*HEADER    DNA BINDING PROTEIN                     19-SEP-10   2L3N              
*TITLE     SOLUTION STRUCTURE OF RAP1-TAZ1 FUSION PROTEIN                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DNA-BINDING PROTEIN RAP1, TELOMERE LENGTH REGULATOR TAZ1;  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 639-693, 362-395;                             
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 OTHER_DETAILS: THE FUSION PROTEIN OF DNA-BINDING PROTEIN RAP1 (639-  
*COMPND   7 693), LINKER (GGSGGSKLGGSGGS) AND TELOMERE LENGTH REGULATOR TAZ1     
*COMPND   8 (362-395)                                                            
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SCHIZOSACCHAROMYCES POMBE, SYNTHETIC;           
*SOURCE   3 ORGANISM_COMMON: FISSION YEAST, SYNTHETIC;                           
*SOURCE   4 ORGANISM_TAXID: 4896, 32630;                                         
*SOURCE   5 GENE: RAP1, TAZ1;                                                    
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET-28A-SUMO                               
*KEYWDS    RAP1, TAZ1, DNA BINDING PROTEIN                                       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    Z.R.ZHOU, F.WANG, Y.CHEN, M.LEI, H.HU                                 
*REVDAT   1   12-JAN-11 2L3N    0                                                


