   6.917   6.197
   65    H    ILE  10           H        ILE  10  18.679   4.245   4.195
   66    HA   ILE  10           HA       ILE  10  19.485   5.051   1.449
   67    HB   ILE  10           HB       ILE  10  19.533   2.303   2.753
   68   1HG1  ILE  10          HG12      ILE  10  21.818   3.984   1.642
   69   2HG1  ILE  10          HG13      ILE  10  21.443   3.806   3.353
   70   1HG2  ILE  10          HG21      ILE  10  20.324   2.985  -0.116
   71   2HG2  ILE  10          HG22      ILE  10  20.350   1.384   0.647
   72   3HG2  ILE  10          HG23      ILE  10  18.816   2.166   0.335
   73   1HD1  ILE  10          HD11      ILE  10  22.431   1.614   1.508
   74   2HD1  ILE  10          HD12      ILE  10  23.251   2.347   2.893
   75   3HD1  ILE  10          HD13      ILE  10  21.821   1.334   3.160
   76    H    LEU  11           H        LEU  11  17.997   4.607  -0.154
   77    HA   LEU  11           HA       LEU  11  15.195   3.960   0.685
   78   1HB   LEU  11          HB2       LEU  11  16.186   5.789  -1.540
   79   2HB   LEU  11          HB3       LEU  11  14.503   5.432  -1.168
   80    HG   LEU  11           HG       LEU  11  16.413   6.922   0.686
   81   1HD1  LEU  11          HD11      LEU  11  14.182   7.979  -1.089
   82   2HD1  LEU  11          HD12      LEU  11  15.161   8.926   0.046
   83   3HD1  LEU  11          HD13      LEU  11  15.922   8.185  -1.364
   84   1HD2  LEU  11          HD21      LEU  11  14.710   5.828   2.005
   85   2HD2  LEU  11          HD22      LEU  11  14.271   7.533   1.881
   86   3HD2  LEU  11          HD23      LEU  11  13.425   6.334   0.882
   87    H    PHE  12           H        PHE  12  14.055   2.683  -0.841
   88    HA   PHE  12           HA       PHE  12  15.643   1.415  -3.024
   89   1HB   PHE  12          HB2       PHE  12  15.170  -0.312  -1.359
   90   2HB   PHE  12          HB3       PHE  12  13.487   0.192  -1.256
   91    HD1  PHE  12           HD1      PHE  12  15.991  -0.935  -3.856
   92    HD2  PHE  12           HD2      PHE  12  11.863  -0.872  -2.632
   93    HE1  PHE  12           HE1      PHE  12  15.426  -2.472  -5.707
   94    HE2  PHE  12           HE2      PHE  12  11.299  -2.434  -4.471
   95    HZ   PHE  12           HZ       PHE  12  13.080  -3.238  -6.020
   96    H    LEU  13           H        LEU  13  14.658   1.594  -4.995
   97    HA   LEU  13           HA       LEU  13  12.154   3.213  -5.126
   98   1HB   LEU  13          HB2       LEU  13  14.883   3.588  -6.409
   99   2HB   LEU  13          HB3       LEU  13  13.431   4.078  -7.247
  100    HG   LEU  13           HG       LEU  13  12.771   5.489  -5.272
  101   1HD1  LEU  13          HD11      LEU  13  14.776   6.247  -3.850
  102   2HD1  LEU  13          HD12      LEU  13  14.086   4.675  -3.449
  103   3HD1  LEU  13          HD13      LEU  13  15.593   4.756  -4.376
  104   1HD2  LEU  13          HD21      LEU  13  14.227   7.301  -5.956
  105   2HD2  LEU  13          HD22      LEU  13  15.420   6.164  -6.610
  106   3HD2  LEU  13          HD23      LEU  13  13.824   6.345  -7.376
  107    H    THR  14           H        THR  14  10.905   2.920  -6.917
  108    HA   THR  14           HA       THR  14  11.320   0.591  -8.678
  109    HB   THR  14           HB       THR  14   8.768   0.162  -7.820
  110    HG1  THR  14           HG1      THR  14  10.163   1.316  -5.650
  111   1HG2  THR  14          HG21      THR  14  11.328  -0.916  -6.653
  112   2HG2  THR  14          HG22      THR  14   9.715  -1.576  -6.270
  113   3HG2  THR  14          HG23      THR  14  10.296  -1.604  -7.939
  114    H    ASN  15           H        ASN  15   9.361   0.392 -10.155
  115    HA   ASN  15           HA       ASN  15   8.164   1.151 -11.830
  116   1HB   ASN  15          HB2       ASN  15   6.613   1.716  -9.926
  117   2HB   ASN  15          HB3       ASN  15   7.225   3.370  -9.984
  118   1HD2  ASN  15          HD22      ASN  15   5.764   4.683 -11.020
  119   2HD2  ASN  15          HD21      ASN  15   4.733   4.187 -12.358
  120    H    LEU  16           H        LEU  16  10.885   2.101 -11.603
  121    HA   LEU  16           HA       LEU  16  11.006   4.853 -12.575
  122   1HB   LEU  16          HB2       LEU  16  13.216   2.781 -12.637
  123   2HB   LEU  16          HB3       LEU  16  13.383   4.519 -12.583
  124    HG   LEU  16           HG       LEU  16  12.410   2.780 -10.286
  125   1HD1  LEU  16          HD11      LEU  16  14.788   2.504 -10.852
  126   2HD1  LEU  16          HD12      LEU  16  15.027   4.244 -10.702
  127   3HD1  LEU  16          HD13      LEU  16  14.556   3.287  -9.275
  128   1HD2  LEU  16          HD21      LEU  16  13.182   5.699 -10.105
  129   2HD2  LEU  16          HD22      LEU  16  11.495   5.198 -10.396
  130   3HD2  LEU  16          HD23      LEU  16  12.303   4.698  -8.933
  131    HA   PRO  17           HA       PRO  17  10.945   4.137 -17.020
  132   1HB   PRO  17          HB2       PRO  17  13.842   4.939 -17.077
  133   2HB   PRO  17          HB3       PRO  17  12.515   5.416 -18.179
  134   1HG   PRO  17          HG2       PRO  17  13.349   7.060 -16.203
  135   2HG   PRO  17          HG3       PRO  17  11.597   6.886 -16.540
  136   1HD   PRO  17          HD2       PRO  17  13.200   5.697 -14.317
  137   2HD   PRO  17          HD3       PRO  17  11.515   6.280 -14.310
  138    H    GLU  18           H        GLU  18  11.733   2.638 -18.680
  139    HA   GLU  18           HA       GLU  18  13.170   0.276 -17.683
  140   1HB   GLU  18          HB2       GLU  18  12.114   1.028 -20.448
  141   2HB   GLU  18          HB3       GLU  18  12.840  -0.531 -20.025
  142   1HG   GLU  18          HG2       GLU  18  11.064  -0.883 -18.309
  143   2HG   GLU  18          HG3       GLU  18  10.286   0.615 -18.823
  144    H    GLU  19           H        GLU  19  14.293   3.229 -18.246
  145    HA   GLU  19           HA       GLU  19  16.756   2.410 -19.554
  146   1HB   GLU  19          HB2       GLU  19  15.134   4.922 -20.151
  147   2HB   GLU  19          HB3       GLU  19  16.650   4.496 -20.928
  148   1HG   GLU  19          HG2       GLU  19  13.996   3.030 -21.212
  149   2HG   GLU  19          HG3       GLU  19  14.726   4.114 -22.381
  150    H    THR  20           H        THR  20  15.704   3.346 -16.651
  151    HA   THR  20           HA       THR  20  16.890   5.826 -16.055
  152    HB   THR  20           HB       THR  20  16.883   3.637 -13.997
  153    HG1  THR  20           HG1      THR  20  14.949   3.111 -14.407
  154   1HG2  THR  20          HG21      THR  20  15.775   6.486 -14.045
  155   2HG2  THR  20          HG22      THR  20  15.863   5.417 -12.629
  156   3HG2  THR  20          HG23      THR  20  17.353   6.010 -13.374
  157    H    ASN  21           H        ASN  21  18.915   6.370 -15.177
  158    HA   ASN  21           HA       ASN  21  21.013   4.297 -15.183
  159   1HB   ASN  21          HB2       ASN  21  21.189   5.470 -17.366
  160   2HB   ASN  21          HB3       ASN  21  21.229   7.025 -16.532
  161   1HD2  ASN  21          HD22      ASN  21  23.353   7.630 -17.242
  162   2HD2  ASN  21          HD21      ASN  21  24.774   6.771 -16.713
  163    H    GLU  22           H        GLU  22  22.837   4.999 -13.819
  164    HA   GLU  22           HA       GLU  22  22.069   5.881 -11.274
  165   1HB   GLU  22          HB2       GLU  22  24.084   4.524 -12.025
  166   2HB   GLU  22          HB3       GLU  22  24.845   6.039 -12.516
  167   1HG   GLU  22          HG2       GLU  22  24.616   6.843 -10.133
  168   2HG   GLU  22          HG3       GLU  22  23.957   5.255  -9.711
  169    H    MET  23           H        MET  23  23.411   7.710 -13.980
  170    HA   MET  23           HA       MET  23  23.911  10.149 -12.628
  171   1HB   MET  23          HB2       MET  23  24.799   9.467 -14.866
  172   2HB   MET  23          HB3       MET  23  23.188   9.725 -15.558
  173   1HG   MET  23          HG2       MET  23  23.289  12.108 -14.885
  174   2HG   MET  23          HG3       MET  23  24.886  11.853 -14.182
  175   1HE   MET  23          HE1       MET  23  27.093  11.584 -15.515
  176   2HE   MET  23          HE2       MET  23  26.501  10.105 -16.309
  177   3HE   MET  23          HE3       MET  23  27.200  11.414 -17.280
  178    H    MET  24           H        MET  24  20.909   8.865 -14.037
  179    HA   MET  24           HA       MET  24  19.502  11.375 -14.196
  180   1HB   MET  24          HB2       MET  24  18.349   8.539 -13.898
  181   2HB   MET  24          HB3       MET  24  17.443   9.998 -14.300
  182   1HG   MET  24          HG2       MET  24  18.859  10.267 -16.331
  183   2HG   MET  24          HG3       MET  24  19.646   8.728 -15.930
  184   1HE   MET  24          HE1       MET  24  18.445   9.194 -18.767
  185   2HE   MET  24          HE2       MET  24  19.125   7.631 -18.255
  186   3HE   MET  24          HE3       MET  24  17.530   7.694 -19.035
  187    H    LEU  25           H        LEU  25  19.463   8.711 -11.819
  188    HA   LEU  25           HA       LEU  25  17.727  10.202 -10.050
  189   1HB   LEU  25          HB2       LEU  25  19.502   7.824  -9.410
  190   2HB   LEU  25          HB3       LEU  25  18.212   8.463  -8.394
  191    HG   LEU  25           HG       LEU  25  17.983   7.013 -11.057
  192   1HD1  LEU  25          HD11      LEU  25  18.208   5.662  -9.027
  193   2HD1  LEU  25          HD12      LEU  25  16.856   6.529  -8.273
  194   3HD1  LEU  25          HD13      LEU  25  16.579   5.500  -9.698
  195   1HD2  LEU  25          HD21      LEU  25  16.405   8.777 -11.334
  196   2HD2  LEU  25          HD22      LEU  25  15.474   7.376 -10.801
  197   3HD2  LEU  25          HD23      LEU  25  15.870   8.671  -9.635
  198    H    SER  26           H        SER  26  21.288   9.885 -10.362
  199    HA   SER  26           HA       SER  26  21.913  11.127  -7.895
  200   1HB   SER  26          HB2       SER  26  23.446  11.249 -10.528
  201   2HB   SER  26          HB3       SER  26  24.078  11.687  -8.931
  202    HG   SER  26           HG       SER  26  23.229   9.144  -9.863
  203    H    MET  27           H        MET  27  21.442  12.638 -11.177
  204    HA   MET  27           HA       MET  27  21.766  15.256 -10.061
  205   1HB   MET  27          HB2       MET  27  21.168  16.162 -12.161
  206   2HB   MET  27          HB3       MET  27  22.209  14.770 -12.403
  207   1HG   MET  27          HG2       MET  27  20.633  14.628 -14.099
  208   2HG   MET  27          HG3       MET  27  20.111  13.431 -12.931
  209   1HE   MET  27          HE1       MET  27  18.267  14.252 -15.281
  210   2HE   MET  27          HE2       MET  27  17.737  13.168 -13.973
  211   3HE   MET  27          HE3       MET  27  16.711  14.530 -14.468
  212    H    LEU  28           H        LEU  28  18.881  13.159 -10.348
  213    HA   LEU  28           HA       LEU  28  17.051  15.269  -9.658
  214   1HB   LEU  28          HB2       LEU  28  16.856  12.253  -9.371
  215   2HB   LEU  28          HB3       LEU  28  15.560  13.344  -8.895
  216    HG   LEU  28           HG       LEU  28  16.690  13.151 -11.708
  217   1HD1  LEU  28          HD11      LEU  28  14.050  12.124 -10.598
  218   2HD1  LEU  28          HD12      LEU  28  14.611  12.003 -12.281
  219   3HD1  LEU  28          HD13      LEU  28  15.456  11.115 -11.008
  220   1HD2  LEU  28          HD21      LEU  28  14.308  14.705 -10.625
  221   2HD2  LEU  28          HD22      LEU  28  15.776  15.379 -11.372
  222   3HD2  LEU  28          HD23      LEU  28  14.656  14.446 -12.350
  223    H    PHE  29           H        PHE  29  18.519  12.720  -7.570
  224    HA   PHE  29           HA       PHE  29  17.269  13.942  -5.249
  225   1HB   PHE  29          HB2       PHE  29  19.221  11.647  -5.638
  226   2HB   PHE  29          HB3       PHE  29  18.791  12.256  -4.045
  227    HD1  PHE  29           HD1      PHE  29  16.849  11.669  -2.927
  228    HD2  PHE  29           HD2      PHE  29  17.236  10.734  -7.111
  229    HE1  PHE  29           HE1      PHE  29  14.773  10.317  -2.811
  230    HE2  PHE  29           HE2      PHE  29  15.185   9.364  -6.991
  231    HZ   PHE  29           HZ       PHE  29  13.931   9.181  -4.849
  232    H    ASN  30           H        ASN  30  20.499  14.357  -6.709
  233    HA   ASN  30           HA       ASN  30  21.829  15.199  -4.384
  234   1HB   ASN  30          HB2       ASN  30  22.980  14.555  -6.377
  235   2HB   ASN  30          HB3       ASN  30  22.326  15.958  -7.255
  236   1HD2  ASN  30          HD22      ASN  30  23.864  17.596  -7.453
  237   2HD2  ASN  30          HD21      ASN  30  25.110  17.931  -6.284
  238    H    GLN  31           H        GLN  31  19.317  16.901  -6.035
  239    HA   GLN  31           HA       GLN  31  20.056  19.575  -5.496
  240   1HB   GLN  31          HB2       GLN  31  17.752  20.126  -5.784
  241   2HB   GLN  31          HB3       GLN  31  18.149  18.854  -6.940
  242   1HG   GLN  31          HG2       GLN  31  17.117  17.179  -5.348
  243   2HG   GLN  31          HG3       GLN  31  16.643  18.516  -4.308
  244   1HE2  GLN  31          HE22      GLN  31  15.839  16.755  -7.189
  245   2HE2  GLN  31          HE21      GLN  31  14.399  17.674  -7.614
  246    H    PHE  32           H        PHE  32  18.980  16.985  -3.331
  247    HA   PHE  32           HA       PHE  32  18.205  18.855  -1.210
  248   1HB   PHE  32          HB2       PHE  32  18.486  15.836  -1.118
  249   2HB   PHE  32          HB3       PHE  32  17.640  16.852   0.047
  250    HD1  PHE  32           HD1      PHE  32  15.754  18.480  -1.192
  251    HD2  PHE  32           HD2      PHE  32  17.145  14.655  -2.610
  252    HE1  PHE  32           HE1      PHE  32  13.751  18.273  -2.647
  253    HE2  PHE  32           HE2      PHE  32  15.153  14.445  -4.036
  254    HZ   PHE  32           HZ       PHE  32  13.483  16.273  -4.116
  255    HA   PRO  33           HA       PRO  33  22.400  19.013   0.246
  256   1HB   PRO  33          HB2       PRO  33  22.125  20.313   2.628
  257   2HB   PRO  33          HB3       PRO  33  21.693  21.059   1.069
  258   1HG   PRO  33          HG2       PRO  33  19.829  19.655   3.012
  259   2HG   PRO  33          HG3       PRO  33  19.645  21.286   2.291
  260   1HD   PRO  33          HD2       PRO  33  18.441  19.082   1.216
  261   2HD   PRO  33          HD3       PRO  33  19.081  20.402   0.190
  262    H    GLY  34           H        GLY  34  21.452  16.420   0.450
  263   1HA   GLY  34          HA2       GLY  34  22.901  15.395   2.797
  264   2HA   GLY  34          HA3       GLY  34  21.175  15.003   2.702
  265    H    PHE  35           H        PHE  35  21.890  14.989  -0.541
  266    HA   PHE  35           HA       PHE  35  21.803  12.234  -0.838
  267   1HB   PHE  35          HB2       PHE  35  21.208  13.842  -2.542
  268   2HB   PHE  35          HB3       PHE  35  22.825  14.540  -2.527
  269    HD1  PHE  35           HD1      PHE  35  24.672  13.541  -3.744
  270    HD2  PHE  35           HD2      PHE  35  20.792  11.656  -3.668
  271    HE1  PHE  35           HE1      PHE  35  25.330  12.079  -5.646
  272    HE2  PHE  35           HE2      PHE  35  21.447  10.231  -5.573
  273    HZ   PHE  35           HZ       PHE  35  23.713  10.445  -6.561
  274    H    LYS  36           H        LYS  36  23.347  10.750  -1.470
  275    HA   LYS  36           HA       LYS  36  26.234  11.453  -1.199
  276   1HB   LYS  36          HB2       LYS  36  24.956   8.917  -0.107
  277   2HB   LYS  36          HB3       LYS  36  26.671   9.212  -0.171
  278   1HG   LYS  36          HG2       LYS  36  24.916  11.093   1.425
  279   2HG   LYS  36          HG3       LYS  36  25.275   9.473   2.025
  280   1HD   LYS  36          HD2       LYS  36  26.820  11.028   3.015
  281   2HD   LYS  36          HD3       LYS  36  27.646   9.864   1.989
  282   1HE   LYS  36          HE2       LYS  36  28.668  11.945   1.583
  283   2HE   LYS  36          HE3       LYS  36  27.690  11.566   0.154
  284   1HZ   LYS  36          HZ1       LYS  36  26.668  13.309   2.323
  285   2HZ   LYS  36          HZ2       LYS  36  27.561  13.919   1.083
  286   3HZ   LYS  36          HZ3       LYS  36  26.127  13.203   0.776
  287    H    GLU  37           H        GLU  37  23.920   8.818  -2.250
  288    HA   GLU  37           HA       GLU  37  25.447   8.613  -4.759
  289   1HB   GLU  37          HB2       GLU  37  26.617   7.357  -2.672
  290   2HB   GLU  37          HB3       GLU  37  25.440   6.108  -3.060
  291   1HG   GLU  37          HG2       GLU  37  26.353   6.000  -5.377
  292   2HG   GLU  37          HG3       GLU  37  27.430   7.344  -5.021
  293    H    VAL  38           H        VAL  38  24.726   6.635  -6.036
  294    HA   VAL  38           HA       VAL  38  21.954   5.725  -5.530
  295    HB   VAL  38           HB       VAL  38  23.129   6.773  -8.142
  296   1HG1  VAL  38          HG11      VAL  38  21.717   4.805  -8.663
  297   2HG1  VAL  38          HG12      VAL  38  20.381   5.513  -7.721
  298   3HG1  VAL  38          HG13      VAL  38  20.979   6.282  -9.213
  299   1HG2  VAL  38          HG21      VAL  38  21.264   8.376  -8.081
  300   2HG2  VAL  38          HG22      VAL  38  20.791   7.771  -6.478
  301   3HG2  VAL  38          HG23      VAL  38  22.360   8.567  -6.730
  302    H    ARG  39           H        ARG  39  21.599   3.616  -6.304
  303    HA   ARG  39           HA       ARG  39  23.814   2.146  -7.631
  304   1HB   ARG  39          HB2       ARG  39  23.987   1.498  -5.298
  305   2HB   ARG  39          HB3       ARG  39  22.249   1.251  -5.188
  306   1HG   ARG  39          HG2       ARG  39  22.435  -0.640  -6.837
  307   2HG   ARG  39          HG3       ARG  39  24.197  -0.416  -6.833
  308   1HD   ARG  39          HD2       ARG  39  24.249  -0.895  -4.410
  309   2HD   ARG  39          HD3       ARG  39  22.485  -0.995  -4.378
  310    HE   ARG  39           HE       ARG  39  24.188  -2.835  -6.012
  311   1HH1  ARG  39          HH21      ARG  39  21.574  -2.457  -3.621
  312   2HH1  ARG  39          HH22      ARG  39  21.221  -4.140  -3.548
  313   1HH2  ARG  39          HH11      ARG  39  23.682  -5.061  -5.930
  314   2HH2  ARG  39          HH12      ARG  39  22.438  -5.646  -4.896
  315    H    LEU  40           H        LEU  40  22.801   2.198  -9.601
  316    HA   LEU  40           HA       LEU  40  19.959   1.648  -9.997
  317   1HB   LEU  40          HB2       LEU  40  22.125   2.704 -11.546
  318   2HB   LEU  40          HB3       LEU  40  21.776   1.153 -12.264
  319    HG   LEU  40           HG       LEU  40  20.628   2.929 -13.399
  320   1HD1  LEU  40          HD11      LEU  40  18.520   1.325 -11.902
  321   2HD1  LEU  40          HD12      LEU  40  18.390   2.076 -13.495
  322   3HD1  LEU  40          HD13      LEU  40  19.498   0.723 -13.281
  323   1HD2  LEU  40          HD21      LEU  40  20.409   4.537 -11.535
  324   2HD2  LEU  40          HD22      LEU  40  18.899   4.320 -12.416
  325   3HD2  LEU  40          HD23      LEU  40  19.117   3.557 -10.831
  326    H    VAL  41           H        VAL  41  19.400  -0.278 -11.342
  327    HA   VAL  41           HA       VAL  41  21.123  -2.670 -10.860
  328    HB   VAL  41           HB       VAL  41  18.092  -2.637 -10.871
  329   1HG1  VAL  41          HG11      VAL  41  18.377  -5.007 -10.136
  330   2HG1  VAL  41          HG12      VAL  41  19.061  -4.741 -11.741
  331   3HG1  VAL  41          HG13      VAL  41  20.132  -4.851 -10.325
  332   1HG2  VAL  41          HG21      VAL  41  18.853  -1.647  -8.771
  333   2HG2  VAL  41          HG22      VAL  41  18.333  -3.301  -8.456
  334   3HG2  VAL  41          HG23      VAL  41  20.065  -2.929  -8.557
  335    HA   PRO  42           HA       PRO  42  20.722  -1.418 -15.199
  336   1HB   PRO  42          HB2       PRO  42  23.280  -1.914 -16.110
  337   2HB   PRO  42          HB3       PRO  42  22.857  -0.524 -15.071
  338   1HG   PRO  42          HG2       PRO  42  23.917  -3.232 -14.186
  339   2HG   PRO  42          HG3       PRO  42  24.569  -1.607 -13.782
  340   1HD   PRO  42          HD2       PRO  42  22.881  -2.888 -12.099
  341   2HD   PRO  42          HD3       PRO  42  22.730  -1.122 -12.369
  342    H    ASN  43           H        ASN  43  19.950  -3.970 -14.161
  343    HA   ASN  43           HA       ASN  43  19.764  -5.384 -16.684
  344   1HB   ASN  43          HB2       ASN  43  19.895  -7.582 -15.703
  345   2HB   ASN  43          HB3       ASN  43  21.362  -6.705 -15.304
  346   1HD2  ASN  43          HD22      ASN  43  21.841  -6.331 -13.080
  347   2HD2  ASN  43          HD21      ASN  43  20.819  -6.904 -11.788
  348    H    ARG  44           H        ARG  44  18.204  -3.735 -14.202
  349    HA   ARG  44           HA       ARG  44  15.588  -4.885 -15.050
  350   1HB   ARG  44          HB2       ARG  44  16.666  -4.179 -12.315
  351   2HB   ARG  44          HB3       ARG  44  14.983  -3.854 -12.637
  352   1HG   ARG  44          HG2       ARG  44  16.246  -6.590 -13.095
  353   2HG   ARG  44          HG3       ARG  44  15.509  -6.119 -11.570
  354   1HD   ARG  44          HD2       ARG  44  14.074  -6.199 -14.249
  355   2HD   ARG  44          HD3       ARG  44  13.956  -7.430 -12.992
  356    HE   ARG  44           HE       ARG  44  12.922  -4.629 -12.925
  357   1HH1  ARG  44          HH21      ARG  44  12.972  -7.793 -11.296
  358   2HH1  ARG  44          HH22      ARG  44  11.625  -7.427 -10.282
  359   1HH2  ARG  44          HH11      ARG  44  11.144  -4.168 -11.690
  360   2HH2  ARG  44          HH12      ARG  44  10.556  -5.298 -10.502
  361    H    HIS  45           H        HIS  45  17.356  -2.029 -13.853
  362    HA   HIS  45           HA       HIS  45  17.265   0.115 -14.178
  363   1HB   HIS  45          HB2       HIS  45  15.614  -0.353 -16.675
  364   2HB   HIS  45          HB3       HIS  45  16.537   1.081 -16.263
  365    HD1  HIS  45           HD1      HIS  45  16.974  -2.302 -17.877
  366    HD2  HIS  45           HD2      HIS  45  19.289   0.865 -16.354
  367    HE1  HIS  45           HE1      HIS  45  19.333  -2.638 -18.777
  368    H    ASP  46           H        ASP  46  14.071  -1.443 -14.187
  369    HA   ASP  46           HA       ASP  46  12.605   1.006 -13.679
  370   1HB   ASP  46          HB2       ASP  46  10.689  -0.346 -13.534
  371   2HB   ASP  46          HB3       ASP  46  11.658  -1.025 -14.842
  372    H    ILE  47           H        ILE  47  14.691  -0.840 -11.774
  373    HA   ILE  47           HA       ILE  47  13.556   0.337  -9.311
  374    HB   ILE  47           HB       ILE  47  14.230  -1.630  -8.080
  375   1HG1  ILE  47          HG12      ILE  47  15.591  -2.379 -10.680
  376   2HG1  ILE  47          HG13      ILE  47  16.234  -2.311  -9.039
  377   1HG2  ILE  47          HG21      ILE  47  12.603  -3.201  -8.819
  378   2HG2  ILE  47          HG22      ILE  47  12.012  -1.614  -9.340
  379   3HG2  ILE  47          HG23      ILE  47  12.765  -2.696 -10.513
  380   1HD1  ILE  47          HD11      ILE  47  14.895  -4.342  -8.499
  381   2HD1  ILE  47          HD12      ILE  47  14.412  -4.386 -10.233
  382   3HD1  ILE  47          HD13      ILE  47  16.117  -4.565  -9.786
  383    H    ALA  48           H        ALA  48  15.212   0.683  -7.625
  384    HA   ALA  48           HA       ALA  48  18.034   0.621  -8.217
  385   1HB   ALA  48          HB1       ALA  48  16.716   3.381  -8.148
  386   2HB   ALA  48          HB2       ALA  48  18.446   3.040  -8.323
  387   3HB   ALA  48          HB3       ALA  48  17.331   2.615  -9.628
  388    H    PHE  49           H        PHE  49  19.187   2.077  -6.477
  389    HA   PHE  49           HA       PHE  49  17.586   2.397  -4.029
  390   1HB   PHE  49          HB2       PHE  49  20.410   1.268  -4.108
  391   2HB   PHE  49          HB3       PHE  49  19.528   1.691  -2.666
  392    HD1  PHE  49           HD1      PHE  49  19.518  -0.669  -5.589
  393    HD2  PHE  49           HD2      PHE  49  18.208   0.080  -1.543
  394    HE1  PHE  49           HE1      PHE  49  18.743  -3.019  -5.402
  395    HE2  PHE  49           HE2      PHE  49  17.484  -2.286  -1.345
  396    HZ   PHE  49           HZ       PHE  49  17.743  -3.838  -3.274
  397    H    VAL  50           H        VAL  50  18.465   4.142  -2.688
  398    HA   VAL  50           HA       VAL  50  20.535   5.880  -3.931
  399    HB   VAL  50           HB       VAL  50  17.811   6.838  -2.944
  400   1HG1  VAL  50          HG11      VAL  50  19.587   8.512  -2.590
  401   2HG1  VAL  50          HG12      VAL  50  20.087   8.364  -4.285
  402   3HG1  VAL  50          HG13      VAL  50  18.490   9.023  -3.877
  403   1HG2  VAL  50          HG21      VAL  50  17.508   5.730  -5.100
  404   2HG2  VAL  50          HG22      VAL  50  17.352   7.476  -5.294
  405   3HG2  VAL  50          HG23      VAL  50  18.846   6.651  -5.802
  406    H    GLU  51           H        GLU  51  21.715   7.078  -2.330
  407    HA   GLU  51           HA       GLU  51  21.316   6.184   0.494
  408   1HB   GLU  51          HB2       GLU  51  23.069   4.850  -0.546
  409   2HB   GLU  51          HB3       GLU  51  23.849   6.294  -1.201
  410   1HG   GLU  51          HG2       GLU  51  24.438   7.070   1.055
  411   2HG   GLU  51          HG3       GLU  51  23.544   5.732   1.779
  412    H    PHE  52           H        PHE  52  21.601   7.719   2.006
  413    HA   PHE  52           HA       PHE  52  22.397  10.474   1.199
  414   1HB   PHE  52          HB2       PHE  52  19.980   9.386   2.619
  415   2HB   PHE  52          HB3       PHE  52  20.628  10.890   3.201
  416    HD1  PHE  52           HD1      PHE  52  19.728   9.343  -0.142
  417    HD2  PHE  52           HD2      PHE  52  19.818  12.861   2.344
  418    HE1  PHE  52           HE1      PHE  52  18.763  10.676  -1.985
  419    HE2  PHE  52           HE2      PHE  52  18.797  14.180   0.516
  420    HZ   PHE  52           HZ       PHE  52  18.334  13.103  -1.678
  421    H    THR  53           H        THR  53  22.934  11.809   3.045
  422    HA   THR  53           HA       THR  53  24.993  10.716   4.706
  423    HB   THR  53           HB       THR  53  23.482  13.373   4.785
  424    HG1  THR  53           HG1      THR  53  24.401  13.190   2.842
  425   1HG2  THR  53          HG21      THR  53  24.656  13.055   6.863
  426   2HG2  THR  53          HG22      THR  53  26.147  12.581   6.010
  427   3HG2  THR  53          HG23      THR  53  25.526  14.251   5.882
  428    H    THR  54           H        THR  54  21.670  11.928   5.351
  429    HA   THR  54           HA       THR  54  21.720  10.641   8.013
  430    HB   THR  54           HB       THR  54  20.208  12.912   8.352
  431    HG1  THR  54           HG1      THR  54  21.552  14.606   7.568
  432   1HG2  THR  54          HG21      THR  54  23.213  12.636   8.757
  433   2HG2  THR  54          HG22      THR  54  22.151  13.814   9.567
  434   3HG2  THR  54          HG23      THR  54  21.939  12.085   9.870
  435    H    GLU  55           H        GLU  55  19.996   9.698   8.618
  436    HA   GLU  55           HA       GLU  55  18.276   8.597   6.696
  437   1HB   GLU  55          HB2       GLU  55  17.629   8.605   9.663
  438   2HB   GLU  55          HB3       GLU  55  17.240   7.390   8.440
  439   1HG   GLU  55          HG2       GLU  55  19.913   7.336   8.198
  440   2HG   GLU  55          HG3       GLU  55  19.851   7.938   9.840
  441    H    LEU  56           H        LEU  56  17.752  11.383   8.795
  442    HA   LEU  56           HA       LEU  56  14.943  11.721   8.230
  443   1HB   LEU  56          HB2       LEU  56  17.140  13.443   9.394
  444   2HB   LEU  56          HB3       LEU  56  15.647  14.202   8.852
  445    HG   LEU  56           HG       LEU  56  14.297  12.788  10.324
  446   1HD1  LEU  56          HD11      LEU  56  15.373  11.447  12.126
  447   2HD1  LEU  56          HD12      LEU  56  15.652  10.759  10.528
  448   3HD1  LEU  56          HD13      LEU  56  16.950  11.670  11.337
  449   1HD2  LEU  56          HD21      LEU  56  16.578  14.205  11.768
  450   2HD2  LEU  56          HD22      LEU  56  15.122  14.978  11.104
  451   3HD2  LEU  56          HD23      LEU  56  14.976  13.834  12.445
  452    H    GLN  57           H        GLN  57  17.923  12.586   6.471
  453    HA   GLN  57           HA       GLN  57  16.471  14.469   4.754
  454   1HB   GLN  57          HB2       GLN  57  19.348  13.483   4.621
  455   2HB   GLN  57          HB3       GLN  57  18.596  14.676   3.549
  456   1HG   GLN  57          HG2       GLN  57  17.950  15.921   5.775
  457   2HG   GLN  57          HG3       GLN  57  19.216  14.933   6.502
  458   1HE2  GLN  57          HE22      GLN  57  21.471  15.202   5.591
  459   2HE2  GLN  57          HE21      GLN  57  21.862  16.676   4.692
  460    H    SER  58           H        SER  58  17.661  11.005   4.489
  461    HA   SER  58           HA       SER  58  16.751  10.742   1.785
  462   1HB   SER  58          HB2       SER  58  16.338   8.278   2.697
  463   2HB   SER  58          HB3       SER  58  17.950   8.896   2.365
  464    HG   SER  58           HG       SER  58  17.197   7.850   4.547
  465    H    ASN  59           H        ASN  59  15.092  10.431   4.973
  466    HA   ASN  59           HA       ASN  59  12.504   9.895   3.996
  467   1HB   ASN  59          HB2       ASN  59  12.510   9.752   6.269
  468   2HB   ASN  59          HB3       ASN  59  13.649  11.052   6.484
  469   1HD2  ASN  59          HD22      ASN  59  12.907  13.223   6.700
  470   2HD2  ASN  59          HD21      ASN  59  11.212  13.574   6.979
  471    H    ALA  60           H        ALA  60  14.023  13.123   4.412
  472    HA   ALA  60           HA       ALA  60  11.744  14.543   3.484
  473   1HB   ALA  60          HB1       ALA  60  14.672  15.360   3.258
  474   2HB   ALA  60          HB2       ALA  60  13.261  16.430   3.156
  475   3HB   ALA  60          HB3       ALA  60  13.631  15.606   4.684
  476    H    ALA  61           H        ALA  61  14.528  13.244   1.671
  477    HA   ALA  61           HA       ALA  61  13.715  14.269  -0.871
  478   1HB   ALA  61          HB1       ALA  61  16.008  13.485  -0.340
  479   2HB   ALA  61          HB2       ALA  61  15.410  11.808  -0.261
  480   3HB   ALA  61          HB3       ALA  61  15.319  12.722  -1.785
  481    H    LYS  62           H        LYS  62  13.006  11.173   0.801
  482    HA   LYS  62           HA       LYS  62  11.518   9.922  -1.265
  483   1HB   LYS  62          HB2       LYS  62  12.296   8.713   0.647
  484   2HB   LYS  62          HB3       LYS  62  11.459   9.743   1.776
  485   1HG   LYS  62          HG2       LYS  62  10.033   7.868  -0.147
  486   2HG   LYS  62          HG3       LYS  62  10.535   7.454   1.494
  487   1HD   LYS  62          HD2       LYS  62   9.140   9.523   2.247
  488   2HD   LYS  62          HD3       LYS  62   8.406   9.425   0.633
  489   1HE   LYS  62          HE2       LYS  62   7.903   6.962   1.170
  490   2HE   LYS  62          HE3       LYS  62   8.377   7.335   2.833
  491   1HZ   LYS  62          HZ1       LYS  62   6.044   7.625   2.687
  492   2HZ   LYS  62          HZ2       LYS  62   6.661   9.171   2.705
  493   3HZ   LYS  62          HZ3       LYS  62   6.145   8.517   1.302
  494    H    GLU  63           H        GLU  63  10.379  12.055   1.435
  495    HA   GLU  63           HA       GLU  63   7.678  12.122   0.601
  496   1HB   GLU  63          HB2       GLU  63   9.370  14.177   2.085
  497   2HB   GLU  63          HB3       GLU  63   7.629  14.321   1.889
  498   1HG   GLU  63          HG2       GLU  63   8.993  11.972   3.273
  499   2HG   GLU  63          HG3       GLU  63   8.385  13.396   4.099
  500    H    ALA  64           H        ALA  64  10.445  14.108  -0.402
  501    HA   ALA  64           HA       ALA  64   8.966  16.027  -1.885
  502   1HB   ALA  64          HB1       ALA  64  11.170  16.672  -2.755
  503   2HB   ALA  64          HB2       ALA  64  11.258  16.366  -1.006
  504   3HB   ALA  64          HB3       ALA  64  11.868  15.154  -2.159
  505    H    LEU  65           H        LEU  65  10.532  12.943  -2.927
  506    HA   LEU  65           HA       LEU  65   9.679  13.552  -5.724
  507   1HB   LEU  65          HB2       LEU  65  11.960  11.842  -4.686
  508   2HB   LEU  65          HB3       LEU  65  11.487  11.967  -6.375
  509    HG   LEU  65           HG       LEU  65  12.597  14.205  -4.663
  510   1HD1  LEU  65          HD11      LEU  65  13.689  12.723  -7.099
  511   2HD1  LEU  65          HD12      LEU  65  14.482  14.088  -6.286
  512   3HD1  LEU  65          HD13      LEU  65  14.253  12.556  -5.427
  513   1HD2  LEU  65          HD21      LEU  65  10.997  15.224  -6.216
  514   2HD2  LEU  65          HD22      LEU  65  12.635  15.548  -6.772
  515   3HD2  LEU  65          HD23      LEU  65  11.673  14.288  -7.571
  516    H    GLN  66           H        GLN  66   8.615  11.487  -3.217
  517    HA   GLN  66           HA       GLN  66   7.944   9.214  -4.792
  518   1HB   GLN  66          HB2       GLN  66   6.640  10.561  -2.420
  519   2HB   GLN  66          HB3       GLN  66   5.695   9.396  -3.352
  520   1HG   GLN  66          HG2       GLN  66   7.541   7.720  -3.097
  521   2HG   GLN  66          HG3       GLN  66   8.338   8.820  -1.974
  522   1HE2  GLN  66          HE22      GLN  66   7.103   6.039  -1.519
  523   2HE2  GLN  66          HE21      GLN  66   5.857   6.282  -0.331
  524    H    GLY  67           H        GLY  67   6.762   8.951  -6.544
  525   1HA   GLY  67          HA2       GLY  67   4.992   9.165  -7.999
  526   2HA   GLY  67          HA3       GLY  67   4.431  10.616  -7.167
  527    H    PHE  68           H        PHE  68   7.763  11.061  -7.794
  528    HA   PHE  68           HA       PHE  68   7.215  13.140  -9.684
  529   1HB   PHE  68          HB2       PHE  68   9.054  13.220  -8.046
  530   2HB   PHE  68          HB3       PHE  68   9.811  11.812  -8.783
  531    HD1  PHE  68           HD1      PHE  68  11.074  11.989 -10.865
  532    HD2  PHE  68           HD2      PHE  68   9.099  15.430  -9.167
  533    HE1  PHE  68           HE1      PHE  68  12.364  13.478 -12.370
  534    HE2  PHE  68           HE2      PHE  68  10.404  16.915 -10.667
  535    HZ   PHE  68           HZ       PHE  68  12.039  15.942 -12.273
  536    H    LYS  69           H        LYS  69   6.928  12.933 -11.847
  537    HA   LYS  69           HA       LYS  69   7.429  10.463 -13.294
  538   1HB   LYS  69          HB2       LYS  69   6.470  13.214 -14.019
  539   2HB   LYS  69          HB3       LYS  69   7.382  12.362 -15.262
  540   1HG   LYS  69          HG2       LYS  69   5.119  11.867 -15.654
  541   2HG   LYS  69          HG3       LYS  69   5.914  10.408 -15.080
  542   1HD   LYS  69          HD2       LYS  69   4.985  10.903 -12.764
  543   2HD   LYS  69          HD3       LYS  69   4.006  12.178 -13.497
  544   1HE   LYS  69          HE2       LYS  69   4.033   9.246 -14.371
  545   2HE   LYS  69          HE3       LYS  69   2.877   9.918 -13.207
  546   1HZ   LYS  69          HZ1       LYS  69   3.073  10.581 -16.083
  547   2HZ   LYS  69          HZ2       LYS  69   1.826   9.900 -15.297
  548   3HZ   LYS  69          HZ3       LYS  69   2.168  11.466 -15.021
  549    H    ILE  70           H        ILE  70   9.427   9.697 -13.469
  550    HA   ILE  70           HA       ILE  70  11.799  11.421 -13.775
  551    HB   ILE  70           HB       ILE  70  11.376   8.453 -14.232
  552   1HG1  ILE  70          HG12      ILE  70  12.829   9.865 -11.949
  553   2HG1  ILE  70          HG13      ILE  70  11.138   9.389 -11.846
  554   1HG2  ILE  70          HG21      ILE  70  13.277   9.361 -15.565
  555   2HG2  ILE  70          HG22      ILE  70  13.933  10.128 -14.107
  556   3HG2  ILE  70          HG23      ILE  70  13.878   8.359 -14.241
  557   1HD1  ILE  70          HD11      ILE  70  11.707   7.038 -12.184
  558   2HD1  ILE  70          HD12      ILE  70  13.440   7.449 -12.276
  559   3HD1  ILE  70          HD13      ILE  70  12.534   7.728 -10.786
  560    H    THR  71           H        THR  71   9.592   9.403 -15.840
  561    HA   THR  71           HA       THR  71   9.846  11.387 -17.972
  562    HB   THR  71           HB       THR  71   9.739   9.496 -19.650
  563    HG1  THR  71           HG1      THR  71  10.751   7.541 -18.896
  564   1HG2  THR  71          HG21      THR  71  11.854  10.780 -19.216
  565   2HG2  THR  71          HG22      THR  71  12.328   9.533 -18.040
  566   3HG2  THR  71          HG23      THR  71  12.137   9.119 -19.756
  567    HA   PRO  72           HA       PRO  72   5.662  11.721 -17.910
  568   1HB   PRO  72          HB2       PRO  72   5.318  10.360 -20.591
  569   2HB   PRO  72          HB3       PRO  72   4.510  11.839 -19.972
  570   1HG   PRO  72          HG2       PRO  72   6.673  12.090 -21.561
  571   2HG   PRO  72          HG3       PRO  72   6.559  13.086 -20.072
  572   1HD   PRO  72          HD2       PRO  72   8.138  10.565 -20.543
  573   2HD   PRO  72          HD3       PRO  72   8.617  12.050 -19.668
  574    H    THR  73           H        THR  73   6.493   8.333 -18.415
  575    HA   THR  73           HA       THR  73   3.858   7.555 -17.283
  576    HB   THR  73           HB       THR  73   5.437   5.725 -19.089
  577    HG1  THR  73           HG1      THR  73   4.612   6.634 -20.898
  578   1HG2  THR  73          HG21      THR  73   3.347   4.877 -18.033
  579   2HG2  THR  73          HG22      THR  73   2.436   6.224 -18.744
  580   3HG2  THR  73          HG23      THR  73   3.171   4.985 -19.786
  581    H    HIS  74           H        HIS  74   6.712   8.077 -16.091
  582    HA   HIS  74           HA       HIS  74   6.848   5.545 -14.521
  583   1HB   HIS  74          HB2       HIS  74   9.205   7.042 -15.710
  584   2HB   HIS  74          HB3       HIS  74   9.269   5.636 -14.637
  585    HD1  HIS  74           HD1      HIS  74   9.055   6.496 -18.236
  586    HD2  HIS  74           HD2      HIS  74   8.044   3.287 -15.711
  587    HE1  HIS  74           HE1      HIS  74   8.652   4.476 -19.763
  588    H    ALA  75           H        ALA  75   5.476   6.868 -13.185
  589    HA   ALA  75           HA       ALA  75   6.571   9.070 -11.639
  590   1HB   ALA  75          HB1       ALA  75   4.135   8.719 -11.790
  591   2HB   ALA  75          HB2       ALA  75   4.298   7.111 -11.053
  592   3HB   ALA  75          HB3       ALA  75   4.683   8.568 -10.120
  593    H    MET  76           H        MET  76   8.450   8.671 -10.640
  594    HA   MET  76           HA       MET  76   9.645   6.403  -9.684
  595   1HB   MET  76          HB2       MET  76  10.559   8.719  -9.824
  596   2HB   MET  76          HB3       MET  76   9.579   9.195  -8.444
  597   1HG   MET  76          HG2       MET  76  10.775   7.444  -7.089
  598   2HG   MET  76          HG3       MET  76  11.847   7.177  -8.466
  599   1HE   MET  76          HE1       MET  76  13.549   9.139  -9.410
  600   2HE   MET  76          HE2       MET  76  12.195  10.287  -9.552
  601   3HE   MET  76          HE3       MET  76  13.661  10.743  -8.662
  602    H    LYS  77           H        LYS  77   8.816   4.815  -8.334
  603    HA   LYS  77           HA       LYS  77   7.153   5.658  -6.026
  604   1HB   LYS  77          HB2       LYS  77   6.465   3.690  -7.512
  605   2HB   LYS  77          HB3       LYS  77   7.893   2.834  -6.903
  606   1HG   LYS  77          HG2       LYS  77   7.039   3.113  -4.580
  607   2HG   LYS  77          HG3       LYS  77   5.675   4.050  -5.197
  608   1HD   LYS  77          HD2       LYS  77   4.866   1.870  -4.691
  609   2HD   LYS  77          HD3       LYS  77   4.898   2.006  -6.459
  610   1HE   LYS  77          HE2       LYS  77   6.996   0.734  -6.554
  611   2HE   LYS  77          HE3       LYS  77   7.130   0.764  -4.797
  612   1HZ   LYS  77          HZ1       LYS  77   5.126  -0.744  -6.364
  613   2HZ   LYS  77          HZ2       LYS  77   6.325  -1.342  -5.408
  614   3HZ   LYS  77          HZ3       LYS  77   5.051  -0.578  -4.738
  615    H    ILE  78           H        ILE  78   8.050   5.394  -3.941
  616    HA   ILE  78           HA       ILE  78  10.920   4.664  -3.746
  617    HB   ILE  78           HB       ILE  78   9.713   7.092  -2.385
  618   1HG1  ILE  78          HG12      ILE  78  11.427   7.139  -4.898
  619   2HG1  ILE  78          HG13      ILE  78   9.735   7.610  -4.787
  620   1HG2  ILE  78          HG21      ILE  78  11.996   7.669  -1.782
  621   2HG2  ILE  78          HG22      ILE  78  11.673   6.040  -1.254
  622   3HG2  ILE  78          HG23      ILE  78  12.624   6.310  -2.726
  623   1HD1  ILE  78          HD11      ILE  78  11.036   9.594  -4.825
  624   2HD1  ILE  78          HD12      ILE  78  10.385   9.421  -3.187
  625   3HD1  ILE  78          HD13      ILE  78  12.090   9.047  -3.522
  626    H    THR  79           H        THR  79  11.366   3.675  -1.830
  627    HA   THR  79           HA       THR  79   9.435   3.603   0.381
  628    HB   THR  79           HB       THR  79  10.221   1.020   0.420
  629    HG1  THR  79           HG1      THR  79  11.181   1.581  -1.845
  630   1HG2  THR  79          HG21      THR  79   7.923   1.977  -1.335
  631   2HG2  THR  79          HG22      THR  79   8.081   0.387  -0.558
  632   3HG2  THR  79          HG23      THR  79   7.868   1.834   0.436
  633    H    PHE  80           H        PHE  80  10.633   2.846   2.373
  634    HA   PHE  80           HA       PHE  80  13.404   3.857   2.343
  635   1HB   PHE  80          HB2       PHE  80  11.594   2.711   4.490
  636   2HB   PHE  80          HB3       PHE  80  13.268   3.154   4.779
  637    HD1  PHE  80           HD1      PHE  80   9.867   4.420   4.350
  638    HD2  PHE  80           HD2      PHE  80  14.022   5.564   4.516
  639    HE1  PHE  80           HE1      PHE  80   9.204   6.767   4.788
  640    HE2  PHE  80           HE2      PHE  80  13.360   7.907   4.889
  641    HZ   PHE  80           HZ       PHE  80  10.931   8.519   5.035
  642    H    ALA  81           H        ALA  81  15.210   2.526   2.411
  643    HA   ALA  81           HA       ALA  81  14.837  -0.359   1.902
  644   1HB   ALA  81          HB1       ALA  81  17.264  -0.438   1.766
  645   2HB   ALA  81          HB2       ALA  81  16.684   0.916   0.786
  646   3HB   ALA  81          HB3       ALA  81  17.404   1.212   2.388
  647    H    LYS  82           H        LYS  82  16.404  -1.712   3.474
  648    HA   LYS  82           HA       LYS  82  15.663  -0.986   6.294
  649   1HB   LYS  82          HB2       LYS  82  15.305  -3.631   4.845
  650   2HB   LYS  82          HB3       LYS  82  15.102  -3.400   6.586
  651   1HG   LYS  82          HG2       LYS  82  13.229  -1.875   6.247
  652   2HG   LYS  82          HG3       LYS  82  13.471  -1.873   4.498
  653   1HD   LYS  82          HD2       LYS  82  13.025  -4.302   4.392
  654   2HD   LYS  82          HD3       LYS  82  12.735  -4.332   6.144
  655   1HE   LYS  82          HE2       LYS  82  10.813  -2.863   5.911
  656   2HE   LYS  82          HE3       LYS  82  11.167  -2.581   4.198
  657   1HZ   LYS  82          HZ1       LYS  82  10.409  -5.219   5.322
  658   2HZ   LYS  82          HZ2       LYS  82   9.397  -4.205   4.520
  659   3HZ   LYS  82          HZ3       LYS  82  10.636  -4.861   3.724
  660    H    LYS  83           H        LYS  83  17.769  -0.258   6.725
  661    HA   LYS  83           HA       LYS  83  20.140  -1.886   6.411
  662   1HB   LYS  83          HB2       LYS  83  19.359   0.414   8.246
  663   2HB   LYS  83          HB3       LYS  83  20.894  -0.439   8.424
  664   1HG   LYS  83          HG2       LYS  83  21.695   0.217   6.302
  665   2HG   LYS  83          HG3       LYS  83  20.101   0.700   5.727
  666   1HD   LYS  83          HD2       LYS  83  21.597   2.608   6.201
  667   2HD   LYS  83          HD3       LYS  83  20.070   2.657   7.098
  668   1HE   LYS  83          HE2       LYS  83  21.269   1.759   9.109
  669   2HE   LYS  83          HE3       LYS  83  22.792   1.846   8.211
  670   1HZ   LYS  83          HZ1       LYS  83  22.378   3.789   9.627
  671   2HZ   LYS  83          HZ2       LYS  83  22.510   4.241   8.064
  672   3HZ   LYS  83          HZ3       LYS  83  21.017   4.160   8.792
  Start of MODEL   10
    1   1H    ALA   1          H1        ALA   1  12.380  -7.198   0.376
    2   2H    ALA   1          H2        ALA   1  11.802  -7.593   1.851
    3   3H    ALA   1          H3        ALA   1  11.587  -8.620   0.586
    4    HA   ALA   1           HA       ALA   1  10.181  -7.051  -0.532
    5   1HB   ALA   1          HB1       ALA   1   8.232  -7.111   0.981
    6   2HB   ALA   1          HB2       ALA   1   9.063  -8.675   0.951
    7   3HB   ALA   1          HB3       ALA   1   9.275  -7.581   2.337
    8    H    GLN   2           H        GLN   2   9.926  -4.929  -0.974
    9    HA   GLN   2           HA       GLN   2  11.077  -2.884   0.703
   10   1HB   GLN   2          HB2       GLN   2  10.409  -1.375  -0.969
   11   2HB   GLN   2          HB3       GLN   2  10.890  -2.837  -1.817
   12   1HG   GLN   2          HG2       GLN   2   8.392  -3.440  -1.922
   13   2HG   GLN   2          HG3       GLN   2   8.061  -1.806  -1.343
   14   1HE2  GLN   2          HE22      GLN   2   9.477  -0.035  -2.747
   15   2HE2  GLN   2          HE21      GLN   2   9.329  -0.272  -4.478
   16    H    THR   3           H        THR   3   9.905  -1.213   1.924
   17    HA   THR   3           HA       THR   3   7.026  -1.400   2.239
   18    HB   THR   3           HB       THR   3   8.664  -1.801   4.769
   19    HG1  THR   3           HG1      THR   3   7.876  -3.804   2.978
   20   1HG2  THR   3          HG21      THR   3   6.588  -2.855   5.611
   21   2HG2  THR   3          HG22      THR   3   6.253  -1.225   5.027
   22   3HG2  THR   3          HG23      THR   3   5.812  -2.624   4.029
   23    H    GLU   4           H        GLU   4   6.256   0.453   3.559
   24    HA   GLU   4           HA       GLU   4   8.144   2.727   3.688
   25   1HB   GLU   4          HB2       GLU   4   5.203   2.362   4.431
   26   2HB   GLU   4          HB3       GLU   4   6.092   3.859   4.715
   27   1HG   GLU   4          HG2       GLU   4   5.815   2.631   1.934
   28   2HG   GLU   4          HG3       GLU   4   4.628   3.727   2.623
   29    H    GLN   5           H        GLN   5   8.852   3.538   5.799
   30    HA   GLN   5           HA       GLN   5   8.521   1.760   8.136
   31   1HB   GLN   5          HB2       GLN   5  11.172   2.362   6.736
   32   2HB   GLN   5          HB3       GLN   5  11.048   1.604   8.302
   33   1HG   GLN   5          HG2       GLN   5   9.973   0.333   5.754
   34   2HG   GLN   5          HG3       GLN   5  11.577   0.068   6.411
   35   1HE2  GLN   5          HE22      GLN   5   8.082  -0.386   7.136
   36   2HE2  GLN   5          HE21      GLN   5   8.337  -1.693   8.280
   37    HA   PRO   6           HA       PRO   6   9.781   5.662  10.284
   38   1HB   PRO   6          HB2       PRO   6  11.818   3.833  11.558
   39   2HB   PRO   6          HB3       PRO   6  10.826   5.114  12.319
   40   1HG   PRO   6          HG2       PRO   6  10.135   2.507  12.603
   41   2HG   PRO   6          HG3       PRO   6   8.871   3.734  12.263
   42   1HD   PRO   6          HD2       PRO   6  10.219   1.839  10.330
   43   2HD   PRO   6          HD3       PRO   6   8.483   2.249  10.474
   44    HA   PRO   7           HA       PRO   7  12.833   6.806   7.372
   45   1HB   PRO   7          HB2       PRO   7  14.161   8.390   9.587
   46   2HB   PRO   7          HB3       PRO   7  13.825   8.888   7.897
   47   1HG   PRO   7          HG2       PRO   7  12.169   9.660   9.890
   48   2HG   PRO   7          HG3       PRO   7  11.482   9.064   8.344
   49   1HD   PRO   7          HD2       PRO   7  11.771   7.587  10.963
   50   2HD   PRO   7          HD3       PRO   7  10.420   7.587   9.789
   51    H    ASN   8           H        ASN   8  14.817   6.223   6.514
   52    HA   ASN   8           HA       ASN   8  16.979   5.177   8.210
   53   1HB   ASN   8          HB2       ASN   8  15.741   3.103   7.585
   54   2HB   ASN   8          HB3       ASN   8  15.705   3.616   5.901
   55   1HD2  ASN   8          HD22      ASN   8  16.940   1.916   5.052
   56   2HD2  ASN   8          HD21      ASN   8  18.658   1.740   5.394
   57    H    GLN   9           H        GLN   9  19.020   5.423   7.053
   58    HA   GLN   9           HA       GLN   9  18.959   7.714   5.369
   59   1HB   GLN   9          HB2       GLN   9  21.290   7.835   5.565
   60   2HB   GLN   9          HB3       GLN   9  20.627   7.413   7.129
   61   1HG   GLN   9          HG2       GLN   9  21.298   5.048   6.805
   62   2HG   GLN   9          HG3       GLN   9  21.936   5.441   5.200
   63   1HE2  GLN   9          HE22      GLN   9  23.549   7.461   5.239
   64   2HE2  GLN   9          HE21      GLN   9  24.757   7.362   6.499
   65    H    ILE  10           H        ILE  10  17.956   5.015   4.205
   66    HA   ILE  10           HA       ILE  10  19.325   5.139   1.626
   67    HB   ILE  10           HB       ILE  10  18.968   2.472   3.047
   68   1HG1  ILE  10          HG12      ILE  10  21.559   4.046   2.847
   69   2HG1  ILE  10          HG13      ILE  10  20.672   3.634   4.323
   70   1HG2  ILE  10          HG21      ILE  10  20.279   1.555   1.211
   71   2HG2  ILE  10          HG22      ILE  10  18.989   2.513   0.512
   72   3HG2  ILE  10          HG23      ILE  10  20.628   3.184   0.587
   73   1HD1  ILE  10          HD11      ILE  10  22.143   1.695   2.526
   74   2HD1  ILE  10          HD12      ILE  10  22.525   2.166   4.185
   75   3HD1  ILE  10          HD13      ILE  10  21.064   1.210   3.863
   76    H    LEU  11           H        LEU  11  17.863   4.613  -0.001
   77    HA   LEU  11           HA       LEU  11  15.065   3.895   0.764
   78   1HB   LEU  11          HB2       LEU  11  15.913   5.728  -1.506
   79   2HB   LEU  11          HB3       LEU  11  14.293   5.241  -1.085
   80    HG   LEU  11           HG       LEU  11  14.418   7.416  -0.432
   81   1HD1  LEU  11          HD11      LEU  11  13.393   6.023   1.306
   82   2HD1  LEU  11          HD12      LEU  11  14.952   5.949   2.164
   83   3HD1  LEU  11          HD13      LEU  11  14.118   7.497   1.966
   84   1HD2  LEU  11          HD21      LEU  11  17.001   7.050   1.118
   85   2HD2  LEU  11          HD22      LEU  11  16.901   7.671  -0.543
   86   3HD2  LEU  11          HD23      LEU  11  16.123   8.552   0.771
   87    H    PHE  12           H        PHE  12  13.968   2.686  -0.889
   88    HA   PHE  12           HA       PHE  12  15.640   1.482  -3.037
   89   1HB   PHE  12          HB2       PHE  12  15.258  -0.297  -1.425
   90   2HB   PHE  12          HB3       PHE  12  13.549   0.120  -1.297
   91    HD1  PHE  12           HD1      PHE  12  11.951  -0.829  -2.797
   92    HD2  PHE  12           HD2      PHE  12  16.137  -1.023  -3.781
   93    HE1  PHE  12           HE1      PHE  12  11.443  -2.376  -4.671
   94    HE2  PHE  12           HE2      PHE  12  15.631  -2.561  -5.656
   95    HZ   PHE  12           HZ       PHE  12  13.278  -3.251  -6.101
   96    H    LEU  13           H        LEU  13  14.626   1.559  -5.005
   97    HA   LEU  13           HA       LEU  13  12.071   3.090  -5.136
   98   1HB   LEU  13          HB2       LEU  13  14.712   3.547  -6.585
   99   2HB   LEU  13          HB3       LEU  13  13.165   4.108  -7.203
  100    HG   LEU  13           HG       LEU  13  12.787   5.433  -5.143
  101   1HD1  LEU  13          HD11      LEU  13  14.946   6.069  -3.877
  102   2HD1  LEU  13          HD12      LEU  13  14.181   4.549  -3.447
  103   3HD1  LEU  13          HD13      LEU  13  15.619   4.537  -4.488
  104   1HD2  LEU  13          HD21      LEU  13  15.332   6.041  -6.688
  105   2HD2  LEU  13          HD22      LEU  13  13.681   6.386  -7.251
  106   3HD2  LEU  13          HD23      LEU  13  14.312   7.217  -5.834
  107    H    THR  14           H        THR  14  10.943   2.849  -7.046
  108    HA   THR  14           HA       THR  14  11.379   0.493  -8.750
  109    HB   THR  14           HB       THR  14   8.734   0.231  -7.931
  110    HG1  THR  14           HG1      THR  14   9.375   1.738  -6.108
  111   1HG2  THR  14          HG21      THR  14   9.590  -1.675  -6.545
  112   2HG2  THR  14          HG22      THR  14  10.195  -1.617  -8.206
  113   3HG2  THR  14          HG23      THR  14  11.237  -1.067  -6.859
  114    H    ASN  15           H        ASN  15   9.641   0.360 -10.431
  115    HA   ASN  15           HA       ASN  15   8.402   1.111 -12.063
  116   1HB   ASN  15          HB2       ASN  15   6.818   1.769 -10.225
  117   2HB   ASN  15          HB3       ASN  15   7.482   3.402 -10.305
  118   1HD2  ASN  15          HD22      ASN  15   5.961   4.683 -11.318
  119   2HD2  ASN  15          HD21      ASN  15   5.030   4.198 -12.731
  120    H    LEU  16           H        LEU  16  11.195   2.152 -11.625
  121    HA   LEU  16           HA       LEU  16  11.394   4.859 -12.594
  122   1HB   LEU  16          HB2       LEU  16  13.396   2.595 -12.751
  123   2HB   LEU  16          HB3       LEU  16  13.761   4.301 -12.889
  124    HG   LEU  16           HG       LEU  16  12.814   2.900 -10.354
  125   1HD1  LEU  16          HD11      LEU  16  15.109   2.325 -11.091
  126   2HD1  LEU  16          HD12      LEU  16  15.529   4.039 -11.098
  127   3HD1  LEU  16          HD13      LEU  16  15.065   3.243  -9.572
  128   1HD2  LEU  16          HD21      LEU  16  12.062   5.239 -10.368
  129   2HD2  LEU  16          HD22      LEU  16  13.387   5.013  -9.223
  130   3HD2  LEU  16          HD23      LEU  16  13.720   5.764 -10.784
  131    HA   PRO  17           HA       PRO  17  11.043   4.313 -17.082
  132   1HB   PRO  17          HB2       PRO  17  13.783   5.503 -17.263
  133   2HB   PRO  17          HB3       PRO  17  12.301   5.908 -18.171
  134   1HG   PRO  17          HG2       PRO  17  13.228   7.411 -16.084
  135   2HG   PRO  17          HG3       PRO  17  11.481   7.230 -16.411
  136   1HD   PRO  17          HD2       PRO  17  13.088   6.015 -14.230
  137   2HD   PRO  17          HD3       PRO  17  11.356   6.386 -14.298
  138    H    GLU  18           H        GLU  18  11.684   2.668 -18.521
  139    HA   GLU  18           HA       GLU  18  13.424   0.589 -17.590
  140   1HB   GLU  18          HB2       GLU  18  12.866  -0.502 -19.698
  141   2HB   GLU  18          HB3       GLU  18  11.431   0.166 -18.925
  142   1HG   GLU  18          HG2       GLU  18  11.506   2.121 -20.472
  143   2HG   GLU  18          HG3       GLU  18  12.931   1.434 -21.257
  144    H    GLU  19           H        GLU  19  14.389   3.485 -18.585
  145    HA   GLU  19           HA       GLU  19  16.836   2.553 -19.865
  146   1HB   GLU  19          HB2       GLU  19  15.452   5.222 -20.350
  147   2HB   GLU  19          HB3       GLU  19  16.868   4.590 -21.199
  148   1HG   GLU  19          HG2       GLU  19  15.390   2.700 -22.051
  149   2HG   GLU  19          HG3       GLU  19  14.008   3.565 -21.359
  150    H    THR  20           H        THR  20  15.842   3.435 -16.929
  151    HA   THR  20           HA       THR  20  17.190   5.855 -16.341
  152    HB   THR  20           HB       THR  20  16.538   3.611 -14.393
  153    HG1  THR  20           HG1      THR  20  14.674   4.069 -15.391
  154   1HG2  THR  20          HG21      THR  20  16.717   6.654 -14.065
  155   2HG2  THR  20          HG22      THR  20  16.180   5.514 -12.821
  156   3HG2  THR  20          HG23      THR  20  17.862   5.477 -13.380
  157    H    ASN  21           H        ASN  21  19.192   6.281 -15.432
  158    HA   ASN  21           HA       ASN  21  21.045   4.070 -14.993
  159   1HB   ASN  21          HB2       ASN  21  22.795   4.889 -16.317
  160   2HB   ASN  21          HB3       ASN  21  21.401   4.963 -17.381
  161   1HD2  ASN  21          HD22      ASN  21  20.515   7.131 -17.893
  162   2HD2  ASN  21          HD21      ASN  21  21.484   8.552 -17.611
  163    H    GLU  22           H        GLU  22  23.048   5.037 -13.861
  164    HA   GLU  22           HA       GLU  22  22.333   6.049 -11.408
  165   1HB   GLU  22          HB2       GLU  22  24.439   4.861 -12.140
  166   2HB   GLU  22          HB3       GLU  22  25.003   6.376 -12.847
  167   1HG   GLU  22          HG2       GLU  22  24.866   7.401 -10.524
  168   2HG   GLU  22          HG3       GLU  22  24.486   5.787  -9.909
  169    H    MET  23           H        MET  23  23.323   7.941 -14.247
  170    HA   MET  23           HA       MET  23  23.852  10.356 -12.782
  171   1HB   MET  23          HB2       MET  23  23.187   9.988 -15.730
  172   2HB   MET  23          HB3       MET  23  23.838  11.456 -14.998
  173   1HG   MET  23          HG2       MET  23  25.847  10.212 -14.254
  174   2HG   MET  23          HG3       MET  23  25.254   8.760 -15.058
  175   1HE   MET  23          HE1       MET  23  25.595   9.562 -18.842
  176   2HE   MET  23          HE2       MET  23  25.240   8.335 -17.607
  177   3HE   MET  23          HE3       MET  23  24.124   9.695 -17.858
  178    H    MET  24           H        MET  24  20.909   9.018 -14.225
  179    HA   MET  24           HA       MET  24  19.399  11.466 -14.290
  180   1HB   MET  24          HB2       MET  24  18.581   8.525 -14.208
  181   2HB   MET  24          HB3       MET  24  17.399   9.840 -14.237
  182   1HG   MET  24          HG2       MET  24  18.139  10.639 -16.327
  183   2HG   MET  24          HG3       MET  24  19.616   9.674 -16.277
  184   1HE   MET  24          HE1       MET  24  15.874   8.422 -15.509
  185   2HE   MET  24          HE2       MET  24  15.712   9.618 -16.818
  186   3HE   MET  24          HE3       MET  24  15.412   7.895 -17.138
  187    H    LEU  25           H        LEU  25  19.455   8.780 -11.913
  188    HA   LEU  25           HA       LEU  25  17.695  10.286 -10.160
  189   1HB   LEU  25          HB2       LEU  25  19.408   7.872  -9.465
  190   2HB   LEU  25          HB3       LEU  25  18.130   8.574  -8.482
  191    HG   LEU  25           HG       LEU  25  17.925   6.995 -11.051
  192   1HD1  LEU  25          HD11      LEU  25  17.978   5.797  -8.910
  193   2HD1  LEU  25          HD12      LEU  25  16.660   6.803  -8.284
  194   3HD1  LEU  25          HD13      LEU  25  16.359   5.671  -9.621
  195   1HD2  LEU  25          HD21      LEU  25  15.429   7.484 -10.984
  196   2HD2  LEU  25          HD22      LEU  25  15.789   8.807  -9.840
  197   3HD2  LEU  25          HD23      LEU  25  16.424   8.841 -11.506
  198    H    SER  26           H        SER  26  21.255   9.969 -10.457
  199    HA   SER  26           HA       SER  26  21.846  11.187  -7.938
  200   1HB   SER  26          HB2       SER  26  23.429  11.303 -10.541
  201   2HB   SER  26          HB3       SER  26  24.034  11.705  -8.923
  202    HG   SER  26           HG       SER  26  23.199   9.204  -9.954
  203    H    MET  27           H        MET  27  21.304  12.571 -11.227
  204    HA   MET  27           HA       MET  27  21.590  15.285 -10.508
  205   1HB   MET  27          HB2       MET  27  21.540  14.465 -12.817
  206   2HB   MET  27          HB3       MET  27  19.858  13.951 -12.629
  207   1HG   MET  27          HG2       MET  27  19.177  16.294 -12.270
  208   2HG   MET  27          HG3       MET  27  20.864  16.800 -12.413
  209   1HE   MET  27          HE1       MET  27  18.738  14.164 -14.617
  210   2HE   MET  27          HE2       MET  27  17.648  15.507 -14.200
  211   3HE   MET  27          HE3       MET  27  18.173  15.274 -15.881
  212    H    LEU  28           H        LEU  28  18.672  13.134 -10.399
  213    HA   LEU  28           HA       LEU  28  16.927  15.267  -9.625
  214   1HB   LEU  28          HB2       LEU  28  16.659  12.256  -9.308
  215   2HB   LEU  28          HB3       LEU  28  15.391  13.394  -8.868
  216    HG   LEU  28           HG       LEU  28  16.534  13.087 -11.668
  217   1HD1  LEU  28          HD11      LEU  28  14.385  12.037 -12.211
  218   2HD1  LEU  28          HD12      LEU  28  15.209  11.130 -10.936
  219   3HD1  LEU  28          HD13      LEU  28  13.853  12.206 -10.523
  220   1HD2  LEU  28          HD21      LEU  28  14.565  14.459 -12.360
  221   2HD2  LEU  28          HD22      LEU  28  14.222  14.783 -10.645
  222   3HD2  LEU  28          HD23      LEU  28  15.724  15.364 -11.401
  223    H    PHE  29           H        PHE  29  18.498  12.754  -7.590
  224    HA   PHE  29           HA       PHE  29  17.272  13.967  -5.228
  225   1HB   PHE  29          HB2       PHE  29  19.191  11.649  -5.664
  226   2HB   PHE  29          HB3       PHE  29  18.785  12.257  -4.064
  227    HD1  PHE  29           HD1      PHE  29  16.812  11.747  -2.932
  228    HD2  PHE  29           HD2      PHE  29  17.243  10.685  -7.087
  229    HE1  PHE  29           HE1      PHE  29  14.742  10.384  -2.796
  230    HE2  PHE  29           HE2      PHE  29  15.194   9.309  -6.944
  231    HZ   PHE  29           HZ       PHE  29  13.928   9.177  -4.811
  232    H    ASN  30           H        ASN  30  20.499  14.348  -6.746
  233    HA   ASN  30           HA       ASN  30  21.856  15.102  -4.396
  234   1HB   ASN  30          HB2       ASN  30  23.001  14.463  -6.398
  235   2HB   ASN  30          HB3       ASN  30  22.387  15.897  -7.255
  236   1HD2  ASN  30          HD22      ASN  30  23.973  17.481  -7.437
  237   2HD2  ASN  30          HD21      ASN  30  25.221  17.776  -6.257
  238    H    GLN  31           H        GLN  31  19.386  16.892  -6.021
  239    HA   GLN  31           HA       GLN  31  20.172  19.541  -5.440
  240   1HB   GLN  31          HB2       GLN  31  17.867  20.131  -5.659
  241   2HB   GLN  31          HB3       GLN  31  18.230  18.894  -6.862
  242   1HG   GLN  31          HG2       GLN  31  17.198  17.177  -5.334
  243   2HG   GLN  31          HG3       GLN  31  16.774  18.465  -4.213
  244   1HE2  GLN  31          HE22      GLN  31  15.799  16.808  -7.071
  245   2HE2  GLN  31          HE21      GLN  31  14.393  17.799  -7.443
  246    H    PHE  32           H        PHE  32  19.074  16.936  -3.299
  247    HA   PHE  32           HA       PHE  32  18.436  18.788  -1.114
  248   1HB   PHE  32          HB2       PHE  32  18.629  15.766  -1.061
  249   2HB   PHE  32          HB3       PHE  32  17.857  16.792   0.135
  250    HD1  PHE  32           HD1      PHE  32  15.930  18.448  -0.994
  251    HD2  PHE  32           HD2      PHE  32  17.237  14.664  -2.589
  252    HE1  PHE  32           HE1      PHE  32  13.885  18.308  -2.397
  253    HE2  PHE  32           HE2      PHE  32  15.213  14.528  -3.970
  254    HZ   PHE  32           HZ       PHE  32  13.558  16.359  -3.934
  255    HA   PRO  33           HA       PRO  33  22.728  18.809   0.009
  256   1HB   PRO  33          HB2       PRO  33  22.684  20.152   2.392
  257   2HB   PRO  33          HB3       PRO  33  22.189  20.893   0.848
  258   1HG   PRO  33          HG2       PRO  33  20.391  19.623   2.938
  259   2HG   PRO  33          HG3       PRO  33  20.241  21.246   2.192
  260   1HD   PRO  33          HD2       PRO  33  18.858  19.092   1.249
  261   2HD   PRO  33          HD3       PRO  33  19.504  20.348   0.149
  262    H    GLY  34           H        GLY  34  21.442  16.260   0.521
  263   1HA   GLY  34          HA2       GLY  34  23.129  15.245   2.743
  264   2HA   GLY  34          HA3       GLY  34  21.394  14.868   2.715
  265    H    PHE  35           H        PHE  35  22.066  14.917  -0.543
  266    HA   PHE  35           HA       PHE  35  21.915  12.184  -0.935
  267   1HB   PHE  35          HB2       PHE  35  21.388  13.892  -2.569
  268   2HB   PHE  35          HB3       PHE  35  23.044  14.497  -2.552
  269    HD1  PHE  35           HD1      PHE  35  24.839  13.366  -3.781
  270    HD2  PHE  35           HD2      PHE  35  20.826  11.808  -3.732
  271    HE1  PHE  35           HE1      PHE  35  25.392  11.867  -5.685
  272    HE2  PHE  35           HE2      PHE  35  21.355  10.364  -5.656
  273    HZ   PHE  35           HZ       PHE  35  23.646  10.362  -6.620
  274    H    LYS  36           H        LYS  36  23.369  10.623  -1.441
  275    HA   LYS  36           HA       LYS  36  26.292  11.217  -1.210
  276   1HB   LYS  36          HB2       LYS  36  24.901   8.749  -0.093
  277   2HB   LYS  36          HB3       LYS  36  26.621   8.995  -0.157
  278   1HG   LYS  36          HG2       LYS  36  24.679  10.767   1.388
  279   2HG   LYS  36          HG3       LYS  36  25.540   9.402   2.086
  280   1HD   LYS  36          HD2       LYS  36  26.817  11.932   0.962
  281   2HD   LYS  36          HD3       LYS  36  26.569  11.533   2.672
  282   1HE   LYS  36          HE2       LYS  36  27.958   9.519   2.431
  283   2HE   LYS  36          HE3       LYS  36  28.249   9.907   0.728
  284   1HZ   LYS  36          HZ1       LYS  36  30.080  10.645   2.126
  285   2HZ   LYS  36          HZ2       LYS  36  29.365  11.943   1.453
  286   3HZ   LYS  36          HZ3       LYS  36  29.100  11.582   3.026
  287    H    GLU  37           H        GLU  37  23.942   8.617  -2.284
  288    HA   GLU  37           HA       GLU  37  25.330   8.496  -4.881
  289   1HB   GLU  37          HB2       GLU  37  26.851   7.326  -3.235
  290   2HB   GLU  37          HB3       GLU  37  25.564   6.180  -2.887
  291   1HG   GLU  37          HG2       GLU  37  25.709   5.213  -5.058
  292   2HG   GLU  37          HG3       GLU  37  26.613   6.588  -5.710
  293    H    VAL  38           H        VAL  38  24.410   6.640  -6.258
  294    HA   VAL  38           HA       VAL  38  21.896   5.514  -5.294
  295    HB   VAL  38           HB       VAL  38  20.588   5.942  -7.167
  296   1HG1  VAL  38          HG11      VAL  38  22.025   8.590  -6.893
  297   2HG1  VAL  38          HG12      VAL  38  20.327   8.311  -7.323
  298   3HG1  VAL  38          HG13      VAL  38  20.882   7.953  -5.683
  299   1HG2  VAL  38          HG21      VAL  38  23.022   7.016  -8.620
  300   2HG2  VAL  38          HG22      VAL  38  22.096   5.528  -8.988
  301   3HG2  VAL  38          HG23      VAL  38  21.368   7.105  -9.238
  302    H    ARG  39           H        ARG  39  21.396   3.518  -6.436
  303    HA   ARG  39           HA       ARG  39  23.648   2.291  -7.946
  304   1HB   ARG  39          HB2       ARG  39  22.412   1.085  -5.428
  305   2HB   ARG  39          HB3       ARG  39  23.626   0.333  -6.468
  306   1HG   ARG  39          HG2       ARG  39  25.214   2.184  -5.927
  307   2HG   ARG  39          HG3       ARG  39  23.994   2.907  -4.868
  308   1HD   ARG  39          HD2       ARG  39  24.032   0.867  -3.452
  309   2HD   ARG  39          HD3       ARG  39  25.390   0.265  -4.422
  310    HE   ARG  39           HE       ARG  39  26.575   2.422  -3.840
  311   1HH1  ARG  39          HH21      ARG  39  24.115   1.246  -1.506
  312   2HH1  ARG  39          HH22      ARG  39  24.674   2.342  -0.264
  313   1HH2  ARG  39          HH11      ARG  39  27.222   3.718  -2.293
  314   2HH2  ARG  39          HH12      ARG  39  26.488   3.779  -0.691
  315    H    LEU  40           H        LEU  40  22.473   2.159  -9.807
  316    HA   LEU  40           HA       LEU  40  19.693   1.318  -9.977
  317   1HB   LEU  40          HB2       LEU  40  21.963   1.969 -11.874
  318   2HB   LEU  40          HB3       LEU  40  20.734   0.898 -12.477
  319    HG   LEU  40           HG       LEU  40  20.370   3.230 -13.110
  320   1HD1  LEU  40          HD11      LEU  40  18.484   1.774 -13.166
  321   2HD1  LEU  40          HD12      LEU  40  18.187   1.959 -11.431
  322   3HD1  LEU  40          HD13      LEU  40  17.947   3.327 -12.514
  323   1HD2  LEU  40          HD21      LEU  40  19.683   3.836 -10.220
  324   2HD2  LEU  40          HD22      LEU  40  21.211   4.273 -11.011
  325   3HD2  LEU  40          HD23      LEU  40  19.694   4.949 -11.610
  326    H    VAL  41           H        VAL  41  19.168  -0.622 -11.266
  327    HA   VAL  41           HA       VAL  41  21.040  -2.919 -10.857
  328    HB   VAL  41           HB       VAL  41  18.016  -2.970 -10.840
  329   1HG1  VAL  41          HG11      VAL  41  18.950  -5.017 -11.804
  330   2HG1  VAL  41          HG12      VAL  41  20.108  -5.164 -10.460
  331   3HG1  VAL  41          HG13      VAL  41  18.370  -5.361 -10.175
  332   1HG2  VAL  41          HG21      VAL  41  18.329  -3.700  -8.452
  333   2HG2  VAL  41          HG22      VAL  41  20.060  -3.333  -8.593
  334   3HG2  VAL  41          HG23      VAL  41  18.852  -2.037  -8.724
  335    HA   PRO  42           HA       PRO  42  20.661  -1.703 -15.207
  336   1HB   PRO  42          HB2       PRO  42  23.229  -2.127 -16.075
  337   2HB   PRO  42          HB3       PRO  42  22.786  -0.768 -15.005
  338   1HG   PRO  42          HG2       PRO  42  23.861  -3.488 -14.175
  339   2HG   PRO  42          HG3       PRO  42  24.506  -1.870 -13.735
  340   1HD   PRO  42          HD2       PRO  42  22.806  -3.207 -12.099
  341   2HD   PRO  42          HD3       PRO  42  22.688  -1.432 -12.303
  342    H    ASN  43           H        ASN  43  19.864  -4.226 -14.160
  343    HA   ASN  43           HA       ASN  43  19.918  -5.758 -16.619
  344   1HB   ASN  43          HB2       ASN  43  19.856  -7.896 -15.520
  345   2HB   ASN  43          HB3       ASN  43  21.307  -7.035 -15.038
  346   1HD2  ASN  43          HD22      ASN  43  21.740  -7.152 -12.839
  347   2HD2  ASN  43          HD21      ASN  43  20.538  -7.417 -11.604
  348    H    ARG  44           H        ARG  44  18.089  -4.115 -14.153
  349    HA   ARG  44           HA       ARG  44  15.687  -4.951 -15.711
  350   1HB   ARG  44          HB2       ARG  44  15.942  -4.723 -12.705
  351   2HB   ARG  44          HB3       ARG  44  14.394  -4.447 -13.512
  352   1HG   ARG  44          HG2       ARG  44  14.500  -6.653 -14.600
  353   2HG   ARG  44          HG3       ARG  44  16.029  -7.005 -13.789
  354   1HD   ARG  44          HD2       ARG  44  13.396  -6.418 -12.364
  355   2HD   ARG  44          HD3       ARG  44  14.037  -8.035 -12.709
  356    HE   ARG  44           HE       ARG  44  15.929  -6.350 -11.317
  357   1HH1  ARG  44          HH22      ARG  44  13.089  -8.407 -10.788
  358   2HH1  ARG  44          HH21      ARG  44  13.546  -8.908  -9.204
  359   1HH2  ARG  44          HH11      ARG  44  16.597  -7.096  -9.194
  360   2HH2  ARG  44          HH12      ARG  44  15.563  -8.113  -8.275
  361    H    HIS  45           H        HIS  45  17.426  -2.331 -14.139
  362    HA   HIS  45           HA       HIS  45  17.268  -0.148 -14.145
  363   1HB   HIS  45          HB2       HIS  45  15.804  -0.474 -16.780
  364   2HB   HIS  45          HB3       HIS  45  16.465   1.027 -16.156
  365    HD1  HIS  45           HD1      HIS  45  19.061   1.436 -16.491
  366    HD2  HIS  45           HD2      HIS  45  17.652  -2.391 -17.562
  367    HE1  HIS  45           HE1      HIS  45  20.975   0.275 -17.709
  368    H    ASP  46           H        ASP  46  14.189  -1.797 -14.065
  369    HA   ASP  46           HA       ASP  46  12.509   0.488 -13.719
  370   1HB   ASP  46          HB2       ASP  46  11.741  -1.798 -14.348
  371   2HB   ASP  46          HB3       ASP  46  12.158  -2.376 -12.739
  372    H    ILE  47           H        ILE  47  14.853  -0.959 -11.640
  373    HA   ILE  47           HA       ILE  47  13.700   0.311  -9.240
  374    HB   ILE  47           HB       ILE  47  14.341  -1.671  -7.993
  375   1HG1  ILE  47          HG12      ILE  47  15.626  -2.520 -10.617
  376   2HG1  ILE  47          HG13      ILE  47  16.347  -2.354  -9.013
  377   1HG2  ILE  47          HG21      ILE  47  12.866  -2.719 -10.440
  378   2HG2  ILE  47          HG22      ILE  47  12.675  -3.192  -8.739
  379   3HG2  ILE  47          HG23      ILE  47  12.133  -1.599  -9.289
  380   1HD1  ILE  47          HD11      ILE  47  15.030  -4.323  -8.274
  381   2HD1  ILE  47          HD12      ILE  47  14.449  -4.489  -9.969
  382   3HD1  ILE  47          HD13      ILE  47  16.174  -4.650  -9.608
  383    H    ALA  48           H        ALA  48  15.267   0.708  -7.545
  384    HA   ALA  48           HA       ALA  48  18.122   0.657  -8.115
  385   1HB   ALA  48          HB1       ALA  48  18.511   3.075  -8.114
  386   2HB   ALA  48          HB2       ALA  48  17.426   2.689  -9.449
  387   3HB   ALA  48          HB3       ALA  48  16.777   3.397  -7.954
  388    H    PHE  49           H        PHE  49  19.274   1.950  -6.373
  389    HA   PHE  49           HA       PHE  49  17.721   2.185  -3.851
  390   1HB   PHE  49          HB2       PHE  49  20.547   1.103  -4.194
  391   2HB   PHE  49          HB3       PHE  49  19.873   1.619  -2.663
  392    HD1  PHE  49           HD1      PHE  49  19.553  -0.925  -5.382