#
#  chirality for residue 1 atoms:  CA OG HB2 HB3
 &rst iat=5,10,8,9, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 150., rk3=150.,  &end
#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,12,6,7, &end
#
#  chirality for residue 2 atoms:  CA CG1 CG2 HB
 &rst iat=16,20,24,19, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=14,28,17,18, &end
#
#  chirality for residue 3 atoms:  CA OG HB2 HB3
 &rst iat=32,37,35,36, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=30,39,33,34, &end
#
#  chirality for residue 4 atoms:  CA CG2 CG1 HB
 &rst iat=43,47,51,46, &end
#
#  chirality for residue 4 atoms:  CB CD1 HG12 HG13
 &rst iat=45,54,52,53, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=41,58,44,45, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=62,67,65,66, &end
#
#  chirality for residue 5 atoms:  CB CD1 CD2 HG
 &rst iat=64,69,73,68, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=60,77,63,64, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=81,86,84,85, &end
#
#  chirality for residue 6 atoms:  CB CD HG2 HG3
 &rst iat=83,89,87,88, &end
#
#  chirality for residue 6 atoms:  CG NE HD2 HD3
 &rst iat=86,92,90,91, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=79,101,82,83, &end
#
#  chirality for residue 7 atoms:  CA OG HB2 HB3
 &rst iat=105,110,108,109, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=103,112,106,107, &end
#
#  chirality for residue 8 atoms:  CA OG HB2 HB3
 &rst iat=116,121,119,120, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=114,123,117,118, &end
#
#  chirality for residue 9 atoms:  CA CG1 CG2 HB
 &rst iat=127,131,135,130, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=125,139,128,129, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=143,148,146,147, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=141,153,144,145, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=157,162,160,161, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=155,170,158,159, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=174,179,177,178, &end
#
#  chirality for residue 12 atoms:  CB CD HG2 HG3
 &rst iat=176,182,180,181, &end
#
#  chirality for residue 12 atoms:  CG NE HD2 HD3
 &rst iat=179,185,183,184, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=172,194,175,176, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=198,203,201,202, &end
#
#  chirality for residue 13 atoms:  CB CD HG2 HG3
 &rst iat=200,206,204,205, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=196,209,199,200, &end
#
#  chirality for residue 14 atoms:  CA CG1 CG2 HB
 &rst iat=213,217,221,216, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=211,225,214,215, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=229,234,232,233, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=227,237,230,231, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=241,246,244,245, &end
#
#  chirality for residue 16 atoms:  CB CD HG2 HG3
 &rst iat=243,249,247,248, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=239,252,242,243, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=254,262,257,258, &end
#
#  chirality for residue 18 atoms:  CA CG2 CG1 HB
 &rst iat=266,270,274,269, &end
#
#  chirality for residue 18 atoms:  CB CD1 HG12 HG13
 &rst iat=268,277,275,276, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=264,281,267,268, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=285,290,288,289, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=283,293,286,287, &end
#
#  chirality for residue 20 atoms:  CA CG HB2 HB3
 &rst iat=297,302,300,301, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=295,307,298,299, &end
#
#  chirality for residue 21 atoms:  CA CG2 CG1 HB
 &rst iat=311,315,319,314, &end
#
#  chirality for residue 21 atoms:  CB CD1 HG12 HG13
 &rst iat=313,322,320,321, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=309,326,312,313, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=330,335,333,334, &end
#
#  chirality for residue 22 atoms:  CB CD1 CD2 HG
 &rst iat=332,337,341,336, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=328,345,331,332, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=349,354,352,353, &end
#
#  chirality for residue 23 atoms:  CB CD HG2 HG3
 &rst iat=351,357,355,356, &end
#
#  chirality for residue 23 atoms:  CG NE HD2 HD3
 &rst iat=354,360,358,359, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=347,369,350,351, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=373,378,376,377, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=371,390,374,375, &end
#
#  chirality for residue 25 atoms:  CA CG2 OG1 HB
 &rst iat=394,398,402,397, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=392,404,395,396, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=408,413,411,412, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=406,418,409,410, &end
#
#  chirality for residue 27 atoms:  CA OG HB2 HB3
 &rst iat=422,427,425,426, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=420,429,423,424, &end
#
#  chirality for residue 28 atoms:  CA CG2 OG1 HB
 &rst iat=433,437,441,436, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=431,443,434,435, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=447,452,450,451, &end
#
#  chirality for residue 29 atoms:  CB CD HG2 HG3
 &rst iat=449,455,453,454, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=445,458,448,449, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=462,467,465,466, &end
#
#  chirality for residue 30 atoms:  CB CD HG2 HG3
 &rst iat=464,470,468,469, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=460,475,463,464, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=479,484,482,483, &end
#
#  chirality for residue 31 atoms:  CB CD HG2 HG3
 &rst iat=481,487,485,486, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=477,492,480,481, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=496,501,499,500, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=494,512,497,498, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=516,521,519,520, &end
#
#  chirality for residue 33 atoms:  CB CD1 CD2 HG
 &rst iat=518,523,527,522, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=514,531,517,518, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=535,540,538,539, &end
#
#  chirality for residue 34 atoms:  CB CD HG2 HG3
 &rst iat=537,543,541,542, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=533,546,536,537, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=548,556,551,552, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=560,565,563,564, &end
#
#  chirality for residue 36 atoms:  CB SD HG2 HG3
 &rst iat=562,568,566,567, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=558,573,561,562, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=577,582,580,581, &end
#
#  chirality for residue 37 atoms:  CB CD HG2 HG3
 &rst iat=579,585,583,584, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=575,588,578,579, &end
#
#  chirality for residue 38 atoms:  CA OG HB2 HB3
 &rst iat=592,597,595,596, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=590,599,593,594, &end
#
#  chirality for residue 39 atoms:  CA CG2 OG1 HB
 &rst iat=603,607,611,606, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=601,613,604,605, &end
#
#  chirality for residue 40 atoms:  N C HA2 HA3
 &rst iat=615,620,618,619, &end
#
#  chirality for residue 41 atoms:  N C HA2 HA3
 &rst iat=622,627,625,626, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=631,636,634,635, &end
#
#  chirality for residue 42 atoms:  CB CD HG2 HG3
 &rst iat=633,639,637,638, &end
#
#  chirality for residue 42 atoms:  CG NE HD2 HD3
 &rst iat=636,642,640,641, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=629,651,632,633, &end
#
#  chirality for residue 43 atoms:  CA CG1 CG2 HB
 &rst iat=655,659,663,658, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=653,667,656,657, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=671,676,674,675, &end
#
#  chirality for residue 44 atoms:  CB CD HG2 HG3
 &rst iat=673,679,677,678, &end
#
#  chirality for residue 44 atoms:  CG NE HD2 HD3
 &rst iat=676,682,680,681, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=669,691,672,673, &end
#
#  chirality for residue 45 atoms:  CA CG2 CG1 HB
 &rst iat=695,699,703,698, &end
#
#  chirality for residue 45 atoms:  CB CD1 HG12 HG13
 &rst iat=697,706,704,705, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=693,710,696,697, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=712,720,715,716, &end
#
#  chirality for residue 47 atoms:  CA CG2 CG1 HB
 &rst iat=724,728,732,727, &end
#
#  chirality for residue 47 atoms:  CB CD1 HG12 HG13
 &rst iat=726,735,733,734, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=722,739,725,726, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=741,749,744,745, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=753,758,756,757, &end
#
#  chirality for residue 49 atoms:  CB CD HG2 HG3
 &rst iat=755,761,759,760, &end
#
#  chirality for residue 49 atoms:  CD NZ HE2 HE3
 &rst iat=761,767,765,766, &end
#
#  chirality for residue 49 atoms:  CG CE HD2 HD3
 &rst iat=758,764,762,763, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=751,771,754,755, &end
#
#  chirality for residue 50 atoms:  CA CG HB2 HB3
 &rst iat=775,780,778,779, &end
#
#  chirality for residue 50 atoms:  CB CD1 CD2 HG
 &rst iat=777,782,786,781, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=773,790,776,777, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=794,799,797,798, &end
#
#  chirality for residue 51 atoms:  CB CD1 CD2 HG
 &rst iat=796,801,805,800, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=792,809,795,796, &end
#
#  chirality for residue 52 atoms:  CA OG HB2 HB3
 &rst iat=813,818,816,817, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=811,820,814,815, &end
#
#  chirality for residue 53 atoms:  CA CG HB2 HB3
 &rst iat=824,829,827,828, &end
#
#  chirality for residue 53 atoms:  CB CD HG2 HG3
 &rst iat=826,832,830,831, &end
#
#  chirality for residue 53 atoms:  CD NZ HE2 HE3
 &rst iat=832,838,836,837, &end
#
#  chirality for residue 53 atoms:  CG CE HD2 HD3
 &rst iat=829,835,833,834, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=822,842,825,826, &end
#
#  chirality for residue 54 atoms:  CA CG HB2 HB3
 &rst iat=846,851,849,850, &end
#
#  chirality for residue 54 atoms:  CB CD HG2 HG3
 &rst iat=848,854,852,853, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=844,859,847,848, &end
#
#  chirality for residue 55 atoms:  CA CG2 OG1 HB
 &rst iat=863,867,871,866, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=861,873,864,865, &end
#
#  chirality for residue 56 atoms:  CA OG HB2 HB3
 &rst iat=877,882,880,881, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=875,884,878,879, &end
#
#  chirality for residue 57 atoms:  N C HA2 HA3
 &rst iat=886,891,889,890, &end
#
#  chirality for residue 58 atoms:  N C HA2 HA3
 &rst iat=893,898,896,897, &end
#
#  chirality for residue 59 atoms:  CA OG HB2 HB3
 &rst iat=902,907,905,906, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=900,909,903,904, &end
#
#  chirality for residue 60 atoms:  N C HA2 HA3
 &rst iat=911,916,914,915, &end
#
#  chirality for residue 61 atoms:  N C HA2 HA3
 &rst iat=918,923,921,922, &end
#
#  chirality for residue 62 atoms:  CA OG HB2 HB3
 &rst iat=927,932,930,931, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=925,934,928,929, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=938,943,941,942, &end
#
#  chirality for residue 63 atoms:  CB CD HG2 HG3
 &rst iat=940,946,944,945, &end
#
#  chirality for residue 63 atoms:  CD NZ HE2 HE3
 &rst iat=946,952,950,951, &end
#
#  chirality for residue 63 atoms:  CG CE HD2 HD3
 &rst iat=943,949,947,948, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=936,956,939,940, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=960,965,963,964, &end
#
#  chirality for residue 64 atoms:  CB CD1 CD2 HG
 &rst iat=962,967,971,966, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=958,975,961,962, &end
#
#  chirality for residue 65 atoms:  N C HA2 HA3
 &rst iat=977,982,980,981, &end
#
#  chirality for residue 66 atoms:  N C HA2 HA3
 &rst iat=984,989,987,988, &end
#
#  chirality for residue 67 atoms:  CA OG HB2 HB3
 &rst iat=993,998,996,997, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=991,1000,994,995, &end
#
#  chirality for residue 68 atoms:  N C HA2 HA3
 &rst iat=1002,1007,1005,1006, &end
#
#  chirality for residue 69 atoms:  N C HA2 HA3
 &rst iat=1009,1014,1012,1013, &end
#
#  chirality for residue 70 atoms:  CA OG HB2 HB3
 &rst iat=1018,1023,1021,1022, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1016,1025,1019,1020, &end
#
#  chirality for residue 71 atoms:  CA CG HB2 HB3
 &rst iat=1029,1034,1032,1033, &end
#
#  chirality for residue 71 atoms:  CB CD HG2 HG3
 &rst iat=1031,1037,1035,1036, &end
#
#  chirality for residue 71 atoms:  CG NE HD2 HD3
 &rst iat=1034,1040,1038,1039, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1027,1049,1030,1031, &end
#
#  chirality for residue 72 atoms:  CA CG HB2 HB3
 &rst iat=1053,1058,1056,1057, &end
#
#  chirality for residue 72 atoms:  CB CD HG2 HG3
 &rst iat=1055,1061,1059,1060, &end
#
#  chirality for residue 72 atoms:  CD NZ HE2 HE3
 &rst iat=1061,1067,1065,1066, &end
#
#  chirality for residue 72 atoms:  CG CE HD2 HD3
 &rst iat=1058,1064,1062,1063, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1051,1071,1054,1055, &end
#
#  chirality for residue 73 atoms:  CA CG HB2 HB3
 &rst iat=1075,1080,1078,1079, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1073,1083,1076,1077, &end
#
#  chirality for residue 74 atoms:  CA CG HB2 HB3
 &rst iat=1087,1092,1090,1091, &end
#
#  chirality for residue 74 atoms:  CB CD1 CD2 HG
 &rst iat=1089,1094,1098,1093, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1085,1102,1088,1089, &end
#
#  chirality for residue 75 atoms:  CA OG HB2 HB3
 &rst iat=1106,1111,1109,1110, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1104,1113,1107,1108, &end
#
#  chirality for residue 76 atoms:  CA CG1 CG2 HB
 &rst iat=1117,1121,1125,1120, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1115,1129,1118,1119, &end
#
#  chirality for residue 77 atoms:  CA CG HB2 HB3
 &rst iat=1133,1138,1136,1137, &end
#
#  chirality for residue 77 atoms:  CB CD HG2 HG3
 &rst iat=1135,1141,1139,1140, &end
#
#  chirality for residue 77 atoms:  CD NZ HE2 HE3
 &rst iat=1141,1147,1145,1146, &end
#
#  chirality for residue 77 atoms:  CG CE HD2 HD3
 &rst iat=1138,1144,1142,1143, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1131,1151,1134,1135, &end
#
#  chirality for residue 78 atoms:  N C HA2 HA3
 &rst iat=1153,1158,1156,1157, &end
#
#  chirality for residue 79 atoms:  CA CG HB2 HB3
 &rst iat=1162,1167,1165,1166, &end
#
#  chirality for residue 79 atoms:  CB SD HG2 HG3
 &rst iat=1164,1170,1168,1169, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1160,1175,1163,1164, &end
#
#  chirality for residue 80 atoms:  CA CG HB2 HB3
 &rst iat=1179,1184,1182,1183, &end
#
#  chirality for residue 80 atoms:  CB CD1 CD2 HG
 &rst iat=1181,1186,1190,1185, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1177,1194,1180,1181, &end
#
#  chirality for residue 81 atoms:  CA CG HB2 HB3
 &rst iat=1198,1203,1201,1202, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1196,1215,1199,1200, &end
#
#  chirality for residue 82 atoms:  CA CG HB2 HB3
 &rst iat=1219,1224,1222,1223, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1217,1227,1220,1221, &end
#
#  chirality for residue 83 atoms:  CA OG HB2 HB3
 &rst iat=1231,1236,1234,1235, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1229,1238,1232,1233, &end
#
#  chirality for residue 84 atoms:  CA CG HB2 HB3
 &rst iat=1242,1247,1245,1246, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1240,1250,1243,1244, &end
#
#  chirality for residue 85 atoms:  CA OG HB2 HB3
 &rst iat=1254,1259,1257,1258, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1252,1261,1255,1256, &end
#
#  chirality for residue 86 atoms:  CA CG HB2 HB3
 &rst iat=1265,1270,1268,1269, &end
#
#  chirality for residue 86 atoms:  CB CD HG2 HG3
 &rst iat=1267,1273,1271,1272, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1263,1278,1266,1267, &end
#
#  chirality for residue 87 atoms:  CA CG HB2 HB3
 &rst iat=1282,1287,1285,1286, &end
#
#  chirality for residue 87 atoms:  CB CD HG2 HG3
 &rst iat=1284,1290,1288,1289, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1280,1295,1283,1284, &end
#
#  chirality for residue 88 atoms:  CA CG2 CG1 HB
 &rst iat=1299,1303,1307,1302, &end
#
#  chirality for residue 88 atoms:  CB CD1 HG12 HG13
 &rst iat=1301,1310,1308,1309, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1297,1314,1300,1301, &end
#
#  chirality for residue 89 atoms:  CA CG HB2 HB3
 &rst iat=1318,1323,1321,1322, &end
#
#  chirality for residue 89 atoms:  CB CD1 CD2 HG
 &rst iat=1320,1325,1329,1324, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1316,1333,1319,1320, &end
#
#  chirality for residue 90 atoms:  CA CG HB2 HB3
 &rst iat=1337,1342,1340,1341, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1335,1347,1338,1339, &end
#
#  chirality for residue 91 atoms:  CA CG HB2 HB3
 &rst iat=1351,1356,1354,1355, &end
#
#  chirality for residue 91 atoms:  CB CD HG2 HG3
 &rst iat=1353,1359,1357,1358, &end
#
#  chirality for residue 91 atoms:  CG NE HD2 HD3
 &rst iat=1356,1362,1360,1361, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1349,1371,1352,1353, &end
#
#  chirality for residue 92 atoms:  CA CG HB2 HB3
 &rst iat=1375,1380,1378,1379, &end
#
#  chirality for residue 92 atoms:  CB CD1 CD2 HG
 &rst iat=1377,1382,1386,1381, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1373,1390,1376,1377, &end
#
#  chirality for residue 93 atoms:  CA CG HB2 HB3
 &rst iat=1394,1399,1397,1398, &end
#
#  chirality for residue 93 atoms:  CB CD HG2 HG3
 &rst iat=1396,1402,1400,1401, &end
#
#  chirality for residue 93 atoms:  CG NE HD2 HD3
 &rst iat=1399,1405,1403,1404, &end
#
#  chirality for residue 93 atoms:  N C HA CB
 &rst iat=1392,1414,1395,1396, &end
#
#  chirality for residue 94 atoms:  CA CG HB2 HB3
 &rst iat=1418,1423,1421,1422, &end
#
#  chirality for residue 94 atoms:  CB CD HG2 HG3
 &rst iat=1420,1426,1424,1425, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1416,1429,1419,1420, &end
#
#  chirality for residue 95 atoms:  CA CG HB2 HB3
 &rst iat=1433,1438,1436,1437, &end
#
#  chirality for residue 95 atoms:  CB CD HG2 HG3
 &rst iat=1435,1441,1439,1440, &end
#
#  chirality for residue 95 atoms:  CG NE HD2 HD3
 &rst iat=1438,1444,1442,1443, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1431,1453,1434,1435, &end
#
#  chirality for residue 96 atoms:  CA CG1 CG2 HB
 &rst iat=1457,1461,1465,1460, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1455,1469,1458,1459, &end
#
#  chirality for residue 97 atoms:  CA OG HB2 HB3
 &rst iat=1473,1478,1476,1477, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1471,1480,1474,1475, &end
#
#  chirality for residue 98 atoms:  N C HA2 HA3
 &rst iat=1482,1487,1485,1486, &end
#
#  chirality for residue 99 atoms:  CA OG HB2 HB3
 &rst iat=1491,1496,1494,1495, &end
#
#  chirality for residue 99 atoms:  N C HA CB
 &rst iat=1489,1498,1492,1493, &end
#
#  chirality for residue 100 atoms:  CA CG2 OG1 HB
 &rst iat=1502,1506,1510,1505, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1500,1512,1503,1504, &end
#
#  chirality for residue 101 atoms:  N C HA CB
 &rst iat=1514,1522,1517,1518, &end
#
#  chirality for residue 102 atoms:  CA CG HB2 HB3
 &rst iat=1526,1531,1529,1530, &end
#
#  chirality for residue 102 atoms:  CB CD HG2 HG3
 &rst iat=1528,1534,1532,1533, &end
#
#  chirality for residue 102 atoms:  N C HA CB
 &rst iat=1524,1539,1527,1528, &end
#
#  chirality for residue 103 atoms:  CA OG HB2 HB3
 &rst iat=1543,1548,1546,1547, &end
#
#  chirality for residue 103 atoms:  N C HA CB
 &rst iat=1541,1550,1544,1545, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=1552,1560,1555,1556, &end
#
#  trans-omega constraint for residue 2
 &rst iat=16,14,12,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=32,30,28,16, &end
#
#  trans-omega constraint for residue 4
 &rst iat=43,41,39,32, &end
#
#  trans-omega constraint for residue 5
 &rst iat=62,60,58,43, &end
#
#  trans-omega constraint for residue 6
 &rst iat=81,79,77,62, &end
#
#  trans-omega constraint for residue 7
 &rst iat=105,103,101,81, &end
#
#  trans-omega constraint for residue 8
 &rst iat=116,114,112,105, &end
#
#  trans-omega constraint for residue 9
 &rst iat=127,125,123,116, &end
#
#  trans-omega constraint for residue 10
 &rst iat=143,141,139,127, &end
#
#  trans-omega constraint for residue 11
 &rst iat=157,155,153,143, &end
#
#  trans-omega constraint for residue 12
 &rst iat=174,172,170,157, &end
#
#  trans-omega constraint for residue 13
 &rst iat=198,196,194,174, &end
#
#  trans-omega constraint for residue 14
 &rst iat=213,211,209,198, &end
#
#  trans-omega constraint for residue 15
 &rst iat=229,227,225,213, &end
#
#  trans-omega constraint for residue 16
 &rst iat=241,239,237,229, &end
#
#  trans-omega constraint for residue 17
 &rst iat=256,254,252,241, &end
#
#  trans-omega constraint for residue 18
 &rst iat=266,264,262,256, &end
#
#  trans-omega constraint for residue 19
 &rst iat=285,283,281,266, &end
#
#  trans-omega constraint for residue 20
 &rst iat=297,295,293,285, &end
#
#  trans-omega constraint for residue 21
 &rst iat=311,309,307,297, &end
#
#  trans-omega constraint for residue 22
 &rst iat=330,328,326,311, &end
#
#  trans-omega constraint for residue 23
 &rst iat=349,347,345,330, &end
#
#  trans-omega constraint for residue 24
 &rst iat=373,371,369,349, &end
#
#  trans-omega constraint for residue 25
 &rst iat=394,392,390,373, &end
#
#  trans-omega constraint for residue 26
 &rst iat=408,406,404,394, &end
#
#  trans-omega constraint for residue 27
 &rst iat=422,420,418,408, &end
#
#  trans-omega constraint for residue 28
 &rst iat=433,431,429,422, &end
#
#  trans-omega constraint for residue 29
 &rst iat=447,445,443,433, &end
#
#  trans-omega constraint for residue 30
 &rst iat=462,460,458,447, &end
#
#  trans-omega constraint for residue 31
 &rst iat=479,477,475,462, &end
#
#  trans-omega constraint for residue 32
 &rst iat=496,494,492,479, &end
#
#  trans-omega constraint for residue 33
 &rst iat=516,514,512,496, &end
#
#  trans-omega constraint for residue 34
 &rst iat=535,533,531,516, &end
#
#  trans-omega constraint for residue 35
 &rst iat=550,548,546,535, &end
#
#  trans-omega constraint for residue 36
 &rst iat=560,558,556,550, &end
#
#  trans-omega constraint for residue 37
 &rst iat=577,575,573,560, &end
#
#  trans-omega constraint for residue 38
 &rst iat=592,590,588,577, &end
#
#  trans-omega constraint for residue 39
 &rst iat=603,601,599,592, &end
#
#  trans-omega constraint for residue 40
 &rst iat=617,615,613,603, &end
#
#  trans-omega constraint for residue 41
 &rst iat=624,622,620,617, &end
#
#  trans-omega constraint for residue 42
 &rst iat=631,629,627,624, &end
#
#  trans-omega constraint for residue 43
 &rst iat=655,653,651,631, &end
#
#  trans-omega constraint for residue 44
 &rst iat=671,669,667,655, &end
#
#  trans-omega constraint for residue 45
 &rst iat=695,693,691,671, &end
#
#  trans-omega constraint for residue 46
 &rst iat=714,712,710,695, &end
#
#  trans-omega constraint for residue 47
 &rst iat=724,722,720,714, &end
#
#  trans-omega constraint for residue 48
 &rst iat=743,741,739,724, &end
#
#  trans-omega constraint for residue 49
 &rst iat=753,751,749,743, &end
#
#  trans-omega constraint for residue 50
 &rst iat=775,773,771,753, &end
#
#  trans-omega constraint for residue 51
 &rst iat=794,792,790,775, &end
#
#  trans-omega constraint for residue 52
 &rst iat=813,811,809,794, &end
#
#  trans-omega constraint for residue 53
 &rst iat=824,822,820,813, &end
#
#  trans-omega constraint for residue 54
 &rst iat=846,844,842,824, &end
#
#  trans-omega constraint for residue 55
 &rst iat=863,861,859,846, &end
#
#  trans-omega constraint for residue 56
 &rst iat=877,875,873,863, &end
#
#  trans-omega constraint for residue 57
 &rst iat=888,886,884,877, &end
#
#  trans-omega constraint for residue 58
 &rst iat=895,893,891,888, &end
#
#  trans-omega constraint for residue 59
 &rst iat=902,900,898,895, &end
#
#  trans-omega constraint for residue 60
 &rst iat=913,911,909,902, &end
#
#  trans-omega constraint for residue 61
 &rst iat=920,918,916,913, &end
#
#  trans-omega constraint for residue 62
 &rst iat=927,925,923,920, &end
#
#  trans-omega constraint for residue 63
 &rst iat=938,936,934,927, &end
#
#  trans-omega constraint for residue 64
 &rst iat=960,958,956,938, &end
#
#  trans-omega constraint for residue 65
 &rst iat=979,977,975,960, &end
#
#  trans-omega constraint for residue 66
 &rst iat=986,984,982,979, &end
#
#  trans-omega constraint for residue 67
 &rst iat=993,991,989,986, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1004,1002,1000,993, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1011,1009,1007,1004, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1018,1016,1014,1011, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1029,1027,1025,1018, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1053,1051,1049,1029, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1075,1073,1071,1053, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1087,1085,1083,1075, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1106,1104,1102,1087, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1117,1115,1113,1106, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1133,1131,1129,1117, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1155,1153,1151,1133, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1162,1160,1158,1155, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1179,1177,1175,1162, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1198,1196,1194,1179, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1219,1217,1215,1198, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1231,1229,1227,1219, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1242,1240,1238,1231, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1254,1252,1250,1242, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1265,1263,1261,1254, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1282,1280,1278,1265, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1299,1297,1295,1282, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1318,1316,1314,1299, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1337,1335,1333,1318, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1351,1349,1347,1337, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1375,1373,1371,1351, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1394,1392,1390,1375, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1418,1416,1414,1394, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1433,1431,1429,1418, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1457,1455,1453,1433, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1473,1471,1469,1457, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1484,1482,1480,1473, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1491,1489,1487,1484, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1502,1500,1498,1491, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1516,1514,1512,1502, &end
#
#  trans-omega constraint for residue 102
 &rst iat=1526,1524,1522,1516, &end
#
#  trans-omega constraint for residue 103
 &rst iat=1543,1541,1539,1526, &end
#
#  trans-omega constraint for residue 104
 &rst iat=1554,1552,1550,1543, &end