  393    HD2  PHE  49           HD2      PHE  49  18.439   0.207  -1.368
  394    HE1  PHE  49           HE1      PHE  49  18.670  -3.212  -4.979
  395    HE2  PHE  49           HE2      PHE  49  17.596  -2.091  -0.956
  396    HZ   PHE  49           HZ       PHE  49  17.712  -3.806  -2.759
  397    H    VAL  50           H        VAL  50  18.373   4.030  -2.633
  398    HA   VAL  50           HA       VAL  50  20.330   5.899  -3.867
  399    HB   VAL  50           HB       VAL  50  17.484   6.498  -2.953
  400   1HG1  VAL  50          HG11      VAL  50  19.677   8.431  -3.808
  401   2HG1  VAL  50          HG12      VAL  50  17.958   8.844  -3.611
  402   3HG1  VAL  50          HG13      VAL  50  18.901   8.321  -2.215
  403   1HG2  VAL  50          HG21      VAL  50  18.778   6.763  -5.685
  404   2HG2  VAL  50          HG22      VAL  50  17.554   5.578  -5.203
  405   3HG2  VAL  50          HG23      VAL  50  17.139   7.295  -5.252
  406    H    GLU  51           H        GLU  51  21.570   6.951  -2.296
  407    HA   GLU  51           HA       GLU  51  21.156   6.112   0.530
  408   1HB   GLU  51          HB2       GLU  51  22.727   4.589  -0.523
  409   2HB   GLU  51          HB3       GLU  51  23.673   5.934  -1.182
  410   1HG   GLU  51          HG2       GLU  51  24.340   6.662   1.021
  411   2HG   GLU  51          HG3       GLU  51  23.226   5.526   1.805
  412    H    PHE  52           H        PHE  52  21.705   7.575   2.011
  413    HA   PHE  52           HA       PHE  52  22.494  10.310   1.176
  414   1HB   PHE  52          HB2       PHE  52  19.944   9.201   2.188
  415   2HB   PHE  52          HB3       PHE  52  20.502  10.601   3.085
  416    HD1  PHE  52           HD1      PHE  52  19.811  12.700   2.355
  417    HD2  PHE  52           HD2      PHE  52  19.979   9.447  -0.463
  418    HE1  PHE  52           HE1      PHE  52  18.897  14.179   0.591
  419    HE2  PHE  52           HE2      PHE  52  19.096  10.924  -2.229
  420    HZ   PHE  52           HZ       PHE  52  18.605  13.309  -1.727
  421    H    THR  53           H        THR  53  22.893  11.652   3.021
  422    HA   THR  53           HA       THR  53  24.846  10.695   4.824
  423    HB   THR  53           HB       THR  53  23.152  13.242   4.774
  424    HG1  THR  53           HG1      THR  53  24.334  13.015   2.912
  425   1HG2  THR  53          HG21      THR  53  25.731  12.663   6.277
  426   2HG2  THR  53          HG22      THR  53  25.050  14.291   6.013
  427   3HG2  THR  53          HG23      THR  53  24.143  13.100   6.955
  428    H    THR  54           H        THR  54  21.428  11.743   5.391
  429    HA   THR  54           HA       THR  54  21.439  10.307   7.978
  430    HB   THR  54           HB       THR  54  20.096  12.592   8.581
  431    HG1  THR  54           HG1      THR  54  21.289  14.335   7.806
  432   1HG2  THR  54          HG21      THR  54  23.108  12.200   8.769
  433   2HG2  THR  54          HG22      THR  54  22.151  13.370   9.709
  434   3HG2  THR  54          HG23      THR  54  21.885  11.633   9.922
  435    H    GLU  55           H        GLU  55  19.533   9.764   8.768
  436    HA   GLU  55           HA       GLU  55  17.659   8.703   6.962
  437   1HB   GLU  55          HB2       GLU  55  17.086   9.283   9.899
  438   2HB   GLU  55          HB3       GLU  55  16.387   8.047   8.861
  439   1HG   GLU  55          HG2       GLU  55  17.822   6.729   9.998
  440   2HG   GLU  55          HG3       GLU  55  18.899   7.187   8.692
  441    H    LEU  56           H        LEU  56  17.508  11.724   8.880
  442    HA   LEU  56           HA       LEU  56  14.787  12.349   8.223
  443   1HB   LEU  56          HB2       LEU  56  17.130  13.905   9.352
  444   2HB   LEU  56          HB3       LEU  56  15.699  14.763   8.798
  445    HG   LEU  56           HG       LEU  56  14.252  13.505  10.315
  446   1HD1  LEU  56          HD11      LEU  56  15.432  11.381  10.576
  447   2HD1  LEU  56          HD12      LEU  56  16.815  12.203  11.340
  448   3HD1  LEU  56          HD13      LEU  56  15.238  12.138  12.153
  449   1HD2  LEU  56          HD21      LEU  56  16.652  14.774  11.705
  450   2HD2  LEU  56          HD22      LEU  56  15.258  15.642  11.026
  451   3HD2  LEU  56          HD23      LEU  56  15.032  14.553  12.402
  452    H    GLN  57           H        GLN  57  17.909  13.194   6.637
  453    HA   GLN  57           HA       GLN  57  16.619  14.963   4.724
  454   1HB   GLN  57          HB2       GLN  57  19.349  13.600   4.615
  455   2HB   GLN  57          HB3       GLN  57  18.757  14.859   3.515
  456   1HG   GLN  57          HG2       GLN  57  18.358  16.287   5.652
  457   2HG   GLN  57          HG3       GLN  57  19.374  15.099   6.478
  458   1HE2  GLN  57          HE22      GLN  57  21.645  14.879   5.748
  459   2HE2  GLN  57          HE21      GLN  57  22.396  16.189   4.833
  460    H    SER  58           H        SER  58  17.610  11.528   4.744
  461    HA   SER  58           HA       SER  58  16.791  10.786   2.156
  462   1HB   SER  58          HB2       SER  58  16.371   9.135   4.686
  463   2HB   SER  58          HB3       SER  58  16.591   8.548   3.038
  464    HG   SER  58           HG       SER  58  18.496   9.918   4.670
  465    H    ASN  59           H        ASN  59  14.845  10.946   5.194
  466    HA   ASN  59           HA       ASN  59  12.375  10.216   4.053
  467   1HB   ASN  59          HB2       ASN  59  12.653  10.248   6.454
  468   2HB   ASN  59          HB3       ASN  59  13.050  11.959   6.449
  469   1HD2  ASN  59          HD22      ASN  59  11.380  13.228   7.168
  470   2HD2  ASN  59          HD21      ASN  59   9.690  12.889   6.914
  471    H    ALA  60           H        ALA  60  13.755  13.503   4.495
  472    HA   ALA  60           HA       ALA  60  11.526  14.848   3.374
  473   1HB   ALA  60          HB1       ALA  60  14.451  15.696   3.353
  474   2HB   ALA  60          HB2       ALA  60  13.045  16.750   3.082
  475   3HB   ALA  60          HB3       ALA  60  13.280  15.984   4.666
  476    H    ALA  61           H        ALA  61  14.457  13.582   1.765
  477    HA   ALA  61           HA       ALA  61  13.788  14.510  -0.857
  478   1HB   ALA  61          HB1       ALA  61  15.429  12.877  -1.621
  479   2HB   ALA  61          HB2       ALA  61  16.060  13.752  -0.210
  480   3HB   ALA  61          HB3       ALA  61  15.456  12.087  -0.032
  481    H    LYS  62           H        LYS  62  13.105  11.421   0.834
  482    HA   LYS  62           HA       LYS  62  11.739  10.096  -1.267
  483   1HB   LYS  62          HB2       LYS  62  12.559   8.921   0.619
  484   2HB   LYS  62          HB3       LYS  62  11.702   9.918   1.768
  485   1HG   LYS  62          HG2       LYS  62  10.283   8.018  -0.130
  486   2HG   LYS  62          HG3       LYS  62  10.893   7.568   1.466
  487   1HD   LYS  62          HD2       LYS  62   9.471   9.552   2.380
  488   2HD   LYS  62          HD3       LYS  62   8.658   9.495   0.801
  489   1HE   LYS  62          HE2       LYS  62   8.346   6.970   1.256
  490   2HE   LYS  62          HE3       LYS  62   8.805   7.330   2.922
  491   1HZ   LYS  62          HZ1       LYS  62   6.422   7.378   2.566
  492   2HZ   LYS  62          HZ2       LYS  62   6.927   8.956   2.944
  493   3HZ   LYS  62          HZ3       LYS  62   6.556   8.520   1.423
  494    H    GLU  63           H        GLU  63  10.420  12.202   1.378
  495    HA   GLU  63           HA       GLU  63   7.730  12.063   0.497
  496   1HB   GLU  63          HB2       GLU  63   9.261  14.221   2.008
  497   2HB   GLU  63          HB3       GLU  63   7.523  14.279   1.758
  498   1HG   GLU  63          HG2       GLU  63   8.960  12.017   3.209
  499   2HG   GLU  63          HG3       GLU  63   8.246  13.411   3.999
  500    H    ALA  64           H        ALA  64  10.380  14.243  -0.449
  501    HA   ALA  64           HA       ALA  64   8.819  16.020  -2.024
  502   1HB   ALA  64          HB1       ALA  64  11.776  15.313  -2.230
  503   2HB   ALA  64          HB2       ALA  64  10.994  16.745  -2.926
  504   3HB   ALA  64          HB3       ALA  64  11.072  16.551  -1.162
  505    H    LEU  65           H        LEU  65  10.646  13.036  -2.951
  506    HA   LEU  65           HA       LEU  65   9.755  13.471  -5.757
  507   1HB   LEU  65          HB2       LEU  65  12.035  11.831  -4.616
  508   2HB   LEU  65          HB3       LEU  65  11.587  11.878  -6.317
  509    HG   LEU  65           HG       LEU  65  12.610  14.227  -4.684
  510   1HD1  LEU  65          HD11      LEU  65  14.331  12.592  -5.297
  511   2HD1  LEU  65          HD12      LEU  65  13.820  12.641  -6.993
  512   3HD1  LEU  65          HD13      LEU  65  14.545  14.076  -6.236
  513   1HD2  LEU  65          HD21      LEU  65  11.039  15.119  -6.339
  514   2HD2  LEU  65          HD22      LEU  65  12.686  15.451  -6.863
  515   3HD2  LEU  65          HD23      LEU  65  11.777  14.125  -7.619
  516    H    GLN  66           H        GLN  66   8.677  11.501  -3.189
  517    HA   GLN  66           HA       GLN  66   7.986   9.188  -4.695
  518   1HB   GLN  66          HB2       GLN  66   6.760  10.582  -2.315
  519   2HB   GLN  66          HB3       GLN  66   5.757   9.429  -3.204
  520   1HG   GLN  66          HG2       GLN  66   7.524   7.698  -2.992
  521   2HG   GLN  66          HG3       GLN  66   8.464   8.800  -1.985
  522   1HE2  GLN  66          HE22      GLN  66   7.230   6.096  -1.321
  523   2HE2  GLN  66          HE21      GLN  66   6.287   6.411   0.116
  524    H    GLY  67           H        GLY  67   6.757   8.868  -6.383
  525   1HA   GLY  67          HA2       GLY  67   5.055   9.060  -7.895
  526   2HA   GLY  67          HA3       GLY  67   4.408  10.459  -7.032
  527    H    PHE  68           H        PHE  68   7.759  10.988  -7.718
  528    HA   PHE  68           HA       PHE  68   7.115  13.140  -9.509
  529   1HB   PHE  68          HB2       PHE  68   8.997  13.208  -7.930
  530   2HB   PHE  68          HB3       PHE  68   9.752  11.826  -8.719
  531    HD1  PHE  68           HD1      PHE  68   8.937  15.437  -9.042
  532    HD2  PHE  68           HD2      PHE  68  11.001  12.072 -10.788
  533    HE1  PHE  68           HE1      PHE  68  10.181  16.974 -10.543
  534    HE2  PHE  68           HE2      PHE  68  12.233  13.615 -12.290
  535    HZ   PHE  68           HZ       PHE  68  11.833  16.065 -12.167
  536    H    LYS  69           H        LYS  69   6.809  13.007 -11.680
  537    HA   LYS  69           HA       LYS  69   7.295  10.580 -13.214
  538   1HB   LYS  69          HB2       LYS  69   6.318  13.348 -13.845
  539   2HB   LYS  69          HB3       LYS  69   7.229  12.540 -15.119
  540   1HG   LYS  69          HG2       LYS  69   4.967  12.038 -15.515
  541   2HG   LYS  69          HG3       LYS  69   5.778  10.573 -14.987
  542   1HD   LYS  69          HD2       LYS  69   4.866  11.000 -12.646
  543   2HD   LYS  69          HD3       LYS  69   3.861  12.275 -13.342
  544   1HE   LYS  69          HE2       LYS  69   3.922   9.361 -14.273
  545   2HE   LYS  69          HE3       LYS  69   2.769   9.994 -13.084
  546   1HZ   LYS  69          HZ1       LYS  69   2.017  11.566 -14.859
  547   2HZ   LYS  69          HZ2       LYS  69   2.928  10.718 -15.947
  548   3HZ   LYS  69          HZ3       LYS  69   1.699   9.999 -15.167
  549    H    ILE  70           H        ILE  70   9.286   9.832 -13.392
  550    HA   ILE  70           HA       ILE  70  11.650  11.574 -13.685
  551    HB   ILE  70           HB       ILE  70  11.284   8.607 -14.184
  552   1HG1  ILE  70          HG12      ILE  70  12.627   9.937 -11.794
  553   2HG1  ILE  70          HG13      ILE  70  10.928   9.480 -11.767
  554   1HG2  ILE  70          HG21      ILE  70  13.210   9.633 -15.395
  555   2HG2  ILE  70          HG22      ILE  70  13.778  10.354 -13.882
  556   3HG2  ILE  70          HG23      ILE  70  13.790   8.592 -14.086
  557   1HD1  ILE  70          HD11      ILE  70  11.447   7.148 -12.159
  558   2HD1  ILE  70          HD12      ILE  70  13.190   7.517 -12.262
  559   3HD1  ILE  70          HD13      ILE  70  12.315   7.750 -10.746
  560    H    THR  71           H        THR  71   9.482   9.484 -15.728
  561    HA   THR  71           HA       THR  71   9.738  11.436 -17.905
  562    HB   THR  71           HB       THR  71   9.585   9.530 -19.528
  563    HG1  THR  71           HG1      THR  71  10.051   7.480 -18.854
  564   1HG2  THR  71          HG21      THR  71  11.798  10.599 -19.075
  565   2HG2  THR  71          HG22      THR  71  12.113   9.376 -17.823
  566   3HG2  THR  71          HG23      THR  71  11.943   8.891 -19.522
  567    HA   PRO  72           HA       PRO  72   5.561  11.890 -17.772
  568   1HB   PRO  72          HB2       PRO  72   5.146  10.555 -20.457
  569   2HB   PRO  72          HB3       PRO  72   4.408  12.065 -19.830
  570   1HG   PRO  72          HG2       PRO  72   6.559  12.218 -21.451
  571   2HG   PRO  72          HG3       PRO  72   6.504  13.228 -19.968
  572   1HD   PRO  72          HD2       PRO  72   7.977  10.640 -20.436
  573   2HD   PRO  72          HD3       PRO  72   8.525  12.116 -19.586
  574    H    THR  73           H        THR  73   6.327   8.492 -18.375
  575    HA   THR  73           HA       THR  73   3.717   7.681 -17.226
  576    HB   THR  73           HB       THR  73   4.179   5.577 -18.649
  577    HG1  THR  73           HG1      THR  73   5.660   5.804 -20.285
  578   1HG2  THR  73          HG21      THR  73   2.520   7.315 -19.304
  579   2HG2  THR  73          HG22      THR  73   3.794   8.197 -20.173
  580   3HG2  THR  73          HG23      THR  73   3.308   6.572 -20.703
  581    H    HIS  74           H        HIS  74   6.648   8.187 -16.087
  582    HA   HIS  74           HA       HIS  74   6.735   5.664 -14.501
  583   1HB   HIS  74          HB2       HIS  74   9.015   7.072 -15.905
  584   2HB   HIS  74          HB3       HIS  74   9.233   5.975 -14.540
  585    HD1  HIS  74           HD1      HIS  74   8.675   3.403 -14.891
  586    HD2  HIS  74           HD2      HIS  74   8.302   5.874 -18.278
  587    HE1  HIS  74           HE1      HIS  74   8.496   1.837 -16.907
  588    H    ALA  75           H        ALA  75   5.394   6.933 -13.141
  589    HA   ALA  75           HA       ALA  75   6.500   9.118 -11.572
  590   1HB   ALA  75          HB1       ALA  75   4.059   8.745 -11.696
  591   2HB   ALA  75          HB2       ALA  75   4.252   7.128 -10.983
  592   3HB   ALA  75          HB3       ALA  75   4.634   8.577 -10.036
  593    H    MET  76           H        MET  76   8.341   8.746 -10.491
  594    HA   MET  76           HA       MET  76   9.578   6.420  -9.688
  595   1HB   MET  76          HB2       MET  76  10.447   8.781  -9.720
  596   2HB   MET  76          HB3       MET  76   9.512   9.134  -8.277
  597   1HG   MET  76          HG2       MET  76  10.773   7.320  -7.092
  598   2HG   MET  76          HG3       MET  76  11.785   7.131  -8.526
  599   1HE   MET  76          HE1       MET  76  13.623  10.696  -8.568
  600   2HE   MET  76          HE2       MET  76  13.452   9.150  -9.421
  601   3HE   MET  76          HE3       MET  76  12.111  10.323  -9.416
  602    H    LYS  77           H        LYS  77   8.852   4.772  -8.321
  603    HA   LYS  77           HA       LYS  77   7.149   5.538  -5.998
  604   1HB   LYS  77          HB2       LYS  77   6.350   3.648  -7.367
  605   2HB   LYS  77          HB3       LYS  77   7.880   2.793  -7.118
  606   1HG   LYS  77          HG2       LYS  77   7.465   2.636  -4.718
  607   2HG   LYS  77          HG3       LYS  77   6.094   3.742  -4.841
  608   1HD   LYS  77          HD2       LYS  77   5.232   1.542  -4.532
  609   2HD   LYS  77          HD3       LYS  77   4.848   2.056  -6.180
  610   1HE   LYS  77          HE2       LYS  77   6.755   0.708  -7.038
  611   2HE   LYS  77          HE3       LYS  77   7.171   0.236  -5.386
  612   1HZ   LYS  77          HZ1       LYS  77   5.015  -0.882  -5.237
  613   2HZ   LYS  77          HZ2       LYS  77   4.639  -0.456  -6.770
  614   3HZ   LYS  77          HZ3       LYS  77   5.876  -1.478  -6.483
  615    H    ILE  78           H        ILE  78   8.071   5.387  -3.937
  616    HA   ILE  78           HA       ILE  78  10.916   4.578  -3.713
  617    HB   ILE  78           HB       ILE  78   9.787   7.030  -2.332
  618   1HG1  ILE  78          HG12      ILE  78  11.422   7.089  -4.897
  619   2HG1  ILE  78          HG13      ILE  78   9.741   7.581  -4.726
  620   1HG2  ILE  78          HG21      ILE  78  12.673   6.201  -2.775
  621   2HG2  ILE  78          HG22      ILE  78  12.109   7.561  -1.792
  622   3HG2  ILE  78          HG23      ILE  78  11.763   5.933  -1.276
  623   1HD1  ILE  78          HD11      ILE  78  12.145   8.964  -3.492
  624   2HD1  ILE  78          HD12      ILE  78  11.080   9.549  -4.768
  625   3HD1  ILE  78          HD13      ILE  78  10.455   9.360  -3.122
  626    H    THR  79           H        THR  79  11.324   3.618  -1.760
  627    HA   THR  79           HA       THR  79   9.390   3.660   0.452
  628    HB   THR  79           HB       THR  79  10.134   1.065   0.572
  629    HG1  THR  79           HG1      THR  79  11.114   1.502  -1.677
  630   1HG2  THR  79          HG21      THR  79   7.829   2.003  -1.185
  631   2HG2  THR  79          HG22      THR  79   7.981   0.425  -0.379
  632   3HG2  THR  79          HG23      THR  79   7.796   1.896   0.589
  633    H    PHE  80           H        PHE  80  10.604   3.018   2.490
  634    HA   PHE  80           HA       PHE  80  13.398   3.912   2.377
  635   1HB   PHE  80          HB2       PHE  80  11.655   2.788   4.584
  636   2HB   PHE  80          HB3       PHE  80  13.365   3.153   4.798
  637    HD1  PHE  80           HD1      PHE  80  10.013   4.579   4.611
  638    HD2  PHE  80           HD2      PHE  80  14.220   5.517   4.442
  639    HE1  PHE  80           HE1      PHE  80   9.503   6.956   5.086
  640    HE2  PHE  80           HE2      PHE  80  13.700   7.910   4.850
  641    HZ   PHE  80           HZ       PHE  80  11.330   8.616   5.196
  642    H    ALA  81           H        ALA  81  15.175   2.623   2.322
  643    HA   ALA  81           HA       ALA  81  14.810  -0.288   1.816
  644   1HB   ALA  81          HB1       ALA  81  16.515   0.888   0.471
  645   2HB   ALA  81          HB2       ALA  81  17.323   1.425   1.961
  646   3HB   ALA  81          HB3       ALA  81  17.273  -0.294   1.542
  647    H    LYS  82           H        LYS  82  16.448  -1.647   3.248
  648    HA   LYS  82           HA       LYS  82  16.101  -0.832   6.111
  649   1HB   LYS  82          HB2       LYS  82  15.593  -3.533   4.805
  650   2HB   LYS  82          HB3       LYS  82  15.547  -3.229   6.543
  651   1HG   LYS  82          HG2       LYS  82  13.610  -1.774   6.338
  652   2HG   LYS  82          HG3       LYS  82  13.703  -1.782   4.576
  653   1HD   LYS  82          HD2       LYS  82  13.351  -4.242   4.542
  654   2HD   LYS  82          HD3       LYS  82  13.133  -4.227   6.304
  655   1HE   LYS  82          HE2       LYS  82  11.151  -2.853   6.115
  656   2HE   LYS  82          HE3       LYS  82  11.452  -2.547   4.395
  657   1HZ   LYS  82          HZ1       LYS  82   9.750  -4.227   4.712
  658   2HZ   LYS  82          HZ2       LYS  82  11.008  -4.850   3.922
  659   3HZ   LYS  82          HZ3       LYS  82  10.792  -5.209   5.522
  660    H    LYS  83           H        LYS  83  17.546  -2.308   7.537
  661    HA   LYS  83           HA       LYS  83  20.112  -2.987   6.231
  662   1HB   LYS  83          HB2       LYS  83  19.902  -1.318   8.771
  663   2HB   LYS  83          HB3       LYS  83  21.374  -1.871   7.971
  664   1HG   LYS  83          HG2       LYS  83  20.676  -0.493   5.939
  665   2HG   LYS  83          HG3       LYS  83  19.387   0.192   6.930
  666   1HD   LYS  83          HD2       LYS  83  22.386   0.439   7.337
  667   2HD   LYS  83          HD3       LYS  83  21.273   1.718   6.878
  668   1HE   LYS  83          HE2       LYS  83  21.424   0.315   9.587
  669   2HE   LYS  83          HE3       LYS  83  21.988   1.939   9.204
  670   1HZ   LYS  83          HZ1       LYS  83  19.624   2.493   8.670
  671   2HZ   LYS  83          HZ2       LYS  83  19.173   1.042   9.271
  672   3HZ   LYS  83          HZ3       LYS  83  19.891   2.130  10.247
  Start of MODEL   11
    1   1H    ALA   1          H1        ALA   1   8.035  -7.445  -2.154
    2   2H    ALA   1          H2        ALA   1   7.968  -8.284  -3.565
    3   3H    ALA   1          H3        ALA   1   9.350  -7.525  -3.121
    4    HA   ALA   1           HA       ALA   1   8.304  -6.293  -4.837
    5   1HB   ALA   1          HB1       ALA   1   5.995  -6.988  -4.513
    6   2HB   ALA   1          HB2       ALA   1   5.908  -6.145  -2.953
    7   3HB   ALA   1          HB3       ALA   1   6.107  -5.223  -4.459
    8    H    GLN   2           H        GLN   2   7.085  -4.872  -1.750
    9    HA   GLN   2           HA       GLN   2   9.513  -3.240  -1.433
   10   1HB   GLN   2          HB2       GLN   2   6.692  -2.140  -1.879
   11   2HB   GLN   2          HB3       GLN   2   7.984  -1.224  -1.111
   12   1HG   GLN   2          HG2       GLN   2   9.345  -1.326  -3.151
   13   2HG   GLN   2          HG3       GLN   2   8.090  -2.274  -3.963
   14   1HE2  GLN   2          HE22      GLN   2   8.922   0.973  -2.703
   15   2HE2  GLN   2          HE21      GLN   2   7.622   1.783  -3.552
   16    H    THR   3           H        THR   3   9.439  -2.166   0.720
   17    HA   THR   3           HA       THR   3   7.387  -2.943   2.622
   18    HB   THR   3           HB       THR   3   9.358  -3.492   4.292
   19    HG1  THR   3           HG1      THR   3  10.490  -4.029   1.768
   20   1HG2  THR   3          HG21      THR   3   9.102  -5.864   3.947
   21   2HG2  THR   3          HG22      THR   3   7.544  -5.081   3.653
   22   3HG2  THR   3          HG23      THR   3   8.536  -5.622   2.281
   23    H    GLU   4           H        GLU   4   8.016  -1.701   4.795
   24    HA   GLU   4           HA       GLU   4   9.270   0.910   4.188
   25   1HB   GLU   4          HB2       GLU   4   6.404   0.354   5.034
   26   2HB   GLU   4          HB3       GLU   4   7.189   1.848   5.529
   27   1HG   GLU   4          HG2       GLU   4   7.084   1.034   2.605
   28   2HG   GLU   4          HG3       GLU   4   5.763   1.873   3.400
   29    H    GLN   5           H        GLN   5   9.386   2.175   6.282
   30    HA   GLN   5           HA       GLN   5   9.854   0.647   8.742
   31   1HB   GLN   5          HB2       GLN   5  12.006   2.009   7.035
   32   2HB   GLN   5          HB3       GLN   5  12.264   1.589   8.715
   33   1HG   GLN   5          HG2       GLN   5  11.757  -0.425   6.501
   34   2HG   GLN   5          HG3       GLN   5  13.313   0.047   7.161
   35   1HE2  GLN   5          HE22      GLN   5  10.294  -1.687   7.891
   36   2HE2  GLN   5          HE21      GLN   5  10.916  -2.548   9.291
   37    HA   PRO   6           HA       PRO   6   9.751   5.152  10.092
   38   1HB   PRO   6          HB2       PRO   6  11.826   5.204  11.910
   39   2HB   PRO   6          HB3       PRO   6  10.177   4.632  12.305
   40   1HG   PRO   6          HG2       PRO   6  12.592   2.972  11.520
   41   2HG   PRO   6          HG3       PRO   6  11.475   2.715  12.899
   42   1HD   PRO   6          HD2       PRO   6  11.180   1.342  10.586
   43   2HD   PRO   6          HD3       PRO   6   9.755   1.934  11.472
   44    HA   PRO   7           HA       PRO   7  12.668   6.877   7.333
   45   1HB   PRO   7          HB2       PRO   7  13.887   8.486   9.588
   46   2HB   PRO   7          HB3       PRO   7  13.478   9.015   7.924
   47   1HG   PRO   7          HG2       PRO   7  11.775   9.548   9.962
   48   2HG   PRO   7          HG3       PRO   7  11.133   8.947   8.399
   49   1HD   PRO   7          HD2       PRO   7  11.592   7.411  10.959
   50   2HD   PRO   7          HD3       PRO   7  10.230   7.309   9.803
   51    H    ASN   8           H        ASN   8  14.586   6.336   6.385
   52    HA   ASN   8           HA       ASN   8  16.734   5.119   8.030
   53   1HB   ASN   8          HB2       ASN   8  15.268   3.228   7.239
   54   2HB   ASN   8          HB3       ASN   8  15.467   3.793   5.581
   55   1HD2  ASN   8          HD22      ASN   8  17.191   2.931   4.433
   56   2HD2  ASN   8          HD21      ASN   8  18.548   2.108   5.193
   57    H    GLN   9           H        GLN   9  18.703   5.447   7.202
   58    HA   GLN   9           HA       GLN   9  19.408   7.654   5.742
   59   1HB   GLN   9          HB2       GLN   9  20.699   6.291   7.424
   60   2HB   GLN   9          HB3       GLN   9  20.929   5.044   6.193
   61   1HG   GLN   9          HG2       GLN   9  22.194   6.619   4.819
   62   2HG   GLN   9          HG3       GLN   9  21.861   7.913   6.000
   63   1HE2  GLN   9          HE22      GLN   9  23.905   8.351   6.817
   64   2HE2  GLN   9          HE21      GLN   9  24.978   7.135   7.493
   65    H    ILE  10           H        ILE  10  18.530   4.593   4.440
   66    HA   ILE  10           HA       ILE  10  19.496   5.269   1.712
   67    HB   ILE  10           HB       ILE  10  19.769   2.658   3.253
   68   1HG1  ILE  10          HG12      ILE  10  21.851   4.441   1.954
   69   2HG1  ILE  10          HG13      ILE  10  21.533   4.321   3.682
   70   1HG2  ILE  10          HG21      ILE  10  20.629   1.588   1.227
   71   2HG2  ILE  10          HG22      ILE  10  19.035   2.208   0.857
   72   3HG2  ILE  10          HG23      ILE  10  20.466   3.097   0.306
   73   1HD1  ILE  10          HD11      ILE  10  22.718   2.158   1.924
   74   2HD1  ILE  10          HD12      ILE  10  23.481   3.045   3.249
   75   3HD1  ILE  10          HD13      ILE  10  22.176   1.897   3.601
   76    H    LEU  11           H        LEU  11  18.118   4.589   0.082
   77    HA   LEU  11           HA       LEU  11  15.294   4.023   0.900
   78   1HB   LEU  11          HB2       LEU  11  16.349   5.812  -1.327
   79   2HB   LEU  11          HB3       LEU  11  14.656   5.533  -0.940
   80    HG   LEU  11           HG       LEU  11  16.654   6.944   0.892
   81   1HD1  LEU  11          HD11      LEU  11  15.475   9.005   0.293
   82   2HD1  LEU  11          HD12      LEU  11  16.196   8.251  -1.136
   83   3HD1  LEU  11          HD13      LEU  11  14.450   8.112  -0.848
   84   1HD2  LEU  11          HD21      LEU  11  14.903   5.899   2.192
   85   2HD2  LEU  11          HD22      LEU  11  14.587   7.636   2.130
   86   3HD2  LEU  11          HD23      LEU  11  13.638   6.531   1.111
   87    H    PHE  12           H        PHE  12  14.109   2.787  -0.619
   88    HA   PHE  12           HA       PHE  12  15.632   1.449  -2.812
   89   1HB   PHE  12          HB2       PHE  12  15.093  -0.219  -1.094
   90   2HB   PHE  12          HB3       PHE  12  13.423   0.347  -1.022
   91    HD1  PHE  12           HD1      PHE  12  15.887  -0.848  -3.632
   92    HD2  PHE  12           HD2      PHE  12  11.799  -0.846  -2.268
   93    HE1  PHE  12           HE1      PHE  12  15.302  -2.469  -5.406
   94    HE2  PHE  12           HE2      PHE  12  11.230  -2.515  -4.014
   95    HZ   PHE  12           HZ       PHE  12  12.967  -3.321  -5.593
   96    H    LEU  13           H        LEU  13  14.582   1.571  -4.784
   97    HA   LEU  13           HA       LEU  13  12.092   3.200  -4.875
   98   1HB   LEU  13          HB2       LEU  13  14.717   3.557  -6.376
   99   2HB   LEU  13          HB3       LEU  13  13.177   4.144  -6.985
  100    HG   LEU  13           HG       LEU  13  12.865   5.529  -4.955
  101   1HD1  LEU  13          HD11      LEU  13  15.078   6.129  -3.741
  102   2HD1  LEU  13          HD12      LEU  13  14.228   4.677  -3.242
  103   3HD1  LEU  13          HD13      LEU  13  15.655   4.535  -4.290
  104   1HD2  LEU  13          HD21      LEU  13  13.725   6.424  -7.081
  105   2HD2  LEU  13          HD22      LEU  13  14.448   7.251  -5.708
  106   3HD2  LEU  13          HD23      LEU  13  15.387   6.025  -6.584
  107    H    THR  14           H        THR  14  10.828   2.883  -6.687
  108    HA   THR  14           HA       THR  14  11.393   0.627  -8.511
  109    HB   THR  14           HB       THR  14   9.080  -0.274  -8.007
  110    HG1  THR  14           HG1      THR  14   9.342   1.179  -5.593
  111   1HG2  THR  14          HG21      THR  14  10.924  -0.397  -5.590
  112   2HG2  THR  14          HG22      THR  14   9.671  -1.565  -6.059
  113   3HG2  THR  14          HG23      THR  14  11.126  -1.380  -7.047
  114    H    ASN  15           H        ASN  15   9.475   0.449 -10.099
  115    HA   ASN  15           HA       ASN  15   8.437   1.246 -11.868
  116   1HB   ASN  15          HB2       ASN  15   6.743   1.781 -10.094
  117   2HB   ASN  15          HB3       ASN  15   7.346   3.442 -10.089
  118   1HD2  ASN  15          HD22      ASN  15   5.917   4.727 -11.234
  119   2HD2  ASN  15          HD21      ASN  15   5.017   4.206 -12.657
  120    H    LEU  16           H        LEU  16  11.132   2.140 -11.498
  121    HA   LEU  16           HA       LEU  16  11.373   4.877 -12.472
  122   1HB   LEU  16          HB2       LEU  16  13.413   2.638 -12.628
  123   2HB   LEU  16          HB3       LEU  16  13.721   4.360 -12.703
  124    HG   LEU  16           HG       LEU  16  12.738   2.859 -10.231
  125   1HD1  LEU  16          HD11      LEU  16  14.956   3.183  -9.378
  126   2HD1  LEU  16          HD12      LEU  16  15.044   2.295 -10.912
  127   3HD1  LEU  16          HD13      LEU  16  15.473   4.009 -10.869
  128   1HD2  LEU  16          HD21      LEU  16  13.665   5.738 -10.555
  129   2HD2  LEU  16          HD22      LEU  16  11.989   5.215 -10.223
  130   3HD2  LEU  16          HD23      LEU  16  13.258   4.948  -9.029
  131    HA   PRO  17           HA       PRO  17  10.921   4.070 -16.925
  132   1HB   PRO  17          HB2       PRO  17  13.594   5.414 -17.187
  133   2HB   PRO  17          HB3       PRO  17  12.091   5.679 -18.118
  134   1HG   PRO  17          HG2       PRO  17  12.895   7.364 -16.139
  135   2HG   PRO  17          HG3       PRO  17  11.165   6.997 -16.406
  136   1HD   PRO  17          HD2       PRO  17  12.958   6.015 -14.230
  137   2HD   PRO  17          HD3       PRO  17  11.204   6.300 -14.221
  138    H    GLU  18           H        GLU  18  11.684   2.390 -18.328
  139    HA   GLU  18           HA       GLU  18  13.735   0.584 -17.433
  140   1HB   GLU  18          HB2       GLU  18  13.398  -0.518 -19.594
  141   2HB   GLU  18          HB3       GLU  18  11.863  -0.155 -18.808
  142   1HG   GLU  18          HG2       GLU  18  11.592   1.854 -20.269
  143   2HG   GLU  18          HG3       GLU  18  13.114   1.462 -21.072
  144    H    GLU  19           H        GLU  19  14.026   3.647 -18.818
  145    HA   GLU  19           HA       GLU  19  16.560   3.090 -20.093
  146   1HB   GLU  19          HB2       GLU  19  14.838   5.602 -19.906
  147   2HB   GLU  19          HB3       GLU  19  16.331   5.511 -20.833
  148   1HG   GLU  19          HG2       GLU  19  13.856   3.813 -21.378
  149   2HG   GLU  19          HG3       GLU  19  14.263   5.305 -22.201
  150    H    THR  20           H        THR  20  15.748   3.564 -16.923
  151    HA   THR  20           HA       THR  20  17.149   5.936 -16.207
  152    HB   THR  20           HB       THR  20  16.446   3.543 -14.448
  153    HG1  THR  20           HG1      THR  20  14.583   4.122 -15.299
  154   1HG2  THR  20          HG21      THR  20  16.787   6.520 -13.837
  155   2HG2  THR  20          HG22      THR  20  16.175   5.304 -12.699
  156   3HG2  THR  20          HG23      THR  20  17.848   5.203 -13.275
  157    H    ASN  21           H        ASN  21  19.140   6.237 -15.285
  158    HA   ASN  21           HA       ASN  21  20.937   3.992 -14.841
  159   1HB   ASN  21          HB2       ASN  21  21.588   4.695 -17.092
  160   2HB   ASN  21          HB3       ASN  21  21.612   6.384 -16.603
  161   1HD2  ASN  21          HD22      ASN  21  23.776   6.929 -16.869
  162   2HD2  ASN  21          HD21      ASN  21  25.081   6.096 -16.065
  163    H    GLU  22           H        GLU  22  22.788   4.889 -13.421
  164    HA   GLU  22           HA       GLU  22  21.694   6.097 -11.125
  165   1HB   GLU  22          HB2       GLU  22  24.617   5.907 -11.989
  166   2HB   GLU  22          HB3       GLU  22  24.047   6.223 -10.334
  167   1HG   GLU  22          HG2       GLU  22  22.847   4.074 -10.334
  168   2HG   GLU  22          HG3       GLU  22  23.431   3.743 -11.978
  169    H    MET  23           H        MET  23  23.243   7.570 -13.863
  170    HA   MET  23           HA       MET  23  23.852  10.114 -12.758
  171   1HB   MET  23          HB2       MET  23  23.095   9.337 -15.605
  172   2HB   MET  23          HB3       MET  23  23.701  10.932 -15.140
  173   1HG   MET  23          HG2       MET  23  25.786   9.957 -14.315
  174   2HG   MET  23          HG3       MET  23  25.214   8.331 -14.692
  175   1HE   MET  23          HE1       MET  23  27.474   7.853 -15.977
  176   2HE   MET  23          HE2       MET  23  28.107   8.884 -17.277
  177   3HE   MET  23          HE3       MET  23  28.032   9.502 -15.613
  178    H    MET  24           H        MET  24  20.780   8.897 -14.104
  179    HA   MET  24           HA       MET  24  19.453  11.431 -14.252
  180   1HB   MET  24          HB2       MET  24  18.347   8.587 -13.959
  181   2HB   MET  24          HB3       MET  24  17.354  10.022 -14.190
  182   1HG   MET  24          HG2       MET  24  17.568   8.957 -16.269
  183   2HG   MET  24          HG3       MET  24  18.485  10.464 -16.345
  184   1HE   MET  24          HE1       MET  24  19.401   9.480 -18.691
  185   2HE   MET  24          HE2       MET  24  20.268   7.934 -18.827
  186   3HE   MET  24          HE3       MET  24  18.537   7.947 -18.426
  187    H    LEU  25           H        LEU  25  19.373   8.826 -11.814
  188    HA   LEU  25           HA       LEU  25  17.655  10.359 -10.058
  189   1HB   LEU  25          HB2       LEU  25  19.405   7.942  -9.475
  190   2HB   LEU  25          HB3       LEU  25  18.208   8.616  -8.371
  191    HG   LEU  25           HG       LEU  25  17.718   7.223 -11.030
  192   1HD1  LEU  25          HD11      LEU  25  16.396   5.691  -9.561
  193   2HD1  LEU  25          HD12      LEU  25  18.109   5.753  -9.124
  194   3HD1  LEU  25          HD13      LEU  25  16.918   6.636  -8.150
  195   1HD2  LEU  25          HD21      LEU  25  16.129   9.018 -11.047
  196   2HD2  LEU  25          HD22      LEU  25  15.258   7.584 -10.512
  197   3HD2  LEU  25          HD23      LEU  25  15.764   8.804  -9.314
  198    H    SER  26           H        SER  26  21.206  10.031 -10.417
  199    HA   SER  26           HA       SER  26  21.840  11.232  -7.894
  200   1HB   SER  26          HB2       SER  26  23.429  11.259 -10.501
  201   2HB   SER  26          HB3       SER  26  24.049  11.692  -8.897
  202    HG   SER  26           HG       SER  26  23.102   9.184  -9.816
  203    H    MET  27           H        MET  27  21.365  12.583 -11.198
  204    HA   MET  27           HA       MET  27  21.712  15.297 -10.556
  205   1HB   MET  27          HB2       MET  27  21.637  14.485 -12.810
  206   2HB   MET  27          HB3       MET  27  19.998  13.860 -12.637
  207   1HG   MET  27          HG2       MET  27  20.581  16.769 -12.208
  208   2HG   MET  27          HG3       MET  27  20.426  16.101 -13.841
  209   1HE   MET  27          HE1       MET  27  18.688  18.540 -12.621
  210   2HE   MET  27          HE2       MET  27  18.571  17.974 -14.304
  211   3HE   MET  27          HE3       MET  27  17.100  18.157 -13.322
  212    H    LEU  28           H        LEU  28  18.721  13.280 -10.436
  213    HA   LEU  28           HA       LEU  28  17.063  15.442  -9.617
  214   1HB   LEU  28          HB2       LEU  28  16.725  12.436  -9.311
  215   2HB   LEU  28          HB3       LEU  28  15.482  13.589  -8.839
  216    HG   LEU  28           HG       LEU  28  16.599  13.371 -11.660
  217   1HD1  LEU  28          HD11      LEU  28  14.491  12.245 -12.220
  218   2HD1  LEU  28          HD12      LEU  28  15.366  11.332 -10.986
  219   3HD1  LEU  28          HD13      LEU  28  13.969  12.331 -10.522
  220   1HD2  LEU  28          HD21      LEU  28  15.679  15.607 -11.244
  221   2HD2  LEU  28          HD22      LEU  28  14.584  14.699 -12.276
  222   3HD2  LEU  28          HD23      LEU  28  14.204  14.899 -10.550
  223    H    PHE  29           H        PHE  29  18.566  12.878  -7.600
  224    HA   PHE  29           HA       PHE  29  17.358  14.047  -5.222
  225   1HB   PHE  29          HB2       PHE  29  19.257  11.729  -5.689
  226   2HB   PHE  29          HB3       PHE  29  18.855  12.332  -4.088
  227    HD1  PHE  29           HD1      PHE  29  16.899  11.792  -2.944
  228    HD2  PHE  29           HD2      PHE  29  17.261  10.803  -7.121
  229    HE1  PHE  29           HE1      PHE  29  14.835  10.427  -2.799
  230    HE2  PHE  29           HE2      PHE  29  15.219   9.425  -6.967
  231    HZ   PHE  29           HZ       PHE  29  13.988   9.256  -4.822
  232    H    ASN  30           H        ASN  30  20.580  14.401  -6.764
  233    HA   ASN  30           HA       ASN  30  21.916  15.338  -4.466
  234   1HB   ASN  30          HB2       ASN  30  23.091  14.634  -6.436
  235   2HB   ASN  30          HB3       ASN  30  22.439  15.998  -7.365
  236   1HD2  ASN  30          HD22      ASN  30  23.991  17.604  -7.619
  237   2HD2  ASN  30          HD21      ASN  30  25.201  18.010  -6.432
  238    H    GLN  31           H        GLN  31  19.349  16.866  -6.146
  239    HA   GLN  31           HA       GLN  31  19.908  19.610  -5.752
  240   1HB   GLN  31          HB2       GLN  31  17.280  18.069  -5.668
  241   2HB   GLN  31          HB3       GLN  31  17.407  19.831  -5.690
  242   1HG   GLN  31          HG2       GLN  31  18.580  19.746  -7.872
  243   2HG   GLN  31          HG3       GLN  31  18.438  17.986  -7.888
  244   1HE2  GLN  31          HE22      GLN  31  16.163  17.083  -7.741
  245   2HE2  GLN  31          HE21      GLN  31  14.878  17.971  -8.552
  246    H    PHE  32           H        PHE  32  19.089  17.044  -3.424
  247    HA   PHE  32           HA       PHE  32  18.422  19.020  -1.341
  248   1HB   PHE  32          HB2       PHE  32  18.605  16.007  -1.103
  249   2HB   PHE  32          HB3       PHE  32  17.816  17.111   0.011
  250    HD1  PHE  32           HD1      PHE  32  15.943  18.720  -1.287
  251    HD2  PHE  32           HD2      PHE  32  17.233  14.817  -2.577
  252    HE1  PHE  32           HE1      PHE  32  13.953  18.531  -2.760
  253    HE2  PHE  32           HE2      PHE  32  15.249  14.621  -4.014
  254    HZ   PHE  32           HZ       PHE  32  13.638  16.493  -4.171
  255    HA   PRO  33           HA       PRO  33  22.678  19.078  -0.115
  256   1HB   PRO  33          HB2       PRO  33  22.568  20.407   2.272
  257   2HB   PRO  33          HB3       PRO  33  22.077  21.150   0.728
  258   1HG   PRO  33          HG2       PRO  33  20.278  19.813   2.776
  259   2HG   PRO  33          HG3       PRO  33  20.106  21.447   2.059
  260   1HD   PRO  33          HD2       PRO  33  18.778  19.288   1.055
  261   2HD   PRO  33          HD3       PRO  33  19.423  20.570  -0.015
  262    H    GLY  34           H        GLY  34  21.346  16.512   0.411
  263   1HA   GLY  34          HA2       GLY  34  23.031  15.507   2.642
  264   2HA   GLY  34          HA3       GLY  34  21.288  15.172   2.642
  265    H    PHE  35           H        PHE  35  21.998  15.155  -0.627
  266    HA   PHE  35           HA       PHE  35  21.809  12.356  -0.912
  267   1HB   PHE  35          HB2       PHE  35  21.144  13.926  -2.625
  268   2HB   PHE  35          HB3       PHE  35  22.740  14.674  -2.629
  269    HD1  PHE  35           HD1      PHE  35  20.813  11.686  -3.701
  270    HD2  PHE  35           HD2      PHE  35  24.593  13.746  -3.877
  271    HE1  PHE  35           HE1      PHE  35  21.503  10.242  -5.573
  272    HE2  PHE  35           HE2      PHE  35  25.297  12.268  -5.750
  273    HZ   PHE  35           HZ       PHE  35  23.747  10.532  -6.599
  274    H    LYS  36           H        LYS  36  23.339  10.873  -1.486
  275    HA   LYS  36           HA       LYS  36  26.206  11.658  -1.452
  276   1HB   LYS  36          HB2       LYS  36  24.976   9.341   0.080
  277   2HB   LYS  36          HB3       LYS  36  26.684   9.424  -0.365
  278   1HG   LYS  36          HG2       LYS  36  26.981  11.500   0.897
  279   2HG   LYS  36          HG3       LYS  36  25.254  11.578   1.257
  280   1HD   LYS  36          HD2       LYS  36  26.575  10.759   3.185
  281   2HD   LYS  36          HD3       LYS  36  25.336   9.635   2.636
  282   1HE   LYS  36          HE2       LYS  36  27.215   8.336   3.167
  283   2HE   LYS  36          HE3       LYS  36  27.016   8.321   1.414
  284   1HZ   LYS  36          HZ1       LYS  36  29.337   8.625   2.064
  285   2HZ   LYS  36          HZ2       LYS  36  28.834   9.958   1.279
  286   3HZ   LYS  36          HZ3       LYS  36  28.991   9.971   2.908
  287    H    GLU  37           H        GLU  37  23.907   8.889  -2.326
  288    HA   GLU  37           HA       GLU  37  25.218   8.800  -4.924
  289   1HB   GLU  37          HB2       GLU  37  26.595   7.519  -2.828
  290   2HB   GLU  37          HB3       GLU  37  25.734   6.195  -3.592
  291   1HG   GLU  37          HG2       GLU  37  26.756   6.653  -5.728
  292   2HG   GLU  37          HG3       GLU  37  27.346   8.227  -5.201
  293    H    VAL  38           H        VAL  38  24.649   6.636  -6.111
  294    HA   VAL  38           HA       VAL  38  21.923   5.663  -5.455
  295    HB   VAL  38           HB       VAL  38  22.933   6.641  -8.168
  296   1HG1  VAL  38          HG11      VAL  38  21.364   4.765  -8.480
  297   2HG1  VAL  38          HG12      VAL  38  20.175   5.565  -7.426
  298   3HG1  VAL  38          HG13      VAL  38  20.645   6.264  -8.991
  299   1HG2  VAL  38          HG21      VAL  38  21.164   8.368  -8.010
  300   2HG2  VAL  38          HG22      VAL  38  20.830   7.861  -6.338
  301   3HG2  VAL  38          HG23      VAL  38  22.406   8.557  -6.790
  302    H    ARG  39           H        ARG  39  21.530   3.535  -6.278
  303    HA   ARG  39           HA       ARG  39  23.666   2.199  -7.821
  304   1HB   ARG  39          HB2       ARG  39  22.401   1.095  -5.282
  305   2HB   ARG  39          HB3       ARG  39  23.152   0.066  -6.502
  306   1HG   ARG  39          HG2       ARG  39  24.572   2.324  -5.064
  307   2HG   ARG  39          HG3       ARG  39  24.634   0.625  -4.577
  308   1HD   ARG  39          HD2       ARG  39  25.658   0.022  -6.748
  309   2HD   ARG  39          HD3       ARG  39  25.633   1.716  -7.250
  310    HE   ARG  39           HE       ARG  39  27.480   0.429  -5.419
  311   1HH1  ARG  39          HH11      ARG  39  26.097   3.624  -6.361
  312   2HH1  ARG  39          HH12      ARG  39  27.450   4.469  -5.621
  313   1HH2  ARG  39          HH21      ARG  39  29.206   1.748  -4.482
  314   2HH2  ARG  39          HH22      ARG  39  29.066   3.491  -4.612
  315    H    LEU  40           H        LEU  40  22.715   1.777  -9.632
  316    HA   LEU  40           HA       LEU  40  19.786   1.264  -9.820
  317   1HB   LEU  40          HB2       LEU  40  21.961   1.982 -11.728
  318   2HB   LEU  40          HB3       LEU  40  20.942   0.707 -12.317
  319    HG   LEU  40           HG       LEU  40  20.235   2.967 -13.045
  320   1HD1  LEU  40          HD11      LEU  40  18.643   1.128 -13.038
  321   2HD1  LEU  40          HD12      LEU  40  18.156   1.517 -11.373
  322   3HD1  LEU  40          HD13      LEU  40  17.843   2.662 -12.682
  323   1HD2  LEU  40          HD21      LEU  40  20.759   4.200 -10.967
  324   2HD2  LEU  40          HD22      LEU  40  19.137   4.529 -11.563
  325   3HD2  LEU  40          HD23      LEU  40  19.373   3.460 -10.170
  326    H    VAL  41           H        VAL  41  19.197  -0.718 -11.080
  327    HA   VAL  41           HA       VAL  41  20.969  -3.051 -10.485
  328    HB   VAL  41           HB       VAL  41  17.943  -3.039 -10.553
  329   1HG1  VAL  41          HG11      VAL  41  18.910  -5.176 -11.314
  330   2HG1  VAL  41          HG12      VAL  41  19.964  -5.230  -9.883
  331   3HG1  VAL  41          HG13      VAL  41  18.204  -5.365  -9.711
  332   1HG2  VAL  41          HG21      VAL  41  18.684  -1.947  -8.490
  333   2HG2  VAL  41          HG22      VAL  41  18.155  -3.587  -8.104
  334   3HG2  VAL  41          HG23      VAL  41  19.889  -3.222  -8.204
  335    HA   PRO  42           HA       PRO  42  20.651  -2.191 -14.920
  336   1HB   PRO  42          HB2       PRO  42  23.183  -2.873 -15.750
  337   2HB   PRO  42          HB3       PRO  42  22.838  -1.383 -14.828
  338   1HG   PRO  42          HG2       PRO  42  23.747  -4.065 -13.724
  339   2HG   PRO  42          HG3       PRO  42  24.487  -2.452 -13.446
  340   1HD   PRO  42          HD2       PRO  42  22.718  -3.529 -11.689
  341   2HD   PRO  42          HD3       PRO  42  22.711  -1.775 -12.051
  342    H    ASN  43           H        ASN  43  19.746  -4.562 -13.604
  343    HA   ASN  43           HA       ASN  43  19.737  -6.432 -15.841
  344   1HB   ASN  43          HB2       ASN  43  19.629  -7.188 -12.889
  345   2HB   ASN  43          HB3       ASN  43  19.299  -8.290 -14.215
  346   1HD2  ASN  43          HD22      ASN  43  21.827  -6.821 -12.322
  347   2HD2  ASN  43          HD21      ASN  43  23.165  -7.525 -13.190
  348    H    ARG  44           H        ARG  44  17.985  -4.305 -13.721
  349    HA   ARG  44           HA       ARG  44  15.495  -5.239 -15.052
  350   1HB   ARG  44          HB2       ARG  44  16.027  -5.014 -12.120
  351   2HB   ARG  44          HB3       ARG  44  14.571  -4.210 -12.676
  352   1HG   ARG  44          HG2       ARG  44  13.893  -6.342 -13.869
  353   2HG   ARG  44          HG3       ARG  44  15.295  -7.132 -13.134
  354   1HD   ARG  44          HD2       ARG  44  13.304  -7.644 -11.863
  355   2HD   ARG  44          HD3       ARG  44  14.369  -6.628 -10.877
  356    HE   ARG  44           HE       ARG  44  12.685  -4.816 -12.139
  357   1HH1  ARG  44          HH21      ARG  44  12.140  -7.615 -10.006
  358   2HH1  ARG  44          HH22      ARG  44  10.672  -6.997  -9.349
  359   1HH2  ARG  44          HH11      ARG  44  10.769  -3.992 -11.288
  360   2HH2  ARG  44          HH12      ARG  44   9.861  -4.888 -10.106
  361    H    HIS  45           H        HIS  45  17.335  -2.546 -13.703
  362    HA   HIS  45           HA       HIS  45  17.336  -0.387 -13.961
  363   1HB   HIS  45          HB2       HIS  45  15.812  -0.822 -16.543
  364   2HB   HIS  45          HB3       HIS  45  16.664   0.638 -16.068
  365    HD1  HIS  45           HD1      HIS  45  17.371  -2.848 -17.462
  366    HD2  HIS  45           HD2      HIS  45  19.363   0.627 -16.164
  367    HE1  HIS  45           HE1      HIS  45  19.778  -3.062 -18.259
  368    H    ASP  46           H        ASP  46  14.094  -1.784 -13.900
  369    HA   ASP  46           HA       ASP  46  12.803   0.777 -13.562
  370   1HB   ASP  46          HB2       ASP  46  10.790  -0.366 -13.467
  371   2HB   ASP  46          HB3       ASP  46  11.757  -1.283 -14.616
  372    H    ILE  47           H        ILE  47  14.738  -1.001 -11.463
  373    HA   ILE  47           HA       ILE  47  13.540   0.303  -9.097
  374    HB   ILE  47           HB       ILE  47  14.067  -1.646  -7.776
  375   1HG1  ILE  47          HG12      ILE  47  15.509  -2.563 -10.283
  376   2HG1  ILE  47          HG13      ILE  47  16.092  -2.436  -8.620
  377   1HG2  ILE  47          HG21      ILE  47  11.905  -1.606  -9.149
  378   2HG2  ILE  47          HG22      ILE  47  12.688  -2.751 -10.239
  379   3HG2  ILE  47          HG23      ILE  47  12.422  -3.187  -8.542
  380   1HD1  ILE  47          HD11      ILE  47  15.903  -4.731  -9.243
  381   2HD1  ILE  47          HD12      ILE  47  14.624  -4.378  -8.046
  382   3HD1  ILE  47          HD13      ILE  47  14.242  -4.485  -9.800
  383    H    ALA  48           H        ALA  48  15.153   0.661  -7.365
  384    HA   ALA  48           HA       ALA  48  17.992   0.541  -7.953
  385   1HB   ALA  48          HB1       ALA  48  17.322   2.536  -9.351
  386   2HB   ALA  48          HB2       ALA  48  16.669   3.300  -7.880
  387   3HB   ALA  48          HB3       ALA  48  18.402   2.974  -8.023
  388    H    PHE  49           H        PHE  49  19.173   1.948  -6.264
  389    HA   PHE  49           HA       PHE  49  17.655   2.299  -3.762
  390   1HB   PHE  49          HB2       PHE  49  20.431   1.074  -4.042
  391   2HB   PHE  49          HB3       PHE  49  19.748   1.634  -2.529
  392    HD1  PHE  49           HD1      PHE  49  19.394  -0.931  -5.221
  393    HD2  PHE  49           HD2      PHE  49  18.224   0.295  -1.251
  394    HE1  PHE  49           HE1      PHE  49  18.416  -3.177  -4.814
  395    HE2  PHE  49           HE2      PHE  49  17.286  -1.968  -0.834
  396    HZ   PHE  49           HZ       PHE  49  17.382  -3.706  -2.612
  397    H    VAL  50           H        VAL  50  18.489   4.103  -2.522
  398    HA   VAL  50           HA       VAL  50  20.516   5.834  -3.839
  399    HB   VAL  50           HB       VAL  50  17.784   6.755  -2.843
  400   1HG1  VAL  50          HG11      VAL  50  20.033   8.328  -4.170
  401   2HG1  VAL  50          HG12      VAL  50  18.412   8.949  -3.794
  402   3HG1  VAL  50          HG13      VAL  50  19.499   8.474  -2.487
  403   1HG2  VAL  50          HG21      VAL  50  17.546   5.615  -5.005
  404   2HG2  VAL  50          HG22      VAL  50  17.313   7.354  -5.194
  405   3HG2  VAL  50          HG23      VAL  50  18.846   6.602  -5.693
  406    H    GLU  51           H        GLU  51  21.724   7.046  -2.326
  407    HA   GLU  51           HA       GLU  51  21.475   6.153   0.511
  408   1HB   GLU  51          HB2       GLU  51  23.219   4.903  -0.669
  409   2HB   GLU  51          HB3       GLU  51  23.919   6.399  -1.301
  410   1HG   GLU  51          HG2       GLU  51  24.498   7.122   0.993
  411   2HG   GLU  51          HG3       GLU  51  23.767   5.664   1.656
  412    H    PHE  52           H        PHE  52  21.548   7.747   1.976
  413    HA   PHE  52           HA       PHE  52  22.314  10.498   1.142
  414   1HB   PHE  52          HB2       PHE  52  19.790   9.349   2.227
  415   2HB   PHE  52          HB3       PHE  52  20.351  10.782   3.066
  416    HD1  PHE  52           HD1      PHE  52  19.851   9.511  -0.437
  417    HD2  PHE  52           HD2      PHE  52  19.650  12.861   2.264
  418    HE1  PHE  52           HE1      PHE  52  19.034  10.938  -2.277
  419    HE2  PHE  52           HE2      PHE  52  18.801  14.291   0.426
  420    HZ   PHE  52           HZ       PHE  52  18.562  13.347  -1.866
  421    H    THR  53           H        THR  53  22.731  11.867   2.975
  422    HA   THR  53           HA       THR  53  24.718  10.850   4.739
  423    HB   THR  53           HB       THR  53  23.128  13.455   4.688
  424    HG1  THR  53           HG1      THR  53  24.309  13.161   2.842
  425   1HG2  THR  53          HG21      THR  53  24.096  13.257   6.881
  426   2HG2  THR  53          HG22      THR  53  25.667  12.760   6.212
  427   3HG2  THR  53          HG23      THR  53  25.056  14.416   5.952
  428    H    THR  54           H        THR  54  21.359  12.037   5.416
  429    HA   THR  54           HA       THR  54  21.407  10.527   7.967
  430    HB   THR  54           HB       THR  54  20.055  12.779   8.623
  431    HG1  THR  54           HG1      THR  54  21.152  14.557   7.809
  432   1HG2  THR  54          HG21      THR  54  21.892  11.871   9.911
  433   2HG2  THR  54          HG22      THR  54  23.076  12.415   8.709
  434   3HG2  THR  54          HG23      THR  54  22.156  13.603   9.663
  435    H    GLU  55           H        GLU  55  19.500   9.937   8.765
  436    HA   GLU  55           HA       GLU  55  17.676   8.854   6.907
  437   1HB   GLU  55          HB2       GLU  55  17.135   9.289   9.872
  438   2HB   GLU  55          HB3       GLU  55  16.438   8.081   8.797
  439   1HG   GLU  55          HG2       GLU  55  18.010   6.720   9.696
  440   2HG   GLU  55          HG3       GLU  55  19.061   7.442   8.480
  441    H    LEU  56           H        LEU  56  17.470  11.835   8.866
  442    HA   LEU  56           HA       LEU  56  14.734  12.455   8.229
  443   1HB   LEU  56          HB2       LEU  56  17.087  14.020   9.331
  444   2HB   LEU  56          HB3       LEU  56  15.645  14.866   8.785
  445    HG   LEU  56           HG       LEU  56  14.223  13.608  10.330
  446   1HD1  LEU  56          HD11      LEU  56  15.425  11.498  10.602
  447   2HD1  LEU  56          HD12      LEU  56  16.809  12.343  11.341
  448   3HD1  LEU  56          HD13      LEU  56  15.240  12.273  12.174
  449   1HD2  LEU  56          HD21      LEU  56  15.216  15.763  11.006
  450   2HD2  LEU  56          HD22      LEU  56  15.014  14.688  12.396
  451   3HD2  LEU  56          HD23      LEU  56  16.626  14.915  11.678
  452    H    GLN  57           H        GLN  57  17.865  13.290   6.634
  453    HA   GLN  57           HA       GLN  57  16.538  14.994   4.678
  454   1HB   GLN  57          HB2       GLN  57  19.319  13.738   4.653
  455   2HB   GLN  57          HB3       GLN  57  18.693  14.916   3.484
  456   1HG   GLN  57          HG2       GLN  57  18.203  16.444   5.510
  457   2HG   GLN  57          HG3       GLN  57  19.218  15.342   6.448
  458   1HE2  GLN  57          HE22      GLN  57  21.515  15.080   5.726
  459   2HE2  GLN  57          HE21      GLN  57  22.268  16.378   4.797
  460    H    SER  58           H        SER  58  17.516  11.569   4.838
  461    HA   SER  58           HA       SER  58  16.782  10.764   2.228
  462   1HB   SER  58          HB2       SER  58  16.220   9.139   4.737
  463   2HB   SER  58          HB3       SER  58  16.585   8.558   3.117
  464    HG   SER  58           HG       SER  58  18.409   9.990   4.806
  465    H    ASN  59           H        ASN  59  14.752  11.031   5.211
  466    HA   ASN  59           HA       ASN  59  12.282  10.405   3.988
  467   1HB   ASN  59          HB2       ASN  59  12.486  10.397   6.391
  468   2HB   ASN  59          HB3       ASN  59  12.953  12.090   6.422
  469   1HD2  ASN  59          HD22      ASN  59  11.316  13.457   7.034
  470   2HD2  ASN  59          HD21      ASN  59   9.620  13.175   6.739
  471    H    ALA  60           H        ALA  60  13.842  13.611   4.424
  472    HA   ALA  60           HA       ALA  60  11.702  15.103   3.301
  473   1HB   ALA  60          HB1       ALA  60  14.681  15.749   3.219
  474   2HB   ALA  60          HB2       ALA  60  13.343  16.893   2.985
  475   3HB   ALA  60          HB3       ALA  60  13.574  16.118   4.566
  476    H    ALA  61           H        ALA  61  14.529  13.624   1.696
  477    HA   ALA  61           HA       ALA  61  13.869  14.553  -0.934
  478   1HB   ALA  61          HB1       ALA  61  15.455  12.082  -0.105
  479   2HB   ALA  61          HB2       ALA  61  15.437  12.869  -1.699
  480   3HB   ALA  61          HB3       ALA  61  16.113  13.725  -0.300
  481    H    LYS  62           H        LYS  62  13.034  11.551   0.858
  482    HA   LYS  62           HA       LYS  62  11.599  10.251  -1.208
  483   1HB   LYS  62          HB2       LYS  62  12.262   9.133   0.854
  484   2HB   LYS  62          HB3       LYS  62  11.261  10.217   1.819
  485   1HG   LYS  62          HG2       LYS  62   9.216   9.316   0.719
  486   2HG   LYS  62          HG3       LYS  62  10.235   8.182  -0.185
  487   1HD   LYS  62          HD2       LYS  62  11.041   7.206   1.959
  488   2HD   LYS  62          HD3       LYS  62  10.032   8.374   2.845
  489   1HE   LYS  62          HE2       LYS  62   8.014   7.450   1.641
  490   2HE   LYS  62          HE3       LYS  62   9.047   6.199   0.940
  491   1HZ   LYS  62          HZ1       LYS  62   7.957   5.380   2.914
  492   2HZ   LYS  62          HZ2       LYS  62   9.538   5.462   3.228
  493   3HZ   LYS  62          HZ3       LYS  62   8.529   6.614   3.829
  494    H    GLU  63           H        GLU  63  10.378  12.512   1.351
  495    HA   GLU  63           HA       GLU  63   7.712  12.591   0.437
  496   1HB   GLU  63          HB2       GLU  63   9.434  14.661   1.864
  497   2HB   GLU  63          HB3       GLU  63   7.710  14.885   1.594
  498   1HG   GLU  63          HG2       GLU  63   8.828  12.478   3.092
  499   2HG   GLU  63          HG3       GLU  63   8.433  14.000   3.875
  500    H    ALA  64           H        ALA  64  10.540  14.484  -0.583
  501    HA   ALA  64           HA       ALA  64   9.133  16.324  -2.228
  502   1HB   ALA  64          HB1       ALA  64  11.399  16.689  -1.299
  503   2HB   ALA  64          HB2       ALA  64  12.028  15.404  -2.359
  504   3HB   ALA  64          HB3       ALA  64  11.366  16.892  -3.065
  505    H    LEU  65           H        LEU  65  10.680  13.157  -3.036
  506    HA   LEU  65           HA       LEU  65   9.866  13.588  -5.881
  507   1HB   LEU  65          HB2       LEU  65  12.151  11.996  -4.680
  508   2HB   LEU  65          HB3       LEU  65  11.708  11.964  -6.383
  509    HG   LEU  65           HG       LEU  65  12.687  14.405  -4.864
  510   1HD1  LEU  65          HD11      LEU  65  13.991  12.683  -7.019
  511   2HD1  LEU  65          HD12      LEU  65  14.683  14.162  -6.316
  512   3HD1  LEU  65          HD13      LEU  65  14.432  12.731  -5.304
  513   1HD2  LEU  65          HD21      LEU  65  12.828  15.481  -7.114
  514   2HD2  LEU  65          HD22      LEU  65  11.975  14.092  -7.816
  515   3HD2  LEU  65          HD23      LEU  65  11.164  15.154  -6.640
  516    H    GLN  66           H        GLN  66   8.742  11.733  -3.288
  517    HA   GLN  66           HA       GLN  66   8.081   9.352  -4.736
  518   1HB   GLN  66          HB2       GLN  66   6.797  10.827  -2.423
  519   2HB   GLN  66          HB3       GLN  66   5.863   9.597  -3.278
  520   1HG   GLN  66          HG2       GLN  66   7.702   7.950  -2.921
  521   2HG   GLN  66          HG3       GLN  66   8.526   9.119  -1.894
  522   1HE2  GLN  66          HE22      GLN  66   7.317   6.394  -1.230
  523   2HE2  GLN  66          HE21      GLN  66   6.105   6.713  -0.015
  524    H    GLY  67           H        GLY  67   6.791   9.005  -6.411
  525   1HA   GLY  67          HA2       GLY  67   5.075   9.205  -7.903
  526   2HA   GLY  67          HA3       GLY  67   4.478  10.646  -7.071
  527    H    PHE  68           H        PHE  68   7.849  10.972  -7.821
  528    HA   PHE  68           HA       PHE  68   7.253  13.161  -9.612
  529   1HB   PHE  68          HB2       PHE  68   9.125  13.196  -8.018
  530   2HB   PHE  68          HB3       PHE  68   9.875  11.820  -8.824
  531    HD1  PHE  68           HD1      PHE  68   9.053  15.434  -9.096
  532    HD2  PHE  68           HD2      PHE  68  11.110  12.100 -10.908
  533    HE1  PHE  68           HE1      PHE  68  10.275  16.995 -10.589
  534    HE2  PHE  68           HE2      PHE  68  12.318  13.665 -12.403
  535    HZ   PHE  68           HZ       PHE  68  11.911  16.113 -12.245
  536    H    LYS  69           H        LYS  69   6.944  12.994 -11.788
  537    HA   LYS  69           HA       LYS  69   7.398  10.536 -13.281
  538   1HB   LYS  69          HB2       LYS  69   6.473  13.315 -13.940
  539   2HB   LYS  69          HB3       LYS  69   7.374  12.485 -15.209
  540   1HG   LYS  69          HG2       LYS  69   5.052  12.066 -15.544
  541   2HG   LYS  69          HG3       LYS  69   5.899  10.576 -15.141
  542   1HD   LYS  69          HD2       LYS  69   5.057  10.877 -12.738
  543   2HD   LYS  69          HD3       LYS  69   4.051  12.200 -13.327
  544   1HE   LYS  69          HE2       LYS  69   4.001   9.320 -14.359
  545   2HE   LYS  69          HE3       LYS  69   2.902   9.964 -13.128
  546   1HZ   LYS  69          HZ1       LYS  69   3.006  10.710 -15.980
  547   2HZ   LYS  69          HZ2       LYS  69   1.768  10.058 -15.161
  548   3HZ   LYS  69          HZ3       LYS  69   2.175  11.607 -14.864
  549    H    ILE  70           H        ILE  70   9.343   9.741 -13.575
  550    HA   ILE  70           HA       ILE  70  11.735  11.510 -13.826
  551    HB   ILE  70           HB       ILE  70  11.417   8.521 -14.171
  552   1HG1  ILE  70          HG12      ILE  70  12.766   9.975 -11.862
  553   2HG1  ILE  70          HG13      ILE  70  11.074   9.490 -11.804
  554   1HG2  ILE  70          HG21      ILE  70  13.324   9.520 -15.456
  555   2HG2  ILE  70          HG22      ILE  70  13.914  10.277 -13.966
  556   3HG2  ILE  70          HG23      ILE  70  13.909   8.507 -14.137
  557   1HD1  ILE  70          HD11      ILE  70  12.492   7.816 -10.722
  558   2HD1  ILE  70          HD12      ILE  70  11.647   7.146 -12.117
  559   3HD1  ILE  70          HD13      ILE  70  13.380   7.549 -12.223
  560    H    THR  71           H        THR  71   9.583   9.336 -15.725
  561    HA   THR  71           HA       THR  71   9.891  11.059 -18.082
  562    HB   THR  71           HB       THR  71   9.837   7.993 -18.034
  563    HG1  THR  71           HG1      THR  71  11.963   9.791 -18.543
  564   1HG2  THR  71          HG21      THR  71  10.467   8.073 -20.429
  565   2HG2  THR  71          HG22      THR  71   8.845   8.686 -20.114
  566   3HG2  THR  71          HG23      THR  71  10.184   9.827 -20.431
  567    HA   PRO  72           HA       PRO  72   5.722  11.686 -17.598
  568   1HB   PRO  72          HB2       PRO  72   5.216  10.621 -20.384
  569   2HB   PRO  72          HB3       PRO  72   4.484  12.052 -19.583
  570   1HG   PRO  72          HG2       PRO  72   6.600  12.407 -21.209
  571   2HG   PRO  72          HG3       PRO  72   6.580  13.228 -19.612
  572   1HD   PRO  72          HD2       PRO  72   8.032  10.731 -20.439
  573   2HD   PRO  72          HD3       PRO  72   8.602  12.079 -19.411
  574    H    THR  73           H        THR  73   6.383   8.333 -18.426
  575    HA   THR  73           HA       THR  73   3.728   7.498 -17.442
  576    HB   THR  73           HB       THR  73   4.409   5.392 -18.797
  577    HG1  THR  73           HG1      THR  73   6.099   5.778 -20.299
  578   1HG2  THR  73          HG21      THR  73   2.862   7.129 -19.718
  579   2HG2  THR  73          HG22      THR  73   4.259   7.991 -20.399
  580   3HG2  THR  73          HG23      THR  73   3.853   6.357 -20.966
  581    H    HIS  74           H        HIS  74   6.647   7.967 -16.133
  582    HA   HIS  74           HA       HIS  74   6.632   5.478 -14.498
  583   1HB   HIS  74          HB2       HIS  74   8.943   6.745 -15.992
  584   2HB   HIS  74          HB3       HIS  74   9.129   5.587 -14.671
  585    HD1  HIS  74           HD1      HIS  74   7.712   5.641 -18.304
  586    HD2  HIS  74           HD2      HIS  74   8.639   3.030 -15.128
  587    HE1  HIS  74           HE1      HIS  74   7.636   3.300 -19.259
  588    H    ALA  75           H        ALA  75   5.418   6.867 -13.155
  589    HA   ALA  75           HA       ALA  75   6.631   9.065 -11.699
  590   1HB   ALA  75          HB1       ALA  75   4.350   7.161 -10.968
  591   2HB   ALA  75          HB2       ALA  75   4.791   8.637 -10.096
  592   3HB   ALA  75          HB3       ALA  75   4.174   8.746 -11.748
  593    H    MET  76           H        MET  76   8.454   8.722 -10.590
  594    HA   MET  76           HA       MET  76   9.643   6.399  -9.663
  595   1HB   MET  76          HB2       MET  76  10.547   8.763  -9.783
  596   2HB   MET  76          HB3       MET  76   9.606   9.165  -8.355
  597   1HG   MET  76          HG2       MET  76  10.861   7.341  -7.124
  598   2HG   MET  76          HG3       MET  76  11.891   7.172  -8.546
  599   1HE   MET  76          HE1       MET  76  13.550  10.871  -8.554
  600   2HE   MET  76          HE2       MET  76  13.437   9.359  -9.470
  601   3HE   MET  76          HE3       MET  76  12.034  10.450  -9.375
  602    H    LYS  77           H        LYS  77   9.233   4.989  -7.984
  603    HA   LYS  77           HA       LYS  77   7.446   5.912  -5.755
  604   1HB   LYS  77          HB2       LYS  77   7.990   3.166  -6.915
  605   2HB   LYS  77          HB3       LYS  77   7.317   3.411  -5.294
  606   1HG   LYS  77          HG2       LYS  77   5.464   4.780  -6.454
  607   2HG   LYS  77          HG3       LYS  77   6.051   4.082  -7.974
  608   1HD   LYS  77          HD2       LYS  77   5.134   2.506  -5.522
  609   2HD   LYS  77          HD3       LYS  77   4.130   2.825  -6.940
  610   1HE   LYS  77          HE2       LYS  77   5.476   1.467  -8.361
  611   2HE   LYS  77          HE3       LYS  77   6.806   1.407  -7.195
  612   1HZ   LYS  77          HZ1       LYS  77   5.530   0.031  -5.772
  613   2HZ   LYS  77          HZ2       LYS  77   4.177   0.151  -6.709
  614   3HZ   LYS  77          HZ3       LYS  77   5.497  -0.640  -7.256
  615    H    ILE  78           H        ILE  78   8.314   5.606  -3.676
  616    HA   ILE  78           HA       ILE  78  11.172   4.855  -3.457
  617    HB   ILE  78           HB       ILE  78   9.996   7.366  -2.230
  618   1HG1  ILE  78          HG12      ILE  78  11.708   7.340  -4.741
  619   2HG1  ILE  78          HG13      ILE  78  10.000   7.763  -4.658
  620   1HG2  ILE  78          HG21      ILE  78  11.993   6.313  -1.098
  621   2HG2  ILE  78          HG22      ILE  78  12.914   6.589  -2.589
  622   3HG2  ILE  78          HG23      ILE  78  12.277   7.946  -1.644
  623   1HD1  ILE  78          HD11      ILE  78  11.273   9.774  -4.749
  624   2HD1  ILE  78          HD12      ILE  78  10.546   9.647  -3.140
  625   3HD1  ILE  78          HD13      ILE  78  12.273   9.312  -3.374
  626    H    THR  79           H        THR  79  11.572   3.883  -1.490
  627    HA   THR  79           HA       THR  79   9.591   3.876   0.693
  628    HB   THR  79           HB       THR  79  10.254   1.239   0.597
  629    HG1  THR  79           HG1      THR  79  11.186   1.775  -1.648
  630   1HG2  THR  79          HG21      THR  79   8.025   0.836  -0.316
  631   2HG2  THR  79          HG22      THR  79   7.973   2.230   0.754
  632   3HG2  THR  79          HG23      THR  79   7.965   2.482  -0.993
  633    H    PHE  80           H        PHE  80  10.650   3.129   2.747
  634    HA   PHE  80           HA       PHE  80  13.465   3.966   2.793
  635   1HB   PHE  80          HB2       PHE  80  11.582   2.857   4.903
  636   2HB   PHE  80          HB3       PHE  80  13.260   3.266   5.225
  637    HD1  PHE  80           HD1      PHE  80  10.076   4.488   5.668
  638    HD2  PHE  80           HD2      PHE  80  13.915   5.772   4.192
  639    HE1  PHE  80           HE1      PHE  80   9.464   6.851   6.115
  640    HE2  PHE  80           HE2      PHE  80  13.259   8.133   4.525
  641    HZ   PHE  80           HZ       PHE  80  11.021   8.676   5.484
  642    H    ALA  81           H        ALA  81  15.227   2.649   2.665
  643    HA   ALA  81           HA       ALA  81  14.872  -0.229   2.201
  644   1HB   ALA  81          HB1       ALA  81  17.250  -0.261   1.795
  645   2HB   ALA  81          HB2       ALA  81  16.590   1.149   0.967
  646   3HB   ALA  81          HB3       ALA  81  17.461   1.343   2.511
  647    H    LYS  82           H        LYS  82  16.798  -1.488   3.510
  648    HA   LYS  82           HA       LYS  82  16.323  -1.047   6.427
  649   1HB   LYS  82          HB2       LYS  82  15.925  -3.601   4.820
  650   2HB   LYS  82          HB3       LYS  82  15.893  -3.503   6.586
  651   1HG   LYS  82          HG2       LYS  82  13.975  -2.004   6.529
  652   2HG   LYS  82          HG3       LYS  82  13.973  -1.954   4.774
  653   1HD   LYS  82          HD2       LYS  82  13.365  -4.388   6.493
  654   2HD   LYS  82          HD3       LYS  82  12.223  -3.426   5.536
  655   1HE   LYS  82          HE2       LYS  82  13.635  -4.037   3.476
  656   2HE   LYS  82          HE3       LYS  82  14.478  -5.203   4.507
  657   1HZ   LYS  82          HZ1       LYS  82  12.734  -6.309   3.371
  658   2HZ   LYS  82          HZ2       LYS  82  12.236  -6.202   4.924
  659   3HZ   LYS  82          HZ3       LYS  82  11.625  -5.185   3.768
  660    H    LYS  83           H        LYS  83  18.413  -0.448   6.889
  661    HA   LYS  83           HA       LYS  83  20.772  -1.733   5.813
  662   1HB   LYS  83          HB2       LYS  83  20.316  -0.071   8.331
  663   2HB   LYS  83          HB3       LYS  83  21.885  -0.709   7.825
  664   1HG   LYS  83          HG2       LYS  83  21.735   0.544   5.686
  665   2HG   LYS  83          HG3       LYS  83  20.158   1.180   6.162
  666   1HD   LYS  83          HD2       LYS  83  21.812   2.876   6.546
  667   2HD   LYS  83          HD3       LYS  83  21.205   2.317   8.115
  668   1HE   LYS  83          HE2       LYS  83  23.240   0.863   8.341
  669   2HE   LYS  83          HE3       LYS  83  23.816   1.454   6.775
  670   1HZ   LYS  83          HZ1       LYS  83  23.862   3.701   7.750
  671   2HZ   LYS  83          HZ2       LYS  83  23.426   3.095   9.209
  672   3HZ   LYS  83          HZ3       LYS  83  24.854   2.670   8.548
  Start of MODEL   12
    1   1H    ALA   1          H1        ALA   1  12.926  -4.767  -2.668
    2   2H    ALA   1          H2        ALA   1  12.869  -5.854  -1.451
    3   3H    ALA   1          H3        ALA   1  12.751  -6.370  -3.010
    4    HA   ALA   1           HA       ALA   1  10.673  -5.272  -3.305
    5   1HB   ALA   1          HB1       ALA   1   9.254  -6.562  -1.763
    6   2HB   ALA   1          HB2       ALA   1  10.552  -7.575  -2.415
    7   3HB   ALA   1          HB3       ALA   1  10.661  -6.950  -0.752
    8    H    GLN   2           H        GLN   2   9.057  -3.821  -2.550
    9    HA   GLN   2           HA       GLN   2  10.078  -1.656  -0.961
   10   1HB   GLN   2          HB2       GLN   2   7.228  -2.296  -1.880
   11   2HB   GLN   2          HB3       GLN   2   7.746  -0.792  -1.132
   12   1HG   GLN   2          HG2       GLN   2   9.437  -0.581  -3.082
   13   2HG   GLN   2          HG3       GLN   2   8.501  -1.855  -3.870
   14   1HE2  GLN   2          HE22      GLN   2   8.398   1.443  -2.545
   15   2HE2  GLN   2          HE21      GLN   2   6.954   1.964  -3.408
   16    H    THR   3           H        THR   3   9.567  -1.024   1.149
   17    HA   THR   3           HA       THR   3   7.566  -2.462   2.712
   18    HB   THR   3           HB       THR   3   9.280  -2.449   4.674
   19    HG1  THR   3           HG1      THR   3  10.962  -1.424   3.398
   20   1HG2  THR   3          HG21      THR   3   8.343  -4.527   3.634
   21   2HG2  THR   3          HG22      THR   3   9.741  -4.559   2.534
   22   3HG2  THR   3          HG23      THR   3   9.975  -4.713   4.291
   23    H    GLU   4           H        GLU   4   6.885  -1.124   4.536
   24    HA   GLU   4           HA       GLU   4   7.778   1.724   4.375
   25   1HB   GLU   4          HB2       GLU   4   5.153   0.501   5.328
   26   2HB   GLU   4          HB3       GLU   4   5.640   2.181   5.611
   27   1HG   GLU   4          HG2       GLU   4   5.837   2.545   3.157
   28   2HG   GLU   4          HG3       GLU   4   5.307   0.887   2.866
   29    H    GLN   5           H        GLN   5   8.719   2.529   6.214
   30    HA   GLN   5           HA       GLN   5   9.012   0.929   8.664
   31   1HB   GLN   5          HB2       GLN   5  11.279   1.683   6.744
   32   2HB   GLN   5          HB3       GLN   5  11.548   1.140   8.385
   33   1HG   GLN   5          HG2       GLN   5  10.241  -0.572   6.227
   34   2HG   GLN   5          HG3       GLN   5  11.940  -0.580   6.640
   35   1HE2  GLN   5          HE22      GLN   5   8.692  -1.408   7.853
   36   2HE2  GLN   5          HE21      GLN   5   9.253  -2.470   9.135
   37    HA   PRO   6           HA       PRO   6   9.860   5.154  10.274
   38   1HB   PRO   6          HB2       PRO   6  12.309   3.875  11.490
   39   2HB   PRO   6          HB3       PRO   6  11.135   4.997  12.245
   40   1HG   PRO   6          HG2       PRO   6  11.031   2.339  12.782
   41   2HG   PRO   6          HG3       PRO   6   9.517   3.256  12.489
   42   1HD   PRO   6          HD2       PRO   6  11.054   1.502  10.561
   43   2HD   PRO   6          HD3       PRO   6   9.289   1.570  10.861
   44    HA   PRO   7           HA       PRO   7  12.766   6.775   7.305
   45   1HB   PRO   7          HB2       PRO   7  13.902   8.384   9.607
   46   2HB   PRO   7          HB3       PRO   7  13.527   8.922   7.942
   47   1HG   PRO   7          HG2       PRO   7  11.790   9.443   9.947
   48   2HG   PRO   7          HG3       PRO   7  11.173   8.849   8.369
   49   1HD   PRO   7          HD2       PRO   7  11.610   7.289  10.925
   50   2HD   PRO   7          HD3       PRO   7  10.251   7.214   9.762
   51    H    ASN   8           H        ASN   8  14.778   6.265   6.489
   52    HA   ASN   8           HA       ASN   8  16.988   5.464   8.222
   53   1HB   ASN   8          HB2       ASN   8  17.216   3.270   7.492
   54   2HB   ASN   8          HB3       ASN   8  15.462   3.350   7.529
   55   1HD2  ASN   8          HD22      ASN   8  18.093   2.465   5.584
   56   2HD2  ASN   8          HD21      ASN   8  17.279   2.675   4.026
   57    H    GLN   9           H        GLN   9  19.024   5.531   6.938
   58    HA   GLN   9           HA       GLN   9  18.892   7.737   5.108
   59   1HB   GLN   9          HB2       GLN   9  21.220   7.912   5.349
   60   2HB   GLN   9          HB3       GLN   9  20.539   7.541   6.921
   61   1HG   GLN   9          HG2       GLN   9  21.231   5.147   6.641
   62   2HG   GLN   9          HG3       GLN   9  21.962   5.560   5.083
   63   1HE2  GLN   9          HE22      GLN   9  23.551   7.569   5.224
   64   2HE2  GLN   9          HE21      GLN   9  24.635   7.543   6.599
   65    H    ILE  10           H        ILE  10  18.049   4.859   4.053
   66    HA   ILE  10           HA       ILE  10  19.418   5.156   1.459
   67    HB   ILE  10           HB       ILE  10  19.156   2.439   2.815
   68   1HG1  ILE  10          HG12      ILE  10  21.699   4.076   2.515
   69   2HG1  ILE  10          HG13      ILE  10  20.882   3.674   4.030
   70   1HG2  ILE  10          HG21      ILE  10  19.056   2.515   0.295
   71   2HG2  ILE  10          HG22      ILE  10  20.673   3.243   0.293
   72   3HG2  ILE  10          HG23      ILE  10  20.416   1.594   0.906
   73   1HD1  ILE  10          HD11      ILE  10  22.749   2.214   3.821
   74   2HD1  ILE  10          HD12      ILE  10  21.279   1.246   3.584
   75   3HD1  ILE  10          HD13      ILE  10  22.286   1.715   2.190
   76    H    LEU  11           H        LEU  11  17.813   4.991  -0.137
   77    HA   LEU  11           HA       LEU  11  15.132   3.985   0.767
   78   1HB   LEU  11          HB2       LEU  11  15.746   5.827  -1.567
   79   2HB   LEU  11          HB3       LEU  11  14.180   5.252  -1.039
   80    HG   LEU  11           HG       LEU  11  14.153   7.369  -0.297
   81   1HD1  LEU  11          HD11      LEU  11  15.237   6.022   2.186
   82   2HD1  LEU  11          HD12      LEU  11  14.207   7.466   2.096
   83   3HD1  LEU  11          HD13      LEU  11  13.573   5.906   1.561
   84   1HD2  LEU  11          HD21      LEU  11  15.911   8.703   0.577
   85   2HD2  LEU  11          HD22      LEU  11  16.987   7.295   0.781
   86   3HD2  LEU  11          HD23      LEU  11  16.543   7.876  -0.839
   87    H    PHE  12           H        PHE  12  13.981   2.714  -0.717
   88    HA   PHE  12           HA       PHE  12  15.526   1.404  -2.910
   89   1HB   PHE  12          HB2       PHE  12  15.020  -0.277  -1.205
   90   2HB   PHE  12          HB3       PHE  12  13.351   0.283  -1.091
   91    HD1  PHE  12           HD1      PHE  12  15.768  -0.937  -3.732
   92    HD2  PHE  12           HD2      PHE  12  11.693  -0.824  -2.362
   93    HE1  PHE  12           HE1      PHE  12  15.134  -2.529  -5.517
   94    HE2  PHE  12           HE2      PHE  12  11.057  -2.444  -4.135
   95    HZ   PHE  12           HZ       PHE  12  12.775  -3.301  -5.718
   96    H    LEU  13           H        LEU  13  14.487   1.546  -4.877
   97    HA   LEU  13           HA       LEU  13  11.982   3.158  -4.962
   98   1HB   LEU  13          HB2       LEU  13  14.596   3.516  -6.486
   99   2HB   LEU  13          HB3       LEU  13  13.048   4.102  -7.071
  100    HG   LEU  13           HG       LEU  13  12.765   5.494  -5.042
  101   1HD1  LEU  13          HD11      LEU  13  14.974   6.085  -3.849
  102   2HD1  LEU  13          HD12      LEU  13  14.159   4.603  -3.368
  103   3HD1  LEU  13          HD13      LEU  13  15.575   4.514  -4.435
  104   1HD2  LEU  13          HD21      LEU  13  13.590   6.404  -7.167
  105   2HD2  LEU  13          HD22      LEU  13  14.361   7.210  -5.808
  106   3HD2  LEU  13          HD23      LEU  13  15.258   5.976  -6.716
  107    H    THR  14           H        THR  14  10.738   2.863  -6.800
  108    HA   THR  14           HA       THR  14  11.294   0.612  -8.628
  109    HB   THR  14           HB       THR  14   8.962  -0.283  -8.130
  110    HG1  THR  14           HG1      THR  14   9.323   1.204  -5.736
  111   1HG2  THR  14          HG21      THR  14  10.870  -0.496  -5.776
  112   2HG2  THR  14          HG22      THR  14   9.587  -1.635  -6.237
  113   3HG2  THR  14          HG23      THR  14  11.011  -1.437  -7.269
  114    H    ASN  15           H        ASN  15   9.375   0.468 -10.232
  115    HA   ASN  15           HA       ASN  15   8.357   1.329 -11.988
  116   1HB   ASN  15          HB2       ASN  15   6.648   1.795 -10.208
  117   2HB   ASN  15          HB3       ASN  15   7.253   3.454 -10.132
  118   1HD2  ASN  15          HD22      ASN  15   5.789   4.766 -11.202
  119   2HD2  ASN  15          HD21      ASN  15   4.912   4.308 -12.662
  120    H    LEU  16           H        LEU  16  11.041   2.195 -11.580
  121    HA   LEU  16           HA       LEU  16  11.300   4.958 -12.516
  122   1HB   LEU  16          HB2       LEU  16  13.351   2.733 -12.623
  123   2HB   LEU  16          HB3       LEU  16  13.653   4.451 -12.663
  124    HG   LEU  16           HG       LEU  16  12.635   2.895 -10.245
  125   1HD1  LEU  16          HD11      LEU  16  15.364   4.075 -10.841
  126   2HD1  LEU  16          HD12      LEU  16  14.838   3.289  -9.330
  127   3HD1  LEU  16          HD13      LEU  16  14.944   2.360 -10.838
  128   1HD2  LEU  16          HD21      LEU  16  13.538   5.795 -10.516
  129   2HD2  LEU  16          HD22      LEU  16  11.853   5.260 -10.249
  130   3HD2  LEU  16          HD23      LEU  16  13.081   4.993  -9.016
  131    HA   PRO  17           HA       PRO  17  11.076   4.145 -16.972
  132   1HB   PRO  17          HB2       PRO  17  13.858   5.242 -17.157
  133   2HB   PRO  17          HB3       PRO  17  12.416   5.627 -18.137
  134   1HG   PRO  17          HG2       PRO  17  13.328   7.250 -16.131
  135   2HG   PRO  17          HG3       PRO  17  11.583   7.084 -16.488
  136   1HD   PRO  17          HD2       PRO  17  13.114   5.978 -14.196
  137   2HD   PRO  17          HD3       PRO  17  11.392   6.384 -14.326
  138    H    GLU  18           H        GLU  18  11.783   2.424 -18.358
  139    HA   GLU  18           HA       GLU  18  13.488   0.371 -17.252
  140   1HB   GLU  18          HB2       GLU  18  12.298   0.751 -20.037
  141   2HB   GLU  18          HB3       GLU  18  13.132  -0.710 -19.487
  142   1HG   GLU  18          HG2       GLU  18  11.456  -0.978 -17.662
  143   2HG   GLU  18          HG3       GLU  18  10.571   0.419 -18.282
  144    H    GLU  19           H        GLU  19  14.406   3.283 -18.393
  145    HA   GLU  19           HA       GLU  19  16.911   2.337 -19.539
  146   1HB   GLU  19          HB2       GLU  19  15.378   4.860 -20.298
  147   2HB   GLU  19          HB3       GLU  19  16.849   4.246 -21.067
  148   1HG   GLU  19          HG2       GLU  19  15.533   2.184 -21.746
  149   2HG   GLU  19          HG3       GLU  19  14.074   2.982 -21.137
  150    H    THR  20           H        THR  20  15.881   3.366 -16.724
  151    HA   THR  20           HA       THR  20  17.163   5.853 -16.171
  152    HB   THR  20           HB       THR  20  16.630   3.553 -14.240
  153    HG1  THR  20           HG1      THR  20  14.704   3.861 -15.126
  154   1HG2  THR  20          HG21      THR  20  17.817   5.437 -13.175
  155   2HG2  THR  20          HG22      THR  20  16.661   6.593 -13.885
  156   3HG2  THR  20          HG23      THR  20  16.124   5.431 -12.659
  157    H    ASN  21           H        ASN  21  19.155   6.269 -15.134
  158    HA   ASN  21           HA       ASN  21  21.021   4.071 -14.733
  159   1HB   ASN  21          HB2       ASN  21  22.824   4.978 -15.874
  160   2HB   ASN  21          HB3       ASN  21  21.513   5.098 -17.030
  161   1HD2  ASN  21          HD22      ASN  21  23.939   6.608 -17.188
  162   2HD2  ASN  21          HD21      ASN  21  23.525   8.289 -16.993
  163    H    GLU  22           H        GLU  22  22.975   5.075 -13.436
  164    HA   GLU  22           HA       GLU  22  21.893   6.120 -11.044
  165   1HB   GLU  22          HB2       GLU  22  24.776   6.180 -12.031
  166   2HB   GLU  22          HB3       GLU  22  24.253   6.425 -10.352
  167   1HG   GLU  22          HG2       GLU  22  23.273   4.151 -10.329
  168   2HG   GLU  22          HG3       GLU  22  23.814   3.906 -11.995
  169    H    MET  23           H        MET  23  23.405   7.740 -13.776
  170    HA   MET  23           HA       MET  23  23.824  10.242 -12.548
  171   1HB   MET  23          HB2       MET  23  24.809   9.481 -14.731
  172   2HB   MET  23          HB3       MET  23  23.242   9.802 -15.498
  173   1HG   MET  23          HG2       MET  23  23.394  12.174 -14.819
  174   2HG   MET  23          HG3       MET  23  24.939  11.850 -14.024
  175   1HE   MET  23          HE1       MET  23  25.923  14.094 -17.085
  176   2HE   MET  23          HE2       MET  23  24.434  14.194 -16.122
  177   3HE   MET  23          HE3       MET  23  25.993  13.897 -15.321
  178    H    MET  24           H        MET  24  20.908   9.051 -14.251
  179    HA   MET  24           HA       MET  24  19.488  11.511 -14.304
  180   1HB   MET  24          HB2       MET  24  18.519   8.621 -14.127
  181   2HB   MET  24          HB3       MET  24  17.406   9.987 -14.198
  182   1HG   MET  24          HG2       MET  24  19.520   9.395 -16.285
  183   2HG   MET  24          HG3       MET  24  17.824   8.911 -16.379
  184   1HE   MET  24          HE1       MET  24  19.391  10.501 -18.659
  185   2HE   MET  24          HE2       MET  24  17.689   9.999 -18.788
  186   3HE   MET  24          HE3       MET  24  18.149  11.678 -19.144
  187    H    LEU  25           H        LEU  25  19.348   8.898 -11.867
  188    HA   LEU  25           HA       LEU  25  17.608  10.475 -10.165
  189   1HB   LEU  25          HB2       LEU  25  19.276   8.038  -9.490
  190   2HB   LEU  25          HB3       LEU  25  18.045   8.747  -8.453
  191    HG   LEU  25           HG       LEU  25  17.667   7.309 -11.104
  192   1HD1  LEU  25          HD11      LEU  25  16.704   6.813  -8.255
  193   2HD1  LEU  25          HD12      LEU  25  16.233   5.842  -9.666
  194   3HD1  LEU  25          HD13      LEU  25  17.922   5.877  -9.144
  195   1HD2  LEU  25          HD21      LEU  25  15.650   8.958  -9.531
  196   2HD2  LEU  25          HD22      LEU  25  16.114   9.130 -11.244
  197   3HD2  LEU  25          HD23      LEU  25  15.190   7.721 -10.732
  198    H    SER  26           H        SER  26  21.156  10.115 -10.433
  199    HA   SER  26           HA       SER  26  21.761  11.359  -7.925
  200   1HB   SER  26          HB2       SER  26  23.355  11.429 -10.526
  201   2HB   SER  26          HB3       SER  26  23.957  11.855  -8.916
  202    HG   SER  26           HG       SER  26  23.041   9.329  -9.833
  203    H    MET  27           H        MET  27  21.216  12.692 -11.230
  204    HA   MET  27           HA       MET  27  21.572  15.408 -10.545
  205   1HB   MET  27          HB2       MET  27  21.523  14.457 -12.844
  206   2HB   MET  27          HB3       MET  27  19.805  14.113 -12.670
  207   1HG   MET  27          HG2       MET  27  20.149  16.121 -13.953
  208   2HG   MET  27          HG3       MET  27  19.281  16.451 -12.459
  209   1HE   MET  27          HE1       MET  27  23.700  17.670 -13.275
  210   2HE   MET  27          HE2       MET  27  23.256  15.991 -12.910
  211   3HE   MET  27          HE3       MET  27  22.673  16.762 -14.405
  212    H    LEU  28           H        LEU  28  18.634  13.288 -10.409
  213    HA   LEU  28           HA       LEU  28  16.923  15.447  -9.581
  214   1HB   LEU  28          HB2       LEU  28  16.624  12.442  -9.240
  215   2HB   LEU  28          HB3       LEU  28  15.379  13.609  -8.809
  216    HG   LEU  28           HG       LEU  28  16.488  13.217 -11.617
  217   1HD1  LEU  28          HD11      LEU  28  13.791  12.440 -10.444
  218   2HD1  LEU  28          HD12      LEU  28  14.335  12.184 -12.117
  219   3HD1  LEU  28          HD13      LEU  28  15.123  11.315 -10.794
  220   1HD2  LEU  28          HD21      LEU  28  14.212  14.978 -10.613
  221   2HD2  LEU  28          HD22      LEU  28  15.724  15.523 -11.378
  222   3HD2  LEU  28          HD23      LEU  28  14.548  14.618 -12.322
  223    H    PHE  29           H        PHE  29  18.507  12.899  -7.591
  224    HA   PHE  29           HA       PHE  29  17.312  14.056  -5.202
  225   1HB   PHE  29          HB2       PHE  29  19.177  11.710  -5.712
  226   2HB   PHE  29          HB3       PHE  29  18.773  12.272  -4.097
  227    HD1  PHE  29           HD1      PHE  29  16.856  11.651  -2.965
  228    HD2  PHE  29           HD2      PHE  29  17.147  10.897  -7.195
  229    HE1  PHE  29           HE1      PHE  29  14.793  10.281  -2.861
  230    HE2  PHE  29           HE2      PHE  29  15.113   9.504  -7.082
  231    HZ   PHE  29           HZ       PHE  29  13.913   9.219  -4.927
  232    H    ASN  30           H        ASN  30  20.564  14.367  -6.714
  233    HA   ASN  30           HA       ASN  30  21.897  15.143  -4.346
  234   1HB   ASN  30          HB2       ASN  30  23.075  14.469  -6.346
  235   2HB   ASN  30          HB3       ASN  30  22.514  15.918  -7.200
  236   1HD2  ASN  30          HD22      ASN  30  24.181  17.414  -7.359
  237   2HD2  ASN  30          HD21      ASN  30  25.368  17.710  -6.119
  238    H    GLN  31           H        GLN  31  19.442  16.840  -6.019
  239    HA   GLN  31           HA       GLN  31  20.086  19.545  -5.499
  240   1HB   GLN  31          HB2       GLN  31  17.399  18.101  -5.520
  241   2HB   GLN  31          HB3       GLN  31  17.602  19.857  -5.501
  242   1HG   GLN  31          HG2       GLN  31  18.822  19.751  -7.665
  243   2HG   GLN  31          HG3       GLN  31  18.579  18.001  -7.716
  244   1HE2  GLN  31          HE22      GLN  31  16.267  17.215  -7.669
  245   2HE2  GLN  31          HE21      GLN  31  15.044  18.200  -8.463
  246    H    PHE  32           H        PHE  32  19.041  16.912  -3.327
  247    HA   PHE  32           HA       PHE  32  18.416  18.783  -1.153
  248   1HB   PHE  32          HB2       PHE  32  18.575  15.759  -1.080
  249   2HB   PHE  32          HB3       PHE  32  17.795  16.810   0.095
  250    HD1  PHE  32           HD1      PHE  32  17.202  14.661  -2.616
  251    HD2  PHE  32           HD2      PHE  32  15.920  18.479  -1.082
  252    HE1  PHE  32           HE1      PHE  32  15.193  14.542  -4.031
  253    HE2  PHE  32           HE2      PHE  32  13.900  18.362  -2.524
  254    HZ   PHE  32           HZ       PHE  32  13.565  16.406  -4.039
  255    HA   PRO  33           HA       PRO  33  22.713  18.738  -0.038
  256   1HB   PRO  33          HB2       PRO  33  22.696  20.130   2.316
  257   2HB   PRO  33          HB3       PRO  33  22.210  20.848   0.760
  258   1HG   PRO  33          HG2       PRO  33  20.397  19.650   2.878
  259   2HG   PRO  33          HG3       PRO  33  20.272  21.260   2.101
  260   1HD   PRO  33          HD2       PRO  33  18.851  19.110   1.203
  261   2HD   PRO  33          HD3       PRO  33  19.510  20.338   0.079
  262    H    GLY  34           H        GLY  34  21.406  16.222   0.503
  263   1HA   GLY  34          HA2       GLY  34  23.103  15.219   2.726
  264   2HA   GLY  34          HA3       GLY  34  21.366  14.854   2.722
  265    H    PHE  35           H        PHE  35  21.977  14.842  -0.533
  266    HA   PHE  35           HA       PHE  35  21.847  12.072  -0.865
  267   1HB   PHE  35          HB2       PHE  35  21.180  13.705  -2.525
  268   2HB   PHE  35          HB3       PHE  35  22.790  14.422  -2.537
  269    HD1  PHE  35           HD1      PHE  35  24.651  13.412  -3.760
  270    HD2  PHE  35           HD2      PHE  35  20.740  11.599  -3.740
  271    HE1  PHE  35           HE1      PHE  35  25.288  11.994  -5.700
  272    HE2  PHE  35           HE2      PHE  35  21.359  10.234  -5.695
  273    HZ   PHE  35           HZ       PHE  35  23.639  10.419  -6.666
  274    H    LYS  36           H        LYS  36  23.364  10.593  -1.505
  275    HA   LYS  36           HA       LYS  36  26.238  11.360  -1.505
  276   1HB   LYS  36          HB2       LYS  36  25.212   8.848  -0.131
  277   2HB   LYS  36          HB3       LYS  36  26.898   9.304  -0.393
  278   1HG   LYS  36          HG2       LYS  36  26.363  11.448   0.952
  279   2HG   LYS  36          HG3       LYS  36  24.877  10.631   1.437
  280   1HD   LYS  36          HD2       LYS  36  27.752   9.817   1.985
  281   2HD   LYS  36          HD3       LYS  36  26.535  10.332   3.159
  282   1HE   LYS  36          HE2       LYS  36  25.240   8.259   2.752
  283   2HE   LYS  36          HE3       LYS  36  26.398   7.760   1.514
  284   1HZ   LYS  36          HZ1       LYS  36  27.055   8.100   4.384
  285   2HZ   LYS  36          HZ2       LYS  36  26.858   6.676   3.610
  286   3HZ   LYS  36          HZ3       LYS  36  28.105   7.642   3.221
  287    H    GLU  37           H        GLU  37  23.876   8.673  -2.401
  288    HA   GLU  37           HA       GLU  37  25.373   8.412  -4.930
  289   1HB   GLU  37          HB2       GLU  37  26.717   7.226  -3.127
  290   2HB   GLU  37          HB3       GLU  37  25.380   6.101  -2.926
  291   1HG   GLU  37          HG2       GLU  37  25.715   5.166  -5.085
  292   2HG   GLU  37          HG3       GLU  37  26.662   6.549  -5.643
  293    H    VAL  38           H        VAL  38  24.519   6.616  -6.310
  294    HA   VAL  38           HA       VAL  38  21.769   5.690  -5.722
  295    HB   VAL  38           HB       VAL  38  22.775   6.770  -8.399
  296   1HG1  VAL  38          HG11      VAL  38  21.216   4.864  -8.689
  297   2HG1  VAL  38          HG12      VAL  38  20.020   5.676  -7.658
  298   3HG1  VAL  38          HG13      VAL  38  20.508   6.357  -9.229
  299   1HG2  VAL  38          HG21      VAL  38  21.035   8.494  -8.164
  300   2HG2  VAL  38          HG22      VAL  38  20.673   7.918  -6.520
  301   3HG2  VAL  38          HG23      VAL  38  22.262   8.613  -6.922
  302    H    ARG  39           H        ARG  39  21.443   3.579  -6.454
  303    HA   ARG  39           HA       ARG  39  23.627   2.172  -7.905
  304   1HB   ARG  39          HB2       ARG  39  22.314   1.204  -5.321
  305   2HB   ARG  39          HB3       ARG  39  23.470   0.298  -6.307
  306   1HG   ARG  39          HG2       ARG  39  25.205   2.024  -5.864
  307   2HG   ARG  39          HG3       ARG  39  24.041   2.953  -4.906
  308   1HD   ARG  39          HD2       ARG  39  23.836   1.023  -3.336
  309   2HD   ARG  39          HD3       ARG  39  25.185   0.248  -4.191
  310    HE   ARG  39           HE       ARG  39  26.451   2.436  -3.725
  311   1HH1  ARG  39          HH21      ARG  39  23.998   1.305  -1.364
  312   2HH1  ARG  39          HH22      ARG  39  24.596   2.387  -0.127
  313   1HH2  ARG  39          HH11      ARG  39  27.159   3.696  -2.176
  314   2HH2  ARG  39          HH12      ARG  39  26.443   3.776  -0.567
  315    H    LEU  40           H        LEU  40  22.417   1.979  -9.780
  316    HA   LEU  40           HA       LEU  40  19.597   1.199  -9.806
  317   1HB   LEU  40          HB2       LEU  40  21.762   1.703 -11.870
  318   2HB   LEU  40          HB3       LEU  40  20.446   0.652 -12.336
  319    HG   LEU  40           HG       LEU  40  20.167   3.000 -13.032
  320   1HD1  LEU  40          HD11      LEU  40  18.247   1.671 -13.081
  321   2HD1  LEU  40          HD12      LEU  40  18.038   1.700 -11.325
  322   3HD1  LEU  40          HD13      LEU  40  17.746   3.158 -12.273
  323   1HD2  LEU  40          HD21      LEU  40  19.475   4.728 -11.496
  324   2HD2  LEU  40          HD22      LEU  40  19.564   3.617 -10.118
  325   3HD2  LEU  40          HD23      LEU  40  21.042   4.090 -10.985
  326    H    VAL  41           H        VAL  41  19.042  -0.802 -11.031
  327    HA   VAL  41           HA       VAL  41  20.863  -3.082 -10.400
  328    HB   VAL  41           HB       VAL  41  17.846  -3.063 -10.718
  329   1HG1  VAL  41          HG11      VAL  41  19.776  -5.342 -10.080
  330   2HG1  VAL  41          HG12      VAL  41  18.003  -5.441 -10.016
  331   3HG1  VAL  41          HG13      VAL  41  18.805  -5.168 -11.561
  332   1HG2  VAL  41          HG21      VAL  41  19.648  -3.435  -8.282
  333   2HG2  VAL  41          HG22      VAL  41  18.488  -2.117  -8.560
  334   3HG2  VAL  41          HG23      VAL  41  17.906  -3.763  -8.303
  335    HA   PRO  42           HA       PRO  42  21.114  -2.155 -14.808
  336   1HB   PRO  42          HB2       PRO  42  23.555  -3.320 -15.424
  337   2HB   PRO  42          HB3       PRO  42  23.366  -1.797 -14.513
  338   1HG   PRO  42          HG2       PRO  42  23.679  -4.599 -13.385
  339   2HG   PRO  42          HG3       PRO  42  24.626  -3.129 -12.972
  340   1HD   PRO  42          HD2       PRO  42  22.532  -3.890 -11.447
  341   2HD   PRO  42          HD3       PRO  42  22.771  -2.153 -11.834
  342    H    ASN  43           H        ASN  43  19.678  -4.450 -13.856
  343    HA   ASN  43           HA       ASN  43  19.314  -5.751 -16.410
  344   1HB   ASN  43          HB2       ASN  43  19.049  -7.989 -15.575
  345   2HB   ASN  43          HB3       ASN  43  20.631  -7.411 -15.083
  346   1HD2  ASN  43          HD22      ASN  43  21.080  -7.241 -12.819
  347   2HD2  ASN  43          HD21      ASN  43  19.928  -7.714 -11.598
  348    H    ARG  44           H        ARG  44  17.979  -4.135 -13.704
  349    HA   ARG  44           HA       ARG  44  15.334  -4.254 -14.864
  350   1HB   ARG  44          HB2       ARG  44  16.011  -5.231 -12.057
  351   2HB   ARG  44          HB3       ARG  44  14.565  -4.277 -12.330
  352   1HG   ARG  44          HG2       ARG  44  13.930  -5.962 -14.176
  353   2HG   ARG  44          HG3       ARG  44  15.200  -6.994 -13.489
  354   1HD   ARG  44          HD2       ARG  44  13.077  -7.587 -12.480
  355   2HD   ARG  44          HD3       ARG  44  14.078  -6.779 -11.250
  356    HE   ARG  44           HE       ARG  44  12.576  -4.748 -12.444
  357   1HH1  ARG  44          HH21      ARG  44  11.876  -7.693 -10.562
  358   2HH1  ARG  44          HH22      ARG  44  10.424  -7.075  -9.869
  359   1HH2  ARG  44          HH11      ARG  44  10.642  -3.935 -11.556
  360   2HH2  ARG  44          HH12      ARG  44   9.701  -4.889 -10.448
  361    H    HIS  45           H        HIS  45  16.613  -2.213 -15.527
  362    HA   HIS  45           HA       HIS  45  17.414  -0.304 -13.680
  363   1HB   HIS  45          HB2       HIS  45  15.978   0.335 -16.289
  364   2HB   HIS  45          HB3       HIS  45  17.163   1.332 -15.462
  365    HD1  HIS  45           HD1      HIS  45  17.098  -0.415 -18.473
  366    HD2  HIS  45           HD2      HIS  45  19.621  -0.535 -15.104
  367    HE1  HIS  45           HE1      HIS  45  19.303  -1.450 -19.259
  368    H    ASP  46           H        ASP  46  14.217  -1.498 -13.962
  369    HA   ASP  46           HA       ASP  46  12.760   0.978 -13.620
  370   1HB   ASP  46          HB2       ASP  46  10.818  -0.283 -13.656
  371   2HB   ASP  46          HB3       ASP  46  11.869  -1.063 -14.834
  372    H    ILE  47           H        ILE  47  14.687  -0.969 -11.555
  373    HA   ILE  47           HA       ILE  47  13.450   0.328  -9.207
  374    HB   ILE  47           HB       ILE  47  13.757  -1.589  -7.865
  375   1HG1  ILE  47          HG12      ILE  47  15.606  -2.481 -10.032
  376   2HG1  ILE  47          HG13      ILE  47  15.803  -2.485  -8.287
  377   1HG2  ILE  47          HG21      ILE  47  12.247  -3.200  -8.769
  378   2HG2  ILE  47          HG22      ILE  47  11.763  -1.633  -9.431
  379   3HG2  ILE  47          HG23      ILE  47  12.665  -2.771 -10.439
  380   1HD1  ILE  47          HD11      ILE  47  14.256  -4.417 -10.014
  381   2HD1  ILE  47          HD12      ILE  47  15.769  -4.723  -9.146
  382   3HD1  ILE  47          HD13      ILE  47  14.273  -4.467  -8.211
  383    H    ALA  48           H        ALA  48  15.056   0.610  -7.418
  384    HA   ALA  48           HA       ALA  48  17.897   0.482  -8.008
  385   1HB   ALA  48          HB1       ALA  48  17.206   2.509  -9.393
  386   2HB   ALA  48          HB2       ALA  48  16.623   3.263  -7.895
  387   3HB   ALA  48          HB3       ALA  48  18.342   2.896  -8.101
  388    H    PHE  49           H        PHE  49  19.109   1.863  -6.330
  389    HA   PHE  49           HA       PHE  49  17.592   2.282  -3.842
  390   1HB   PHE  49          HB2       PHE  49  20.345   1.004  -4.082
  391   2HB   PHE  49          HB3       PHE  49  19.654   1.598  -2.583
  392    HD1  PHE  49           HD1      PHE  49  19.257  -0.977  -5.262
  393    HD2  PHE  49           HD2      PHE  49  18.095   0.286  -1.296
  394    HE1  PHE  49           HE1      PHE  49  18.219  -3.197  -4.860
  395    HE2  PHE  49           HE2      PHE  49  17.130  -1.962  -0.875
  396    HZ   PHE  49           HZ       PHE  49  17.193  -3.706  -2.647
  397    H    VAL  50           H        VAL  50  18.395   4.100  -2.657
  398    HA   VAL  50           HA       VAL  50  20.450   5.808  -3.971
  399    HB   VAL  50           HB       VAL  50  17.689   6.712  -3.018
  400   1HG1  VAL  50          HG11      VAL  50  19.389   8.444  -2.629
  401   2HG1  VAL  50          HG12      VAL  50  19.957   8.300  -4.302
  402   3HG1  VAL  50          HG13      VAL  50  18.325   8.916  -3.959
  403   1HG2  VAL  50          HG21      VAL  50  17.492   5.569  -5.177
  404   2HG2  VAL  50          HG22      VAL  50  17.250   7.306  -5.376
  405   3HG2  VAL  50          HG23      VAL  50  18.795   6.565  -5.850
  406    H    GLU  51           H        GLU  51  21.683   6.976  -2.393
  407    HA   GLU  51           HA       GLU  51  21.184   6.171   0.440
  408   1HB   GLU  51          HB2       GLU  51  22.792   4.652  -0.534
  409   2HB   GLU  51          HB3       GLU  51  23.754   5.991  -1.178
  410   1HG   GLU  51          HG2       GLU  51  24.367   6.737   1.025
  411   2HG   GLU  51          HG3       GLU  51  23.220   5.642   1.800
  412    H    PHE  52           H        PHE  52  21.692   7.597   1.952
  413    HA   PHE  52           HA       PHE  52  22.433  10.369   1.192
  414   1HB   PHE  52          HB2       PHE  52  19.950   9.195   2.402
  415   2HB   PHE  52          HB3       PHE  52  20.530  10.662   3.139
  416    HD1  PHE  52           HD1      PHE  52  19.801  12.699   2.333
  417    HD2  PHE  52           HD2      PHE  52  19.811   9.302  -0.317
  418    HE1  PHE  52           HE1      PHE  52  18.812  14.095   0.543
  419    HE2  PHE  52           HE2      PHE  52  18.878  10.712  -2.122
  420    HZ   PHE  52           HZ       PHE  52  18.412  13.117  -1.710
  421    H    THR  53           H        THR  53  22.856  11.669   3.098
  422    HA   THR  53           HA       THR  53  24.832  10.542   4.849
  423    HB   THR  53           HB       THR  53  23.389  13.232   4.720
  424    HG1  THR  53           HG1      THR  53  24.573  12.840   2.898
  425   1HG2  THR  53          HG21      THR  53  25.864  12.448   6.304
  426   2HG2  THR  53          HG22      THR  53  25.342  14.126   5.992
  427   3HG2  THR  53          HG23      THR  53  24.309  13.039   6.933
  428    H    THR  54           H        THR  54  21.475  11.782   5.366
  429    HA   THR  54           HA       THR  54  21.432  10.452   8.010
  430    HB   THR  54           HB       THR  54  20.104  12.788   8.476
  431    HG1  THR  54           HG1      THR  54  21.405  14.461   7.687
  432   1HG2  THR  54          HG21      THR  54  23.095  12.341   8.766
  433   2HG2  THR  54          HG22      THR  54  22.132  13.557   9.640
  434   3HG2  THR  54          HG23      THR  54  21.828  11.833   9.902
  435    H    GLU  55           H        GLU  55  19.576   9.844   8.736
  436    HA   GLU  55           HA       GLU  55  17.675   8.807   6.964
  437   1HB   GLU  55          HB2       GLU  55  17.140   9.330   9.914
  438   2HB   GLU  55          HB3       GLU  55  16.437   8.104   8.867
  439   1HG   GLU  55          HG2       GLU  55  17.900   6.794   9.984
  440   2HG   GLU  55          HG3       GLU  55  18.938   7.250   8.644
  441    H    LEU  56           H        LEU  56  17.640  11.868   8.746
  442    HA   LEU  56           HA       LEU  56  14.882  12.547   8.233
  443   1HB   LEU  56          HB2       LEU  56  17.356  14.067   9.114
  444   2HB   LEU  56          HB3       LEU  56  15.927  14.948   8.584
  445    HG   LEU  56           HG       LEU  56  14.530  13.852  10.275
  446   1HD1  LEU  56          HD11      LEU  56  15.666  11.717  10.631
  447   2HD1  LEU  56          HD12      LEU  56  17.115  12.551  11.246
  448   3HD1  LEU  56          HD13      LEU  56  15.589  12.600  12.153
  449   1HD2  LEU  56          HD21      LEU  56  15.638  16.003  10.754
  450   2HD2  LEU  56          HD22      LEU  56  15.467  15.032  12.223
  451   3HD2  LEU  56          HD23      LEU  56  17.047  15.145  11.412
  452    H    GLN  57           H        GLN  57  17.930  12.953   6.394
  453    HA   GLN  57           HA       GLN  57  16.644  14.838   4.549
  454   1HB   GLN  57          HB2       GLN  57  19.418  13.582   4.502
  455   2HB   GLN  57          HB3       GLN  57  18.803  14.817   3.385
  456   1HG   GLN  57          HG2       GLN  57  18.274  16.215   5.515
  457   2HG   GLN  57          HG3       GLN  57  19.325  15.081   6.366
  458   1HE2  GLN  57          HE22      GLN  57  21.634  14.979   5.675
  459   2HE2  GLN  57          HE21      GLN  57  22.332  16.343   4.798
  460    H    SER  58           H        SER  58  17.548  11.321   4.544
  461    HA   SER  58           HA       SER  58  16.711  10.867   1.833
  462   1HB   SER  58          HB2       SER  58  16.209   8.523   2.822
  463   2HB   SER  58          HB3       SER  58  17.884   9.084   2.826
  464    HG   SER  58           HG       SER  58  16.740   8.172   4.835
  465    H    ASN  59           H        ASN  59  14.967  10.839   5.000
  466    HA   ASN  59           HA       ASN  59  12.392  10.301   4.003
  467   1HB   ASN  59          HB2       ASN  59  12.641  10.268   6.341
  468   2HB   ASN  59          HB3       ASN  59  13.390  11.851   6.393
  469   1HD2  ASN  59          HD22      ASN  59  12.108  13.621   6.820
  470   2HD2  ASN  59          HD21      ASN  59  10.362  13.588   6.819
  471    H    ALA  60           H        ALA  60  13.952  13.522   4.350
  472    HA   ALA  60           HA       ALA  60  11.753  14.965   3.298
  473   1HB   ALA  60          HB1       ALA  60  13.647  16.028   4.475
  474   2HB   ALA  60          HB2       ALA  60  14.716  15.656   3.097
  475   3HB   ALA  60          HB3       ALA  60  13.353  16.777   2.894
  476    H    ALA  61           H        ALA  61  14.531  13.510   1.588
  477    HA   ALA  61           HA       ALA  61  13.785  14.423  -1.012
  478   1HB   ALA  61          HB1       ALA  61  16.041  13.566  -0.418
  479   2HB   ALA  61          HB2       ALA  61  15.367  11.926  -0.256
  480   3HB   ALA  61          HB3       ALA  61  15.328  12.755  -1.827
  481    H    LYS  62           H        LYS  62  12.979  11.422   0.779
  482    HA   LYS  62           HA       LYS  62  11.472  10.120  -1.236
  483   1HB   LYS  62          HB2       LYS  62  12.235   8.967   0.711
  484   2HB   LYS  62          HB3       LYS  62  11.426  10.058   1.805
  485   1HG   LYS  62          HG2       LYS  62   9.960   8.121  -0.023
  486   2HG   LYS  62          HG3       LYS  62  10.453   7.789   1.638
  487   1HD   LYS  62          HD2       LYS  62   9.106   9.946   2.260
  488   2HD   LYS  62          HD3       LYS  62   8.352   9.732   0.669
  489   1HE   LYS  62          HE2       LYS  62   7.838   7.318   1.420
  490   2HE   LYS  62          HE3       LYS  62   8.313   7.845   3.043
  491   1HZ   LYS  62          HZ1       LYS  62   5.972   8.153   2.852
  492   2HZ   LYS  62          HZ2       LYS  62   6.608   9.674   2.733
  493   3HZ   LYS  62          HZ3       LYS  62   6.095   8.901   1.392
  494    H    GLU  63           H        GLU  63  10.371  12.390   1.367
  495    HA   GLU  63           HA       GLU  63   7.667  12.453   0.543
  496   1HB   GLU  63          HB2       GLU  63   9.402  14.542   1.928
  497   2HB   GLU  63          HB3       GLU  63   7.665  14.719   1.725
  498   1HG   GLU  63          HG2       GLU  63   8.960  12.394   3.210
  499   2HG   GLU  63          HG3       GLU  63   8.411  13.876   3.975
  500    H    ALA  64           H        ALA  64  10.453  14.361  -0.557
  501    HA   ALA  64           HA       ALA  64   8.976  16.222  -2.126
  502   1HB   ALA  64          HB1       ALA  64  11.878  15.332  -2.330
  503   2HB   ALA  64          HB2       ALA  64  11.190  16.817  -3.020
  504   3HB   ALA  64          HB3       ALA  64  11.259  16.610  -1.255
  505    H    LEU  65           H        LEU  65  10.539  13.090  -3.016
  506    HA   LEU  65           HA       LEU  65   9.702  13.569  -5.844
  507   1HB   LEU  65          HB2       LEU  65  11.995  11.960  -4.682
  508   2HB   LEU  65          HB3       LEU  65  11.543  11.953  -6.383
  509    HG   LEU  65           HG       LEU  65  12.530  14.372  -4.834
  510   1HD1  LEU  65          HD11      LEU  65  13.820  12.676  -7.018
  511   2HD1  LEU  65          HD12      LEU  65  14.518  14.144  -6.301
  512   3HD1  LEU  65          HD13      LEU  65  14.270  12.699  -5.307
  513   1HD2  LEU  65          HD21      LEU  65  10.997  15.145  -6.591
  514   2HD2  LEU  65          HD22      LEU  65  12.658  15.474  -7.074
  515   3HD2  LEU  65          HD23      LEU  65  11.795  14.095  -7.785
  516    H    GLN  66           H        GLN  66   8.627  11.626  -3.261
  517    HA   GLN  66           HA       GLN  66   7.964   9.286  -4.761
  518   1HB   GLN  66          HB2       GLN  66   6.666  10.705  -2.421
  519   2HB   GLN  66          HB3       GLN  66   5.733   9.495  -3.306
  520   1HG   GLN  66          HG2       GLN  66   7.593   7.849  -2.989
  521   2HG   GLN  66          HG3       GLN  66   8.381   8.995  -1.907
  522   1HE2  GLN  66          HE22      GLN  66   7.188   6.236  -1.343
  523   2HE2  GLN  66          HE21      GLN  66   5.927   6.500  -0.171
  524    H    GLY  67           H        GLY  67   6.709   8.966  -6.467
  525   1HA   GLY  67          HA2       GLY  67   4.951   9.145  -7.922
  526   2HA   GLY  67          HA3       GLY  67   4.367  10.595  -7.095
  527    H    PHE  68           H        PHE  68   7.727  10.925  -7.857
  528    HA   PHE  68           HA       PHE  68   7.104  13.094  -9.666
  529   1HB   PHE  68          HB2       PHE  68   8.968  13.172  -8.058
  530   2HB   PHE  68          HB3       PHE  68   9.742  11.800  -8.845
  531    HD1  PHE  68           HD1      PHE  68   8.912  15.405  -9.131
  532    HD2  PHE  68           HD2      PHE  68  10.970  12.072 -10.944
  533    HE1  PHE  68           HE1      PHE  68  10.145  16.967 -10.614
  534    HE2  PHE  68           HE2      PHE  68  12.195  13.640 -12.424
  535    HZ   PHE  68           HZ       PHE  68  11.792  16.087 -12.260
  536    H    LYS  69           H        LYS  69   6.771  12.894 -11.837
  537    HA   LYS  69           HA       LYS  69   7.315  10.447 -13.317
  538   1HB   LYS  69          HB2       LYS  69   6.284  13.179 -14.010
  539   2HB   LYS  69          HB3       LYS  69   7.224  12.372 -15.264
  540   1HG   LYS  69          HG2       LYS  69   4.984  11.807 -15.677
  541   2HG   LYS  69          HG3       LYS  69   5.814  10.369 -15.103
  542   1HD   LYS  69          HD2       LYS  69   4.861  10.837 -12.788
  543   2HD   LYS  69          HD3       LYS  69   3.850  12.084 -13.524
  544   1HE   LYS  69          HE2       LYS  69   3.955   9.155 -14.402
  545   2HE   LYS  69          HE3       LYS  69   2.784   9.791 -13.232
  546   1HZ   LYS  69          HZ1       LYS  69   2.033  11.330 -15.041
  547   2HZ   LYS  69          HZ2       LYS  69   2.953  10.461 -16.105
  548   3HZ   LYS  69          HZ3       LYS  69   1.724   9.755 -15.314
  549    H    ILE  70           H        ILE  70   9.325   9.731 -13.510
  550    HA   ILE  70           HA       ILE  70  11.638  11.544 -13.832
  551    HB   ILE  70           HB       ILE  70  11.358   8.557 -14.244
  552   1HG1  ILE  70          HG12      ILE  70  12.756   9.978 -11.941
  553   2HG1  ILE  70          HG13      ILE  70  11.055   9.540 -11.847
  554   1HG2  ILE  70          HG21      ILE  70  13.868   8.597 -14.194
  555   2HG2  ILE  70          HG22      ILE  70  13.238   9.552 -15.540
  556   3HG2  ILE  70          HG23      ILE  70  13.819  10.367 -14.078
  557   1HD1  ILE  70          HD11      ILE  70  12.458   7.832 -10.805
  558   2HD1  ILE  70          HD12      ILE  70  11.546   7.187 -12.173
  559   3HD1  ILE  70          HD13      ILE  70  13.288   7.534 -12.334
  560    H    THR  71           H        THR  71   9.519   9.370 -15.838
  561    HA   THR  71           HA       THR  71   9.729  11.301 -18.031
  562    HB   THR  71           HB       THR  71   9.659   9.395 -19.651
  563    HG1  THR  71           HG1      THR  71  10.513   7.400 -18.871
  564   1HG2  THR  71          HG21      THR  71  12.044   8.908 -19.665
  565   2HG2  THR  71          HG22      THR  71  11.809  10.591 -19.169
  566   3HG2  THR  71          HG23      THR  71  12.191   9.353 -17.952
  567    HA   PRO  72           HA       PRO  72   5.540  11.609 -17.927
  568   1HB   PRO  72          HB2       PRO  72   5.182  10.206 -20.586
  569   2HB   PRO  72          HB3       PRO  72   4.383  11.698 -19.987
  570   1HG   PRO  72          HG2       PRO  72   6.530  11.910 -21.604
  571   2HG   PRO  72          HG3       PRO  72   6.432  12.940 -20.137
  572   1HD   PRO  72          HD2       PRO  72   8.003  10.404 -20.563
  573   2HD   PRO  72          HD3       PRO  72   8.493  11.912 -19.732
  574    H    THR  73           H        THR  73   6.416   8.226 -18.453
  575    HA   THR  73           HA       THR  73   3.822   7.360 -17.313
  576    HB   THR  73           HB       THR  73   4.414   5.226 -18.664
  577    HG1  THR  73           HG1      THR  73   5.876   5.516 -20.319
  578   1HG2  THR  73          HG21      THR  73   2.664   6.849 -19.370
  579   2HG2  THR  73          HG22      THR  73   3.892   7.789 -20.243
  580   3HG2  THR  73          HG23      THR  73   3.508   6.130 -20.749
  581    H    HIS  74           H        HIS  74   6.705   7.996 -16.115
  582    HA   HIS  74           HA       HIS  74   6.848   5.507 -14.476
  583   1HB   HIS  74          HB2       HIS  74   9.174   7.007 -15.718
  584   2HB   HIS  74          HB3       HIS  74   9.283   5.679 -14.557
  585    HD1  HIS  74           HD1      HIS  74   8.826   6.308 -18.222
  586    HD2  HIS  74           HD2      HIS  74   8.320   3.197 -15.437
  587    HE1  HIS  74           HE1      HIS  74   8.544   4.161 -19.586
  588    H    ALA  75           H        ALA  75   5.437   6.837 -13.186
  589    HA   ALA  75           HA       ALA  75   6.492   9.062 -11.647
  590   1HB   ALA  75          HB1       ALA  75   4.240   7.080 -11.053
  591   2HB   ALA  75          HB2       ALA  75   4.605   8.549 -10.128
  592   3HB   ALA  75          HB3       ALA  75   4.058   8.679 -11.802
  593    H    MET  76           H        MET  76   8.389   8.671 -10.662
  594    HA   MET  76           HA       MET  76   9.573   6.390  -9.697
  595   1HB   MET  76          HB2       MET  76  10.488   8.730  -9.862
  596   2HB   MET  76          HB3       MET  76   9.554   9.180  -8.443
  597   1HG   MET  76          HG2       MET  76  10.801   7.351  -7.181
  598   2HG   MET  76          HG3       MET  76  11.843   7.195  -8.596
  599   1HE   MET  76          HE1       MET  76  13.435  10.914  -8.614
  600   2HE   MET  76          HE2       MET  76  13.332   9.401  -9.531
  601   3HE   MET  76          HE3       MET  76  11.918  10.476  -9.426
  602    H    LYS  77           H        LYS  77   9.021   4.915  -8.133
  603    HA   LYS  77           HA       LYS  77   7.328   5.838  -5.834
  604   1HB   LYS  77          HB2       LYS  77   7.899   3.113  -7.022
  605   2HB   LYS  77          HB3       LYS  77   7.282   3.325  -5.375
  606   1HG   LYS  77          HG2       LYS  77   5.354   4.657  -6.416
  607   2HG   LYS  77          HG3       LYS  77   5.894   4.046  -7.987
  608   1HD   LYS  77          HD2       LYS  77   5.119   2.345  -5.569
  609   2HD   LYS  77          HD3       LYS  77   4.056   2.683  -6.939
  610   1HE   LYS  77          HE2       LYS  77   5.363   1.402  -8.448
  611   2HE   LYS  77          HE3       LYS  77   6.762   1.377  -7.366
  612   1HZ   LYS  77          HZ1       LYS  77   5.567  -0.730  -7.380
  613   2HZ   LYS  77          HZ2       LYS  77   5.610  -0.072  -5.887
  614   3HZ   LYS  77          HZ3       LYS  77   4.225  -0.019  -6.781
  615    H    ILE  78           H        ILE  78   8.229   5.556  -3.778
  616    HA   ILE  78           HA       ILE  78  11.087   4.818  -3.560
  617    HB   ILE  78           HB       ILE  78   9.907   7.317  -2.294
  618   1HG1  ILE  78          HG12      ILE  78  11.600   7.316  -4.825
  619   2HG1  ILE  78          HG13      ILE  78   9.892   7.737  -4.727
  620   1HG2  ILE  78          HG21      ILE  78  12.812   6.518  -2.679
  621   2HG2  ILE  78          HG22      ILE  78  12.211   7.898  -1.747
  622   3HG2  ILE  78          HG23      ILE  78  11.889   6.281  -1.179
  623   1HD1  ILE  78          HD11      ILE  78  10.454   9.606  -3.187
  624   2HD1  ILE  78          HD12      ILE  78  12.180   9.280  -3.464
  625   3HD1  ILE  78          HD13      ILE  78  11.146   9.750  -4.811
  626    H    THR  79           H        THR  79  11.470   3.838  -1.553
  627    HA   THR  79           HA       THR  79   9.519   4.067   0.625
  628    HB   THR  79           HB       THR  79  10.122   1.353   0.667
  629    HG1  THR  79           HG1      THR  79  10.800   1.650  -1.616
  630   1HG2  THR  79          HG21      THR  79   7.935   2.436   1.155
  631   2HG2  THR  79          HG22      THR  79   7.656   2.633  -0.589
  632   3HG2  THR  79          HG23      THR  79   7.767   1.011   0.134
  633    H    PHE  80           H        PHE  80  10.508   3.426   2.674
  634    HA   PHE  80           HA       PHE  80  13.337   4.039   2.859
  635   1HB   PHE  80          HB2       PHE  80  11.241   3.025   4.815
  636   2HB   PHE  80          HB3       PHE  80  12.898   3.349   5.281
  637    HD1  PHE  80           HD1      PHE  80  13.812   5.780   4.395
  638    HD2  PHE  80           HD2      PHE  80   9.695   4.773   5.213
  639    HE1  PHE  80           HE1      PHE  80  13.278   8.178   4.650
  640    HE2  PHE  80           HE2      PHE  80   9.168   7.176   5.488
  641    HZ   PHE  80           HZ       PHE  80  10.938   8.883   5.191
  642    H    ALA  81           H        ALA  81  15.013   2.659   2.682
  643    HA   ALA  81           HA       ALA  81  14.469  -0.220   2.244
  644   1HB   ALA  81          HB1       ALA  81  17.192   1.128   2.288
  645   2HB   ALA  81          HB2       ALA  81  16.741  -0.420   1.565
  646   3HB   ALA  81          HB3       ALA  81  16.158   1.078   0.839
  647    H    LYS  82           H        LYS  82  16.732  -1.347   3.421
  648    HA   LYS  82           HA       LYS  82  16.525  -0.859   6.327
  649   1HB   LYS  82          HB2       LYS  82  15.836  -3.514   4.986
  650   2HB   LYS  82          HB3       LYS  82  16.017  -3.270   6.726
  651   1HG   LYS  82          HG2       LYS  82  14.148  -1.655   6.735
  652   2HG   LYS  82          HG3       LYS  82  13.915  -1.869   5.006
  653   1HD   LYS  82          HD2       LYS  82  13.484  -3.977   7.130
  654   2HD   LYS  82          HD3       LYS  82  12.255  -3.141   6.185
  655   1HE   LYS  82          HE2       LYS  82  14.294  -5.153   5.139
  656   2HE   LYS  82          HE3       LYS  82  12.567  -5.413   5.371
  657   1HZ   LYS  82          HZ1       LYS  82  12.187  -3.651   3.662
  658   2HZ   LYS  82          HZ2       LYS  82  13.794  -3.611   3.369
  659   3HZ   LYS  82          HZ3       LYS  82  12.958  -4.977   3.085
  660    H    LYS  83           H        LYS  83  18.141  -2.383   7.452
  661    HA   LYS  83           HA       LYS  83  20.479  -3.076   5.786
  662   1HB   LYS  83          HB2       LYS  83  20.542  -1.274   8.252
  663   2HB   LYS  83          HB3       LYS  83  21.949  -2.039   7.512
  664   1HG   LYS  83          HG2       LYS  83  21.528  -0.781   5.398
  665   2HG   LYS  83          HG3       LYS  83  20.125  -0.008   6.147
  666   1HD   LYS  83          HD2       LYS  83  21.954   1.538   6.230
  667   2HD   LYS  83          HD3       LYS  83  21.607   0.998   7.878
  668   1HE   LYS  83          HE2       LYS  83  23.509  -0.614   7.739
  669   2HE   LYS  83          HE3       LYS  83  23.838  -0.080   6.085
  670   1HZ   LYS  83          HZ1       LYS  83  24.025   1.630   8.501
  671   2HZ   LYS  83          HZ2       LYS  83  25.284   1.001   7.685
  672   3HZ   LYS  83          HZ3       LYS  83  24.344   2.123   6.973
  Start of MODEL   13
    1   1H    ALA   1          H1        ALA   1   9.139  -7.658  -2.208
    2   2H    ALA   1          H2        ALA   1   7.936  -7.218  -1.193
    3   3H    ALA   1          H3        ALA   1   7.622  -8.230  -2.444
    4    HA   ALA   1           HA       ALA   1   8.108  -6.562  -4.046
    5   1HB   ALA   1          HB1       ALA   1   6.216  -5.021  -3.658
    6   2HB   ALA   1          HB2       ALA   1   5.774  -6.711  -3.375
    7   3HB   ALA   1          HB3       ALA   1   6.051  -5.627  -1.995
    8    H    GLN   2           H        GLN   2   7.601  -4.449  -1.151
    9    HA   GLN   2           HA       GLN   2  10.315  -3.400  -1.297
   10   1HB   GLN   2          HB2       GLN   2   9.580  -1.083  -1.652
   11   2HB   GLN   2          HB3       GLN   2   9.337  -2.105  -3.064
   12   1HG   GLN   2          HG2       GLN   2   6.883  -2.306  -2.357
   13   2HG   GLN   2          HG3       GLN   2   7.208  -1.036  -1.184
   14   1HE2  GLN   2          HE22      GLN   2   8.806   0.818  -2.579
   15   2HE2  GLN   2          HE21      GLN   2   8.120   1.225  -4.131
   16    H    THR   3           H        THR   3  10.886  -2.393   0.665
   17    HA   THR   3           HA       THR   3   9.264  -3.209   2.904
   18    HB   THR   3           HB       THR   3  11.320  -2.056   4.100
   19    HG1  THR   3           HG1      THR   3  12.245  -0.879   2.506
   20   1HG2  THR   3          HG21      THR   3  12.770  -3.994   3.586
   21   2HG2  THR   3          HG22      THR   3  11.095  -4.489   3.884
   22   3HG2  THR   3          HG23      THR   3  11.721  -4.430   2.222
   23    H    GLU   4           H        GLU   4   8.644  -1.747   4.698
   24    HA   GLU   4           HA       GLU   4   8.612   1.116   4.095
   25   1HB   GLU   4          HB2       GLU   4   6.392   0.179   3.293
   26   2HB   GLU   4          HB3       GLU   4   6.068  -0.337   4.956
   27   1HG   GLU   4          HG2       GLU   4   6.315   2.043   5.702
   28   2HG   GLU   4          HG3       GLU   4   6.638   2.520   4.031
   29    H    GLN   5           H        GLN   5   9.159   2.179   5.985
   30    HA   GLN   5           HA       GLN   5   9.219   0.797   8.584
   31   1HB   GLN   5          HB2       GLN   5  11.653   1.662   6.937
   32   2HB   GLN   5          HB3       GLN   5  11.746   1.280   8.644
   33   1HG   GLN   5          HG2       GLN   5  10.957  -0.731   6.494
   34   2HG   GLN   5          HG3       GLN   5  12.560  -0.496   7.144
   35   1HE2  GLN   5          HE22      GLN   5   9.246  -1.525   8.052
   36   2HE2  GLN   5          HE21      GLN   5   9.751  -2.455   9.456
   37    HA   PRO   6           HA       PRO   6   9.615   5.200   9.979
   38   1HB   PRO   6          HB2       PRO   6  11.942   4.106  11.559
   39   2HB   PRO   6          HB3       PRO   6  10.652   5.227  12.092
   40   1HG   PRO   6          HG2       PRO   6  10.575   2.613  12.811
   41   2HG   PRO   6          HG3       PRO   6   9.074   3.442  12.278
   42   1HD   PRO   6          HD2       PRO   6  10.890   1.628  10.674
   43   2HD   PRO   6          HD3       PRO   6   9.102   1.632  10.768
   44    HA   PRO   7           HA       PRO   7  12.688   6.818   7.309
   45   1HB   PRO   7          HB2       PRO   7  13.807   8.400   9.635
   46   2HB   PRO   7          HB3       PRO   7  13.489   8.946   7.958
   47   1HG   PRO   7          HG2       PRO   7  11.697   9.488   9.914
   48   2HG   PRO   7          HG3       PRO   7  11.121   8.904   8.318
   49   1HD   PRO   7          HD2       PRO   7  11.457   7.340  10.885
   50   2HD   PRO   7          HD3       PRO   7  10.137   7.276   9.677
   51    H    ASN   8           H        ASN   8  14.689   6.379   6.483
   52    HA   ASN   8           HA       ASN   8  16.913   5.457   8.169
   53   1HB   ASN   8          HB2       ASN   8  15.749   3.347   7.692
   54   2HB   ASN   8          HB3       ASN   8  15.595   3.786   5.987
   55   1HD2  ASN   8          HD22      ASN   8  16.803   2.137   5.068
   56   2HD2  ASN   8          HD21      ASN   8  18.533   1.960   5.335
   57    H    GLN   9           H        GLN   9  18.911   5.650   6.978
   58    HA   GLN   9           HA       GLN   9  18.881   7.865   5.109
   59   1HB   GLN   9          HB2       GLN   9  21.215   7.943   5.414
   60   2HB   GLN   9          HB3       GLN   9  20.495   7.621   6.985
   61   1HG   GLN   9          HG2       GLN   9  21.027   5.182   6.697
   62   2HG   GLN   9          HG3       GLN   9  21.840   5.564   5.169
   63   1HE2  GLN   9          HE22      GLN   9  23.512   7.564   5.470
   64   2HE2  GLN   9          HE21      GLN   9  24.575   7.349   6.844
   65    H    ILE  10           H        ILE  10  18.045   4.849   4.303
   66    HA   ILE  10           HA       ILE  10  19.347   5.008   1.671
   67    HB   ILE  10           HB       ILE  10  19.022   2.358   3.124
   68   1HG1  ILE  10          HG12      ILE  10  21.545   4.013   2.775
   69   2HG1  ILE  10          HG13      ILE  10  20.785   3.516   4.292
   70   1HG2  ILE  10          HG21      ILE  10  20.247   1.412   1.239
   71   2HG2  ILE  10          HG22      ILE  10  18.901   2.318   0.595
   72   3HG2  ILE  10          HG23      ILE  10  20.526   3.029   0.555
   73   1HD1  ILE  10          HD11      ILE  10  22.670   2.109   3.993
   74   2HD1  ILE  10          HD12      ILE  10  21.240   1.109   3.636
   75   3HD1  ILE  10          HD13      ILE  10  22.249   1.739   2.317
   76    H    LEU  11           H        LEU  11  17.937   4.492   0.067
   77    HA   LEU  11           HA       LEU  11  15.094   3.962   0.802
   78   1HB   LEU  11          HB2       LEU  11  16.196   5.811  -1.364
   79   2HB   LEU  11          HB3       LEU  11  14.495   5.504  -1.030
   80    HG   LEU  11           HG       LEU  11  16.435   6.917   0.857
   81   1HD1  LEU  11          HD11      LEU  11  15.192   8.950   0.282
   82   2HD1  LEU  11          HD12      LEU  11  15.935   8.237  -1.155
   83   3HD1  LEU  11          HD13      LEU  11  14.195   8.040  -0.867
   84   1HD2  LEU  11          HD21      LEU  11  14.316   7.523   2.089
   85   2HD2  LEU  11          HD22      LEU  11  13.444   6.358   1.071
   86   3HD2  LEU  11          HD23      LEU  11  14.743   5.811   2.157
   87    H    PHE  12           H        PHE  12  14.001   2.701  -0.664
   88    HA   PHE  12           HA       PHE  12  15.533   1.446  -2.892
   89   1HB   PHE  12          HB2       PHE  12  15.039  -0.266  -1.205
   90   2HB   PHE  12          HB3       PHE  12  13.357   0.255  -1.122
   91    HD1  PHE  12           HD1      PHE  12  15.838  -0.753  -3.794
   92    HD2  PHE  12           HD2      PHE  12  11.799  -1.037  -2.338
   93    HE1  PHE  12           HE1      PHE  12  15.329  -2.405  -5.559
   94    HE2  PHE  12           HE2      PHE  12  11.301  -2.738  -4.084
   95    HZ   PHE  12           HZ       PHE  12  13.057  -3.421  -5.699
   96    H    LEU  13           H        LEU  13  14.478   1.608  -4.832
   97    HA   LEU  13           HA       LEU  13  11.998   3.264  -4.895
   98   1HB   LEU  13          HB2       LEU  13  14.691   3.578  -6.281
   99   2HB   LEU  13          HB3       LEU  13  13.213   4.082  -7.065
  100    HG   LEU  13           HG       LEU  13  12.670   5.559  -5.125
  101   1HD1  LEU  13          HD11      LEU  13  13.987   4.765  -3.308
  102   2HD1  LEU  13          HD12      LEU  13  15.477   4.753  -4.267
  103   3HD1  LEU  13          HD13      LEU  13  14.733   6.293  -3.774
  104   1HD2  LEU  13          HD21      LEU  13  14.173   7.304  -5.896
  105   2HD2  LEU  13          HD22      LEU  13  15.294   6.105  -6.571
  106   3HD2  LEU  13          HD23      LEU  13  13.673   6.331  -7.270
  107    H    THR  14           H        THR  14  10.656   2.853  -6.600
  108    HA   THR  14           HA       THR  14  11.209   0.631  -8.469
  109    HB   THR  14           HB       THR  14   9.005  -0.381  -7.850
  110    HG1  THR  14           HG1      THR  14   8.008   0.188  -6.014
  111   1HG2  THR  14          HG21      THR  14  11.169  -1.268  -6.882
  112   2HG2  THR  14          HG22      THR  14  10.850  -0.295  -5.434
  113   3HG2  THR  14          HG23      THR  14   9.728  -1.588  -5.905
  114    H    ASN  15           H        ASN  15   9.134   0.400  -9.907
  115    HA   ASN  15           HA       ASN  15   7.942   1.208 -11.580
  116   1HB   ASN  15          HB2       ASN  15   6.490   1.879  -9.609
  117   2HB   ASN  15          HB3       ASN  15   7.169   3.501  -9.755
  118   1HD2  ASN  15          HD22      ASN  15   5.546   4.760 -10.596
  119   2HD2  ASN  15          HD21      ASN  15   4.481   4.287 -11.909
  120    H    LEU  16           H        LEU  16  10.714   1.997 -11.444
  121    HA   LEU  16           HA       LEU  16  10.937   4.749 -12.436
  122   1HB   LEU  16          HB2       LEU  16  13.058   2.587 -12.393
  123   2HB   LEU  16          HB3       LEU  16  13.312   4.315 -12.414
  124    HG   LEU  16           HG       LEU  16  12.255   2.691 -10.075
  125   1HD1  LEU  16          HD11      LEU  16  14.358   3.219  -9.026
  126   2HD1  LEU  16          HD12      LEU  16  14.641   2.391 -10.570
  127   3HD1  LEU  16          HD13      LEU  16  14.888   4.139 -10.458
  128   1HD2  LEU  16          HD21      LEU  16  13.021   5.634 -10.040
  129   2HD2  LEU  16          HD22      LEU  16  11.335   5.100 -10.263
  130   3HD2  LEU  16          HD23      LEU  16  12.177   4.699  -8.792
  131    HA   PRO  17           HA       PRO  17  10.896   3.971 -16.858
  132   1HB   PRO  17          HB2       PRO  17  13.812   4.656 -16.946
  133   2HB   PRO  17          HB3       PRO  17  12.486   5.200 -18.014
  134   1HG   PRO  17          HG2       PRO  17  13.474   6.763 -16.024
  135   2HG   PRO  17          HG3       PRO  17  11.724   6.745 -16.394
  136   1HD   PRO  17          HD2       PRO  17  13.150   5.496 -14.113
  137   2HD   PRO  17          HD3       PRO  17  11.489   6.131 -14.199
  138    H    GLU  18           H        GLU  18  11.638   2.420 -18.491
  139    HA   GLU  18           HA       GLU  18  13.014   0.036 -17.477
  140   1HB   GLU  18          HB2       GLU  18  12.026   0.812 -20.261
  141   2HB   GLU  18          HB3       GLU  18  12.708  -0.763 -19.828
  142   1HG   GLU  18          HG2       GLU  18  10.895  -1.074 -18.141
  143   2HG   GLU  18          HG3       GLU  18  10.160   0.441 -18.670
  144    H    GLU  19           H        GLU  19  14.202   2.989 -18.147
  145    HA   GLU  19           HA       GLU  19  16.684   2.032 -19.322
  146   1HB   GLU  19          HB2       GLU  19  15.239   4.582 -20.155
  147   2HB   GLU  19          HB3       GLU  19  16.702   3.907 -20.879
  148   1HG   GLU  19          HG2       GLU  19  15.324   1.904 -21.597
  149   2HG   GLU  19          HG3       GLU  19  13.883   2.762 -21.025
  150    H    THR  20           H        THR  20  15.619   3.143 -16.516
  151    HA   THR  20           HA       THR  20  16.902   5.589 -15.974
  152    HB   THR  20           HB       THR  20  16.818   3.441 -13.883
  153    HG1  THR  20           HG1      THR  20  14.857   2.992 -14.148
  154   1HG2  THR  20          HG21      THR  20  15.770   6.307 -13.950
  155   2HG2  THR  20          HG22      THR  20  15.860   5.250 -12.525
  156   3HG2  THR  20          HG23      THR  20  17.350   5.810 -13.302
  157    H    ASN  21           H        ASN  21  18.977   6.081 -15.278
  158    HA   ASN  21           HA       ASN  21  20.871   3.914 -14.838
  159   1HB   ASN  21          HB2       ASN  21  22.560   4.634 -16.258
  160   2HB   ASN  21          HB3       ASN  21  21.131   4.662 -17.275
  161   1HD2  ASN  21          HD22      ASN  21  20.318   6.764 -17.975
  162   2HD2  ASN  21          HD21      ASN  21  21.284   8.205 -17.785
  163    H    GLU  22           H        GLU  22  22.885   4.928 -13.782
  164    HA   GLU  22           HA       GLU  22  22.155   6.040 -11.373
  165   1HB   GLU  22          HB2       GLU  22  24.246   4.808 -11.990
  166   2HB   GLU  22          HB3       GLU  22  24.852   6.278 -12.762
  167   1HG   GLU  22          HG2       GLU  22  24.710   7.446 -10.547
  168   2HG   GLU  22          HG3       GLU  22  24.166   5.935  -9.811
  169    H    MET  23           H        MET  23  23.057   7.781 -14.310
  170    HA   MET  23           HA       MET  23  23.622  10.305 -13.129
  171   1HB   MET  23          HB2       MET  23  24.251   9.572 -15.429
  172   2HB   MET  23          HB3       MET  23  22.569   9.722 -15.931
  173   1HG   MET  23          HG2       MET  23  24.246  12.003 -14.825
  174   2HG   MET  23          HG3       MET  23  24.134  11.616 -16.532
  175   1HE   MET  23          HE1       MET  23  21.939  11.831 -18.008
  176   2HE   MET  23          HE2       MET  23  20.886  10.960 -16.865
  177   3HE   MET  23          HE3       MET  23  20.428  12.572 -17.440
  178    H    MET  24           H        MET  24  20.552   8.854 -14.238
  179    HA   MET  24           HA       MET  24  19.011  11.267 -14.226
  180   1HB   MET  24          HB2       MET  24  18.132   8.355 -13.814
  181   2HB   MET  24          HB3       MET  24  17.029   9.725 -13.964
  182   1HG   MET  24          HG2       MET  24  18.006  10.229 -16.191
  183   2HG   MET  24          HG3       MET  24  18.998   8.764 -16.048
  184   1HE   MET  24          HE1       MET  24  18.074   7.849 -18.367
  185   2HE   MET  24          HE2       MET  24  16.346   7.737 -18.763
  186   3HE   MET  24          HE3       MET  24  17.106   9.330 -18.547
  187    H    LEU  25           H        LEU  25  19.293   8.679 -11.783
  188    HA   LEU  25           HA       LEU  25  17.632  10.158  -9.942
  189   1HB   LEU  25          HB2       LEU  25  19.484   7.817  -9.349
  190   2HB   LEU  25          HB3       LEU  25  18.224   8.444  -8.293
  191    HG   LEU  25           HG       LEU  25  17.886   6.984 -10.941
  192   1HD1  LEU  25          HD11      LEU  25  18.290   5.613  -8.948
  193   2HD1  LEU  25          HD12      LEU  25  16.958   6.417  -8.098
  194   3HD1  LEU  25          HD13      LEU  25  16.629   5.403  -9.523
  195   1HD2  LEU  25          HD21      LEU  25  15.400   7.246 -10.541
  196   2HD2  LEU  25          HD22      LEU  25  15.795   8.506  -9.340
  197   3HD2  LEU  25          HD23      LEU  25  16.227   8.715 -11.058
  198    H    SER  26           H        SER  26  21.181   9.947 -10.462
  199    HA   SER  26           HA       SER  26  21.874  11.256  -8.001
  200   1HB   SER  26          HB2       SER  26  23.338  11.288 -10.674
  201   2HB   SER  26          HB3       SER  26  24.006  11.745  -9.093
  202    HG   SER  26           HG       SER  26  23.164   9.215 -10.033
  203    H    MET  27           H        MET  27  21.223  12.494 -11.325
  204    HA   MET  27           HA       MET  27  21.556  15.236 -10.747
  205   1HB   MET  27          HB2       MET  27  21.488  14.290 -13.001
  206   2HB   MET  27          HB3       MET  27  19.799  13.804 -12.782
  207   1HG   MET  27          HG2       MET  27  19.097  16.126 -12.652
  208   2HG   MET  27          HG3       MET  27  20.778  16.670 -12.671
  209   1HE   MET  27          HE1       MET  27  18.561  14.832 -16.328
  210   2HE   MET  27          HE2       MET  27  19.147  13.810 -15.002
  211   3HE   MET  27          HE3       MET  27  17.858  15.002 -14.705
  212    H    LEU  28           H        LEU  28  18.711  13.092 -10.297
  213    HA   LEU  28           HA       LEU  28  16.993  15.326  -9.574
  214   1HB   LEU  28          HB2       LEU  28  16.661  12.323  -9.278
  215   2HB   LEU  28          HB3       LEU  28  15.431  13.490  -8.794
  216    HG   LEU  28           HG       LEU  28  16.520  13.247 -11.630
  217   1HD1  LEU  28          HD11      LEU  28  15.232  11.243 -10.922
  218   2HD1  LEU  28          HD12      LEU  28  13.859  12.300 -10.506
  219   3HD1  LEU  28          HD13      LEU  28  14.413  12.163 -12.189
  220   1HD2  LEU  28          HD21      LEU  28  14.542  14.616 -12.245
  221   2HD2  LEU  28          HD22      LEU  28  14.187  14.856 -10.519
  222   3HD2  LEU  28          HD23      LEU  28  15.678  15.503 -11.244
  223    H    PHE  29           H        PHE  29  18.426  12.693  -7.570
  224    HA   PHE  29           HA       PHE  29  17.374  13.978  -5.192
  225   1HB   PHE  29          HB2       PHE  29  19.187  11.576  -5.629
  226   2HB   PHE  29          HB3       PHE  29  18.767  12.193  -4.036
  227    HD1  PHE  29           HD1      PHE  29  17.213  10.679  -7.090
  228    HD2  PHE  29           HD2      PHE  29  16.803  11.701  -2.927
  229    HE1  PHE  29           HE1      PHE  29  15.160   9.315  -6.948
  230    HE2  PHE  29           HE2      PHE  29  14.728  10.354  -2.791
  231    HZ   PHE  29           HZ       PHE  29  13.901   9.170  -4.809
  232    H    ASN  30           H        ASN  30  20.565  14.201  -6.819
  233    HA   ASN  30           HA       ASN  30  21.960  14.925  -4.468
  234   1HB   ASN  30          HB2       ASN  30  23.806  15.427  -5.728
  235   2HB   ASN  30          HB3       ASN  30  23.022  14.141  -6.618
  236   1HD2  ASN  30          HD22      ASN  30  24.912  15.548  -7.952
  237   2HD2  ASN  30          HD21      ASN  30  24.206  16.671  -9.084
  238    H    GLN  31           H        GLN  31  19.591  16.716  -6.059
  239    HA   GLN  31           HA       GLN  31  20.430  19.383  -5.610
  240   1HB   GLN  31          HB2       GLN  31  17.656  18.113  -5.569
  241   2HB   GLN  31          HB3       GLN  31  17.971  19.851  -5.605
  242   1HG   GLN  31          HG2       GLN  31  19.133  19.622  -7.779
  243   2HG   GLN  31          HG3       GLN  31  18.829  17.882  -7.774
  244   1HE2  GLN  31          HE22      GLN  31  16.512  17.164  -7.709
  245   2HE2  GLN  31          HE21      GLN  31  15.304  18.167  -8.502
  246    H    PHE  32           H        PHE  32  19.255  16.843  -3.394
  247    HA   PHE  32           HA       PHE  32  18.632  18.764  -1.279
  248   1HB   PHE  32          HB2       PHE  32  18.815  15.738  -1.142
  249   2HB   PHE  32          HB3       PHE  32  18.060  16.798   0.040
  250    HD1  PHE  32           HD1      PHE  32  16.186  18.483  -1.118
  251    HD2  PHE  32           HD2      PHE  32  17.379  14.620  -2.610
  252    HE1  PHE  32           HE1      PHE  32  14.121  18.362  -2.488
  253    HE2  PHE  32           HE2      PHE  32  15.321  14.501  -3.967
  254    HZ   PHE  32           HZ       PHE  32  13.711  16.385  -3.952
  255    HA   PRO  33           HA       PRO  33  22.879  18.802   0.042
  256   1HB   PRO  33          HB2       PRO  33  22.717  20.175   2.403
  257   2HB   PRO  33          HB3       PRO  33  22.311  20.901   0.827
  258   1HG   PRO  33          HG2       PRO  33  20.395  19.668   2.832
  259   2HG   PRO  33          HG3       PRO  33  20.297  21.283   2.060
  260   1HD   PRO  33          HD2       PRO  33  18.951  19.124   1.075
  261   2HD   PRO  33          HD3       PRO  33  19.656  20.364  -0.006
  262    H    GLY  34           H        GLY  34  21.441  16.289   0.586
  263   1HA   GLY  34          HA2       GLY  34  23.083  15.266   2.841
  264   2HA   GLY  34          HA3       GLY  34  21.337  14.953   2.815
  265    H    PHE  35           H        PHE  35  22.004  14.910  -0.410
  266    HA   PHE  35           HA       PHE  35  21.842  12.168  -0.834
  267   1HB   PHE  35          HB2       PHE  35  21.405  13.896  -2.494
  268   2HB   PHE  35          HB3       PHE  35  23.069  14.463  -2.419
  269    HD1  PHE  35           HD1      PHE  35  20.814  11.920  -3.748
  270    HD2  PHE  35           HD2      PHE  35  24.919  13.173  -3.501
  271    HE1  PHE  35           HE1      PHE  35  21.344  10.550  -5.745
  272    HE2  PHE  35           HE2      PHE  35  25.479  11.685  -5.423
  273    HZ   PHE  35           HZ       PHE  35  23.681  10.408  -6.564
  274    H    LYS  36           H        LYS  36  23.345  10.609  -1.241
  275    HA   LYS  36           HA       LYS  36  26.213  11.273  -0.833
  276   1HB   LYS  36          HB2       LYS  36  24.831  10.350   1.259
  277   2HB   LYS  36          HB3       LYS  36  25.165   8.788   0.494
  278   1HG   LYS  36          HG2       LYS  36  27.609   9.357   0.534
  279   2HG   LYS  36          HG3       LYS  36  27.215  10.948   1.198
  280   1HD   LYS  36          HD2       LYS  36  28.023   9.513   2.983
  281   2HD   LYS  36          HD3       LYS  36  26.341   9.960   3.245
  282   1HE   LYS  36          HE2       LYS  36  26.605   7.628   3.823
  283   2HE   LYS  36          HE3       LYS  36  25.610   7.750   2.377
  284   1HZ   LYS  36          HZ1       LYS  36  28.420   6.862   2.561
  285   2HZ   LYS  36          HZ2       LYS  36  27.121   6.059   1.938
  286   3HZ   LYS  36          HZ3       LYS  36  27.768   7.305   1.124
  287    H    GLU  37           H        GLU  37  23.905   8.658  -1.978
  288    HA   GLU  37           HA       GLU  37  25.657   8.309  -4.276
  289   1HB   GLU  37          HB2       GLU  37  26.782   6.994  -2.401
  290   2HB   GLU  37          HB3       GLU  37  25.376   5.940  -2.358
  291   1HG   GLU  37          HG2       GLU  37  25.855   5.033  -4.484
  292   2HG   GLU  37          HG3       GLU  37  26.859   6.407  -4.961
  293    H    VAL  38           H        VAL  38  24.788   6.674  -5.806
  294    HA   VAL  38           HA       VAL  38  21.967   5.804  -5.423
  295    HB   VAL  38           HB       VAL  38  23.284   7.098  -7.851
  296   1HG1  VAL  38          HG11      VAL  38  21.291   6.601  -9.172
  297   2HG1  VAL  38          HG12      VAL  38  22.067   5.106  -8.696
  298   3HG1  VAL  38          HG13      VAL  38  20.602   5.638  -7.837
  299   1HG2  VAL  38          HG21      VAL  38  21.426   8.642  -7.765
  300   2HG2  VAL  38          HG22      VAL  38  20.643   7.717  -6.467
  301   3HG2  VAL  38          HG23      VAL  38  22.171   8.557  -6.165
  302    H    ARG  39           H        ARG  39  21.623   3.714  -6.142
  303    HA   ARG  39           HA       ARG  39  23.867   2.199  -7.368
  304   1HB   ARG  39          HB2       ARG  39  22.352   1.327  -4.876
  305   2HB   ARG  39          HB3       ARG  39  23.504   0.343  -5.787
  306   1HG   ARG  39          HG2       ARG  39  25.295   2.009  -5.282
  307   2HG   ARG  39          HG3       ARG  39  24.126   2.970  -4.362
  308   1HD   ARG  39          HD2       ARG  39  23.777   1.006  -2.846
  309   2HD   ARG  39          HD3       ARG  39  25.129   0.200  -3.662
  310    HE   ARG  39           HE       ARG  39  26.470   2.304  -3.079
  311   1HH1  ARG  39          HH21      ARG  39  23.824   1.282  -0.882
  312   2HH1  ARG  39          HH22      ARG  39  24.386   2.348   0.388
  313   1HH2  ARG  39          HH11      ARG  39  27.132   3.530  -1.488
  314   2HH2  ARG  39          HH12      ARG  39  26.309   3.655   0.066
  315    H    LEU  40           H        LEU  40  22.772   2.268  -9.283
  316    HA   LEU  40           HA       LEU  40  19.980   1.608  -9.654
  317   1HB   LEU  40          HB2       LEU  40  22.125   2.717 -11.190
  318   2HB   LEU  40          HB3       LEU  40  21.791   1.185 -11.945
  319    HG   LEU  40           HG       LEU  40  20.588   2.877 -13.054
  320   1HD1  LEU  40          HD11      LEU  40  19.367   0.760 -12.838
  321   2HD1  LEU  40          HD12      LEU  40  18.495   1.408 -11.409
  322   3HD1  LEU  40          HD13      LEU  40  18.302   2.149 -12.997
  323   1HD2  LEU  40          HD21      LEU  40  19.285   3.694 -10.432
  324   2HD2  LEU  40          HD22      LEU  40  20.530   4.596 -11.318
  325   3HD2  LEU  40          HD23      LEU  40  18.940   4.369 -12.038
  326    H    VAL  41           H        VAL  41  19.454  -0.238 -11.131
  327    HA   VAL  41           HA       VAL  41  21.086  -2.692 -10.670
  328    HB   VAL  41           HB       VAL  41  18.070  -2.583 -10.910
  329   1HG1  VAL  41          HG11      VAL  41  19.129  -4.690 -11.717
  330   2HG1  VAL  41          HG12      VAL  41  20.009  -4.837 -10.181
  331   3HG1  VAL  41          HG13      VAL  41  18.240  -4.964 -10.217
  332   1HG2  VAL  41          HG21      VAL  41  19.815  -2.928  -8.431
  333   2HG2  VAL  41          HG22      VAL  41  18.637  -1.632  -8.740
  334   3HG2  VAL  41          HG23      VAL  41  18.077  -3.285  -8.497
  335    HA   PRO  42           HA       PRO  42  21.027  -1.297 -15.010
  336   1HB   PRO  42          HB2       PRO  42  23.635  -1.872 -15.726
  337   2HB   PRO  42          HB3       PRO  42  23.157  -0.454 -14.754
  338   1HG   PRO  42          HG2       PRO  42  24.103  -3.156 -13.738
  339   2HG   PRO  42          HG3       PRO  42  24.739  -1.531 -13.308
  340   1HD   PRO  42          HD2       PRO  42  22.917  -2.750 -11.738
  341   2HD   PRO  42          HD3       PRO  42  22.774  -0.995 -12.080
  342    H    ASN  43           H        ASN  43  20.118  -3.842 -14.056
  343    HA   ASN  43           HA       ASN  43  20.017  -5.185 -16.614
  344   1HB   ASN  43          HB2       ASN  43  20.154  -7.423 -15.722
  345   2HB   ASN  43          HB3       ASN  43  21.606  -6.553 -15.262
  346   1HD2  ASN  43          HD22      ASN  43  21.964  -6.091 -12.996
  347   2HD2  ASN  43          HD21      ASN  43  20.963  -6.795 -11.753
  348    H    ARG  44           H        ARG  44  18.387  -3.544 -14.255
  349    HA   ARG  44           HA       ARG  44  15.797  -4.802 -15.043
  350   1HB   ARG  44          HB2       ARG  44  16.848  -4.054 -12.303
  351   2HB   ARG  44          HB3       ARG  44  15.149  -3.882 -12.632
  352   1HG   ARG  44          HG2       ARG  44  16.641  -6.505 -13.022
  353   2HG   ARG  44          HG3       ARG  44  15.848  -6.051 -11.515
  354   1HD   ARG  44          HD2       ARG  44  14.448  -6.313 -14.202
  355   2HD   ARG  44          HD3       ARG  44  14.433  -7.530 -12.926
  356    HE   ARG  44           HE       ARG  44  13.215  -4.794 -12.826
  357   1HH1  ARG  44          HH21      ARG  44  13.327  -8.047 -11.384
  358   2HH1  ARG  44          HH22      ARG  44  11.926  -7.791 -10.414
  359   1HH2  ARG  44          HH11      ARG  44  11.375  -4.478 -11.662
  360   2HH2  ARG  44          HH12      ARG  44  10.782  -5.693 -10.561
  361    H    HIS  45           H        HIS  45  17.465  -1.948 -13.729
  362    HA   HIS  45           HA       HIS  45  17.258   0.204 -13.855
  363   1HB   HIS  45          HB2       HIS  45  15.511  -0.088 -16.313
  364   2HB   HIS  45          HB3       HIS  45  16.419   1.321 -15.807
  365    HD1  HIS  45           HD1      HIS  45  16.703  -0.622 -18.559
  366    HD2  HIS  45           HD2      HIS  45  19.305   0.066 -15.327
  367    HE1  HIS  45           HE1      HIS  45  19.046  -1.241 -19.377
  368    H    ASP  46           H        ASP  46  14.151  -1.524 -13.923
  369    HA   ASP  46           HA       ASP  46  12.541   0.807 -13.461
  370   1HB   ASP  46          HB2       ASP  46  10.698  -0.644 -13.432
  371   2HB   ASP  46          HB3       ASP  46  11.791  -1.280 -14.661
  372    H    ILE  47           H        ILE  47  14.535  -1.043 -11.409
  373    HA   ILE  47           HA       ILE  47  13.379   0.338  -9.111
  374    HB   ILE  47           HB       ILE  47  13.482  -1.416  -7.636
  375   1HG1  ILE  47          HG12      ILE  47  15.678  -2.314  -8.091
  376   2HG1  ILE  47          HG13      ILE  47  14.472  -3.558  -7.824