# 1562 atoms read from pdb file sprt6_sander.pdb.
# 11 HIS PHI:  (10 ASN C)-(11 HIS N)-(11 HIS CA)-(11 HIS C) -107.1 -27.6
 &rst     iat =   153,   155,   157,   170,
   r1 = -108.1, r2 = -107.1, r3 = -27.6, r4 = -26.6,
   rk2 =   50.0, rk3 =   50.0,    &end

# 11 HIS PSI:  (11 HIS N)-(11 HIS CA)-(11 HIS C)-(12 ARG N) -71.1 -11.8
 &rst     iat =   155,   157,   170,   172,
   r1 = -72.1, r2 = -71.1, r3 = -11.8, r4 = -10.8,
 &end

# 12 ARG PHI:  (11 HIS C)-(12 ARG N)-(12 ARG CA)-(12 ARG C) -73.4 -50.1
 &rst     iat =   170,   172,   174,   194,
   r1 = -74.4, r2 = -73.4, r3 = -50.1, r4 = -49.1,
 &end

# 12 ARG PSI:  (12 ARG N)-(12 ARG CA)-(12 ARG C)-(13 GLU N) -59.0 -25.1
 &rst     iat =   172,   174,   194,   196,
   r1 = -60.0, r2 = -59.0, r3 = -25.1, r4 = -24.1,
 &end

# 13 GLU PHI:  (12 ARG C)-(13 GLU N)-(13 GLU CA)-(13 GLU C) -81.5 -49.7
 &rst     iat =   194,   196,   198,   209,
   r1 = -82.5, r2 = -81.5, r3 = -49.7, r4 = -48.7,
 &end

# 13 GLU PSI:  (13 GLU N)-(13 GLU CA)-(13 GLU C)-(14 VAL N) -52.2 -21.6
 &rst     iat =   196,   198,   209,   211,
   r1 = -53.2, r2 = -52.2, r3 = -21.6, r4 = -20.6,
 &end

# 14 VAL PHI:  (13 GLU C)-(14 VAL N)-(14 VAL CA)-(14 VAL C) -79.2 -47.9
 &rst     iat =   209,   211,   213,   225,
   r1 = -80.2, r2 = -79.2, r3 = -47.9, r4 = -46.9,
 &end

# 14 VAL PSI:  (14 VAL N)-(14 VAL CA)-(14 VAL C)-(15 ASP N) -52.0 -32.7
 &rst     iat =   211,   213,   225,   227,
   r1 = -53.0, r2 = -52.0, r3 = -32.7, r4 = -31.7,
 &end

# 15 ASP PHI:  (14 VAL C)-(15 ASP N)-(15 ASP CA)-(15 ASP C) -76.7 -54.1
 &rst     iat =   225,   227,   229,   237,
   r1 = -77.7, r2 = -76.7, r3 = -54.1, r4 = -53.1,
 &end

# 15 ASP PSI:  (15 ASP N)-(15 ASP CA)-(15 ASP C)-(16 GLU N) -61.3 -20.6
 &rst     iat =   227,   229,   237,   239,
   r1 = -62.3, r2 = -61.3, r3 = -20.6, r4 = -19.6,
 &end

# 16 GLU PHI:  (15 ASP C)-(16 GLU N)-(16 GLU CA)-(16 GLU C) -77.5 -53.1
 &rst     iat =   237,   239,   241,   252,
   r1 = -78.5, r2 = -77.5, r3 = -53.1, r4 = -52.1,
 &end

# 16 GLU PSI:  (16 GLU N)-(16 GLU CA)-(16 GLU C)-(17 ALA N) -63.5 -21.7
 &rst     iat =   239,   241,   252,   254,
   r1 = -64.5, r2 = -63.5, r3 = -21.7, r4 = -20.7,
 &end

# 17 ALA PHI:  (16 GLU C)-(17 ALA N)-(17 ALA CA)-(17 ALA C) -81.5 -50.2
 &rst     iat =   252,   254,   256,   262,
   r1 = -82.5, r2 = -81.5, r3 = -50.2, r4 = -49.2,
 &end

# 17 ALA PSI:  (17 ALA N)-(17 ALA CA)-(17 ALA C)-(18 ILE N) -55.4 -24.4
 &rst     iat =   254,   256,   262,   264,
   r1 = -56.4, r2 = -55.4, r3 = -24.4, r4 = -23.4,
 &end

# 18 ILE PHI:  (17 ALA C)-(18 ILE N)-(18 ILE CA)-(18 ILE C) -72.8 -55.5
 &rst     iat =   262,   264,   266,   281,
   r1 = -73.8, r2 = -72.8, r3 = -55.5, r4 = -54.5,
 &end

# 18 ILE PSI:  (18 ILE N)-(18 ILE CA)-(18 ILE C)-(19 ASP N) -48.5 -34.2
 &rst     iat =   264,   266,   281,   283,
   r1 = -49.5, r2 = -48.5, r3 = -34.2, r4 = -33.2,
 &end

# 19 ASP PHI:  (18 ILE C)-(19 ASP N)-(19 ASP CA)-(19 ASP C) -69.6 -52.5
 &rst     iat =   281,   283,   285,   293,
   r1 = -70.6, r2 = -69.6, r3 = -52.5, r4 = -51.5,
 &end

# 19 ASP PSI:  (19 ASP N)-(19 ASP CA)-(19 ASP C)-(20 ASN N) -56.5 -29.6
 &rst     iat =   283,   285,   293,   295,
   r1 = -57.5, r2 = -56.5, r3 = -29.6, r4 = -28.6,
 &end

# 20 ASN PHI:  (19 ASP C)-(20 ASN N)-(20 ASN CA)-(20 ASN C) -72.0 -58.9
 &rst     iat =   293,   295,   297,   307,
   r1 = -73.0, r2 = -72.0, r3 = -58.9, r4 = -57.9,
 &end

# 20 ASN PSI:  (20 ASN N)-(20 ASN CA)-(20 ASN C)-(21 ILE N) -51.6 -30.1
 &rst     iat =   295,   297,   307,   309,
   r1 = -52.6, r2 = -51.6, r3 = -30.1, r4 = -29.1,
 &end

# 21 ILE PHI:  (20 ASN C)-(21 ILE N)-(21 ILE CA)-(21 ILE C) -78.0 -51.0
 &rst     iat =   307,   309,   311,   326,
   r1 = -79.0, r2 = -78.0, r3 = -51.0, r4 = -50.0,
 &end

# 21 ILE PSI:  (21 ILE N)-(21 ILE CA)-(21 ILE C)-(22 LEU N) -53.7 -30.7
 &rst     iat =   309,   311,   326,   328,
   r1 = -54.7, r2 = -53.7, r3 = -30.7, r4 = -29.7,
 &end

# 22 LEU PHI:  (21 ILE C)-(22 LEU N)-(22 LEU CA)-(22 LEU C) -74.5 -54.4
 &rst     iat =   326,   328,   330,   345,
   r1 = -75.5, r2 = -74.5, r3 = -54.4, r4 = -53.4,
 &end

# 22 LEU PSI:  (22 LEU N)-(22 LEU CA)-(22 LEU C)-(23 ARG N) -54.9 -34.3
 &rst     iat =   328,   330,   345,   347,
   r1 = -55.9, r2 = -54.9, r3 = -34.3, r4 = -33.3,
 &end

# 23 ARG PHI:  (22 LEU C)-(23 ARG N)-(23 ARG CA)-(23 ARG C) -75.5 -54.8
 &rst     iat =   345,   347,   349,   369,
   r1 = -76.5, r2 = -75.5, r3 = -54.8, r4 = -53.8,
 &end

# 23 ARG PSI:  (23 ARG N)-(23 ARG CA)-(23 ARG C)-(24 TYR N) -51.7 -33.9
 &rst     iat =   347,   349,   369,   371,
   r1 = -52.7, r2 = -51.7, r3 = -33.9, r4 = -32.9,
 &end

# 24 TYR PHI:  (23 ARG C)-(24 TYR N)-(24 TYR CA)-(24 TYR C) -78.0 -48.0
 &rst     iat =   369,   371,   373,   390,
   r1 = -79.0, r2 = -78.0, r3 = -48.0, r4 = -47.0,
 &end

# 24 TYR PSI:  (24 TYR N)-(24 TYR CA)-(24 TYR C)-(25 THR N) -54.8 -16.8
 &rst     iat =   371,   373,   390,   392,
   r1 = -55.8, r2 = -54.8, r3 = -16.8, r4 = -15.8,
 &end

# 25 THR PHI:  (24 TYR C)-(25 THR N)-(25 THR CA)-(25 THR C) -138.4 -75.1
 &rst     iat =   390,   392,   394,   404,
   r1 = -139.4, r2 = -138.4, r3 = -75.1, r4 = -74.1,
 &end

# 25 THR PSI:  (25 THR N)-(25 THR CA)-(25 THR C)-(26 ASN N) -40.3  23.9
 &rst     iat =   392,   394,   404,   406,
   r1 = -41.3, r2 = -40.3, r3 =  23.9, r4 =  24.9,
 &end

# 28 THR PHI:  (27 SER C)-(28 THR N)-(28 THR CA)-(28 THR C) -149.5 -47.0
 &rst     iat =   429,   431,   433,   443,
   r1 = -150.5, r2 = -149.5, r3 = -47.0, r4 = -46.0,
 &end

# 28 THR PSI:  (28 THR N)-(28 THR CA)-(28 THR C)-(29 GLU N) 150.8 187.3
 &rst     iat =   431,   433,   443,   445,
   r1 = 149.8, r2 = 150.8, r3 = 187.3, r4 = 188.3,
 &end

# 29 GLU PHI:  (28 THR C)-(29 GLU N)-(29 GLU CA)-(29 GLU C) -65.8 -51.6
 &rst     iat =   443,   445,   447,   458,
   r1 = -66.8, r2 = -65.8, r3 = -51.6, r4 = -50.6,
 &end

# 29 GLU PSI:  (29 GLU N)-(29 GLU CA)-(29 GLU C)-(30 GLN N) -53.1 -24.7
 &rst     iat =   445,   447,   458,   460,
   r1 = -54.1, r2 = -53.1, r3 = -24.7, r4 = -23.7,
 &end

# 30 GLN PHI:  (29 GLU C)-(30 GLN N)-(30 GLN CA)-(30 GLN C) -67.7 -54.8
 &rst     iat =   458,   460,   462,   475,
   r1 = -68.7, r2 = -67.7, r3 = -54.8, r4 = -53.8,
 &end

# 30 GLN PSI:  (30 GLN N)-(30 GLN CA)-(30 GLN C)-(31 GLN N) -55.3 -28.5
 &rst     iat =   460,   462,   475,   477,
   r1 = -56.3, r2 = -55.3, r3 = -28.5, r4 = -27.5,
 &end

# 31 GLN PHI:  (30 GLN C)-(31 GLN N)-(31 GLN CA)-(31 GLN C) -71.7 -55.4
 &rst     iat =   475,   477,   479,   492,
   r1 = -72.7, r2 = -71.7, r3 = -55.4, r4 = -54.4,
 &end

# 31 GLN PSI:  (31 GLN N)-(31 GLN CA)-(31 GLN C)-(32 PHE N) -54.3 -26.0
 &rst     iat =   477,   479,   492,   494,
   r1 = -55.3, r2 = -54.3, r3 = -26.0, r4 = -25.0,
 &end

# 32 PHE PHI:  (31 GLN C)-(32 PHE N)-(32 PHE CA)-(32 PHE C) -81.9 -53.6
 &rst     iat =   492,   494,   496,   512,
   r1 = -82.9, r2 = -81.9, r3 = -53.6, r4 = -52.6,
 &end

# 32 PHE PSI:  (32 PHE N)-(32 PHE CA)-(32 PHE C)-(33 LEU N) -57.0 -20.8
 &rst     iat =   494,   496,   512,   514,
   r1 = -58.0, r2 = -57.0, r3 = -20.8, r4 = -19.8,
 &end

# 33 LEU PHI:  (32 PHE C)-(33 LEU N)-(33 LEU CA)-(33 LEU C) -71.7 -51.4
 &rst     iat =   512,   514,   516,   531,
   r1 = -72.7, r2 = -71.7, r3 = -51.4, r4 = -50.4,
 &end

# 33 LEU PSI:  (33 LEU N)-(33 LEU CA)-(33 LEU C)-(34 GLU N) -49.3 -30.5
 &rst     iat =   514,   516,   531,   533,
   r1 = -50.3, r2 = -49.3, r3 = -30.5, r4 = -29.5,
 &end

# 34 GLU PHI:  (33 LEU C)-(34 GLU N)-(34 GLU CA)-(34 GLU C) -71.7 -55.6
 &rst     iat =   531,   533,   535,   546,
   r1 = -72.7, r2 = -71.7, r3 = -55.6, r4 = -54.6,
 &end

# 34 GLU PSI:  (34 GLU N)-(34 GLU CA)-(34 GLU C)-(35 ALA N) -54.4 -29.0
 &rst     iat =   533,   535,   546,   548,
   r1 = -55.4, r2 = -54.4, r3 = -29.0, r4 = -28.0,
 &end

# 35 ALA PHI:  (34 GLU C)-(35 ALA N)-(35 ALA CA)-(35 ALA C) -69.7 -57.2
 &rst     iat =   546,   548,   550,   556,
   r1 = -70.7, r2 = -69.7, r3 = -57.2, r4 = -56.2,
 &end

# 35 ALA PSI:  (35 ALA N)-(35 ALA CA)-(35 ALA C)-(36 MET N) -50.2 -34.7
 &rst     iat =   548,   550,   556,   558,
   r1 = -51.2, r2 = -50.2, r3 = -34.7, r4 = -33.7,
 &end

# 36 MET PHI:  (35 ALA C)-(36 MET N)-(36 MET CA)-(36 MET C) -73.4 -55.1
 &rst     iat =   556,   558,   560,   573,
   r1 = -74.4, r2 = -73.4, r3 = -55.1, r4 = -54.1,
 &end

# 36 MET PSI:  (36 MET N)-(36 MET CA)-(36 MET C)-(37 GLU N) -62.4 -25.0
 &rst     iat =   558,   560,   573,   575,
   r1 = -63.4, r2 = -62.4, r3 = -25.0, r4 = -24.0,
 &end

# 37 GLU PHI:  (36 MET C)-(37 GLU N)-(37 GLU CA)-(37 GLU C) -73.1 -52.7
 &rst     iat =   573,   575,   577,   588,
   r1 = -74.1, r2 = -73.1, r3 = -52.7, r4 = -51.7,
 &end

# 37 GLU PSI:  (37 GLU N)-(37 GLU CA)-(37 GLU C)-(38 SER N) -56.8 -28.1
 &rst     iat =   575,   577,   588,   590,
   r1 = -57.8, r2 = -56.8, r3 = -28.1, r4 = -27.1,
 &end

# 38 SER PHI:  (37 GLU C)-(38 SER N)-(38 SER CA)-(38 SER C) -89.3 -42.4
 &rst     iat =   588,   590,   592,   599,
   r1 = -90.3, r2 = -89.3, r3 = -42.4, r4 = -41.4,
 &end

# 38 SER PSI:  (38 SER N)-(38 SER CA)-(38 SER C)-(39 THR N) -51.7  -7.4
 &rst     iat =   590,   592,   599,   601,
   r1 = -52.7, r2 = -51.7, r3 =  -7.4, r4 =  -6.4,
 &end

# 39 THR PHI:  (38 SER C)-(39 THR N)-(39 THR CA)-(39 THR C) -126.3 -64.4
 &rst     iat =   599,   601,   603,   613,
   r1 = -127.3, r2 = -126.3, r3 = -64.4, r4 = -63.4,
 &end

# 39 THR PSI:  (39 THR N)-(39 THR CA)-(39 THR C)-(40 GLY N) -48.5  46.8
 &rst     iat =   601,   603,   613,   615,
   r1 = -49.5, r2 = -48.5, r3 =  46.8, r4 =  47.8,
 &end

# 43 VAL PHI:  (42 ARG C)-(43 VAL N)-(43 VAL CA)-(43 VAL C) -62.3 -45.5
 &rst     iat =   651,   653,   655,   667,
   r1 = -63.3, r2 = -62.3, r3 = -45.5, r4 = -44.5,
 &end

# 43 VAL PSI:  (43 VAL N)-(43 VAL CA)-(43 VAL C)-(44 ARG N) -60.8 -32.0
 &rst     iat =   653,   655,   667,   669,
   r1 = -61.8, r2 = -60.8, r3 = -32.0, r4 = -31.0,
 &end

# 44 ARG PHI:  (43 VAL C)-(44 ARG N)-(44 ARG CA)-(44 ARG C) -65.5 -49.7
 &rst     iat =   667,   669,   671,   691,
   r1 = -66.5, r2 = -65.5, r3 = -49.7, r4 = -48.7,
 &end

# 44 ARG PSI:  (44 ARG N)-(44 ARG CA)-(44 ARG C)-(45 ILE N) -57.0 -26.1
 &rst     iat =   669,   671,   691,   693,
   r1 = -58.0, r2 = -57.0, r3 = -26.1, r4 = -25.1,
 &end

# 45 ILE PHI:  (44 ARG C)-(45 ILE N)-(45 ILE CA)-(45 ILE C) -78.8 -52.1
 &rst     iat =   691,   693,   695,   710,
   r1 = -79.8, r2 = -78.8, r3 = -52.1, r4 = -51.1,
 &end

# 45 ILE PSI:  (45 ILE N)-(45 ILE CA)-(45 ILE C)-(46 ALA N) -59.9 -23.8
 &rst     iat =   693,   695,   710,   712,
   r1 = -60.9, r2 = -59.9, r3 = -23.8, r4 = -22.8,
 &end

# 46 ALA PHI:  (45 ILE C)-(46 ALA N)-(46 ALA CA)-(46 ALA C) -71.4 -56.4
 &rst     iat =   710,   712,   714,   720,
   r1 = -72.4, r2 = -71.4, r3 = -56.4, r4 = -55.4,
 &end

# 46 ALA PSI:  (46 ALA N)-(46 ALA CA)-(46 ALA C)-(47 ILE N) -54.1 -29.7
 &rst     iat =   712,   714,   720,   722,
   r1 = -55.1, r2 = -54.1, r3 = -29.7, r4 = -28.7,
 &end

# 47 ILE PHI:  (46 ALA C)-(47 ILE N)-(47 ILE CA)-(47 ILE C) -71.0 -54.6
 &rst     iat =   720,   722,   724,   739,
   r1 = -72.0, r2 = -71.0, r3 = -54.6, r4 = -53.6,
 &end

# 47 ILE PSI:  (47 ILE N)-(47 ILE CA)-(47 ILE C)-(48 ALA N) -51.3 -32.2
 &rst     iat =   722,   724,   739,   741,
   r1 = -52.3, r2 = -51.3, r3 = -32.2, r4 = -31.2,
 &end

# 48 ALA PHI:  (47 ILE C)-(48 ALA N)-(48 ALA CA)-(48 ALA C) -71.4 -53.1
 &rst     iat =   739,   741,   743,   749,
   r1 = -72.4, r2 = -71.4, r3 = -53.1, r4 = -52.1,
 &end

# 48 ALA PSI:  (48 ALA N)-(48 ALA CA)-(48 ALA C)-(49 LYS N) -49.9 -31.0
 &rst     iat =   741,   743,   749,   751,
   r1 = -50.9, r2 = -49.9, r3 = -31.0, r4 = -30.0,
 &end

# 49 LYS PHI:  (48 ALA C)-(49 LYS N)-(49 LYS CA)-(49 LYS C) -73.6 -55.2
 &rst     iat =   749,   751,   753,   771,
   r1 = -74.6, r2 = -73.6, r3 = -55.2, r4 = -54.2,
 &end

# 49 LYS PSI:  (49 LYS N)-(49 LYS CA)-(49 LYS C)-(50 LEU N) -58.9 -28.7
 &rst     iat =   751,   753,   771,   773,
   r1 = -59.9, r2 = -58.9, r3 = -28.7, r4 = -27.7,
 &end

# 50 LEU PHI:  (49 LYS C)-(50 LEU N)-(50 LEU CA)-(50 LEU C) -85.8 -48.3
 &rst     iat =   771,   773,   775,   790,
   r1 = -86.8, r2 = -85.8, r3 = -48.3, r4 = -47.3,
 &end

# 50 LEU PSI:  (50 LEU N)-(50 LEU CA)-(50 LEU C)-(51 LEU N) -57.1 -19.0
 &rst     iat =   773,   775,   790,   792,
   r1 = -58.1, r2 = -57.1, r3 = -19.0, r4 = -18.0,
 &end

# 51 LEU PHI:  (50 LEU C)-(51 LEU N)-(51 LEU CA)-(51 LEU C) -89.6 -43.2
 &rst     iat =   790,   792,   794,   809,
   r1 = -90.6, r2 = -89.6, r3 = -43.2, r4 = -42.2,
 &end

# 51 LEU PSI:  (51 LEU N)-(51 LEU CA)-(51 LEU C)-(52 SER N) -81.9  13.2
 &rst     iat =   792,   794,   809,   811,
   r1 = -82.9, r2 = -81.9, r3 =  13.2, r4 =  14.2,
 &end

# 52 SER PHI:  (51 LEU C)-(52 SER N)-(52 SER CA)-(52 SER C) -115.5 -22.0
 &rst     iat =   809,   811,   813,   820,
   r1 = -116.5, r2 = -115.5, r3 = -22.0, r4 = -21.0,
 &end

# 52 SER PSI:  (52 SER N)-(52 SER CA)-(52 SER C)-(53 LYS N) -89.9  23.8
 &rst     iat =   811,   813,   820,   822,
   r1 = -90.9, r2 = -89.9, r3 =  23.8, r4 =  24.8,
 &end

# 85 SER PHI:  (84 ASP C)-(85 SER N)-(85 SER CA)-(85 SER C) -67.5 -46.6
 &rst     iat =  1250,  1252,  1254,  1261,
   r1 = -68.5, r2 = -67.5, r3 = -46.6, r4 = -45.6,
 &end

# 85 SER PSI:  (85 SER N)-(85 SER CA)-(85 SER C)-(86 GLN N) -57.1 -23.8
 &rst     iat =  1252,  1254,  1261,  1263,
   r1 = -58.1, r2 = -57.1, r3 = -23.8, r4 = -22.8,
 &end

# 86 GLN PHI:  (85 SER C)-(86 GLN N)-(86 GLN CA)-(86 GLN C) -70.8 -49.4
 &rst     iat =  1261,  1263,  1265,  1278,
   r1 = -71.8, r2 = -70.8, r3 = -49.4, r4 = -48.4,
 &end

# 86 GLN PSI:  (86 GLN N)-(86 GLN CA)-(86 GLN C)-(87 GLN N) -53.1 -33.2
 &rst     iat =  1263,  1265,  1278,  1280,
   r1 = -54.1, r2 = -53.1, r3 = -33.2, r4 = -32.2,
 &end

# 87 GLN PHI:  (86 GLN C)-(87 GLN N)-(87 GLN CA)-(87 GLN C) -77.2 -55.1
 &rst     iat =  1278,  1280,  1282,  1295,
   r1 = -78.2, r2 = -77.2, r3 = -55.1, r4 = -54.1,
 &end

# 87 GLN PSI:  (87 GLN N)-(87 GLN CA)-(87 GLN C)-(88 ILE N) -53.2 -23.7
 &rst     iat =  1280,  1282,  1295,  1297,
   r1 = -54.2, r2 = -53.2, r3 = -23.7, r4 = -22.7,
 &end

# 88 ILE PHI:  (87 GLN C)-(88 ILE N)-(88 ILE CA)-(88 ILE C) -75.6 -57.5
 &rst     iat =  1295,  1297,  1299,  1314,
   r1 = -76.6, r2 = -75.6, r3 = -57.5, r4 = -56.5,
 &end

# 88 ILE PSI:  (88 ILE N)-(88 ILE CA)-(88 ILE C)-(89 LEU N) -49.2 -34.6
 &rst     iat =  1297,  1299,  1314,  1316,
   r1 = -50.2, r2 = -49.2, r3 = -34.6, r4 = -33.6,
 &end

# 89 LEU PHI:  (88 ILE C)-(89 LEU N)-(89 LEU CA)-(89 LEU C) -69.1 -52.6
 &rst     iat =  1314,  1316,  1318,  1333,
   r1 = -70.1, r2 = -69.1, r3 = -52.6, r4 = -51.6,
 &end

# 89 LEU PSI:  (89 LEU N)-(89 LEU CA)-(89 LEU C)-(90 ASN N) -54.0 -33.2
 &rst     iat =  1316,  1318,  1333,  1335,
   r1 = -55.0, r2 = -54.0, r3 = -33.2, r4 = -32.2,
 &end

# 90 ASN PHI:  (89 LEU C)-(90 ASN N)-(90 ASN CA)-(90 ASN C) -68.3 -54.2
 &rst     iat =  1333,  1335,  1337,  1347,
   r1 = -69.3, r2 = -68.3, r3 = -54.2, r4 = -53.2,
 &end

# 90 ASN PSI:  (90 ASN N)-(90 ASN CA)-(90 ASN C)-(91 ARG N) -55.5 -33.9
 &rst     iat =  1335,  1337,  1347,  1349,
   r1 = -56.5, r2 = -55.5, r3 = -33.9, r4 = -32.9,
 &end