  377   1HG2  ILE  47          HG21      ILE  47  12.510  -2.816 -10.146
  378   2HG2  ILE  47          HG22      ILE  47  12.091  -3.216  -8.469
  379   3HG2  ILE  47          HG23      ILE  47  11.569  -1.677  -9.177
  380   1HD1  ILE  47          HD11      ILE  47  14.412  -4.068 -10.219
  381   2HD1  ILE  47          HD12      ILE  47  15.590  -2.762 -10.526
  382   3HD1  ILE  47          HD13      ILE  47  16.052  -4.175  -9.556
  383    H    ALA  48           H        ALA  48  15.020   0.758  -7.414
  384    HA   ALA  48           HA       ALA  48  17.856   0.557  -8.080
  385   1HB   ALA  48          HB1       ALA  48  18.206   2.998  -8.253
  386   2HB   ALA  48          HB2       ALA  48  17.090   2.482  -9.530
  387   3HB   ALA  48          HB3       ALA  48  16.465   3.282  -8.069
  388    H    PHE  49           H        PHE  49  19.119   1.942  -6.395
  389    HA   PHE  49           HA       PHE  49  17.578   2.380  -3.913
  390   1HB   PHE  49          HB2       PHE  49  20.337   1.129  -4.128
  391   2HB   PHE  49          HB3       PHE  49  19.582   1.637  -2.634
  392    HD1  PHE  49           HD1      PHE  49  19.212  -0.759  -5.507
  393    HD2  PHE  49           HD2      PHE  49  18.231   0.134  -1.396
  394    HE1  PHE  49           HE1      PHE  49  18.220  -3.019  -5.262
  395    HE2  PHE  49           HE2      PHE  49  17.311  -2.160  -1.131
  396    HZ   PHE  49           HZ       PHE  49  17.303  -3.738  -3.055
  397    H    VAL  50           H        VAL  50  18.423   4.084  -2.611
  398    HA   VAL  50           HA       VAL  50  20.513   5.830  -3.782
  399    HB   VAL  50           HB       VAL  50  17.784   6.834  -2.846
  400   1HG1  VAL  50          HG11      VAL  50  19.591   8.477  -2.532
  401   2HG1  VAL  50          HG12      VAL  50  20.100   8.273  -4.216
  402   3HG1  VAL  50          HG13      VAL  50  18.517   8.985  -3.839
  403   1HG2  VAL  50          HG21      VAL  50  18.784   6.564  -5.709
  404   2HG2  VAL  50          HG22      VAL  50  17.426   5.698  -4.974
  405   3HG2  VAL  50          HG23      VAL  50  17.320   7.441  -5.200
  406    H    GLU  51           H        GLU  51  21.608   7.043  -2.096
  407    HA   GLU  51           HA       GLU  51  20.973   6.244   0.695
  408   1HB   GLU  51          HB2       GLU  51  22.566   4.629  -0.118
  409   2HB   GLU  51          HB3       GLU  51  23.596   5.891  -0.807
  410   1HG   GLU  51          HG2       GLU  51  24.185   6.733   1.360
  411   2HG   GLU  51          HG3       GLU  51  22.993   5.712   2.172
  412    H    PHE  52           H        PHE  52  21.635   7.655   2.228
  413    HA   PHE  52           HA       PHE  52  22.410  10.401   1.397
  414   1HB   PHE  52          HB2       PHE  52  20.003   9.321   2.865
  415   2HB   PHE  52          HB3       PHE  52  20.643  10.856   3.373
  416    HD1  PHE  52           HD1      PHE  52  19.509   9.128   0.203
  417    HD2  PHE  52           HD2      PHE  52  19.968  12.819   2.379
  418    HE1  PHE  52           HE1      PHE  52  18.420  10.364  -1.647
  419    HE2  PHE  52           HE2      PHE  52  18.854  14.047   0.540
  420    HZ   PHE  52           HZ       PHE  52  18.140  12.832  -1.501
  421    H    THR  53           H        THR  53  22.998  11.712   3.213
  422    HA   THR  53           HA       THR  53  24.895  10.610   5.067
  423    HB   THR  53           HB       THR  53  23.465  13.299   4.836
  424    HG1  THR  53           HG1      THR  53  24.769  12.869   3.091
  425   1HG2  THR  53          HG21      THR  53  24.256  13.128   7.103
  426   2HG2  THR  53          HG22      THR  53  25.843  12.528   6.569
  427   3HG2  THR  53          HG23      THR  53  25.342  14.203   6.211
  428    H    THR  54           H        THR  54  21.510  11.873   5.444
  429    HA   THR  54           HA       THR  54  21.370  10.522   8.071
  430    HB   THR  54           HB       THR  54  20.025  12.861   8.500
  431    HG1  THR  54           HG1      THR  54  21.377  14.527   7.772
  432   1HG2  THR  54          HG21      THR  54  21.689  11.895   9.993
  433   2HG2  THR  54          HG22      THR  54  23.002  12.395   8.906
  434   3HG2  THR  54          HG23      THR  54  22.014  13.616   9.743
  435    H    GLU  55           H        GLU  55  19.470   9.948   8.770
  436    HA   GLU  55           HA       GLU  55  17.607   8.898   6.943
  437   1HB   GLU  55          HB2       GLU  55  17.085   9.468   9.888
  438   2HB   GLU  55          HB3       GLU  55  16.345   8.212   8.892
  439   1HG   GLU  55          HG2       GLU  55  18.597   7.122   8.681
  440   2HG   GLU  55          HG3       GLU  55  19.267   8.333   9.767
  441    H    LEU  56           H        LEU  56  17.555  11.941   8.755
  442    HA   LEU  56           HA       LEU  56  14.822  12.649   8.181
  443   1HB   LEU  56          HB2       LEU  56  17.297  14.120   9.127
  444   2HB   LEU  56          HB3       LEU  56  15.911  15.041   8.552
  445    HG   LEU  56           HG       LEU  56  14.431  13.981  10.197
  446   1HD1  LEU  56          HD11      LEU  56  15.507  11.816  10.580
  447   2HD1  LEU  56          HD12      LEU  56  16.950  12.615  11.251
  448   3HD1  LEU  56          HD13      LEU  56  15.394  12.696  12.102
  449   1HD2  LEU  56          HD21      LEU  56  16.944  15.207  11.415
  450   2HD2  LEU  56          HD22      LEU  56  15.577  16.103  10.715
  451   3HD2  LEU  56          HD23      LEU  56  15.337  15.134  12.175
  452    H    GLN  57           H        GLN  57  17.901  13.022   6.391
  453    HA   GLN  57           HA       GLN  57  16.667  14.937   4.547
  454   1HB   GLN  57          HB2       GLN  57  19.425  13.650   4.528
  455   2HB   GLN  57          HB3       GLN  57  18.838  14.895   3.406
  456   1HG   GLN  57          HG2       GLN  57  18.285  16.292   5.530
  457   2HG   GLN  57          HG3       GLN  57  19.305  15.144   6.400
  458   1HE2  GLN  57          HE22      GLN  57  21.629  15.033   5.772
  459   2HE2  GLN  57          HE21      GLN  57  22.361  16.397   4.928
  460    H    SER  58           H        SER  58  17.594  11.410   4.464
  461    HA   SER  58           HA       SER  58  16.683  11.021   1.774
  462   1HB   SER  58          HB2       SER  58  16.220   8.652   2.645
  463   2HB   SER  58          HB3       SER  58  17.886   9.223   2.719
  464    HG   SER  58           HG       SER  58  16.708   8.216   4.682
  465    H    ASN  59           H        ASN  59  14.959  10.954   4.962
  466    HA   ASN  59           HA       ASN  59  12.405  10.349   3.956
  467   1HB   ASN  59          HB2       ASN  59  12.766  10.381   6.337
  468   2HB   ASN  59          HB3       ASN  59  13.234  12.072   6.312
  469   1HD2  ASN  59          HD22      ASN  59  11.640  13.521   6.890
  470   2HD2  ASN  59          HD21      ASN  59   9.929  13.209   6.762
  471    H    ALA  60           H        ALA  60  13.851  13.615   4.360
  472    HA   ALA  60           HA       ALA  60  11.617  14.997   3.282
  473   1HB   ALA  60          HB1       ALA  60  13.416  16.111   4.533
  474   2HB   ALA  60          HB2       ALA  60  14.555  15.796   3.198
  475   3HB   ALA  60          HB3       ALA  60  13.161  16.871   2.950
  476    H    ALA  61           H        ALA  61  14.485  13.656   1.625
  477    HA   ALA  61           HA       ALA  61  13.800  14.579  -0.982
  478   1HB   ALA  61          HB1       ALA  61  16.036  13.723  -0.350
  479   2HB   ALA  61          HB2       ALA  61  15.364  12.081  -0.193
  480   3HB   ALA  61          HB3       ALA  61  15.355  12.897  -1.768
  481    H    LYS  62           H        LYS  62  12.940  11.550   0.756
  482    HA   LYS  62           HA       LYS  62  11.501  10.297  -1.345
  483   1HB   LYS  62          HB2       LYS  62  12.073   9.004   0.574
  484   2HB   LYS  62          HB3       LYS  62  11.358  10.160   1.683
  485   1HG   LYS  62          HG2       LYS  62   9.095   9.597   0.882
  486   2HG   LYS  62          HG3       LYS  62   9.783   8.404  -0.230
  487   1HD   LYS  62          HD2       LYS  62  10.596   7.054   1.583
  488   2HD   LYS  62          HD3       LYS  62  10.280   8.319   2.776
  489   1HE   LYS  62          HE2       LYS  62   8.064   7.065   1.112
  490   2HE   LYS  62          HE3       LYS  62   8.605   6.358   2.638
  491   1HZ   LYS  62          HZ1       LYS  62   6.692   7.854   2.908
  492   2HZ   LYS  62          HZ2       LYS  62   7.968   8.351   3.786
  493   3HZ   LYS  62          HZ3       LYS  62   7.568   9.152   2.427
  494    H    GLU  63           H        GLU  63  10.285  12.501   1.285
  495    HA   GLU  63           HA       GLU  63   7.644  12.521   0.260
  496   1HB   GLU  63          HB2       GLU  63   9.097  14.683   1.851
  497   2HB   GLU  63          HB3       GLU  63   7.355  14.612   1.589
  498   1HG   GLU  63          HG2       GLU  63   9.031  12.624   3.164
  499   2HG   GLU  63          HG3       GLU  63   7.900  13.790   3.804
  500    H    ALA  64           H        ALA  64  10.455  14.481  -0.623
  501    HA   ALA  64           HA       ALA  64   9.055  16.397  -2.206
  502   1HB   ALA  64          HB1       ALA  64  11.321  16.734  -1.264
  503   2HB   ALA  64          HB2       ALA  64  11.949  15.465  -2.344
  504   3HB   ALA  64          HB3       ALA  64  11.300  16.969  -3.026
  505    H    LEU  65           H        LEU  65  10.588  13.244  -3.076
  506    HA   LEU  65           HA       LEU  65   9.824  13.743  -5.922
  507   1HB   LEU  65          HB2       LEU  65  12.020  12.039  -4.706
  508   2HB   LEU  65          HB3       LEU  65  11.607  12.054  -6.415
  509    HG   LEU  65           HG       LEU  65  12.663  14.432  -4.852
  510   1HD1  LEU  65          HD11      LEU  65  14.671  14.108  -6.276
  511   2HD1  LEU  65          HD12      LEU  65  14.339  12.684  -5.276
  512   3HD1  LEU  65          HD13      LEU  65  13.923  12.664  -6.996
  513   1HD2  LEU  65          HD21      LEU  65  11.976  14.173  -7.817
  514   2HD2  LEU  65          HD22      LEU  65  11.204  15.264  -6.643
  515   3HD2  LEU  65          HD23      LEU  65  12.886  15.515  -7.095
  516    H    GLN  66           H        GLN  66   8.636  11.846  -3.363
  517    HA   GLN  66           HA       GLN  66   7.953   9.508  -4.851
  518   1HB   GLN  66          HB2       GLN  66   6.667  10.953  -2.521
  519   2HB   GLN  66          HB3       GLN  66   5.721   9.754  -3.408
  520   1HG   GLN  66          HG2       GLN  66   7.563   8.085  -3.084
  521   2HG   GLN  66          HG3       GLN  66   8.358   9.221  -1.999
  522   1HE2  GLN  66          HE22      GLN  66   7.191   6.480  -1.408
  523   2HE2  GLN  66          HE21      GLN  66   5.925   6.752  -0.242
  524    H    GLY  67           H        GLY  67   6.718   9.201  -6.549
  525   1HA   GLY  67          HA2       GLY  67   4.968   9.417  -8.022
  526   2HA   GLY  67          HA3       GLY  67   4.444  10.911  -7.241
  527    H    PHE  68           H        PHE  68   7.786  11.251  -7.875
  528    HA   PHE  68           HA       PHE  68   7.275  13.282  -9.828
  529   1HB   PHE  68          HB2       PHE  68   9.109  13.366  -8.171
  530   2HB   PHE  68          HB3       PHE  68   9.866  11.957  -8.910
  531    HD1  PHE  68           HD1      PHE  68  11.042  12.130 -11.070
  532    HD2  PHE  68           HD2      PHE  68   9.204  15.576  -9.230
  533    HE1  PHE  68           HE1      PHE  68  12.287  13.624 -12.608
  534    HE2  PHE  68           HE2      PHE  68  10.475  17.064 -10.754
  535    HZ   PHE  68           HZ       PHE  68  12.015  16.092 -12.452
  536    H    LYS  69           H        LYS  69   6.989  13.008 -11.984
  537    HA   LYS  69           HA       LYS  69   7.432  10.481 -13.343
  538   1HB   LYS  69          HB2       LYS  69   6.559  13.240 -14.158
  539   2HB   LYS  69          HB3       LYS  69   7.404  12.291 -15.378
  540   1HG   LYS  69          HG2       LYS  69   5.081  11.923 -15.660
  541   2HG   LYS  69          HG3       LYS  69   5.860  10.439 -15.130
  542   1HD   LYS  69          HD2       LYS  69   5.039  10.968 -12.769
  543   2HD   LYS  69          HD3       LYS  69   4.054  12.249 -13.482
  544   1HE   LYS  69          HE2       LYS  69   4.000   9.292 -14.280
  545   2HE   LYS  69          HE3       LYS  69   2.875  10.041 -13.134
  546   1HZ   LYS  69          HZ1       LYS  69   1.800   9.968 -15.207
  547   2HZ   LYS  69          HZ2       LYS  69   2.188  11.534 -15.004
  548   3HZ   LYS  69          HZ3       LYS  69   3.054  10.578 -16.036
  549    H    ILE  70           H        ILE  70   9.409   9.660 -13.495
  550    HA   ILE  70           HA       ILE  70  11.822  11.312 -13.889
  551    HB   ILE  70           HB       ILE  70  11.341   8.333 -14.197
  552   1HG1  ILE  70          HG12      ILE  70  12.806   9.815 -11.970
  553   2HG1  ILE  70          HG13      ILE  70  11.107   9.367 -11.860
  554   1HG2  ILE  70          HG21      ILE  70  13.847   8.205 -14.187
  555   2HG2  ILE  70          HG22      ILE  70  13.257   9.137 -15.567
  556   3HG2  ILE  70          HG23      ILE  70  13.920   9.978 -14.152
  557   1HD1  ILE  70          HD11      ILE  70  11.650   6.991 -12.113
  558   2HD1  ILE  70          HD12      ILE  70  13.389   7.383 -12.186
  559   3HD1  ILE  70          HD13      ILE  70  12.458   7.719 -10.724
  560    H    THR  71           H        THR  71   9.532   9.276 -15.812
  561    HA   THR  71           HA       THR  71   9.832  11.086 -18.098
  562    HB   THR  71           HB       THR  71   9.508   8.964 -19.571
  563    HG1  THR  71           HG1      THR  71  10.696   7.753 -17.327
  564   1HG2  THR  71          HG21      THR  71  12.225   9.285 -18.221
  565   2HG2  THR  71          HG22      THR  71  11.898   8.492 -19.778
  566   3HG2  THR  71          HG23      THR  71  11.633  10.235 -19.600
  567    HA   PRO  72           HA       PRO  72   5.699  11.572 -17.731
  568   1HB   PRO  72          HB2       PRO  72   4.427  10.837 -20.161
  569   2HB   PRO  72          HB3       PRO  72   5.148  12.408 -19.708
  570   1HG   PRO  72          HG2       PRO  72   6.397  10.120 -21.228
  571   2HG   PRO  72          HG3       PRO  72   6.542  11.881 -21.540
  572   1HD   PRO  72          HD2       PRO  72   8.520  10.570 -20.326
  573   2HD   PRO  72          HD3       PRO  72   8.027  12.162 -19.695
  574    H    THR  73           H        THR  73   6.400   8.217 -18.385
  575    HA   THR  73           HA       THR  73   3.784   7.452 -17.209
  576    HB   THR  73           HB       THR  73   4.151   5.318 -18.600
  577    HG1  THR  73           HG1      THR  73   6.257   5.488 -19.210
  578   1HG2  THR  73          HG21      THR  73   3.826   7.916 -20.170
  579   2HG2  THR  73          HG22      THR  73   3.284   6.295 -20.655
  580   3HG2  THR  73          HG23      THR  73   2.540   7.093 -19.260
  581    H    HIS  74           H        HIS  74   6.683   7.966 -16.070
  582    HA   HIS  74           HA       HIS  74   6.726   5.499 -14.408
  583   1HB   HIS  74          HB2       HIS  74   9.149   6.840 -15.651
  584   2HB   HIS  74          HB3       HIS  74   9.164   5.498 -14.509
  585    HD1  HIS  74           HD1      HIS  74   9.081   6.125 -18.159
  586    HD2  HIS  74           HD2      HIS  74   7.859   3.137 -15.455
  587    HE1  HIS  74           HE1      HIS  74   8.661   4.018 -19.550
  588    H    ALA  75           H        ALA  75   5.434   6.872 -13.101
  589    HA   ALA  75           HA       ALA  75   6.570   9.136 -11.674
  590   1HB   ALA  75          HB1       ALA  75   4.125   8.794 -11.781
  591   2HB   ALA  75          HB2       ALA  75   4.289   7.227 -10.961
  592   3HB   ALA  75          HB3       ALA  75   4.697   8.729 -10.113
  593    H    MET  76           H        MET  76   8.436   8.791 -10.639
  594    HA   MET  76           HA       MET  76   9.633   6.548  -9.616
  595   1HB   MET  76          HB2       MET  76  10.547   8.874  -9.787
  596   2HB   MET  76          HB3       MET  76   9.566   9.353  -8.405
  597   1HG   MET  76          HG2       MET  76  10.745   7.619  -7.036
  598   2HG   MET  76          HG3       MET  76  11.793   7.284  -8.417
  599   1HE   MET  76          HE1       MET  76  12.221  10.390  -9.563
  600   2HE   MET  76          HE2       MET  76  13.732  10.771  -8.712
  601   3HE   MET  76          HE3       MET  76  13.514   9.174  -9.451
  602    H    LYS  77           H        LYS  77   9.060   5.064  -8.060
  603    HA   LYS  77           HA       LYS  77   7.260   5.949  -5.863
  604   1HB   LYS  77          HB2       LYS  77   6.554   4.119  -7.497
  605   2HB   LYS  77          HB3       LYS  77   7.885   3.143  -6.867
  606   1HG   LYS  77          HG2       LYS  77   6.880   3.254  -4.612
  607   2HG   LYS  77          HG3       LYS  77   5.583   4.296  -5.250
  608   1HD   LYS  77          HD2       LYS  77   5.000   2.415  -6.876
  609   2HD   LYS  77          HD3       LYS  77   6.172   1.406  -6.014
  610   1HE   LYS  77          HE2       LYS  77   4.804   2.117  -3.879
  611   2HE   LYS  77          HE3       LYS  77   3.552   2.571  -5.054
  612   1HZ   LYS  77          HZ1       LYS  77   3.265   0.298  -4.266
  613   2HZ   LYS  77          HZ2       LYS  77   3.623   0.259  -5.858
  614   3HZ   LYS  77          HZ3       LYS  77   4.778  -0.113  -4.743
  615    H    ILE  78           H        ILE  78   8.096   5.640  -3.759
  616    HA   ILE  78           HA       ILE  78  10.967   4.901  -3.524
  617    HB   ILE  78           HB       ILE  78   9.731   7.394  -2.311
  618   1HG1  ILE  78          HG12      ILE  78  11.469   7.329  -4.807
  619   2HG1  ILE  78          HG13      ILE  78   9.760   7.759  -4.742
  620   1HG2  ILE  78          HG21      ILE  78  11.693   6.452  -1.100
  621   2HG2  ILE  78          HG22      ILE  78  12.652   6.601  -2.586
  622   3HG2  ILE  78          HG23      ILE  78  12.024   8.032  -1.755
  623   1HD1  ILE  78          HD11      ILE  78  12.056   9.333  -3.536
  624   2HD1  ILE  78          HD12      ILE  78  11.001   9.772  -4.878
  625   3HD1  ILE  78          HD13      ILE  78  10.337   9.672  -3.241
  626    H    THR  79           H        THR  79  11.447   3.997  -1.560
  627    HA   THR  79           HA       THR  79   9.509   3.894   0.656
  628    HB   THR  79           HB       THR  79  10.347   1.283   0.477
  629    HG1  THR  79           HG1      THR  79  11.108   1.879  -1.779
  630   1HG2  THR  79          HG21      THR  79   8.009   2.108   0.825
  631   2HG2  THR  79          HG22      THR  79   7.867   2.388  -0.927
  632   3HG2  THR  79          HG23      THR  79   8.106   0.742  -0.286
  633    H    PHE  80           H        PHE  80  10.668   3.175   2.674
  634    HA   PHE  80           HA       PHE  80  13.506   3.917   2.629
  635   1HB   PHE  80          HB2       PHE  80  11.682   2.886   4.832
  636   2HB   PHE  80          HB3       PHE  80  13.390   3.243   5.050
  637    HD1  PHE  80           HD1      PHE  80  10.101   4.646   5.172
  638    HD2  PHE  80           HD2      PHE  80  14.221   5.636   4.362
  639    HE1  PHE  80           HE1      PHE  80   9.605   7.039   5.558
  640    HE2  PHE  80           HE2      PHE  80  13.707   8.041   4.683
  641    HZ   PHE  80           HZ       PHE  80  11.386   8.738   5.287
  642    H    ALA  81           H        ALA  81  15.178   2.532   2.545
  643    HA   ALA  81           HA       ALA  81  14.686  -0.361   2.121
  644   1HB   ALA  81          HB1       ALA  81  17.272   1.251   2.085
  645   2HB   ALA  81          HB2       ALA  81  17.083  -0.442   1.593
  646   3HB   ALA  81          HB3       ALA  81  16.311   0.835   0.648
  647    H    LYS  82           H        LYS  82  16.741  -1.568   3.433
  648    HA   LYS  82           HA       LYS  82  16.640  -0.684   6.279
  649   1HB   LYS  82          HB2       LYS  82  16.061  -3.469   5.170
  650   2HB   LYS  82          HB3       LYS  82  16.488  -3.148   6.856
  651   1HG   LYS  82          HG2       LYS  82  14.535  -1.659   7.098
  652   2HG   LYS  82          HG3       LYS  82  14.096  -1.925   5.410
  653   1HD   LYS  82          HD2       LYS  82  12.683  -3.288   6.828
  654   2HD   LYS  82          HD3       LYS  82  13.706  -4.301   5.826
  655   1HE   LYS  82          HE2       LYS  82  13.487  -5.205   8.076
  656   2HE   LYS  82          HE3       LYS  82  15.167  -4.821   7.706
  657   1HZ   LYS  82          HZ1       LYS  82  13.389  -3.046   9.298
  658   2HZ   LYS  82          HZ2       LYS  82  14.424  -4.134   9.952
  659   3HZ   LYS  82          HZ3       LYS  82  15.005  -2.879   9.095
  660    H    LYS  83           H        LYS  83  18.622  -0.611   7.127
  661    HA   LYS  83           HA       LYS  83  20.975  -1.547   5.656
  662   1HB   LYS  83          HB2       LYS  83  20.603  -0.294   8.419
  663   2HB   LYS  83          HB3       LYS  83  22.164  -0.809   7.757
  664   1HG   LYS  83          HG2       LYS  83  21.815   0.654   5.788
  665   2HG   LYS  83          HG3       LYS  83  20.322   1.278   6.491
  666   1HD   LYS  83          HD2       LYS  83  23.117   1.533   7.689
  667   2HD   LYS  83          HD3       LYS  83  22.278   2.787   6.763
  668   1HE   LYS  83          HE2       LYS  83  20.514   2.938   8.462
  669   2HE   LYS  83          HE3       LYS  83  21.228   1.602   9.373
  670   1HZ   LYS  83          HZ1       LYS  83  22.564   4.219   8.916
  671   2HZ   LYS  83          HZ2       LYS  83  21.831   3.752  10.302
  672   3HZ   LYS  83          HZ3       LYS  83  23.165   2.972   9.792
  Start of MODEL   14
    1   1H    ALA   1          H1        ALA   1   5.404  -7.017  -2.457
    2   2H    ALA   1          H2        ALA   1   4.780  -7.409  -0.999
    3   3H    ALA   1          H3        ALA   1   3.788  -7.260  -2.303
    4    HA   ALA   1           HA       ALA   1   4.257  -4.930  -2.475
    5   1HB   ALA   1          HB1       ALA   1   3.364  -5.725   0.337
    6   2HB   ALA   1          HB2       ALA   1   3.128  -4.141  -0.428
    7   3HB   ALA   1          HB3       ALA   1   2.316  -5.569  -1.093
    8    H    GLN   2           H        GLN   2   5.717  -3.313  -2.175
    9    HA   GLN   2           HA       GLN   2   8.230  -3.813  -0.974
   10   1HB   GLN   2          HB2       GLN   2   8.688  -1.436  -1.392
   11   2HB   GLN   2          HB3       GLN   2   7.995  -2.266  -2.777
   12   1HG   GLN   2          HG2       GLN   2   5.710  -1.250  -2.016
   13   2HG   GLN   2          HG3       GLN   2   6.681  -0.171  -1.014
   14   1HE2  GLN   2          HE22      GLN   2   8.675   0.886  -2.431
   15   2HE2  GLN   2          HE21      GLN   2   8.233   1.269  -4.085
   16    H    THR   3           H        THR   3   8.940  -3.700   1.083
   17    HA   THR   3           HA       THR   3   7.068  -3.336   3.220
   18    HB   THR   3           HB       THR   3   9.318  -3.763   4.518
   19    HG1  THR   3           HG1      THR   3  10.858  -4.777   3.083
   20   1HG2  THR   3          HG21      THR   3   7.602  -5.507   4.076
   21   2HG2  THR   3          HG22      THR   3   8.312  -5.806   2.475
   22   3HG2  THR   3          HG23      THR   3   9.241  -6.160   3.950
   23    H    GLU   4           H        GLU   4   7.529  -1.919   5.137
   24    HA   GLU   4           HA       GLU   4   8.815   0.672   4.431
   25   1HB   GLU   4          HB2       GLU   4   6.101   0.217   5.744
   26   2HB   GLU   4          HB3       GLU   4   6.961   1.762   5.730
   27   1HG   GLU   4          HG2       GLU   4   6.927   1.773   3.250
   28   2HG   GLU   4          HG3       GLU   4   6.030   0.253   3.249
   29    H    GLN   5           H        GLN   5   9.385   1.889   6.423
   30    HA   GLN   5           HA       GLN   5   9.785   0.427   8.916
   31   1HB   GLN   5          HB2       GLN   5  12.031   1.240   6.996
   32   2HB   GLN   5          HB3       GLN   5  12.317   1.055   8.718
   33   1HG   GLN   5          HG2       GLN   5  11.442  -1.163   6.845
   34   2HG   GLN   5          HG3       GLN   5  13.048  -0.889   7.506
   35   1HE2  GLN   5          HE22      GLN   5   9.835  -2.099   8.212
   36   2HE2  GLN   5          HE21      GLN   5  10.243  -2.837   9.757
   37    HA   PRO   6           HA       PRO   6  10.193   4.796  10.360
   38   1HB   PRO   6          HB2       PRO   6  12.647   3.730  11.757
   39   2HB   PRO   6          HB3       PRO   6  11.365   4.802  12.399
   40   1HG   PRO   6          HG2       PRO   6  11.404   2.170  13.054
   41   2HG   PRO   6          HG3       PRO   6   9.852   2.971  12.645
   42   1HD   PRO   6          HD2       PRO   6  11.599   1.245  10.876
   43   2HD   PRO   6          HD3       PRO   6   9.823   1.201  11.091
   44    HA   PRO   7           HA       PRO   7  13.026   6.481   7.488
   45   1HB   PRO   7          HB2       PRO   7  14.183   8.209   9.683
   46   2HB   PRO   7          HB3       PRO   7  13.703   8.678   8.020
   47   1HG   PRO   7          HG2       PRO   7  12.038   9.164  10.101
   48   2HG   PRO   7          HG3       PRO   7  11.384   8.511   8.563
   49   1HD   PRO   7          HD2       PRO   7  11.998   7.027  11.126
   50   2HD   PRO   7          HD3       PRO   7  10.598   6.866  10.023
   51    H    ASN   8           H        ASN   8  15.029   6.239   6.577
   52    HA   ASN   8           HA       ASN   8  17.362   5.365   8.150
   53   1HB   ASN   8          HB2       ASN   8  16.277   3.216   7.613
   54   2HB   ASN   8          HB3       ASN   8  16.022   3.727   5.949
   55   1HD2  ASN   8          HD22      ASN   8  17.224   2.109   4.954
   56   2HD2  ASN   8          HD21      ASN   8  18.977   2.042   5.087
   57    H    GLN   9           H        GLN   9  19.299   5.808   6.954
   58    HA   GLN   9           HA       GLN   9  19.070   8.013   5.083
   59   1HB   GLN   9          HB2       GLN   9  21.417   8.247   5.333
   60   2HB   GLN   9          HB3       GLN   9  20.731   7.937   6.916
   61   1HG   GLN   9          HG2       GLN   9  21.449   5.537   6.740
   62   2HG   GLN   9          HG3       GLN   9  22.193   5.893   5.177
   63   1HE2  GLN   9          HE22      GLN   9  23.801   7.879   5.240
   64   2HE2  GLN   9          HE21      GLN   9  24.876   7.896   6.620
   65    H    ILE  10           H        ILE  10  18.261   5.119   4.198
   66    HA   ILE  10           HA       ILE  10  19.615   5.212   1.611
   67    HB   ILE  10           HB       ILE  10  19.348   2.555   3.051
   68   1HG1  ILE  10          HG12      ILE  10  21.906   4.185   2.882
   69   2HG1  ILE  10          HG13      ILE  10  20.990   3.834   4.350
   70   1HG2  ILE  10          HG21      ILE  10  20.984   3.349   0.600
   71   2HG2  ILE  10          HG22      ILE  10  20.757   1.704   1.231
   72   3HG2  ILE  10          HG23      ILE  10  19.400   2.553   0.530
   73   1HD1  ILE  10          HD11      ILE  10  22.503   1.817   2.677
   74   2HD1  ILE  10          HD12      ILE  10  22.847   2.364   4.320
   75   3HD1  ILE  10          HD13      ILE  10  21.398   1.391   4.012
   76    H    LEU  11           H        LEU  11  18.182   4.583   0.022
   77    HA   LEU  11           HA       LEU  11  15.359   4.037   0.827
   78   1HB   LEU  11          HB2       LEU  11  16.397   5.879  -1.364
   79   2HB   LEU  11          HB3       LEU  11  14.706   5.537  -1.013
   80    HG   LEU  11           HG       LEU  11  16.625   7.015   0.834
   81   1HD1  LEU  11          HD11      LEU  11  14.299   8.033  -0.842
   82   2HD1  LEU  11          HD12      LEU  11  15.286   8.992   0.275
   83   3HD1  LEU  11          HD13      LEU  11  16.022   8.300  -1.175
   84   1HD2  LEU  11          HD21      LEU  11  13.671   6.310   1.120
   85   2HD2  LEU  11          HD22      LEU  11  15.021   5.860   2.190
   86   3HD2  LEU  11          HD23      LEU  11  14.486   7.541   2.103
   87    H    PHE  12           H        PHE  12  14.177   2.879  -0.738
   88    HA   PHE  12           HA       PHE  12  15.679   1.552  -2.936
   89   1HB   PHE  12          HB2       PHE  12  15.294  -0.144  -1.224
   90   2HB   PHE  12          HB3       PHE  12  13.615   0.363  -1.036
   91    HD1  PHE  12           HD1      PHE  12  16.008  -0.902  -3.642
   92    HD2  PHE  12           HD2      PHE  12  11.900  -0.668  -2.364
   93    HE1  PHE  12           HE1      PHE  12  15.378  -2.543  -5.385
   94    HE2  PHE  12           HE2      PHE  12  11.273  -2.330  -4.092
   95    HZ   PHE  12           HZ       PHE  12  13.009  -3.273  -5.611
   96    H    LEU  13           H        LEU  13  14.622   1.805  -4.855
   97    HA   LEU  13           HA       LEU  13  12.031   3.273  -4.813
   98   1HB   LEU  13          HB2       LEU  13  14.541   3.836  -6.437
   99   2HB   LEU  13          HB3       LEU  13  12.935   4.408  -6.868
  100    HG   LEU  13           HG       LEU  13  12.760   5.733  -4.801
  101   1HD1  LEU  13          HD11      LEU  13  14.999   6.234  -3.631
  102   2HD1  LEU  13          HD12      LEU  13  14.185   4.735  -3.202
  103   3HD1  LEU  13          HD13      LEU  13  15.577   4.688  -4.304
  104   1HD2  LEU  13          HD21      LEU  13  13.549   6.688  -6.921
  105   2HD2  LEU  13          HD22      LEU  13  14.414   7.417  -5.568
  106   3HD2  LEU  13          HD23      LEU  13  15.219   6.194  -6.560
  107    H    THR  14           H        THR  14  10.823   3.029  -6.701
  108    HA   THR  14           HA       THR  14  11.267   0.648  -8.409
  109    HB   THR  14           HB       THR  14   8.723   0.196  -7.639
  110    HG1  THR  14           HG1      THR  14   9.958   1.308  -5.343
  111   1HG2  THR  14          HG21      THR  14  11.224  -0.702  -6.184
  112   2HG2  THR  14          HG22      THR  14   9.601  -1.341  -5.819
  113   3HG2  THR  14          HG23      THR  14  10.291  -1.560  -7.427
  114    H    ASN  15           H        ASN  15   9.335   0.445  -9.955
  115    HA   ASN  15           HA       ASN  15   8.324   1.202 -11.771
  116   1HB   ASN  15          HB2       ASN  15   6.609   1.809 -10.032
  117   2HB   ASN  15          HB3       ASN  15   7.234   3.462 -10.069
  118   1HD2  ASN  15          HD22      ASN  15   5.826   4.725 -11.281
  119   2HD2  ASN  15          HD21      ASN  15   4.975   4.176 -12.722
  120    H    LEU  16           H        LEU  16  11.007   2.002 -11.474
  121    HA   LEU  16           HA       LEU  16  11.324   4.754 -12.423
  122   1HB   LEU  16          HB2       LEU  16  13.295   2.449 -12.448
  123   2HB   LEU  16          HB3       LEU  16  13.683   4.149 -12.585
  124    HG   LEU  16           HG       LEU  16  12.596   2.762 -10.098
  125   1HD1  LEU  16          HD11      LEU  16  15.333   3.945 -10.667
  126   2HD1  LEU  16          HD12      LEU  16  14.777   3.129  -9.181
  127   3HD1  LEU  16          HD13      LEU  16  14.939   2.222 -10.701
  128   1HD2  LEU  16          HD21      LEU  16  13.049   4.904  -8.958
  129   2HD2  LEU  16          HD22      LEU  16  13.540   5.630 -10.486
  130   3HD2  LEU  16          HD23      LEU  16  11.843   5.132 -10.224
  131    HA   PRO  17           HA       PRO  17  11.083   3.944 -16.843
  132   1HB   PRO  17          HB2       PRO  17  13.820   5.053 -17.188
  133   2HB   PRO  17          HB3       PRO  17  12.288   5.541 -17.961
  134   1HG   PRO  17          HG2       PRO  17  13.597   6.885 -15.888
  135   2HG   PRO  17          HG3       PRO  17  11.859   7.071 -16.273
  136   1HD   PRO  17          HD2       PRO  17  13.091   5.744 -13.978
  137   2HD   PRO  17          HD3       PRO  17  11.397   6.192 -14.236
  138    H    GLU  18           H        GLU  18  11.828   2.357 -18.339
  139    HA   GLU  18           HA       GLU  18  13.645   0.302 -17.412
  140   1HB   GLU  18          HB2       GLU  18  12.403   0.847 -20.145
  141   2HB   GLU  18          HB3       GLU  18  13.321  -0.606 -19.725
  142   1HG   GLU  18          HG2       GLU  18  11.678  -1.119 -17.921
  143   2HG   GLU  18          HG3       GLU  18  10.713   0.274 -18.415
  144    H    GLU  19           H        GLU  19  14.316   3.371 -18.493
  145    HA   GLU  19           HA       GLU  19  16.876   2.632 -19.655
  146   1HB   GLU  19          HB2       GLU  19  16.714   4.683 -20.985
  147   2HB   GLU  19          HB3       GLU  19  15.301   3.659 -21.234
  148   1HG   GLU  19          HG2       GLU  19  13.958   5.071 -19.740
  149   2HG   GLU  19          HG3       GLU  19  15.357   6.084 -19.388
  150    H    THR  20           H        THR  20  15.900   3.371 -16.706
  151    HA   THR  20           HA       THR  20  17.155   5.852 -16.055
  152    HB   THR  20           HB       THR  20  16.726   3.529 -14.132
  153    HG1  THR  20           HG1      THR  20  14.766   3.658 -15.032
  154   1HG2  THR  20          HG21      THR  20  17.778   5.642 -13.234
  155   2HG2  THR  20          HG22      THR  20  16.376   6.557 -13.842
  156   3HG2  THR  20          HG23      THR  20  16.168   5.347 -12.561
  157    H    ASN  21           H        ASN  21  19.175   6.284 -15.235
  158    HA   ASN  21           HA       ASN  21  21.068   4.109 -14.737
  159   1HB   ASN  21          HB2       ASN  21  21.649   4.783 -17.011
  160   2HB   ASN  21          HB3       ASN  21  21.594   6.485 -16.570
  161   1HD2  ASN  21          HD22      ASN  21  23.715   7.167 -16.824
  162   2HD2  ASN  21          HD21      ASN  21  25.073   6.421 -16.025
  163    H    GLU  22           H        GLU  22  22.904   5.091 -13.376
  164    HA   GLU  22           HA       GLU  22  21.763   6.328 -11.107
  165   1HB   GLU  22          HB2       GLU  22  24.700   6.139 -11.911
  166   2HB   GLU  22          HB3       GLU  22  24.085   6.486 -10.275
  167   1HG   GLU  22          HG2       GLU  22  22.888   4.338 -10.276
  168   2HG   GLU  22          HG3       GLU  22  23.554   3.978 -11.886
  169    H    MET  23           H        MET  23  23.245   7.740 -13.906
  170    HA   MET  23           HA       MET  23  23.824  10.338 -12.971
  171   1HB   MET  23          HB2       MET  23  24.445   9.412 -15.186
  172   2HB   MET  23          HB3       MET  23  22.771   9.533 -15.719
  173   1HG   MET  23          HG2       MET  23  24.462  11.885 -14.780
  174   2HG   MET  23          HG3       MET  23  24.376  11.367 -16.454
  175   1HE   MET  23          HE1       MET  23  22.371  11.733 -18.083
  176   2HE   MET  23          HE2       MET  23  21.318  10.751 -17.040
  177   3HE   MET  23          HE3       MET  23  20.781  12.351 -17.586
  178    H    MET  24           H        MET  24  20.720   9.011 -14.167
  179    HA   MET  24           HA       MET  24  19.285  11.464 -14.157
  180   1HB   MET  24          HB2       MET  24  18.278   8.584 -13.841
  181   2HB   MET  24          HB3       MET  24  17.244   9.995 -14.028
  182   1HG   MET  24          HG2       MET  24  17.382   9.006 -16.127
  183   2HG   MET  24          HG3       MET  24  18.363  10.473 -16.218
  184   1HE   MET  24          HE1       MET  24  19.204   9.491 -18.582
  185   2HE   MET  24          HE2       MET  24  19.993   7.907 -18.757
  186   3HE   MET  24          HE3       MET  24  18.270   7.996 -18.333
  187    H    LEU  25           H        LEU  25  19.433   8.848 -11.728
  188    HA   LEU  25           HA       LEU  25  17.705  10.303  -9.920
  189   1HB   LEU  25          HB2       LEU  25  19.546   7.945  -9.378
  190   2HB   LEU  25          HB3       LEU  25  18.343   8.575  -8.253
  191    HG   LEU  25           HG       LEU  25  17.847   7.218 -10.931
  192   1HD1  LEU  25          HD11      LEU  25  18.350   5.719  -9.054
  193   2HD1  LEU  25          HD12      LEU  25  17.092   6.493  -8.067
  194   3HD1  LEU  25          HD13      LEU  25  16.652   5.571  -9.521
  195   1HD2  LEU  25          HD21      LEU  25  15.394   7.449 -10.331
  196   2HD2  LEU  25          HD22      LEU  25  15.870   8.655  -9.113
  197   3HD2  LEU  25          HD23      LEU  25  16.179   8.941 -10.845
  198    H    SER  26           H        SER  26  21.263  10.115 -10.315
  199    HA   SER  26           HA       SER  26  21.868  11.441  -7.843
  200   1HB   SER  26          HB2       SER  26  23.420  11.507 -10.470
  201   2HB   SER  26          HB3       SER  26  24.033  11.956  -8.868
  202    HG   SER  26           HG       SER  26  23.213   9.421  -9.821
  203    H    MET  27           H        MET  27  21.269  12.632 -11.178
  204    HA   MET  27           HA       MET  27  21.580  15.385 -10.639
  205   1HB   MET  27          HB2       MET  27  21.514  14.409 -12.883
  206   2HB   MET  27          HB3       MET  27  19.825  13.933 -12.663
  207   1HG   MET  27          HG2       MET  27  19.140  16.268 -12.531
  208   2HG   MET  27          HG3       MET  27  20.827  16.792 -12.577
  209   1HE   MET  27          HE1       MET  27  19.125  13.932 -14.865
  210   2HE   MET  27          HE2       MET  27  17.861  15.147 -14.557
  211   3HE   MET  27          HE3       MET  27  18.538  14.954 -16.189
  212    H    LEU  28           H        LEU  28  18.669  13.265 -10.319
  213    HA   LEU  28           HA       LEU  28  16.964  15.458  -9.550
  214   1HB   LEU  28          HB2       LEU  28  16.680  12.453  -9.199
  215   2HB   LEU  28          HB3       LEU  28  15.433  13.607  -8.735
  216    HG   LEU  28           HG       LEU  28  16.500  13.280 -11.567
  217   1HD1  LEU  28          HD11      LEU  28  13.857  12.378 -10.355
  218   2HD1  LEU  28          HD12      LEU  28  14.368  12.185 -12.048
  219   3HD1  LEU  28          HD13      LEU  28  15.220  11.310 -10.769
  220   1HD2  LEU  28          HD21      LEU  28  14.518  14.632 -12.215
  221   2HD2  LEU  28          HD22      LEU  28  14.178  14.935 -10.496
  222   3HD2  LEU  28          HD23      LEU  28  15.664  15.554 -11.255
  223    H    PHE  29           H        PHE  29  18.509  12.894  -7.536
  224    HA   PHE  29           HA       PHE  29  17.348  14.113  -5.175
  225   1HB   PHE  29          HB2       PHE  29  19.196  11.748  -5.611
  226   2HB   PHE  29          HB3       PHE  29  18.756  12.350  -4.015
  227    HD1  PHE  29           HD1      PHE  29  17.154  10.996  -7.152
  228    HD2  PHE  29           HD2      PHE  29  16.814  11.734  -2.922
  229    HE1  PHE  29           HE1      PHE  29  15.057   9.690  -7.085
  230    HE2  PHE  29           HE2      PHE  29  14.708  10.435  -2.862
  231    HZ   PHE  29           HZ       PHE  29  13.825   9.429  -4.956
  232    H    ASN  30           H        ASN  30  20.583  14.415  -6.710
  233    HA   ASN  30           HA       ASN  30  21.910  15.295  -4.377
  234   1HB   ASN  30          HB2       ASN  30  23.090  14.572  -6.358
  235   2HB   ASN  30          HB3       ASN  30  22.509  15.990  -7.253
  236   1HD2  ASN  30          HD22      ASN  30  24.160  17.497  -7.458
  237   2HD2  ASN  30          HD21      ASN  30  25.343  17.846  -6.228
  238    H    GLN  31           H        GLN  31  19.413  16.896  -6.093
  239    HA   GLN  31           HA       GLN  31  20.027  19.622  -5.643
  240   1HB   GLN  31          HB2       GLN  31  17.361  18.145  -5.638
  241   2HB   GLN  31          HB3       GLN  31  17.536  19.903  -5.647
  242   1HG   GLN  31          HG2       GLN  31  18.749  19.798  -7.805
  243   2HG   GLN  31          HG3       GLN  31  18.569  18.042  -7.832
  244   1HE2  GLN  31          HE22      GLN  31  16.268  17.191  -7.719
  245   2HE2  GLN  31          HE21      GLN  31  15.019  18.106  -8.558
  246    H    PHE  32           H        PHE  32  19.006  17.032  -3.403
  247    HA   PHE  32           HA       PHE  32  18.338  18.950  -1.287
  248   1HB   PHE  32          HB2       PHE  32  18.604  15.933  -1.106
  249   2HB   PHE  32          HB3       PHE  32  17.802  16.998   0.039
  250    HD1  PHE  32           HD1      PHE  32  15.861  18.564  -1.137
  251    HD2  PHE  32           HD2      PHE  32  17.256  14.767  -2.623
  252    HE1  PHE  32           HE1      PHE  32  13.836  18.362  -2.559
  253    HE2  PHE  32           HE2      PHE  32  15.243  14.571  -4.033
  254    HZ   PHE  32           HZ       PHE  32  13.554  16.381  -4.050
  255    HA   PRO  33           HA       PRO  33  22.613  19.095  -0.090
  256   1HB   PRO  33          HB2       PRO  33  22.490  20.460   2.276
  257   2HB   PRO  33          HB3       PRO  33  21.991  21.174   0.721
  258   1HG   PRO  33          HG2       PRO  33  20.207  19.853   2.793
  259   2HG   PRO  33          HG3       PRO  33  20.017  21.472   2.045
  260   1HD   PRO  33          HD2       PRO  33  18.713  19.277   1.083
  261   2HD   PRO  33          HD3       PRO  33  19.337  20.552  -0.009
  262    H    GLY  34           H        GLY  34  21.340  16.526   0.441
  263   1HA   GLY  34          HA2       GLY  34  23.031  15.545   2.668
  264   2HA   GLY  34          HA3       GLY  34  21.284  15.237   2.721
  265    H    PHE  35           H        PHE  35  21.892  15.110  -0.566
  266    HA   PHE  35           HA       PHE  35  21.698  12.300  -0.780
  267   1HB   PHE  35          HB2       PHE  35  21.012  13.802  -2.529
  268   2HB   PHE  35          HB3       PHE  35  22.590  14.590  -2.543
  269    HD1  PHE  35           HD1      PHE  35  24.518  13.617  -3.693
  270    HD2  PHE  35           HD2      PHE  35  20.700  11.611  -3.663
  271    HE1  PHE  35           HE1      PHE  35  25.254  12.157  -5.571
  272    HE2  PHE  35           HE2      PHE  35  21.409  10.236  -5.587
  273    HZ   PHE  35           HZ       PHE  35  23.686  10.506  -6.531
  274    H    LYS  36           H        LYS  36  23.259  10.817  -1.377
  275    HA   LYS  36           HA       LYS  36  26.107  11.616  -1.100
  276   1HB   LYS  36          HB2       LYS  36  24.782  10.517   1.000
  277   2HB   LYS  36          HB3       LYS  36  25.302   9.036   0.185
  278   1HG   LYS  36          HG2       LYS  36  27.659   9.875   0.270
  279   2HG   LYS  36          HG3       LYS  36  27.085  11.399   0.962
  280   1HD   LYS  36          HD2       LYS  36  28.028  10.004   2.725
  281   2HD   LYS  36          HD3       LYS  36  26.309  10.288   2.978
  282   1HE   LYS  36          HE2       LYS  36  26.793   7.975   3.509
  283   2HE   LYS  36          HE3       LYS  36  25.785   8.045   2.069
  284   1HZ   LYS  36          HZ1       LYS  36  27.414   6.518   1.553
  285   2HZ   LYS  36          HZ2       LYS  36  27.990   7.844   0.812
  286   3HZ   LYS  36          HZ3       LYS  36  28.651   7.375   2.238
  287    H    GLU  37           H        GLU  37  23.836   8.971  -2.228
  288    HA   GLU  37           HA       GLU  37  25.517   8.630  -4.574
  289   1HB   GLU  37          HB2       GLU  37  26.058   7.030  -2.188
  290   2HB   GLU  37          HB3       GLU  37  25.442   5.965  -3.425
  291   1HG   GLU  37          HG2       GLU  37  27.793   7.865  -3.827
  292   2HG   GLU  37          HG3       GLU  37  27.924   6.187  -3.337
  293    H    VAL  38           H        VAL  38  24.755   6.694  -5.905
  294    HA   VAL  38           HA       VAL  38  21.969   5.800  -5.398
  295    HB   VAL  38           HB       VAL  38  23.156   6.638  -8.083
  296   1HG1  VAL  38          HG11      VAL  38  20.337   5.652  -7.446
  297   2HG1  VAL  38          HG12      VAL  38  20.903   6.260  -9.014
  298   3HG1  VAL  38          HG13      VAL  38  21.559   4.768  -8.390
  299   1HG2  VAL  38          HG21      VAL  38  21.435   8.398  -8.113
  300   2HG2  VAL  38          HG22      VAL  38  20.923   7.939  -6.470
  301   3HG2  VAL  38          HG23      VAL  38  22.544   8.604  -6.774
  302    H    ARG  39           H        ARG  39  21.610   3.641  -6.203
  303    HA   ARG  39           HA       ARG  39  23.868   2.198  -7.447
  304   1HB   ARG  39          HB2       ARG  39  24.130   1.703  -5.108
  305   2HB   ARG  39          HB3       ARG  39  22.439   1.297  -4.918
  306   1HG   ARG  39          HG2       ARG  39  24.180  -0.289  -6.843
  307   2HG   ARG  39          HG3       ARG  39  24.285  -0.547  -5.102
  308   1HD   ARG  39          HD2       ARG  39  21.751  -0.891  -5.101
  309   2HD   ARG  39          HD3       ARG  39  21.846  -1.026  -6.853
  310    HE   ARG  39           HE       ARG  39  22.759  -2.899  -4.806
  311   1HH1  ARG  39          HH11      ARG  39  22.930  -2.140  -8.293
  312   2HH1  ARG  39          HH12      ARG  39  23.668  -3.652  -8.696
  313   1HH2  ARG  39          HH21      ARG  39  23.624  -4.924  -5.391
  314   2HH2  ARG  39          HH22      ARG  39  23.990  -5.288  -7.031
  315    H    LEU  40           H        LEU  40  22.894   1.991  -9.396
  316    HA   LEU  40           HA       LEU  40  20.022   1.429  -9.698
  317   1HB   LEU  40          HB2       LEU  40  22.253   2.231 -11.415
  318   2HB   LEU  40          HB3       LEU  40  21.549   0.795 -12.069
  319    HG   LEU  40           HG       LEU  40  20.597   2.788 -13.057
  320   1HD1  LEU  40          HD11      LEU  40  18.487   1.367 -11.383
  321   2HD1  LEU  40          HD12      LEU  40  18.248   2.242 -12.899
  322   3HD1  LEU  40          HD13      LEU  40  19.218   0.766 -12.899
  323   1HD2  LEU  40          HD21      LEU  40  19.189   4.363 -11.855
  324   2HD2  LEU  40          HD22      LEU  40  19.470   3.518 -10.323
  325   3HD2  LEU  40          HD23      LEU  40  20.805   4.335 -11.147
  326    H    VAL  41           H        VAL  41  19.482  -0.503 -11.087
  327    HA   VAL  41           HA       VAL  41  21.124  -2.912 -10.457
  328    HB   VAL  41           HB       VAL  41  18.101  -2.794 -10.642
  329   1HG1  VAL  41          HG11      VAL  41  19.057  -4.942 -11.395
  330   2HG1  VAL  41          HG12      VAL  41  20.032  -5.048  -9.910
  331   3HG1  VAL  41          HG13      VAL  41  18.265  -5.149  -9.835
  332   1HG2  VAL  41          HG21      VAL  41  19.915  -3.065  -8.200
  333   2HG2  VAL  41          HG22      VAL  41  18.753  -1.759  -8.530
  334   3HG2  VAL  41          HG23      VAL  41  18.169  -3.387  -8.198
  335    HA   PRO  42           HA       PRO  42  20.941  -1.663 -14.829
  336   1HB   PRO  42          HB2       PRO  42  23.540  -2.134 -15.606
  337   2HB   PRO  42          HB3       PRO  42  23.065  -0.755 -14.577
  338   1HG   PRO  42          HG2       PRO  42  24.088  -3.468 -13.664
  339   2HG   PRO  42          HG3       PRO  42  24.722  -1.846 -13.219
  340   1HD   PRO  42          HD2       PRO  42  22.955  -3.143 -11.628
  341   2HD   PRO  42          HD3       PRO  42  22.834  -1.374 -11.881
  342    H    ASN  43           H        ASN  43  20.106  -4.193 -13.813
  343    HA   ASN  43           HA       ASN  43  20.097  -5.665 -16.306
  344   1HB   ASN  43          HB2       ASN  43  20.145  -7.837 -15.259
  345   2HB   ASN  43          HB3       ASN  43  21.585  -6.954 -14.781
  346   1HD2  ASN  43          HD21      ASN  43  21.931  -6.584 -12.541
  347   2HD2  ASN  43          HD22      ASN  43  20.806  -7.096 -11.311
  348    H    ARG  44           H        ARG  44  18.359  -3.971 -13.936
  349    HA   ARG  44           HA       ARG  44  15.849  -5.045 -15.114
  350   1HB   ARG  44          HB2       ARG  44  16.570  -4.777 -12.207
  351   2HB   ARG  44          HB3       ARG  44  14.988  -4.199 -12.694
  352   1HG   ARG  44          HG2       ARG  44  14.579  -6.438 -13.833
  353   2HG   ARG  44          HG3       ARG  44  16.090  -7.002 -13.108
  354   1HD   ARG  44          HD2       ARG  44  14.217  -7.722 -11.757
  355   2HD   ARG  44          HD3       ARG  44  15.149  -6.522 -10.843
  356    HE   ARG  44           HE       ARG  44  13.237  -4.982 -12.081
  357   1HH1  ARG  44          HH21      ARG  44  13.015  -7.843  -9.974
  358   2HH1  ARG  44          HH22      ARG  44  11.483  -7.398  -9.319
  359   1HH2  ARG  44          HH11      ARG  44  11.243  -4.397 -11.249
  360   2HH2  ARG  44          HH12      ARG  44  10.438  -5.393 -10.073
  361    H    HIS  45           H        HIS  45  17.535  -2.303 -13.619
  362    HA   HIS  45           HA       HIS  45  17.379  -0.140 -13.719
  363   1HB   HIS  45          HB2       HIS  45  15.937  -0.525 -16.358
  364   2HB   HIS  45          HB3       HIS  45  16.594   0.989 -15.760
  365    HD1  HIS  45           HD1      HIS  45  19.159   1.418 -16.173
  366    HD2  HIS  45           HD2      HIS  45  17.810  -2.481 -17.031
  367    HE1  HIS  45           HE1      HIS  45  21.086   0.227 -17.341
  368    H    ASP  46           H        ASP  46  14.250  -1.762 -13.838
  369    HA   ASP  46           HA       ASP  46  12.688   0.615 -13.439
  370   1HB   ASP  46          HB2       ASP  46  10.829  -0.759 -13.392
  371   2HB   ASP  46          HB3       ASP  46  11.918  -1.556 -14.521
  372    H    ILE  47           H        ILE  47  14.717  -1.059 -11.310
  373    HA   ILE  47           HA       ILE  47  13.526   0.371  -9.065
  374    HB   ILE  47           HB       ILE  47  13.641  -1.338  -7.531
  375   1HG1  ILE  47          HG12      ILE  47  15.839  -2.258  -7.972
  376   2HG1  ILE  47          HG13      ILE  47  14.630  -3.492  -7.675
  377   1HG2  ILE  47          HG21      ILE  47  11.747  -1.626  -9.108
  378   2HG2  ILE  47          HG22      ILE  47  12.683  -2.826  -9.992
  379   3HG2  ILE  47          HG23      ILE  47  12.230  -3.136  -8.304
  380   1HD1  ILE  47          HD11      ILE  47  16.195  -4.158  -9.398
  381   2HD1  ILE  47          HD12      ILE  47  14.556  -4.055 -10.049
  382   3HD1  ILE  47          HD13      ILE  47  15.735  -2.772 -10.412
  383    H    ALA  48           H        ALA  48  15.141   0.844  -7.378
  384    HA   ALA  48           HA       ALA  48  17.982   0.563  -7.986
  385   1HB   ALA  48          HB1       ALA  48  16.689   3.335  -8.027
  386   2HB   ALA  48          HB2       ALA  48  18.418   2.981  -8.191
  387   3HB   ALA  48          HB3       ALA  48  17.301   2.493  -9.475
  388    H    PHE  49           H        PHE  49  19.212   2.024  -6.329
  389    HA   PHE  49           HA       PHE  49  17.652   2.453  -3.858
  390   1HB   PHE  49          HB2       PHE  49  20.466   1.322  -4.081
  391   2HB   PHE  49          HB3       PHE  49  19.711   1.825  -2.587
  392    HD1  PHE  49           HD1      PHE  49  19.284  -0.612  -5.443
  393    HD2  PHE  49           HD2      PHE  49  18.575   0.253  -1.272
  394    HE1  PHE  49           HE1      PHE  49  18.385  -2.898  -5.138
  395    HE2  PHE  49           HE2      PHE  49  17.733  -2.069  -0.951
  396    HZ   PHE  49           HZ       PHE  49  17.642  -3.645  -2.874
  397    H    VAL  50           H        VAL  50  18.459   4.254  -2.619
  398    HA   VAL  50           HA       VAL  50  20.477   6.016  -3.900
  399    HB   VAL  50           HB       VAL  50  17.785   6.981  -2.844
  400   1HG1  VAL  50          HG11      VAL  50  20.016   8.469  -4.297
  401   2HG1  VAL  50          HG12      VAL  50  18.438   9.147  -3.848
  402   3HG1  VAL  50          HG13      VAL  50  19.578   8.655  -2.591
  403   1HG2  VAL  50          HG21      VAL  50  17.432   5.834  -5.002
  404   2HG2  VAL  50          HG22      VAL  50  17.204   7.575  -5.162
  405   3HG2  VAL  50          HG23      VAL  50  18.707   6.814  -5.745
  406    H    GLU  51           H        GLU  51  21.611   7.299  -2.282
  407    HA   GLU  51           HA       GLU  51  21.267   6.346   0.520
  408   1HB   GLU  51          HB2       GLU  51  22.881   4.928  -0.656
  409   2HB   GLU  51          HB3       GLU  51  23.794   6.348  -1.187
  410   1HG   GLU  51          HG2       GLU  51  24.374   6.917   1.085
  411   2HG   GLU  51          HG3       GLU  51  23.319   5.660   1.742
  412    H    PHE  52           H        PHE  52  21.859   7.801   2.063
  413    HA   PHE  52           HA       PHE  52  22.425  10.603   1.243
  414   1HB   PHE  52          HB2       PHE  52  20.083   9.354   2.652
  415   2HB   PHE  52          HB3       PHE  52  20.643  10.878   3.278
  416    HD1  PHE  52           HD1      PHE  52  19.893  12.878   2.393
  417    HD2  PHE  52           HD2      PHE  52  19.636   9.311  -0.010
  418    HE1  PHE  52           HE1      PHE  52  18.743  14.164   0.613
  419    HE2  PHE  52           HE2      PHE  52  18.525  10.607  -1.801
  420    HZ   PHE  52           HZ       PHE  52  18.117  13.042  -1.511
  421    H    THR  53           H        THR  53  22.908  11.944   3.082
  422    HA   THR  53           HA       THR  53  24.904  10.966   4.906
  423    HB   THR  53           HB       THR  53  23.302  13.557   4.681
  424    HG1  THR  53           HG1      THR  53  24.604  13.196   2.921
  425   1HG2  THR  53          HG21      THR  53  25.141  14.589   6.022
  426   2HG2  THR  53          HG22      THR  53  24.130  13.460   6.935
  427   3HG2  THR  53          HG23      THR  53  25.744  12.950   6.390
  428    H    THR  54           H        THR  54  21.449  12.036   5.338
  429    HA   THR  54           HA       THR  54  21.411  10.652   7.952
  430    HB   THR  54           HB       THR  54  20.017  12.928   8.474
  431    HG1  THR  54           HG1      THR  54  21.234  14.668   7.721
  432   1HG2  THR  54          HG21      THR  54  23.024  12.594   8.756
  433   2HG2  THR  54          HG22      THR  54  22.010  13.745   9.659
  434   3HG2  THR  54          HG23      THR  54  21.779  12.004   9.876
  435    H    GLU  55           H        GLU  55  19.497  10.129   8.725
  436    HA   GLU  55           HA       GLU  55  17.716   8.955   6.876
  437   1HB   GLU  55          HB2       GLU  55  17.092   9.459   9.816
  438   2HB   GLU  55          HB3       GLU  55  16.485   8.189   8.768
  439   1HG   GLU  55          HG2       GLU  55  17.998   6.959   9.907
  440   2HG   GLU  55          HG3       GLU  55  19.061   7.501   8.620
  441    H    LEU  56           H        LEU  56  17.506  11.991   8.678
  442    HA   LEU  56           HA       LEU  56  14.732  12.533   8.064
  443   1HB   LEU  56          HB2       LEU  56  17.092  14.197   9.016
  444   2HB   LEU  56          HB3       LEU  56  15.604  14.975   8.512
  445    HG   LEU  56           HG       LEU  56  15.698  14.762  10.915
  446   1HD1  LEU  56          HD11      LEU  56  13.492  13.881  11.334
  447   2HD1  LEU  56          HD12      LEU  56  13.490  14.701   9.766
  448   3HD1  LEU  56          HD13      LEU  56  13.516  12.924   9.844
  449   1HD2  LEU  56          HD21      LEU  56  17.032  12.675  11.100
  450   2HD2  LEU  56          HD22      LEU  56  15.580  12.660  12.109
  451   3HD2  LEU  56          HD23      LEU  56  15.604  11.735  10.599
  452    H    GLN  57           H        GLN  57  17.844  13.148   6.402
  453    HA   GLN  57           HA       GLN  57  16.568  14.976   4.516
  454   1HB   GLN  57          HB2       GLN  57  19.358  13.754   4.523
  455   2HB   GLN  57          HB3       GLN  57  18.750  14.969   3.380
  456   1HG   GLN  57          HG2       GLN  57  18.155  16.382   5.481
  457   2HG   GLN  57          HG3       GLN  57  19.203  15.272   6.368
  458   1HE2  GLN  57          HE22      GLN  57  21.525  15.184   5.711
  459   2HE2  GLN  57          HE21      GLN  57  22.229  16.557   4.857
  460    H    SER  58           H        SER  58  17.572  11.472   4.472
  461    HA   SER  58           HA       SER  58  16.721  11.057   1.768
  462   1HB   SER  58          HB2       SER  58  16.328   8.678   2.611
  463   2HB   SER  58          HB3       SER  58  17.968   9.306   2.732
  464    HG   SER  58           HG       SER  58  16.846   8.217   4.654
  465    H    ASN  59           H        ASN  59  14.925  10.926   4.932
  466    HA   ASN  59           HA       ASN  59  12.451  10.240   3.782
  467   1HB   ASN  59          HB2       ASN  59  12.825  10.245   6.230
  468   2HB   ASN  59          HB3       ASN  59  12.885  12.007   6.211
  469   1HD2  ASN  59          HD22      ASN  59  10.944  12.760   7.082
  470   2HD2  ASN  59          HD21      ASN  59   9.371  12.147   6.648
  471    H    ALA  60           H        ALA  60  13.797  13.528   4.313
  472    HA   ALA  60           HA       ALA  60  11.564  14.934   3.263
  473   1HB   ALA  60          HB1       ALA  60  13.120  16.807   2.961
  474   2HB   ALA  60          HB2       ALA  60  13.386  16.017   4.528
  475   3HB   ALA  60          HB3       ALA  60  14.508  15.720   3.175
  476    H    ALA  61           H        ALA  61  14.436  13.641   1.576
  477    HA   ALA  61           HA       ALA  61  13.713  14.599  -1.019
  478   1HB   ALA  61          HB1       ALA  61  15.338  12.125  -0.272
  479   2HB   ALA  61          HB2       ALA  61  15.297  12.959  -1.839
  480   3HB   ALA  61          HB3       ALA  61  15.973  13.782  -0.415
  481    H    LYS  62           H        LYS  62  12.977  11.549   0.706
  482    HA   LYS  62           HA       LYS  62  11.528  10.243  -1.338
  483   1HB   LYS  62          HB2       LYS  62  12.096   8.899   0.469
  484   2HB   LYS  62          HB3       LYS  62  11.679  10.113   1.651
  485   1HG   LYS  62          HG2       LYS  62   9.283   9.735   1.298
  486   2HG   LYS  62          HG3       LYS  62   9.647   8.468   0.112
  487   1HD   LYS  62          HD2       LYS  62  10.567   7.037   1.750
  488   2HD   LYS  62          HD3       LYS  62  10.864   8.341   2.899
  489   1HE   LYS  62          HE2       LYS  62   8.070   7.434   2.093
  490   2HE   LYS  62          HE3       LYS  62   8.960   6.792   3.484
  491   1HZ   LYS  62          HZ1       LYS  62   9.094   9.186   4.274
  492   2HZ   LYS  62          HZ2       LYS  62   7.983   9.569   3.126
  493   3HZ   LYS  62          HZ3       LYS  62   7.599   8.507   4.295
  494    H    GLU  63           H        GLU  63  10.284  12.450   1.279
  495    HA   GLU  63           HA       GLU  63   7.623  12.416   0.307
  496   1HB   GLU  63          HB2       GLU  63   9.122  14.609   1.816
  497   2HB   GLU  63          HB3       GLU  63   7.381  14.595   1.551
  498   1HG   GLU  63          HG2       GLU  63   8.958  12.555   3.163
  499   2HG   GLU  63          HG3       GLU  63   7.928  13.820   3.797
  500    H    ALA  64           H        ALA  64  10.383  14.425  -0.636
  501    HA   ALA  64           HA       ALA  64   8.931  16.277  -2.236
  502   1HB   ALA  64          HB1       ALA  64  11.845  15.418  -2.391
  503   2HB   ALA  64          HB2       ALA  64  11.152  16.911  -3.057
  504   3HB   ALA  64          HB3       ALA  64  11.194  16.659  -1.295
  505    H    LEU  65           H        LEU  65  10.492  13.138  -3.081
  506    HA   LEU  65           HA       LEU  65   9.701  13.590  -5.926
  507   1HB   LEU  65          HB2       LEU  65  11.968  11.994  -4.698
  508   2HB   LEU  65          HB3       LEU  65  11.543  11.942  -6.401
  509    HG   LEU  65           HG       LEU  65  12.472  14.425  -4.912
  510   1HD1  LEU  65          HD11      LEU  65  13.853  12.667  -6.987
  511   2HD1  LEU  65          HD12      LEU  65  14.502  14.180  -6.316
  512   3HD1  LEU  65          HD13      LEU  65  14.252  12.779  -5.266
  513   1HD2  LEU  65          HD21      LEU  65  10.986  15.110  -6.746
  514   2HD2  LEU  65          HD22      LEU  65  12.655  15.445  -7.185
  515   3HD2  LEU  65          HD23      LEU  65  11.836  14.028  -7.872
  516    H    GLN  66           H        GLN  66   8.601  11.715  -3.341
  517    HA   GLN  66           HA       GLN  66   7.893   9.310  -4.685
  518   1HB   GLN  66          HB2       GLN  66   6.671  10.972  -2.473
  519   2HB   GLN  66          HB3       GLN  66   5.710   9.669  -3.164
  520   1HG   GLN  66          HG2       GLN  66   8.538   9.003  -2.362
  521   2HG   GLN  66          HG3       GLN  66   7.357   9.269  -1.083
  522   1HE2  GLN  66          HE22      GLN  66   6.660   7.299  -0.354
  523   2HE2  GLN  66          HE21      GLN  66   6.442   5.889  -1.356
  524    H    GLY  67           H        GLY  67   6.762   8.967  -6.503
  525   1HA   GLY  67          HA2       GLY  67   5.032   9.092  -7.986
  526   2HA   GLY  67          HA3       GLY  67   4.385  10.523  -7.174
  527    H    PHE  68           H        PHE  68   7.754  10.906  -7.898
  528    HA   PHE  68           HA       PHE  68   7.115  13.040  -9.767
  529   1HB   PHE  68          HB2       PHE  68   8.888  13.245  -8.085
  530   2HB   PHE  68          HB3       PHE  68   9.749  11.884  -8.792
  531    HD1  PHE  68           HD1      PHE  68  11.036  12.128 -10.866
  532    HD2  PHE  68           HD2      PHE  68   8.830  15.447  -9.207
  533    HE1  PHE  68           HE1      PHE  68  12.260  13.690 -12.349
  534    HE2  PHE  68           HE2      PHE  68  10.070  17.005 -10.688
  535    HZ   PHE  68           HZ       PHE  68  11.790  16.131 -12.259
  536    H    LYS  69           H        LYS  69   6.979  12.830 -11.937
  537    HA   LYS  69           HA       LYS  69   7.535  10.368 -13.369
  538   1HB   LYS  69          HB2       LYS  69   6.602  13.123 -14.113
  539   2HB   LYS  69          HB3       LYS  69   7.566  12.290 -15.328
  540   1HG   LYS  69          HG2       LYS  69   5.347  11.773 -15.839
  541   2HG   LYS  69          HG3       LYS  69   6.092  10.317 -15.196
  542   1HD   LYS  69          HD2       LYS  69   5.070  10.867 -12.943
  543   2HD   LYS  69          HD3       LYS  69   4.143  12.147 -13.731
  544   1HE   LYS  69          HE2       LYS  69   4.140   9.207 -14.575
  545   2HE   LYS  69          HE3       LYS  69   2.964   9.903 -13.445
  546   1HZ   LYS  69          HZ1       LYS  69   2.336  11.458 -15.286
  547   2HZ   LYS  69          HZ2       LYS  69   3.253  10.546 -16.315
  548   3HZ   LYS  69          HZ3       LYS  69   1.971   9.895 -15.562
  549    H    ILE  70           H        ILE  70   9.526   9.596 -13.526
  550    HA   ILE  70           HA       ILE  70  11.885  11.375 -13.808
  551    HB   ILE  70           HB       ILE  70  11.572   8.379 -14.161
  552   1HG1  ILE  70          HG12      ILE  70  12.867   9.993 -11.913
  553   2HG1  ILE  70          HG13      ILE  70  11.251   9.290 -11.812
  554   1HG2  ILE  70          HG21      ILE  70  14.063   8.355 -14.172
  555   2HG2  ILE  70          HG22      ILE  70  13.466   9.335 -15.500
  556   3HG2  ILE  70          HG23      ILE  70  14.084  10.125 -14.035
  557   1HD1  ILE  70          HD11      ILE  70  13.805   7.670 -12.169
  558   2HD1  ILE  70          HD12      ILE  70  12.897   7.885 -10.683
  559   3HD1  ILE  70          HD13      ILE  70  12.143   7.041 -12.056
  560    H    THR  71           H        THR  71   9.763   9.222 -15.799
  561    HA   THR  71           HA       THR  71  10.120  11.055 -18.061
  562    HB   THR  71           HB       THR  71  10.029   9.084 -19.615
  563    HG1  THR  71           HG1      THR  71  10.749   7.091 -18.737
  564   1HG2  THR  71          HG21      THR  71  12.387   8.499 -19.516
  565   2HG2  THR  71          HG22      THR  71  12.203  10.212 -19.110
  566   3HG2  THR  71          HG23      THR  71  12.493   9.022 -17.824
  567    HA   PRO  72           HA       PRO  72   5.954  11.566 -18.104
  568   1HB   PRO  72          HB2       PRO  72   5.622  10.104 -20.734
  569   2HB   PRO  72          HB3       PRO  72   4.876  11.649 -20.207
  570   1HG   PRO  72          HG2       PRO  72   7.086  11.707 -21.751
  571   2HG   PRO  72          HG3       PRO  72   6.985  12.788 -20.321
  572   1HD   PRO  72          HD2       PRO  72   8.452  10.171 -20.612
  573   2HD   PRO  72          HD3       PRO  72   8.978  11.680 -19.807
  574    H    THR  73           H        THR  73   6.677   8.131 -18.540
  575    HA   THR  73           HA       THR  73   4.021   7.418 -17.435
  576    HB   THR  73           HB       THR  73   4.529   5.234 -18.743
  577    HG1  THR  73           HG1      THR  73   6.028   5.429 -20.381
  578   1HG2  THR  73          HG21      THR  73   3.701   6.148 -20.855
  579   2HG2  THR  73          HG22      THR  73   2.871   6.929 -19.501
  580   3HG2  THR  73          HG23      THR  73   4.158   7.795 -20.367
  581    H    HIS  74           H        HIS  74   6.909   7.928 -16.189
  582    HA   HIS  74           HA       HIS  74   6.893   5.465 -14.508
  583   1HB   HIS  74          HB2       HIS  74   9.331   6.788 -15.729
  584   2HB   HIS  74          HB3       HIS  74   9.320   5.464 -14.558
  585    HD1  HIS  74           HD1      HIS  74   8.930   6.103 -18.240
  586    HD2  HIS  74           HD2      HIS  74   8.294   3.035 -15.435
  587    HE1  HIS  74           HE1      HIS  74   8.583   3.956 -19.591
  588    H    ALA  75           H        ALA  75   5.555   6.913 -13.264
  589    HA   ALA  75           HA       ALA  75   6.751   9.091 -11.738
  590   1HB   ALA  75          HB1       ALA  75   4.338   7.281 -11.223
  591   2HB   ALA  75          HB2       ALA  75   4.794   8.677 -10.238
  592   3HB   ALA  75          HB3       ALA  75   4.297   8.912 -11.917
  593    H    MET  76           H        MET  76   8.622   8.533 -10.568
  594    HA   MET  76           HA       MET  76   9.197   5.887  -9.775
  595   1HB   MET  76          HB2       MET  76  11.026   6.691  -8.612
  596   2HB   MET  76          HB3       MET  76  10.800   7.866  -9.906
  597   1HG   MET  76          HG2       MET  76   9.815   9.453  -8.292
  598   2HG   MET  76          HG3       MET  76   9.915   8.231  -7.016
  599   1HE   MET  76          HE1       MET  76  13.490  10.610  -8.695
  600   2HE   MET  76          HE2       MET  76  12.204   9.929  -9.715
  601   3HE   MET  76          HE3       MET  76  11.839  11.247  -8.588
  602    H    LYS  77           H        LYS  77   9.068   4.788  -7.841
  603    HA   LYS  77           HA       LYS  77   7.315   5.925  -5.696
  604   1HB   LYS  77          HB2       LYS  77   7.764   3.063  -6.591
  605   2HB   LYS  77          HB3       LYS  77   7.001   3.515  -5.054
  606   1HG   LYS  77          HG2       LYS  77   5.255   4.764  -6.419
  607   2HG   LYS  77          HG3       LYS  77   5.939   3.998  -7.863
  608   1HD   LYS  77          HD2       LYS  77   4.722   2.605  -5.435
  609   2HD   LYS  77          HD3       LYS  77   4.006   2.725  -7.047
  610   1HE   LYS  77          HE2       LYS  77   5.843   1.348  -7.982
  611   2HE   LYS  77          HE3       LYS  77   6.605   1.257  -6.376
  612   1HZ   LYS  77          HZ1       LYS  77   5.238  -0.696  -6.990
  613   2HZ   LYS  77          HZ2       LYS  77   4.894  -0.010  -5.555
  614   3HZ   LYS  77          HZ3       LYS  77   3.889   0.217  -6.853
  615    H    ILE  78           H        ILE  78   8.147   5.583  -3.610
  616    HA   ILE  78           HA       ILE  78  11.013   4.794  -3.415
  617    HB   ILE  78           HB       ILE  78   9.784   7.213  -2.062
  618   1HG1  ILE  78          HG12      ILE  78  11.206   7.168  -4.758
  619   2HG1  ILE  78          HG13      ILE  78   9.586   7.734  -4.416
  620   1HG2  ILE  78          HG21      ILE  78  12.083   7.897  -1.650
  621   2HG2  ILE  78          HG22      ILE  78  11.828   6.292  -1.017
  622   3HG2  ILE  78          HG23      ILE  78  12.694   6.505  -2.552
  623   1HD1  ILE  78          HD11      ILE  78  10.498   9.617  -3.119
  624   2HD1  ILE  78          HD12      ILE  78  12.147   9.092  -3.522
  625   3HD1  ILE  78          HD13      ILE  78  11.038   9.602  -4.798
  626    H    THR  79           H        THR  79  11.590   3.919  -1.453
  627    HA   THR  79           HA       THR  79   9.761   3.765   0.822
  628    HB   THR  79           HB       THR  79  10.760   1.148   0.602
  629    HG1  THR  79           HG1      THR  79  11.094   1.716  -1.720
  630   1HG2  THR  79          HG21      THR  79   8.452   0.476   0.278
  631   2HG2  THR  79          HG22      THR  79   8.519   1.827   1.411
  632   3HG2  THR  79          HG23      THR  79   8.005   2.113  -0.268
  633    H    PHE  80           H        PHE  80  11.120   2.932   2.765
  634    HA   PHE  80           HA       PHE  80  13.890   3.880   2.537
  635   1HB   PHE  80          HB2       PHE  80  12.340   2.542   4.788
  636   2HB   PHE  80          HB3       PHE  80  14.031   3.013   4.895
  637    HD1  PHE  80           HD1      PHE  80  14.642   5.488   4.363
  638    HD2  PHE  80           HD2      PHE  80  10.653   4.166   5.338
  639    HE1  PHE  80           HE1      PHE  80  13.983   7.834   4.835
  640    HE2  PHE  80           HE2      PHE  80  10.010   6.502   5.855
  641    HZ   PHE  80           HZ       PHE  80  11.660   8.334   5.583
  642    H    ALA  81           H        ALA  81  15.714   2.531   2.549
  643    HA   ALA  81           HA       ALA  81  15.280  -0.298   1.715
  644   1HB   ALA  81          HB1       ALA  81  17.832   1.340   1.978
  645   2HB   ALA  81          HB2       ALA  81  17.722  -0.316   1.356
  646   3HB   ALA  81          HB3       ALA  81  16.970   1.012   0.460
  647    H    LYS  82           H        LYS  82  16.880  -1.841   3.008
  648    HA   LYS  82           HA       LYS  82  16.739  -1.209   5.911
  649   1HB   LYS  82          HB2       LYS  82  15.720  -3.789   4.640
  650   2HB   LYS  82          HB3       LYS  82  15.858  -3.432   6.361
  651   1HG   LYS  82          HG2       LYS  82  13.673  -2.860   6.166
  652   2HG   LYS  82          HG3       LYS  82  14.355  -1.301   5.677
  653   1HD   LYS  82          HD2       LYS  82  14.165  -2.138   3.257
  654   2HD   LYS  82          HD3       LYS  82  13.297  -3.544   3.895
  655   1HE   LYS  82          HE2       LYS  82  11.507  -2.170   4.736
  656   2HE   LYS  82          HE3       LYS  82  12.427  -0.678   4.437
  657   1HZ   LYS  82          HZ1       LYS  82  12.266  -1.050   2.103
  658   2HZ   LYS  82          HZ2       LYS  82  11.468  -2.510   2.318
  659   3HZ   LYS  82          HZ3       LYS  82  10.758  -1.099   2.714
  660    H    LYS  83           H        LYS  83  18.894  -0.706   4.681
  661    HA   LYS  83           HA       LYS  83  21.094  -1.056   4.355
  662   1HB   LYS  83          HB2       LYS  83  20.952  -3.172   6.515
  663   2HB   LYS  83          HB3       LYS  83  22.330  -2.178   6.067
  664   1HG   LYS  83          HG2       LYS  83  19.767  -1.199   7.404
  665   2HG   LYS  83          HG3       LYS  83  21.295  -1.552   8.212
  666   1HD   LYS  83          HD2       LYS  83  22.364   0.284   6.808
  667   2HD   LYS  83          HD3       LYS  83  20.719   0.713   6.269
  668   1HE   LYS  83          HE2       LYS  83  20.044   0.904   8.699
  669   2HE   LYS  83          HE3       LYS  83  21.725   0.602   9.152
  670   1HZ   LYS  83          HZ1       LYS  83  20.678   2.939   7.671
  671   2HZ   LYS  83          HZ2       LYS  83  21.323   2.927   9.166
  672   3HZ   LYS  83          HZ3       LYS  83  22.295   2.647   7.886
  Start of MODEL   15
    1   1H    ALA   1          H1        ALA   1   8.946  -5.980  -1.249
    2   2H    ALA   1          H2        ALA   1   9.782  -7.351  -1.652
    3   3H    ALA   1          H3        ALA   1  10.031  -6.615  -0.208
    4    HA   ALA   1           HA       ALA   1  11.851  -5.999  -1.472
    5   1HB   ALA   1          HB1       ALA   1  11.009  -6.645  -3.682
    6   2HB   ALA   1          HB2       ALA   1   9.896  -5.263  -3.702
    7   3HB   ALA   1          HB3       ALA   1  11.654  -5.000  -3.710
    8    H    GLN   2           H        GLN   2   9.085  -3.797  -2.327
    9    HA   GLN   2           HA       GLN   2  10.209  -1.522  -1.039
   10   1HB   GLN   2          HB2       GLN   2   7.324  -2.258  -1.742
   11   2HB   GLN   2          HB3       GLN   2   7.815  -0.705  -1.102
   12   1HG   GLN   2          HG2       GLN   2   9.399  -0.506  -3.121
   13   2HG   GLN   2          HG3       GLN   2   8.515  -1.875  -3.809
   14   1HE2  GLN   2          HE22      GLN   2   8.226   1.458  -2.578
   15   2HE2  GLN   2          HE21      GLN   2   6.739   1.862  -3.433
   16    H    THR   3           H        THR   3   9.895  -0.661   1.060
   17    HA   THR   3           HA       THR   3   8.110  -2.060   2.917
   18    HB   THR   3           HB       THR   3  10.090  -1.864   4.631
   19    HG1  THR   3           HG1      THR   3  11.610  -0.997   3.065
   20   1HG2  THR   3          HG21      THR   3  10.168  -4.149   2.637
   21   2HG2  THR   3          HG22      THR   3  10.682  -4.164   4.339
   22   3HG2  THR   3          HG23      THR   3   8.971  -3.986   3.940
   23    H    GLU   4           H        GLU   4   7.415  -0.764   4.621
   24    HA   GLU   4           HA       GLU   4   7.919   2.157   4.295
   25   1HB   GLU   4          HB2       GLU   4   5.436   0.624   5.163
   26   2HB   GLU   4          HB3       GLU   4   5.612   2.387   5.222
   27   1HG   GLU   4          HG2       GLU   4   5.994   2.448   2.778
   28   2HG   GLU   4          HG3       GLU   4   5.794   0.696   2.690
   29    H    GLN   5           H        GLN   5   9.835   1.088   5.599
   30    HA   GLN   5           HA       GLN   5   9.551   0.521   8.397
   31   1HB   GLN   5          HB2       GLN   5  11.908   1.696   6.849
   32   2HB   GLN   5          HB3       GLN   5  12.004   0.948   8.434