# 91 ARG PHI:  (90 ASN C)-(91 ARG N)-(91 ARG CA)-(91 ARG C) -73.6 -52.0
 &rst     iat =  1347,  1349,  1351,  1371,
   r1 = -74.6, r2 = -73.6, r3 = -52.0, r4 = -51.0,
 &end

# 91 ARG PSI:  (91 ARG N)-(91 ARG CA)-(91 ARG C)-(92 LEU N) -51.6 -28.3
 &rst     iat =  1349,  1351,  1371,  1373,
   r1 = -52.6, r2 = -51.6, r3 = -28.3, r4 = -27.3,
 &end

# 92 LEU PHI:  (91 ARG C)-(92 LEU N)-(92 LEU CA)-(92 LEU C) -69.7 -48.2
 &rst     iat =  1371,  1373,  1375,  1390,
   r1 = -70.7, r2 = -69.7, r3 = -48.2, r4 = -47.2,
 &end

# 92 LEU PSI:  (92 LEU N)-(92 LEU CA)-(92 LEU C)-(93 ARG N) -53.5 -32.2
 &rst     iat =  1373,  1375,  1390,  1392,
   r1 = -54.5, r2 = -53.5, r3 = -32.2, r4 = -31.2,
 &end

# 93 ARG PHI:  (92 LEU C)-(93 ARG N)-(93 ARG CA)-(93 ARG C) -69.5 -52.8
 &rst     iat =  1390,  1392,  1394,  1414,
   r1 = -70.5, r2 = -69.5, r3 = -52.8, r4 = -51.8,
 &end

# 93 ARG PSI:  (93 ARG N)-(93 ARG CA)-(93 ARG C)-(94 GLU N) -50.8 -29.7
 &rst     iat =  1392,  1394,  1414,  1416,
   r1 = -51.8, r2 = -50.8, r3 = -29.7, r4 = -28.7,
 &end

# 94 GLU PHI:  (93 ARG C)-(94 GLU N)-(94 GLU CA)-(94 GLU C) -69.6 -61.5
 &rst     iat =  1414,  1416,  1418,  1429,
   r1 = -70.6, r2 = -69.6, r3 = -61.5, r4 = -60.5,
 &end

# 94 GLU PSI:  (94 GLU N)-(94 GLU CA)-(94 GLU C)-(95 ARG N) -52.5 -34.9
 &rst     iat =  1416,  1418,  1429,  1431,
   r1 = -53.5, r2 = -52.5, r3 = -34.9, r4 = -33.9,
 &end

# 95 ARG PHI:  (94 GLU C)-(95 ARG N)-(95 ARG CA)-(95 ARG C) -68.2 -53.8
 &rst     iat =  1429,  1431,  1433,  1453,
   r1 = -69.2, r2 = -68.2, r3 = -53.8, r4 = -52.8,
 &end

# 95 ARG PSI:  (95 ARG N)-(95 ARG CA)-(95 ARG C)-(96 VAL N) -58.6 -28.0
 &rst     iat =  1431,  1433,  1453,  1455,
   r1 = -59.6, r2 = -58.6, r3 = -28.0, r4 = -27.0,
 &end

# 96 VAL PHI:  (95 ARG C)-(96 VAL N)-(96 VAL CA)-(96 VAL C) -106.3 -26.3
 &rst     iat =  1453,  1455,  1457,  1469,
   r1 = -107.3, r2 = -106.3, r3 = -26.3, r4 = -25.3,
 &end

# 96 VAL PSI:  (96 VAL N)-(96 VAL CA)-(96 VAL C)-(97 SER N) -64.0   1.8
 &rst     iat =  1455,  1457,  1469,  1471,
   r1 = -65.0, r2 = -64.0, r3 =   1.8, r4 =   2.8,
 &end

# 97 SER PHI:  (96 VAL C)-(97 SER N)-(97 SER CA)-(97 SER C) -135.8 -12.8
 &rst     iat =  1469,  1471,  1473,  1480,
   r1 = -136.8, r2 = -135.8, r3 = -12.8, r4 = -11.8,
 &end

# 97 SER PSI:  (97 SER N)-(97 SER CA)-(97 SER C)-(98 GLY N) -95.8  44.5
 &rst     iat =  1471,  1473,  1480,  1482,
   r1 = -96.8, r2 = -95.8, r3 =  44.5, r4 =  45.5,
 &end




#
#  11 HIS  O      15 ASP  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 228, r1= 0.00, r2= 1.80, r3= 2.00, r4= 2.75, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=1,
 &end
#
#  11 HIS  O      15 ASP  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 227, r1= 0.00, r2= 1.80, r3= 3.00, r4= 3.75,  &end
#
#  12 ARG  O      16 GLU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 195, 240, r1= 0.00, r2= 1.80, r3= 2.00, r4= 2.75,  &end
#
#  12 ARG  O      16 GLU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 195, 239, r1= 0.00, r2= 1.80, r3= 3.00, r4= 3.75,  &end
#
#  13 GLU  O      17 ALA  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 255, r1= 0.00, r2= 1.80, r3= 2.00, r4= 2.75,  &end
#
#  13 GLU  O      17 ALA  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 254, r1= 0.00, r2= 1.80, r3= 3.00, r4= 3.75,  &end
#
#  14 VAL  O      18 ILE  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 265, r1= 0.00, r2= 1.80, r3= 2.00, r4= 2.75,  &end
#
#  14 VAL  O      18 ILE  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 264, r1= 0.00, r2= 1.80, r3= 3.00, r4= 3.75,  &end
#
#  15 ASP  O      19 ASP  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 238, 284, r1= 0.00, r2= 1.80, r3= 2.00, r4= 2.75,  &end
#
#  15 ASP  O      19 ASP  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 238, 283, r1= 0.00, r2= 1.80, r3= 3.00, r4= 3.75,  &end
#
#  16 GLU  O      20 ASN  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 296, r1= 0.00, r2= 1.80, r3= 2.00, r4= 2.75,  &end
#
#  16 GLU  O      20 ASN  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 295, r1= 0.00, r2= 1.80, r3= 3.00, r4= 3.75,  &end
#
#  17 ALA  O      21 ILE  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 263, 310, r1= 0.00, r2= 1.80, r3= 2.00, r4= 2.75,  &end
#
#  17 ALA  O      21 ILE  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 263, 309, r1= 0.00, r2= 1.80, r3= 3.00, r4= 3.75,  &end
#
#  18 ILE  O      22 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 329, r1= 0.00, r2= 1.80, r3= 2.00, r4= 2.75,  &end
#
#  18 ILE  O      22 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 328, r1= 0.00, r2= 1.80, r3= 3.00, r4= 3.75,  &end
#
#  19 ASP  O      23 ARG  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 348, r1= 0.00, r2= 1.80, r3= 2.00, r4= 2.75,  &end
#
#  19 ASP  O      23 ARG  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 347, r1= 0.00, r2= 1.80, r3= 3.00, r4= 3.75,  &end
#
#  20 ASN  O      24 TYR  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 372, r1= 0.00, r2= 1.80, r3= 2.00, r4= 2.75,  &end
#
#  20 ASN  O      24 TYR  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 371, r1= 0.00, r2= 1.80, r3= 3.00, r4= 3.75,  &end
#
#  29 GLU  O      33 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 515, r1= 0.00, r2= 1.80, r3= 2.00, r4= 2.75,  &end
#
#  29 GLU  O      33 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 514, r1= 0.00, r2= 1.80, r3= 3.00, r4= 3.75,  &end
#
#  30 GLN  O      34 GLU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 476, 534, r1= 0.00, r2= 1.80, r3= 2.00, r4= 2.75,  &end
#
#  30 GLN  O      34 GLU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 476, 533, r1= 0.00, r2= 1.80, r3= 3.00, r4= 3.75,  &end
#
#  31 GLN  O      35 ALA  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 493, 549, r1= 0.00, r2= 1.80, r3= 2.00, r4= 2.75,  &end
#
#  31 GLN  O      35 ALA  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 493, 548, r1= 0.00, r2= 1.80, r3= 3.00, r4= 3.75,  &end
#
#  32 PHE  O      36 MET  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 513, 559, r1= 0.00, r2= 1.80, r3= 2.00, r4= 2.75,  &end
#
#  32 PHE  O      36 MET  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 513, 558, r1= 0.00, r2= 1.80, r3= 3.00, r4= 3.75,  &end
#
#  33 LEU  O      37 GLU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 576, r1= 0.00, r2= 1.80, r3= 2.00, r4= 2.75,  &end
#
#  33 LEU  O      37 GLU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 575, r1= 0.00, r2= 1.80, r3= 3.00, r4= 3.75,  &end
#
#  34 GLU  O      38 SER  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 591, r1= 0.00, r2= 1.80, r3= 2.00, r4= 2.75,  &end
#
#  34 GLU  O      38 SER  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 590, r1= 0.00, r2= 1.80, r3= 3.00, r4= 3.75,  &end
#
#  44 ARG  O      48 ALA  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 742, r1= 0.00, r2= 1.80, r3= 2.00, r4= 2.75,  &end
#
#  44 ARG  O      48 ALA  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 741, r1= 0.00, r2= 1.80, r3= 3.00, r4= 3.75,  &end
#
#  45 ILE  O      49 LYS  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 711, 752, r1= 0.00, r2= 1.80, r3= 2.00, r4= 2.75,  &end
#
#  45 ILE  O      49 LYS  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 711, 751, r1= 0.00, r2= 1.80, r3= 3.00, r4= 3.75,  &end
#
#  46 ALA  O      50 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 721, 774, r1= 0.00, r2= 1.80, r3= 2.00, r4= 2.75,  &end
#
#  46 ALA  O      50 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 721, 773, r1= 0.00, r2= 1.80, r3= 3.00, r4= 3.75,  &end
#
#  47 ILE  O      51 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 740, 793, r1= 0.00, r2= 1.80, r3= 2.00, r4= 2.75,  &end
#
#  47 ILE  O      51 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 740, 792, r1= 0.00, r2= 1.80, r3= 3.00, r4= 3.75,  &end
#
#  48 ALA  O      52 SER  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 812, r1= 0.00, r2= 1.80, r3= 2.00, r4= 2.75,  &end
#
#  48 ALA  O      52 SER  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 811, r1= 0.00, r2= 1.80, r3= 3.00, r4= 3.75,  &end
#
#  85 SER  O      89 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1262,1317, r1= 0.00, r2= 1.80, r3= 2.00, r4= 2.75,  &end
#
#  85 SER  O      89 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1262,1316, r1= 0.00, r2= 1.80, r3= 3.00, r4= 3.75,  &end
#
#  86 GLN  O      90 ASN  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1279,1336, r1= 0.00, r2= 1.80, r3= 2.00, r4= 2.75,  &end
#
#  86 GLN  O      90 ASN  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1279,1335, r1= 0.00, r2= 1.80, r3= 3.00, r4= 3.75,  &end
#
#  87 GLN  O      91 ARG  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1296,1350, r1= 0.00, r2= 1.80, r3= 2.00, r4= 2.75,  &end
#
#  87 GLN  O      91 ARG  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1296,1349, r1= 0.00, r2= 1.80, r3= 3.00, r4= 3.75,  &end
#
#  88 ILE  O      92 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1315,1374, r1= 0.00, r2= 1.80, r3= 2.00, r4= 2.75,  &end
#
#  88 ILE  O      92 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1315,1373, r1= 0.00, r2= 1.80, r3= 3.00, r4= 3.75,  &end
#
#  89 LEU  O      93 ARG  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1334,1393, r1= 0.00, r2= 1.80, r3= 2.00, r4= 2.75,  &end
#
#  89 LEU  O      93 ARG  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1334,1392, r1= 0.00, r2= 1.80, r3= 3.00, r4= 3.75,  &end
#
#  90 ASN  O      94 GLU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1348,1417, r1= 0.00, r2= 1.80, r3= 2.00, r4= 2.75,  &end
#
#  90 ASN  O      94 GLU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1348,1416, r1= 0.00, r2= 1.80, r3= 3.00, r4= 3.75,  &end
#
#  91 ARG  O      95 ARG  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1372,1432, r1= 0.00, r2= 1.80, r3= 2.00, r4= 2.75,  &end
#
#  91 ARG  O      95 ARG  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1372,1431, r1= 0.00, r2= 1.80, r3= 3.00, r4= 3.75,  &end
#
#  92 LEU  O      96 VAL  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1391,1456, r1= 0.00, r2= 1.80, r3= 2.00, r4= 2.75,  &end
#
#  92 LEU  O      96 VAL  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1391,1455, r1= 0.00, r2= 1.80, r3= 3.00, r4= 3.75,  &end
#
#  93 ARG  O      97 SER  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1415,1472, r1= 0.00, r2= 1.80, r3= 2.00, r4= 2.75,  &end
#
#  93 ARG  O      97 SER  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1415,1471, r1= 0.00, r2= 1.80, r3= 3.00, r4= 3.75,  &end
#
#  94 GLU  O      98 GLY  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1430,1483, r1= 0.00, r2= 1.80, r3= 2.00, r4= 2.75,  &end
#
#  94 GLU  O      98 GLY  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1430,1482, r1= 0.00, r2= 1.80, r3= 3.00, r4= 3.75,  &end