   33   1HG   GLN   5          HG2       GLN   5  11.262  -0.495   5.857
   34   2HG   GLN   5          HG3       GLN   5  12.834  -0.488   6.623
   35   1HE2  GLN   5          HE22      GLN   5   9.452  -1.656   7.014
   36   2HE2  GLN   5          HE21      GLN   5   9.849  -2.869   8.199
   37    HA   PRO   6           HA       PRO   6   9.809   4.788  10.176
   38   1HB   PRO   6          HB2       PRO   6  12.176   3.579  11.606
   39   2HB   PRO   6          HB3       PRO   6  10.882   4.629  12.263
   40   1HG   PRO   6          HG2       PRO   6  10.848   1.956  12.732
   41   2HG   PRO   6          HG3       PRO   6   9.329   2.814  12.311
   42   1HD   PRO   6          HD2       PRO   6  11.125   1.182  10.501
   43   2HD   PRO   6          HD3       PRO   6   9.340   1.158  10.632
   44    HA   PRO   7           HA       PRO   7  12.687   6.494   7.383
   45   1HB   PRO   7          HB2       PRO   7  13.795   8.197   9.626
   46   2HB   PRO   7          HB3       PRO   7  13.371   8.680   7.952
   47   1HG   PRO   7          HG2       PRO   7  11.636   9.154   9.981
   48   2HG   PRO   7          HG3       PRO   7  11.035   8.517   8.416
   49   1HD   PRO   7          HD2       PRO   7  11.535   7.012  10.989
   50   2HD   PRO   7          HD3       PRO   7  10.193   6.854   9.815
   51    H    ASN   8           H        ASN   8  14.665   6.124   6.495
   52    HA   ASN   8           HA       ASN   8  16.957   5.242   8.131
   53   1HB   ASN   8          HB2       ASN   8  15.823   3.121   7.612
   54   2HB   ASN   8          HB3       ASN   8  15.631   3.602   5.924
   55   1HD2  ASN   8          HD22      ASN   8  16.903   2.124   4.868
   56   2HD2  ASN   8          HD21      ASN   8  18.628   1.928   5.156
   57    H    GLN   9           H        GLN   9  18.936   5.523   6.936
   58    HA   GLN   9           HA       GLN   9  18.872   7.801   5.167
   59   1HB   GLN   9          HB2       GLN   9  21.223   7.811   5.374
   60   2HB   GLN   9          HB3       GLN   9  20.569   7.414   6.954
   61   1HG   GLN   9          HG2       GLN   9  21.034   4.998   6.536
   62   2HG   GLN   9          HG3       GLN   9  21.740   5.414   4.964
   63   1HE2  GLN   9          HE22      GLN   9  23.447   7.442   5.283
   64   2HE2  GLN   9          HE21      GLN   9  24.637   7.074   6.515
   65    H    ILE  10           H        ILE  10  18.013   4.800   4.238
   66    HA   ILE  10           HA       ILE  10  19.266   5.035   1.584
   67    HB   ILE  10           HB       ILE  10  18.916   2.329   2.912
   68   1HG1  ILE  10          HG12      ILE  10  21.477   3.958   2.839
   69   2HG1  ILE  10          HG13      ILE  10  20.586   3.435   4.272
   70   1HG2  ILE  10          HG21      ILE  10  20.260   1.507   1.053
   71   2HG2  ILE  10          HG22      ILE  10  18.970   2.475   0.380
   72   3HG2  ILE  10          HG23      ILE  10  20.596   3.166   0.503
   73   1HD1  ILE  10          HD11      ILE  10  22.138   1.658   2.369
   74   2HD1  ILE  10          HD12      ILE  10  22.476   2.015   4.066
   75   3HD1  ILE  10          HD13      ILE  10  21.047   1.049   3.639
   76    H    LEU  11           H        LEU  11  17.834   4.501  -0.021
   77    HA   LEU  11           HA       LEU  11  14.992   4.009   0.739
   78   1HB   LEU  11          HB2       LEU  11  16.120   5.863  -1.402
   79   2HB   LEU  11          HB3       LEU  11  14.413   5.582  -1.074
   80    HG   LEU  11           HG       LEU  11  16.378   6.922   0.838
   81   1HD1  LEU  11          HD11      LEU  11  15.182   8.988   0.300
   82   2HD1  LEU  11          HD12      LEU  11  15.908   8.285  -1.150
   83   3HD1  LEU  11          HD13      LEU  11  14.165   8.123  -0.865
   84   1HD2  LEU  11          HD21      LEU  11  14.667   5.822   2.122
   85   2HD2  LEU  11          HD22      LEU  11  14.264   7.541   2.083
   86   3HD2  LEU  11          HD23      LEU  11  13.379   6.406   1.044
   87    H    PHE  12           H        PHE  12  13.842   2.806  -0.782
   88    HA   PHE  12           HA       PHE  12  15.379   1.510  -2.985
   89   1HB   PHE  12          HB2       PHE  12  14.869  -0.181  -1.279
   90   2HB   PHE  12          HB3       PHE  12  13.185   0.341  -1.225
   91    HD1  PHE  12           HD1      PHE  12  15.745  -0.801  -3.767
   92    HD2  PHE  12           HD2      PHE  12  11.621  -0.824  -2.553
   93    HE1  PHE  12           HE1      PHE  12  15.241  -2.456  -5.536
   94    HE2  PHE  12           HE2      PHE  12  11.120  -2.525  -4.291
   95    HZ   PHE  12           HZ       PHE  12  12.928  -3.342  -5.792
   96    H    LEU  13           H        LEU  13  14.379   1.698  -4.934
   97    HA   LEU  13           HA       LEU  13  11.889   3.336  -5.034
   98   1HB   LEU  13          HB2       LEU  13  14.574   3.629  -6.447
   99   2HB   LEU  13          HB3       LEU  13  13.085   4.243  -7.133
  100    HG   LEU  13           HG       LEU  13  12.699   5.651  -5.129
  101   1HD1  LEU  13          HD11      LEU  13  13.984   4.745  -3.359
  102   2HD1  LEU  13          HD12      LEU  13  15.456   4.632  -4.344
  103   3HD1  LEU  13          HD13      LEU  13  14.839   6.213  -3.803
  104   1HD2  LEU  13          HD21      LEU  13  15.310   6.063  -6.648
  105   2HD2  LEU  13          HD22      LEU  13  13.687   6.486  -7.234
  106   3HD2  LEU  13          HD23      LEU  13  14.357   7.320  -5.836
  107    H    THR  14           H        THR  14  10.601   2.987  -6.837
  108    HA   THR  14           HA       THR  14  11.166   0.695  -8.625
  109    HB   THR  14           HB       THR  14   8.890  -0.257  -8.011
  110    HG1  THR  14           HG1      THR  14   9.263   1.319  -5.678
  111   1HG2  THR  14          HG21      THR  14   9.617  -1.521  -6.108
  112   2HG2  THR  14          HG22      THR  14  11.020  -1.287  -7.157
  113   3HG2  THR  14          HG23      THR  14  10.852  -0.311  -5.692
  114    H    ASN  15           H        ASN  15   9.221   0.421 -10.170
  115    HA   ASN  15           HA       ASN  15   8.074   1.175 -11.897
  116   1HB   ASN  15          HB2       ASN  15   6.431   1.742 -10.109
  117   2HB   ASN  15          HB3       ASN  15   7.068   3.390 -10.087
  118   1HD2  ASN  15          HD22      ASN  15   5.693   4.744 -11.187
  119   2HD2  ASN  15          HD21      ASN  15   4.724   4.281 -12.585
  120    H    LEU  16           H        LEU  16  10.772   2.002 -11.667
  121    HA   LEU  16           HA       LEU  16  11.020   4.780 -12.588
  122   1HB   LEU  16          HB2       LEU  16  13.096   2.576 -12.527
  123   2HB   LEU  16          HB3       LEU  16  13.394   4.306 -12.561
  124    HG   LEU  16           HG       LEU  16  12.252   2.720 -10.227
  125   1HD1  LEU  16          HD11      LEU  16  14.335   3.229  -9.125
  126   2HD1  LEU  16          HD12      LEU  16  14.652   2.394 -10.661
  127   3HD1  LEU  16          HD13      LEU  16  14.910   4.139 -10.546
  128   1HD2  LEU  16          HD21      LEU  16  13.062   5.635 -10.135
  129   2HD2  LEU  16          HD22      LEU  16  11.376   5.144 -10.451
  130   3HD2  LEU  16          HD23      LEU  16  12.137   4.694  -8.950
  131    HA   PRO  17           HA       PRO  17  11.036   4.014 -17.043
  132   1HB   PRO  17          HB2       PRO  17  13.857   4.977 -17.127
  133   2HB   PRO  17          HB3       PRO  17  12.456   5.463 -18.116
  134   1HG   PRO  17          HG2       PRO  17  13.468   6.937 -16.019
  135   2HG   PRO  17          HG3       PRO  17  11.744   6.989 -16.496
  136   1HD   PRO  17          HD2       PRO  17  12.961   5.754 -14.115
  137   2HD   PRO  17          HD3       PRO  17  11.278   6.222 -14.406
  138    H    GLU  18           H        GLU  18  11.713   2.316 -18.424
  139    HA   GLU  18           HA       GLU  18  13.447   0.238 -17.366
  140   1HB   GLU  18          HB2       GLU  18  12.941  -0.922 -19.438
  141   2HB   GLU  18          HB3       GLU  18  11.481  -0.297 -18.675
  142   1HG   GLU  18          HG2       GLU  18  11.489   1.626 -20.284
  143   2HG   GLU  18          HG3       GLU  18  12.898   0.923 -21.078
  144    H    GLU  19           H        GLU  19  14.323   3.125 -18.255
  145    HA   GLU  19           HA       GLU  19  16.831   2.367 -19.528
  146   1HB   GLU  19          HB2       GLU  19  15.127   4.827 -20.122
  147   2HB   GLU  19          HB3       GLU  19  16.685   4.491 -20.862
  148   1HG   GLU  19          HG2       GLU  19  14.127   2.887 -21.228
  149   2HG   GLU  19          HG3       GLU  19  14.819   4.023 -22.368
  150    H    THR  20           H        THR  20  15.746   3.239 -16.634
  151    HA   THR  20           HA       THR  20  16.918   5.766 -16.058
  152    HB   THR  20           HB       THR  20  16.605   3.518 -14.030
  153    HG1  THR  20           HG1      THR  20  14.636   3.491 -14.937
  154   1HG2  THR  20          HG21      THR  20  17.508   5.739 -13.226
  155   2HG2  THR  20          HG22      THR  20  16.058   6.529 -13.888
  156   3HG2  THR  20          HG23      THR  20  15.914   5.367 -12.555
  157    H    ASN  21           H        ASN  21  18.924   6.269 -15.047
  158    HA   ASN  21           HA       ASN  21  20.991   4.168 -14.998
  159   1HB   ASN  21          HB2       ASN  21  21.181   5.313 -17.206
  160   2HB   ASN  21          HB3       ASN  21  21.268   6.872 -16.384
  161   1HD2  ASN  21          HD22      ASN  21  23.400   7.340 -17.235
  162   2HD2  ASN  21          HD21      ASN  21  24.801   6.470 -16.674
  163    H    GLU  22           H        GLU  22  22.840   4.929 -13.653
  164    HA   GLU  22           HA       GLU  22  22.080   5.899 -11.135
  165   1HB   GLU  22          HB2       GLU  22  24.112   4.551 -11.818
  166   2HB   GLU  22          HB3       GLU  22  24.838   6.045 -12.420
  167   1HG   GLU  22          HG2       GLU  22  24.629   7.000 -10.089
  168   2HG   GLU  22          HG3       GLU  22  24.015   5.433  -9.551
  169    H    MET  23           H        MET  23  23.330   7.638 -13.942
  170    HA   MET  23           HA       MET  23  23.817  10.135 -12.669
  171   1HB   MET  23          HB2       MET  23  23.148   9.508 -15.575
  172   2HB   MET  23          HB3       MET  23  23.757  11.062 -14.996
  173   1HG   MET  23          HG2       MET  23  25.238   8.409 -14.802
  174   2HG   MET  23          HG3       MET  23  25.538   9.681 -15.982
  175   1HE   MET  23          HE1       MET  23  28.112   9.571 -15.389
  176   2HE   MET  23          HE2       MET  23  28.756   9.737 -13.742
  177   3HE   MET  23          HE3       MET  23  27.784   8.313 -14.174
  178    H    MET  24           H        MET  24  20.816   8.780 -14.017
  179    HA   MET  24           HA       MET  24  19.402  11.289 -14.198
  180   1HB   MET  24          HB2       MET  24  18.414   8.411 -13.960
  181   2HB   MET  24          HB3       MET  24  17.329   9.786 -14.061
  182   1HG   MET  24          HG2       MET  24  19.443   9.093 -16.113
  183   2HG   MET  24          HG3       MET  24  17.732   8.672 -16.231
  184   1HE   MET  24          HE1       MET  24  16.192  11.366 -15.274
  185   2HE   MET  24          HE2       MET  24  15.980  12.107 -16.871
  186   3HE   MET  24          HE3       MET  24  15.783  10.352 -16.680
  187    H    LEU  25           H        LEU  25  19.419   8.674 -11.765
  188    HA   LEU  25           HA       LEU  25  17.672  10.174 -10.011
  189   1HB   LEU  25          HB2       LEU  25  19.476   7.807  -9.379
  190   2HB   LEU  25          HB3       LEU  25  18.225   8.449  -8.320
  191    HG   LEU  25           HG       LEU  25  17.834   7.074 -11.011
  192   1HD1  LEU  25          HD11      LEU  25  17.015   6.353  -8.169
  193   2HD1  LEU  25          HD12      LEU  25  16.628   5.421  -9.636
  194   3HD1  LEU  25          HD13      LEU  25  18.311   5.596  -9.118
  195   1HD2  LEU  25          HD21      LEU  25  16.166   8.796 -10.976
  196   2HD2  LEU  25          HD22      LEU  25  15.362   7.306 -10.486
  197   3HD2  LEU  25          HD23      LEU  25  15.810   8.514  -9.252
  198    H    SER  26           H        SER  26  21.243   9.888 -10.338
  199    HA   SER  26           HA       SER  26  21.844  11.199  -7.865
  200   1HB   SER  26          HB2       SER  26  23.430  11.194 -10.468
  201   2HB   SER  26          HB3       SER  26  24.035  11.661  -8.867
  202    HG   SER  26           HG       SER  26  23.176   9.121  -9.782
  203    H    MET  27           H        MET  27  21.311  12.446 -11.205
  204    HA   MET  27           HA       MET  27  21.654  15.185 -10.630
  205   1HB   MET  27          HB2       MET  27  21.564  14.284 -12.891
  206   2HB   MET  27          HB3       MET  27  19.899  13.740 -12.655
  207   1HG   MET  27          HG2       MET  27  19.157  16.078 -12.424
  208   2HG   MET  27          HG3       MET  27  20.826  16.622 -12.625
  209   1HE   MET  27          HE1       MET  27  18.153  14.771 -15.954
  210   2HE   MET  27          HE2       MET  27  18.796  13.760 -14.646
  211   3HE   MET  27          HE3       MET  27  17.643  15.065 -14.276
  212    H    LEU  28           H        LEU  28  18.704  13.102 -10.361
  213    HA   LEU  28           HA       LEU  28  17.027  15.313  -9.608
  214   1HB   LEU  28          HB2       LEU  28  16.688  12.311  -9.272
  215   2HB   LEU  28          HB3       LEU  28  15.449  13.482  -8.836
  216    HG   LEU  28           HG       LEU  28  16.586  13.171 -11.646
  217   1HD1  LEU  28          HD11      LEU  28  15.289  11.188 -10.904
  218   2HD1  LEU  28          HD12      LEU  28  13.912  12.249 -10.521
  219   3HD1  LEU  28          HD13      LEU  28  14.475  12.076 -12.199
  220   1HD2  LEU  28          HD21      LEU  28  14.613  14.526 -12.323
  221   2HD2  LEU  28          HD22      LEU  28  14.236  14.809 -10.609
  222   3HD2  LEU  28          HD23      LEU  28  15.738  15.438 -11.327
  223    H    PHE  29           H        PHE  29  18.480  12.723  -7.573
  224    HA   PHE  29           HA       PHE  29  17.327  13.976  -5.217
  225   1HB   PHE  29          HB2       PHE  29  19.134  11.570  -5.635
  226   2HB   PHE  29          HB3       PHE  29  18.692  12.172  -4.043
  227    HD1  PHE  29           HD1      PHE  29  16.689  11.689  -2.986
  228    HD2  PHE  29           HD2      PHE  29  17.167  10.741  -7.157
  229    HE1  PHE  29           HE1      PHE  29  14.575  10.405  -2.926
  230    HE2  PHE  29           HE2      PHE  29  15.074   9.436  -7.090
  231    HZ   PHE  29           HZ       PHE  29  13.762   9.285  -4.987
  232    H    ASN  30           H        ASN  30  20.599  14.182  -6.706
  233    HA   ASN  30           HA       ASN  30  21.893  15.028  -4.326
  234   1HB   ASN  30          HB2       ASN  30  23.104  14.209  -6.260
  235   2HB   ASN  30          HB3       ASN  30  22.621  15.642  -7.192
  236   1HD2  ASN  30          HD22      ASN  30  24.359  17.032  -7.387
  237   2HD2  ASN  30          HD21      ASN  30  25.516  17.360  -6.125
  238    H    GLN  31           H        GLN  31  19.499  16.685  -6.105
  239    HA   GLN  31           HA       GLN  31  20.210  19.397  -5.691
  240   1HB   GLN  31          HB2       GLN  31  17.490  18.017  -5.684
  241   2HB   GLN  31          HB3       GLN  31  17.729  19.767  -5.709
  242   1HG   GLN  31          HG2       GLN  31  18.946  19.595  -7.862
  243   2HG   GLN  31          HG3       GLN  31  18.695  17.847  -7.868
  244   1HE2  GLN  31          HE22      GLN  31  16.365  17.085  -7.769
  245   2HE2  GLN  31          HE21      GLN  31  15.155  18.046  -8.613
  246    H    PHE  32           H        PHE  32  19.076  16.863  -3.449
  247    HA   PHE  32           HA       PHE  32  18.415  18.800  -1.359
  248   1HB   PHE  32          HB2       PHE  32  18.582  15.777  -1.215
  249   2HB   PHE  32          HB3       PHE  32  17.785  16.845  -0.061
  250    HD1  PHE  32           HD1      PHE  32  15.977  18.540  -1.338
  251    HD2  PHE  32           HD2      PHE  32  17.184  14.620  -2.669
  252    HE1  PHE  32           HE1      PHE  32  13.966  18.401  -2.787
  253    HE2  PHE  32           HE2      PHE  32  15.175  14.480  -4.093
  254    HZ   PHE  32           HZ       PHE  32  13.591  16.385  -4.204
  255    HA   PRO  33           HA       PRO  33  22.609  18.986  -0.096
  256   1HB   PRO  33          HB2       PRO  33  22.451  20.294   2.300
  257   2HB   PRO  33          HB3       PRO  33  21.888  21.014   0.770
  258   1HG   PRO  33          HG2       PRO  33  20.209  19.523   2.822
  259   2HG   PRO  33          HG3       PRO  33  19.928  21.168   2.156
  260   1HD   PRO  33          HD2       PRO  33  18.707  18.986   1.092
  261   2HD   PRO  33          HD3       PRO  33  19.304  20.313   0.049
  262    H    GLY  34           H        GLY  34  21.382  16.325   0.510
  263   1HA   GLY  34          HA2       GLY  34  23.236  15.443   2.652
  264   2HA   GLY  34          HA3       GLY  34  21.507  15.116   2.845
  265    H    PHE  35           H        PHE  35  22.038  14.944  -0.481
  266    HA   PHE  35           HA       PHE  35  21.785  12.179  -0.772
  267   1HB   PHE  35          HB2       PHE  35  21.313  13.829  -2.488
  268   2HB   PHE  35          HB3       PHE  35  22.974  14.416  -2.456
  269    HD1  PHE  35           HD1      PHE  35  20.728  11.808  -3.685
  270    HD2  PHE  35           HD2      PHE  35  24.824  13.115  -3.504
  271    HE1  PHE  35           HE1      PHE  35  21.271  10.357  -5.615
  272    HE2  PHE  35           HE2      PHE  35  25.393  11.554  -5.368
  273    HZ   PHE  35           HZ       PHE  35  23.606  10.229  -6.452
  274    H    LYS  36           H        LYS  36  23.263  10.602  -1.244
  275    HA   LYS  36           HA       LYS  36  26.146  11.205  -0.838
  276   1HB   LYS  36          HB2       LYS  36  24.765  10.416   1.270
  277   2HB   LYS  36          HB3       LYS  36  24.935   8.809   0.542
  278   1HG   LYS  36          HG2       LYS  36  27.413   9.099   0.575
  279   2HG   LYS  36          HG3       LYS  36  27.208  10.768   1.129
  280   1HD   LYS  36          HD2       LYS  36  27.848   9.411   3.022
  281   2HD   LYS  36          HD3       LYS  36  26.212  10.023   3.225
  282   1HE   LYS  36          HE2       LYS  36  26.224   7.742   3.977
  283   2HE   LYS  36          HE3       LYS  36  25.307   7.810   2.478
  284   1HZ   LYS  36          HZ1       LYS  36  26.712   5.964   2.313
  285   2HZ   LYS  36          HZ2       LYS  36  27.448   7.068   1.370
  286   3HZ   LYS  36          HZ3       LYS  36  28.046   6.761   2.865
  287    H    GLU  37           H        GLU  37  23.743   8.707  -2.014
  288    HA   GLU  37           HA       GLU  37  25.574   8.169  -4.215
  289   1HB   GLU  37          HB2       GLU  37  26.275   6.764  -2.017
  290   2HB   GLU  37          HB3       GLU  37  24.949   5.730  -2.530
  291   1HG   GLU  37          HG2       GLU  37  26.072   5.470  -4.761
  292   2HG   GLU  37          HG3       GLU  37  27.370   6.521  -4.208
  293    H    VAL  38           H        VAL  38  24.691   6.474  -5.689
  294    HA   VAL  38           HA       VAL  38  21.855   5.695  -5.380
  295    HB   VAL  38           HB       VAL  38  23.175   6.909  -7.848
  296   1HG1  VAL  38          HG11      VAL  38  20.439   5.554  -7.715
  297   2HG1  VAL  38          HG12      VAL  38  21.122   6.441  -9.101
  298   3HG1  VAL  38          HG13      VAL  38  21.853   4.936  -8.600
  299   1HG2  VAL  38          HG21      VAL  38  21.330   8.496  -7.789
  300   2HG2  VAL  38          HG22      VAL  38  20.616   7.670  -6.385
  301   3HG2  VAL  38          HG23      VAL  38  22.179   8.484  -6.243
  302    H    ARG  39           H        ARG  39  21.506   3.595  -6.157
  303    HA   ARG  39           HA       ARG  39  23.726   2.176  -7.524
  304   1HB   ARG  39          HB2       ARG  39  22.277   1.148  -5.050
  305   2HB   ARG  39          HB3       ARG  39  23.268   0.156  -6.126
  306   1HG   ARG  39          HG2       ARG  39  25.234   1.598  -5.653
  307   2HG   ARG  39          HG3       ARG  39  24.267   2.569  -4.534
  308   1HD   ARG  39          HD2       ARG  39  24.771  -0.414  -4.219
  309   2HD   ARG  39          HD3       ARG  39  25.738   0.838  -3.448
  310    HE   ARG  39           HE       ARG  39  23.044  -0.040  -2.734
  311   1HH1  ARG  39          HH21      ARG  39  25.455   2.628  -2.284
  312   2HH1  ARG  39          HH22      ARG  39  24.790   2.984  -0.692
  313   1HH2  ARG  39          HH11      ARG  39  22.259   0.676  -0.626
  314   2HH2  ARG  39          HH12      ARG  39  23.096   2.017   0.147
  315    H    LEU  40           H        LEU  40  22.721   2.090  -9.444
  316    HA   LEU  40           HA       LEU  40  19.885   1.537  -9.837
  317   1HB   LEU  40          HB2       LEU  40  22.104   2.543 -11.383
  318   2HB   LEU  40          HB3       LEU  40  21.660   1.032 -12.124
  319    HG   LEU  40           HG       LEU  40  20.570   2.896 -13.187
  320   1HD1  LEU  40          HD11      LEU  40  19.337   0.760 -13.116
  321   2HD1  LEU  40          HD12      LEU  40  18.440   1.334 -11.674
  322   3HD1  LEU  40          HD13      LEU  40  18.278   2.168 -13.222
  323   1HD2  LEU  40          HD21      LEU  40  20.496   4.445 -11.255
  324   2HD2  LEU  40          HD22      LEU  40  18.963   4.353 -12.118
  325   3HD2  LEU  40          HD23      LEU  40  19.152   3.521 -10.567
  326    H    VAL  41           H        VAL  41  19.364  -0.360 -11.303
  327    HA   VAL  41           HA       VAL  41  20.980  -2.792 -10.716
  328    HB   VAL  41           HB       VAL  41  17.955  -2.655 -10.851
  329   1HG1  VAL  41          HG11      VAL  41  18.865  -4.792 -11.653
  330   2HG1  VAL  41          HG12      VAL  41  19.902  -4.923 -10.211
  331   3HG1  VAL  41          HG13      VAL  41  18.139  -5.029 -10.066
  332   1HG2  VAL  41          HG21      VAL  41  18.047  -3.288  -8.423
  333   2HG2  VAL  41          HG22      VAL  41  19.795  -2.979  -8.438
  334   3HG2  VAL  41          HG23      VAL  41  18.641  -1.659  -8.732
  335    HA   PRO  42           HA       PRO  42  20.715  -1.531 -15.083
  336   1HB   PRO  42          HB2       PRO  42  23.288  -2.033 -15.915
  337   2HB   PRO  42          HB3       PRO  42  22.857  -0.649 -14.875
  338   1HG   PRO  42          HG2       PRO  42  23.866  -3.375 -13.989
  339   2HG   PRO  42          HG3       PRO  42  24.528  -1.762 -13.556
  340   1HD   PRO  42          HD2       PRO  42  22.780  -3.053 -11.932
  341   2HD   PRO  42          HD3       PRO  42  22.684  -1.279 -12.161
  342    H    ASN  43           H        ASN  43  19.859  -4.042 -14.041
  343    HA   ASN  43           HA       ASN  43  19.829  -5.543 -16.518
  344   1HB   ASN  43          HB2       ASN  43  19.807  -7.699 -15.451
  345   2HB   ASN  43          HB3       ASN  43  21.265  -6.849 -14.972
  346   1HD2  ASN  43          HD22      ASN  43  21.653  -6.624 -12.741
  347   2HD2  ASN  43          HD21      ASN  43  20.489  -7.043 -11.510
  348    H    ARG  44           H        ARG  44  18.098  -3.829 -14.097
  349    HA   ARG  44           HA       ARG  44  15.611  -4.757 -15.434
  350   1HB   ARG  44          HB2       ARG  44  16.132  -4.443 -12.477
  351   2HB   ARG  44          HB3       ARG  44  14.560  -3.969 -13.129
  352   1HG   ARG  44          HG2       ARG  44  14.329  -6.243 -14.176
  353   2HG   ARG  44          HG3       ARG  44  15.843  -6.718 -13.395
  354   1HD   ARG  44          HD2       ARG  44  13.932  -7.510 -12.114
  355   2HD   ARG  44          HD3       ARG  44  14.833  -6.310 -11.173
  356    HE   ARG  44           HE       ARG  44  12.853  -4.869 -12.502
  357   1HH1  ARG  44          HH21      ARG  44  12.867  -7.584 -10.226
  358   2HH1  ARG  44          HH22      ARG  44  11.369  -7.171  -9.481
  359   1HH2  ARG  44          HH11      ARG  44  10.839  -4.231 -11.424
  360   2HH2  ARG  44          HH12      ARG  44  10.194  -5.276 -10.216
  361    H    HIS  45           H        HIS  45  17.364  -2.097 -13.856
  362    HA   HIS  45           HA       HIS  45  17.233   0.081 -13.891
  363   1HB   HIS  45          HB2       HIS  45  15.711  -0.145 -16.500
  364   2HB   HIS  45          HB3       HIS  45  16.507   1.287 -15.868
  365    HD1  HIS  45           HD1      HIS  45  19.111   1.493 -16.306
  366    HD2  HIS  45           HD2      HIS  45  17.356  -2.171 -17.417
  367    HE1  HIS  45           HE1      HIS  45  20.886   0.208 -17.615
  368    H    ASP  46           H        ASP  46  14.185  -1.555 -14.118
  369    HA   ASP  46           HA       ASP  46  12.345   0.532 -13.644
  370   1HB   ASP  46          HB2       ASP  46  11.659  -1.510 -14.644
  371   2HB   ASP  46          HB3       ASP  46  12.419  -2.482 -13.393
  372    H    ILE  47           H        ILE  47  14.608  -0.945 -11.498
  373    HA   ILE  47           HA       ILE  47  13.367   0.387  -9.225
  374    HB   ILE  47           HB       ILE  47  13.476  -1.376  -7.747
  375   1HG1  ILE  47          HG12      ILE  47  15.694  -2.256  -8.211
  376   2HG1  ILE  47          HG13      ILE  47  14.493  -3.507  -7.954
  377   1HG2  ILE  47          HG21      ILE  47  12.555  -2.753 -10.296
  378   2HG2  ILE  47          HG22      ILE  47  12.120  -3.192  -8.631
  379   3HG2  ILE  47          HG23      ILE  47  11.587  -1.647  -9.323
  380   1HD1  ILE  47          HD11      ILE  47  15.606  -2.696 -10.659
  381   2HD1  ILE  47          HD12      ILE  47  16.069  -4.108  -9.686
  382   3HD1  ILE  47          HD13      ILE  47  14.434  -4.000 -10.345
  383    H    ALA  48           H        ALA  48  14.959   0.832  -7.504
  384    HA   ALA  48           HA       ALA  48  17.808   0.611  -8.103
  385   1HB   ALA  48          HB1       ALA  48  17.089   2.534  -9.578
  386   2HB   ALA  48          HB2       ALA  48  16.449   3.351  -8.131
  387   3HB   ALA  48          HB3       ALA  48  18.189   3.041  -8.284
  388    H    PHE  49           H        PHE  49  19.026   2.024  -6.423
  389    HA   PHE  49           HA       PHE  49  17.470   2.411  -3.939
  390   1HB   PHE  49          HB2       PHE  49  20.274   1.256  -4.175
  391   2HB   PHE  49          HB3       PHE  49  19.502   1.719  -2.674
  392    HD1  PHE  49           HD1      PHE  49  19.170  -0.643  -5.587
  393    HD2  PHE  49           HD2      PHE  49  18.223   0.153  -1.450
  394    HE1  PHE  49           HE1      PHE  49  18.209  -2.920  -5.381
  395    HE2  PHE  49           HE2      PHE  49  17.338  -2.161  -1.222
  396    HZ   PHE  49           HZ       PHE  49  17.326  -3.696  -3.180
  397    H    VAL  50           H        VAL  50  18.234   4.191  -2.683
  398    HA   VAL  50           HA       VAL  50  20.332   5.939  -3.847
  399    HB   VAL  50           HB       VAL  50  17.592   6.922  -2.933
  400   1HG1  VAL  50          HG11      VAL  50  19.930   8.394  -4.227
  401   2HG1  VAL  50          HG12      VAL  50  18.331   9.088  -3.891
  402   3HG1  VAL  50          HG13      VAL  50  19.366   8.578  -2.556
  403   1HG2  VAL  50          HG21      VAL  50  18.659   6.685  -5.776
  404   2HG2  VAL  50          HG22      VAL  50  17.296   5.798  -5.080
  405   3HG2  VAL  50          HG23      VAL  50  17.176   7.545  -5.297
  406    H    GLU  51           H        GLU  51  21.383   7.219  -2.158
  407    HA   GLU  51           HA       GLU  51  20.776   6.383   0.623
  408   1HB   GLU  51          HB2       GLU  51  22.307   4.759  -0.336
  409   2HB   GLU  51          HB3       GLU  51  23.396   6.037  -0.890
  410   1HG   GLU  51          HG2       GLU  51  23.977   6.670   1.331
  411   2HG   GLU  51          HG3       GLU  51  22.708   5.674   2.047
  412    H    PHE  52           H        PHE  52  21.528   7.755   2.168
  413    HA   PHE  52           HA       PHE  52  22.371  10.495   1.375
  414   1HB   PHE  52          HB2       PHE  52  19.957   9.466   2.894
  415   2HB   PHE  52          HB3       PHE  52  20.618  11.028   3.289
  416    HD1  PHE  52           HD1      PHE  52  19.266   9.117   0.296
  417    HD2  PHE  52           HD2      PHE  52  20.065  12.926   2.138
  418    HE1  PHE  52           HE1      PHE  52  18.145  10.277  -1.583
  419    HE2  PHE  52           HE2      PHE  52  18.948  14.081   0.261
  420    HZ   PHE  52           HZ       PHE  52  18.051  12.766  -1.636
  421    H    THR  53           H        THR  53  23.091  11.753   3.296
  422    HA   THR  53           HA       THR  53  24.792  10.295   5.084
  423    HB   THR  53           HB       THR  53  23.767  13.156   5.158
  424    HG1  THR  53           HG1      THR  53  25.672  13.599   4.121
  425   1HG2  THR  53          HG21      THR  53  26.111  11.872   6.636
  426   2HG2  THR  53          HG22      THR  53  25.674  13.603   6.655
  427   3HG2  THR  53          HG23      THR  53  24.597  12.402   7.385
  428    H    THR  54           H        THR  54  21.528  11.861   5.598
  429    HA   THR  54           HA       THR  54  21.358  10.188   8.064
  430    HB   THR  54           HB       THR  54  20.187  11.949   9.192
  431    HG1  THR  54           HG1      THR  54  20.771  13.578   6.960
  432   1HG2  THR  54          HG21      THR  54  22.725  11.951   9.293
  433   2HG2  THR  54          HG22      THR  54  22.683  13.272   8.094
  434   3HG2  THR  54          HG23      THR  54  21.922  13.484   9.678
  435    H    GLU  55           H        GLU  55  19.436   9.654   8.750
  436    HA   GLU  55           HA       GLU  55  17.506   8.672   6.910
  437   1HB   GLU  55          HB2       GLU  55  16.989   9.210   9.862
  438   2HB   GLU  55          HB3       GLU  55  16.259   8.000   8.821
  439   1HG   GLU  55          HG2       GLU  55  17.690   6.633   9.919
  440   2HG   GLU  55          HG3       GLU  55  18.793   7.114   8.640
  441    H    LEU  56           H        LEU  56  17.755  11.768   8.564
  442    HA   LEU  56           HA       LEU  56  14.987  12.579   8.173
  443   1HB   LEU  56          HB2       LEU  56  17.574  13.980   8.950
  444   2HB   LEU  56          HB3       LEU  56  16.147  14.909   8.501
  445    HG   LEU  56           HG       LEU  56  14.818  13.862  10.277
  446   1HD1  LEU  56          HD11      LEU  56  15.960  12.592  12.102
  447   2HD1  LEU  56          HD12      LEU  56  15.897  11.695  10.588
  448   3HD1  LEU  56          HD13      LEU  56  17.416  12.479  11.090
  449   1HD2  LEU  56          HD21      LEU  56  15.910  15.021  12.157
  450   2HD2  LEU  56          HD22      LEU  56  17.439  15.079  11.251
  451   3HD2  LEU  56          HD23      LEU  56  16.020  15.980  10.674
  452    H    GLN  57           H        GLN  57  18.093  13.037   6.442
  453    HA   GLN  57           HA       GLN  57  16.960  14.878   4.527
  454   1HB   GLN  57          HB2       GLN  57  19.543  13.281   4.546
  455   2HB   GLN  57          HB3       GLN  57  19.135  14.523   3.346
  456   1HG   GLN  57          HG2       GLN  57  19.166  16.284   4.912
  457   2HG   GLN  57          HG3       GLN  57  19.122  15.207   6.301
  458   1HE2  GLN  57          HE22      GLN  57  21.182  17.332   5.120
  459   2HE2  GLN  57          HE21      GLN  57  22.692  16.489   5.342
  460    H    SER  58           H        SER  58  17.676  11.291   4.447
  461    HA   SER  58           HA       SER  58  16.700  10.915   1.791
  462   1HB   SER  58          HB2       SER  58  16.210   8.570   2.625
  463   2HB   SER  58          HB3       SER  58  17.881   9.103   2.798
  464    HG   SER  58           HG       SER  58  16.646   8.080   4.679
  465    H    ASN  59           H        ASN  59  14.981  10.876   4.989
  466    HA   ASN  59           HA       ASN  59  12.436  10.276   3.974
  467   1HB   ASN  59          HB2       ASN  59  12.838  10.315   6.370
  468   2HB   ASN  59          HB3       ASN  59  13.189  12.038   6.332
  469   1HD2  ASN  59          HD21      ASN  59  11.482  13.301   7.025
  470   2HD2  ASN  59          HD22      ASN  59   9.800  12.891   6.826
  471    H    ALA  60           H        ALA  60  13.884  13.539   4.387
  472    HA   ALA  60           HA       ALA  60  11.644  14.939   3.331
  473   1HB   ALA  60          HB1       ALA  60  13.448  16.039   4.582
  474   2HB   ALA  60          HB2       ALA  60  14.587  15.718   3.247
  475   3HB   ALA  60          HB3       ALA  60  13.200  16.805   3.000
  476    H    ALA  61           H        ALA  61  14.505  13.609   1.648
  477    HA   ALA  61           HA       ALA  61  13.782  14.564  -0.943
  478   1HB   ALA  61          HB1       ALA  61  15.358  12.918  -1.764
  479   2HB   ALA  61          HB2       ALA  61  16.041  13.748  -0.349
  480   3HB   ALA  61          HB3       ALA  61  15.403  12.091  -0.193
  481    H    LYS  62           H        LYS  62  12.965  11.523   0.781
  482    HA   LYS  62           HA       LYS  62  11.533  10.254  -1.319
  483   1HB   LYS  62          HB2       LYS  62  12.129   8.957   0.583
  484   2HB   LYS  62          HB3       LYS  62  11.427  10.108   1.709
  485   1HG   LYS  62          HG2       LYS  62   9.155   9.536   0.954
  486   2HG   LYS  62          HG3       LYS  62   9.823   8.352  -0.180
  487   1HD   LYS  62          HD2       LYS  62  10.668   6.986   1.596
  488   2HD   LYS  62          HD3       LYS  62  10.408   8.244   2.810
  489   1HE   LYS  62          HE2       LYS  62   8.120   7.024   1.220
  490   2HE   LYS  62          HE3       LYS  62   8.712   6.303   2.721
  491   1HZ   LYS  62          HZ1       LYS  62   7.665   9.096   2.546
  492   2HZ   LYS  62          HZ2       LYS  62   6.832   7.800   3.096
  493   3HZ   LYS  62          HZ3       LYS  62   8.153   8.321   3.891
  494    H    GLU  63           H        GLU  63  10.306  12.431   1.329
  495    HA   GLU  63           HA       GLU  63   7.659  12.440   0.320
  496   1HB   GLU  63          HB2       GLU  63   9.115  14.612   1.895
  497   2HB   GLU  63          HB3       GLU  63   7.373  14.539   1.642
  498   1HG   GLU  63          HG2       GLU  63   9.057  12.565   3.222
  499   2HG   GLU  63          HG3       GLU  63   7.923  13.730   3.857
  500    H    ALA  64           H        ALA  64  10.457  14.414  -0.574
  501    HA   ALA  64           HA       ALA  64   9.051  16.323  -2.150
  502   1HB   ALA  64          HB1       ALA  64  11.939  15.386  -2.341
  503   2HB   ALA  64          HB2       ALA  64  11.279  16.901  -2.987
  504   3HB   ALA  64          HB3       ALA  64  11.333  16.637  -1.228
  505    H    LEU  65           H        LEU  65  10.584  13.171  -3.055
  506    HA   LEU  65           HA       LEU  65   9.728  13.670  -5.878
  507   1HB   LEU  65          HB2       LEU  65  12.004  12.010  -4.752
  508   2HB   LEU  65          HB3       LEU  65  11.538  12.039  -6.447
  509    HG   LEU  65           HG       LEU  65  12.610  14.389  -4.860
  510   1HD1  LEU  65          HD11      LEU  65  14.540  14.172  -6.405
  511   2HD1  LEU  65          HD12      LEU  65  14.289  12.694  -5.464
  512   3HD1  LEU  65          HD13      LEU  65  13.776  12.754  -7.157
  513   1HD2  LEU  65          HD21      LEU  65  11.764  14.255  -7.789
  514   2HD2  LEU  65          HD22      LEU  65  11.045  15.279  -6.524
  515   3HD2  LEU  65          HD23      LEU  65  12.696  15.579  -7.057
  516    H    GLN  66           H        GLN  66   8.599  11.778  -3.317
  517    HA   GLN  66           HA       GLN  66   7.967   9.402  -4.754
  518   1HB   GLN  66          HB2       GLN  66   6.642  10.883  -2.474
  519   2HB   GLN  66          HB3       GLN  66   5.709   9.657  -3.336
  520   1HG   GLN  66          HG2       GLN  66   7.542   8.002  -2.960
  521   2HG   GLN  66          HG3       GLN  66   8.352   9.170  -1.921
  522   1HE2  GLN  66          HE22      GLN  66   7.142   6.447  -1.267
  523   2HE2  GLN  66          HE21      GLN  66   5.912   6.766  -0.071
  524    H    GLY  67           H        GLY  67   6.776   9.025  -6.472
  525   1HA   GLY  67          HA2       GLY  67   5.054   9.131  -7.984
  526   2HA   GLY  67          HA3       GLY  67   4.419  10.591  -7.212
  527    H    PHE  68           H        PHE  68   7.796  10.945  -7.888
  528    HA   PHE  68           HA       PHE  68   7.226  13.069  -9.752
  529   1HB   PHE  68          HB2       PHE  68   9.079  13.162  -8.141
  530   2HB   PHE  68          HB3       PHE  68   9.841  11.761  -8.890
  531    HD1  PHE  68           HD1      PHE  68  11.086  11.970 -10.984
  532    HD2  PHE  68           HD2      PHE  68   9.043  15.366  -9.275
  533    HE1  PHE  68           HE1      PHE  68  12.318  13.485 -12.511
  534    HE2  PHE  68           HE2      PHE  68  10.287  16.877 -10.803
  535    HZ   PHE  68           HZ       PHE  68  11.929  15.939 -12.422
  536    H    LYS  69           H        LYS  69   6.935  12.862 -11.916
  537    HA   LYS  69           HA       LYS  69   7.415  10.387 -13.368
  538   1HB   LYS  69          HB2       LYS  69   6.492  13.156 -14.090
  539   2HB   LYS  69          HB3       LYS  69   7.374  12.275 -15.336
  540   1HG   LYS  69          HG2       LYS  69   5.090  11.831 -15.694
  541   2HG   LYS  69          HG3       LYS  69   5.870  10.360 -15.136
  542   1HD   LYS  69          HD2       LYS  69   4.989  10.865 -12.801
  543   2HD   LYS  69          HD3       LYS  69   4.011  12.149 -13.519
  544   1HE   LYS  69          HE2       LYS  69   3.997   9.217 -14.393
  545   2HE   LYS  69          HE3       LYS  69   2.869   9.895 -13.204
  546   1HZ   LYS  69          HZ1       LYS  69   1.779   9.888 -15.278
  547   2HZ   LYS  69          HZ2       LYS  69   2.130  11.453 -14.993
  548   3HZ   LYS  69          HZ3       LYS  69   3.016  10.575 -16.078
  549    H    ILE  70           H        ILE  70   9.415   9.611 -13.511
  550    HA   ILE  70           HA       ILE  70  11.785  11.348 -13.860
  551    HB   ILE  70           HB       ILE  70  11.411   8.366 -14.225
  552   1HG1  ILE  70          HG12      ILE  70  12.778   9.879 -11.954
  553   2HG1  ILE  70          HG13      ILE  70  11.117   9.302 -11.872
  554   1HG2  ILE  70          HG21      ILE  70  13.912   8.327 -14.211
  555   2HG2  ILE  70          HG22      ILE  70  13.302   9.291 -15.557
  556   3HG2  ILE  70          HG23      ILE  70  13.928  10.099 -14.105
  557   1HD1  ILE  70          HD11      ILE  70  11.855   6.979 -12.189
  558   2HD1  ILE  70          HD12      ILE  70  13.555   7.513 -12.213
  559   3HD1  ILE  70          HD13      ILE  70  12.578   7.731 -10.763
  560    H    THR  71           H        THR  71   9.569   9.232 -15.815
  561    HA   THR  71           HA       THR  71   9.859  11.082 -18.069
  562    HB   THR  71           HB       THR  71   9.645   9.083 -19.604
  563    HG1  THR  71           HG1      THR  71  10.167   7.077 -18.808
  564   1HG2  THR  71          HG21      THR  71  11.861  10.189 -19.267
  565   2HG2  THR  71          HG22      THR  71  12.214   9.043 -17.956
  566   3HG2  THR  71          HG23      THR  71  12.006   8.459 -19.619
  567    HA   PRO  72           HA       PRO  72   5.700  11.645 -17.951
  568   1HB   PRO  72          HB2       PRO  72   5.266  10.218 -20.586
  569   2HB   PRO  72          HB3       PRO  72   4.553  11.764 -20.017
  570   1HG   PRO  72          HG2       PRO  72   6.714  11.820 -21.631
  571   2HG   PRO  72          HG3       PRO  72   6.669  12.883 -20.185
  572   1HD   PRO  72          HD2       PRO  72   8.102  10.258 -20.555
  573   2HD   PRO  72          HD3       PRO  72   8.666  11.751 -19.749
  574    H    THR  73           H        THR  73   6.352   8.200 -18.464
  575    HA   THR  73           HA       THR  73   3.743   7.529 -17.222
  576    HB   THR  73           HB       THR  73   4.069   5.378 -18.628
  577    HG1  THR  73           HG1      THR  73   5.479   5.534 -20.328
  578   1HG2  THR  73          HG21      THR  73   3.695   7.998 -20.157
  579   2HG2  THR  73          HG22      THR  73   3.136   6.385 -20.651
  580   3HG2  THR  73          HG23      THR  73   2.436   7.162 -19.222
  581    H    HIS  74           H        HIS  74   6.716   7.912 -16.169
  582    HA   HIS  74           HA       HIS  74   6.710   5.419 -14.532
  583   1HB   HIS  74          HB2       HIS  74   9.094   6.724 -15.874
  584   2HB   HIS  74          HB3       HIS  74   9.179   5.497 -14.614
  585    HD1  HIS  74           HD1      HIS  74   8.880   2.976 -15.375
  586    HD2  HIS  74           HD2      HIS  74   8.021   5.870 -18.308
  587    HE1  HIS  74           HE1      HIS  74   8.486   1.705 -17.537
  588    H    ALA  75           H        ALA  75   5.432   6.768 -13.205
  589    HA   ALA  75           HA       ALA  75   6.564   8.990 -11.718
  590   1HB   ALA  75          HB1       ALA  75   4.677   8.544 -10.177
  591   2HB   ALA  75          HB2       ALA  75   4.121   8.659 -11.849
  592   3HB   ALA  75          HB3       ALA  75   4.273   7.070 -11.073
  593    H    MET  76           H        MET  76   8.422   8.608 -10.680
  594    HA   MET  76           HA       MET  76   9.554   6.318  -9.651
  595   1HB   MET  76          HB2       MET  76  10.552   8.593  -9.905
  596   2HB   MET  76          HB3       MET  76   9.598   9.165  -8.545
  597   1HG   MET  76          HG2       MET  76  10.767   7.357  -7.149
  598   2HG   MET  76          HG3       MET  76  11.859   7.149  -8.519
  599   1HE   MET  76          HE1       MET  76  12.046  10.309  -9.545
  600   2HE   MET  76          HE2       MET  76  13.479  10.837  -8.642
  601   3HE   MET  76          HE3       MET  76  13.475   9.252  -9.435
  602    H    LYS  77           H        LYS  77   8.721   4.861  -8.197
  603    HA   LYS  77           HA       LYS  77   7.129   5.882  -5.873
  604   1HB   LYS  77          HB2       LYS  77   7.749   3.132  -6.979
  605   2HB   LYS  77          HB3       LYS  77   7.151   3.372  -5.327
  606   1HG   LYS  77          HG2       LYS  77   5.174   4.625  -6.368
  607   2HG   LYS  77          HG3       LYS  77   5.709   3.995  -7.934
  608   1HD   LYS  77          HD2       LYS  77   5.016   2.317  -5.475
  609   2HD   LYS  77          HD3       LYS  77   3.920   2.613  -6.828
  610   1HE   LYS  77          HE2       LYS  77   5.263   1.368  -8.354
  611   2HE   LYS  77          HE3       LYS  77   6.646   1.335  -7.249
  612   1HZ   LYS  77          HZ1       LYS  77   4.093  -0.053  -6.701
  613   2HZ   LYS  77          HZ2       LYS  77   5.426  -0.769  -7.312
  614   3HZ   LYS  77          HZ3       LYS  77   5.478  -0.138  -5.810
  615    H    ILE  78           H        ILE  78   8.052   5.648  -3.788
  616    HA   ILE  78           HA       ILE  78  10.909   4.898  -3.585
  617    HB   ILE  78           HB       ILE  78   9.755   7.400  -2.315
  618   1HG1  ILE  78          HG12      ILE  78  11.441   7.360  -4.846
  619   2HG1  ILE  78          HG13      ILE  78   9.749   7.827  -4.737
  620   1HG2  ILE  78          HG21      ILE  78  11.733   6.337  -1.191
  621   2HG2  ILE  78          HG22      ILE  78  12.659   6.597  -2.682
  622   3HG2  ILE  78          HG23      ILE  78  12.036   7.961  -1.743
  623   1HD1  ILE  78          HD11      ILE  78  12.089   9.304  -3.491
  624   2HD1  ILE  78          HD12      ILE  78  11.070   9.805  -4.838
  625   3HD1  ILE  78          HD13      ILE  78  10.378   9.686  -3.212
  626    H    THR  79           H        THR  79  11.327   3.929  -1.622
  627    HA   THR  79           HA       THR  79   9.463   4.071   0.628
  628    HB   THR  79           HB       THR  79  10.090   1.356   0.535
  629    HG1  THR  79           HG1      THR  79  10.654   1.753  -1.763
  630   1HG2  THR  79          HG21      THR  79   7.716   1.022   0.159
  631   2HG2  THR  79          HG22      THR  79   7.921   2.454   1.157
  632   3HG2  THR  79          HG23      THR  79   7.556   2.636  -0.574
  633    H    PHE  80           H        PHE  80  10.636   2.817   2.560
  634    HA   PHE  80           HA       PHE  80  13.420   3.821   2.528
  635   1HB   PHE  80          HB2       PHE  80  11.632   2.703   4.707
  636   2HB   PHE  80          HB3       PHE  80  13.354   2.997   4.934
  637    HD1  PHE  80           HD1      PHE  80  10.113   4.506   5.127
  638    HD2  PHE  80           HD2      PHE  80  14.264   5.379   4.338
  639    HE1  PHE  80           HE1      PHE  80   9.708   6.903   5.606
  640    HE2  PHE  80           HE2      PHE  80  13.842   7.786   4.762
  641    HZ   PHE  80           HZ       PHE  80  11.555   8.546   5.398
  642    H    ALA  81           H        ALA  81  15.133   2.546   2.316
  643    HA   ALA  81           HA       ALA  81  14.785  -0.366   1.862
  644   1HB   ALA  81          HB1       ALA  81  17.261   1.397   1.681
  645   2HB   ALA  81          HB2       ALA  81  17.170  -0.315   1.237
  646   3HB   ALA  81          HB3       ALA  81  16.270   0.881   0.304
  647    H    LYS  82           H        LYS  82  17.006  -1.412   3.064
  648    HA   LYS  82           HA       LYS  82  16.645  -0.781   5.966
  649   1HB   LYS  82          HB2       LYS  82  16.403  -3.456   4.527
  650   2HB   LYS  82          HB3       LYS  82  16.557  -3.305   6.281
  651   1HG   LYS  82          HG2       LYS  82  14.526  -2.047   6.475
  652   2HG   LYS  82          HG3       LYS  82  14.331  -1.890   4.741
  653   1HD   LYS  82          HD2       LYS  82  14.129  -4.470   6.327
  654   2HD   LYS  82          HD3       LYS  82  12.788  -3.541   5.671
  655   1HE   LYS  82          HE2       LYS  82  14.900  -5.070   4.090
  656   2HE   LYS  82          HE3       LYS  82  13.202  -5.490   4.292
  657   1HZ   LYS  82          HZ1       LYS  82  12.687  -3.348   3.086
  658   2HZ   LYS  82          HZ2       LYS  82  14.275  -3.216   2.740
  659   3HZ   LYS  82          HZ3       LYS  82  13.435  -4.491   2.180
  660    H    LYS  83           H        LYS  83  18.312  -2.103   7.273
  661    HA   LYS  83           HA       LYS  83  20.959  -2.220   5.962
  662   1HB   LYS  83          HB2       LYS  83  20.248  -0.599   8.455
  663   2HB   LYS  83          HB3       LYS  83  21.889  -1.062   8.002
  664   1HG   LYS  83          HG2       LYS  83  21.727   0.230   5.912
  665   2HG   LYS  83          HG3       LYS  83  20.048   0.647   6.275
  666   1HD   LYS  83          HD2       LYS  83  21.420   2.540   6.814
  667   2HD   LYS  83          HD3       LYS  83  20.784   1.858   8.316
  668   1HE   LYS  83          HE2       LYS  83  22.982   0.671   8.649
  669   2HE   LYS  83          HE3       LYS  83  23.593   1.444   7.181
  670   1HZ   LYS  83          HZ1       LYS  83  23.287   3.607   8.284
  671   2HZ   LYS  83          HZ2       LYS  83  22.722   2.867   9.634
  672   3HZ   LYS  83          HZ3       LYS  83  24.262   2.639   9.164
  Start of MODEL   16
    1   1H    ALA   1          H1        ALA   1   3.668  -5.246  -3.043
    2   2H    ALA   1          H2        ALA   1   2.053  -5.212  -2.679
    3   3H    ALA   1          H3        ALA   1   2.768  -3.954  -3.459
    4    HA   ALA   1           HA       ALA   1   2.526  -3.247  -1.260
    5   1HB   ALA   1          HB1       ALA   1   3.376  -4.570   0.637
    6   2HB   ALA   1          HB2       ALA   1   2.190  -5.511  -0.272
    7   3HB   ALA   1          HB3       ALA   1   3.925  -5.849  -0.466
    8    H    GLN   2           H        GLN   2   4.609  -2.780   0.363
    9    HA   GLN   2           HA       GLN   2   7.132  -2.968  -1.044
   10   1HB   GLN   2          HB2       GLN   2   7.645  -0.525  -0.682
   11   2HB   GLN   2          HB3       GLN   2   6.524  -0.863  -1.993
   12   1HG   GLN   2          HG2       GLN   2   4.607  -0.204  -0.616
   13   2HG   GLN   2          HG3       GLN   2   5.644   0.035   0.782
   14   1HE2  GLN   2          HE22      GLN   2   7.842   1.497  -0.686
   15   2HE2  GLN   2          HE21      GLN   2   7.170   3.060  -0.984
   16    H    THR   3           H        THR   3   8.901  -2.830   0.446
   17    HA   THR   3           HA       THR   3   8.194  -3.641   3.131
   18    HB   THR   3           HB       THR   3  10.776  -3.989   3.156
   19    HG1  THR   3           HG1      THR   3  11.385  -2.710   1.452
   20   1HG2  THR   3          HG21      THR   3   9.088  -5.421   1.048
   21   2HG2  THR   3          HG22      THR   3  10.599  -6.013   1.776
   22   3HG2  THR   3          HG23      THR   3   9.154  -5.814   2.779
   23    H    GLU   4           H        GLU   4   7.250  -1.264   3.330
   24    HA   GLU   4           HA       GLU   4   9.106   0.890   3.794
   25   1HB   GLU   4          HB2       GLU   4   6.174   0.394   4.426
   26   2HB   GLU   4          HB3       GLU   4   6.990   1.844   5.016
   27   1HG   GLU   4          HG2       GLU   4   7.059   1.097   2.079
   28   2HG   GLU   4          HG3       GLU   4   5.710   1.983   2.779
   29    H    GLN   5           H        GLN   5   9.535   1.900   5.817
   30    HA   GLN   5           HA       GLN   5   9.501   0.253   8.240
   31   1HB   GLN   5          HB2       GLN   5  12.004   1.207   6.744
   32   2HB   GLN   5          HB3       GLN   5  12.053   0.635   8.398
   33   1HG   GLN   5          HG2       GLN   5  11.206  -1.085   6.035
   34   2HG   GLN   5          HG3       GLN   5  12.812  -1.000   6.713
   35   1HE2  GLN   5          HE22      GLN   5   9.451  -1.992   7.439
   36   2HE2  GLN   5          HE21      GLN   5   9.884  -3.096   8.737
   37    HA   PRO   6           HA       PRO   6   9.913   4.504  10.060
   38   1HB   PRO   6          HB2       PRO   6  12.366   3.390  11.427
   39   2HB   PRO   6          HB3       PRO   6  11.078   4.430  12.109
   40   1HG   PRO   6          HG2       PRO   6  11.088   1.771  12.627
   41   2HG   PRO   6          HG3       PRO   6   9.547   2.591  12.210
   42   1HD   PRO   6          HD2       PRO   6  11.347   0.950  10.422
   43   2HD   PRO   6          HD3       PRO   6   9.564   0.903  10.565
   44    HA   PRO   7           HA       PRO   7  12.737   6.456   7.308
   45   1HB   PRO   7          HB2       PRO   7  13.740   8.113   9.631
   46   2HB   PRO   7          HB3       PRO   7  13.293   8.653   7.981
   47   1HG   PRO   7          HG2       PRO   7  11.541   8.950  10.023
   48   2HG   PRO   7          HG3       PRO   7  10.967   8.354   8.432
   49   1HD   PRO   7          HD2       PRO   7  11.554   6.763  10.935
   50   2HD   PRO   7          HD3       PRO   7  10.205   6.602   9.770
   51    H    ASN   8           H        ASN   8  14.772   6.253   6.457
   52    HA   ASN   8           HA       ASN   8  17.062   5.414   8.100
   53   1HB   ASN   8          HB2       ASN   8  16.009   3.242   7.589
   54   2HB   ASN   8          HB3       ASN   8  15.835   3.699   5.892
   55   1HD2  ASN   8          HD21      ASN   8  17.210   2.297   4.857
   56   2HD2  ASN   8          HD22      ASN   8  18.936   2.191   5.185
   57    H    GLN   9           H        GLN   9  19.025   5.802   6.974
   58    HA   GLN   9           HA       GLN   9  18.906   7.965   5.078
   59   1HB   GLN   9          HB2       GLN   9  21.236   8.151   5.416
   60   2HB   GLN   9          HB3       GLN   9  20.509   7.804   6.970
   61   1HG   GLN   9          HG2       GLN   9  21.199   5.403   6.750
   62   2HG   GLN   9          HG3       GLN   9  21.968   5.781   5.204
   63   1HE2  GLN   9          HE22      GLN   9  23.583   7.764   5.333
   64   2HE2  GLN   9          HE21      GLN   9  24.660   7.721   6.711
   65    H    ILE  10           H        ILE  10  18.185   4.974   4.187
   66    HA   ILE  10           HA       ILE  10  19.515   5.236   1.585
   67    HB   ILE  10           HB       ILE  10  19.307   2.536   2.976
   68   1HG1  ILE  10          HG12      ILE  10  21.766   4.286   2.603
   69   2HG1  ILE  10          HG13      ILE  10  21.032   3.789   4.131
   70   1HG2  ILE  10          HG21      ILE  10  20.737   3.303   0.390
   71   2HG2  ILE  10          HG22      ILE  10  20.563   1.668   1.062
   72   3HG2  ILE  10          HG23      ILE  10  19.155   2.500   0.451
   73   1HD1  ILE  10          HD11      ILE  10  22.550   2.035   2.186
   74   2HD1  ILE  10          HD12      ILE  10  22.951   2.440   3.861
   75   3HD1  ILE  10          HD13      ILE  10  21.562   1.388   3.517
   76    H    LEU  11           H        LEU  11  18.127   4.666  -0.051
   77    HA   LEU  11           HA       LEU  11  15.295   4.059   0.687
   78   1HB   LEU  11          HB2       LEU  11  16.362   5.962  -1.445
   79   2HB   LEU  11          HB3       LEU  11  14.667   5.591  -1.146
   80    HG   LEU  11           HG       LEU  11  16.521   7.025   0.808
   81   1HD1  LEU  11          HD11      LEU  11  14.296   8.116  -0.955
   82   2HD1  LEU  11          HD12      LEU  11  15.213   9.029   0.257
   83   3HD1  LEU  11          HD13      LEU  11  16.036   8.383  -1.168
   84   1HD2  LEU  11          HD21      LEU  11  13.546   6.371   0.947
   85   2HD2  LEU  11          HD22      LEU  11  14.837   5.836   2.049
   86   3HD2  LEU  11          HD23      LEU  11  14.361   7.537   2.010
   87    H    PHE  12           H        PHE  12  14.227   2.755  -0.767
   88    HA   PHE  12           HA       PHE  12  15.790   1.535  -2.997
   89   1HB   PHE  12          HB2       PHE  12  15.312  -0.171  -1.302
   90   2HB   PHE  12          HB3       PHE  12  13.623   0.321  -1.232
   91    HD1  PHE  12           HD1      PHE  12  12.120  -1.123  -2.364
   92    HD2  PHE  12           HD2      PHE  12  16.100  -0.600  -3.934
   93    HE1  PHE  12           HE1      PHE  12  11.677  -2.847  -4.090
   94    HE2  PHE  12           HE2      PHE  12  15.637  -2.276  -5.686
   95    HZ   PHE  12           HZ       PHE  12  13.435  -3.426  -5.764
   96    H    LEU  13           H        LEU  13  14.736   1.646  -4.958
   97    HA   LEU  13           HA       LEU  13  12.232   3.269  -5.054
   98   1HB   LEU  13          HB2       LEU  13  14.934   3.595  -6.420
   99   2HB   LEU  13          HB3       LEU  13  13.461   4.093  -7.214
  100    HG   LEU  13           HG       LEU  13  12.905   5.585  -5.298
  101   1HD1  LEU  13          HD11      LEU  13  14.923   6.330  -3.907
  102   2HD1  LEU  13          HD12      LEU  13  14.211   4.785  -3.458
  103   3HD1  LEU  13          HD13      LEU  13  15.711   4.810  -4.396
  104   1HD2  LEU  13          HD21      LEU  13  14.423   7.322  -6.045
  105   2HD2  LEU  13          HD22      LEU  13  15.566   6.121  -6.677
  106   3HD2  LEU  13          HD23      LEU  13  13.970   6.337  -7.432
  107    H    THR  14           H        THR  14  10.849   2.733  -6.682
  108    HA   THR  14           HA       THR  14  11.522   0.561  -8.578
  109    HB   THR  14           HB       THR  14   9.438  -0.633  -7.944
  110    HG1  THR  14           HG1      THR  14   8.408  -0.100  -6.052
  111   1HG2  THR  14          HG21      THR  14  11.647  -1.319  -6.911
  112   2HG2  THR  14          HG22      THR  14  11.211  -0.349  -5.490
  113   3HG2  THR  14          HG23      THR  14  10.210  -1.735  -5.962
  114    H    ASN  15           H        ASN  15   9.432   0.190  -9.985
  115    HA   ASN  15           HA       ASN  15   8.182   0.931 -11.647
  116   1HB   ASN  15          HB2       ASN  15   6.665   1.502  -9.724
  117   2HB   ASN  15          HB3       ASN  15   7.279   3.154  -9.789
  118   1HD2  ASN  15          HD22      ASN  15   5.896   4.500 -10.868
  119   2HD2  ASN  15          HD21      ASN  15   4.803   4.005 -12.159
  120    H    LEU  16           H        LEU  16  10.907   1.848 -11.514
  121    HA   LEU  16           HA       LEU  16  11.008   4.620 -12.459
  122   1HB   LEU  16          HB2       LEU  16  13.192   2.520 -12.466
  123   2HB   LEU  16          HB3       LEU  16  13.402   4.261 -12.488
  124    HG   LEU  16           HG       LEU  16  12.411   2.616 -10.131
  125   1HD1  LEU  16          HD11      LEU  16  14.805   2.371 -10.684
  126   2HD1  LEU  16          HD12      LEU  16  15.012   4.119 -10.522
  127   3HD1  LEU  16          HD13      LEU  16  14.520   3.144  -9.114
  128   1HD2  LEU  16          HD21      LEU  16  11.478   5.043 -10.346
  129   2HD2  LEU  16          HD22      LEU  16  12.221   4.562  -8.848
  130   3HD2  LEU  16          HD23      LEU  16  13.154   5.542  -9.997
  131    HA   PRO  17           HA       PRO  17  11.016   3.828 -16.908
  132   1HB   PRO  17          HB2       PRO  17  13.890   4.717 -16.911
  133   2HB   PRO  17          HB3       PRO  17  12.576   5.127 -18.057
  134   1HG   PRO  17          HG2       PRO  17  13.281   6.856 -16.111
  135   2HG   PRO  17          HG3       PRO  17  11.542   6.568 -16.459
  136   1HD   PRO  17          HD2       PRO  17  13.206   5.490 -14.209
  137   2HD   PRO  17          HD3       PRO  17  11.509   6.036 -14.197
  138    H    GLU  18           H        GLU  18  11.879   2.257 -18.496
  139    HA   GLU  18           HA       GLU  18  13.432   0.044 -17.304
  140   1HB   GLU  18          HB2       GLU  18  12.239   0.386 -20.090
  141   2HB   GLU  18          HB3       GLU  18  13.047  -1.067 -19.475
  142   1HG   GLU  18          HG2       GLU  18  11.333  -1.114 -17.592
  143   2HG   GLU  18          HG3       GLU  18  10.441   0.135 -18.461
  144    H    GLU  19           H        GLU  19  14.430   2.916 -17.960
  145    HA   GLU  19           HA       GLU  19  16.878   2.215 -19.353
  146   1HB   GLU  19          HB2       GLU  19  15.060   4.579 -20.006
  147   2HB   GLU  19          HB3       GLU  19  16.612   4.279 -20.771
  148   1HG   GLU  19          HG2       GLU  19  14.112   2.561 -21.031
  149   2HG   GLU  19          HG3       GLU  19  14.733   3.695 -22.214
  150    H    THR  20           H        THR  20  15.800   3.189 -16.472
  151    HA   THR  20           HA       THR  20  16.871   5.743 -15.946
  152    HB   THR  20           HB       THR  20  16.957   3.581 -13.849
  153    HG1  THR  20           HG1      THR  20  15.018   2.994 -14.169
  154   1HG2  THR  20          HG21      THR  20  15.843   5.320 -12.502
  155   2HG2  THR  20          HG22      THR  20  17.308   5.979 -13.243
  156   3HG2  THR  20          HG23      THR  20  15.712   6.371 -13.927
  157    H    ASN  21           H        ASN  21  18.882   6.365 -15.022
  158    HA   ASN  21           HA       ASN  21  21.086   4.403 -15.160
  159   1HB   ASN  21          HB2       ASN  21  21.088   5.650 -17.310
  160   2HB   ASN  21          HB3       ASN  21  21.075   7.183 -16.434
  161   1HD2  ASN  21          HD22      ASN  21  23.069   4.305 -17.212
  162   2HD2  ASN  21          HD21      ASN  21  24.576   5.025 -16.717
  163    H    GLU  22           H        GLU  22  22.873   5.087 -13.761
  164    HA   GLU  22           HA       GLU  22  22.178   6.004 -11.233
  165   1HB   GLU  22          HB2       GLU  22  24.226   4.728 -12.028
  166   2HB   GLU  22          HB3       GLU  22  24.899   6.268 -12.575
  167   1HG   GLU  22          HG2       GLU  22  24.704   7.112 -10.204
  168   2HG   GLU  22          HG3       GLU  22  24.136   5.505  -9.728
  169    H    MET  23           H        MET  23  23.322   7.873 -14.025
  170    HA   MET  23           HA       MET  23  23.757  10.333 -12.631
  171   1HB   MET  23          HB2       MET  23  23.177   9.769 -15.567
  172   2HB   MET  23          HB3       MET  23  23.675  11.337 -14.941
  173   1HG   MET  23          HG2       MET  23  25.294   8.768 -14.821
  174   2HG   MET  23          HG3       MET  23  25.582  10.130 -15.891
  175   1HE   MET  23          HE1       MET  23  26.520  12.475 -15.136
  176   2HE   MET  23          HE2       MET  23  25.257  12.701 -13.902
  177   3HE   MET  23          HE3       MET  23  26.966  12.890 -13.467
  178    H    MET  24           H        MET  24  20.818   8.940 -14.061
  179    HA   MET  24           HA       MET  24  19.306  11.383 -14.220
  180   1HB   MET  24          HB2       MET  24  18.391   8.483 -13.891
  181   2HB   MET  24          HB3       MET  24  17.287   9.837 -14.031
  182   1HG   MET  24          HG2       MET  24  19.408   9.136 -16.070
  183   2HG   MET  24          HG3       MET  24  17.724   8.608 -16.148
  184   1HE   MET  24          HE1       MET  24  15.978  11.173 -15.363
  185   2HE   MET  24          HE2       MET  24  15.746  11.849 -16.985
  186   3HE   MET  24          HE3       MET  24  15.690  10.090 -16.745
  187    H    LEU  25           H        LEU  25  19.417   8.784 -11.785
  188    HA   LEU  25           HA       LEU  25  17.694  10.233  -9.973
  189   1HB   LEU  25          HB2       LEU  25  19.561   7.886  -9.472
  190   2HB   LEU  25          HB3       LEU  25  18.368   8.489  -8.321
  191    HG   LEU  25           HG       LEU  25  17.836   7.171 -11.019
  192   1HD1  LEU  25          HD11      LEU  25  16.717   5.478  -9.586
  193   2HD1  LEU  25          HD12      LEU  25  18.445   5.636  -9.240
  194   3HD1  LEU  25          HD13      LEU  25  17.260   6.367  -8.141
  195   1HD2  LEU  25          HD21      LEU  25  15.918   8.555  -9.108
  196   2HD2  LEU  25          HD22      LEU  25  16.150   8.849 -10.852
  197   3HD2  LEU  25          HD23      LEU  25  15.395   7.348 -10.314
  198    H    SER  26           H        SER  26  21.264   9.999 -10.369
  199    HA   SER  26           HA       SER  26  21.897  11.277  -7.900
  200   1HB   SER  26          HB2       SER  26  23.417  11.359 -10.543
  201   2HB   SER  26          HB3       SER  26  24.053  11.824  -8.955
  202    HG   SER  26           HG       SER  26  23.224   9.266  -9.858
  203    H    MET  27           H        MET  27  21.243  12.614 -11.191
  204    HA   MET  27           HA       MET  27  21.573  15.336 -10.504
  205   1HB   MET  27          HB2       MET  27  21.500  14.534 -12.803
  206   2HB   MET  27          HB3       MET  27  19.849  13.942 -12.597
  207   1HG   MET  27          HG2       MET  27  19.848  16.002 -13.834
  208   2HG   MET  27          HG3       MET  27  19.020  16.201 -12.293
  209   1HE   MET  27          HE1       MET  27  18.993  18.773 -12.363
  210   2HE   MET  27          HE2       MET  27  20.391  19.785 -12.792
  211   3HE   MET  27          HE3       MET  27  19.688  18.684 -13.999
  212    H    LEU  28           H        LEU  28  18.649  13.193 -10.332
  213    HA   LEU  28           HA       LEU  28  16.937  15.333  -9.503
  214   1HB   LEU  28          HB2       LEU  28  16.675  12.322  -9.179
  215   2HB   LEU  28          HB3       LEU  28  15.412  13.463  -8.723
  216    HG   LEU  28           HG       LEU  28  16.521  13.179 -11.543
  217   1HD1  LEU  28          HD11      LEU  28  15.256  11.180 -10.787
  218   2HD1  LEU  28          HD12      LEU  28  13.869  12.225 -10.395
  219   3HD1  LEU  28          HD13      LEU  28  14.421  12.055 -12.076
  220   1HD2  LEU  28          HD21      LEU  28  14.161  14.785 -10.482
  221   2HD2  LEU  28          HD22      LEU  28  15.647  15.434 -11.216
  222   3HD2  LEU  28          HD23      LEU  28  14.526  14.508 -12.201
  223    H    PHE  29           H        PHE  29  18.549  12.804  -7.514
  224    HA   PHE  29           HA       PHE  29  17.374  13.989  -5.123
  225   1HB   PHE  29          HB2       PHE  29  19.280  11.672  -5.608
  226   2HB   PHE  29          HB3       PHE  29  18.882  12.263  -4.001
  227    HD1  PHE  29           HD1      PHE  29  16.951  11.677  -2.845
  228    HD2  PHE  29           HD2      PHE  29  17.278  10.773  -7.045
  229    HE1  PHE  29           HE1      PHE  29  14.908  10.284  -2.702
  230    HE2  PHE  29           HE2      PHE  29  15.252   9.373  -6.895
  231    HZ   PHE  29           HZ       PHE  29  14.056   9.130  -4.729
  232    H    ASN  30           H        ASN  30  20.606  14.333  -6.681
  233    HA   ASN  30           HA       ASN  30  21.926  15.212  -4.338
  234   1HB   ASN  30          HB2       ASN  30  23.116  14.481  -6.315
  235   2HB   ASN  30          HB3       ASN  30  22.530  15.889  -7.221
  236   1HD2  ASN  30          HD22      ASN  30  24.178  17.397  -7.443
  237   2HD2  ASN  30          HD21      ASN  30  25.360  17.762  -6.216
  238    H    GLN  31           H        GLN  31  19.434  16.802  -6.060
  239    HA   GLN  31           HA       GLN  31  20.021  19.533  -5.641
  240   1HB   GLN  31          HB2       GLN  31  17.369  18.029  -5.547
  241   2HB   GLN  31          HB3       GLN  31  17.527  19.789  -5.581
  242   1HG   GLN  31          HG2       GLN  31  18.694  19.658  -7.769
  243   2HG   GLN  31          HG3       GLN  31  18.500  17.903  -7.767
  244   1HE2  GLN  31          HE22      GLN  31  16.207  17.058  -7.622
  245   2HE2  GLN  31          HE21      GLN  31  14.941  17.982  -8.422
  246    H    PHE  32           H        PHE  32  19.098  16.963  -3.342
  247    HA   PHE  32           HA       PHE  32  18.464  18.923  -1.243
  248   1HB   PHE  32          HB2       PHE  32  18.626  15.907  -1.032
  249   2HB   PHE  32          HB3       PHE  32  17.843  17.007   0.091
  250    HD1  PHE  32           HD1      PHE  32  17.266  14.751  -2.544
  251    HD2  PHE  32           HD2      PHE  32  15.962  18.618  -1.161
  252    HE1  PHE  32           HE1      PHE  32  15.282  14.585  -3.989
  253    HE2  PHE  32           HE2      PHE  32  13.964  18.450  -2.626
  254    HZ   PHE  32           HZ       PHE  32  13.654  16.444  -4.085
  255    HA   PRO  33           HA       PRO  33  22.737  18.958  -0.085
  256   1HB   PRO  33          HB2       PRO  33  22.679  20.348   2.269
  257   2HB   PRO  33          HB3       PRO  33  22.173  21.057   0.714
  258   1HG   PRO  33          HG2       PRO  33  20.391  19.795   2.824
  259   2HG   PRO  33          HG3       PRO  33  20.225  21.410   2.064
  260   1HD   PRO  33          HD2       PRO  33  18.860  19.238   1.139
  261   2HD   PRO  33          HD3       PRO  33  19.500  20.486   0.027
  262    H    GLY  34           H        GLY  34  21.435  16.414   0.490
  263   1HA   GLY  34          HA2       GLY  34  23.104  15.459   2.762
  264   2HA   GLY  34          HA3       GLY  34  21.372  15.082   2.714
  265    H    PHE  35           H        PHE  35  22.043  15.027  -0.514
  266    HA   PHE  35           HA       PHE  35  21.952  12.257  -0.818
  267   1HB   PHE  35          HB2       PHE  35  21.327  13.870  -2.511
  268   2HB   PHE  35          HB3       PHE  35  22.943  14.573  -2.511
  269    HD1  PHE  35           HD1      PHE  35  24.805  13.529  -3.701
  270    HD2  PHE  35           HD2      PHE  35  20.890  11.736  -3.670
  271    HE1  PHE  35           HE1      PHE  35  25.437  12.099  -5.634
  272    HE2  PHE  35           HE2      PHE  35  21.501  10.352  -5.616
  273    HZ   PHE  35           HZ       PHE  35  23.778  10.525  -6.599
  274    H    LYS  36           H        LYS  36  23.474  10.775  -1.340
  275    HA   LYS  36           HA       LYS  36  26.372  11.468  -1.056
  276   1HB   LYS  36          HB2       LYS  36  25.173   8.826  -0.156
  277   2HB   LYS  36          HB3       LYS  36  26.850   9.294  -0.058
  278   1HG   LYS  36          HG2       LYS  36  24.689  10.758   1.490
  279   2HG   LYS  36          HG3       LYS  36  25.397   9.253   2.058
  280   1HD   LYS  36          HD2       LYS  36  26.458  11.001   3.199
  281   2HD   LYS  36          HD3       LYS  36  27.653  10.336   2.077
  282   1HE   LYS  36          HE2       LYS  36  27.546  12.224   0.655
  283   2HE   LYS  36          HE3       LYS  36  25.942  12.681   1.250
  284   1HZ   LYS  36          HZ1       LYS  36  26.866  13.398   3.287
  285   2HZ   LYS  36          HZ2       LYS  36  28.392  12.913   2.884
  286   3HZ   LYS  36          HZ3       LYS  36  27.678  14.150   2.086
  287    H    GLU  37           H        GLU  37  24.069   8.865  -2.243
  288    HA   GLU  37           HA       GLU  37  25.388   8.908  -4.839
  289   1HB   GLU  37          HB2       GLU  37  26.366   6.646  -4.710
  290   2HB   GLU  37          HB3       GLU  37  27.162   7.787  -3.643
  291   1HG   GLU  37          HG2       GLU  37  25.966   6.830  -1.704
  292   2HG   GLU  37          HG3       GLU  37  25.122   5.707  -2.790
  293    H    VAL  38           H        VAL  38  24.811   6.804  -6.088
  294    HA   VAL  38           HA       VAL  38  22.070   5.834  -5.528
  295    HB   VAL  38           HB       VAL  38  23.195   6.893  -8.157
  296   1HG1  VAL  38          HG11      VAL  38  21.043   6.350  -9.197
  297   2HG1  VAL  38          HG12      VAL  38  21.823   4.893  -8.646
  298   3HG1  VAL  38          HG13      VAL  38  20.481   5.577  -7.694
  299   1HG2  VAL  38          HG21      VAL  38  22.405   8.674  -6.740
  300   2HG2  VAL  38          HG22      VAL  38  21.307   8.462  -8.088
  301   3HG2  VAL  38          HG23      VAL  38  20.849   7.852  -6.483
  302    H    ARG  39           H        ARG  39  21.768   3.698  -6.276
  303    HA   ARG  39           HA       ARG  39  24.013   2.317  -7.632
  304   1HB   ARG  39          HB2       ARG  39  22.542   1.157  -5.228
  305   2HB   ARG  39          HB3       ARG  39  23.715   0.318  -6.247
  306   1HG   ARG  39          HG2       ARG  39  25.458   1.985  -5.568
  307   2HG   ARG  39          HG3       ARG  39  24.268   2.762  -4.505
  308   1HD   ARG  39          HD2       ARG  39  24.023   0.610  -3.256
  309   2HD   ARG  39          HD3       ARG  39  25.333  -0.069  -4.253
  310    HE   ARG  39           HE       ARG  39  26.111   2.455  -3.085
  311   1HH1  ARG  39          HH21      ARG  39  25.733  -0.962  -2.133
  312   2HH1  ARG  39          HH22      ARG  39  26.875  -0.837  -0.846
  313   1HH2  ARG  39          HH11      ARG  39  27.493   2.629  -1.515
  314   2HH2  ARG  39          HH12      ARG  39  27.952   1.306  -0.453
  315    H    LEU  40           H        LEU  40  22.945   2.353  -9.544
  316    HA   LEU  40           HA       LEU  40  20.132   1.707  -9.921
  317   1HB   LEU  40          HB2       LEU  40  22.235   2.899 -11.433
  318   2HB   LEU  40          HB3       LEU  40  21.996   1.353 -12.197
  319    HG   LEU  40           HG       LEU  40  20.748   3.058 -13.314
  320   1HD1  LEU  40          HD11      LEU  40  18.699   1.370 -11.829
  321   2HD1  LEU  40          HD12      LEU  40  18.548   2.130 -13.417
  322   3HD1  LEU  40          HD13      LEU  40  19.700   0.817 -13.217
  323   1HD2  LEU  40          HD21      LEU  40  19.224   3.607 -10.736
  324   2HD2  LEU  40          HD22      LEU  40  20.474   4.647 -11.440
  325   3HD2  LEU  40          HD23      LEU  40  18.968   4.375 -12.313
  326    H    VAL  41           H        VAL  41  19.633  -0.195 -11.367
  327    HA   VAL  41           HA       VAL  41  21.386  -2.564 -10.903
  328    HB   VAL  41           HB       VAL  41  18.362  -2.609 -11.091
  329   1HG1  VAL  41          HG11      VAL  41  18.648  -4.965 -10.373
  330   2HG1  VAL  41          HG12      VAL  41  19.471  -4.662 -11.902
  331   3HG1  VAL  41          HG13      VAL  41  20.410  -4.764 -10.395
  332   1HG2  VAL  41          HG21      VAL  41  18.430  -3.284  -8.666
  333   2HG2  VAL  41          HG22      VAL  41  20.149  -2.840  -8.627
  334   3HG2  VAL  41          HG23      VAL  41  18.904  -1.608  -8.933
  335    HA   PRO  42           HA       PRO  42  21.052  -1.184 -15.248
  336   1HB   PRO  42          HB2       PRO  42  23.652  -1.504 -16.077
  337   2HB   PRO  42          HB3       PRO  42  23.134  -0.163 -15.019
  338   1HG   PRO  42          HG2       PRO  42  24.311  -2.832 -14.164
  339   2HG   PRO  42          HG3       PRO  42  24.874  -1.186 -13.714
  340   1HD   PRO  42          HD2       PRO  42  23.209  -2.595 -12.103
  341   2HD   PRO  42          HD3       PRO  42  23.002  -0.829 -12.320
  342    H    ASN  43           H        ASN  43  20.360  -3.742 -14.208
  343    HA   ASN  43           HA       ASN  43  20.510  -5.330 -16.640
  344   1HB   ASN  43          HB2       ASN  43  20.516  -6.474 -13.810
  345   2HB   ASN  43          HB3       ASN  43  20.354  -7.415 -15.283
  346   1HD2  ASN  43          HD22      ASN  43  22.627  -5.800 -13.165
  347   2HD2  ASN  43          HD21      ASN  43  24.065  -6.244 -14.045
  348    H    ARG  44           H        ARG  44  18.606  -3.575 -14.377
  349    HA   ARG  44           HA       ARG  44  16.193  -4.732 -15.617
  350   1HB   ARG  44          HB2       ARG  44  16.503  -5.933 -13.501
  351   2HB   ARG  44          HB3       ARG  44  16.582  -4.420 -12.621
  352   1HG   ARG  44          HG2       ARG  44  14.474  -5.572 -12.295
  353   2HG   ARG  44          HG3       ARG  44  14.214  -3.998 -13.015
  354   1HD   ARG  44          HD2       ARG  44  14.239  -6.579 -14.650
  355   2HD   ARG  44          HD3       ARG  44  12.790  -5.960 -13.840
  356    HE   ARG  44           HE       ARG  44  14.125  -3.998 -15.508
  357   1HH1  ARG  44          HH21      ARG  44  11.582  -6.480 -15.594
  358   2HH1  ARG  44          HH22      ARG  44  10.773  -5.749 -16.933
  359   1HH2  ARG  44          HH11      ARG  44  13.140  -3.100 -17.222
  360   2HH2  ARG  44          HH12      ARG  44  11.666  -3.720 -17.890