#
#   22 LEU  HA           25 THR  HB          5.50    (#      5:23  Unique         5.15, 5.40 A)
 &rst
  ixpk= 5, nxpk= 23, iat= 331, 397, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
 &end
#
#   50 LEU  HB+          25 THR  HB          5.50    (#      6:23  Unique         2.61, 3.59 A)
 &rst
  ixpk= 6, nxpk= 23, iat=  -1, 397, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 778, 779,
 &end
#
#   25 THR  HN           25 THR  HB          5.50    (#      7:23  Unique         3.40, 3.49 A)
 &rst
  ixpk= 7, nxpk= 23, iat= 393, 397, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   50 LEU  HB-          25 THR  HB          5.50    (#      8:23  Unique         2.61, 3.59 A)
 &rst
  ixpk= 8, nxpk= 23, iat=  -1, 397, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 778, 779,
 &end
#
#   25 THR  MG2          25 THR  HB          4.50    (#      9:23  Unique         2.23, 2.64 A)
 &rst
  ixpk= 9, nxpk= 23, iat=  -1, 397, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 399, 400, 401,
 &end
#
#   50 LEU  MDY          25 THR  HB          4.50    (#     10:23  Unique         2.07, 3.98 A)
 &rst
  ixpk= 10, nxpk= 23, iat=  -1, 397, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 783, 784, 785, 787, 788, 789,
 &end
#
#   50 LEU  MDX          25 THR  HB          4.50    (#     11:23  Unique         2.07, 3.98 A)
 &rst
  ixpk= 11, nxpk= 23, iat=  -1, 397, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 783, 784, 785, 787, 788, 789,
 &end
#
#   21 ILE  MG2          25 THR  HB          5.60    (#     12:23  Unique         5.71, 6.37 A)
 &rst
  ixpk= 12, nxpk= 23, iat=  -1, 397, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 316, 317, 318,
 &end
#
#   39 THR  HN           39 THR  HB          5.60    (#     14:23  Unique         3.56, 3.60 A)
 &rst
  ixpk= 14, nxpk= 23, iat= 602, 606, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,  &end
#
#    0 AMB  23-2:15      39 THR  HB          4.50    (#     15:23  Single Ambig)
 &rst
  ixpk= 15, nxpk= 23, iat=  -1, 606, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 561, 595, 596, 595, 596,
 &end
#
#    0 AMB  23-2:16      39 THR  HB          4.50    (#     16:23  Single Ambig)
 &rst
  ixpk= 16, nxpk= 23, iat=  -1, 606, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 715, 696,
 &end
#
#   45 ILE  HB           39 THR  HB          4.50    (#     17:23  Unique         2.00, 2.14 A)
 &rst
  ixpk= 17, nxpk= 23, iat= 698, 606, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   42 ARG  HB-          39 THR  HB          4.50    (#     18:23  Unique         2.76, 3.76 A)
 &rst
  ixpk= 18, nxpk= 23, iat=  -1, 606, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 634, 635,
 &end
#
#   39 THR  MG2          39 THR  HB          4.50    (#     19:23  Unique         2.35, 2.64 A)
 &rst
  ixpk= 19, nxpk= 23, iat=  -1, 606, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 608, 609, 610,
 &end
#
#   45 ILE  MG2          39 THR  HB          4.50    (#     20:23  Unique         2.40, 3.59 A)
 &rst
  ixpk= 20, nxpk= 23, iat=  -1, 606, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 700, 701, 702,
 &end
#
#   45 ILE  MD1          39 THR  HB          5.50    (#     21:23  Unique         2.01, 3.47 A)
 &rst
  ixpk= 21, nxpk= 23, iat=  -1, 606, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 707, 708, 709,
 &end
#
#   55 THR  HN           55 THR  HB          5.50    (#     22:23  Unique         2.67, 3.50 A)
 &rst
  ixpk= 22, nxpk= 23, iat= 862, 866, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   55 THR  MG2          55 THR  HB          3.50    (#     24:23  Unique         2.23, 2.64 A)
 &rst
  ixpk= 24, nxpk= 23, iat=  -1, 866, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 868, 869, 870,
 &end
#
#    0 AMB  23-2:26       0 AMB  23-1:26     5.50    (#     26:23  Double Ambig)
 &rst
  ixpk= 26, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 284, 329,
 igr2= 267, 425, 426,
 &end
#
#    0 AMB  23-2:27      43 VAL  HA          4.50    (#     27:23  Single Ambig)
 &rst
  ixpk= 27, nxpk= 23, iat=  -1, 656, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 654, 723,
 &end
#
#    0 AMB  23-2:28       0 AMB  23-1:28     4.50    (#     28:23  Double Ambig)
 &rst
  ixpk= 28, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 432, 265,
 igr2= 425, 426, 267,
 &end
#
#   46 ALA  HN           43 VAL  HA          5.50    (#     30:23  Unique         3.28, 3.30 A)
 &rst
  ixpk= 30, nxpk= 23, iat= 713, 656, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  23-2:32       0 AMB  23-1:32     4.50    (#     32:23  Double Ambig)
 &rst
  ixpk= 32, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 421, 310,
 igr2= 425, 426, 267,
 &end
#
#   32 PHE  HE            0 AMB  23-1:33     4.50    (#     33:23  Single Ambig)
 &rst
  ixpk= 33, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 505, 509,
 igr2= 267, 425, 426,
 &end
#
#   45 ILE  HN           43 VAL  HA          5.50    (#     34:23  Unique         4.38, 4.41 A)
 &rst
  ixpk= 34, nxpk= 23, iat= 694, 656, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   27 SER  HA           27 SER  HB-         4.50    (#     35:23  Unique         2.26, 2.79 A)
 &rst
  ixpk= 35, nxpk= 23, iat= 423,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 425, 426,
 &end
#
#   32 PHE  HB+          27 SER  HB-         5.60    (#     40:23  Unique         3.41, 5.14 A)
 &rst
  ixpk= 40, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.06, r4= 7.81,
 igr1= 499, 500,
 igr2= 425, 426,
 &end
#
#   31 GLN  HB+          27 SER  HB-         5.50    (#     42:23  Unique         2.00, 3.36 A)
 &rst
  ixpk= 42, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 482, 483,
 igr2= 425, 426,
 &end
#
#   43 VAL  HB           43 VAL  HA          4.50    (#     43:23  Unique         2.46, 2.52 A)
 &rst
  ixpk= 43, nxpk= 23, iat= 658, 656, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  23-2:44       0 AMB  23-1:44     4.50    (#     44:23  Double Ambig)
 &rst
  ixpk= 44, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 269, 336,
 igr2= 267, 425, 426,
 &end
#
#   21 ILE  HB           18 ILE  HA          3.50    (#     47:23  Unique         3.01, 3.12 A)
 &rst
  ixpk= 47, nxpk= 23, iat= 314, 267, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  23-2:48      43 VAL  HA          5.60    (#     48:23  Single Ambig)
 &rst
  ixpk= 48, nxpk= 23, iat=  -1, 656, r1= 0.00, r2= 1.80, r3= 7.32, r4= 8.07,
 igr1= 677, 678, 553, 554, 555,
 &end
#
#   46 ALA  MB           43 VAL  HA          4.50    (#     50:23  Unique         2.30, 3.32 A)
 &rst
  ixpk= 50, nxpk= 23, iat=  -1, 656, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 717, 718, 719,
 &end
#
#   43 VAL  MGX          43 VAL  HA          4.50    (#     51:23  Unique         2.24, 3.44 A)
 &rst
  ixpk= 51, nxpk= 23, iat=  -1, 656, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 660, 661, 662, 664, 665, 666,
 &end
#
#    0 AMB  23-2:52      18 ILE  HA          2.80    (#     52:23  Single Ambig)
 &rst
  ixpk= 52, nxpk= 23, iat=  -1, 267, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 271, 272, 273, 278, 279, 280,
 &end
#
#    0 AMB  23-2:53      18 ILE  HA          3.50    (#     53:23  Single Ambig)
 &rst
  ixpk= 53, nxpk= 23, iat=  -1, 267, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1= 323, 324, 325, 320, 321,
 &end
#
#   22 LEU  MDY          27 SER  HB-         5.50    (#     56:23  Unique         2.19, 4.72 A)
 &rst
  ixpk= 56, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 338, 339, 340, 342, 343, 344,
 igr2= 425, 426,
 &end
#
#   47 ILE  HN           47 ILE  HA          5.50    (#     57:23  Unique         2.81, 2.82 A)
 &rst
  ixpk= 57, nxpk= 23, iat= 723, 725, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   50 LEU  HN           47 ILE  HA          3.50    (#     58:23  Unique         3.51, 3.52 A)
 &rst
  ixpk= 58, nxpk= 23, iat= 774, 725, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   48 ALA  HN           47 ILE  HA          5.60    (#     59:23  Unique         3.50, 3.50 A)
 &rst
  ixpk= 59, nxpk= 23, iat= 742, 725, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,  &end
#
#    0 AMB  23-2:60      47 ILE  HA          4.50    (#     60:23  Single Ambig)
 &rst
  ixpk= 60, nxpk= 23, iat=  -1, 725, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 733, 734, 756, 757,
 &end
#
#   47 ILE  HB           47 ILE  HA          3.50    (#     61:23  Unique         2.40, 2.40 A)
 &rst
  ixpk= 61, nxpk= 23, iat= 727, 725, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   25 THR  MG2          47 ILE  HA          5.50    (#     63:23  Unique         3.04, 3.99 A)
 &rst
  ixpk= 63, nxpk= 23, iat=  -1, 725, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 399, 400, 401,
 &end
#
#   47 ILE  MG2          47 ILE  HA          2.80    (#     64:23  Unique         2.39, 3.13 A)
 &rst
  ixpk= 64, nxpk= 23, iat=  -1, 725, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 729, 730, 731,
 &end
#
#    0 AMB  23-2:66      47 ILE  HA          2.80    (#     66:23  Single Ambig)
 &rst
  ixpk= 66, nxpk= 23, iat=  -1, 725, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 783, 784, 785, 787, 788, 789, 733, 734,
 &end
#
#   21 ILE  MG2          18 ILE  HA          5.60    (#     67:23  Unique         4.95, 5.41 A)
 &rst
  ixpk= 67, nxpk= 23, iat=  -1, 267, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 316, 317, 318,
 &end
#
#   21 ILE  MG2          47 ILE  HA          4.50    (#     68:23  Unique         3.82, 4.41 A)
 &rst
  ixpk= 68, nxpk= 23, iat=  -1, 725, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 316, 317, 318,
 &end
#
#   22 LEU  HN           21 ILE  HA          5.60    (#     69:23  Unique         3.51, 3.55 A)
 &rst
  ixpk= 69, nxpk= 23, iat= 329, 312, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,  &end
#
#   24 TYR  HN           21 ILE  HA          3.50    (#     70:23  Unique         3.31, 3.38 A)
 &rst
  ixpk= 70, nxpk= 23, iat= 372, 312, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  23-2:71       0 AMB  23-1:71     3.50    (#     71:23  Double Ambig)
 &rst
  ixpk= 71, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1298, 310,
 igr2=1300, 312,
 &end
#
#    0 AMB  23-2:72      21 ILE  HA          5.50    (#     72:23  Single Ambig)
 &rst
  ixpk= 72, nxpk= 23, iat=  -1, 312, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 393, 348,
 &end
#
#   24 TYR  HB-          21 ILE  HA          5.50    (#     74:23  Unique         2.00, 2.63 A)
 &rst
  ixpk= 74, nxpk= 23, iat=  -1, 312, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 376, 377,
 &end
#
#    0 AMB  23-2:75      21 ILE  HA          2.80    (#     75:23  Single Ambig)
 &rst
  ixpk= 75, nxpk= 23, iat=  -1, 312, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
 igr1= 320, 321, 323, 324, 325,
 &end
#
#   21 ILE  MG2          21 ILE  HA          4.50    (#     76:23  Unique         2.55, 3.19 A)
 &rst
  ixpk= 76, nxpk= 23, iat=  -1, 312, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 316, 317, 318,
 &end
#
#   88 ILE  HN           88 ILE  HA          3.50    (#     77:23  Unique         2.81, 2.82 A)
 &rst
  ixpk= 77, nxpk= 23, iat=1298,1300, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   14 VAL  HN           14 VAL  HA          5.50    (#     78:23  Unique         2.76, 2.78 A)
 &rst
  ixpk= 78, nxpk= 23, iat= 212, 214, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   91 ARG  HN           88 ILE  HA          5.50    (#     79:23  Unique         3.87, 3.95 A)
 &rst
  ixpk= 79, nxpk= 23, iat=1350,1300, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  23-2:80      14 VAL  HA          3.50    (#     80:23  Single Ambig)
 &rst
  ixpk= 80, nxpk= 23, iat=  -1, 214, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 216, 244, 245, 269,1285,1286,
 &end
#
#    0 AMB  23-2:81      88 ILE  HA          5.50    (#     81:23  Single Ambig)
 &rst
  ixpk= 81, nxpk= 23, iat=  -1,1300, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 216, 269,
 &end
#
#   92 LEU  HB+          88 ILE  HA          4.50    (#     82:23  Unique         4.43, 4.77 A)
 &rst
  ixpk= 82, nxpk= 23, iat=  -1,1300, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1378,1379,
 &end
#
#   17 ALA  MB           14 VAL  HA          4.50    (#     83:23  Unique         3.18, 4.22 A)
 &rst
  ixpk= 83, nxpk= 23, iat=  -1, 214, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 259, 260, 261,
 &end
#
#    0 AMB  23-2:84      14 VAL  HA          4.50    (#     84:23  Single Ambig)
 &rst
  ixpk= 84, nxpk= 23, iat=  -1, 214, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 218, 219, 220, 222, 223, 224, 218, 219, 220, 222,
       223, 224,
 &end
#
#    0 AMB  23-2:85      88 ILE  HA          3.50    (#     85:23  Single Ambig)
 &rst
  ixpk= 85, nxpk= 23, iat=  -1,1300, r1= 0.00, r2= 1.80, r3= 5.61, r4= 6.36,
 igr1= 218, 219, 220, 222, 223, 224, 218, 219, 220, 222,
       223, 224, 278, 279, 280,1308,1309,
 &end
#
#   88 ILE  MD1          88 ILE  HA          2.80    (#     86:23  Unique         2.00, 2.87 A)
 &rst
  ixpk= 86, nxpk= 23, iat=  -1,1300, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1311,1312,1313,
 &end
#
#   88 ILE  MG2          88 ILE  HA          3.50    (#     88:23  Unique         2.35, 3.10 A)
 &rst
  ixpk= 88, nxpk= 23, iat=  -1,1300, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1304,1305,1306,
 &end
#
#    0 AMB  23-2:90      96 VAL  HA          5.50    (#     90:23  Single Ambig)
 &rst
  ixpk= 90, nxpk= 23, iat=  -1,1458, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1472,1483,
 &end
#
#   96 VAL  HB           96 VAL  HA          3.50    (#     96:23  Unique         3.02, 3.02 A)
 &rst
  ixpk= 96, nxpk= 23, iat=1460,1458, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   96 VAL  MGX          96 VAL  HA          3.50    (#    100:23  Unique         2.38, 3.11 A)
 &rst
  ixpk= 100, nxpk= 23, iat=  -1,1458, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1462,1463,1464,1466,1467,1468,
 &end
#
#   86 GLN  HN           85 SER  HB+         4.50    (#    116:23  Unique         2.32, 3.35 A)
 &rst
  ixpk= 116, nxpk= 23, iat=1264,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1257,1258,
 &end
#
#    0 AMB  23-2:117      0 AMB  23-1:117    3.50    (#    117:23  Double Ambig)
 &rst
  ixpk= 117, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1253,1230,
 igr2=1257,1258,1257,1258,
 &end
#
#    0 AMB  23-2:118      0 AMB  23-1:118    4.50    (#    118:23  Double Ambig)
 &rst
  ixpk= 118, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1472,1483,
 igr2=1476,1477,1476,1477,
 &end
#
#   42 ARG  HA           85 SER  HB+         5.50    (#    120:23  Unique         2.02, 3.74 A)
 &rst
  ixpk= 120, nxpk= 23, iat= 632,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1257,1258,
 &end
#
#    0 AMB  23-2:121      0 AMB  23-1:121    5.50    (#    121:23  Double Ambig)
 &rst
  ixpk= 121, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 658,1268,1269,
 igr2=1257,1258,1257,1258,
 &end
#
#   42 ARG  HG+          85 SER  HB+         4.50    (#    122:23  Unique         3.30, 4.88 A)
 &rst
  ixpk= 122, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 637, 638,
 igr2=1257,1258,
 &end
#
#   38 SER  HN            0 AMB  23-1:126    3.50    (#    126:23  Single Ambig)
 &rst
  ixpk= 126, nxpk= 23, iat= 591,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 595, 596, 595, 596,
 &end
#
#   39 THR  HN           38 SER  HB+         3.50    (#    128:23  Unique         2.36, 2.91 A)
 &rst
  ixpk= 128, nxpk= 23, iat= 602,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 595, 596,
 &end
#
#   53 LYS  HN           52 SER  HB+         4.50    (#    129:23  Unique         2.21, 3.31 A)
 &rst
  ixpk= 129, nxpk= 23, iat= 823,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 816, 817,
 &end
#
#   38 SER  HA            0 AMB  23-1:131    3.50    (#    131:23  Single Ambig)
 &rst
  ixpk= 131, nxpk= 23, iat= 593,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 595, 596, 595, 596,
 &end
#
#   52 SER  HA           52 SER  HB+         3.50    (#    132:23  Unique         2.26, 2.74 A)
 &rst
  ixpk= 132, nxpk= 23, iat= 814,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 816, 817,
 &end
#
#   52 SER  HN           52 SER  HB+         4.50    (#    133:23  Unique         2.09, 2.68 A)
 &rst
  ixpk= 133, nxpk= 23, iat= 812,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 816, 817,
 &end
#
#    0 AMB  23-2:135      0 AMB  23-1:135    5.50    (#    135:23  Double Ambig)
 &rst
  ixpk= 135, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 713,1154,
 igr2= 696,1118,
 &end
#
#   76 VAL  HN           76 VAL  HA          5.60    (#    136:23  Unique         2.77, 2.90 A)
 &rst
  ixpk= 136, nxpk= 23, iat=1116,1118, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,  &end
#
#   48 ALA  HN           45 ILE  HA          5.50    (#    137:23  Unique         3.54, 3.57 A)
 &rst
  ixpk= 137, nxpk= 23, iat= 742, 696, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   45 ILE  HN           45 ILE  HA          4.50    (#    138:23  Unique         2.82, 2.83 A)
 &rst
  ixpk= 138, nxpk= 23, iat= 694, 696, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  23-2:139     45 ILE  HA          4.50    (#    139:23  Single Ambig)
 &rst
  ixpk= 139, nxpk= 23, iat=  -1, 696, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 698, 756, 757, 634, 635,
 &end
#
#    0 AMB  23-2:140     45 ILE  HA          4.50    (#    140:23  Single Ambig)
 &rst
  ixpk= 140, nxpk= 23, iat=  -1, 696, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
 igr1= 746, 747, 748, 677, 678, 762, 763,
 &end
#
#    0 AMB  23-2:141      0 AMB  23-1:141    4.50    (#    141:23  Double Ambig)
 &rst
  ixpk= 141, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 704, 705,1139,1140,
 igr2= 696,1118,
 &end
#
#   45 ILE  MG2          45 ILE  HA          4.50    (#    142:23  Unique         2.41, 3.05 A)
 &rst
  ixpk= 142, nxpk= 23, iat=  -1, 696, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 700, 701, 702,
 &end
#
#   45 ILE  MD1          45 ILE  HA          4.50    (#    143:23  Unique         4.49, 4.67 A)
 &rst
  ixpk= 143, nxpk= 23, iat=  -1, 696, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 707, 708, 709,
 &end
#
#   10 ASN  HN            9 VAL  HA          5.50    (#    144:23  Unique         2.14, 2.78 A)
 &rst
  ixpk= 144, nxpk= 23, iat= 142, 128, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    9 VAL  HN            9 VAL  HA          5.50    (#    145:23  Unique         2.28, 2.85 A)
 &rst
  ixpk= 145, nxpk= 23, iat= 126, 128, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   77 LYS  HN           76 VAL  HA          4.50    (#    146:23  Unique         2.28, 2.72 A)
 &rst
  ixpk= 146, nxpk= 23, iat=1132,1118, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    9 VAL  HB            9 VAL  HA          4.50    (#    148:23  Unique         2.42, 2.56 A)
 &rst
  ixpk= 148, nxpk= 23, iat= 130, 128, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   76 VAL  HB           76 VAL  HA          4.50    (#    149:23  Unique         2.40, 2.46 A)
 &rst
  ixpk= 149, nxpk= 23, iat=1120,1118, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  23-2:151      9 VAL  HA          4.50    (#    151:23  Single Ambig)
 &rst
  ixpk= 151, nxpk= 23, iat=  -1, 128, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 132, 133, 134, 136, 137, 138, 132, 133, 134, 136,
       137, 138,
 &end
#
#    0 AMB  23-2:152     76 VAL  HA          4.50    (#    152:23  Single Ambig)
 &rst
  ixpk= 152, nxpk= 23, iat=  -1,1118, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1122,1123,1124,1126,1127,1128,1122,1123,1124,1126,
      1127,1128,
 &end
#
#   56 SER  HN           55 THR  HA          5.60    (#    155:23  Unique         2.14, 2.86 A)
 &rst
  ixpk= 155, nxpk= 23, iat= 876, 864, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,  &end
#
#    0 AMB  23-2:157     85 SER  HA          4.50    (#    157:23  Single Ambig)
 &rst
  ixpk= 157, nxpk= 23, iat=  -1,1255, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1253,1281,
 &end
#
#   55 THR  HN           55 THR  HA          5.60    (#    158:23  Unique         2.28, 2.82 A)
 &rst
  ixpk= 158, nxpk= 23, iat= 862, 864, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,  &end
#
#    0 AMB  23-2:159     85 SER  HA          4.50    (#    159:23  Single Ambig)
 &rst
  ixpk= 159, nxpk= 23, iat=  -1,1255, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1302,1321,1322,
 &end
#
#   55 THR  MG2          55 THR  HA          3.50    (#    160:23  Unique         2.02, 3.58 A)
 &rst
  ixpk= 160, nxpk= 23, iat=  -1, 864, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 868, 869, 870,
 &end
#
#   43 VAL  MGX          85 SER  HA          5.50    (#    161:23  Unique         3.38, 6.95 A)
 &rst
  ixpk= 161, nxpk= 23, iat=  -1,1255, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 660, 661, 662, 664, 665, 666,
 &end
#
#   25 THR  HN           25 THR  HA          4.50    (#    163:23  Unique         2.87, 2.88 A)
 &rst
  ixpk= 163, nxpk= 23, iat= 393, 395, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   25 THR  MG2          25 THR  HA          4.50    (#    164:23  Unique         2.04, 2.85 A)
 &rst
  ixpk= 164, nxpk= 23, iat=  -1, 395, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 399, 400, 401,
 &end
#
#   51 LEU  MDY          25 THR  HA          4.50    (#    165:23  Unique         3.35, 5.17 A)
 &rst
  ixpk= 165, nxpk= 23, iat=  -1, 395, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 802, 803, 804, 806, 807, 808,
 &end
#
#   39 THR  HN           39 THR  HA          5.50    (#    166:23  Unique         2.82, 2.82 A)
 &rst
  ixpk= 166, nxpk= 23, iat= 602, 604, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   39 THR  MG2          39 THR  HA          4.50    (#    168:23  Unique         2.29, 3.00 A)
 &rst
  ixpk= 168, nxpk= 23, iat=  -1, 604, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 608, 609, 610,
 &end
#
#   29 GLU  HN           29 GLU  HA          5.50    (#    169:23  Unique         2.76, 2.80 A)
 &rst
  ixpk= 169, nxpk= 23, iat= 446, 448, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   32 PHE  HB+          29 GLU  HA          4.50    (#    170:23  Unique         3.24, 3.51 A)
 &rst
  ixpk= 170, nxpk= 23, iat=  -1, 448, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 499, 500,
 &end
#
#   30 GLN  HG-          29 GLU  HA          5.50    (#    171:23  Unique         5.18, 5.72 A)
 &rst
  ixpk= 171, nxpk= 23, iat=  -1, 448, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 468, 469,
 &end
#
#   22 LEU  MDY          29 GLU  HA          4.50    (#    173:23  Unique         2.84, 4.46 A)
 &rst
  ixpk= 173, nxpk= 23, iat=  -1, 448, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#   92 LEU  MDY          29 GLU  HA          5.50    (#    174:23  Unique         4.07, 5.81 A)
 &rst
  ixpk= 174, nxpk= 23, iat=  -1, 448, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1383,1384,1385,1387,1388,1389,
 &end
#
#   24 TYR  HN           24 TYR  HA          4.50    (#    175:23  Unique         2.76, 2.76 A)
 &rst
  ixpk= 175, nxpk= 23, iat= 372, 374, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   38 SER  HN           38 SER  HA          4.50    (#    176:23  Unique         2.80, 2.89 A)
 &rst
  ixpk= 176, nxpk= 23, iat= 591, 593, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   39 THR  HN           38 SER  HA          5.50    (#    177:23  Unique         3.55, 3.56 A)
 &rst
  ixpk= 177, nxpk= 23, iat= 602, 593, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  23-2:179     38 SER  HA          3.50    (#    179:23  Single Ambig)
 &rst
  ixpk= 179, nxpk= 23, iat=  -1, 593, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 595, 596, 595, 596,
 &end
#
#   24 TYR  HB+          24 TYR  HA          4.50    (#    180:23  Unique         2.39, 2.76 A)
 &rst
  ixpk= 180, nxpk= 23, iat=  -1, 374, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 376, 377,
 &end
#
#   24 TYR  HB-          24 TYR  HA          4.50    (#    181:23  Unique         2.39, 2.76 A)
 &rst
  ixpk= 181, nxpk= 23, iat=  -1, 374, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 376, 377,
 &end
#
#   44 ARG  HN           44 ARG  HA          4.50    (#    183:23  Unique         2.75, 2.79 A)
 &rst
  ixpk= 183, nxpk= 23, iat= 670, 672, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  23-2:184     44 ARG  HA          4.50    (#    184:23  Single Ambig)
 &rst
  ixpk= 184, nxpk= 23, iat=  -1, 672, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 723, 654,
 &end
#
#   93 ARG  HN           93 ARG  HA          4.50    (#    186:23  Unique         2.82, 2.84 A)
 &rst
  ixpk= 186, nxpk= 23, iat=1393,1395, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  23-2:187      0 AMB  23-1:187    4.50    (#    187:23  Double Ambig)
 &rst
  ixpk= 187, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 812, 393, 348,
 igr2= 814, 374,
 &end
#
#   53 LYS  HN           52 SER  HA          5.50    (#    188:23  Unique         3.44, 3.51 A)
 &rst
  ixpk= 188, nxpk= 23, iat= 823, 814, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   93 ARG  HD+          93 ARG  HA          4.50    (#    192:23  Unique         4.30, 4.44 A)