  361    H    HIS  45           H        HIS  45  17.671  -2.017 -13.826
  362    HA   HIS  45           HA       HIS  45  17.400   0.147 -13.868
  363   1HB   HIS  45          HB2       HIS  45  15.856  -0.214 -16.449
  364   2HB   HIS  45          HB3       HIS  45  16.582   1.270 -15.862
  365    HD1  HIS  45           HD1      HIS  45  19.173   1.605 -16.340
  366    HD2  HIS  45           HD2      HIS  45  17.569  -2.142 -17.406
  367    HE1  HIS  45           HE1      HIS  45  20.960   0.418 -17.719
  368    H    ASP  46           H        ASP  46  14.363  -1.590 -14.098
  369    HA   ASP  46           HA       ASP  46  12.534   0.511 -13.568
  370   1HB   ASP  46          HB2       ASP  46  11.871  -1.608 -14.551
  371   2HB   ASP  46          HB3       ASP  46  12.461  -2.498 -13.151
  372    H    ILE  47           H        ILE  47  14.866  -0.952 -11.519
  373    HA   ILE  47           HA       ILE  47  13.692   0.329  -9.193
  374    HB   ILE  47           HB       ILE  47  13.914  -1.442  -7.733
  375   1HG1  ILE  47          HG12      ILE  47  16.119  -2.279  -8.298
  376   2HG1  ILE  47          HG13      ILE  47  14.956  -3.553  -8.005
  377   1HG2  ILE  47          HG21      ILE  47  12.883  -2.802 -10.251
  378   2HG2  ILE  47          HG22      ILE  47  12.552  -3.279  -8.573
  379   3HG2  ILE  47          HG23      ILE  47  11.952  -1.733  -9.197
  380   1HD1  ILE  47          HD11      ILE  47  15.930  -2.698 -10.753
  381   2HD1  ILE  47          HD12      ILE  47  16.469  -4.104  -9.813
  382   3HD1  ILE  47          HD13      ILE  47  14.800  -4.031 -10.399
  383    H    ALA  48           H        ALA  48  15.322   0.786  -7.518
  384    HA   ALA  48           HA       ALA  48  18.161   0.701  -8.186
  385   1HB   ALA  48          HB1       ALA  48  16.645   3.359  -8.153
  386   2HB   ALA  48          HB2       ALA  48  18.400   3.158  -8.338
  387   3HB   ALA  48          HB3       ALA  48  17.306   2.600  -9.619
  388    H    PHE  49           H        PHE  49  19.356   2.097  -6.486
  389    HA   PHE  49           HA       PHE  49  17.807   2.464  -3.995
  390   1HB   PHE  49          HB2       PHE  49  20.591   1.256  -4.223
  391   2HB   PHE  49          HB3       PHE  49  19.831   1.742  -2.725
  392    HD1  PHE  49           HD1      PHE  49  19.445  -0.625  -5.622
  393    HD2  PHE  49           HD2      PHE  49  18.519   0.217  -1.484
  394    HE1  PHE  49           HE1      PHE  49  18.439  -2.882  -5.403
  395    HE2  PHE  49           HE2      PHE  49  17.593  -2.081  -1.244
  396    HZ   PHE  49           HZ       PHE  49  17.552  -3.628  -3.191
  397    H    VAL  50           H        VAL  50  18.693   4.180  -2.663
  398    HA   VAL  50           HA       VAL  50  20.750   5.941  -3.880
  399    HB   VAL  50           HB       VAL  50  18.024   6.885  -2.881
  400   1HG1  VAL  50          HG11      VAL  50  20.260   8.414  -4.279
  401   2HG1  VAL  50          HG12      VAL  50  18.677   9.068  -3.810
  402   3HG1  VAL  50          HG13      VAL  50  19.824   8.550  -2.568
  403   1HG2  VAL  50          HG21      VAL  50  18.995   6.681  -5.757
  404   2HG2  VAL  50          HG22      VAL  50  17.662   5.778  -5.022
  405   3HG2  VAL  50          HG23      VAL  50  17.521   7.523  -5.221
  406    H    GLU  51           H        GLU  51  22.025   6.967  -2.249
  407    HA   GLU  51           HA       GLU  51  21.339   6.278   0.581
  408   1HB   GLU  51          HB2       GLU  51  23.061   4.769  -0.149
  409   2HB   GLU  51          HB3       GLU  51  23.978   6.085  -0.881
  410   1HG   GLU  51          HG2       GLU  51  24.459   7.063   1.307
  411   2HG   GLU  51          HG3       GLU  51  23.449   5.857   2.104
  412    H    PHE  52           H        PHE  52  21.788   7.756   2.071
  413    HA   PHE  52           HA       PHE  52  22.434  10.540   1.281
  414   1HB   PHE  52          HB2       PHE  52  19.947   9.295   2.376
  415   2HB   PHE  52          HB3       PHE  52  20.456  10.753   3.190
  416    HD1  PHE  52           HD1      PHE  52  19.909   9.444  -0.303
  417    HD2  PHE  52           HD2      PHE  52  19.796  12.826   2.363
  418    HE1  PHE  52           HE1      PHE  52  19.067  10.863  -2.138
  419    HE2  PHE  52           HE2      PHE  52  18.900  14.238   0.537
  420    HZ   PHE  52           HZ       PHE  52  18.598  13.274  -1.738
  421    H    THR  53           H        THR  53  22.785  11.883   3.170
  422    HA   THR  53           HA       THR  53  24.749  10.853   4.971
  423    HB   THR  53           HB       THR  53  23.177  13.469   4.849
  424    HG1  THR  53           HG1      THR  53  24.377  13.200   3.045
  425   1HG2  THR  53          HG21      THR  53  25.663  12.782   6.451
  426   2HG2  THR  53          HG22      THR  53  25.077  14.439   6.139
  427   3HG2  THR  53          HG23      THR  53  24.076  13.307   7.064
  428    H    THR  54           H        THR  54  21.326  11.952   5.463
  429    HA   THR  54           HA       THR  54  21.293  10.570   8.079
  430    HB   THR  54           HB       THR  54  19.934  12.862   8.611
  431    HG1  THR  54           HG1      THR  54  21.122  14.597   7.824
  432   1HG2  THR  54          HG21      THR  54  21.702  11.937  10.000
  433   2HG2  THR  54          HG22      THR  54  22.942  12.495   8.861
  434   3HG2  THR  54          HG23      THR  54  21.959  13.672   9.763
  435    H    GLU  55           H        GLU  55  19.380  10.016   8.810
  436    HA   GLU  55           HA       GLU  55  17.529   8.987   6.945
  437   1HB   GLU  55          HB2       GLU  55  16.914   9.437   9.892
  438   2HB   GLU  55          HB3       GLU  55  16.252   8.227   8.802
  439   1HG   GLU  55          HG2       GLU  55  17.697   6.899   9.924
  440   2HG   GLU  55          HG3       GLU  55  18.781   7.411   8.642
  441    H    LEU  56           H        LEU  56  17.490  12.008   8.781
  442    HA   LEU  56           HA       LEU  56  14.760  12.747   8.214
  443   1HB   LEU  56          HB2       LEU  56  17.253  14.217   9.126
  444   2HB   LEU  56          HB3       LEU  56  15.847  15.124   8.576
  445    HG   LEU  56           HG       LEU  56  14.411  14.060  10.255
  446   1HD1  LEU  56          HD11      LEU  56  16.961  12.721  11.264
  447   2HD1  LEU  56          HD12      LEU  56  15.425  12.800  12.152
  448   3HD1  LEU  56          HD13      LEU  56  15.506  11.908  10.636
  449   1HD2  LEU  56          HD21      LEU  56  15.550  16.195  10.736
  450   2HD2  LEU  56          HD22      LEU  56  15.346  15.234  12.207
  451   3HD2  LEU  56          HD23      LEU  56  16.937  15.315  11.414
  452    H    GLN  57           H        GLN  57  17.855  13.105   6.436
  453    HA   GLN  57           HA       GLN  57  16.615  14.975   4.547
  454   1HB   GLN  57          HB2       GLN  57  19.386  13.717   4.588
  455   2HB   GLN  57          HB3       GLN  57  18.797  14.905   3.409
  456   1HG   GLN  57          HG2       GLN  57  18.222  16.406   5.434
  457   2HG   GLN  57          HG3       GLN  57  19.206  15.298   6.395
  458   1HE2  GLN  57          HE22      GLN  57  21.532  15.073   5.774
  459   2HE2  GLN  57          HE21      GLN  57  22.312  16.385   4.889
  460    H    SER  58           H        SER  58  17.485  11.445   4.592
  461    HA   SER  58           HA       SER  58  16.675  11.032   1.857
  462   1HB   SER  58          HB2       SER  58  16.264   8.671   2.662
  463   2HB   SER  58          HB3       SER  58  17.901   9.281   2.918
  464    HG   SER  58           HG       SER  58  16.650   8.181   4.724
  465    H    ASN  59           H        ASN  59  14.900  10.995   5.018
  466    HA   ASN  59           HA       ASN  59  12.357  10.424   3.971
  467   1HB   ASN  59          HB2       ASN  59  12.774  10.464   6.377
  468   2HB   ASN  59          HB3       ASN  59  13.116  12.187   6.322
  469   1HD2  ASN  59          HD22      ASN  59  11.425  13.312   7.234
  470   2HD2  ASN  59          HD21      ASN  59   9.738  12.953   6.973
  471    H    ALA  60           H        ALA  60  13.878  13.660   4.347
  472    HA   ALA  60           HA       ALA  60  11.703  15.114   3.239
  473   1HB   ALA  60          HB1       ALA  60  13.569  16.171   4.468
  474   2HB   ALA  60          HB2       ALA  60  14.676  15.783   3.127
  475   3HB   ALA  60          HB3       ALA  60  13.331  16.915   2.874
  476    H    ALA  61           H        ALA  61  14.537  13.673   1.612
  477    HA   ALA  61           HA       ALA  61  13.875  14.588  -1.011
  478   1HB   ALA  61          HB1       ALA  61  15.432  12.894  -1.778
  479   2HB   ALA  61          HB2       ALA  61  16.113  13.718  -0.359
  480   3HB   ALA  61          HB3       ALA  61  15.423  12.085  -0.196
  481    H    LYS  62           H        LYS  62  13.008  11.611   0.774
  482    HA   LYS  62           HA       LYS  62  11.601  10.295  -1.302
  483   1HB   LYS  62          HB2       LYS  62  12.320   9.162   0.722
  484   2HB   LYS  62          HB3       LYS  62  11.342  10.226   1.733
  485   1HG   LYS  62          HG2       LYS  62   9.271   9.313   0.723
  486   2HG   LYS  62          HG3       LYS  62  10.254   8.226  -0.273
  487   1HD   LYS  62          HD2       LYS  62  11.198   7.211   1.812
  488   2HD   LYS  62          HD3       LYS  62  10.185   8.315   2.772
  489   1HE   LYS  62          HE2       LYS  62   8.159   7.368   1.578
  490   2HE   LYS  62          HE3       LYS  62   9.219   6.169   0.824
  491   1HZ   LYS  62          HZ1       LYS  62   8.720   6.482   3.725
  492   2HZ   LYS  62          HZ2       LYS  62   8.206   5.255   2.762
  493   3HZ   LYS  62          HZ3       LYS  62   9.785   5.401   3.078
  494    H    GLU  63           H        GLU  63  10.388  12.510   1.301
  495    HA   GLU  63           HA       GLU  63   7.700  12.548   0.440
  496   1HB   GLU  63          HB2       GLU  63   9.420  14.640   1.838
  497   2HB   GLU  63          HB3       GLU  63   7.690  14.842   1.597
  498   1HG   GLU  63          HG2       GLU  63   8.857  12.445   3.070
  499   2HG   GLU  63          HG3       GLU  63   8.468  13.961   3.865
  500    H    ALA  64           H        ALA  64  10.486  14.471  -0.631
  501    HA   ALA  64           HA       ALA  64   9.028  16.274  -2.285
  502   1HB   ALA  64          HB1       ALA  64  11.250  16.873  -3.134
  503   2HB   ALA  64          HB2       ALA  64  11.294  16.688  -1.364
  504   3HB   ALA  64          HB3       ALA  64  11.938  15.403  -2.415
  505    H    LEU  65           H        LEU  65  10.639  13.131  -3.051
  506    HA   LEU  65           HA       LEU  65   9.854  13.513  -5.904
  507   1HB   LEU  65          HB2       LEU  65  12.092  11.899  -4.646
  508   2HB   LEU  65          HB3       LEU  65  11.684  11.874  -6.356
  509    HG   LEU  65           HG       LEU  65  12.656  14.320  -4.839
  510   1HD1  LEU  65          HD11      LEU  65  14.000  12.525  -6.907
  511   2HD1  LEU  65          HD12      LEU  65  14.688  14.023  -6.240
  512   3HD1  LEU  65          HD13      LEU  65  14.397  12.629  -5.185
  513   1HD2  LEU  65          HD21      LEU  65  12.017  13.954  -7.805
  514   2HD2  LEU  65          HD22      LEU  65  11.192  15.050  -6.671
  515   3HD2  LEU  65          HD23      LEU  65  12.871  15.347  -7.108
  516    H    GLN  66           H        GLN  66   8.744  11.621  -3.283
  517    HA   GLN  66           HA       GLN  66   8.113   9.245  -4.743
  518   1HB   GLN  66          HB2       GLN  66   6.816  10.664  -2.404
  519   2HB   GLN  66          HB3       GLN  66   5.895   9.428  -3.268
  520   1HG   GLN  66          HG2       GLN  66   7.777   7.819  -2.969
  521   2HG   GLN  66          HG3       GLN  66   8.581   8.990  -1.925
  522   1HE2  GLN  66          HE22      GLN  66   7.455   6.202  -1.308
  523   2HE2  GLN  66          HE21      GLN  66   6.298   6.476  -0.038
  524    H    GLY  67           H        GLY  67   6.877   8.888  -6.430
  525   1HA   GLY  67          HA2       GLY  67   5.105   9.037  -7.887
  526   2HA   GLY  67          HA3       GLY  67   4.526  10.501  -7.090
  527    H    PHE  68           H        PHE  68   7.849  10.972  -7.773
  528    HA   PHE  68           HA       PHE  68   7.252  12.993  -9.710
  529   1HB   PHE  68          HB2       PHE  68   9.118  13.116  -8.097
  530   2HB   PHE  68          HB3       PHE  68   9.885  11.716  -8.841
  531    HD1  PHE  68           HD1      PHE  68   9.117  15.319  -9.199
  532    HD2  PHE  68           HD2      PHE  68  11.063  11.905 -10.985
  533    HE1  PHE  68           HE1      PHE  68  10.348  16.823 -10.742
  534    HE2  PHE  68           HE2      PHE  68  12.274  13.414 -12.537
  535    HZ   PHE  68           HZ       PHE  68  11.925  15.874 -12.417
  536    H    LYS  69           H        LYS  69   6.947  12.727 -11.863
  537    HA   LYS  69           HA       LYS  69   7.443  10.216 -13.246
  538   1HB   LYS  69          HB2       LYS  69   6.461  12.944 -14.033
  539   2HB   LYS  69          HB3       LYS  69   7.349  12.048 -15.267
  540   1HG   LYS  69          HG2       LYS  69   5.032  11.585 -15.537
  541   2HG   LYS  69          HG3       LYS  69   5.902  10.130 -15.058
  542   1HD   LYS  69          HD2       LYS  69   5.090  10.542 -12.672
  543   2HD   LYS  69          HD3       LYS  69   4.066  11.829 -13.305
  544   1HE   LYS  69          HE2       LYS  69   4.015   8.901 -14.201
  545   2HE   LYS  69          HE3       LYS  69   2.934   9.600 -12.986
  546   1HZ   LYS  69          HZ1       LYS  69   2.993  10.248 -15.866
  547   2HZ   LYS  69          HZ2       LYS  69   1.776   9.586 -15.018
  548   3HZ   LYS  69          HZ3       LYS  69   2.152  11.150 -14.765
  549    H    ILE  70           H        ILE  70   9.432   9.468 -13.376
  550    HA   ILE  70           HA       ILE  70  11.788  11.205 -13.810
  551    HB   ILE  70           HB       ILE  70  11.420   8.205 -14.068
  552   1HG1  ILE  70          HG12      ILE  70  12.706   9.788 -11.802
  553   2HG1  ILE  70          HG13      ILE  70  11.068   9.137 -11.748
  554   1HG2  ILE  70          HG21      ILE  70  13.320   9.123 -15.402
  555   2HG2  ILE  70          HG22      ILE  70  13.944   9.917 -13.941
  556   3HG2  ILE  70          HG23      ILE  70  13.898   8.142 -14.059
  557   1HD1  ILE  70          HD11      ILE  70  12.517   7.620 -10.594
  558   2HD1  ILE  70          HD12      ILE  70  11.943   6.843 -12.072
  559   3HD1  ILE  70          HD13      ILE  70  13.605   7.479 -11.977
  560    H    THR  71           H        THR  71   9.573   9.030 -15.624
  561    HA   THR  71           HA       THR  71   9.874  10.663 -18.039
  562    HB   THR  71           HB       THR  71   9.902   7.599 -17.892
  563    HG1  THR  71           HG1      THR  71  11.968   9.451 -18.428
  564   1HG2  THR  71          HG21      THR  71  10.527   7.602 -20.286
  565   2HG2  THR  71          HG22      THR  71   8.890   8.185 -19.999
  566   3HG2  THR  71          HG23      THR  71  10.201   9.346 -20.359
  567    HA   PRO  72           HA       PRO  72   5.696  11.246 -17.644
  568   1HB   PRO  72          HB2       PRO  72   5.230  10.003 -20.362
  569   2HB   PRO  72          HB3       PRO  72   4.453  11.457 -19.648
  570   1HG   PRO  72          HG2       PRO  72   6.578  11.780 -21.268
  571   2HG   PRO  72          HG3       PRO  72   6.518  12.683 -19.716
  572   1HD   PRO  72          HD2       PRO  72   8.046  10.192 -20.400
  573   2HD   PRO  72          HD3       PRO  72   8.565  11.599 -19.428
  574    H    THR  73           H        THR  73   6.305   7.815 -18.298
  575    HA   THR  73           HA       THR  73   3.743   7.163 -16.946
  576    HB   THR  73           HB       THR  73   3.950   4.997 -18.329
  577    HG1  THR  73           HG1      THR  73   5.945   4.989 -19.155
  578   1HG2  THR  73          HG21      THR  73   2.366   6.822 -18.913
  579   2HG2  THR  73          HG22      THR  73   3.625   7.592 -19.904
  580   3HG2  THR  73          HG23      THR  73   2.999   5.989 -20.341
  581    H    HIS  74           H        HIS  74   6.622   7.642 -15.926
  582    HA   HIS  74           HA       HIS  74   6.841   5.162 -14.304
  583   1HB   HIS  74          HB2       HIS  74   9.091   6.621 -15.741
  584   2HB   HIS  74          HB3       HIS  74   9.293   5.349 -14.534
  585    HD1  HIS  74           HD1      HIS  74   8.823   2.819 -15.353
  586    HD2  HIS  74           HD2      HIS  74   8.210   5.857 -18.203
  587    HE1  HIS  74           HE1      HIS  74   8.432   1.650 -17.575
  588    H    ALA  75           H        ALA  75   5.531   6.531 -12.971
  589    HA   ALA  75           HA       ALA  75   6.664   8.802 -11.557
  590   1HB   ALA  75          HB1       ALA  75   4.424   6.860 -10.804
  591   2HB   ALA  75          HB2       ALA  75   4.814   8.379  -9.978
  592   3HB   ALA  75          HB3       ALA  75   4.219   8.415 -11.638
  593    H    MET  76           H        MET  76   8.485   8.534 -10.431
  594    HA   MET  76           HA       MET  76   9.733   6.292  -9.457
  595   1HB   MET  76          HB2       MET  76  10.602   8.624  -9.638
  596   2HB   MET  76          HB3       MET  76   9.627   9.096  -8.253
  597   1HG   MET  76          HG2       MET  76  10.855   7.379  -6.888
  598   2HG   MET  76          HG3       MET  76  11.904   7.086  -8.276
  599   1HE   MET  76          HE1       MET  76  13.538   9.099  -9.323
  600   2HE   MET  76          HE2       MET  76  12.174  10.239  -9.391
  601   3HE   MET  76          HE3       MET  76  13.674  10.693  -8.559
  602    H    LYS  77           H        LYS  77   8.917   4.716  -8.113
  603    HA   LYS  77           HA       LYS  77   7.284   5.532  -5.757
  604   1HB   LYS  77          HB2       LYS  77   6.413   3.594  -6.939
  605   2HB   LYS  77          HB3       LYS  77   8.011   2.862  -7.010
  606   1HG   LYS  77          HG2       LYS  77   6.693   1.699  -5.366
  607   2HG   LYS  77          HG3       LYS  77   8.034   2.517  -4.593
  608   1HD   LYS  77          HD2       LYS  77   6.308   2.867  -3.142
  609   2HD   LYS  77          HD3       LYS  77   6.313   4.400  -4.005
  610   1HE   LYS  77          HE2       LYS  77   4.409   3.647  -5.387
  611   2HE   LYS  77          HE3       LYS  77   4.505   2.033  -4.667
  612   1HZ   LYS  77          HZ1       LYS  77   2.777   3.278  -3.597
  613   2HZ   LYS  77          HZ2       LYS  77   3.978   3.051  -2.502
  614   3HZ   LYS  77          HZ3       LYS  77   3.771   4.512  -3.222
  615    H    ILE  78           H        ILE  78   8.222   5.256  -3.672
  616    HA   ILE  78           HA       ILE  78  11.106   4.604  -3.507
  617    HB   ILE  78           HB       ILE  78   9.848   7.004  -2.142
  618   1HG1  ILE  78          HG12      ILE  78  11.480   7.055  -4.706
  619   2HG1  ILE  78          HG13      ILE  78   9.795   7.525  -4.533
  620   1HG2  ILE  78          HG21      ILE  78  11.880   6.016  -1.057
  621   2HG2  ILE  78          HG22      ILE  78  12.777   6.314  -2.558
  622   3HG2  ILE  78          HG23      ILE  78  12.134   7.656  -1.601
  623   1HD1  ILE  78          HD11      ILE  78  11.105   9.506  -4.676
  624   2HD1  ILE  78          HD12      ILE  78  10.506   9.385  -3.020
  625   3HD1  ILE  78          HD13      ILE  78  12.197   8.988  -3.392
  626    H    THR  79           H        THR  79  11.619   3.624  -1.590
  627    HA   THR  79           HA       THR  79   9.628   3.200   0.564
  628    HB   THR  79           HB       THR  79  11.480   1.092  -0.661
  629    HG1  THR  79           HG1      THR  79  10.042   1.439  -2.238
  630   1HG2  THR  79          HG21      THR  79  10.004  -0.528   0.457
  631   2HG2  THR  79          HG22      THR  79  10.733   0.573   1.630
  632   3HG2  THR  79          HG23      THR  79   9.045   0.804   1.141
  633    H    PHE  80           H        PHE  80  10.784   2.970   2.662
  634    HA   PHE  80           HA       PHE  80  13.574   3.942   2.672
  635   1HB   PHE  80          HB2       PHE  80  11.751   2.863   4.851
  636   2HB   PHE  80          HB3       PHE  80  13.452   3.221   5.120
  637    HD1  PHE  80           HD1      PHE  80  10.252   4.593   5.461
  638    HD2  PHE  80           HD2      PHE  80  14.247   5.641   4.221
  639    HE1  PHE  80           HE1      PHE  80   9.768   6.990   5.904
  640    HE2  PHE  80           HE2      PHE  80  13.738   8.039   4.596
  641    HZ   PHE  80           HZ       PHE  80  11.484   8.710   5.425
  642    H    ALA  81           H        ALA  81  15.328   2.657   2.338
  643    HA   ALA  81           HA       ALA  81  15.008  -0.252   2.019
  644   1HB   ALA  81          HB1       ALA  81  16.528   1.039   0.517
  645   2HB   ALA  81          HB2       ALA  81  17.508   1.484   1.932
  646   3HB   ALA  81          HB3       ALA  81  17.386  -0.207   1.423
  647    H    LYS  82           H        LYS  82  17.022  -1.450   3.188
  648    HA   LYS  82           HA       LYS  82  16.977  -0.741   6.093
  649   1HB   LYS  82          HB2       LYS  82  16.604  -3.456   4.747
  650   2HB   LYS  82          HB3       LYS  82  16.944  -3.255   6.471
  651   1HG   LYS  82          HG2       LYS  82  14.906  -1.943   6.789
  652   2HG   LYS  82          HG3       LYS  82  14.556  -1.980   5.064
  653   1HD   LYS  82          HD2       LYS  82  13.133  -3.579   6.160
  654   2HD   LYS  82          HD3       LYS  82  14.258  -4.402   5.098
  655   1HE   LYS  82          HE2       LYS  82  13.941  -5.640   7.159
  656   2HE   LYS  82          HE3       LYS  82  15.621  -5.127   7.004
  657   1HZ   LYS  82          HZ1       LYS  82  15.226  -3.425   8.641
  658   2HZ   LYS  82          HZ2       LYS  82  13.612  -3.693   8.665
  659   3HZ   LYS  82          HZ3       LYS  82  14.649  -4.820   9.250
  660    H    LYS  83           H        LYS  83  18.776  -2.182   7.216
  661    HA   LYS  83           HA       LYS  83  21.266  -2.163   5.624
  662   1HB   LYS  83          HB2       LYS  83  20.972  -0.829   8.354
  663   2HB   LYS  83          HB3       LYS  83  22.452  -0.999   7.406
  664   1HG   LYS  83          HG2       LYS  83  21.343   0.382   5.585
  665   2HG   LYS  83          HG3       LYS  83  20.021   0.705   6.706
  666   1HD   LYS  83          HD2       LYS  83  22.939   1.504   6.998
  667   2HD   LYS  83          HD3       LYS  83  21.584   2.574   6.681
  668   1HE   LYS  83          HE2       LYS  83  22.124   1.035   9.262
  669   2HE   LYS  83          HE3       LYS  83  22.353   2.761   8.993
  670   1HZ   LYS  83          HZ1       LYS  83  19.767   1.336   9.084
  671   2HZ   LYS  83          HZ2       LYS  83  20.307   2.481  10.107
  672   3HZ   LYS  83          HZ3       LYS  83  19.902   2.882   8.568
  Start of MODEL   17
    1   1H    ALA   1          H1        ALA   1   5.590  -7.714  -1.563
    2   2H    ALA   1          H2        ALA   1   4.702  -7.809  -0.195
    3   3H    ALA   1          H3        ALA   1   3.967  -7.934  -1.660
    4    HA   ALA   1           HA       ALA   1   4.529  -5.682  -2.208
    5   1HB   ALA   1          HB1       ALA   1   3.114  -5.901   0.491
    6   2HB   ALA   1          HB2       ALA   1   3.069  -4.506  -0.605
    7   3HB   ALA   1          HB3       ALA   1   2.350  -6.044  -1.110
    8    H    GLN   2           H        GLN   2   5.973  -4.042  -1.982
    9    HA   GLN   2           HA       GLN   2   8.205  -4.266  -0.259
   10   1HB   GLN   2          HB2       GLN   2   8.823  -2.041  -1.053
   11   2HB   GLN   2          HB3       GLN   2   8.344  -3.127  -2.354
   12   1HG   GLN   2          HG2       GLN   2   6.005  -1.974  -2.201
   13   2HG   GLN   2          HG3       GLN   2   6.822  -0.734  -1.263
   14   1HE2  GLN   2          HE22      GLN   2   8.950   0.216  -2.436
   15   2HE2  GLN   2          HE21      GLN   2   8.792   0.352  -4.182
   16    H    THR   3           H        THR   3   8.557  -3.718   1.792
   17    HA   THR   3           HA       THR   3   6.417  -2.778   3.473
   18    HB   THR   3           HB       THR   3   8.382  -3.108   5.171
   19    HG1  THR   3           HG1      THR   3  10.064  -4.406   4.259
   20   1HG2  THR   3          HG21      THR   3   7.546  -5.459   3.406
   21   2HG2  THR   3          HG22      THR   3   8.187  -5.554   5.061
   22   3HG2  THR   3          HG23      THR   3   6.610  -4.805   4.768
   23    H    GLU   4           H        GLU   4   7.020  -1.106   5.227
   24    HA   GLU   4           HA       GLU   4   8.774   1.080   4.290
   25   1HB   GLU   4          HB2       GLU   4   5.848   1.239   5.034
   26   2HB   GLU   4          HB3       GLU   4   6.904   2.539   5.569
   27   1HG   GLU   4          HG2       GLU   4   6.822   1.664   2.663
   28   2HG   GLU   4          HG3       GLU   4   5.698   2.839   3.332
   29    H    GLN   5           H        GLN   5   9.218   2.520   6.261
   30    HA   GLN   5           HA       GLN   5   9.318   1.144   8.847
   31   1HB   GLN   5          HB2       GLN   5  11.730   1.783   7.066
   32   2HB   GLN   5          HB3       GLN   5  11.892   1.633   8.808
   33   1HG   GLN   5          HG2       GLN   5  10.996  -0.584   6.939
   34   2HG   GLN   5          HG3       GLN   5  12.579  -0.383   7.681
   35   1HE2  GLN   5          HE22      GLN   5   9.236  -1.333   8.281
   36   2HE2  GLN   5          HE21      GLN   5   9.534  -2.058   9.854
   37    HA   PRO   6           HA       PRO   6   9.913   5.553  10.172
   38   1HB   PRO   6          HB2       PRO   6  12.238   4.389  11.702
   39   2HB   PRO   6          HB3       PRO   6  11.002   5.560  12.256
   40   1HG   PRO   6          HG2       PRO   6  10.861   2.959  13.013
   41   2HG   PRO   6          HG3       PRO   6   9.374   3.834  12.520
   42   1HD   PRO   6          HD2       PRO   6  11.071   1.940  10.878
   43   2HD   PRO   6          HD3       PRO   6   9.289   2.004  11.033
   44    HA   PRO   7           HA       PRO   7  12.967   6.988   7.384
   45   1HB   PRO   7          HB2       PRO   7  14.321   8.458   9.650
   46   2HB   PRO   7          HB3       PRO   7  13.974   9.020   7.987
   47   1HG   PRO   7          HG2       PRO   7  12.318   9.711  10.034
   48   2HG   PRO   7          HG3       PRO   7  11.621   9.183   8.468
   49   1HD   PRO   7          HD2       PRO   7  11.946   7.587  11.014
   50   2HD   PRO   7          HD3       PRO   7  10.576   7.624   9.863
   51    H    ASN   8           H        ASN   8  14.931   6.477   6.476
   52    HA   ASN   8           HA       ASN   8  17.089   5.370   8.127
   53   1HB   ASN   8          HB2       ASN   8  15.780   3.348   7.493
   54   2HB   ASN   8          HB3       ASN   8  15.849   3.842   5.797
   55   1HD2  ASN   8          HD22      ASN   8  17.145   2.212   4.943
   56   2HD2  ASN   8          HD21      ASN   8  18.812   1.959   5.433
   57    H    GLN   9           H        GLN   9  19.061   5.372   7.012
   58    HA   GLN   9           HA       GLN   9  19.650   7.709   5.547
   59   1HB   GLN   9          HB2       GLN   9  21.057   6.405   7.197
   60   2HB   GLN   9          HB3       GLN   9  21.269   5.145   5.973
   61   1HG   GLN   9          HG2       GLN   9  22.359   6.732   4.494
   62   2HG   GLN   9          HG3       GLN   9  22.004   8.060   5.623
   63   1HE2  GLN   9          HE22      GLN   9  24.411   8.165   5.056
   64   2HE2  GLN   9          HE21      GLN   9  25.519   7.423   6.216
   65    H    ILE  10           H        ILE  10  18.733   4.563   4.422
   66    HA   ILE  10           HA       ILE  10  19.588   5.165   1.638
   67    HB   ILE  10           HB       ILE  10  19.649   2.502   3.109
   68   1HG1  ILE  10          HG12      ILE  10  21.952   4.211   2.096
   69   2HG1  ILE  10          HG13      ILE  10  21.490   4.029   3.786
   70   1HG2  ILE  10          HG21      ILE  10  20.637   1.545   1.072
   71   2HG2  ILE  10          HG22      ILE  10  19.095   2.253   0.656
   72   3HG2  ILE  10          HG23      ILE  10  20.587   3.127   0.265
   73   1HD1  ILE  10          HD11      ILE  10  21.946   1.568   3.618
   74   2HD1  ILE  10          HD12      ILE  10  22.657   1.871   2.015
   75   3HD1  ILE  10          HD13      ILE  10  23.359   2.625   3.452
   76    H    LEU  11           H        LEU  11  18.186   4.517   0.044
   77    HA   LEU  11           HA       LEU  11  15.355   3.955   0.819
   78   1HB   LEU  11          HB2       LEU  11  16.436   5.733  -1.408
   79   2HB   LEU  11          HB3       LEU  11  14.741   5.446  -1.038
   80    HG   LEU  11           HG       LEU  11  16.718   6.929   0.755
   81   1HD1  LEU  11          HD11      LEU  11  14.454   7.946  -1.008
   82   2HD1  LEU  11          HD12      LEU  11  15.427   8.928   0.108
   83   3HD1  LEU  11          HD13      LEU  11  16.191   8.163  -1.289
   84   1HD2  LEU  11          HD21      LEU  11  15.065   5.887   2.155
   85   2HD2  LEU  11          HD22      LEU  11  14.598   7.584   1.992
   86   3HD2  LEU  11          HD23      LEU  11  13.745   6.340   1.055
   87    H    PHE  12           H        PHE  12  14.230   2.680  -0.684
   88    HA   PHE  12           HA       PHE  12  15.786   1.373  -2.870
   89   1HB   PHE  12          HB2       PHE  12  15.159  -0.294  -1.174
   90   2HB   PHE  12          HB3       PHE  12  13.495   0.292  -1.169
   91    HD1  PHE  12           HD1      PHE  12  11.920  -0.932  -2.450
   92    HD2  PHE  12           HD2      PHE  12  16.049  -0.888  -3.703
   93    HE1  PHE  12           HE1      PHE  12  11.402  -2.558  -4.241
   94    HE2  PHE  12           HE2      PHE  12  15.520  -2.492  -5.509
   95    HZ   PHE  12           HZ       PHE  12  13.198  -3.343  -5.782
   96    H    LEU  13           H        LEU  13  14.798   1.525  -4.869
   97    HA   LEU  13           HA       LEU  13  12.313   3.173  -5.049
   98   1HB   LEU  13          HB2       LEU  13  15.040   3.525  -6.349
   99   2HB   LEU  13          HB3       LEU  13  13.574   4.037  -7.148
  100    HG   LEU  13           HG       LEU  13  12.990   5.425  -5.110
  101   1HD1  LEU  13          HD11      LEU  13  15.107   6.197  -3.837
  102   2HD1  LEU  13          HD12      LEU  13  14.409   4.653  -3.368
  103   3HD1  LEU  13          HD13      LEU  13  15.849   4.674  -4.390
  104   1HD2  LEU  13          HD21      LEU  13  14.416   7.254  -5.863
  105   2HD2  LEU  13          HD22      LEU  13  15.512   6.109  -6.664
  106   3HD2  LEU  13          HD23      LEU  13  13.844   6.333  -7.246
  107    H    THR  14           H        THR  14  11.077   2.841  -6.831
  108    HA   THR  14           HA       THR  14  11.502   0.458  -8.526
  109    HB   THR  14           HB       THR  14   8.934   0.099  -7.686
  110    HG1  THR  14           HG1      THR  14  10.346   1.169  -5.469
  111   1HG2  THR  14          HG21      THR  14  10.456  -1.694  -7.709
  112   2HG2  THR  14          HG22      THR  14  11.453  -0.971  -6.420
  113   3HG2  THR  14          HG23      THR  14   9.820  -1.593  -6.059
  114    H    ASN  15           H        ASN  15   9.603   0.221 -10.042
  115    HA   ASN  15           HA       ASN  15   8.382   0.875 -11.739
  116   1HB   ASN  15          HB2       ASN  15   6.846   1.629  -9.895
  117   2HB   ASN  15          HB3       ASN  15   7.503   3.259 -10.076
  118   1HD2  ASN  15          HD22      ASN  15   6.035   4.520 -11.192
  119   2HD2  ASN  15          HD21      ASN  15   5.032   3.949 -12.519
  120    H    LEU  16           H        LEU  16  11.166   2.024 -11.370
  121    HA   LEU  16           HA       LEU  16  11.225   4.680 -12.479
  122   1HB   LEU  16          HB2       LEU  16  13.473   2.661 -12.494
  123   2HB   LEU  16          HB3       LEU  16  13.610   4.402 -12.494
  124    HG   LEU  16           HG       LEU  16  12.650   2.689 -10.165
  125   1HD1  LEU  16          HD11      LEU  16  15.231   4.212 -10.586
  126   2HD1  LEU  16          HD12      LEU  16  14.757   3.307  -9.126
  127   3HD1  LEU  16          HD13      LEU  16  15.032   2.459 -10.660
  128   1HD2  LEU  16          HD21      LEU  16  12.506   4.665  -8.852
  129   2HD2  LEU  16          HD22      LEU  16  13.311   5.651 -10.087
  130   3HD2  LEU  16          HD23      LEU  16  11.643   5.059 -10.313
  131    HA   PRO  17           HA       PRO  17  11.070   3.962 -16.886
  132   1HB   PRO  17          HB2       PRO  17  13.787   5.163 -17.176
  133   2HB   PRO  17          HB3       PRO  17  12.263   5.572 -18.014
  134   1HG   PRO  17          HG2       PRO  17  13.379   7.036 -15.950
  135   2HG   PRO  17          HG3       PRO  17  11.627   7.017 -16.299
  136   1HD   PRO  17          HD2       PRO  17  13.053   5.795 -14.049
  137   2HD   PRO  17          HD3       PRO  17  11.332   6.156 -14.232
  138    H    GLU  18           H        GLU  18  11.799   2.394 -18.393
  139    HA   GLU  18           HA       GLU  18  13.660   0.360 -17.578
  140   1HB   GLU  18          HB2       GLU  18  13.319  -0.531 -19.833
  141   2HB   GLU  18          HB3       GLU  18  11.783  -0.087 -19.089
  142   1HG   GLU  18          HG2       GLU  18  11.743   2.026 -20.395
  143   2HG   GLU  18          HG3       GLU  18  13.294   1.614 -21.127
  144    H    GLU  19           H        GLU  19  14.251   3.480 -18.619
  145    HA   GLU  19           HA       GLU  19  16.860   2.837 -19.724
  146   1HB   GLU  19          HB2       GLU  19  16.633   4.886 -21.060
  147   2HB   GLU  19          HB3       GLU  19  15.272   3.799 -21.332
  148   1HG   GLU  19          HG2       GLU  19  13.854   5.148 -19.830
  149   2HG   GLU  19          HG3       GLU  19  15.200   6.238 -19.501
  150    H    THR  20           H        THR  20  15.835   3.517 -16.790
  151    HA   THR  20           HA       THR  20  16.942   6.033 -16.063
  152    HB   THR  20           HB       THR  20  16.737   3.605 -14.246
  153    HG1  THR  20           HG1      THR  20  14.743   3.692 -15.084
  154   1HG2  THR  20          HG21      THR  20  16.088   5.341 -12.579
  155   2HG2  THR  20          HG22      THR  20  17.710   5.665 -13.213
  156   3HG2  THR  20          HG23      THR  20  16.315   6.608 -13.797
  157    H    ASN  21           H        ASN  21  18.936   6.557 -15.143
  158    HA   ASN  21           HA       ASN  21  21.086   4.548 -15.187
  159   1HB   ASN  21          HB2       ASN  21  21.255   5.711 -17.370
  160   2HB   ASN  21          HB3       ASN  21  21.184   7.281 -16.567
  161   1HD2  ASN  21          HD22      ASN  21  23.219   4.344 -16.993
  162   2HD2  ASN  21          HD21      ASN  21  24.698   5.114 -16.487
  163    H    GLU  22           H        GLU  22  22.843   5.240 -13.756
  164    HA   GLU  22           HA       GLU  22  22.101   6.244 -11.281
  165   1HB   GLU  22          HB2       GLU  22  24.138   4.896 -11.989
  166   2HB   GLU  22          HB3       GLU  22  24.860   6.402 -12.563
  167   1HG   GLU  22          HG2       GLU  22  24.633   7.313 -10.211
  168   2HG   GLU  22          HG3       GLU  22  24.046   5.721  -9.710
  169    H    MET  23           H        MET  23  23.375   8.050 -14.068
  170    HA   MET  23           HA       MET  23  23.837  10.504 -12.734
  171   1HB   MET  23          HB2       MET  23  24.685   9.809 -15.000
  172   2HB   MET  23          HB3       MET  23  23.051  10.059 -15.639
  173   1HG   MET  23          HG2       MET  23  23.185  12.455 -14.968
  174   2HG   MET  23          HG3       MET  23  24.783  12.168 -14.285
  175   1HE   MET  23          HE1       MET  23  22.610  12.553 -17.509
  176   2HE   MET  23          HE2       MET  23  23.769  12.242 -18.818
  177   3HE   MET  23          HE3       MET  23  23.221  10.904 -17.792
  178    H    MET  24           H        MET  24  20.836   9.131 -14.053
  179    HA   MET  24           HA       MET  24  19.355  11.609 -14.174
  180   1HB   MET  24          HB2       MET  24  18.294   8.744 -13.871
  181   2HB   MET  24          HB3       MET  24  17.339  10.181 -14.238
  182   1HG   MET  24          HG2       MET  24  18.726  10.507 -16.294
  183   2HG   MET  24          HG3       MET  24  19.518   8.960 -15.938
  184   1HE   MET  24          HE1       MET  24  18.219   9.534 -18.733
  185   2HE   MET  24          HE2       MET  24  18.934   7.962 -18.301
  186   3HE   MET  24          HE3       MET  24  17.315   8.032 -19.026
  187    H    LEU  25           H        LEU  25  19.457   8.938 -11.805
  188    HA   LEU  25           HA       LEU  25  17.705  10.370  -9.997
  189   1HB   LEU  25          HB2       LEU  25  19.559   8.054  -9.368
  190   2HB   LEU  25          HB3       LEU  25  18.239   8.640  -8.362
  191    HG   LEU  25           HG       LEU  25  18.066   7.204 -11.040
  192   1HD1  LEU  25          HD11      LEU  25  16.993   6.616  -8.255
  193   2HD1  LEU  25          HD12      LEU  25  16.743   5.604  -9.697
  194   3HD1  LEU  25          HD13      LEU  25  18.370   5.822  -9.042
  195   1HD2  LEU  25          HD21      LEU  25  15.882   8.721  -9.564
  196   2HD2  LEU  25          HD22      LEU  25  16.405   8.913 -11.257
  197   3HD2  LEU  25          HD23      LEU  25  15.552   7.447 -10.773
  198    H    SER  26           H        SER  26  21.265  10.130 -10.374
  199    HA   SER  26           HA       SER  26  21.911  11.452  -7.949
  200   1HB   SER  26          HB2       SER  26  23.379  11.558 -10.616
  201   2HB   SER  26          HB3       SER  26  24.033  12.035  -9.037
  202    HG   SER  26           HG       SER  26  23.232   9.465  -9.929
  203    H    MET  27           H        MET  27  21.281  12.862 -11.255
  204    HA   MET  27           HA       MET  27  21.586  15.515 -10.241
  205   1HB   MET  27          HB2       MET  27  20.756  16.346 -12.294
  206   2HB   MET  27          HB3       MET  27  21.821  14.983 -12.626
  207   1HG   MET  27          HG2       MET  27  19.887  13.556 -13.079
  208   2HG   MET  27          HG3       MET  27  18.778  14.846 -12.611
  209   1HE   MET  27          HE1       MET  27  22.029  14.702 -14.962
  210   2HE   MET  27          HE2       MET  27  21.022  13.282 -15.335
  211   3HE   MET  27          HE3       MET  27  21.213  14.580 -16.534
  212    H    LEU  28           H        LEU  28  18.728  13.360 -10.314
  213    HA   LEU  28           HA       LEU  28  16.898  15.466  -9.563
  214   1HB   LEU  28          HB2       LEU  28  16.745  12.442  -9.295
  215   2HB   LEU  28          HB3       LEU  28  15.444  13.521  -8.800
  216    HG   LEU  28           HG       LEU  28  16.533  13.346 -11.639
  217   1HD1  LEU  28          HD11      LEU  28  13.939  12.265 -10.462
  218   2HD1  LEU  28          HD12      LEU  28  14.451  12.167 -12.161
  219   3HD1  LEU  28          HD13      LEU  28  15.351  11.285 -10.922
  220   1HD2  LEU  28          HD21      LEU  28  14.483  14.618 -12.239
  221   2HD2  LEU  28          HD22      LEU  28  14.141  14.852 -10.509
  222   3HD2  LEU  28          HD23      LEU  28  15.592  15.559 -11.256
  223    H    PHE  29           H        PHE  29  18.411  12.881  -7.556
  224    HA   PHE  29           HA       PHE  29  17.260  14.088  -5.180
  225   1HB   PHE  29          HB2       PHE  29  19.204  11.792  -5.626
  226   2HB   PHE  29          HB3       PHE  29  18.760  12.378  -4.027
  227    HD1  PHE  29           HD1      PHE  29  16.820  11.767  -2.918
  228    HD2  PHE  29           HD2      PHE  29  17.255  10.834  -7.099
  229    HE1  PHE  29           HE1      PHE  29  14.794  10.346  -2.804
  230    HE2  PHE  29           HE2      PHE  29  15.250   9.395  -6.979
  231    HZ   PHE  29           HZ       PHE  29  14.003   9.172  -4.843
  232    H    ASN  30           H        ASN  30  20.477  14.452  -6.746
  233    HA   ASN  30           HA       ASN  30  21.812  15.379  -4.440
  234   1HB   ASN  30          HB2       ASN  30  22.985  14.651  -6.422
  235   2HB   ASN  30          HB3       ASN  30  22.384  16.056  -7.325
  236   1HD2  ASN  30          HD22      ASN  30  24.014  17.588  -7.540
  237   2HD2  ASN  30          HD21      ASN  30  25.203  17.948  -6.318
  238    H    GLN  31           H        GLN  31  19.266  16.929  -6.131
  239    HA   GLN  31           HA       GLN  31  19.836  19.670  -5.724
  240   1HB   GLN  31          HB2       GLN  31  17.207  18.130  -5.602
  241   2HB   GLN  31          HB3       GLN  31  17.333  19.892  -5.609
  242   1HG   GLN  31          HG2       GLN  31  18.434  19.841  -7.820
  243   2HG   GLN  31          HG3       GLN  31  18.322  18.079  -7.847
  244   1HE2  GLN  31          HE22      GLN  31  16.064  17.137  -7.620
  245   2HE2  GLN  31          HE21      GLN  31  14.732  18.007  -8.376
  246    H    PHE  32           H        PHE  32  18.904  17.084  -3.436
  247    HA   PHE  32           HA       PHE  32  18.223  19.007  -1.335
  248   1HB   PHE  32          HB2       PHE  32  18.536  15.997  -1.152
  249   2HB   PHE  32          HB3       PHE  32  17.722  17.047   0.002
  250    HD1  PHE  32           HD1      PHE  32  17.185  14.786  -2.616
  251    HD2  PHE  32           HD2      PHE  32  15.760  18.595  -1.190
  252    HE1  PHE  32           HE1      PHE  32  15.146  14.522  -3.976
  253    HE2  PHE  32           HE2      PHE  32  13.712  18.330  -2.569
  254    HZ   PHE  32           HZ       PHE  32  13.429  16.305  -4.001
  255    HA   PRO  33           HA       PRO  33  22.472  19.253  -0.095
  256   1HB   PRO  33          HB2       PRO  33  22.299  20.611   2.267
  257   2HB   PRO  33          HB3       PRO  33  21.771  21.309   0.715
  258   1HG   PRO  33          HG2       PRO  33  20.039  19.914   2.784
  259   2HG   PRO  33          HG3       PRO  33  19.789  21.529   2.046
  260   1HD   PRO  33          HD2       PRO  33  18.565  19.295   1.070
  261   2HD   PRO  33          HD3       PRO  33  19.143  20.599  -0.014
  262    H    GLY  34           H        GLY  34  21.376  16.635   0.358
  263   1HA   GLY  34          HA2       GLY  34  23.063  15.710   2.604
  264   2HA   GLY  34          HA3       GLY  34  21.330  15.333   2.658
  265    H    PHE  35           H        PHE  35  21.978  15.257  -0.629
  266    HA   PHE  35           HA       PHE  35  21.794  12.484  -0.916
  267   1HB   PHE  35          HB2       PHE  35  21.249  14.094  -2.637
  268   2HB   PHE  35          HB3       PHE  35  22.881  14.759  -2.612
  269    HD1  PHE  35           HD1      PHE  35  20.793  11.948  -3.746
  270    HD2  PHE  35           HD2      PHE  35  24.758  13.627  -3.741
  271    HE1  PHE  35           HE1      PHE  35  21.396  10.527  -5.681
  272    HE2  PHE  35           HE2      PHE  35  25.395  12.089  -5.602
  273    HZ   PHE  35           HZ       PHE  35  23.692  10.609  -6.605
  274    H    LYS  36           H        LYS  36  23.325  10.951  -1.450
  275    HA   LYS  36           HA       LYS  36  26.184  11.690  -1.183
  276   1HB   LYS  36          HB2       LYS  36  24.922  10.712   0.983
  277   2HB   LYS  36          HB3       LYS  36  25.325   9.175   0.206
  278   1HG   LYS  36          HG2       LYS  36  27.728   9.882   0.161
  279   2HG   LYS  36          HG3       LYS  36  27.269  11.467   0.797
  280   1HD   LYS  36          HD2       LYS  36  28.209  10.145   2.598
  281   2HD   LYS  36          HD3       LYS  36  26.509  10.482   2.896
  282   1HE   LYS  36          HE2       LYS  36  26.930   8.187   3.516
  283   2HE   LYS  36          HE3       LYS  36  25.915   8.203   2.077
  284   1HZ   LYS  36          HZ1       LYS  36  28.116   7.912   0.826
  285   2HZ   LYS  36          HZ2       LYS  36  28.770   7.493   2.272
  286   3HZ   LYS  36          HZ3       LYS  36  27.516   6.632   1.625
  287    H    GLU  37           H        GLU  37  23.894   9.002  -2.195
  288    HA   GLU  37           HA       GLU  37  25.602   8.620  -4.523
  289   1HB   GLU  37          HB2       GLU  37  26.590   7.342  -2.366
  290   2HB   GLU  37          HB3       GLU  37  25.347   6.162  -2.762
  291   1HG   GLU  37          HG2       GLU  37  26.329   5.898  -5.027
  292   2HG   GLU  37          HG3       GLU  37  27.486   7.181  -4.686
  293    H    VAL  38           H        VAL  38  24.809   6.817  -5.920
  294    HA   VAL  38           HA       VAL  38  22.033   5.858  -5.496
  295    HB   VAL  38           HB       VAL  38  23.234   7.103  -8.011
  296   1HG1  VAL  38          HG11      VAL  38  20.495   5.786  -7.746
  297   2HG1  VAL  38          HG12      VAL  38  21.133   6.659  -9.166
  298   3HG1  VAL  38          HG13      VAL  38  21.863   5.156  -8.696
  299   1HG2  VAL  38          HG21      VAL  38  21.378   8.692  -7.886
  300   2HG2  VAL  38          HG22      VAL  38  20.811   7.936  -6.378
  301   3HG2  VAL  38          HG23      VAL  38  22.386   8.745  -6.447
  302    H    ARG  39           H        ARG  39  21.696   3.775  -6.430
  303    HA   ARG  39           HA       ARG  39  23.848   2.540  -8.026
  304   1HB   ARG  39          HB2       ARG  39  24.351   1.839  -5.730
  305   2HB   ARG  39          HB3       ARG  39  22.687   1.335  -5.472
  306   1HG   ARG  39          HG2       ARG  39  24.209  -0.549  -5.809
  307   2HG   ARG  39          HG3       ARG  39  22.937  -0.524  -7.027
  308   1HD   ARG  39          HD2       ARG  39  24.444   0.140  -8.758
  309   2HD   ARG  39          HD3       ARG  39  25.632   0.741  -7.595
  310    HE   ARG  39           HE       ARG  39  26.557  -1.296  -7.401
  311   1HH1  ARG  39          HH21      ARG  39  23.408  -1.808  -9.006
  312   2HH1  ARG  39          HH22      ARG  39  23.638  -3.522  -9.139
  313   1HH2  ARG  39          HH11      ARG  39  26.869  -3.530  -7.698
  314   2HH2  ARG  39          HH12      ARG  39  25.670  -4.498  -8.464
  315    H    LEU  40           H        LEU  40  22.703   2.178  -9.890
  316    HA   LEU  40           HA       LEU  40  19.850   1.439  -9.887
  317   1HB   LEU  40          HB2       LEU  40  21.998   1.929 -11.983
  318   2HB   LEU  40          HB3       LEU  40  20.650   0.908 -12.424
  319    HG   LEU  40           HG       LEU  40  20.429   3.288 -13.102
  320   1HD1  LEU  40          HD11      LEU  40  18.009   3.451 -12.335
  321   2HD1  LEU  40          HD12      LEU  40  18.481   1.957 -13.153
  322   3HD1  LEU  40          HD13      LEU  40  18.285   1.985 -11.395
  323   1HD2  LEU  40          HD21      LEU  40  19.812   5.006 -11.552
  324   2HD2  LEU  40          HD22      LEU  40  19.786   3.870 -10.187
  325   3HD2  LEU  40          HD23      LEU  40  21.323   4.275 -10.975
  326    H    VAL  41           H        VAL  41  19.324  -0.605 -11.103
  327    HA   VAL  41           HA       VAL  41  21.243  -2.812 -10.506
  328    HB   VAL  41           HB       VAL  41  18.225  -2.911 -10.756
  329   1HG1  VAL  41          HG11      VAL  41  18.492  -5.283 -10.067
  330   2HG1  VAL  41          HG12      VAL  41  19.244  -4.975 -11.629
  331   3HG1  VAL  41          HG13      VAL  41  20.256  -5.116 -10.172
  332   1HG2  VAL  41          HG21      VAL  41  20.101  -3.213  -8.365
  333   2HG2  VAL  41          HG22      VAL  41  18.879  -1.948  -8.609
  334   3HG2  VAL  41          HG23      VAL  41  18.376  -3.619  -8.343
  335    HA   PRO  42           HA       PRO  42  21.368  -1.843 -14.913
  336   1HB   PRO  42          HB2       PRO  42  23.856  -2.888 -15.574
  337   2HB   PRO  42          HB3       PRO  42  23.599  -1.366 -14.680
  338   1HG   PRO  42          HG2       PRO  42  24.100  -4.129 -13.528
  339   2HG   PRO  42          HG3       PRO  42  24.959  -2.599 -13.146
  340   1HD   PRO  42          HD2       PRO  42  22.945  -3.479 -11.581
  341   2HD   PRO  42          HD3       PRO  42  23.065  -1.732 -11.980
  342    H    ASN  43           H        ASN  43  20.067  -4.211 -13.948
  343    HA   ASN  43           HA       ASN  43  19.717  -5.508 -16.507
  344   1HB   ASN  43          HB2       ASN  43  19.560  -7.759 -15.678
  345   2HB   ASN  43          HB3       ASN  43  21.125  -7.116 -15.209
  346   1HD2  ASN  43          HD22      ASN  43  21.603  -6.937 -12.953
  347   2HD2  ASN  43          HD21      ASN  43  20.495  -7.462 -11.714
  348    H    ARG  44           H        ARG  44  18.360  -3.955 -13.781
  349    HA   ARG  44           HA       ARG  44  15.694  -4.192 -14.874
  350   1HB   ARG  44          HB2       ARG  44  16.496  -5.148 -12.092
  351   2HB   ARG  44          HB3       ARG  44  14.996  -4.271 -12.321
  352   1HG   ARG  44          HG2       ARG  44  14.394  -5.978 -14.153
  353   2HG   ARG  44          HG3       ARG  44  15.743  -6.942 -13.522
  354   1HD   ARG  44          HD2       ARG  44  13.693  -7.663 -12.445
  355   2HD   ARG  44          HD3       ARG  44  14.692  -6.813 -11.243
  356    HE   ARG  44           HE       ARG  44  13.036  -4.861 -12.367
  357   1HH1  ARG  44          HH21      ARG  44  12.589  -7.834 -10.452
  358   2HH1  ARG  44          HH22      ARG  44  11.143  -7.292  -9.686
  359   1HH2  ARG  44          HH11      ARG  44  11.102  -4.154 -11.394
  360   2HH2  ARG  44          HH12      ARG  44  10.273  -5.151 -10.235
  361    H    HIS  45           H        HIS  45  16.857  -2.080 -15.552
  362    HA   HIS  45           HA       HIS  45  17.597  -0.133 -13.709
  363   1HB   HIS  45          HB2       HIS  45  16.069   0.401 -16.296
  364   2HB   HIS  45          HB3       HIS  45  17.171   1.498 -15.477
  365    HD1  HIS  45           HD1      HIS  45  17.308  -0.026 -18.530
  366    HD2  HIS  45           HD2      HIS  45  19.721  -0.365 -15.093
  367    HE1  HIS  45           HE1      HIS  45  19.571  -0.922 -19.320
  368    H    ASP  46           H        ASP  46  14.458  -1.503 -13.953
  369    HA   ASP  46           HA       ASP  46  12.870   0.870 -13.477
  370   1HB   ASP  46          HB2       ASP  46  11.010  -0.498 -13.495
  371   2HB   ASP  46          HB3       ASP  46  12.064  -1.212 -14.710
  372    H    ILE  47           H        ILE  47  14.985  -0.975 -11.538
  373    HA   ILE  47           HA       ILE  47  13.772   0.265  -9.156
  374    HB   ILE  47           HB       ILE  47  14.256  -1.610  -7.796
  375   1HG1  ILE  47          HG12      ILE  47  16.012  -2.448 -10.043
  376   2HG1  ILE  47          HG13      ILE  47  16.271  -2.484  -8.308
  377   1HG2  ILE  47          HG21      ILE  47  12.172  -1.717  -9.207
  378   2HG2  ILE  47          HG22      ILE  47  13.025  -2.821 -10.293
  379   3HG2  ILE  47          HG23      ILE  47  12.735  -3.277  -8.599
  380   1HD1  ILE  47          HD11      ILE  47  16.251  -4.711  -9.229
  381   2HD1  ILE  47          HD12      ILE  47  14.800  -4.506  -8.213
  382   3HD1  ILE  47          HD13      ILE  47  14.689  -4.422 -10.008
  383    H    ALA  48           H        ALA  48  15.399   0.610  -7.420
  384    HA   ALA  48           HA       ALA  48  18.224   0.655  -8.059
  385   1HB   ALA  48          HB1       ALA  48  17.396   2.645  -9.422
  386   2HB   ALA  48          HB2       ALA  48  16.808   3.366  -7.913
  387   3HB   ALA  48          HB3       ALA  48  18.538   3.083  -8.150
  388    H    PHE  49           H        PHE  49  19.371   2.089  -6.363
  389    HA   PHE  49           HA       PHE  49  17.867   2.349  -3.844
  390   1HB   PHE  49          HB2       PHE  49  20.668   1.192  -4.172
  391   2HB   PHE  49          HB3       PHE  49  19.991   1.716  -2.641
  392    HD1  PHE  49           HD1      PHE  49  19.684  -0.825  -5.356
  393    HD2  PHE  49           HD2      PHE  49  18.453   0.350  -1.390
  394    HE1  PHE  49           HE1      PHE  49  18.724  -3.086  -4.983
  395    HE2  PHE  49           HE2      PHE  49  17.534  -1.925  -1.006
  396    HZ   PHE  49           HZ       PHE  49  17.669  -3.645  -2.799
  397    H    VAL  50           H        VAL  50  18.586   4.159  -2.608
  398    HA   VAL  50           HA       VAL  50  20.614   5.966  -3.819
  399    HB   VAL  50           HB       VAL  50  17.809   6.801  -2.954
  400   1HG1  VAL  50          HG11      VAL  50  18.419   9.017  -3.875
  401   2HG1  VAL  50          HG12      VAL  50  19.454   8.571  -2.515
  402   3HG1  VAL  50          HG13      VAL  50  20.074   8.440  -4.171
  403   1HG2  VAL  50          HG21      VAL  50  17.693   5.661  -5.121
  404   2HG2  VAL  50          HG22      VAL  50  17.423   7.393  -5.322
  405   3HG2  VAL  50          HG23      VAL  50  18.993   6.674  -5.756
  406    H    GLU  51           H        GLU  51  21.667   7.282  -2.193
  407    HA   GLU  51           HA       GLU  51  21.211   6.432   0.626
  408   1HB   GLU  51          HB2       GLU  51  22.820   4.921  -0.341
  409   2HB   GLU  51          HB3       GLU  51  23.717   6.244  -1.095
  410   1HG   GLU  51          HG2       GLU  51  24.454   7.087   1.033
  411   2HG   GLU  51          HG3       GLU  51  23.442   5.947   1.920
  412    H    PHE  52           H        PHE  52  21.722   7.959   2.128
  413    HA   PHE  52           HA       PHE  52  22.514  10.674   1.167
  414   1HB   PHE  52          HB2       PHE  52  20.180   9.662   2.777
  415   2HB   PHE  52          HB3       PHE  52  20.850  11.203   3.212
  416    HD1  PHE  52           HD1      PHE  52  19.994  13.109   2.277
  417    HD2  PHE  52           HD2      PHE  52  19.743   9.439   0.036
  418    HE1  PHE  52           HE1      PHE  52  18.843  14.309   0.447
  419    HE2  PHE  52           HE2      PHE  52  18.637  10.653  -1.814
  420    HZ   PHE  52           HZ       PHE  52  18.226  13.097  -1.631
  421    H    THR  53           H        THR  53  23.121  12.092   2.962
  422    HA   THR  53           HA       THR  53  25.158  11.093   4.723
  423    HB   THR  53           HB       THR  53  23.559  13.693   4.592
  424    HG1  THR  53           HG1      THR  53  24.804  13.360   2.784
  425   1HG2  THR  53          HG21      THR  53  26.061  13.050   6.199
  426   2HG2  THR  53          HG22      THR  53  25.434  14.692   5.898
  427   3HG2  THR  53          HG23      THR  53  24.466  13.533   6.820
  428    H    THR  54           H        THR  54  21.735  12.163   5.245
  429    HA   THR  54           HA       THR  54  21.751  10.776   7.858
  430    HB   THR  54           HB       THR  54  20.255  13.014   8.327
  431    HG1  THR  54           HG1      THR  54  21.507  14.771   7.607
  432   1HG2  THR  54          HG21      THR  54  23.262  12.747   8.682
  433   2HG2  THR  54          HG22      THR  54  22.201  13.880   9.558
  434   3HG2  THR  54          HG23      THR  54  22.003  12.135   9.778
  435    H    GLU  55           H        GLU  55  19.935  10.034   8.549
  436    HA   GLU  55           HA       GLU  55  18.197   8.789   6.726
  437   1HB   GLU  55          HB2       GLU  55  17.561   9.321   9.664
  438   2HB   GLU  55          HB3       GLU  55  16.959   8.026   8.642
  439   1HG   GLU  55          HG2       GLU  55  18.532   6.832   9.714
  440   2HG   GLU  55          HG3       GLU  55  19.577   7.461   8.437
  441    H    LEU  56           H        LEU  56  17.824  11.745   8.577
  442    HA   LEU  56           HA       LEU  56  15.017  12.119   8.031
  443   1HB   LEU  56          HB2       LEU  56  17.168  14.076   8.910
  444   2HB   LEU  56          HB3       LEU  56  15.416  14.355   8.968
  445    HG   LEU  56           HG       LEU  56  17.108  12.456  10.634
  446   1HD1  LEU  56          HD11      LEU  56  16.158  13.685  12.519
  447   2HD1  LEU  56          HD12      LEU  56  16.920  14.799  11.374
  448   3HD1  LEU  56          HD13      LEU  56  15.149  14.649  11.416
  449   1HD2  LEU  56          HD21      LEU  56  15.019  11.669  11.749
  450   2HD2  LEU  56          HD22      LEU  56  14.070  12.429  10.451
  451   3HD2  LEU  56          HD23      LEU  56  15.193  11.086  10.100
  452    H    GLN  57           H        GLN  57  18.021  12.958   6.318
  453    HA   GLN  57           HA       GLN  57  16.613  14.838   4.556
  454   1HB   GLN  57          HB2       GLN  57  19.463  13.768   4.456
  455   2HB   GLN  57          HB3       GLN  57  18.754  14.978   3.369
  456   1HG   GLN  57          HG2       GLN  57  18.157  16.293   5.538
  457   2HG   GLN  57          HG3       GLN  57  19.308  15.224   6.342
  458   1HE2  GLN  57          HE22      GLN  57  21.605  15.323   5.615
  459   2HE2  GLN  57          HE21      GLN  57  22.179  16.755   4.760
  460    H    SER  58           H        SER  58  17.834  11.375   4.365
  461    HA   SER  58           HA       SER  58  16.883  11.001   1.699
  462   1HB   SER  58          HB2       SER  58  16.567   8.552   2.698
  463   2HB   SER  58          HB3       SER  58  18.145   9.216   2.306
  464    HG   SER  58           HG       SER  58  17.339   8.291   4.605
  465    H    ASN  59           H        ASN  59  15.243  10.718   4.910
  466    HA   ASN  59           HA       ASN  59  12.689  10.003   3.967
  467   1HB   ASN  59          HB2       ASN  59  12.934  10.001   6.293
  468   2HB   ASN  59          HB3       ASN  59  13.637  11.601   6.339
  469   1HD2  ASN  59          HD22      ASN  59  12.295  13.383   6.695
  470   2HD2  ASN  59          HD21      ASN  59  10.554  13.269   6.756
  471    H    ALA  60           H        ALA  60  13.899  13.369   4.437
  472    HA   ALA  60           HA       ALA  60  11.535  14.521   3.390
  473   1HB   ALA  60          HB1       ALA  60  12.834  16.579   3.153
  474   2HB   ALA  60          HB2       ALA  60  13.170  15.781   4.701
  475   3HB   ALA  60          HB3       ALA  60  14.351  15.671   3.366
  476    H    ALA  61           H        ALA  61  14.515  13.566   1.677
  477    HA   ALA  61           HA       ALA  61  13.750  14.528  -0.895
  478   1HB   ALA  61          HB1       ALA  61  15.521  12.150  -0.167
  479   2HB   ALA  61          HB2       ALA  61  15.442  12.990  -1.728
  480   3HB   ALA  61          HB3       ALA  61  16.052  13.845  -0.295
  481    H    LYS  62           H        LYS  62  13.192  11.362   0.722
  482    HA   LYS  62           HA       LYS  62  11.880  10.075  -1.446
  483   1HB   LYS  62          HB2       LYS  62  12.618   8.727   0.343
  484   2HB   LYS  62          HB3       LYS  62  11.872   9.737   1.570
  485   1HG   LYS  62          HG2       LYS  62   9.664   8.997   1.013
  486   2HG   LYS  62          HG3       LYS  62  10.240   8.112  -0.401
  487   1HD   LYS  62          HD2       LYS  62  11.429   6.526   0.953
  488   2HD   LYS  62          HD3       LYS  62  11.227   7.488   2.418
  489   1HE   LYS  62          HE2       LYS  62   8.879   6.315   0.856
  490   2HE   LYS  62          HE3       LYS  62   9.716   5.442   2.145
  491   1HZ   LYS  62          HZ1       LYS  62   8.258   8.006   2.524
  492   2HZ   LYS  62          HZ2       LYS  62   7.858   6.456   3.038
  493   3HZ   LYS  62          HZ3       LYS  62   9.153   7.228   3.655
  494    H    GLU  63           H        GLU  63  10.471  11.948   1.337
  495    HA   GLU  63           HA       GLU  63   7.826  11.700   0.343
  496   1HB   GLU  63          HB2       GLU  63   9.004  13.897   2.092
  497   2HB   GLU  63          HB3       GLU  63   7.285  13.586   1.861
  498   1HG   GLU  63          HG2       GLU  63   9.300  11.766   3.231
  499   2HG   GLU  63          HG3       GLU  63   8.018  12.673   3.984
  500    H    ALA  64           H        ALA  64  10.372  14.023  -0.471
  501    HA   ALA  64           HA       ALA  64   8.718  15.833  -1.948
  502   1HB   ALA  64          HB1       ALA  64  10.853  16.680  -2.824
  503   2HB   ALA  64          HB2       ALA  64  10.952  16.420  -1.069
  504   3HB   ALA  64          HB3       ALA  64  11.702  15.259  -2.190
  505    H    LEU  65           H        LEU  65  10.648  12.944  -2.988
  506    HA   LEU  65           HA       LEU  65   9.750  13.450  -5.782
  507   1HB   LEU  65          HB2       LEU  65  12.059  11.814  -4.687
  508   2HB   LEU  65          HB3       LEU  65  11.609  11.899  -6.385
  509    HG   LEU  65           HG       LEU  65  12.606  14.215  -4.699
  510   1HD1  LEU  65          HD11      LEU  65  13.820  12.702  -7.056
  511   2HD1  LEU  65          HD12      LEU  65  14.538  14.122  -6.264
  512   3HD1  LEU  65          HD13      LEU  65  14.340  12.609  -5.364
  513   1HD2  LEU  65          HD21      LEU  65  12.656  15.494  -6.851
  514   2HD2  LEU  65          HD22      LEU  65  11.754  14.177  -7.631
  515   3HD2  LEU  65          HD23      LEU  65  11.018  15.132  -6.323
  516    H    GLN  66           H        GLN  66   8.727  11.392  -3.283
  517    HA   GLN  66           HA       GLN  66   8.044   9.107  -4.838
  518   1HB   GLN  66          HB2       GLN  66   6.755  10.499  -2.474
  519   2HB   GLN  66          HB3       GLN  66   5.846   9.265  -3.353
  520   1HG   GLN  66          HG2       GLN  66   7.704   7.647  -3.034
  521   2HG   GLN  66          HG3       GLN  66   8.541   8.815  -2.020
  522   1HE2  GLN  66          HE22      GLN  66   7.310   6.068  -1.401
  523   2HE2  GLN  66          HE21      GLN  66   6.186   6.378  -0.102
  524    H    GLY  67           H        GLY  67   6.758   8.832  -6.504
  525   1HA   GLY  67          HA2       GLY  67   5.018   9.086  -7.976
  526   2HA   GLY  67          HA3       GLY  67   4.465  10.527  -7.121
  527    H    PHE  68           H        PHE  68   7.789  10.987  -7.820
  528    HA   PHE  68           HA       PHE  68   7.185  13.079  -9.690
  529   1HB   PHE  68          HB2       PHE  68   9.031  13.163  -8.052
  530   2HB   PHE  68          HB3       PHE  68   9.810  11.788  -8.827
  531    HD1  PHE  68           HD1      PHE  68   9.027  15.396  -9.109
  532    HD2  PHE  68           HD2      PHE  68  11.031  12.034 -10.933
  533    HE1  PHE  68           HE1      PHE  68  10.278  16.942 -10.594
  534    HE2  PHE  68           HE2      PHE  68  12.259  13.585 -12.428
  535    HZ   PHE  68           HZ       PHE  68  11.893  16.040 -12.259
  536    H    LYS  69           H        LYS  69   6.916  12.863 -11.872
  537    HA   LYS  69           HA       LYS  69   7.431  10.384 -13.309
  538   1HB   LYS  69          HB2       LYS  69   6.475  13.126 -14.060
  539   2HB   LYS  69          HB3       LYS  69   7.425  12.283 -15.282
  540   1HG   LYS  69          HG2       LYS  69   5.192  11.748 -15.740
  541   2HG   LYS  69          HG3       LYS  69   5.974  10.307 -15.112
  542   1HD   LYS  69          HD2       LYS  69   4.980  10.834 -12.832
  543   2HD   LYS  69          HD3       LYS  69   4.024  12.101 -13.604
  544   1HE   LYS  69          HE2       LYS  69   4.048   9.158 -14.434
  545   2HE   LYS  69          HE3       LYS  69   2.880   9.851 -13.295
  546   1HZ   LYS  69          HZ1       LYS  69   2.199  11.377 -15.133
  547   2HZ   LYS  69          HZ2       LYS  69   3.124  10.489 -16.173
  548   3HZ   LYS  69          HZ3       LYS  69   1.863   9.809 -15.406
  549    H    ILE  70           H        ILE  70   9.415   9.612 -13.468
  550    HA   ILE  70           HA       ILE  70  11.785  11.352 -13.771
  551    HB   ILE  70           HB       ILE  70  11.438   8.364 -14.144
  552   1HG1  ILE  70          HG12      ILE  70  12.717   9.825 -11.795
  553   2HG1  ILE  70          HG13      ILE  70  11.038   9.294 -11.783
  554   1HG2  ILE  70          HG21      ILE  70  13.939   8.345 -14.028
  555   2HG2  ILE  70          HG22      ILE  70  13.375   9.331 -15.381
  556   3HG2  ILE  70          HG23      ILE  70  13.934  10.116 -13.891
  557   1HD1  ILE  70          HD11      ILE  70  13.420   7.430 -12.085
  558   2HD1  ILE  70          HD12      ILE  70  12.415   7.665 -10.653
  559   3HD1  ILE  70          HD13      ILE  70  11.698   6.963 -12.104
  560    H    THR  71           H        THR  71   9.642   9.203 -15.754
  561    HA   THR  71           HA       THR  71   9.989  11.029 -18.022
  562    HB   THR  71           HB       THR  71   9.850   9.052 -19.561
  563    HG1  THR  71           HG1      THR  71  10.205   7.030 -18.796
  564   1HG2  THR  71          HG21      THR  71  12.314   8.931 -17.768
  565   2HG2  THR  71          HG22      THR  71  12.185   8.342 -19.437
  566   3HG2  THR  71          HG23      THR  71  12.070  10.078 -19.102
  567    HA   PRO  72           HA       PRO  72   5.821  11.582 -17.991
  568   1HB   PRO  72          HB2       PRO  72   5.444  10.156 -20.635
  569   2HB   PRO  72          HB3       PRO  72   4.724  11.706 -20.082
  570   1HG   PRO  72          HG2       PRO  72   6.916  11.749 -21.654
  571   2HG   PRO  72          HG3       PRO  72   6.845  12.818 -20.214
  572   1HD   PRO  72          HD2       PRO  72   8.281  10.188 -20.542
  573   2HD   PRO  72          HD3       PRO  72   8.829  11.686 -19.730
  574    H    THR  73           H        THR  73   6.531   8.151 -18.432
  575    HA   THR  73           HA       THR  73   3.874   7.439 -17.325
  576    HB   THR  73           HB       THR  73   4.298   5.287 -18.687
  577    HG1  THR  73           HG1      THR  73   5.810   5.429 -20.304
  578   1HG2  THR  73          HG21      THR  73   3.486   6.249 -20.780
  579   2HG2  THR  73          HG22      THR  73   2.699   7.055 -19.415
  580   3HG2  THR  73          HG23      THR  73   4.011   7.874 -20.289
  581    H    HIS  74           H        HIS  74   6.799   7.902 -16.149
  582    HA   HIS  74           HA       HIS  74   6.773   5.430 -14.485
  583   1HB   HIS  74          HB2       HIS  74   9.145   6.692 -15.874
  584   2HB   HIS  74          HB3       HIS  74   9.265   5.617 -14.479
  585    HD1  HIS  74           HD1      HIS  74   8.667   3.067 -14.794
  586    HD2  HIS  74           HD2      HIS  74   8.401   5.476 -18.237
  587    HE1  HIS  74           HE1      HIS  74   8.477   1.464 -16.782
  588    H    ALA  75           H        ALA  75   5.487   6.754 -13.168
  589    HA   ALA  75           HA       ALA  75   6.618   8.987 -11.687
  590   1HB   ALA  75          HB1       ALA  75   4.174   8.625 -11.783
  591   2HB   ALA  75          HB2       ALA  75   4.362   7.031 -11.019
  592   3HB   ALA  75          HB3       ALA  75   4.757   8.505 -10.119
  593    H    MET  76           H        MET  76   8.431   8.671 -10.542
  594    HA   MET  76           HA       MET  76   9.690   6.380  -9.678
  595   1HB   MET  76          HB2       MET  76  10.517   8.755  -9.696
  596   2HB   MET  76          HB3       MET  76   9.526   9.096  -8.284
  597   1HG   MET  76          HG2       MET  76  10.782   7.350  -7.027
  598   2HG   MET  76          HG3       MET  76  11.820   7.107  -8.432
  599   1HE   MET  76          HE1       MET  76  12.151  10.294  -9.418
  600   2HE   MET  76          HE2       MET  76  13.654  10.692  -8.564
  601   3HE   MET  76          HE3       MET  76  13.501   9.129  -9.388
  602    H    LYS  77           H        LYS  77   9.232   4.820  -8.137
  603    HA   LYS  77           HA       LYS  77   7.397   5.551  -5.901
  604   1HB   LYS  77          HB2       LYS  77   6.591   3.724  -7.370
  605   2HB   LYS  77          HB3       LYS  77   8.103   2.834  -7.077
  606   1HG   LYS  77          HG2       LYS  77   7.590   2.516  -4.774
  607   2HG   LYS  77          HG3       LYS  77   6.291   3.712  -4.805
  608   1HD   LYS  77          HD2       LYS  77   5.511   1.341  -4.705
  609   2HD   LYS  77          HD3       LYS  77   4.835   2.280  -6.043
  610   1HE   LYS  77          HE2       LYS  77   6.249   1.214  -7.660
  611   2HE   LYS  77          HE3       LYS  77   7.274   0.510  -6.394
  612   1HZ   LYS  77          HZ1       LYS  77   5.689  -1.080  -7.396
  613   2HZ   LYS  77          HZ2       LYS  77   5.598  -0.952  -5.773
  614   3HZ   LYS  77          HZ3       LYS  77   4.441  -0.257  -6.731
  615    H    ILE  78           H        ILE  78   8.230   5.147  -3.816
  616    HA   ILE  78           HA       ILE  78  11.092   4.444  -3.573
  617    HB   ILE  78           HB       ILE  78   9.923   6.911  -2.262
  618   1HG1  ILE  78          HG12      ILE  78  11.469   6.948  -4.878
  619   2HG1  ILE  78          HG13      ILE  78   9.786   7.419  -4.649
  620   1HG2  ILE  78          HG21      ILE  78  12.824   6.205  -2.805
  621   2HG2  ILE  78          HG22      ILE  78  12.221   7.499  -1.767
  622   3HG2  ILE  78          HG23      ILE  78  11.999   5.828  -1.289
  623   1HD1  ILE  78          HD11      ILE  78  10.533   9.234  -3.114
  624   2HD1  ILE  78          HD12      ILE  78  12.214   8.864  -3.547
  625   3HD1  ILE  78          HD13      ILE  78  11.077   9.410  -4.783
  626    H    THR  79           H        THR  79  11.488   3.457  -1.619
  627    HA   THR  79           HA       THR  79   9.611   3.669   0.635
  628    HB   THR  79           HB       THR  79  10.207   1.078   0.908
  629    HG1  THR  79           HG1      THR  79  11.290   1.156  -1.262
  630   1HG2  THR  79          HG21      THR  79   7.911   2.128   0.709
  631   2HG2  THR  79          HG22      THR  79   8.013   1.874  -1.043
  632   3HG2  THR  79          HG23      THR  79   8.067   0.485   0.081
  633    H    PHE  80           H        PHE  80  10.828   3.142   2.709
  634    HA   PHE  80           HA       PHE  80  13.646   3.910   2.525
  635   1HB   PHE  80          HB2       PHE  80  12.006   2.726   4.794
  636   2HB   PHE  80          HB3       PHE  80  13.690   3.206   4.939
  637    HD1  PHE  80           HD1      PHE  80  14.319   5.687   4.361
  638    HD2  PHE  80           HD2      PHE  80  10.305   4.344   5.200
  639    HE1  PHE  80           HE1      PHE  80  13.626   8.015   4.755
  640    HE2  PHE  80           HE2      PHE  80   9.643   6.668   5.723
  641    HZ   PHE  80           HZ       PHE  80  11.271   8.520   5.439
  642    H    ALA  81           H        ALA  81  15.472   2.536   2.668
  643    HA   ALA  81           HA       ALA  81  15.040  -0.320   1.978
  644   1HB   ALA  81          HB1       ALA  81  17.615   1.261   2.428
  645   2HB   ALA  81          HB2       ALA  81  17.492  -0.392   1.799
  646   3HB   ALA  81          HB3       ALA  81  16.862   0.957   0.842
  647    H    LYS  82           H        LYS  82  16.175  -1.954   3.442
  648    HA   LYS  82           HA       LYS  82  16.041  -1.096   6.300
  649   1HB   LYS  82          HB2       LYS  82  14.971  -3.710   5.147
  650   2HB   LYS  82          HB3       LYS  82  14.970  -3.220   6.840
  651   1HG   LYS  82          HG2       LYS  82  12.879  -2.516   6.423
  652   2HG   LYS  82          HG3       LYS  82  13.707  -1.065   5.828
  653   1HD   LYS  82          HD2       LYS  82  13.625  -2.088   3.506
  654   2HD   LYS  82          HD3       LYS  82  12.660  -3.414   4.183
  655   1HE   LYS  82          HE2       LYS  82  10.875  -1.909   4.798
  656   2HE   LYS  82          HE3       LYS  82  11.871  -0.481   4.432
  657   1HZ   LYS  82          HZ1       LYS  82  11.847  -1.061   2.137
  658   2HZ   LYS  82          HZ2       LYS  82  10.991  -2.470   2.437
  659   3HZ   LYS  82          HZ3       LYS  82  10.296  -1.010   2.654
  660    H    LYS  83           H        LYS  83  18.281  -1.301   4.583
  661    HA   LYS  83           HA       LYS  83  20.422  -2.152   4.409
  662   1HB   LYS  83          HB2       LYS  83  20.029  -1.804   7.399
  663   2HB   LYS  83          HB3       LYS  83  21.605  -1.963   6.611
  664   1HG   LYS  83          HG2       LYS  83  21.292   0.045   5.323
  665   2HG   LYS  83          HG3       LYS  83  19.620   0.220   5.852
  666   1HD   LYS  83          HD2       LYS  83  22.060   0.484   7.652
  667   2HD   LYS  83          HD3       LYS  83  21.100   1.803   6.964
  668   1HE   LYS  83          HE2       LYS  83  19.065   0.579   8.127
  669   2HE   LYS  83          HE3       LYS  83  20.318  -0.204   9.100
  670   1HZ   LYS  83          HZ1       LYS  83  19.548   1.772  10.191
  671   2HZ   LYS  83          HZ2       LYS  83  21.071   2.086   9.690
  672   3HZ   LYS  83          HZ3       LYS  83  19.775   2.694   8.862
  Start of MODEL   18
    1   1H    ALA   1          H1        ALA   1  10.109  -7.777  -2.141
    2   2H    ALA   1          H2        ALA   1   8.810  -8.779  -2.386
    3   3H    ALA   1          H3        ALA   1   9.097  -7.509  -3.391
    4    HA   ALA   1           HA       ALA   1   7.395  -6.754  -2.030
    5   1HB   ALA   1          HB1       ALA   1   9.071  -7.751   0.329
    6   2HB   ALA   1          HB2       ALA   1   7.515  -6.904   0.437
    7   3HB   ALA   1          HB3       ALA   1   7.587  -8.515  -0.288
    8    H    GLN   2           H        GLN   2   7.472  -4.687  -0.627
    9    HA   GLN   2           HA       GLN   2  10.131  -3.486  -0.448
   10   1HB   GLN   2          HB2       GLN   2   9.475  -1.391  -1.490
   11   2HB   GLN   2          HB3       GLN   2   9.512  -2.740  -2.614
   12   1HG   GLN   2          HG2       GLN   2   7.014  -2.874  -2.523
   13   2HG   GLN   2          HG3       GLN   2   6.995  -1.432  -1.501
   14   1HE2  GLN   2          HE22      GLN   2   8.845   0.311  -2.653
   15   2HE2  GLN   2          HE21      GLN   2   8.445   0.567  -4.341
   16    H    THR   3           H        THR   3   9.174  -4.472   1.660
   17    HA   THR   3           HA       THR   3   7.227  -3.376   3.226
   18    HB   THR   3           HB       THR   3   9.992  -4.088   4.285
   19    HG1  THR   3           HG1      THR   3   9.521  -6.232   3.958
   20   1HG2  THR   3          HG21      THR   3   8.234  -3.524   5.942
   21   2HG2  THR   3          HG22      THR   3   7.164  -4.760   5.245
   22   3HG2  THR   3          HG23      THR   3   8.681  -5.232   6.048
   23    H    GLU   4           H        GLU   4   6.937  -1.470   4.362
   24    HA   GLU   4           HA       GLU   4   8.936   0.689   4.055
   25   1HB   GLU   4          HB2       GLU   4   6.031   0.510   4.911
   26   2HB   GLU   4          HB3       GLU   4   6.981   1.938   5.313
   27   1HG   GLU   4          HG2       GLU   4   6.916   0.940   2.449
   28   2HG   GLU   4          HG3       GLU   4   5.582   1.880   3.107
   29    H    GLN   5           H        GLN   5   9.536   1.940   5.917
   30    HA   GLN   5           HA       GLN   5   9.681   0.543   8.533
   31   1HB   GLN   5          HB2       GLN   5  11.958   1.437   6.696
   32   2HB   GLN   5          HB3       GLN   5  12.167   1.458   8.427
   33   1HG   GLN   5          HG2       GLN   5  13.130  -0.531   7.673
   34   2HG   GLN   5          HG3       GLN   5  11.683  -0.951   8.586
   35   1HE2  GLN   5          HE22      GLN   5  12.285  -0.029   5.067
   36   2HE2  GLN   5          HE21      GLN   5  11.331  -1.336   4.455
   37    HA   PRO   6           HA       PRO   6   9.661   4.987   9.837
   38   1HB   PRO   6          HB2       PRO   6  11.628   5.023  11.777
   39   2HB   PRO   6          HB3       PRO   6   9.957   4.450  12.062
   40   1HG   PRO   6          HG2       PRO   6  12.417   2.796  11.416
   41   2HG   PRO   6          HG3       PRO   6  11.204   2.519  12.708
   42   1HD   PRO   6          HD2       PRO   6  11.082   1.188  10.354
   43   2HD   PRO   6          HD3       PRO   6   9.592   1.753  11.153
   44    HA   PRO   7           HA       PRO   7  12.650   6.787   7.254
   45   1HB   PRO   7          HB2       PRO   7  13.696   8.427   9.575
   46   2HB   PRO   7          HB3       PRO   7  13.357   8.954   7.896
   47   1HG   PRO   7          HG2       PRO   7  11.532   9.411   9.839
   48   2HG   PRO   7          HG3       PRO   7  10.995   8.794   8.243
   49   1HD   PRO   7          HD2       PRO   7  11.377   7.265  10.820
   50   2HD   PRO   7          HD3       PRO   7  10.083   7.118   9.591
   51    H    ASN   8           H        ASN   8  14.590   6.302   6.390
   52    HA   ASN   8           HA       ASN   8  16.863   5.437   8.056
   53   1HB   ASN   8          HB2       ASN   8  15.734   3.291   7.591
   54   2HB   ASN   8          HB3       ASN   8  15.558   3.721   5.892
   55   1HD2  ASN   8          HD21      ASN   8  16.869   2.279   4.862
   56   2HD2  ASN   8          HD22      ASN   8  18.591   2.091   5.180
   57    H    GLN   9           H        GLN   9  18.831   5.718   6.913
   58    HA   GLN   9           HA       GLN   9  18.802   7.910   5.044
   59   1HB   GLN   9          HB2       GLN   9  21.134   7.986   5.378
   60   2HB   GLN   9          HB3       GLN   9  20.406   7.625   6.932
   61   1HG   GLN   9          HG2       GLN   9  20.941   5.188   6.581
   62   2HG   GLN   9          HG3       GLN   9  21.774   5.616   5.078
   63   1HE2  GLN   9          HE22      GLN   9  23.450   7.561   5.425
   64   2HE2  GLN   9          HE21      GLN   9  24.494   7.337   6.815
   65    H    ILE  10           H        ILE  10  17.964   4.931   4.156
   66    HA   ILE  10           HA       ILE  10  19.310   5.113   1.552
   67    HB   ILE  10           HB       ILE  10  18.964   2.435   2.952
   68   1HG1  ILE  10          HG12      ILE  10  21.508   4.086   2.703
   69   2HG1  ILE  10          HG13      ILE  10  20.689   3.600   4.192
   70   1HG2  ILE  10          HG21      ILE  10  20.249   1.529   1.086
   71   2HG2  ILE  10          HG22      ILE  10  18.924   2.450   0.418
   72   3HG2  ILE  10          HG23      ILE  10  20.549   3.159   0.446
   73   1HD1  ILE  10          HD11      ILE  10  22.198   1.795   2.283
   74   2HD1  ILE  10          HD12      ILE  10  22.572   2.183   3.967
   75   3HD1  ILE  10          HD13      ILE  10  21.146   1.192   3.586
   76    H    LEU  11           H        LEU  11  17.904   4.581  -0.083
   77    HA   LEU  11           HA       LEU  11  15.042   4.102   0.650
   78   1HB   LEU  11          HB2       LEU  11  16.208   5.953  -1.479
   79   2HB   LEU  11          HB3       LEU  11  14.498   5.657  -1.194
   80    HG   LEU  11           HG       LEU  11  16.400   7.017   0.767
   81   1HD1  LEU  11          HD11      LEU  11  14.229   8.190  -1.012
   82   2HD1  LEU  11          HD12      LEU  11  15.172   9.072   0.203
   83   3HD1  LEU  11          HD13      LEU  11  15.981   8.388  -1.214
   84   1HD2  LEU  11          HD21      LEU  11  14.667   5.901   2.005
   85   2HD2  LEU  11          HD22      LEU  11  14.262   7.619   1.964
   86   3HD2  LEU  11          HD23      LEU  11  13.399   6.487   0.901
   87    H    PHE  12           H        PHE  12  13.950   2.786  -0.750
   88    HA   PHE  12           HA       PHE  12  15.468   1.504  -2.975
   89   1HB   PHE  12          HB2       PHE  12  14.797  -0.141  -1.261
   90   2HB   PHE  12          HB3       PHE  12  13.145   0.461  -1.296
   91    HD1  PHE  12           HD1      PHE  12  11.608  -0.840  -2.548
   92    HD2  PHE  12           HD2      PHE  12  15.715  -0.674  -3.833
   93    HE1  PHE  12           HE1      PHE  12  11.155  -2.584  -4.254
   94    HE2  PHE  12           HE2      PHE  12  15.244  -2.361  -5.575
   95    HZ   PHE  12           HZ       PHE  12  12.964  -3.344  -5.776
   96    H    LEU  13           H        LEU  13  14.530   1.759  -4.956
   97    HA   LEU  13           HA       LEU  13  12.168   3.574  -5.123
   98   1HB   LEU  13          HB2       LEU  13  14.966   3.777  -6.217
   99   2HB   LEU  13          HB3       LEU  13  13.661   4.140  -7.317
  100    HG   LEU  13           HG       LEU  13  12.722   5.797  -5.672
  101   1HD1  LEU  13          HD11      LEU  13  14.351   6.681  -3.972
  102   2HD1  LEU  13          HD12      LEU  13  13.782   5.048  -3.601
  103   3HD1  LEU  13          HD13      LEU  13  15.398   5.278  -4.279
  104   1HD2  LEU  13          HD21      LEU  13  14.113   6.398  -7.653
  105   2HD2  LEU  13          HD22      LEU  13  14.374   7.487  -6.295
  106   3HD2  LEU  13          HD23      LEU  13  15.577   6.240  -6.656
  107    H    THR  14           H        THR  14  10.809   3.183  -6.819
  108    HA   THR  14           HA       THR  14  11.201   0.783  -8.517
  109    HB   THR  14           HB       THR  14   8.815   0.116  -7.658
  110    HG1  THR  14           HG1      THR  14   9.807   1.750  -5.556
  111   1HG2  THR  14          HG21      THR  14  10.798  -1.276  -7.227
  112   2HG2  THR  14          HG22      THR  14  11.199  -0.279  -5.818
  113   3HG2  THR  14          HG23      THR  14   9.706  -1.243  -5.842
  114    H    ASN  15           H        ASN  15   9.224   0.502  -9.971
  115    HA   ASN  15           HA       ASN  15   8.063   1.220 -11.721
  116   1HB   ASN  15          HB2       ASN  15   6.468   1.871  -9.884
  117   2HB   ASN  15          HB3       ASN  15   7.120   3.510  -9.973
  118   1HD2  ASN  15          HD22      ASN  15   5.702   4.812 -11.082
  119   2HD2  ASN  15          HD21      ASN  15   4.709   4.294 -12.444
  120    H    LEU  16           H        LEU  16  10.792   2.067 -11.524
  121    HA   LEU  16           HA       LEU  16  11.005   4.828 -12.482
  122   1HB   LEU  16          HB2       LEU  16  13.140   2.682 -12.500
  123   2HB   LEU  16          HB3       LEU  16  13.372   4.416 -12.462
  124    HG   LEU  16           HG       LEU  16  12.312   2.728 -10.167
  125   1HD1  LEU  16          HD11      LEU  16  14.971   4.147 -10.505
  126   2HD1  LEU  16          HD12      LEU  16  14.451   3.126  -9.140
  127   3HD1  LEU  16          HD13      LEU  16  14.708   2.416 -10.739
  128   1HD2  LEU  16          HD21      LEU  16  13.133   5.640 -10.023
  129   2HD2  LEU  16          HD22      LEU  16  11.442   5.151 -10.292
  130   3HD2  LEU  16          HD23      LEU  16  12.250   4.669  -8.824
  131    HA   PRO  17           HA       PRO  17  10.995   4.017 -16.934
  132   1HB   PRO  17          HB2       PRO  17  13.821   4.951 -17.074
  133   2HB   PRO  17          HB3       PRO  17  12.404   5.460 -18.029
  134   1HG   PRO  17          HG2       PRO  17  13.515   6.893 -15.931
  135   2HG   PRO  17          HG3       PRO  17  11.798   7.033 -16.417
  136   1HD   PRO  17          HD2       PRO  17  12.934   5.788 -14.021
  137   2HD   PRO  17          HD3       PRO  17  11.257   6.259 -14.354
  138    H    GLU  18           H        GLU  18  11.667   2.314 -18.314
  139    HA   GLU  18           HA       GLU  18  13.360   0.217 -17.244
  140   1HB   GLU  18          HB2       GLU  18  12.888  -0.918 -19.340
  141   2HB   GLU  18          HB3       GLU  18  11.415  -0.266 -18.621
  142   1HG   GLU  18          HG2       GLU  18  11.517   1.669 -20.209
  143   2HG   GLU  18          HG3       GLU  18  12.948   0.951 -20.955
  144    H    GLU  19           H        GLU  19  14.279   3.128 -18.191
  145    HA   GLU  19           HA       GLU  19  16.820   2.278 -19.334
  146   1HB   GLU  19          HB2       GLU  19  15.312   4.802 -20.132
  147   2HB   GLU  19          HB3       GLU  19  16.815   4.194 -20.834
  148   1HG   GLU  19          HG2       GLU  19  15.510   2.155 -21.618
  149   2HG   GLU  19          HG3       GLU  19  14.039   2.990 -21.089
  150    H    THR  20           H        THR  20  15.693   3.244 -16.522
  151    HA   THR  20           HA       THR  20  16.882   5.767 -15.940
  152    HB   THR  20           HB       THR  20  16.574   3.503 -13.929
  153    HG1  THR  20           HG1      THR  20  14.599   3.485 -14.819
  154   1HG2  THR  20          HG21      THR  20  16.064   6.518 -13.774
  155   2HG2  THR  20          HG22      THR  20  15.895   5.356 -12.443
  156   3HG2  THR  20          HG23      THR  20  17.498   5.694 -13.111
  157    H    ASN  21           H        ASN  21  18.900   6.265 -14.991
  158    HA   ASN  21           HA       ASN  21  20.915   4.148 -14.841
  159   1HB   ASN  21          HB2       ASN  21  22.557   5.375 -16.136
  160   2HB   ASN  21          HB3       ASN  21  21.154   5.022 -17.124
  161   1HD2  ASN  21          HD22      ASN  21  20.607   6.752 -18.444
  162   2HD2  ASN  21          HD21      ASN  21  20.875   8.428 -18.038
  163    H    GLU  22           H        GLU  22  22.914   5.087 -13.770
  164    HA   GLU  22           HA       GLU  22  22.212   5.968 -11.218
  165   1HB   GLU  22          HB2       GLU  22  24.268   4.715 -12.003
  166   2HB   GLU  22          HB3       GLU  22  24.910   6.245 -12.610
  167   1HG   GLU  22          HG2       GLU  22  24.756   7.154 -10.257
  168   2HG   GLU  22          HG3       GLU  22  24.244   5.545  -9.725
  169    H    MET  23           H        MET  23  23.222   7.862 -14.032
  170    HA   MET  23           HA       MET  23  23.783  10.248 -12.514
  171   1HB   MET  23          HB2       MET  23  24.875   9.726 -14.697
  172   2HB   MET  23          HB3       MET  23  23.322   9.965 -15.511
  173   1HG   MET  23          HG2       MET  23  24.716  11.951 -15.708
  174   2HG   MET  23          HG3       MET  23  23.262  12.303 -14.785
  175   1HE   MET  23          HE1       MET  23  24.093  14.546 -13.795
  176   2HE   MET  23          HE2       MET  23  25.725  14.796 -13.139
  177   3HE   MET  23          HE3       MET  23  25.514  14.378 -14.854
  178    H    MET  24           H        MET  24  20.922   9.031 -14.254
  179    HA   MET  24           HA       MET  24  19.385  11.421 -14.234
  180   1HB   MET  24          HB2       MET  24  18.493   8.507 -13.987
  181   2HB   MET  24          HB3       MET  24  17.367   9.856 -14.084
  182   1HG   MET  24          HG2       MET  24  19.474   9.252 -16.165
  183   2HG   MET  24          HG3       MET  24  17.790   8.706 -16.230
  184   1HE   MET  24          HE1       MET  24  17.913  11.385 -19.083
  185   2HE   MET  24          HE2       MET  24  19.220  10.276 -18.616
  186   3HE   MET  24          HE3       MET  24  17.536   9.702 -18.651
  187    H    LEU  25           H        LEU  25  19.460   8.781 -11.833
  188    HA   LEU  25           HA       LEU  25  17.723  10.233 -10.035
  189   1HB   LEU  25          HB2       LEU  25  19.552   7.865  -9.510
  190   2HB   LEU  25          HB3       LEU  25  18.341   8.475  -8.383
  191    HG   LEU  25           HG       LEU  25  17.864   7.168 -11.092
  192   1HD1  LEU  25          HD11      LEU  25  18.399   5.625  -9.293
  193   2HD1  LEU  25          HD12      LEU  25  17.190   6.372  -8.232
  194   3HD1  LEU  25          HD13      LEU  25  16.682   5.487  -9.693
  195   1HD2  LEU  25          HD21      LEU  25  15.906   8.574  -9.233
  196   2HD2  LEU  25          HD22      LEU  25  16.193   8.874 -10.967
  197   3HD2  LEU  25          HD23      LEU  25  15.403   7.381 -10.462
  198    H    SER  26           H        SER  26  21.297  10.000 -10.385
  199    HA   SER  26           HA       SER  26  21.880  11.217  -7.858
  200   1HB   SER  26          HB2       SER  26  23.471  11.312 -10.459
  201   2HB   SER  26          HB3       SER  26  24.071  11.745  -8.848
  202    HG   SER  26           HG       SER  26  23.227   9.210  -9.806
  203    H    MET  27           H        MET  27  21.321  12.553 -11.138
  204    HA   MET  27           HA       MET  27  21.677  15.279 -10.481
  205   1HB   MET  27          HB2       MET  27  21.579  14.294 -12.768
  206   2HB   MET  27          HB3       MET  27  19.838  14.032 -12.575
  207   1HG   MET  27          HG2       MET  27  19.553  16.482 -12.225
  208   2HG   MET  27          HG3       MET  27  21.279  16.702 -12.521
  209   1HE   MET  27          HE1       MET  27  22.454  16.274 -14.861
  210   2HE   MET  27          HE2       MET  27  21.787  14.631 -15.031
  211   3HE   MET  27          HE3       MET  27  21.598  15.807 -16.346
  212    H    LEU  28           H        LEU  28  18.735  13.168 -10.313
  213    HA   LEU  28           HA       LEU  28  17.031  15.332  -9.502
  214   1HB   LEU  28          HB2       LEU  28  16.741  12.324  -9.186
  215   2HB   LEU  28          HB3       LEU  28  15.491  13.477  -8.724
  216    HG   LEU  28           HG       LEU  28  16.589  13.180 -11.547
  217   1HD1  LEU  28          HD11      LEU  28  14.474  12.086 -12.073
  218   2HD1  LEU  28          HD12      LEU  28  15.293  11.202 -10.779
  219   3HD1  LEU  28          HD13      LEU  28  13.925  12.272 -10.392
  220   1HD2  LEU  28          HD21      LEU  28  14.612  14.539 -12.201
  221   2HD2  LEU  28          HD22      LEU  28  14.257  14.824 -10.481
  222   3HD2  LEU  28          HD23      LEU  28  15.751  15.449 -11.221
  223    H    PHE  29           H        PHE  29  18.572  12.760  -7.505
  224    HA   PHE  29           HA       PHE  29  17.406  13.977  -5.132
  225   1HB   PHE  29          HB2       PHE  29  19.262  11.617  -5.584
  226   2HB   PHE  29          HB3       PHE  29  18.838  12.211  -3.981
  227    HD1  PHE  29           HD1      PHE  29  17.225  10.866  -7.099
  228    HD2  PHE  29           HD2      PHE  29  16.915  11.573  -2.861
  229    HE1  PHE  29           HE1      PHE  29  15.166   9.518  -7.018
  230    HE2  PHE  29           HE2      PHE  29  14.842  10.222  -2.784
  231    HZ   PHE  29           HZ       PHE  29  13.968   9.185  -4.862
  232    H    ASN  30           H        ASN  30  20.658  14.257  -6.641
  233    HA   ASN  30           HA       ASN  30  21.977  15.084  -4.280
  234   1HB   ASN  30          HB2       ASN  30  23.165  14.349  -6.258
  235   2HB   ASN  30          HB3       ASN  30  22.625  15.786  -7.148
  236   1HD2  ASN  30          HD22      ASN  30  24.324  17.240  -7.337
  237   2HD2  ASN  30          HD21      ASN  30  25.497  17.561  -6.089
  238    H    GLN  31           H        GLN  31  19.534  16.745  -6.004
  239    HA   GLN  31           HA       GLN  31  20.182  19.460  -5.562
  240   1HB   GLN  31          HB2       GLN  31  17.497  18.014  -5.515
  241   2HB   GLN  31          HB3       GLN  31  17.694  19.770  -5.529
  242   1HG   GLN  31          HG2       GLN  31  18.884  19.638  -7.703
  243   2HG   GLN  31          HG3       GLN  31  18.659  17.887  -7.721
  244   1HE2  GLN  31          HE22      GLN  31  16.354  17.081  -7.623
  245   2HE2  GLN  31          HE21      GLN  31  15.112  18.036  -8.426
  246    H    PHE  32           H        PHE  32  19.174  16.893  -3.297
  247    HA   PHE  32           HA       PHE  32  18.585  18.845  -1.178
  248   1HB   PHE  32          HB2       PHE  32  18.681  15.824  -0.993
  249   2HB   PHE  32          HB3       PHE  32  17.916  16.934   0.134
  250    HD1  PHE  32           HD1      PHE  32  16.076  18.594  -1.118
  251    HD2  PHE  32           HD2      PHE  32  17.305  14.706  -2.514
  252    HE1  PHE  32           HE1      PHE  32  14.087  18.480  -2.599
  253    HE2  PHE  32           HE2      PHE  32  15.329  14.595  -3.976
  254    HZ   PHE  32           HZ       PHE  32  13.744  16.493  -4.074
  255    HA   PRO  33           HA       PRO  33  22.875  18.756  -0.063
  256   1HB   PRO  33          HB2       PRO  33  22.881  20.165   2.281
  257   2HB   PRO  33          HB3       PRO  33  22.394  20.878   0.722
  258   1HG   PRO  33          HG2       PRO  33  20.578  19.704   2.853
  259   2HG   PRO  33          HG3       PRO  33  20.467  21.316   2.074
  260   1HD   PRO  33          HD2       PRO  33  19.018  19.182   1.183
  261   2HD   PRO  33          HD3       PRO  33  19.695  20.395   0.053
  262    H    GLY  34           H        GLY  34  21.480  16.268   0.550
  263   1HA   GLY  34          HA2       GLY  34  23.156  15.265   2.795
  264   2HA   GLY  34          HA3       GLY  34  21.412  14.943   2.774
  265    H    PHE  35           H        PHE  35  22.023  14.856  -0.464
  266    HA   PHE  35           HA       PHE  35  21.885  12.080  -0.759
  267   1HB   PHE  35          HB2       PHE  35  21.239  13.685  -2.453
  268   2HB   PHE  35          HB3       PHE  35  22.852  14.398  -2.460
  269    HD1  PHE  35           HD1      PHE  35  24.729  13.347  -3.636
  270    HD2  PHE  35           HD2      PHE  35  20.808  11.561  -3.634
  271    HE1  PHE  35           HE1      PHE  35  25.379  11.897  -5.549
  272    HE2  PHE  35           HE2      PHE  35  21.431  10.182  -5.579
  273    HZ   PHE  35           HZ       PHE  35  23.724  10.338  -6.531
  274    H    LYS  36           H        LYS  36  23.406  10.582  -1.324
  275    HA   LYS  36           HA       LYS  36  26.289  11.327  -1.236
  276   1HB   LYS  36          HB2       LYS  36  25.036   8.931   0.167
  277   2HB   LYS  36          HB3       LYS  36  26.761   9.179  -0.112
  278   1HG   LYS  36          HG2       LYS  36  26.653  11.314   1.195
  279   2HG   LYS  36          HG3       LYS  36  24.941  11.023   1.507
  280   1HD   LYS  36          HD2       LYS  36  26.293  10.388   3.433
  281   2HD   LYS  36          HD3       LYS  36  25.496   8.951   2.744
  282   1HE   LYS  36          HE2       LYS  36  27.547   8.352   1.571
  283   2HE   LYS  36          HE3       LYS  36  28.339   9.827   2.151
  284   1HZ   LYS  36          HZ1       LYS  36  28.159   8.951   4.414
  285   2HZ   LYS  36          HZ2       LYS  36  27.421   7.589   3.877
  286   3HZ   LYS  36          HZ3       LYS  36  28.968   7.897   3.476
  287    H    GLU  37           H        GLU  37  23.935   8.662  -2.213
  288    HA   GLU  37           HA       GLU  37  25.536   8.357  -4.669
  289   1HB   GLU  37          HB2       GLU  37  26.800   7.188  -2.806
  290   2HB   GLU  37          HB3       GLU  37  25.438   6.092  -2.611
  291   1HG   GLU  37          HG2       GLU  37  25.816   5.085  -4.727
  292   2HG   GLU  37          HG3       GLU  37  26.809   6.431  -5.300
  293    H    VAL  38           H        VAL  38  24.713   6.598  -6.074
  294    HA   VAL  38           HA       VAL  38  21.929   5.703  -5.595
  295    HB   VAL  38           HB       VAL  38  23.125   6.800  -8.178
  296   1HG1  VAL  38          HG11      VAL  38  21.734   4.820  -8.718
  297   2HG1  VAL  38          HG12      VAL  38  20.388   5.509  -7.778
  298   3HG1  VAL  38          HG13      VAL  38  20.982   6.296  -9.262
  299   1HG2  VAL  38          HG21      VAL  38  21.282   8.407  -8.099
  300   2HG2  VAL  38          HG22      VAL  38  20.754   7.751  -6.533
  301   3HG2  VAL  38          HG23      VAL  38  22.336   8.543  -6.706
  302    H    ARG  39           H        ARG  39  21.610   3.580  -6.271
  303    HA   ARG  39           HA       ARG  39  23.866   2.088  -7.507
  304   1HB   ARG  39          HB2       ARG  39  22.376   1.223  -4.992
  305   2HB   ARG  39          HB3       ARG  39  23.538   0.244  -5.899
  306   1HG   ARG  39          HG2       ARG  39  25.311   1.932  -5.439
  307   2HG   ARG  39          HG3       ARG  39  24.141   2.914  -4.544
  308   1HD   ARG  39          HD2       ARG  39  23.827   1.026  -2.943
  309   2HD   ARG  39          HD3       ARG  39  25.172   0.185  -3.741
  310    HE   ARG  39           HE       ARG  39  26.487   2.358  -3.287
  311   1HH1  ARG  39          HH21      ARG  39  23.975   1.286  -0.962
  312   2HH1  ARG  39          HH22      ARG  39  24.557   2.382   0.271
  313   1HH2  ARG  39          HH11      ARG  39  27.178   3.630  -1.747
  314   2HH2  ARG  39          HH12      ARG  39  26.426   3.750  -0.158
  315    H    LEU  40           H        LEU  40  22.799   2.050  -9.426
  316    HA   LEU  40           HA       LEU  40  19.989   1.466  -9.793
  317   1HB   LEU  40          HB2       LEU  40  22.220   2.419 -11.360
  318   2HB   LEU  40          HB3       LEU  40  21.728   0.921 -12.093
  319    HG   LEU  40           HG       LEU  40  20.672   2.768 -13.171
  320   1HD1  LEU  40          HD11      LEU  40  19.340   0.709 -13.027
  321   2HD1  LEU  40          HD12      LEU  40  18.514   1.339 -11.566
  322   3HD1  LEU  40          HD13      LEU  40  18.339   2.159 -13.121
  323   1HD2  LEU  40          HD21      LEU  40  19.391   3.544 -10.521
  324   2HD2  LEU  40          HD22      LEU  40  20.720   4.394 -11.327
  325   3HD2  LEU  40          HD23      LEU  40  19.137   4.320 -12.095
  326    H    VAL  41           H        VAL  41  19.431  -0.401 -11.271
  327    HA   VAL  41           HA       VAL  41  21.007  -2.873 -10.734
  328    HB   VAL  41           HB       VAL  41  17.984  -2.690 -10.921
  329   1HG1  VAL  41          HG11      VAL  41  18.916  -4.821 -11.756
  330   2HG1  VAL  41          HG12      VAL  41  19.872  -5.004 -10.268
  331   3HG1  VAL  41          HG13      VAL  41  18.102  -5.077 -10.213
  332   1HG2  VAL  41          HG21      VAL  41  19.780  -3.087  -8.485
  333   2HG2  VAL  41          HG22      VAL  41  18.638  -1.754  -8.766
  334   3HG2  VAL  41          HG23      VAL  41  18.031  -3.387  -8.503
  335    HA   PRO  42           HA       PRO  42  20.823  -1.461 -15.064
  336   1HB   PRO  42          HB2       PRO  42  23.410  -1.943 -15.870
  337   2HB   PRO  42          HB3       PRO  42  22.963  -0.592 -14.792
  338   1HG   PRO  42          HG2       PRO  42  23.951  -3.349 -13.977
  339   2HG   PRO  42          HG3       PRO  42  24.610  -1.752 -13.482
  340   1HD   PRO  42          HD2       PRO  42  22.831  -3.081 -11.927
  341   2HD   PRO  42          HD3       PRO  42  22.738  -1.302 -12.112
  342    H    ASN  43           H        ASN  43  19.958  -4.008 -14.118
  343    HA   ASN  43           HA       ASN  43  19.907  -5.402 -16.652
  344   1HB   ASN  43          HB2       ASN  43  19.962  -7.609 -15.680
  345   2HB   ASN  43          HB3       ASN  43  21.413  -6.751 -15.196
  346   1HD2  ASN  43          HD22      ASN  43  21.785  -6.430 -12.948
  347   2HD2  ASN  43          HD21      ASN  43  20.682  -6.988 -11.718
  348    H    ARG  44           H        ARG  44  18.213  -3.760 -14.223
  349    HA   ARG  44           HA       ARG  44  15.690  -4.792 -15.392
  350   1HB   ARG  44          HB2       ARG  44  16.432  -4.642 -12.483
  351   2HB   ARG  44          HB3       ARG  44  14.854  -4.026 -12.935
  352   1HG   ARG  44          HG2       ARG  44  14.423  -6.222 -14.167
  353   2HG   ARG  44          HG3       ARG  44  15.921  -6.827 -13.445
  354   1HD   ARG  44          HD2       ARG  44  14.027  -7.564 -12.133
  355   2HD   ARG  44          HD3       ARG  44  14.961  -6.401 -11.176
  356    HE   ARG  44           HE       ARG  44  13.078  -4.807 -12.396
  357   1HH1  ARG  44          HH21      ARG  44  12.819  -7.712 -10.353
  358   2HH1  ARG  44          HH22      ARG  44  11.283  -7.275  -9.703
  359   1HH2  ARG  44          HH11      ARG  44  11.071  -4.234 -11.576
  360   2HH2  ARG  44          HH12      ARG  44  10.254  -5.248 -10.424
  361    H    HIS  45           H        HIS  45  17.381  -2.122 -13.774
  362    HA   HIS  45           HA       HIS  45  17.267   0.049 -13.840
  363   1HB   HIS  45          HB2       HIS  45  15.759  -0.235 -16.451
  364   2HB   HIS  45          HB3       HIS  45  16.516   1.225 -15.843
  365    HD1  HIS  45           HD1      HIS  45  19.110   1.491 -16.255
  366    HD2  HIS  45           HD2      HIS  45  17.460  -2.234 -17.323
  367    HE1  HIS  45           HE1      HIS  45  20.918   0.245 -17.563
  368    H    ASP  46           H        ASP  46  14.113  -1.530 -14.050
  369    HA   ASP  46           HA       ASP  46  12.571   0.840 -13.562
  370   1HB   ASP  46          HB2       ASP  46  10.701  -0.532 -13.602
  371   2HB   ASP  46          HB3       ASP  46  11.802  -1.285 -14.752
  372    H    ILE  47           H        ILE  47  14.581  -0.937 -11.513
  373    HA   ILE  47           HA       ILE  47  13.418   0.438  -9.232
  374    HB   ILE  47           HB       ILE  47  13.501  -1.303  -7.737
  375   1HG1  ILE  47          HG12      ILE  47  15.703  -2.226  -8.204
  376   2HG1  ILE  47          HG13      ILE  47  14.488  -3.456  -7.917
  377   1HG2  ILE  47          HG21      ILE  47  11.598  -1.569  -9.300
  378   2HG2  ILE  47          HG22      ILE  47  12.539  -2.721 -10.241
  379   3HG2  ILE  47          HG23      ILE  47  12.103  -3.104  -8.564
  380   1HD1  ILE  47          HD11      ILE  47  15.582  -2.703 -10.649
  381   2HD1  ILE  47          HD12      ILE  47  16.036  -4.109  -9.661
  382   3HD1  ILE  47          HD13      ILE  47  14.394  -3.981 -10.299
  383    H    ALA  48           H        ALA  48  15.066   0.842  -7.543
  384    HA   ALA  48           HA       ALA  48  17.894   0.537  -8.165
  385   1HB   ALA  48          HB1       ALA  48  18.350   2.959  -8.346
  386   2HB   ALA  48          HB2       ALA  48  17.238   2.483  -9.642
  387   3HB   ALA  48          HB3       ALA  48  16.621   3.321  -8.199
  388    H    PHE  49           H        PHE  49  19.155   1.926  -6.466
  389    HA   PHE  49           HA       PHE  49  17.580   2.373  -4.004
  390   1HB   PHE  49          HB2       PHE  49  20.329   1.087  -4.200
  391   2HB   PHE  49          HB3       PHE  49  19.586   1.625  -2.708
  392    HD1  PHE  49           HD1      PHE  49  19.162  -0.792  -5.555
  393    HD2  PHE  49           HD2      PHE  49  18.185   0.178  -1.461
  394    HE1  PHE  49           HE1      PHE  49  18.089  -3.013  -5.295
  395    HE2  PHE  49           HE2      PHE  49  17.177  -2.079  -1.181
  396    HZ   PHE  49           HZ       PHE  49  17.127  -3.674  -3.089
  397    H    VAL  50           H        VAL  50  18.445   4.104  -2.706
  398    HA   VAL  50           HA       VAL  50  20.562   5.808  -3.895
  399    HB   VAL  50           HB       VAL  50  17.838   6.822  -2.961
  400   1HG1  VAL  50          HG11      VAL  50  19.646   8.459  -2.613
  401   2HG1  VAL  50          HG12      VAL  50  20.156   8.282  -4.300
  402   3HG1  VAL  50          HG13      VAL  50  18.570   8.982  -3.912
  403   1HG2  VAL  50          HG21      VAL  50  17.396   7.451  -5.308
  404   2HG2  VAL  50          HG22      VAL  50  18.871   6.590  -5.814
  405   3HG2  VAL  50          HG23      VAL  50  17.511   5.704  -5.105
  406    H    GLU  51           H        GLU  51  21.711   6.977  -2.241
  407    HA   GLU  51           HA       GLU  51  21.098   6.201   0.569
  408   1HB   GLU  51          HB2       GLU  51  22.729   4.624  -0.264
  409   2HB   GLU  51          HB3       GLU  51  23.735   5.920  -0.926
  410   1HG   GLU  51          HG2       GLU  51  24.277   6.750   1.279
  411   2HG   GLU  51          HG3       GLU  51  23.099   5.676   2.043
  412    H    PHE  52           H        PHE  52  21.668   7.627   2.085
  413    HA   PHE  52           HA       PHE  52  22.473  10.378   1.314
  414   1HB   PHE  52          HB2       PHE  52  19.959   9.271   2.552
  415   2HB   PHE  52          HB3       PHE  52  20.568  10.757   3.221
  416    HD1  PHE  52           HD1      PHE  52  19.853  12.763   2.356
  417    HD2  PHE  52           HD2      PHE  52  19.803   9.281  -0.181
  418    HE1  PHE  52           HE1      PHE  52  18.859  14.109   0.532
  419    HE2  PHE  52           HE2      PHE  52  18.879  10.642  -2.023
  420    HZ   PHE  52           HZ       PHE  52  18.435  13.064  -1.686
  421    H    THR  53           H        THR  53  22.989  11.658   3.139
  422    HA   THR  53           HA       THR  53  24.793  10.590   5.063
  423    HB   THR  53           HB       THR  53  23.317  13.255   4.836
  424    HG1  THR  53           HG1      THR  53  24.585  12.931   3.075
  425   1HG2  THR  53          HG21      THR  53  25.728  12.512   6.533
  426   2HG2  THR  53          HG22      THR  53  25.198  14.182   6.192
  427   3HG2  THR  53          HG23      THR  53  24.139  13.084   7.089
  428    H    THR  54           H        THR  54  21.396  11.832   5.421
  429    HA   THR  54           HA       THR  54  21.248  10.445   8.030
  430    HB   THR  54           HB       THR  54  19.943  12.778   8.524
  431    HG1  THR  54           HG1      THR  54  21.241  14.467   7.787
  432   1HG2  THR  54          HG21      THR  54  22.927  12.306   8.868
  433   2HG2  THR  54          HG22      THR  54  21.956  13.513   9.743
  434   3HG2  THR  54          HG23      THR  54  21.633  11.786   9.966
  435    H    GLU  55           H        GLU  55  19.341   9.902   8.709
  436    HA   GLU  55           HA       GLU  55  17.452   8.945   6.859
  437   1HB   GLU  55          HB2       GLU  55  16.872   9.448   9.807
  438   2HB   GLU  55          HB3       GLU  55  16.155   8.257   8.734
  439   1HG   GLU  55          HG2       GLU  55  17.557   6.883   9.863
  440   2HG   GLU  55          HG3       GLU  55  18.653   7.338   8.571
  441    H    LEU  56           H        LEU  56  17.497  11.963   8.709
  442    HA   LEU  56           HA       LEU  56  14.795  12.782   8.141
  443   1HB   LEU  56          HB2       LEU  56  17.332  14.162   9.064
  444   2HB   LEU  56          HB3       LEU  56  15.968  15.126   8.504
  445    HG   LEU  56           HG       LEU  56  14.475  14.116  10.167
  446   1HD1  LEU  56          HD11      LEU  56  15.484  11.919  10.546
  447   2HD1  LEU  56          HD12      LEU  56  16.962  12.672  11.194
  448   3HD1  LEU  56          HD13      LEU  56  15.421  12.806  12.067
  449   1HD2  LEU  56          HD21      LEU  56  17.040  15.265  11.354
  450   2HD2  LEU  56          HD22      LEU  56  15.694  16.202  10.668
  451   3HD2  LEU  56          HD23      LEU  56  15.440  15.243  12.133
  452    H    GLN  57           H        GLN  57  17.885  13.042   6.345
  453    HA   GLN  57           HA       GLN  57  16.699  14.976   4.481
  454   1HB   GLN  57          HB2       GLN  57  19.440  13.653   4.509
  455   2HB   GLN  57          HB3       GLN  57  18.881  14.886   3.358
  456   1HG   GLN  57          HG2       GLN  57  18.325  16.337   5.432
  457   2HG   GLN  57          HG3       GLN  57  19.291  15.183   6.357
  458   1HE2  GLN  57          HE22      GLN  57  21.616  14.963   5.763
  459   2HE2  GLN  57          HE21      GLN  57  22.416  16.289   4.919
  460    H    SER  58           H        SER  58  17.575  11.431   4.444
  461    HA   SER  58           HA       SER  58  16.655  11.048   1.756
  462   1HB   SER  58          HB2       SER  58  16.196   8.692   2.562
  463   2HB   SER  58          HB3       SER  58  17.854   9.259   2.770
  464    HG   SER  58           HG       SER  58  16.579   8.193   4.613
  465    H    ASN  59           H        ASN  59  14.915  11.055   4.939
  466    HA   ASN  59           HA       ASN  59  12.350  10.525   3.915
  467   1HB   ASN  59          HB2       ASN  59  12.733  10.535   6.301
  468   2HB   ASN  59          HB3       ASN  59  13.203  12.228   6.277
  469   1HD2  ASN  59          HD22      ASN  59  11.612  13.622   6.960
  470   2HD2  ASN  59          HD21      ASN  59   9.900  13.333   6.798
  471    H    ALA  60           H        ALA  60  13.945  13.728   4.266
  472    HA   ALA  60           HA       ALA  60  11.785  15.225   3.183
  473   1HB   ALA  60          HB1       ALA  60  14.770  15.823   3.003
  474   2HB   ALA  60          HB2       ALA  60  13.447  16.980   2.765
  475   3HB   ALA  60          HB3       ALA  60  13.702  16.251   4.362
  476    H    ALA  61           H        ALA  61  14.542  13.666   1.540
  477    HA   ALA  61           HA       ALA  61  13.864  14.538  -1.090
  478   1HB   ALA  61          HB1       ALA  61  16.083  13.611  -0.431
  479   2HB   ALA  61          HB2       ALA  61  15.344  11.999  -0.270
  480   3HB   ALA  61          HB3       ALA  61  15.369  12.813  -1.848
  481    H    LYS  62           H        LYS  62  12.903  11.636   0.782
  482    HA   LYS  62           HA       LYS  62  11.420  10.335  -1.244
  483   1HB   LYS  62          HB2       LYS  62  12.075   9.231   0.825
  484   2HB   LYS  62          HB3       LYS  62  11.108  10.349   1.788
  485   1HG   LYS  62          HG2       LYS  62   9.032   9.487   0.770
  486   2HG   LYS  62          HG3       LYS  62   9.982   8.375  -0.224
  487   1HD   LYS  62          HD2       LYS  62  10.880   7.324   1.877
  488   2HD   LYS  62          HD3       LYS  62   9.852   8.429   2.818
  489   1HE   LYS  62          HE2       LYS  62   7.847   7.505   1.583
  490   2HE   LYS  62          HE3       LYS  62   8.910   6.325   0.809
  491   1HZ   LYS  62          HZ1       LYS  62   8.349   6.553   3.706
  492   2HZ   LYS  62          HZ2       LYS  62   7.877   5.339   2.714
  493   3HZ   LYS  62          HZ3       LYS  62   9.453   5.512   3.072
  494    H    GLU  63           H        GLU  63  10.315  12.670   1.292
  495    HA   GLU  63           HA       GLU  63   7.637  12.823   0.414
  496   1HB   GLU  63          HB2       GLU  63   9.437  14.879   1.766
  497   2HB   GLU  63          HB3       GLU  63   7.712  15.122   1.533
  498   1HG   GLU  63          HG2       GLU  63   8.866  12.760   3.076
  499   2HG   GLU  63          HG3       GLU  63   8.433  14.291   3.815
  500    H    ALA  64           H        ALA  64  10.516  14.577  -0.695
  501    HA   ALA  64           HA       ALA  64   9.133  16.429  -2.366
  502   1HB   ALA  64          HB1       ALA  64  11.388  16.938  -3.198
  503   2HB   ALA  64          HB2       ALA  64  11.401  16.772  -1.427
  504   3HB   ALA  64          HB3       ALA  64  12.011  15.450  -2.453
  505    H    LEU  65           H        LEU  65  10.595  13.209  -3.096
  506    HA   LEU  65           HA       LEU  65   9.869  13.615  -5.966
  507   1HB   LEU  65          HB2       LEU  65  12.092  11.999  -4.684
  508   2HB   LEU  65          HB3       LEU  65  11.697  11.960  -6.397
  509    HG   LEU  65           HG       LEU  65  12.661  14.416  -4.891
  510   1HD1  LEU  65          HD11      LEU  65  14.031  12.597  -6.920
  511   2HD1  LEU  65          HD12      LEU  65  14.715  14.096  -6.248
  512   3HD1  LEU  65          HD13      LEU  65  14.399  12.709  -5.192
  513   1HD2  LEU  65          HD21      LEU  65  11.227  15.124  -6.756
  514   2HD2  LEU  65          HD22      LEU  65  12.914  15.418  -7.165
  515   3HD2  LEU  65          HD23      LEU  65  12.073  14.017  -7.862
  516    H    GLN  66           H        GLN  66   8.687  11.794  -3.359
  517    HA   GLN  66           HA       GLN  66   7.978   9.428  -4.838
  518   1HB   GLN  66          HB2       GLN  66   6.707  10.900  -2.520
  519   2HB   GLN  66          HB3       GLN  66   5.789   9.659  -3.380
  520   1HG   GLN  66          HG2       GLN  66   7.643   8.028  -3.024
  521   2HG   GLN  66          HG3       GLN  66   8.470   9.212  -2.021
  522   1HE2  GLN  66          HE22      GLN  66   7.186   6.465  -1.331
  523   2HE2  GLN  66          HE21      GLN  66   6.018   6.836  -0.093
  524    H    GLY  67           H        GLY  67   6.688   9.117  -6.491
  525   1HA   GLY  67          HA2       GLY  67   4.952   9.355  -7.971
  526   2HA   GLY  67          HA3       GLY  67   4.428  10.839  -7.165
  527    H    PHE  68           H        PHE  68   7.802  11.015  -7.891
  528    HA   PHE  68           HA       PHE  68   7.293  13.179  -9.745
  529   1HB   PHE  68          HB2       PHE  68   9.141  13.218  -8.119
  530   2HB   PHE  68          HB3       PHE  68   9.875  11.808  -8.878
  531    HD1  PHE  68           HD1      PHE  68  11.112  12.000 -10.978
  532    HD2  PHE  68           HD2      PHE  68   9.159  15.432  -9.232
  533    HE1  PHE  68           HE1      PHE  68  12.359  13.499 -12.512
  534    HE2  PHE  68           HE2      PHE  68  10.421  16.924 -10.764
  535    HZ   PHE  68           HZ       PHE  68  12.023  15.959 -12.406
  536    H    LYS  69           H        LYS  69   6.980  12.947 -11.913
  537    HA   LYS  69           HA       LYS  69   7.434  10.449 -13.335
  538   1HB   LYS  69          HB2       LYS  69   6.539  13.219 -14.090
  539   2HB   LYS  69          HB3       LYS  69   7.414  12.316 -15.324
  540   1HG   LYS  69          HG2       LYS  69   5.127  11.892 -15.680
  541   2HG   LYS  69          HG3       LYS  69   5.893  10.419 -15.107
  542   1HD   LYS  69          HD2       LYS  69   5.013  10.959 -12.777
  543   2HD   LYS  69          HD3       LYS  69   4.046  12.241 -13.512
  544   1HE   LYS  69          HE2       LYS  69   4.009   9.296 -14.347
  545   2HE   LYS  69          HE3       LYS  69   2.885  10.003 -13.171
  546   1HZ   LYS  69          HZ1       LYS  69   2.163  11.539 -14.985
  547   2HZ   LYS  69          HZ2       LYS  69   3.047  10.641 -16.053
  548   3HZ   LYS  69          HZ3       LYS  69   1.802   9.973 -15.250
  549    H    ILE  70           H        ILE  70   9.429   9.653 -13.457
  550    HA   ILE  70           HA       ILE  70  11.811  11.367 -13.821
  551    HB   ILE  70           HB       ILE  70  11.417   8.385 -14.153
  552   1HG1  ILE  70          HG12      ILE  70  12.802   9.878 -11.885
  553   2HG1  ILE  70          HG13      ILE  70  11.125   9.345 -11.805
  554   1HG2  ILE  70          HG21      ILE  70  13.317   9.272 -15.488
  555   2HG2  ILE  70          HG22      ILE  70  13.944  10.104 -14.050
  556   3HG2  ILE  70          HG23      ILE  70  13.924   8.329 -14.126
  557   1HD1  ILE  70          HD11      ILE  70  13.515   7.488 -12.145
  558   2HD1  ILE  70          HD12      ILE  70  12.548   7.731 -10.693
  559   3HD1  ILE  70          HD13      ILE  70  11.801   7.002 -12.116
  560    H    THR  71           H        THR  71   9.584   9.254 -15.754
  561    HA   THR  71           HA       THR  71   9.899  11.069 -18.031
  562    HB   THR  71           HB       THR  71   9.666   9.050 -19.540
  563    HG1  THR  71           HG1      THR  71  10.179   7.053 -18.718
  564   1HG2  THR  71          HG21      THR  71  11.885  10.150 -19.232
  565   2HG2  THR  71          HG22      THR  71  12.239   9.030 -17.899
  566   3HG2  THR  71          HG23      THR  71  12.026   8.413 -19.550
  567    HA   PRO  72           HA       PRO  72   5.747  11.673 -17.931
  568   1HB   PRO  72          HB2       PRO  72   5.308  10.225 -20.553
  569   2HB   PRO  72          HB3       PRO  72   4.609  11.783 -20.002
  570   1HG   PRO  72          HG2       PRO  72   6.775  11.802 -21.608
  571   2HG   PRO  72          HG3       PRO  72   6.737  12.880 -20.174
  572   1HD   PRO  72          HD2       PRO  72   8.144  10.238 -20.513
  573   2HD   PRO  72          HD3       PRO  72   8.719  11.734 -19.718
  574    H    THR  73           H        THR  73   6.368   8.218 -18.408
  575    HA   THR  73           HA       THR  73   3.750   7.583 -17.167
  576    HB   THR  73           HB       THR  73   4.052   5.419 -18.558
  577    HG1  THR  73           HG1      THR  73   5.466   5.546 -20.258
  578   1HG2  THR  73          HG21      THR  73   3.134   6.421 -20.588
  579   2HG2  THR  73          HG22      THR  73   2.442   7.218 -19.169
  580   3HG2  THR  73          HG23      THR  73   3.712   8.031 -20.108
  581    H    HIS  74           H        HIS  74   6.724   7.946 -16.115
  582    HA   HIS  74           HA       HIS  74   6.687   5.472 -14.452
  583   1HB   HIS  74          HB2       HIS  74   9.091   6.730 -15.805
  584   2HB   HIS  74          HB3       HIS  74   9.157   5.517 -14.531
  585    HD1  HIS  74           HD1      HIS  74   8.842   2.993 -15.262
  586    HD2  HIS  74           HD2      HIS  74   8.012   5.859 -18.232
  587    HE1  HIS  74           HE1      HIS  74   8.441   1.697 -17.409
  588    H    ALA  75           H        ALA  75   5.432   6.847 -13.134
  589    HA   ALA  75           HA       ALA  75   6.602   9.075 -11.683
  590   1HB   ALA  75          HB1       ALA  75   4.715   8.682 -10.130
  591   2HB   ALA  75          HB2       ALA  75   4.151   8.774 -11.801
  592   3HB   ALA  75          HB3       ALA  75   4.287   7.196 -10.996
  593    H    MET  76           H        MET  76   8.443   8.696 -10.605
  594    HA   MET  76           HA       MET  76   9.550   6.380  -9.587
  595   1HB   MET  76          HB2       MET  76  10.585   8.644  -9.809
  596   2HB   MET  76          HB3       MET  76   9.626   9.217  -8.455
  597   1HG   MET  76          HG2       MET  76  10.750   7.407  -7.044
  598   2HG   MET  76          HG3       MET  76  11.840   7.141  -8.405
  599   1HE   MET  76          HE1       MET  76  12.120  10.300  -9.462
  600   2HE   MET  76          HE2       MET  76  13.574  10.785  -8.567
  601   3HE   MET  76          HE3       MET  76  13.515   9.197  -9.354
  602    H    LYS  77           H        LYS  77   8.821   4.954  -8.076
  603    HA   LYS  77           HA       LYS  77   7.176   5.973  -5.782
  604   1HB   LYS  77          HB2       LYS  77   7.836   3.196  -6.795
  605   2HB   LYS  77          HB3       LYS  77   7.109   3.518  -5.205
  606   1HG   LYS  77          HG2       LYS  77   5.235   4.714  -6.543
  607   2HG   LYS  77          HG3       LYS  77   5.904   3.889  -7.957
  608   1HD   LYS  77          HD2       LYS  77   4.620   2.721  -5.475
  609   2HD   LYS  77          HD3       LYS  77   4.156   2.476  -7.162
  610   1HE   LYS  77          HE2       LYS  77   6.234   1.112  -7.511
  611   2HE   LYS  77          HE3       LYS  77   6.691   1.399  -5.831
  612   1HZ   LYS  77          HZ1       LYS  77   5.703  -0.666  -5.832
  613   2HZ   LYS  77          HZ2       LYS  77   4.540   0.291  -5.227
  614   3HZ   LYS  77          HZ3       LYS  77   4.426  -0.222  -6.778
  615    H    ILE  78           H        ILE  78   8.066   5.617  -3.689
  616    HA   ILE  78           HA       ILE  78  10.928   4.871  -3.493
  617    HB   ILE  78           HB       ILE  78   9.723   7.353  -2.226
  618   1HG1  ILE  78          HG12      ILE  78  11.640   7.271  -4.580
  619   2HG1  ILE  78          HG13      ILE  78   9.952   7.770  -4.645
  620   1HG2  ILE  78          HG21      ILE  78  12.612   6.442  -2.297
  621   2HG2  ILE  78          HG22      ILE  78  11.988   7.881  -1.479
  622   3HG2  ILE  78          HG23      ILE  78  11.534   6.296  -0.899
  623   1HD1  ILE  78          HD11      ILE  78  10.479   9.653  -3.103
  624   2HD1  ILE  78          HD12      ILE  78  12.206   9.232  -3.239
  625   3HD1  ILE  78          HD13      ILE  78  11.294   9.727  -4.666
  626    H    THR  79           H        THR  79  11.284   3.732  -1.632
  627    HA   THR  79           HA       THR  79   9.342   3.739   0.595
  628    HB   THR  79           HB       THR  79   9.878   1.136   0.605
  629    HG1  THR  79           HG1      THR  79  11.086   1.578  -1.554
  630   1HG2  THR  79          HG21      THR  79   7.602   2.170   0.359
  631   2HG2  THR  79          HG22      THR  79   7.860   2.251  -1.392
  632   3HG2  THR  79          HG23      THR  79   7.806   0.676  -0.563
  633    H    PHE  80           H        PHE  80  10.480   3.147   2.649
  634    HA   PHE  80           HA       PHE  80  13.285   4.029   2.572
  635   1HB   PHE  80          HB2       PHE  80  11.496   2.995   4.802
  636   2HB   PHE  80          HB3       PHE  80  13.208   3.326   5.029
  637    HD1  PHE  80           HD1      PHE  80  10.029   4.752   5.416
  638    HD2  PHE  80           HD2      PHE  80  14.034   5.726   4.147
  639    HE1  PHE  80           HE1      PHE  80   9.585   7.161   5.835
  640    HE2  PHE  80           HE2      PHE  80  13.565   8.134   4.499
  641    HZ   PHE  80           HZ       PHE  80  11.323   8.850   5.327
  642    H    ALA  81           H        ALA  81  15.002   2.720   2.236
  643    HA   ALA  81           HA       ALA  81  14.648  -0.200   2.024
  644   1HB   ALA  81          HB1       ALA  81  17.013  -0.214   1.385
  645   2HB   ALA  81          HB2       ALA  81  16.152   0.990   0.430
  646   3HB   ALA  81          HB3       ALA  81  17.164   1.499   1.799
  647    H    LYS  82           H        LYS  82  16.839  -1.219   3.227
  648    HA   LYS  82           HA       LYS  82  16.595  -0.445   6.114
  649   1HB   LYS  82          HB2       LYS  82  16.721  -3.253   4.928
  650   2HB   LYS  82          HB3       LYS  82  16.659  -2.844   6.649
  651   1HG   LYS  82          HG2       LYS  82  14.446  -1.718   6.264
  652   2HG   LYS  82          HG3       LYS  82  14.485  -2.259   4.587
  653   1HD   LYS  82          HD2       LYS  82  13.125  -3.832   5.662
  654   2HD   LYS  82          HD3       LYS  82  14.672  -4.651   5.422
  655   1HE   LYS  82          HE2       LYS  82  15.284  -4.136   7.796
  656   2HE   LYS  82          HE3       LYS  82  13.729  -3.317   8.006
  657   1HZ   LYS  82          HZ1       LYS  82  14.062  -6.196   7.386
  658   2HZ   LYS  82          HZ2       LYS  82  13.660  -5.580   8.839
  659   3HZ   LYS  82          HZ3       LYS  82  12.626  -5.434   7.588
  660    H    LYS  83           H        LYS  83  18.419  -1.725   7.375
  661    HA   LYS  83           HA       LYS  83  20.979  -1.802   5.933
  662   1HB   LYS  83          HB2       LYS  83  20.470  -0.259   8.524
  663   2HB   LYS  83          HB3       LYS  83  22.065  -0.718   7.917
  664   1HG   LYS  83          HG2       LYS  83  21.579   0.568   5.809
  665   2HG   LYS  83          HG3       LYS  83  20.108   1.191   6.569
  666   1HD   LYS  83          HD2       LYS  83  22.954   1.557   7.595
  667   2HD   LYS  83          HD3       LYS  83  22.025   2.767   6.699
  668   1HE   LYS  83          HE2       LYS  83  20.384   2.938   8.499
  669   2HE   LYS  83          HE3       LYS  83  21.142   1.607   9.379
  670   1HZ   LYS  83          HZ1       LYS  83  23.102   2.972   9.689
  671   2HZ   LYS  83          HZ2       LYS  83  22.457   4.220   8.845
  672   3HZ   LYS  83          HZ3       LYS  83  21.797   3.754  10.268
  Start of MODEL   19
    1   1H    ALA   1          H1        ALA   1   4.065  -5.169  -3.502
    2   2H    ALA   1          H2        ALA   1   3.716  -6.171  -2.262
    3   3H    ALA   1          H3        ALA   1   2.509  -5.621  -3.233
    4    HA   ALA   1           HA       ALA   1   2.841  -3.383  -2.500
    5   1HB   ALA   1          HB1       ALA   1   1.221  -4.728  -1.213
    6   2HB   ALA   1          HB2       ALA   1   2.525  -5.315  -0.154
    7   3HB   ALA   1          HB3       ALA   1   2.085  -3.594  -0.161
    8    H    GLN   2           H        GLN   2   4.250  -1.850  -1.752
    9    HA   GLN   2           HA       GLN   2   6.955  -2.622  -1.120
   10   1HB   GLN   2          HB2       GLN   2   7.424  -0.293  -0.958
   11   2HB   GLN   2          HB3       GLN   2   6.397  -0.552  -2.358
   12   1HG   GLN   2          HG2       GLN   2   4.418   0.231  -1.028
   13   2HG   GLN   2          HG3       GLN   2   5.480   0.518   0.352
   14   1HE2  GLN   2          HE22      GLN   2   7.760   1.732  -1.028
   15   2HE2  GLN   2          HE21      GLN   2   7.210   3.309  -1.470
   16    H    THR   3           H        THR   3   8.040  -1.555   0.890
   17    HA   THR   3           HA       THR   3   6.467  -2.117   3.351
   18    HB   THR   3           HB       THR   3   8.729  -3.234   4.069
   19    HG1  THR   3           HG1      THR   3   8.791  -3.742   1.272
   20   1HG2  THR   3          HG21      THR   3   6.607  -4.456   3.897
   21   2HG2  THR   3          HG22      THR   3   6.830  -4.646   2.145
   22   3HG2  THR   3          HG23      THR   3   7.954  -5.427   3.281
   23    H    GLU   4           H        GLU   4   6.341   0.290   3.173
   24    HA   GLU   4           HA       GLU   4   8.695   1.908   3.624
   25   1HB   GLU   4          HB2       GLU   4   5.728   2.400   4.115
   26   2HB   GLU   4          HB3       GLU   4   6.992   3.610   4.385
   27   1HG   GLU   4          HG2       GLU   4   7.660   3.496   2.013
   28   2HG   GLU   4          HG3       GLU   4   6.422   2.282   1.702
   29    H    GLN   5           H        GLN   5   9.176   2.966   5.710
   30    HA   GLN   5           HA       GLN   5   8.588   1.427   8.139
   31   1HB   GLN   5          HB2       GLN   5  11.305   1.632   6.731
   32   2HB   GLN   5          HB3       GLN   5  11.181   1.231   8.424
   33   1HG   GLN   5          HG2       GLN   5  10.024  -0.447   6.176
   34   2HG   GLN   5          HG3       GLN   5  11.535  -0.733   7.020
   35   1HE2  GLN   5          HE22      GLN   5   7.988  -0.769   7.364
   36   2HE2  GLN   5          HE21      GLN   5   7.964  -1.772   8.807
   37    HA   PRO   6           HA       PRO   6   9.922   5.406  10.049
   38   1HB   PRO   6          HB2       PRO   6  11.993   3.699  11.446
   39   2HB   PRO   6          HB3       PRO   6  11.006   5.037  12.114
   40   1HG   PRO   6          HG2       PRO   6  10.295   2.469  12.593
   41   2HG   PRO   6          HG3       PRO   6   9.037   3.667  12.139
   42   1HD   PRO   6          HD2       PRO   6  10.397   1.610  10.394
   43   2HD   PRO   6          HD3       PRO   6   8.664   2.050  10.467
   44    HA   PRO   7           HA       PRO   7  13.026   6.683   7.261
   45   1HB   PRO   7          HB2       PRO   7  14.293   8.183   9.570
   46   2HB   PRO   7          HB3       PRO   7  14.005   8.746   7.895
   47   1HG   PRO   7          HG2       PRO   7  12.284   9.436   9.857
   48   2HG   PRO   7          HG3       PRO   7  11.641   8.876   8.277
   49   1HD   PRO   7          HD2       PRO   7  11.900   7.324  10.858
   50   2HD   PRO   7          HD3       PRO   7  10.570   7.345   9.660
   51    H    ASN   8           H        ASN   8  15.024   6.201   6.398
   52    HA   ASN   8           HA       ASN   8  17.266   5.345   8.081
   53   1HB   ASN   8          HB2       ASN   8  16.204   3.165   7.549
   54   2HB   ASN   8          HB3       ASN   8  16.106   3.611   5.847
   55   1HD2  ASN   8          HD22      ASN   8  17.476   2.065   4.971
   56   2HD2  ASN   8          HD21      ASN   8  19.197   2.010   5.324
   57    H    GLN   9           H        GLN   9  19.279   5.681   6.916
   58    HA   GLN   9           HA       GLN   9  19.128   7.879   5.039
   59   1HB   GLN   9          HB2       GLN   9  21.433   8.134   5.368
   60   2HB   GLN   9          HB3       GLN   9  20.732   7.758   6.928
   61   1HG   GLN   9          HG2       GLN   9  21.500   5.371   6.665
   62   2HG   GLN   9          HG3       GLN   9  22.274   5.822   5.140
   63   1HE2  GLN   9          HE22      GLN   9  23.790   7.884   5.350
   64   2HE2  GLN   9          HE21      GLN   9  24.834   7.868   6.752
   65    H    ILE  10           H        ILE  10  18.509   4.827   4.222
   66    HA   ILE  10           HA       ILE  10  19.789   5.079   1.587
   67    HB   ILE  10           HB       ILE  10  19.656   2.433   3.087
   68   1HG1  ILE  10          HG12      ILE  10  22.098   4.152   2.487
   69   2HG1  ILE  10          HG13      ILE  10  21.407   3.839   4.082
   70   1HG2  ILE  10          HG21      ILE  10  20.879   1.507   1.162
   71   2HG2  ILE  10          HG22      ILE  10  19.412   2.253   0.581
   72   3HG2  ILE  10          HG23      ILE  10  20.954   3.112   0.404
   73   1HD1  ILE  10          HD11      ILE  10  23.325   2.462   3.873
   74   2HD1  ILE  10          HD12      ILE  10  21.903   1.402   3.802
   75   3HD1  ILE  10          HD13      ILE  10  22.801   1.812   2.316
   76    H    LEU  11           H        LEU  11  18.388   4.460  -0.015
   77    HA   LEU  11           HA       LEU  11  15.568   3.844   0.758
   78   1HB   LEU  11          HB2       LEU  11  16.573   5.698  -1.435
   79   2HB   LEU  11          HB3       LEU  11  14.891   5.346  -1.055
   80    HG   LEU  11           HG       LEU  11  16.836   6.847   0.755
   81   1HD1  LEU  11          HD11      LEU  11  15.471   8.819   0.214
   82   2HD1  LEU  11          HD12      LEU  11  16.218   8.135  -1.237
   83   3HD1  LEU  11          HD13      LEU  11  14.497   7.850  -0.911
   84   1HD2  LEU  11          HD21      LEU  11  14.729   7.381   2.052
   85   2HD2  LEU  11          HD22      LEU  11  13.884   6.156   1.085
   86   3HD2  LEU  11          HD23      LEU  11  15.248   5.696   2.136
   87    H    PHE  12           H        PHE  12  14.455   2.601  -0.774
   88    HA   PHE  12           HA       PHE  12  16.017   1.381  -2.995
   89   1HB   PHE  12          HB2       PHE  12  15.602  -0.358  -1.314
   90   2HB   PHE  12          HB3       PHE  12  13.904   0.104  -1.208
   91    HD1  PHE  12           HD1      PHE  12  12.396  -1.321  -2.358
   92    HD2  PHE  12           HD2      PHE  12  16.350  -0.735  -3.966
   93    HE1  PHE  12           HE1      PHE  12  11.946  -3.019  -4.107
   94    HE2  PHE  12           HE2      PHE  12  15.878  -2.383  -5.744
   95    HZ   PHE  12           HZ       PHE  12  13.685  -3.551  -5.815
   96    H    LEU  13           H        LEU  13  14.942   1.543  -4.935
   97    HA   LEU  13           HA       LEU  13  12.377   3.086  -4.940
   98   1HB   LEU  13          HB2       LEU  13  15.028   3.552  -6.366
   99   2HB   LEU  13          HB3       LEU  13  13.508   4.060  -7.063
  100    HG   LEU  13           HG       LEU  13  13.010   5.445  -5.052
  101   1HD1  LEU  13          HD11      LEU  13  15.112   6.151  -3.733
  102   2HD1  LEU  13          HD12      LEU  13  14.419   4.592  -3.309
  103   3HD1  LEU  13          HD13      LEU  13  15.872   4.655  -4.323
  104   1HD2  LEU  13          HD21      LEU  13  15.602   6.034  -6.571
  105   2HD2  LEU  13          HD22      LEU  13  13.962   6.334  -7.180
  106   3HD2  LEU  13          HD23      LEU  13  14.553   7.227  -5.780
  107    H    THR  14           H        THR  14  11.021   2.603  -6.596
  108    HA   THR  14           HA       THR  14  11.650   0.394  -8.467
  109    HB   THR  14           HB       THR  14   9.433  -0.630  -7.704
  110    HG1  THR  14           HG1      THR  14   8.786  -0.076  -5.601
  111   1HG2  THR  14          HG21      THR  14  11.667  -1.555  -6.969
  112   2HG2  THR  14          HG22      THR  14  11.542  -0.560  -5.510
  113   3HG2  THR  14          HG23      THR  14  10.347  -1.833  -5.826
  114    H    ASN  15           H        ASN  15   9.640   0.047  -9.919
  115    HA   ASN  15           HA       ASN  15   8.407   0.784 -11.607
  116   1HB   ASN  15          HB2       ASN  15   6.845   1.296  -9.700
  117   2HB   ASN  15          HB3       ASN  15   7.415   2.964  -9.744
  118   1HD2  ASN  15          HD22      ASN  15   6.015   4.285 -10.853
  119   2HD2  ASN  15          HD21      ASN  15   4.954   3.758 -12.159
  120    H    LEU  16           H        LEU  16  11.120   1.817 -11.363
  121    HA   LEU  16           HA       LEU  16  11.145   4.578 -12.344
  122   1HB   LEU  16          HB2       LEU  16  13.429   2.596 -12.365
  123   2HB   LEU  16          HB3       LEU  16  13.522   4.343 -12.322
  124    HG   LEU  16           HG       LEU  16  12.575   2.570 -10.038
  125   1HD1  LEU  16          HD11      LEU  16  14.645   3.159  -8.966
  126   2HD1  LEU  16          HD12      LEU  16  14.979   2.419 -10.543
  127   3HD1  LEU  16          HD13      LEU  16  15.125   4.170 -10.354
  128   1HD2  LEU  16          HD21      LEU  16  13.208   5.517  -9.808
  129   2HD2  LEU  16          HD22      LEU  16  11.564   4.969 -10.214
  130   3HD2  LEU  16          HD23      LEU  16  12.280   4.472  -8.710
  131    HA   PRO  17           HA       PRO  17  11.096   3.775 -16.782
  132   1HB   PRO  17          HB2       PRO  17  13.879   4.844 -16.950
  133   2HB   PRO  17          HB3       PRO  17  12.442   5.251 -17.924
  134   1HG   PRO  17          HG2       PRO  17  13.422   6.814 -15.880
  135   2HG   PRO  17          HG3       PRO  17  11.686   6.769 -16.310
  136   1HD   PRO  17          HD2       PRO  17  13.029   5.640 -13.947
  137   2HD   PRO  17          HD3       PRO  17  11.317   6.023 -14.194
  138    H    GLU  18           H        GLU  18  11.805   2.083 -18.173
  139    HA   GLU  18           HA       GLU  18  13.616   0.055 -17.133
  140   1HB   GLU  18          HB2       GLU  18  12.271   0.413 -19.850
  141   2HB   GLU  18          HB3       GLU  18  13.207  -1.010 -19.365
  142   1HG   GLU  18          HG2       GLU  18  11.643  -1.396 -17.469
  143   2HG   GLU  18          HG3       GLU  18  10.660  -0.034 -18.006
  144    H    GLU  19           H        GLU  19  14.423   3.007 -18.016
  145    HA   GLU  19           HA       GLU  19  16.929   2.287 -19.296
  146   1HB   GLU  19          HB2       GLU  19  15.187   4.657 -20.105
  147   2HB   GLU  19          HB3       GLU  19  16.720   4.176 -20.842
  148   1HG   GLU  19          HG2       GLU  19  15.618   2.016 -21.558
  149   2HG   GLU  19          HG3       GLU  19  14.079   2.664 -20.966
  150    H    THR  20           H        THR  20  15.817   3.242 -16.490
  151    HA   THR  20           HA       THR  20  16.864   5.831 -15.903
  152    HB   THR  20           HB       THR  20  16.766   3.483 -13.976
  153    HG1  THR  20           HG1      THR  20  14.752   3.405 -14.750
  154   1HG2  THR  20          HG21      THR  20  16.177   6.472 -13.674
  155   2HG2  THR  20          HG22      THR  20  16.046   5.254 -12.390
  156   3HG2  THR  20          HG23      THR  20  17.638   5.641 -13.073
  157    H    ASN  21           H        ASN  21  18.867   6.451 -15.073
  158    HA   ASN  21           HA       ASN  21  21.060   4.479 -15.106
  159   1HB   ASN  21          HB2       ASN  21  21.045   5.587 -17.340
  160   2HB   ASN  21          HB3       ASN  21  21.085   7.165 -16.550
  161   1HD2  ASN  21          HD22      ASN  21  23.107   7.670 -17.657
  162   2HD2  ASN  21          HD21      ASN  21  24.599   6.986 -17.066
  163    H    GLU  22           H        GLU  22  22.876   5.291 -13.834
  164    HA   GLU  22           HA       GLU  22  22.086   6.277 -11.307
  165   1HB   GLU  22          HB2       GLU  22  24.068   4.824 -11.989
  166   2HB   GLU  22          HB3       GLU  22  24.878   6.296 -12.537
  167   1HG   GLU  22          HG2       GLU  22  24.702   7.209 -10.218
  168   2HG   GLU  22          HG3       GLU  22  23.905   5.711  -9.712
  169    H    MET  23           H        MET  23  23.478   7.945 -14.094
  170    HA   MET  23           HA       MET  23  23.924  10.464 -12.909
  171   1HB   MET  23          HB2       MET  23  23.244   9.668 -15.776
  172   2HB   MET  23          HB3       MET  23  23.629  11.319 -15.289
  173   1HG   MET  23          HG2       MET  23  25.608  10.375 -16.147
  174   2HG   MET  23          HG3       MET  23  25.804  10.578 -14.408
  175   1HE   MET  23          HE1       MET  23  28.008   9.145 -14.455
  176   2HE   MET  23          HE2       MET  23  28.132   7.536 -15.200
  177   3HE   MET  23          HE3       MET  23  27.835   8.963 -16.216
  178    H    MET  24           H        MET  24  20.936   9.102 -14.300
  179    HA   MET  24           HA       MET  24  19.446  11.558 -14.367
  180   1HB   MET  24          HB2       MET  24  18.350   8.714 -13.954
  181   2HB   MET  24          HB3       MET  24  17.412  10.166 -14.292
  182   1HG   MET  24          HG2       MET  24  18.602  10.406 -16.454
  183   2HG   MET  24          HG3       MET  24  19.510   8.924 -16.090
  184   1HE   MET  24          HE1       MET  24  17.196   7.674 -18.961
  185   2HE   MET  24          HE2       MET  24  18.038   9.234 -18.816
  186   3HE   MET  24          HE3       MET  24  18.854   7.730 -18.325
  187    H    LEU  25           H        LEU  25  19.543   8.915 -11.984
  188    HA   LEU  25           HA       LEU  25  17.807  10.315 -10.163
  189   1HB   LEU  25          HB2       LEU  25  19.722   7.997  -9.704
  190   2HB   LEU  25          HB3       LEU  25  18.531   8.576  -8.527
  191    HG   LEU  25           HG       LEU  25  18.086   7.115 -11.137
  192   1HD1  LEU  25          HD11      LEU  25  17.148   6.698  -8.259
  193   2HD1  LEU  25          HD12      LEU  25  16.695   5.671  -9.640
  194   3HD1  LEU  25          HD13      LEU  25  18.381   5.762  -9.131
  195   1HD2  LEU  25          HD21      LEU  25  16.031   8.774  -9.634
  196   2HD2  LEU  25          HD22      LEU  25  16.486   8.870 -11.361
  197   3HD2  LEU  25          HD23      LEU  25  15.602   7.466 -10.770
  198    H    SER  26           H        SER  26  21.369  10.174 -10.536
  199    HA   SER  26           HA       SER  26  22.028  11.507  -8.117
  200   1HB   SER  26          HB2       SER  26  23.383  11.758 -10.839
  201   2HB   SER  26          HB3       SER  26  24.060  12.263  -9.283
  202    HG   SER  26           HG       SER  26  23.379   9.636 -10.123
  203    H    MET  27           H        MET  27  21.212  12.879 -11.368
  204    HA   MET  27           HA       MET  27  21.378  15.602 -10.497
  205   1HB   MET  27          HB2       MET  27  19.715  14.377 -12.744
  206   2HB   MET  27          HB3       MET  27  19.973  16.112 -12.510
  207   1HG   MET  27          HG2       MET  27  22.165  14.079 -12.914
  208   2HG   MET  27          HG3       MET  27  21.483  15.072 -14.199
  209   1HE   MET  27          HE1       MET  27  24.077  15.597 -14.743
  210   2HE   MET  27          HE2       MET  27  25.196  16.340 -13.576
  211   3HE   MET  27          HE3       MET  27  24.594  14.687 -13.305
  212    H    LEU  28           H        LEU  28  18.731  13.255 -10.427
  213    HA   LEU  28           HA       LEU  28  16.753  15.210  -9.610
  214   1HB   LEU  28          HB2       LEU  28  16.753  12.193  -9.274
  215   2HB   LEU  28          HB3       LEU  28  15.407  13.232  -8.823
  216    HG   LEU  28           HG       LEU  28  16.522  12.940 -11.638
  217   1HD1  LEU  28          HD11      LEU  28  13.870  12.014 -10.473
  218   2HD1  LEU  28          HD12      LEU  28  14.443  11.779 -12.139
  219   3HD1  LEU  28          HD13      LEU  28  15.266  10.962 -10.804
  220   1HD2  LEU  28          HD21      LEU  28  14.164  14.580 -10.627
  221   2HD2  LEU  28          HD22      LEU  28  15.630  15.189 -11.434
  222   3HD2  LEU  28          HD23      LEU  28  14.487  14.210 -12.338
  223    H    PHE  29           H        PHE  29  18.593  12.850  -7.610
  224    HA   PHE  29           HA       PHE  29  17.394  14.066  -5.222
  225   1HB   PHE  29          HB2       PHE  29  19.293  11.744  -5.663
  226   2HB   PHE  29          HB3       PHE  29  18.871  12.361  -4.065
  227    HD1  PHE  29           HD1      PHE  29  17.449  10.636  -7.047
  228    HD2  PHE  29           HD2      PHE  29  16.802  11.975  -3.006
  229    HE1  PHE  29           HE1      PHE  29  15.412   9.238  -6.902
  230    HE2  PHE  29           HE2      PHE  29  14.765  10.571  -2.857
  231    HZ   PHE  29           HZ       PHE  29  14.064   9.211  -4.811
  232    H    ASN  30           H        ASN  30  20.531  14.466  -6.878
  233    HA   ASN  30           HA       ASN  30  21.967  15.262  -4.588
  234   1HB   ASN  30          HB2       ASN  30  23.686  16.027  -5.968
  235   2HB   ASN  30          HB3       ASN  30  23.000  14.622  -6.756
  236   1HD2  ASN  30          HD22      ASN  30  24.423  15.734  -8.512
  237   2HD2  ASN  30          HD21      ASN  30  23.603  16.872  -9.549
  238    H    GLN  31           H        GLN  31  19.402  16.906  -6.070
  239    HA   GLN  31           HA       GLN  31  19.993  19.622  -5.580
  240   1HB   GLN  31          HB2       GLN  31  17.348  18.105  -5.402
  241   2HB   GLN  31          HB3       GLN  31  17.514  19.863  -5.461
  242   1HG   GLN  31          HG2       GLN  31  18.583  19.688  -7.704
  243   2HG   GLN  31          HG3       GLN  31  18.362  17.936  -7.667
  244   1HE2  GLN  31          HE22      GLN  31  16.115  17.082  -7.567
  245   2HE2  GLN  31          HE21      GLN  31  14.803  18.044  -8.228
  246    H    PHE  32           H        PHE  32  19.079  16.953  -3.374
  247    HA   PHE  32           HA       PHE  32  18.382  18.789  -1.210
  248   1HB   PHE  32          HB2       PHE  32  18.807  15.783  -1.122
  249   2HB   PHE  32          HB3       PHE  32  18.023  16.766   0.106
  250    HD1  PHE  32           HD1      PHE  32  15.934  18.252  -0.837
  251    HD2  PHE  32           HD2      PHE  32  17.447  14.662  -2.678
  252    HE1  PHE  32           HE1      PHE  32  13.832  18.016  -2.139
  253    HE2  PHE  32           HE2      PHE  32  15.364  14.438  -3.978
  254    HZ   PHE  32           HZ       PHE  32  13.572  16.125  -3.751
  255    HA   PRO  33           HA       PRO  33  22.649  19.164  -0.019
  256   1HB   PRO  33          HB2       PRO  33  22.446  20.430   2.404
  257   2HB   PRO  33          HB3       PRO  33  21.954  21.182   0.864
  258   1HG   PRO  33          HG2       PRO  33  20.182  19.744   2.865
  259   2HG   PRO  33          HG3       PRO  33  19.944  21.370   2.147
  260   1HD   PRO  33          HD2       PRO  33  18.738  19.149   1.123
  261   2HD   PRO  33          HD3       PRO  33  19.327  20.466   0.064
  262    H    GLY  34           H        GLY  34  21.284  16.541   0.618
  263   1HA   GLY  34          HA2       GLY  34  23.162  15.570   2.706
  264   2HA   GLY  34          HA3       GLY  34  21.428  15.216   2.833
  265    H    PHE  35           H        PHE  35  21.871  15.168  -0.458
  266    HA   PHE  35           HA       PHE  35  21.826  12.315  -0.682
  267   1HB   PHE  35          HB2       PHE  35  20.840  13.586  -2.417
  268   2HB   PHE  35          HB3       PHE  35  22.216  14.670  -2.532
  269    HD1  PHE  35           HD1      PHE  35  20.787  11.508  -3.744
  270    HD2  PHE  35           HD2      PHE  35  24.324  13.976  -3.680
  271    HE1  PHE  35           HE1      PHE  35  21.617  10.379  -5.784
  272    HE2  PHE  35           HE2      PHE  35  25.197  12.749  -5.657
  273    HZ   PHE  35           HZ       PHE  35  23.841  10.966  -6.712
  274    H    LYS  36           H        LYS  36  23.446  10.976  -1.335
  275    HA   LYS  36           HA       LYS  36  26.256  11.986  -1.295
  276   1HB   LYS  36          HB2       LYS  36  25.165   9.527   0.143
  277   2HB   LYS  36          HB3       LYS  36  26.872   9.823  -0.200
  278   1HG   LYS  36          HG2       LYS  36  26.734  11.986   1.071
  279   2HG   LYS  36          HG3       LYS  36  25.055  11.620   1.469
  280   1HD   LYS  36          HD2       LYS  36  26.538  11.084   3.335
  281   2HD   LYS  36          HD3       LYS  36  25.772   9.602   2.715
  282   1HE   LYS  36          HE2       LYS  36  27.787   9.053   1.460
  283   2HE   LYS  36          HE3       LYS  36  28.543  10.577   1.950
  284   1HZ   LYS  36          HZ1       LYS  36  28.523   9.774   4.244
  285   2HZ   LYS  36          HZ2       LYS  36  27.814   8.367   3.796
  286   3HZ   LYS  36          HZ3       LYS  36  29.321   8.722   3.297
  287    H    GLU  37           H        GLU  37  24.074   9.178  -2.237
  288    HA   GLU  37           HA       GLU  37  25.483   9.070  -4.773
  289   1HB   GLU  37          HB2       GLU  37  26.927   7.862  -2.822
  290   2HB   GLU  37          HB3       GLU  37  25.800   6.547  -3.126
  291   1HG   GLU  37          HG2       GLU  37  26.487   6.561  -5.535
  292   2HG   GLU  37          HG3       GLU  37  27.535   7.941  -5.224
  293    H    VAL  38           H        VAL  38  24.803   6.938  -5.948
  294    HA   VAL  38           HA       VAL  38  22.349   5.705  -5.115
  295    HB   VAL  38           HB       VAL  38  21.245   7.521  -6.066
  296   1HG1  VAL  38          HG11      VAL  38  23.039   8.795  -7.062
  297   2HG1  VAL  38          HG12      VAL  38  23.226   7.603  -8.360
  298   3HG1  VAL  38          HG13      VAL  38  21.753   8.582  -8.243
  299   1HG2  VAL  38          HG21      VAL  38  20.108   6.781  -7.978
  300   2HG2  VAL  38          HG22      VAL  38  21.459   5.775  -8.544
  301   3HG2  VAL  38          HG23      VAL  38  20.505   5.327  -7.114
  302    H    ARG  39           H        ARG  39  21.942   3.821  -6.441
  303    HA   ARG  39           HA       ARG  39  24.103   2.968  -8.270
  304   1HB   ARG  39          HB2       ARG  39  23.022   1.223  -5.995
  305   2HB   ARG  39          HB3       ARG  39  24.185   0.763  -7.230
  306   1HG   ARG  39          HG2       ARG  39  25.660   1.166  -5.544
  307   2HG   ARG  39          HG3       ARG  39  25.606   2.791  -6.223
  308   1HD   ARG  39          HD2       ARG  39  23.739   3.262  -4.470
  309   2HD   ARG  39          HD3       ARG  39  24.164   1.695  -3.772
  310    HE   ARG  39           HE       ARG  39  26.392   3.600  -4.163
  311   1HH1  ARG  39          HH21      ARG  39  23.992   2.378  -1.803
  312   2HH1  ARG  39          HH22      ARG  39  24.822   3.104  -0.450
  313   1HH2  ARG  39          HH11      ARG  39  27.397   4.459  -2.476
  314   2HH2  ARG  39          HH12      ARG  39  26.747   4.425  -0.835
  315    H    LEU  40           H        LEU  40  23.282   1.557  -9.851
  316    HA   LEU  40           HA       LEU  40  20.302   1.311  -9.990
  317   1HB   LEU  40          HB2       LEU  40  22.398   2.136 -11.989
  318   2HB   LEU  40          HB3       LEU  40  21.168   1.061 -12.592
  319    HG   LEU  40           HG       LEU  40  20.705   3.454 -12.985
  320   1HD1  LEU  40          HD11      LEU  40  18.865   1.941 -13.111
  321   2HD1  LEU  40          HD12      LEU  40  18.652   1.916 -11.348
  322   3HD1  LEU  40          HD13      LEU  40  18.311   3.389 -12.263
  323   1HD2  LEU  40          HD21      LEU  40  20.031   4.967 -11.282
  324   2HD2  LEU  40          HD22      LEU  40  20.055   3.705 -10.031
  325   3HD2  LEU  40          HD23      LEU  40  21.574   4.260 -10.755
  326    H    VAL  41           H        VAL  41  19.631  -0.540 -11.347
  327    HA   VAL  41           HA       VAL  41  21.443  -2.909 -11.116
  328    HB   VAL  41           HB       VAL  41  18.428  -2.827 -11.300
  329   1HG1  VAL  41          HG11      VAL  41  18.607  -5.243 -10.741
  330   2HG1  VAL  41          HG12      VAL  41  19.395  -4.880 -12.277
  331   3HG1  VAL  41          HG13      VAL  41  20.377  -5.130 -10.815
  332   1HG2  VAL  41          HG21      VAL  41  20.302  -3.275  -8.930
  333   2HG2  VAL  41          HG22      VAL  41  19.066  -2.009  -9.101
  334   3HG2  VAL  41          HG23      VAL  41  18.583  -3.692  -8.905
  335    HA   PRO  42           HA       PRO  42  21.412  -1.445 -15.394
  336   1HB   PRO  42          HB2       PRO  42  23.974  -2.110 -16.176
  337   2HB   PRO  42          HB3       PRO  42  23.603  -0.750 -15.083
  338   1HG   PRO  42          HG2       PRO  42  24.358  -3.589 -14.297
  339   2HG   PRO  42          HG3       PRO  42  25.131  -2.056 -13.764
  340   1HD   PRO  42          HD2       PRO  42  23.235  -3.234 -12.247
  341   2HD   PRO  42          HD3       PRO  42  23.246  -1.453 -12.465
  342    H    ASN  43           H        ASN  43  20.376  -3.987 -14.564
  343    HA   ASN  43           HA       ASN  43  20.240  -5.220 -17.179
  344   1HB   ASN  43          HB2       ASN  43  20.216  -7.492 -16.367
  345   2HB   ASN  43          HB3       ASN  43  21.710  -6.728 -15.853
  346   1HD2  ASN  43          HD22      ASN  43  22.118  -6.527 -13.589
  347   2HD2  ASN  43          HD21      ASN  43  21.025  -7.148 -12.381
  348    H    ARG  44           H        ARG  44  18.638  -3.668 -14.665
  349    HA   ARG  44           HA       ARG  44  16.037  -4.589 -15.801
  350   1HB   ARG  44          HB2       ARG  44  16.888  -4.498 -12.898
  351   2HB   ARG  44          HB3       ARG  44  15.271  -3.975 -13.316
  352   1HG   ARG  44          HG2       ARG  44  14.904  -6.167 -14.527
  353   2HG   ARG  44          HG3       ARG  44  16.478  -6.700 -13.919
  354   1HD   ARG  44          HD2       ARG  44  14.705  -7.574 -12.511
  355   2HD   ARG  44          HD3       ARG  44  15.663  -6.405 -11.585
  356    HE   ARG  44           HE       ARG  44  13.644  -4.844 -12.592
  357   1HH1  ARG  44          HH21      ARG  44  13.593  -7.841 -10.674
  358   2HH1  ARG  44          HH22      ARG  44  12.091  -7.473  -9.912
  359   1HH2  ARG  44          HH11      ARG  44  11.703  -4.357 -11.633
  360   2HH2  ARG  44          HH12      ARG  44  10.970  -5.439 -10.481
  361    H    HIS  45           H        HIS  45  17.839  -2.059 -14.078
  362    HA   HIS  45           HA       HIS  45  17.704   0.092 -13.832
  363   1HB   HIS  45          HB2       HIS  45  16.004   0.282 -16.322
  364   2HB   HIS  45          HB3       HIS  45  17.007   1.531 -15.607
  365    HD1  HIS  45           HD1      HIS  45  17.121  -0.372 -18.541
  366    HD2  HIS  45           HD2      HIS  45  19.834   0.346 -15.403
  367    HE1  HIS  45           HE1      HIS  45  19.446  -0.907 -19.461
  368    H    ASP  46           H        ASP  46  14.555  -1.498 -14.111
  369    HA   ASP  46           HA       ASP  46  13.000   0.796 -13.483
  370   1HB   ASP  46          HB2       ASP  46  11.138  -0.582 -13.528
  371   2HB   ASP  46          HB3       ASP  46  12.230  -1.298 -14.709
  372    H    ILE  47           H        ILE  47  15.092  -0.897 -11.509
  373    HA   ILE  47           HA       ILE  47  13.885   0.309  -9.163
  374    HB   ILE  47           HB       ILE  47  14.133  -1.491  -7.728
  375   1HG1  ILE  47          HG12      ILE  47  16.338  -2.322  -8.347
  376   2HG1  ILE  47          HG13      ILE  47  15.170  -3.594  -8.056
  377   1HG2  ILE  47          HG21      ILE  47  12.162  -1.745  -9.194
  378   2HG2  ILE  47          HG22      ILE  47  13.092  -2.779 -10.273
  379   3HG2  ILE  47          HG23      ILE  47  12.766  -3.308  -8.610
  380   1HD1  ILE  47          HD11      ILE  47  14.952  -3.990 -10.475
  381   2HD1  ILE  47          HD12      ILE  47  16.133  -2.696 -10.791
  382   3HD1  ILE  47          HD13      ILE  47  16.608  -4.160  -9.899
  383    H    ALA  48           H        ALA  48  15.512   0.808  -7.491
  384    HA   ALA  48           HA       ALA  48  18.354   0.811  -8.221
  385   1HB   ALA  48          HB1       ALA  48  18.515   3.274  -8.267
  386   2HB   ALA  48          HB2       ALA  48  17.407   2.743  -9.543
  387   3HB   ALA  48          HB3       ALA  48  16.770   3.423  -8.030
  388    H    PHE  49           H        PHE  49  19.576   2.161  -6.515
  389    HA   PHE  49           HA       PHE  49  18.128   2.294  -3.919
  390   1HB   PHE  49          HB2       PHE  49  20.892   1.112  -4.411
  391   2HB   PHE  49          HB3       PHE  49  20.284   1.563  -2.828
  392    HD1  PHE  49           HD1      PHE  49  19.667  -0.738  -5.719
  393    HD2  PHE  49           HD2      PHE  49  18.902   0.103  -1.545
  394    HE1  PHE  49           HE1      PHE  49  18.619  -2.974  -5.476
  395    HE2  PHE  49           HE2      PHE  49  17.931  -2.175  -1.286
  396    HZ   PHE  49           HZ       PHE  49  17.794  -3.713  -3.236
  397    H    VAL  50           H        VAL  50  18.706   4.134  -2.681
  398    HA   VAL  50           HA       VAL  50  20.720   6.002  -3.856
  399    HB   VAL  50           HB       VAL  50  17.907   6.717  -2.942
  400   1HG1  VAL  50          HG11      VAL  50  18.419   8.973  -3.805
  401   2HG1  VAL  50          HG12      VAL  50  19.500   8.539  -2.479
  402   3HG1  VAL  50          HG13      VAL  50  20.088   8.472  -4.150
  403   1HG2  VAL  50          HG21      VAL  50  19.034   6.770  -5.755
  404   2HG2  VAL  50          HG22      VAL  50  17.834   5.618  -5.149
  405   3HG2  VAL  50          HG23      VAL  50  17.432   7.332  -5.249
  406    H    GLU  51           H        GLU  51  21.777   7.350  -2.242
  407    HA   GLU  51           HA       GLU  51  21.424   6.440   0.567
  408   1HB   GLU  51          HB2       GLU  51  23.062   5.001  -0.481
  409   2HB   GLU  51          HB3       GLU  51  23.953   6.383  -1.135
  410   1HG   GLU  51          HG2       GLU  51  24.616   7.107   1.078
  411   2HG   GLU  51          HG3       GLU  51  23.549   5.926   1.851
  412    H    PHE  52           H        PHE  52  21.933   7.877   2.072
  413    HA   PHE  52           HA       PHE  52  22.558  10.682   1.313
  414   1HB   PHE  52          HB2       PHE  52  20.209   9.405   2.706
  415   2HB   PHE  52          HB3       PHE  52  20.739  10.948   3.302
  416    HD1  PHE  52           HD1      PHE  52  19.976  12.919   2.395
  417    HD2  PHE  52           HD2      PHE  52  19.722   9.308   0.055
  418    HE1  PHE  52           HE1      PHE  52  18.731  14.147   0.641
  419    HE2  PHE  52           HE2      PHE  52  18.507  10.553  -1.716
  420    HZ   PHE  52           HZ       PHE  52  18.048  12.975  -1.433
  421    H    THR  53           H        THR  53  23.084  11.982   3.105
  422    HA   THR  53           HA       THR  53  25.002  11.060   4.987
  423    HB   THR  53           HB       THR  53  23.299  13.588   4.804
  424    HG1  THR  53           HG1      THR  53  24.578  13.371   3.024
  425   1HG2  THR  53          HG21      THR  53  25.784  13.050   6.471
  426   2HG2  THR  53          HG22      THR  53  25.112  14.669   6.139
  427   3HG2  THR  53          HG23      THR  53  24.157  13.486   7.044
  428    H    THR  54           H        THR  54  21.527  12.018   5.442
  429    HA   THR  54           HA       THR  54  21.534  10.576   8.025
  430    HB   THR  54           HB       THR  54  20.103  12.802   8.620
  431    HG1  THR  54           HG1      THR  54  21.231  14.597   7.882
  432   1HG2  THR  54          HG21      THR  54  23.122  12.543   8.852
  433   2HG2  THR  54          HG22      THR  54  22.093  13.650   9.793
  434   3HG2  THR  54          HG23      THR  54  21.908  11.898   9.977
  435    H    GLU  55           H        GLU  55  19.646   9.953   8.757
  436    HA   GLU  55           HA       GLU  55  17.813   8.889   6.905
  437   1HB   GLU  55          HB2       GLU  55  17.216   9.337   9.860
  438   2HB   GLU  55          HB3       GLU  55  16.559   8.117   8.779
  439   1HG   GLU  55          HG2       GLU  55  18.029   6.812   9.889
  440   2HG   GLU  55          HG3       GLU  55  19.094   7.330   8.595
  441    H    LEU  56           H        LEU  56  17.668  11.880   8.817
  442    HA   LEU  56           HA       LEU  56  14.921  12.523   8.269
  443   1HB   LEU  56          HB2       LEU  56  17.355  14.077   9.194
  444   2HB   LEU  56          HB3       LEU  56  15.912  14.940   8.671
  445    HG   LEU  56           HG       LEU  56  14.528  13.784  10.332
  446   1HD1  LEU  56          HD11      LEU  56  15.600  12.518  12.193
  447   2HD1  LEU  56          HD12      LEU  56  15.707  11.665  10.655
  448   3HD1  LEU  56          HD13      LEU  56  17.133  12.518  11.296
  449   1HD2  LEU  56          HD21      LEU  56  15.589  15.948  10.859
  450   2HD2  LEU  56          HD22      LEU  56  15.432  14.945  12.307
  451   3HD2  LEU  56          HD23      LEU  56  17.012  15.106  11.509
  452    H    GLN  57           H        GLN  57  17.977  13.072   6.480
  453    HA   GLN  57           HA       GLN  57  16.657  14.929   4.643
  454   1HB   GLN  57          HB2       GLN  57  19.454  13.725   4.600
  455   2HB   GLN  57          HB3       GLN  57  18.821  14.936   3.466
  456   1HG   GLN  57          HG2       GLN  57  18.264  16.373   5.537
  457   2HG   GLN  57          HG3       GLN  57  19.271  15.250   6.457
  458   1HE2  GLN  57          HE22      GLN  57  21.594  15.094   5.851
  459   2HE2  GLN  57          HE21      GLN  57  22.353  16.434   4.993
  460    H    SER  58           H        SER  58  17.745  11.440   4.518
  461    HA   SER  58           HA       SER  58  16.818  11.045   1.836
  462   1HB   SER  58          HB2       SER  58  16.505   8.649   2.615
  463   2HB   SER  58          HB3       SER  58  18.130   9.305   2.781
  464    HG   SER  58           HG       SER  58  16.951   8.151   4.650
  465    H    ASN  59           H        ASN  59  15.131  10.849   5.036
  466    HA   ASN  59           HA       ASN  59  12.615  10.101   4.041
  467   1HB   ASN  59          HB2       ASN  59  12.963  10.091   6.406
  468   2HB   ASN  59          HB3       ASN  59  13.387  11.797   6.433
  469   1HD2  ASN  59          HD22      ASN  59  11.766  13.187   7.065
  470   2HD2  ASN  59          HD21      ASN  59  10.063  12.831   6.962
  471    H    ALA  60           H        ALA  60  13.830  13.454   4.498
  472    HA   ALA  60           HA       ALA  60  11.465  14.662   3.473
  473   1HB   ALA  60          HB1       ALA  60  12.833  16.679   3.212
  474   2HB   ALA  60          HB2       ALA  60  13.140  15.893   4.773
  475   3HB   ALA  60          HB3       ALA  60  14.319  15.726   3.443
  476    H    ALA  61           H        ALA  61  14.425  13.601   1.786
  477    HA   ALA  61           HA       ALA  61  13.681  14.560  -0.806
  478   1HB   ALA  61          HB1       ALA  61  15.427  12.178  -0.030
  479   2HB   ALA  61          HB2       ALA  61  15.343  12.960  -1.618
  480   3HB   ALA  61          HB3       ALA  61  15.971  13.863  -0.219
  481    H    LYS  62           H        LYS  62  13.121  11.435   0.855
  482    HA   LYS  62           HA       LYS  62  11.797  10.111  -1.271
  483   1HB   LYS  62          HB2       LYS  62  12.675   8.888   0.575
  484   2HB   LYS  62          HB3       LYS  62  11.761   9.795   1.760
  485   1HG   LYS  62          HG2       LYS  62  10.169   8.302  -0.294
  486   2HG   LYS  62          HG3       LYS  62  11.068   7.340   0.889
  487   1HD   LYS  62          HD2       LYS  62   9.965   8.446   2.753
  488   2HD   LYS  62          HD3       LYS  62   9.127   9.557   1.653
  489   1HE   LYS  62          HE2       LYS  62   8.016   7.647   0.551
  490   2HE   LYS  62          HE3       LYS  62   8.809   6.525   1.665
  491   1HZ   LYS  62          HZ1       LYS  62   6.941   8.685   2.477
  492   2HZ   LYS  62          HZ2       LYS  62   6.563   7.056   2.309
  493   3HZ   LYS  62          HZ3       LYS  62   7.603   7.562   3.471
  494    H    GLU  63           H        GLU  63  10.437  12.079   1.463
  495    HA   GLU  63           HA       GLU  63   7.755  11.860   0.569
  496   1HB   GLU  63          HB2       GLU  63   9.177  14.020   2.180
  497   2HB   GLU  63          HB3       GLU  63   7.431  13.980   1.945
  498   1HG   GLU  63          HG2       GLU  63   9.020  11.724   3.244
  499   2HG   GLU  63          HG3       GLU  63   8.244  13.024   4.124
  500    H    ALA  64           H        ALA  64  10.328  14.110  -0.380
  501    HA   ALA  64           HA       ALA  64   8.687  15.894  -1.882
  502   1HB   ALA  64          HB1       ALA  64  10.946  16.450  -1.035
  503   2HB   ALA  64          HB2       ALA  64  11.653  15.261  -2.157
  504   3HB   ALA  64          HB3       ALA  64  10.826  16.694  -2.792
  505    H    LEU  65           H        LEU  65  10.550  12.954  -2.876
  506    HA   LEU  65           HA       LEU  65   9.617  13.413  -5.671
  507   1HB   LEU  65          HB2       LEU  65  11.975  11.845  -4.581
  508   2HB   LEU  65          HB3       LEU  65  11.503  11.891  -6.273
  509    HG   LEU  65           HG       LEU  65  12.473  14.255  -4.636
  510   1HD1  LEU  65          HD11      LEU  65  13.691  12.740  -6.990
  511   2HD1  LEU  65          HD12      LEU  65  14.393  14.172  -6.206
  512   3HD1  LEU  65          HD13      LEU  65  14.226  12.658  -5.303
  513   1HD2  LEU  65          HD21      LEU  65  11.590  14.152  -7.558
  514   2HD2  LEU  65          HD22      LEU  65  10.847  15.112  -6.255
  515   3HD2  LEU  65          HD23      LEU  65  12.472  15.499  -6.808
  516    H    GLN  66           H        GLN  66   8.730  11.301  -3.101
  517    HA   GLN  66           HA       GLN  66   8.311   8.981  -4.702
  518   1HB   GLN  66          HB2       GLN  66   8.078   9.207  -2.133
  519   2HB   GLN  66          HB3       GLN  66   6.444   9.800  -2.457
  520   1HG   GLN  66          HG2       GLN  66   6.139   7.589  -3.796
  521   2HG   GLN  66          HG3       GLN  66   7.710   7.105  -3.146
  522   1HE2  GLN  66          HE22      GLN  66   7.519   5.833  -1.259
  523   2HE2  GLN  66          HE21      GLN  66   6.244   5.992  -0.072
  524    H    GLY  67           H        GLY  67   6.990   8.622  -6.345
  525   1HA   GLY  67          HA2       GLY  67   5.060   8.731  -7.651
  526   2HA   GLY  67          HA3       GLY  67   4.518  10.176  -6.798
  527    H    PHE  68           H        PHE  68   7.771  10.775  -7.577
  528    HA   PHE  68           HA       PHE  68   7.061  12.774  -9.499
  529   1HB   PHE  68          HB2       PHE  68   8.936  12.997  -7.929
  530   2HB   PHE  68          HB3       PHE  68   9.738  11.597  -8.639
  531    HD1  PHE  68           HD1      PHE  68   8.850  15.163  -9.139
  532    HD2  PHE  68           HD2      PHE  68  10.969  11.755 -10.726
  533    HE1  PHE  68           HE1      PHE  68  10.083  16.650 -10.697
  534    HE2  PHE  68           HE2      PHE  68  12.188  13.246 -12.289
  535    HZ   PHE  68           HZ       PHE  68  11.754  15.695 -12.276
  536    H    LYS  69           H        LYS  69   6.752  12.506 -11.655
  537    HA   LYS  69           HA       LYS  69   7.326  10.027 -13.066
  538   1HB   LYS  69          HB2       LYS  69   6.271  12.738 -13.826
  539   2HB   LYS  69          HB3       LYS  69   7.160  11.863 -15.069
  540   1HG   LYS  69          HG2       LYS  69   4.884  11.322 -15.356
  541   2HG   LYS  69          HG3       LYS  69   5.743   9.896 -14.794
  542   1HD   LYS  69          HD2       LYS  69   4.901  10.406 -12.444
  543   2HD   LYS  69          HD3       LYS  69   3.846  11.629 -13.160
  544   1HE   LYS  69          HE2       LYS  69   3.947   8.681 -13.976
  545   2HE   LYS  69          HE3       LYS  69   2.821   9.332 -12.772
  546   1HZ   LYS  69          HZ1       LYS  69   2.866   9.967 -15.661
  547   2HZ   LYS  69          HZ2       LYS  69   1.686   9.226 -14.825
  548   3HZ   LYS  69          HZ3       LYS  69   1.959  10.811 -14.570
  549    H    ILE  70           H        ILE  70   9.347   9.333 -13.261
  550    HA   ILE  70           HA       ILE  70  11.646  11.152 -13.661
  551    HB   ILE  70           HB       ILE  70  11.365   8.158 -14.015
  552   1HG1  ILE  70          HG12      ILE  70  12.734   9.689 -11.764
  553   2HG1  ILE  70          HG13      ILE  70  11.079   9.098 -11.654
  554   1HG2  ILE  70          HG21      ILE  70  13.822   9.977 -13.939
  555   2HG2  ILE  70          HG22      ILE  70  13.871   8.205 -14.037
  556   3HG2  ILE  70          HG23      ILE  70  13.204   9.142 -15.376
  557   1HD1  ILE  70          HD11      ILE  70  12.578   7.538 -10.575
  558   2HD1  ILE  70          HD12      ILE  70  11.816   6.785 -11.981
  559   3HD1  ILE  70          HD13      ILE  70  13.515   7.320 -12.055
  560    H    THR  71           H        THR  71   9.469   8.944 -15.559
  561    HA   THR  71           HA       THR  71   9.631  10.795 -17.825
  562    HB   THR  71           HB       THR  71   9.471   8.799 -19.356
  563    HG1  THR  71           HG1      THR  71  10.054   6.804 -18.580
  564   1HG2  THR  71          HG21      THR  71  12.064   8.829 -17.745
  565   2HG2  THR  71          HG22      THR  71  11.848   8.240 -19.407
  566   3HG2  THR  71          HG23      THR  71  11.657   9.965 -19.050
  567    HA   PRO  72           HA       PRO  72   5.455  11.183 -17.608
  568   1HB   PRO  72          HB2       PRO  72   5.020   9.739 -20.232
  569   2HB   PRO  72          HB3       PRO  72   4.256  11.254 -19.645
  570   1HG   PRO  72          HG2       PRO  72   6.373  11.399 -21.310
  571   2HG   PRO  72          HG3       PRO  72   6.320  12.460 -19.863
  572   1HD   PRO  72          HD2       PRO  72   7.850   9.895 -20.269
  573   2HD   PRO  72          HD3       PRO  72   8.372  11.412 -19.476
  574    H    THR  73           H        THR  73   6.248   7.772 -18.134
  575    HA   THR  73           HA       THR  73   3.699   6.981 -16.839
  576    HB   THR  73           HB       THR  73   4.085   4.852 -18.260
  577    HG1  THR  73           HG1      THR  73   5.450   5.072 -19.991
  578   1HG2  THR  73          HG21      THR  73   2.367   6.568 -18.816
  579   2HG2  THR  73          HG22      THR  73   3.570   7.455 -19.776
  580   3HG2  THR  73          HG23      THR  73   3.067   5.821 -20.259
  581    H    HIS  74           H        HIS  74   6.685   7.493 -15.860
  582    HA   HIS  74           HA       HIS  74   6.812   5.009 -14.218
  583   1HB   HIS  74          HB2       HIS  74   9.117   6.366 -15.642
  584   2HB   HIS  74          HB3       HIS  74   9.272   5.161 -14.369
  585    HD1  HIS  74           HD1      HIS  74   9.051   2.627 -15.083
  586    HD2  HIS  74           HD2      HIS  74   8.003   5.440 -18.035
  587    HE1  HIS  74           HE1      HIS  74   8.643   1.306 -17.215
  588    H    ALA  75           H        ALA  75   5.554   6.310 -12.847
  589    HA   ALA  75           HA       ALA  75   6.646   8.593 -11.430
  590   1HB   ALA  75          HB1       ALA  75   4.495   6.556 -10.668
  591   2HB   ALA  75          HB2       ALA  75   4.861   8.053  -9.794
  592   3HB   ALA  75          HB3       ALA  75   4.221   8.133 -11.439
  593    H    MET  76           H        MET  76   8.492   8.384 -10.340
  594    HA   MET  76           HA       MET  76   9.850   6.175  -9.407
  595   1HB   MET  76          HB2       MET  76  10.654   8.532  -9.602
  596   2HB   MET  76          HB3       MET  76   9.673   8.986  -8.218
  597   1HG   MET  76          HG2       MET  76  10.952   7.316  -6.849
  598   2HG   MET  76          HG3       MET  76  12.006   7.041  -8.235
  599   1HE   MET  76          HE1       MET  76  12.310  10.106  -9.416
  600   2HE   MET  76          HE2       MET  76  13.780  10.594  -8.549
  601   3HE   MET  76          HE3       MET  76  13.664   8.964  -9.241
  602    H    LYS  77           H        LYS  77   8.987   4.560  -8.084
  603    HA   LYS  77           HA       LYS  77   7.418   5.398  -5.703
  604   1HB   LYS  77          HB2       LYS  77   6.603   3.500  -7.036
  605   2HB   LYS  77          HB3       LYS  77   8.136   2.657  -6.812
  606   1HG   LYS  77          HG2       LYS  77   7.783   2.484  -4.421
  607   2HG   LYS  77          HG3       LYS  77   6.362   3.535  -4.491
  608   1HD   LYS  77          HD2       LYS  77   6.546   0.810  -5.852
  609   2HD   LYS  77          HD3       LYS  77   5.853   1.085  -4.246
  610   1HE   LYS  77          HE2       LYS  77   4.181   2.645  -5.222
  611   2HE   LYS  77          HE3       LYS  77   4.850   2.360  -6.833
  612   1HZ   LYS  77          HZ1       LYS  77   4.208   0.026  -6.615
  613   2HZ   LYS  77          HZ2       LYS  77   3.569   0.300  -5.133
  614   3HZ   LYS  77          HZ3       LYS  77   2.913   0.996  -6.448
  615    H    ILE  78           H        ILE  78   8.377   5.123  -3.642
  616    HA   ILE  78           HA       ILE  78  11.286   4.556  -3.518
  617    HB   ILE  78           HB       ILE  78   9.973   6.959  -2.187
  618   1HG1  ILE  78          HG12      ILE  78  11.647   7.032  -4.724
  619   2HG1  ILE  78          HG13      ILE  78   9.935   7.411  -4.595
  620   1HG2  ILE  78          HG21      ILE  78  12.268   7.639  -1.655
  621   2HG2  ILE  78          HG22      ILE  78  12.022   6.008  -1.081
  622   3HG2  ILE  78          HG23      ILE  78  12.918   6.283  -2.586
  623   1HD1  ILE  78          HD11      ILE  78  10.538   9.272  -3.010
  624   2HD1  ILE  78          HD12      ILE  78  12.244   8.992  -3.424
  625   3HD1  ILE  78          HD13      ILE  78  11.102   9.472  -4.679
  626    H    THR  79           H        THR  79  11.794   3.509  -1.641
  627    HA   THR  79           HA       THR  79   9.894   3.352   0.616
  628    HB   THR  79           HB       THR  79  11.441   0.957  -0.482
  629    HG1  THR  79           HG1      THR  79  10.083   1.388  -2.123
  630   1HG2  THR  79          HG21      THR  79   8.916   1.140   1.215
  631   2HG2  THR  79          HG22      THR  79   9.750  -0.353   0.717
  632   3HG2  THR  79          HG23      THR  79  10.548   0.762   1.827
  633    H    PHE  80           H        PHE  80  11.192   2.917   2.652
  634    HA   PHE  80           HA       PHE  80  13.985   3.811   2.487
  635   1HB   PHE  80          HB2       PHE  80  12.321   2.677   4.770
  636   2HB   PHE  80          HB3       PHE  80  13.997   3.179   4.915
  637    HD1  PHE  80           HD1      PHE  80  10.564   4.318   4.946
  638    HD2  PHE  80           HD2      PHE  80  14.626   5.601   4.313
  639    HE1  PHE  80           HE1      PHE  80   9.873   6.670   5.292
  640    HE2  PHE  80           HE2      PHE  80  13.933   7.964   4.626
  641    HZ   PHE  80           HZ       PHE  80  11.537   8.490   5.118
  642    H    ALA  81           H        ALA  81  15.772   2.437   2.414
  643    HA   ALA  81           HA       ALA  81  15.319  -0.421   1.840
  644   1HB   ALA  81          HB1       ALA  81  17.891   1.158   2.288
  645   2HB   ALA  81          HB2       ALA  81  17.781  -0.513   1.710
  646   3HB   ALA  81          HB3       ALA  81  17.164   0.805   0.700
  647    H    LYS  82           H        LYS  82  16.175  -2.081   3.343
  648    HA   LYS  82           HA       LYS  82  16.082  -1.158   6.190
  649   1HB   LYS  82          HB2       LYS  82  15.000  -3.773   5.090
  650   2HB   LYS  82          HB3       LYS  82  15.009  -3.234   6.759
  651   1HG   LYS  82          HG2       LYS  82  12.882  -2.599   6.291
  652   2HG   LYS  82          HG3       LYS  82  13.693  -1.120   5.778
  653   1HD   LYS  82          HD2       LYS  82  12.014  -1.743   4.144
  654   2HD   LYS  82          HD3       LYS  82  13.599  -1.969   3.401
  655   1HE   LYS  82          HE2       LYS  82  13.467  -4.421   3.935
  656   2HE   LYS  82          HE3       LYS  82  11.860  -4.164   4.624
  657   1HZ   LYS  82          HZ1       LYS  82  11.815  -4.964   2.327
  658   2HZ   LYS  82          HZ2       LYS  82  11.061  -3.534   2.451
  659   3HZ   LYS  82          HZ3       LYS  82  12.569  -3.621   1.794
  660    H    LYS  83           H        LYS  83  18.088  -1.220   6.896
  661    HA   LYS  83           HA       LYS  83  20.233  -2.715   5.754
  662   1HB   LYS  83          HB2       LYS  83  19.954  -1.390   8.483
  663   2HB   LYS  83          HB3       LYS  83  21.469  -1.997   7.808
  664   1HG   LYS  83          HG2       LYS  83  21.368  -0.430   5.940
  665   2HG   LYS  83          HG3       LYS  83  19.777   0.142   6.434
  666   1HD   LYS  83          HD2       LYS  83  22.367   0.559   7.972
  667   2HD   LYS  83          HD3       LYS  83  21.476   1.752   7.015
  668   1HE   LYS  83          HE2       LYS  83  19.461   1.118   8.615
  669   2HE   LYS  83          HE3       LYS  83  20.735   0.499   9.676
  670   1HZ   LYS  83          HZ1       LYS  83  20.388   3.257   8.681
  671   2HZ   LYS  83          HZ2       LYS  83  20.258   2.759  10.231
  672   3HZ   LYS  83          HZ3       LYS  83  21.731   2.777   9.522
  Start of MODEL   20
    1   1H    ALA   1          H1        ALA   1  10.789  -8.047  -1.001
    2   2H    ALA   1          H2        ALA   1   9.200  -7.875  -0.652
    3   3H    ALA   1          H3        ALA   1   9.673  -8.910  -1.834
    4    HA   ALA   1           HA       ALA   1  10.499  -7.150  -3.180
    5   1HB   ALA   1          HB1       ALA   1   8.375  -6.038  -3.785
    6   2HB   ALA   1          HB2       ALA   1   8.188  -7.789  -3.598
    7   3HB   ALA   1          HB3       ALA   1   7.605  -6.697  -2.326
    8    H    GLN   2           H        GLN   2   8.361  -5.256  -0.955
    9    HA   GLN   2           HA       GLN   2  10.586  -3.659   0.015
   10   1HB   GLN   2          HB2       GLN   2   9.797  -1.550  -0.854
   11   2HB   GLN   2          HB3       GLN   2  10.109  -2.647  -2.193
   12   1HG   GLN   2          HG2       GLN   2   7.537  -3.152  -2.098
   13   2HG   GLN   2          HG3       GLN   2   7.441  -1.673  -1.139
   14   1HE2  GLN   2          HE22      GLN   2   9.192   0.120  -2.409
   15   2HE2  GLN   2          HE21      GLN   2   8.795   0.248  -4.110
   16    H    THR   3           H        THR   3   9.745  -2.111   1.724
   17    HA   THR   3           HA       THR   3   7.091  -2.797   2.814
   18    HB   THR   3           HB       THR   3   9.545  -2.962   4.605
   19    HG1  THR   3           HG1      THR   3   9.953  -4.542   3.113
   20   1HG2  THR   3          HG21      THR   3   7.309  -2.840   5.672
   21   2HG2  THR   3          HG22      THR   3   6.786  -4.266   4.755
   22   3HG2  THR   3          HG23      THR   3   8.079  -4.402   5.969
   23    H    GLU   4           H        GLU   4   6.276  -1.083   4.104
   24    HA   GLU   4           HA       GLU   4   7.693   1.494   4.016
   25   1HB   GLU   4          HB2       GLU   4   5.077   0.586   5.309
   26   2HB   GLU   4          HB3       GLU   4   5.724   2.231   5.404
   27   1HG   GLU   4          HG2       GLU   4   5.672   2.402   2.924
   28   2HG   GLU   4          HG3       GLU   4   4.985   0.779   2.824
   29    H    GLN   5           H        GLN   5   8.697   2.433   5.869
   30    HA   GLN   5           HA       GLN   5   8.963   0.890   8.358
   31   1HB   GLN   5          HB2       GLN   5  11.257   1.552   6.446
   32   2HB   GLN   5          HB3       GLN   5  11.512   1.103   8.117
   33   1HG   GLN   5          HG2       GLN   5  10.214  -0.721   6.049
   34   2HG   GLN   5          HG3       GLN   5  11.908  -0.721   6.485
   35   1HE2  GLN   5          HE22      GLN   5   8.636  -1.457   7.689
   36   2HE2  GLN   5          HE21      GLN   5   9.169  -2.446   9.040
   37    HA   PRO   6           HA       PRO   6   9.735   5.095   9.972
   38   1HB   PRO   6          HB2       PRO   6  12.160   3.846  11.269
   39   2HB   PRO   6          HB3       PRO   6  10.945   4.948  11.987
   40   1HG   PRO   6          HG2       PRO   6  10.855   2.289  12.507
   41   2HG   PRO   6          HG3       PRO   6   9.340   3.186  12.160
   42   1HD   PRO   6          HD2       PRO   6  10.976   1.462  10.287
   43   2HD   PRO   6          HD3       PRO   6   9.201   1.505  10.518
   44    HA   PRO   7           HA       PRO   7  12.726   6.866   7.214
   45   1HB   PRO   7          HB2       PRO   7  13.822   8.353   9.613
   46   2HB   PRO   7          HB3       PRO   7  13.482   8.978   7.971
   47   1HG   PRO   7          HG2       PRO   7  11.703   9.396   9.964
   48   2HG   PRO   7          HG3       PRO   7  11.120   8.884   8.346
   49   1HD   PRO   7          HD2       PRO   7  11.507   7.195  10.826
   50   2HD   PRO   7          HD3       PRO   7  10.169   7.182   9.636
   51    H    ASN   8           H        ASN   8  14.734   6.412   6.395
   52    HA   ASN   8           HA       ASN   8  16.953   5.506   8.092
   53   1HB   ASN   8          HB2       ASN   8  15.832   3.368   7.615
   54   2HB   ASN   8          HB3       ASN   8  15.679   3.801   5.910
   55   1HD2  ASN   8          HD22      ASN   8  16.947   2.243   4.955
   56   2HD2  ASN   8          HD21      ASN   8  18.675   2.085   5.249
   57    H    GLN   9           H        GLN   9  18.956   5.728   6.919
   58    HA   GLN   9           HA       GLN   9  18.912   7.932   5.041
   59   1HB   GLN   9          HB2       GLN   9  21.249   8.026   5.360
   60   2HB   GLN   9          HB3       GLN   9  20.519   7.708   6.926
   61   1HG   GLN   9          HG2       GLN   9  21.064   5.271   6.655
   62   2HG   GLN   9          HG3       GLN   9  21.884   5.646   5.130
   63   1HE2  GLN   9          HE22      GLN   9  23.533   7.659   5.429
   64   2HE2  GLN   9          HE21      GLN   9  24.588   7.473   6.817
   65    H    ILE  10           H        ILE  10  18.113   4.910   4.233
   66    HA   ILE  10           HA       ILE  10  19.383   5.116   1.598
   67    HB   ILE  10           HB       ILE  10  19.170   2.451   3.052
   68   1HG1  ILE  10          HG12      ILE  10  21.605   4.204   2.579
   69   2HG1  ILE  10          HG13      ILE  10  20.945   3.663   4.125
   70   1HG2  ILE  10          HG21      ILE  10  20.329   1.508   1.126
   71   2HG2  ILE  10          HG22      ILE  10  18.935   2.370   0.527
   72   3HG2  ILE  10          HG23      ILE  10  20.539   3.118   0.406
   73   1HD1  ILE  10          HD11      ILE  10  21.509   1.287   3.439
   74   2HD1  ILE  10          HD12      ILE  10  22.420   1.985   2.079
   75   3HD1  ILE  10          HD13      ILE  10  22.887   2.368   3.741
   76    H    LEU  11           H        LEU  11  17.958   4.568   0.003
   77    HA   LEU  11           HA       LEU  11  15.122   4.020   0.773
   78   1HB   LEU  11          HB2       LEU  11  16.172   5.826  -1.441
   79   2HB   LEU  11          HB3       LEU  11  14.484   5.508  -1.070
   80    HG   LEU  11           HG       LEU  11  16.437   6.991   0.747
   81   1HD1  LEU  11          HD11      LEU  11  15.891   8.267  -1.273
   82   2HD1  LEU  11          HD12      LEU  11  14.157   8.041  -0.970
   83   3HD1  LEU  11          HD13      LEU  11  15.143   8.993   0.157
   84   1HD2  LEU  11          HD21      LEU  11  14.336   7.595   2.006
   85   2HD2  LEU  11          HD22      LEU  11  13.459   6.398   1.032
   86   3HD2  LEU  11          HD23      LEU  11  14.789   5.891   2.103
   87    H    PHE  12           H        PHE  12  14.005   2.765  -0.727
   88    HA   PHE  12           HA       PHE  12  15.562   1.471  -2.915
   89   1HB   PHE  12          HB2       PHE  12  15.002  -0.208  -1.213
   90   2HB   PHE  12          HB3       PHE  12  13.325   0.331  -1.188
   91    HD1  PHE  12           HD1      PHE  12  11.759  -0.845  -2.534
   92    HD2  PHE  12           HD2      PHE  12  15.909  -0.833  -3.686
   93    HE1  PHE  12           HE1      PHE  12  11.284  -2.531  -4.292
   94    HE2  PHE  12           HE2      PHE  12  15.426  -2.480  -5.466
   95    HZ   PHE  12           HZ       PHE  12  13.113  -3.353  -5.764
   96    H    LEU  13           H        LEU  13  14.597   1.710  -4.879
   97    HA   LEU  13           HA       LEU  13  12.174   3.452  -5.017
   98   1HB   LEU  13          HB2       LEU  13  14.961   3.725  -6.144
   99   2HB   LEU  13          HB3       LEU  13  13.629   4.078  -7.216
  100    HG   LEU  13           HG       LEU  13  12.690   5.687  -5.545
  101   1HD1  LEU  13          HD11      LEU  13  14.316   6.592  -3.850
  102   2HD1  LEU  13          HD12      LEU  13  13.782   4.947  -3.488
  103   3HD1  LEU  13          HD13      LEU  13  15.387   5.214  -4.182
  104   1HD2  LEU  13          HD21      LEU  13  14.035   6.357  -7.526
  105   2HD2  LEU  13          HD22      LEU  13  14.274   7.433  -6.152
  106   3HD2  LEU  13          HD23      LEU  13  15.516   6.231  -6.548
  107    H    THR  14           H        THR  14  10.828   3.077  -6.715
  108    HA   THR  14           HA       THR  14  11.205   0.685  -8.415
  109    HB   THR  14           HB       THR  14   8.713   0.215  -7.503
  110    HG1  THR  14           HG1      THR  14  10.045   1.545  -5.385
  111   1HG2  THR  14          HG21      THR  14  11.301  -0.672  -6.224
  112   2HG2  THR  14          HG22      THR  14   9.711  -1.350  -5.793
  113   3HG2  THR  14          HG23      THR  14  10.310  -1.505  -7.444
  114    H    ASN  15           H        ASN  15   9.225   0.428  -9.852
  115    HA   ASN  15           HA       ASN  15   8.045   1.135 -11.575
  116   1HB   ASN  15          HB2       ASN  15   6.488   1.838  -9.725
  117   2HB   ASN  15          HB3       ASN  15   7.152   3.469  -9.853
  118   1HD2  ASN  15          HD22      ASN  15   5.747   4.772 -10.985
  119   2HD2  ASN  15          HD21      ASN  15   4.730   4.239 -12.319
  120    H    LEU  16           H        LEU  16  10.795   1.967 -11.414
  121    HA   LEU  16           HA       LEU  16  11.012   4.712 -12.389
  122   1HB   LEU  16          HB2       LEU  16  13.127   2.550 -12.395
  123   2HB   LEU  16          HB3       LEU  16  13.387   4.279 -12.421
  124    HG   LEU  16           HG       LEU  16  12.339   2.656 -10.072
  125   1HD1  LEU  16          HD11      LEU  16  14.972   4.121 -10.416
  126   2HD1  LEU  16          HD12      LEU  16  14.465   3.088  -9.057
  127   3HD1  LEU  16          HD13      LEU  16  14.746   2.382 -10.656
  128   1HD2  LEU  16          HD21      LEU  16  12.270   4.626  -8.761
  129   2HD2  LEU  16          HD22      LEU  16  13.117   5.585  -9.991
  130   3HD2  LEU  16          HD23      LEU  16  11.430   5.062 -10.224
  131    HA   PRO  17           HA       PRO  17  10.860   3.952 -16.798
  132   1HB   PRO  17          HB2       PRO  17  13.610   5.029 -17.130
  133   2HB   PRO  17          HB3       PRO  17  12.088   5.533 -17.910
  134   1HG   PRO  17          HG2       PRO  17  13.394   6.855 -15.822
  135   2HG   PRO  17          HG3       PRO  17  11.659   7.056 -16.211
  136   1HD   PRO  17          HD2       PRO  17  12.871   5.719 -13.922
  137   2HD   PRO  17          HD3       PRO  17  11.180   6.166 -14.188
  138    H    GLU  18           H        GLU  18  11.566   2.409 -18.324
  139    HA   GLU  18           HA       GLU  18  13.341   0.291 -17.502
  140   1HB   GLU  18          HB2       GLU  18  12.923  -0.604 -19.740
  141   2HB   GLU  18          HB3       GLU  18  11.420  -0.088 -18.979
  142   1HG   GLU  18          HG2       GLU  18  11.444   2.008 -20.310
  143   2HG   GLU  18          HG3       GLU  18  12.969   1.532 -21.054
  144    H    GLU  19           H        GLU  19  14.086   3.380 -18.440
  145    HA   GLU  19           HA       GLU  19  16.658   2.650 -19.578
  146   1HB   GLU  19          HB2       GLU  19  16.480   4.661 -20.970
  147   2HB   GLU  19          HB3       GLU  19  15.090   3.601 -21.211
  148   1HG   GLU  19          HG2       GLU  19  13.698   5.028 -19.768
  149   2HG   GLU  19          HG3       GLU  19  15.069   6.089 -19.448
  150    H    THR  20           H        THR  20  15.657   3.345 -16.683
  151    HA   THR  20           HA       THR  20  16.785   5.848 -15.940
  152    HB   THR  20           HB       THR  20  16.467   3.374 -14.185
  153    HG1  THR  20           HG1      THR  20  14.495   3.570 -14.973
  154   1HG2  THR  20          HG21      THR  20  16.185   6.368 -13.603
  155   2HG2  THR  20          HG22      THR  20  15.901   5.054 -12.446
  156   3HG2  THR  20          HG23      THR  20  17.536   5.338 -13.059
  157    H    ASN  21           H        ASN  21  18.809   6.305 -14.914
  158    HA   ASN  21           HA       ASN  21  20.937   4.288 -15.141
  159   1HB   ASN  21          HB2       ASN  21  20.953   5.492 -17.306
  160   2HB   ASN  21          HB3       ASN  21  20.976   7.044 -16.468
  161   1HD2  ASN  21          HD22      ASN  21  22.912   4.076 -17.108
  162   2HD2  ASN  21          HD21      ASN  21  24.441   4.810 -16.705
  163    H    GLU  22           H        GLU  22  22.815   4.948 -13.844
  164    HA   GLU  22           HA       GLU  22  22.376   5.916 -11.293
  165   1HB   GLU  22          HB2       GLU  22  24.326   4.625 -12.182
  166   2HB   GLU  22          HB3       GLU  22  24.908   6.088 -12.978
  167   1HG   GLU  22          HG2       GLU  22  25.086   7.176 -10.702
  168   2HG   GLU  22          HG3       GLU  22  24.613   5.630  -9.984
  169    H    MET  23           H        MET  23  23.368   7.764 -14.167
  170    HA   MET  23           HA       MET  23  23.916  10.205 -12.776
  171   1HB   MET  23          HB2       MET  23  23.182   9.698 -15.692
  172   2HB   MET  23          HB3       MET  23  23.773  11.237 -15.063
  173   1HG   MET  23          HG2       MET  23  25.315   8.615 -14.992
  174   2HG   MET  23          HG3       MET  23  25.551   9.918 -16.151
  175   1HE   MET  23          HE1       MET  23  27.878   8.568 -14.446
  176   2HE   MET  23          HE2       MET  23  28.140   9.862 -15.639
  177   3HE   MET  23          HE3       MET  23  28.831  10.003 -14.007
  178    H    MET  24           H        MET  24  20.911   8.860 -14.097
  179    HA   MET  24           HA       MET  24  19.460  11.341 -14.189
  180   1HB   MET  24          HB2       MET  24  18.444   8.478 -13.953
  181   2HB   MET  24          HB3       MET  24  17.414   9.890 -14.172
  182   1HG   MET  24          HG2       MET  24  19.639   9.117 -16.072
  183   2HG   MET  24          HG3       MET  24  17.948   8.630 -16.264
  184   1HE   MET  24          HE1       MET  24  19.680  10.071 -18.526
  185   2HE   MET  24          HE2       MET  24  17.987   9.567 -18.735
  186   3HE   MET  24          HE3       MET  24  18.483  11.219 -19.162
  187    H    LEU  25           H        LEU  25  19.515   8.645 -11.832
  188    HA   LEU  25           HA       LEU  25  17.786  10.064 -10.002
  189   1HB   LEU  25          HB2       LEU  25  19.671   7.740  -9.443
  190   2HB   LEU  25          HB3       LEU  25  18.429   8.351  -8.345
  191    HG   LEU  25           HG       LEU  25  18.077   6.894 -10.968
  192   1HD1  LEU  25          HD11      LEU  25  16.854   5.306  -9.537
  193   2HD1  LEU  25          HD12      LEU  25  18.512   5.554  -8.958
  194   3HD1  LEU  25          HD13      LEU  25  17.162   6.338  -8.119
  195   1HD2  LEU  25          HD21      LEU  25  15.566   7.146 -10.497
  196   2HD2  LEU  25          HD22      LEU  25  16.000   8.423  -9.326
  197   3HD2  LEU  25          HD23      LEU  25  16.375   8.613 -11.055
  198    H    SER  26           H        SER  26  21.359   9.817 -10.344
  199    HA   SER  26           HA       SER  26  21.949  11.048  -7.843
  200   1HB   SER  26          HB2       SER  26  23.529  11.165 -10.451
  201   2HB   SER  26          HB3       SER  26  24.139  11.565  -8.833
  202    HG   SER  26           HG       SER  26  23.304   9.067  -9.871
  203    H    MET  27           H        MET  27  21.405  12.450 -11.131
  204    HA   MET  27           HA       MET  27  21.742  15.151 -10.386
  205   1HB   MET  27          HB2       MET  27  21.708  14.313 -12.699
  206   2HB   MET  27          HB3       MET  27  20.019  13.838 -12.535
  207   1HG   MET  27          HG2       MET  27  20.224  15.900 -13.773
  208   2HG   MET  27          HG3       MET  27  19.321  16.125 -12.282
  209   1HE   MET  27          HE1       MET  27  23.322  15.996 -12.763
  210   2HE   MET  27          HE2       MET  27  22.666  16.786 -14.218
  211   3HE   MET  27          HE3       MET  27  23.628  17.720 -13.051
  212    H    LEU  28           H        LEU  28  18.813  13.028 -10.301
  213    HA   LEU  28           HA       LEU  28  17.055  15.162  -9.568
  214   1HB   LEU  28          HB2       LEU  28  16.802  12.149  -9.251
  215   2HB   LEU  28          HB3       LEU  28  15.523  13.275  -8.808
  216    HG   LEU  28           HG       LEU  28  16.681  13.009 -11.605
  217   1HD1  LEU  28          HD11      LEU  28  15.391  11.013 -10.887
  218   2HD1  LEU  28          HD12      LEU  28  14.007  12.061 -10.501
  219   3HD1  LEU  28          HD13      LEU  28  14.574  11.904 -12.178
  220   1HD2  LEU  28          HD21      LEU  28  15.823  15.264 -11.311
  221   2HD2  LEU  28          HD22      LEU  28  14.696  14.346 -12.295
  222   3HD2  LEU  28          HD23      LEU  28  14.327  14.640 -10.579
  223    H    PHE  29           H        PHE  29  18.591  12.647  -7.496
  224    HA   PHE  29           HA       PHE  29  17.369  13.910  -5.164
  225   1HB   PHE  29          HB2       PHE  29  19.270  11.579  -5.532
  226   2HB   PHE  29          HB3       PHE  29  18.842  12.222  -3.946
  227    HD1  PHE  29           HD1      PHE  29  16.885  11.650  -2.825
  228    HD2  PHE  29           HD2      PHE  29  17.282  10.718  -7.012
  229    HE1  PHE  29           HE1      PHE  29  14.789  10.332  -2.726
  230    HE2  PHE  29           HE2      PHE  29  15.198   9.404  -6.912
  231    HZ   PHE  29           HZ       PHE  29  13.934   9.217  -4.772
  232    H    ASN  30           H        ASN  30  20.584  14.280  -6.687
  233    HA   ASN  30           HA       ASN  30  21.944  15.104  -4.370
  234   1HB   ASN  30          HB2       ASN  30  23.088  14.453  -6.349
  235   2HB   ASN  30          HB3       ASN  30  22.429  15.841  -7.249
  236   1HD2  ASN  30          HD22      ASN  30  23.929  17.506  -7.464
  237   2HD2  ASN  30          HD21      ASN  30  25.197  17.851  -6.319
  238    H    GLN  31           H        GLN  31  19.458  16.853  -6.036
  239    HA   GLN  31           HA       GLN  31  20.231  19.507  -5.467
  240   1HB   GLN  31          HB2       GLN  31  17.936  20.097  -5.746
  241   2HB   GLN  31          HB3       GLN  31  18.313  18.832  -6.915
  242   1HG   GLN  31          HG2       GLN  31  17.255  17.157  -5.349
  243   2HG   GLN  31          HG3       GLN  31  16.806  18.483  -4.284
  244   1HE2  GLN  31          HE22      GLN  31  15.894  16.718  -7.098
  245   2HE2  GLN  31          HE21      GLN  31  14.499  17.697  -7.543
  246    H    PHE  32           H        PHE  32  19.127  16.925  -3.305
  247    HA   PHE  32           HA       PHE  32  18.454  18.805  -1.153
  248   1HB   PHE  32          HB2       PHE  32  18.625  15.781  -1.054
  249   2HB   PHE  32          HB3       PHE  32  17.824  16.838   0.101
  250    HD1  PHE  32           HD1      PHE  32  15.946  18.481  -1.094
  251    HD2  PHE  32           HD2      PHE  32  17.274  14.669  -2.601
  252    HE1  PHE  32           HE1      PHE  32  13.946  18.345  -2.560
  253    HE2  PHE  32           HE2      PHE  32  15.293  14.536  -4.048
  254    HZ   PHE  32           HZ       PHE  32  13.657  16.388  -4.090
  255    HA   PRO  33           HA       PRO  33  22.737  18.800   0.020
  256   1HB   PRO  33          HB2       PRO  33  22.679  20.207   2.367
  257   2HB   PRO  33          HB3       PRO  33  22.222  20.912   0.795
  258   1HG   PRO  33          HG2       PRO  33  20.369  19.737   2.891
  259   2HG   PRO  33          HG3       PRO  33  20.258  21.336   2.090
  260   1HD   PRO  33          HD2       PRO  33  18.856  19.171   1.198
  261   2HD   PRO  33          HD3       PRO  33  19.530  20.386   0.070
  262    H    GLY  34           H        GLY  34  21.454  16.285   0.541
  263   1HA   GLY  34          HA2       GLY  34  23.133  15.284   2.765
  264   2HA   GLY  34          HA3       GLY  34  21.394  14.932   2.783
  265    H    PHE  35           H        PHE  35  21.983  14.901  -0.503
  266    HA   PHE  35           HA       PHE  35  21.873  12.118  -0.787
  267   1HB   PHE  35          HB2       PHE  35  21.170  13.700  -2.481
  268   2HB   PHE  35          HB3       PHE  35  22.764  14.451  -2.509
  269    HD1  PHE  35           HD1      PHE  35  24.616  13.502  -3.770
  270    HD2  PHE  35           HD2      PHE  35  20.805  11.495  -3.583
  271    HE1  PHE  35           HE1      PHE  35  25.291  12.024  -5.649
  272    HE2  PHE  35           HE2      PHE  35  21.456  10.077  -5.483
  273    HZ   PHE  35           HZ       PHE  35  23.715  10.305  -6.497
  274    H    LYS  36           H        LYS  36  23.428  10.655  -1.408
  275    HA   LYS  36           HA       LYS  36  26.280  11.517  -1.438
  276   1HB   LYS  36          HB2       LYS  36  25.306   8.980  -0.085
  277   2HB   LYS  36          HB3       LYS  36  26.987   9.461  -0.340
  278   1HG   LYS  36          HG2       LYS  36  26.502  11.529   1.090
  279   2HG   LYS  36          HG3       LYS  36  24.961  10.773   1.502
  280   1HD   LYS  36          HD2       LYS  36  27.769   9.784   2.115
  281   2HD   LYS  36          HD3       LYS  36  26.517  10.270   3.272
  282   1HE   LYS  36          HE2       LYS  36  25.147   8.303   2.638
  283   2HE   LYS  36          HE3       LYS  36  26.323   7.868   1.396
  284   1HZ   LYS  36          HZ1       LYS  36  26.666   6.501   3.209
  285   2HZ   LYS  36          HZ2       LYS  36  27.952   7.511   3.179
  286   3HZ   LYS  36          HZ3       LYS  36  26.778   7.736   4.303
  287    H    GLU  37           H        GLU  37  23.986   8.753  -2.263
  288    HA   GLU  37           HA       GLU  37  25.434   8.456  -4.814
  289   1HB   GLU  37          HB2       GLU  37  26.900   7.434  -3.016
  290   2HB   GLU  37          HB3       GLU  37  25.585   6.356  -2.589
  291   1HG   GLU  37          HG2       GLU  37  27.361   5.285  -3.900
  292   2HG   GLU  37          HG3       GLU  37  25.807   5.168  -4.685
  293    H    VAL  38           H        VAL  38  24.592   6.507  -6.066
  294    HA   VAL  38           HA       VAL  38  22.033   5.430  -5.100
  295    HB   VAL  38           HB       VAL  38  20.806   5.704  -7.058
  296   1HG1  VAL  38          HG11      VAL  38  22.227   8.371  -6.863
  297   2HG1  VAL  38          HG12      VAL  38  20.564   8.060  -7.380
  298   3HG1  VAL  38          HG13      VAL  38  21.013   7.786  -5.699
  299   1HG2  VAL  38          HG21      VAL  38  23.221   6.787  -8.529
  300   2HG2  VAL  38          HG22      VAL  38  22.442   5.199  -8.790
  301   3HG2  VAL  38          HG23      VAL  38  21.564   6.673  -9.166
  302    H    ARG  39           H        ARG  39  21.438   3.424  -6.260
  303    HA   ARG  39           HA       ARG  39  23.673   2.032  -7.635
  304   1HB   ARG  39          HB2       ARG  39  23.829   1.352  -5.280
  305   2HB   ARG  39          HB3       ARG  39  22.118   0.932  -5.262
  306   1HG   ARG  39          HG2       ARG  39  22.543  -0.848  -6.975
  307   2HG   ARG  39          HG3       ARG  39  24.256  -0.402  -6.972
  308   1HD   ARG  39          HD2       ARG  39  23.984  -2.341  -5.576
  309   2HD   ARG  39          HD3       ARG  39  24.361  -0.959  -4.536
  310    HE   ARG  39           HE       ARG  39  21.503  -1.437  -4.865
  311   1HH1  ARG  39          HH21      ARG  39  24.353  -2.453  -3.016
  312   2HH1  ARG  39          HH22      ARG  39  23.457  -3.021  -1.659
  313   1HH2  ARG  39          HH11      ARG  39  20.284  -2.182  -3.031
  314   2HH2  ARG  39          HH12      ARG  39  21.104  -2.870  -1.680
  315    H    LEU  40           H        LEU  40  22.683   2.039  -9.592
  316    HA   LEU  40           HA       LEU  40  19.852   1.442  -9.985
  317   1HB   LEU  40          HB2       LEU  40  22.193   2.269 -11.623
  318   2HB   LEU  40          HB3       LEU  40  21.314   0.973 -12.384
  319    HG   LEU  40           HG       LEU  40  20.583   3.170 -13.140
  320   1HD1  LEU  40          HD11      LEU  40  18.377   1.714 -11.620
  321   2HD1  LEU  40          HD12      LEU  40  18.182   2.840 -12.964
  322   3HD1  LEU  40          HD13      LEU  40  19.009   1.306 -13.238
  323   1HD2  LEU  40          HD21      LEU  40  19.440   4.767 -11.776
  324   2HD2  LEU  40          HD22      LEU  40  19.446   3.684 -10.368
  325   3HD2  LEU  40          HD23      LEU  40  20.960   4.376 -10.972
  326    H    VAL  41           H        VAL  41  19.292  -0.435 -11.343
  327    HA   VAL  41           HA       VAL  41  21.008  -2.843 -10.906
  328    HB   VAL  41           HB       VAL  41  17.982  -2.760 -11.017
  329   1HG1  VAL  41          HG11      VAL  41  18.186  -5.145 -10.331
  330   2HG1  VAL  41          HG12      VAL  41  18.949  -4.859 -11.894
  331   3HG1  VAL  41          HG13      VAL  41  19.953  -5.023 -10.433
  332   1HG2  VAL  41          HG21      VAL  41  18.666  -1.818  -8.876
  333   2HG2  VAL  41          HG22      VAL  41  18.138  -3.476  -8.599
  334   3HG2  VAL  41          HG23      VAL  41  19.872  -3.104  -8.643
  335    HA   PRO  42           HA       PRO  42  20.736  -1.473 -15.228
  336   1HB   PRO  42          HB2       PRO  42  23.311  -1.938 -16.081
  337   2HB   PRO  42          HB3       PRO  42  22.875  -0.592 -14.994
  338   1HG   PRO  42          HG2       PRO  42  23.889  -3.345 -14.199
  339   2HG   PRO  42          HG3       PRO  42  24.551  -1.747 -13.716
  340   1HD   PRO  42          HD2       PRO  42  22.808  -3.081 -12.128
  341   2HD   PRO  42          HD3       PRO  42  22.704  -1.302 -12.313
  342    H    ASN  43           H        ASN  43  19.913  -4.034 -14.273
  343    HA   ASN  43           HA       ASN  43  19.817  -5.412 -16.818
  344   1HB   ASN  43          HB2       ASN  43  19.906  -7.625 -15.860
  345   2HB   ASN  43          HB3       ASN  43  21.362  -6.759 -15.401
  346   1HD2  ASN  43          HD22      ASN  43  21.778  -6.444 -13.160
  347   2HD2  ASN  43          HD21      ASN  43  20.707  -7.018 -11.910
  348    H    ARG  44           H        ARG  44  18.166  -3.803 -14.354
  349    HA   ARG  44           HA       ARG  44  15.607  -4.853 -15.438
  350   1HB   ARG  44          HB2       ARG  44  16.463  -4.664 -12.556
  351   2HB   ARG  44          HB3       ARG  44  14.853  -4.102 -12.957
  352   1HG   ARG  44          HG2       ARG  44  14.428  -6.317 -14.137
  353   2HG   ARG  44          HG3       ARG  44  15.979  -6.875 -13.493
  354   1HD   ARG  44          HD2       ARG  44  14.176  -7.658 -12.080
  355   2HD   ARG  44          HD3       ARG  44  15.133  -6.468 -11.177
  356    HE   ARG  44           HE       ARG  44  13.152  -4.919 -12.283
  357   1HH1  ARG  44          HH21      ARG  44  13.046  -7.843 -10.255
  358   2HH1  ARG  44          HH22      ARG  44  11.539  -7.436  -9.525
  359   1HH2  ARG  44          HH11      ARG  44  11.188  -4.385 -11.362
  360   2HH2  ARG  44          HH12      ARG  44  10.443  -5.420 -10.178
  361    H    HIS  45           H        HIS  45  17.339  -2.167 -13.881
  362    HA   HIS  45           HA       HIS  45  17.186   0.003 -13.887
  363   1HB   HIS  45          HB2       HIS  45  15.627  -0.253 -16.473
  364   2HB   HIS  45          HB3       HIS  45  16.362   1.213 -15.847
  365    HD1  HIS  45           HD1      HIS  45  18.915   1.583 -16.397
  366    HD2  HIS  45           HD2      HIS  45  17.393  -2.236 -17.325
  367    HE1  HIS  45           HE1      HIS  45  20.733   0.380 -17.715
  368    H    ASP  46           H        ASP  46  14.064  -1.635 -13.977
  369    HA   ASP  46           HA       ASP  46  12.495   0.706 -13.436
  370   1HB   ASP  46          HB2       ASP  46  10.651  -0.693 -13.386
  371   2HB   ASP  46          HB3       ASP  46  11.716  -1.445 -14.570
  372    H    ILE  47           H        ILE  47  14.615  -1.005 -11.441
  373    HA   ILE  47           HA       ILE  47  13.487   0.366  -9.136
  374    HB   ILE  47           HB       ILE  47  13.680  -1.360  -7.627
  375   1HG1  ILE  47          HG12      ILE  47  15.862  -2.273  -8.186
  376   2HG1  ILE  47          HG13      ILE  47  14.668  -3.509  -7.850
  377   1HG2  ILE  47          HG21      ILE  47  11.722  -1.626  -9.122
  378   2HG2  ILE  47          HG22      ILE  47  12.619  -2.796 -10.079
  379   3HG2  ILE  47          HG23      ILE  47  12.242  -3.154  -8.381
  380   1HD1  ILE  47          HD11      ILE  47  15.643  -2.746 -10.622
  381   2HD1  ILE  47          HD12      ILE  47  16.135  -4.157  -9.660
  382   3HD1  ILE  47          HD13      ILE  47  14.471  -4.026 -10.231
  383    H    ALA  48           H        ALA  48  15.124   0.799  -7.475
  384    HA   ALA  48           HA       ALA  48  17.971   0.599  -8.103
  385   1HB   ALA  48          HB1       ALA  48  17.243   2.533  -9.548
  386   2HB   ALA  48          HB2       ALA  48  16.617   3.332  -8.085
  387   3HB   ALA  48          HB3       ALA  48  18.351   3.009  -8.252
  388    H    PHE  49           H        PHE  49  19.145   2.007  -6.395
  389    HA   PHE  49           HA       PHE  49  17.557   2.376  -3.923
  390   1HB   PHE  49          HB2       PHE  49  20.375   1.236  -4.046
  391   2HB   PHE  49          HB3       PHE  49  19.521   1.675  -2.590
  392    HD1  PHE  49           HD1      PHE  49  18.346   0.045  -1.391
  393    HD2  PHE  49           HD2      PHE  49  19.245  -0.644  -5.565
  394    HE1  PHE  49           HE1      PHE  49  17.523  -2.294  -1.202
  395    HE2  PHE  49           HE2      PHE  49  18.354  -2.949  -5.387
  396    HZ   PHE  49           HZ       PHE  49  17.524  -3.790  -3.190
  397    H    VAL  50           H        VAL  50  18.429   4.108  -2.590
  398    HA   VAL  50           HA       VAL  50  20.459   5.898  -3.819
  399    HB   VAL  50           HB       VAL  50  17.697   6.696  -2.808
  400   1HG1  VAL  50          HG11      VAL  50  18.299   8.977  -3.566
  401   2HG1  VAL  50          HG12      VAL  50  19.293   8.416  -2.221
  402   3HG1  VAL  50          HG13      VAL  50  19.964   8.432  -3.859
  403   1HG2  VAL  50          HG21      VAL  50  18.829   6.769  -5.628
  404   2HG2  VAL  50          HG22      VAL  50  17.515   5.738  -5.033
  405   3HG2  VAL  50          HG23      VAL  50  17.283   7.486  -5.115
  406    H    GLU  51           H        GLU  51  21.703   6.982  -2.202
  407    HA   GLU  51           HA       GLU  51  21.189   6.208   0.622
  408   1HB   GLU  51          HB2       GLU  51  22.774   4.615  -0.221
  409   2HB   GLU  51          HB3       GLU  51  23.757   5.885  -0.979
  410   1HG   GLU  51          HG2       GLU  51  24.327   6.824   1.175
  411   2HG   GLU  51          HG3       GLU  51  23.253   5.715   2.023
  412    H    PHE  52           H        PHE  52  21.709   7.665   2.088
  413    HA   PHE  52           HA       PHE  52  22.496  10.411   1.280
  414   1HB   PHE  52          HB2       PHE  52  20.016   9.279   2.537
  415   2HB   PHE  52          HB3       PHE  52  20.616  10.746   3.252
  416    HD1  PHE  52           HD1      PHE  52  19.910   9.387  -0.203
  417    HD2  PHE  52           HD2      PHE  52  19.831  12.763   2.465
  418    HE1  PHE  52           HE1      PHE  52  18.936  10.787  -1.996
  419    HE2  PHE  52           HE2      PHE  52  18.801  14.150   0.689
  420    HZ   PHE  52           HZ       PHE  52  18.409  13.174  -1.565
  421    H    THR  53           H        THR  53  22.916  11.745   3.160
  422    HA   THR  53           HA       THR  53  24.868  10.666   4.976
  423    HB   THR  53           HB       THR  53  23.397  13.337   4.773
  424    HG1  THR  53           HG1      THR  53  24.641  12.932   2.990
  425   1HG2  THR  53          HG21      THR  53  24.254  13.177   7.014
  426   2HG2  THR  53          HG22      THR  53  25.834  12.600   6.435
  427   3HG2  THR  53          HG23      THR  53  25.299  14.268   6.093
  428    H    THR  54           H        THR  54  21.489  11.908   5.394
  429    HA   THR  54           HA       THR  54  21.382  10.574   8.032
  430    HB   THR  54           HB       THR  54  20.045  12.921   8.460
  431    HG1  THR  54           HG1      THR  54  21.392  14.579   7.709
  432   1HG2  THR  54          HG21      THR  54  21.723  11.958   9.941
  433   2HG2  THR  54          HG22      THR  54  23.024  12.447   8.836
  434   3HG2  THR  54          HG23      THR  54  22.049  13.677   9.679
  435    H    GLU  55           H        GLU  55  19.480  10.014   8.756
  436    HA   GLU  55           HA       GLU  55  17.631   8.934   6.925
  437   1HB   GLU  55          HB2       GLU  55  17.119   9.488   9.875
  438   2HB   GLU  55          HB3       GLU  55  16.372   8.235   8.878
  439   1HG   GLU  55          HG2       GLU  55  18.622   7.150   8.638
  440   2HG   GLU  55          HG3       GLU  55  19.304   8.356   9.722
  441    H    LEU  56           H        LEU  56  17.544  11.978   8.737
  442    HA   LEU  56           HA       LEU  56  14.801  12.628   8.124
  443   1HB   LEU  56          HB2       LEU  56  17.225  14.174   9.095
  444   2HB   LEU  56          HB3       LEU  56  15.798  15.041   8.559
  445    HG   LEU  56           HG       LEU  56  15.834  14.818  10.968
  446   1HD1  LEU  56          HD11      LEU  56  13.652  14.919   9.772
  447   2HD1  LEU  56          HD12      LEU  56  13.550  13.145   9.840
  448   3HD1  LEU  56          HD13      LEU  56  13.563  14.095  11.334
  449   1HD2  LEU  56          HD21      LEU  56  17.013  12.645  11.173
  450   2HD2  LEU  56          HD22      LEU  56  15.537  12.719  12.144
  451   3HD2  LEU  56          HD23      LEU  56  15.542  11.805  10.624
  452    H    GLN  57           H        GLN  57  17.894  13.049   6.383
  453    HA   GLN  57           HA       GLN  57  16.666  14.975   4.543
  454   1HB   GLN  57          HB2       GLN  57  19.426  13.691   4.542
  455   2HB   GLN  57          HB3       GLN  57  18.844  14.927   3.407
  456   1HG   GLN  57          HG2       GLN  57  18.274  16.326   5.535
  457   2HG   GLN  57          HG3       GLN  57  19.322  15.195   6.393
  458   1HE2  GLN  57          HE22      GLN  57  21.644  15.106   5.710
  459   2HE2  GLN  57          HE21      GLN  57  22.337  16.476   4.840
  460    H    SER  58           H        SER  58  17.557  11.445   4.482
  461    HA   SER  58           HA       SER  58  16.678  11.075   1.767
  462   1HB   SER  58          HB2       SER  58  16.256   8.696   2.604
  463   2HB   SER  58          HB3       SER  58  17.911   9.296   2.725
  464    HG   SER  58           HG       SER  58  16.719   8.241   4.646
  465    H    ASN  59           H        ASN  59  14.975  11.005   4.961
  466    HA   ASN  59           HA       ASN  59  12.407  10.430   3.961
  467   1HB   ASN  59          HB2       ASN  59  12.767  10.408   6.330
  468   2HB   ASN  59          HB3       ASN  59  13.293  12.083   6.342
  469   1HD2  ASN  59          HD22      ASN  59  11.765  13.604   6.899
  470   2HD2  ASN  59          HD21      ASN  59  10.042  13.345   6.822
  471    H    ALA  60           H        ALA  60  13.902  13.681   4.369
  472    HA   ALA  60           HA       ALA  60  11.710  15.105   3.277
  473   1HB   ALA  60          HB1       ALA  60  13.306  16.917   2.864
  474   2HB   ALA  60          HB2       ALA  60  13.581  16.189   4.459
  475   3HB   ALA  60          HB3       ALA  60  14.671  15.804   3.101
  476    H    ALA  61           H        ALA  61  14.522  13.665   1.602
  477    HA   ALA  61           HA       ALA  61  13.795  14.516  -1.011
  478   1HB   ALA  61          HB1       ALA  61  15.343  12.011  -0.219
  479   2HB   ALA  61          HB2       ALA  61  15.332  12.836  -1.791
  480   3HB   ALA  61          HB3       ALA  61  16.037  13.644  -0.378
  481    H    LYS  62           H        LYS  62  12.868  11.568   0.838
  482    HA   LYS  62           HA       LYS  62  11.402  10.282  -1.220
  483   1HB   LYS  62          HB2       LYS  62  11.919   9.075   0.809
  484   2HB   LYS  62          HB3       LYS  62  11.110  10.276   1.805
  485   1HG   LYS  62          HG2       LYS  62   8.920   9.661   0.692
  486   2HG   LYS  62          HG3       LYS  62   9.769   8.320  -0.088
  487   1HD   LYS  62          HD2       LYS  62  10.317   7.361   2.090
  488   2HD   LYS  62          HD3       LYS  62   9.666   8.775   2.931
  489   1HE   LYS  62          HE2       LYS  62   8.026   6.894   1.177
  490   2HE   LYS  62          HE3       LYS  62   8.142   6.803   2.945
  491   1HZ   LYS  62          HZ1       LYS  62   6.255   8.044   2.679
  492   2HZ   LYS  62          HZ2       LYS  62   7.323   9.296   2.748
  493   3HZ   LYS  62          HZ3       LYS  62   6.747   8.798   1.316
  494    H    GLU  63           H        GLU  63  10.244  12.583   1.343
  495    HA   GLU  63           HA       GLU  63   7.590  12.641   0.360
  496   1HB   GLU  63          HB2       GLU  63   9.116  14.835   1.835
  497   2HB   GLU  63          HB3       GLU  63   7.369  14.776   1.622
  498   1HG   GLU  63          HG2       GLU  63   9.072  12.862   3.254
  499   2HG   GLU  63          HG3       GLU  63   7.940  14.049   3.854
  500    H    ALA  64           H        ALA  64  10.438  14.501  -0.612
  501    HA   ALA  64           HA       ALA  64   9.073  16.389  -2.260
  502   1HB   ALA  64          HB1       ALA  64  11.343  16.704  -1.314
  503   2HB   ALA  64          HB2       ALA  64  11.944  15.393  -2.358
  504   3HB   ALA  64          HB3       ALA  64  11.330  16.893  -3.082
  505    H    LEU  65           H        LEU  65  10.558  13.179  -3.035
  506    HA   LEU  65           HA       LEU  65   9.815  13.635  -5.894
  507   1HB   LEU  65          HB2       LEU  65  12.023  11.953  -4.675
  508   2HB   LEU  65          HB3       LEU  65  11.609  11.982  -6.384
  509    HG   LEU  65           HG       LEU  65  12.668  14.338  -4.793
  510   1HD1  LEU  65          HD11      LEU  65  14.648  14.056  -6.276
  511   2HD1  LEU  65          HD12      LEU  65  14.351  12.623  -5.279
  512   3HD1  LEU  65          HD13      LEU  65  13.895  12.615  -6.991
  513   1HD2  LEU  65          HD21      LEU  65  11.942  14.148  -7.753
  514   2HD2  LEU  65          HD22      LEU  65  11.179  15.206  -6.543
  515   3HD2  LEU  65          HD23      LEU  65  12.853  15.478  -7.009
  516    H    GLN  66           H        GLN  66   8.663  11.724  -3.310
  517    HA   GLN  66           HA       GLN  66   7.923   9.404  -4.838
  518   1HB   GLN  66          HB2       GLN  66   6.676  10.815  -2.463
  519   2HB   GLN  66          HB3       GLN  66   5.759   9.586  -3.340
  520   1HG   GLN  66          HG2       GLN  66   7.652   7.971  -3.033
  521   2HG   GLN  66          HG3       GLN  66   8.436   9.137  -1.968
  522   1HE2  GLN  66          HE22      GLN  66   7.085   6.321  -1.497
  523   2HE2  GLN  66          HE21      GLN  66   5.926   6.637  -0.247
  524    H    GLY  67           H        GLY  67   6.654   9.174  -6.546
  525   1HA   GLY  67          HA2       GLY  67   4.872   9.494  -7.966
  526   2HA   GLY  67          HA3       GLY  67   4.433  10.993  -7.142
  527    H    PHE  68           H        PHE  68   7.770  11.221  -7.830
  528    HA   PHE  68           HA       PHE  68   7.292  13.288  -9.769
  529   1HB   PHE  68          HB2       PHE  68   9.118  13.344  -8.113
  530   2HB   PHE  68          HB3       PHE  68   9.843  11.905  -8.824
  531    HD1  PHE  68           HD1      PHE  68  11.115  12.015 -10.904
  532    HD2  PHE  68           HD2      PHE  68   9.216  15.531  -9.271
  533    HE1  PHE  68           HE1      PHE  68  12.427  13.448 -12.446
  534    HE2  PHE  68           HE2      PHE  68  10.550  16.958 -10.801
  535    HZ   PHE  68           HZ       PHE  68  12.155  15.919 -12.396
  536    H    LYS  69           H        LYS  69   7.019  13.012 -11.938
  537    HA   LYS  69           HA       LYS  69   7.471  10.479 -13.301
  538   1HB   LYS  69          HB2       LYS  69   6.611  13.236 -14.130
  539   2HB   LYS  69          HB3       LYS  69   7.527  12.320 -15.325
  540   1HG   LYS  69          HG2       LYS  69   5.267  11.870 -15.761
  541   2HG   LYS  69          HG3       LYS  69   6.000  10.412 -15.112
  542   1HD   LYS  69          HD2       LYS  69   5.032  11.024 -12.838
  543   2HD   LYS  69          HD3       LYS  69   4.116  12.303 -13.639
  544   1HE   LYS  69          HE2       LYS  69   4.051   9.344 -14.407
  545   2HE   LYS  69          HE3       LYS  69   2.902  10.094 -13.284
  546   1HZ   LYS  69          HZ1       LYS  69   2.269  11.600 -15.155
  547   2HZ   LYS  69          HZ2       LYS  69   3.172  10.666 -16.175
  548   3HZ   LYS  69          HZ3       LYS  69   1.891  10.036 -15.399
  549    H    ILE  70           H        ILE  70   9.442   9.650 -13.414
  550    HA   ILE  70           HA       ILE  70  11.866  11.312 -13.719
  551    HB   ILE  70           HB       ILE  70  11.419   8.337 -14.070
  552   1HG1  ILE  70          HG12      ILE  70  12.712   9.823 -11.743
  553   2HG1  ILE  70          HG13      ILE  70  11.039   9.264 -11.738
  554   1HG2  ILE  70          HG21      ILE  70  13.979   9.999 -13.858
  555   2HG2  ILE  70          HG22      ILE  70  13.918   8.228 -13.967
  556   3HG2  ILE  70          HG23      ILE  70  13.383   9.211 -15.330
  557   1HD1  ILE  70          HD11      ILE  70  11.768   6.933 -12.036
  558   2HD1  ILE  70          HD12      ILE  70  13.472   7.453 -11.947
  559   3HD1  ILE  70          HD13      ILE  70  12.398   7.668 -10.562
  560    H    THR  71           H        THR  71   9.651   9.253 -15.712
  561    HA   THR  71           HA       THR  71  10.058  11.067 -17.969
  562    HB   THR  71           HB       THR  71   9.909   9.116 -19.533
  563    HG1  THR  71           HG1      THR  71  10.546   7.089 -18.688
  564   1HG2  THR  71          HG21      THR  71  12.246   8.440 -19.441
  565   2HG2  THR  71          HG22      THR  71  12.124  10.157 -19.028
  566   3HG2  THR  71          HG23      THR  71  12.373   8.952 -17.746
  567    HA   PRO  72           HA       PRO  72   5.904  11.678 -17.981
  568   1HB   PRO  72          HB2       PRO  72   5.519  10.234 -20.613
  569   2HB   PRO  72          HB3       PRO  72   4.813  11.794 -20.075
  570   1HG   PRO  72          HG2       PRO  72   7.012  11.808 -21.634
  571   2HG   PRO  72          HG3       PRO  72   6.947  12.883 -20.197
  572   1HD   PRO  72          HD2       PRO  72   8.348  10.233 -20.512
  573   2HD   PRO  72          HD3       PRO  72   8.918  11.725 -19.706
  574    H    THR  73           H        THR  73   6.550   8.230 -18.394
  575    HA   THR  73           HA       THR  73   3.874   7.580 -17.300
  576    HB   THR  73           HB       THR  73   4.295   5.401 -18.641
  577    HG1  THR  73           HG1      THR  73   5.790   5.562 -20.286
  578   1HG2  THR  73          HG21      THR  73   4.004   7.990 -20.239
  579   2HG2  THR  73          HG22      THR  73   3.482   6.365 -20.735
  580   3HG2  THR  73          HG23      THR  73   2.694   7.164 -19.368
  581    H    HIS  74           H        HIS  74   6.778   7.997 -16.074
  582    HA   HIS  74           HA       HIS  74   6.695   5.525 -14.407
  583   1HB   HIS  74          HB2       HIS  74   9.172   6.785 -15.618
  584   2HB   HIS  74          HB3       HIS  74   9.117   5.451 -14.457
  585    HD1  HIS  74           HD1      HIS  74   8.728   6.142 -18.136
  586    HD2  HIS  74           HD2      HIS  74   8.070   3.052 -15.360
  587    HE1  HIS  74           HE1      HIS  74   8.346   4.015 -19.508
  588    H    ALA  75           H        ALA  75   5.420   6.945 -13.122
  589    HA   ALA  75           HA       ALA  75   6.612   9.148 -11.654
  590   1HB   ALA  75          HB1       ALA  75   4.161   8.883 -11.779
  591   2HB   ALA  75          HB2       ALA  75   4.272   7.297 -10.984
  592   3HB   ALA  75          HB3       ALA  75   4.716   8.771 -10.106
  593    H    MET  76           H        MET  76   8.413   8.779 -10.520
  594    HA   MET  76           HA       MET  76   9.557   6.472  -9.542
  595   1HB   MET  76          HB2       MET  76  10.516   8.784  -9.651
  596   2HB   MET  76          HB3       MET  76   9.508   9.262  -8.294
  597   1HG   MET  76          HG2       MET  76  10.637   7.527  -6.896
  598   2HG   MET  76          HG3       MET  76  11.711   7.167  -8.252
  599   1HE   MET  76          HE1       MET  76  13.700  10.648  -8.515
  600   2HE   MET  76          HE2       MET  76  13.538   9.029  -9.220
  601   3HE   MET  76          HE3       MET  76  12.235  10.229  -9.421
  602    H    LYS  77           H        LYS  77   8.982   4.998  -7.979
  603    HA   LYS  77           HA       LYS  77   7.213   5.902  -5.765
  604   1HB   LYS  77          HB2       LYS  77   6.458   3.979  -7.300
  605   2HB   LYS  77          HB3       LYS  77   7.820   3.052  -6.644
  606   1HG   LYS  77          HG2       LYS  77   6.897   3.364  -4.353
  607   2HG   LYS  77          HG3       LYS  77   5.600   4.366  -5.018
  608   1HD   LYS  77          HD2       LYS  77   4.681   2.208  -4.566
  609   2HD   LYS  77          HD3       LYS  77   4.789   2.367  -6.330
  610   1HE   LYS  77          HE2       LYS  77   6.870   1.033  -6.339
  611   2HE   LYS  77          HE3       LYS  77   6.880   1.001  -4.579
  612   1HZ   LYS  77          HZ1       LYS  77   6.044  -1.039  -5.298
  613   2HZ   LYS  77          HZ2       LYS  77   4.745  -0.248  -4.716
  614   3HZ   LYS  77          HZ3       LYS  77   4.946  -0.379  -6.337
  615    H    ILE  78           H        ILE  78   8.033   5.442  -3.652
  616    HA   ILE  78           HA       ILE  78  10.911   4.742  -3.440
  617    HB   ILE  78           HB       ILE  78   9.624   7.175  -2.153
  618   1HG1  ILE  78          HG12      ILE  78  11.501   7.141  -4.542
  619   2HG1  ILE  78          HG13      ILE  78   9.813   7.637  -4.553
  620   1HG2  ILE  78          HG21      ILE  78  11.871   7.791  -1.425
  621   2HG2  ILE  78          HG22      ILE  78  11.457   6.207  -0.821
  622   3HG2  ILE  78          HG23      ILE  78  12.539   6.354  -2.218
  623   1HD1  ILE  78          HD11      ILE  78  10.398   9.518  -3.014
  624   2HD1  ILE  78          HD12      ILE  78  12.116   9.096  -3.229
  625   3HD1  ILE  78          HD13      ILE  78  11.141   9.600  -4.610
  626    H    THR  79           H        THR  79  11.342   3.690  -1.558
  627    HA   THR  79           HA       THR  79   9.467   3.682   0.708
  628    HB   THR  79           HB       THR  79  10.290   1.100   0.797
  629    HG1  THR  79           HG1      THR  79  11.153   1.548  -1.490
  630   1HG2  THR  79          HG21      THR  79   8.116   0.409  -0.067
  631   2HG2  THR  79          HG22      THR  79   7.939   1.852   0.938
  632   3HG2  THR  79          HG23      THR  79   7.882   1.999  -0.834
  633    H    PHE  80           H        PHE  80  10.720   3.213   2.729
  634    HA   PHE  80           HA       PHE  80  13.536   3.996   2.539
  635   1HB   PHE  80          HB2       PHE  80  11.825   2.991   4.835
  636   2HB   PHE  80          HB3       PHE  80  13.525   3.406   4.988
  637    HD1  PHE  80           HD1      PHE  80  10.167   4.701   5.070
  638    HD2  PHE  80           HD2      PHE  80  14.265   5.796   4.297
  639    HE1  PHE  80           HE1      PHE  80   9.592   7.088   5.399
  640    HE2  PHE  80           HE2      PHE  80  13.681   8.191   4.589
  641    HZ   PHE  80           HZ       PHE  80  11.329   8.832   5.142
  642    H    ALA  81           H        ALA  81  15.256   2.622   2.422
  643    HA   ALA  81           HA       ALA  81  14.792  -0.280   2.066
  644   1HB   ALA  81          HB1       ALA  81  17.199  -0.353   1.586
  645   2HB   ALA  81          HB2       ALA  81  16.441   0.910   0.609
  646   3HB   ALA  81          HB3       ALA  81  17.369   1.345   2.063
  647    H    LYS  82           H        LYS  82  16.667  -1.547   3.415
  648    HA   LYS  82           HA       LYS  82  16.509  -0.662   6.270
  649   1HB   LYS  82          HB2       LYS  82  15.973  -3.445   5.143
  650   2HB   LYS  82          HB3       LYS  82  16.152  -3.050   6.857
  651   1HG   LYS  82          HG2       LYS  82  14.170  -1.577   6.756
  652   2HG   LYS  82          HG3       LYS  82  14.010  -1.875   5.023
  653   1HD   LYS  82          HD2       LYS  82  12.398  -3.250   6.104
  654   2HD   LYS  82          HD3       LYS  82  13.668  -4.312   5.483
  655   1HE   LYS  82          HE2       LYS  82  14.686  -4.386   7.771
  656   2HE   LYS  82          HE3       LYS  82  13.394  -3.331   8.362
  657   1HZ   LYS  82          HZ1       LYS  82  12.994  -6.050   7.251
  658   2HZ   LYS  82          HZ2       LYS  82  12.940  -5.654   8.829
  659   3HZ   LYS  82          HZ3       LYS  82  11.805  -5.075   7.816
  660    H    LYS  83           H        LYS  83  18.535  -0.421   6.999
  661    HA   LYS  83           HA       LYS  83  20.866  -1.519   5.648
  662   1HB   LYS  83          HB2       LYS  83  20.520  -0.174   8.367
  663   2HB   LYS  83          HB3       LYS  83  22.068  -0.715   7.701
  664   1HG   LYS  83          HG2       LYS  83  21.680   0.726   5.689
  665   2HG   LYS  83          HG3       LYS  83  20.238   1.387   6.456
  666   1HD   LYS  83          HD2       LYS  83  23.085   1.566   7.543
  667   2HD   LYS  83          HD3       LYS  83  22.242   2.851   6.668
  668   1HE   LYS  83          HE2       LYS  83  20.552   3.022   8.440
  669   2HE   LYS  83          HE3       LYS  83  21.277   1.664   9.307
  670   1HZ   LYS  83          HZ1       LYS  83  22.634   4.265   8.823
  671   2HZ   LYS  83          HZ2       LYS  83  21.969   3.780  10.235
  672   3HZ   LYS  83          HZ3       LYS  83  23.264   2.994   9.642