 &rst
  ixpk= 192, nxpk= 23, iat=  -1,1395, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1403,1404,
 &end
#
#   96 VAL  HB           93 ARG  HA          4.50    (#    193:23  Unique         3.14, 3.18 A)
 &rst
  ixpk= 193, nxpk= 23, iat=1460,1395, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  23-2:195     93 ARG  HA          3.50    (#    195:23  Single Ambig)
 &rst
  ixpk= 195, nxpk= 23, iat=  -1,1395, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1400,1401,1397,1398,
 &end
#
#   44 ARG  HB-          44 ARG  HA          3.50    (#    196:23  Unique         2.39, 2.45 A)
 &rst
  ixpk= 196, nxpk= 23, iat=  -1, 672, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 674, 675,
 &end
#
#   44 ARG  HG+          44 ARG  HA          4.50    (#    197:23  Unique         3.59, 3.77 A)
 &rst
  ixpk= 197, nxpk= 23, iat=  -1, 672, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 677, 678,
 &end
#
#   93 ARG  HG-          93 ARG  HA          4.50    (#    198:23  Unique         2.34, 2.53 A)
 &rst
  ixpk= 198, nxpk= 23, iat=  -1,1395, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1400,1401,
 &end
#
#   43 VAL  MGY          44 ARG  HA          5.50    (#    199:23  Unique         3.09, 4.60 A)
 &rst
  ixpk= 199, nxpk= 23, iat=  -1, 672, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 660, 661, 662, 664, 665, 666,
 &end
#
#   47 ILE  MD1          44 ARG  HA          4.50    (#    200:23  Unique         2.10, 3.02 A)
 &rst
  ixpk= 200, nxpk= 23, iat=  -1, 672, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 736, 737, 738,
 &end
#
#   34 GLU  HN           30 GLN  HA          4.50    (#    201:23  Unique         3.78, 3.84 A)
 &rst
  ixpk= 201, nxpk= 23, iat= 534, 463, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  23-2:202     83 SER  HA          5.50    (#    202:23  Single Ambig)
 &rst
  ixpk= 202, nxpk= 23, iat=  -1,1232, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1230,1253,1218,
 &end
#
#    0 AMB  23-2:203     97 SER  HA          4.50    (#    203:23  Single Ambig)
 &rst
  ixpk= 203, nxpk= 23, iat=  -1,1474, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1472,1483,
 &end
#
#   31 GLN  HN           30 GLN  HA          5.50    (#    204:23  Unique         3.54, 3.55 A)
 &rst
  ixpk= 204, nxpk= 23, iat= 478, 463, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   97 SER  HB+          97 SER  HA          3.50    (#    205:23  Unique         2.31, 2.77 A)
 &rst
  ixpk= 205, nxpk= 23, iat=  -1,1474, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1476,1477,
 &end
#
#    0 AMB  23-2:206     97 SER  HA          5.50    (#    206:23  Single Ambig)
 &rst
  ixpk= 206, nxpk= 23, iat=  -1,1474, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1462,1463,1464,1466,1467,1468,1462,1463,1464,1466,
      1467,1468,
 &end
#
#    0 AMB  23-2:207     30 GLN  HA          3.50    (#    207:23  Single Ambig)
 &rst
  ixpk= 207, nxpk= 23, iat=  -1, 463, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1462,1463,1464,1466,1467,1468,1462,1463,1464,1466,
      1467,1468,
 &end
#
#   29 GLU  HN           28 THR  HA          4.50    (#    208:23  Unique         2.48, 2.62 A)
 &rst
  ixpk= 208, nxpk= 23, iat= 446, 434, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   37 GLU  HN           34 GLU  HA          3.50    (#    209:23  Unique         3.37, 3.43 A)
 &rst
  ixpk= 209, nxpk= 23, iat= 576, 536, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   33 LEU  HN           30 GLN  HA          3.50    (#    210:23  Unique         3.50, 3.51 A)
 &rst
  ixpk= 210, nxpk= 23, iat= 515, 463, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   30 GLN  HN           28 THR  HA          5.60    (#    211:23  Unique         4.57, 4.79 A)
 &rst
  ixpk= 211, nxpk= 23, iat= 461, 434, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,  &end
#
#   30 GLN  HN           30 GLN  HA          4.50    (#    212:23  Unique         2.79, 2.80 A)
 &rst
  ixpk= 212, nxpk= 23, iat= 461, 463, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   13 GLU  HN           13 GLU  HA          4.50    (#    213:23  Unique         2.76, 2.78 A)
 &rst
  ixpk= 213, nxpk= 23, iat= 197, 199, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   28 THR  HN           28 THR  HA          5.50    (#    214:23  Unique         2.94, 2.95 A)
 &rst
  ixpk= 214, nxpk= 23, iat= 432, 434, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   84 ASP  HN           83 SER  HA          4.50    (#    215:23  Unique         2.15, 2.64 A)
 &rst
  ixpk= 215, nxpk= 23, iat=1241,1232, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   34 GLU  HN           34 GLU  HA          4.50    (#    216:23  Unique         2.85, 2.85 A)
 &rst
  ixpk= 216, nxpk= 23, iat= 534, 536, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  23-2:217     83 SER  HA          5.50    (#    217:23  Single Ambig)
 &rst
  ixpk= 217, nxpk= 23, iat=  -1,1232, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1230,1253,1218,
 &end
#
#    0 AMB  23-2:220     28 THR  HA          5.50    (#    220:23  Single Ambig)
 &rst
  ixpk= 220, nxpk= 23, iat=  -1, 434, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 482, 483, 468, 469,
 &end
#
#   30 GLN  HG-          30 GLN  HA          4.50    (#    221:23  Unique         2.53, 3.02 A)
 &rst
  ixpk= 221, nxpk= 23, iat=  -1, 463, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 468, 469,
 &end
#
#   22 LEU  HG           28 THR  HA          5.50    (#    222:23  Unique         4.30, 4.63 A)
 &rst
  ixpk= 222, nxpk= 23, iat= 336, 434, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   33 LEU  HG           97 SER  HA          5.60    (#    225:23  Unique         5.63, 5.64 A)
 &rst
  ixpk= 225, nxpk= 23, iat= 522,1474, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,  &end
#
#   33 LEU  HB-          30 GLN  HA          4.50    (#    226:23  Unique         2.83, 2.93 A)
 &rst
  ixpk= 226, nxpk= 23, iat=  -1, 463, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 519, 520,
 &end
#
#   28 THR  MG2          28 THR  HA          4.50    (#    227:23  Unique         2.01, 3.01 A)
 &rst
  ixpk= 227, nxpk= 23, iat=  -1, 434, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 438, 439, 440,
 &end
#
#   22 LEU  MDX          28 THR  HA          5.50    (#    228:23  Unique         2.51, 4.11 A)
 &rst
  ixpk= 228, nxpk= 23, iat=  -1, 434, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#   22 LEU  MDY          28 THR  HA          5.50    (#    229:23  Unique         2.51, 4.11 A)
 &rst
  ixpk= 229, nxpk= 23, iat=  -1, 434, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#    0 AMB  23-2:230     37 GLU  HA          4.50    (#    230:23  Single Ambig)
 &rst
  ixpk= 230, nxpk= 23, iat=  -1, 578, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 576, 623,
 &end
#
#   95 ARG  HN           95 ARG  HA          4.50    (#    231:23  Unique         2.77, 2.82 A)
 &rst
  ixpk= 231, nxpk= 23, iat=1432,1434, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  23-2:232      0 AMB  23-1:232    4.50    (#    232:23  Double Ambig)
 &rst
  ixpk= 232, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1336, 296, 265,
 igr2=1283, 242,
 &end
#
#    0 AMB  23-2:233      0 AMB  23-1:233    3.50    (#    233:23  Double Ambig)
 &rst
  ixpk= 233, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1281, 752, 774,1298,
 igr2=1283, 754,
 &end
#
#   38 SER  HN           37 GLU  HA          5.50    (#    234:23  Unique         3.47, 3.48 A)
 &rst
  ixpk= 234, nxpk= 23, iat= 591, 578, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   16 GLU  HN            0 AMB  23-1:235    3.50    (#    235:23  Single Ambig)
 &rst
  ixpk= 235, nxpk= 23, iat= 240,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 242, 199,
 &end
#
#   17 ALA  HN            0 AMB  23-1:236    5.50    (#    236:23  Single Ambig)
 &rst
  ixpk= 236, nxpk= 23, iat= 255,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 242, 199,
 &end
#
#    0 AMB  23-2:240      0 AMB  23-1:240    4.50    (#    240:23  Double Ambig)
 &rst
  ixpk= 240, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1340,1341, 146, 147, 146, 147,
 igr2=1283, 199,
 &end
#
#   19 ASP  HB-          16 GLU  HA          4.50    (#    241:23  Unique         2.55, 3.24 A)
 &rst
  ixpk= 241, nxpk= 23, iat=  -1, 242, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 288, 289,
 &end
#
#    0 AMB  23-2:244      0 AMB  23-1:244    4.50    (#    244:23  Double Ambig)
 &rst
  ixpk= 244, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1424,1425, 583, 584,
 igr2=1419, 536,
 &end
#
#    0 AMB  23-2:245     95 ARG  HA          4.50    (#    245:23  Single Ambig)
 &rst
  ixpk= 245, nxpk= 23, iat=  -1,1434, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1436,1437,1424,1425,
 &end
#
#    0 AMB  23-2:247      0 AMB  23-1:247    3.50    (#    247:23  Double Ambig)
 &rst
  ixpk= 247, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1285,1286, 201, 202, 244, 245, 244, 245,
 igr2=1283, 199, 242,
 &end
#
#   37 GLU  HB+          37 GLU  HA          3.50    (#    248:23  Unique         2.38, 2.73 A)
 &rst
  ixpk= 248, nxpk= 23, iat=  -1, 578, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 580, 581,
 &end
#
#    0 AMB  23-2:249     95 ARG  HA          3.50    (#    249:23  Single Ambig)
 &rst
  ixpk= 249, nxpk= 23, iat=  -1,1434, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1439,1440,1436,1437,
 &end
#
#    0 AMB  23-2:250     49 LYS  HA          4.50    (#    250:23  Single Ambig)
 &rst
  ixpk= 250, nxpk= 23, iat=  -1, 754, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 759, 760, 762, 763,
 &end
#
#    0 AMB  23-2:251      0 AMB  23-1:251    5.50    (#    251:23  Double Ambig)
 &rst
  ixpk= 251, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.58, r4=10.33,
 igr1= 218, 219, 220, 222, 223, 224, 218, 219, 220, 222,
       223, 224,1308,1309,
 igr2=1283, 199,
 &end
#
#   89 LEU  MDX          37 GLU  HA          4.50    (#    252:23  Unique         2.11, 3.62 A)
 &rst
  ixpk= 252, nxpk= 23, iat=  -1, 578, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1326,1327,1328,1330,1331,1332,
 &end
#
#   89 LEU  MDY          37 GLU  HA          4.50    (#    253:23  Unique         2.11, 3.62 A)
 &rst
  ixpk= 253, nxpk= 23, iat=  -1, 578, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1326,1327,1328,1330,1331,1332,
 &end
#
#   19 ASP  HN           16 GLU  HA          3.50    (#    254:23  Unique         3.52, 3.53 A)
 &rst
  ixpk= 254, nxpk= 23, iat= 284, 242, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   13 GLU  HN           12 ARG  HA          5.50    (#    255:23  Unique         3.48, 3.55 A)
 &rst
  ixpk= 255, nxpk= 23, iat= 197, 175, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   24 TYR  HN           23 ARG  HA          4.50    (#    256:23  Unique         3.50, 3.50 A)
 &rst
  ixpk= 256, nxpk= 23, iat= 372, 350, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   16 GLU  HN           12 ARG  HA          5.50    (#    257:23  Unique         3.77, 4.10 A)
 &rst
  ixpk= 257, nxpk= 23, iat= 240, 175, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  23-2:258     94 GLU  HA          5.50    (#    258:23  Single Ambig)
 &rst
  ixpk= 258, nxpk= 23, iat=  -1,1419, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1483,1472,
 &end
#
#    0 AMB  23-2:259     23 ARG  HA          4.50    (#    259:23  Single Ambig)
 &rst
  ixpk= 259, nxpk= 23, iat=  -1, 350, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 348, 393,
 &end
#
#   94 GLU  HN           94 GLU  HA          4.50    (#    260:23  Unique         2.80, 2.81 A)
 &rst
  ixpk= 260, nxpk= 23, iat=1417,1419, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  23-2:261      0 AMB  23-1:261    4.50    (#    261:23  Double Ambig)
 &rst
  ixpk= 261, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 183, 184, 358, 359,
 igr2= 175, 350,
 &end
#
#    0 AMB  23-2:263      0 AMB  23-1:263    5.50    (#    263:23  Double Ambig)
 &rst
  ixpk= 263, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 232, 233, 411, 412,
 igr2= 175, 350,
 &end
#
#   94 GLU  HG-          94 GLU  HA          4.50    (#    264:23  Unique         2.57, 3.19 A)
 &rst
  ixpk= 264, nxpk= 23, iat=  -1,1419, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1424,1425,
 &end
#
#   12 ARG  HB+          12 ARG  HA          3.50    (#    265:23  Unique         2.35, 2.65 A)
 &rst
  ixpk= 265, nxpk= 23, iat=  -1, 175, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 177, 178,
 &end
#
#   12 ARG  HG+          12 ARG  HA          4.50    (#    266:23  Unique         2.43, 3.49 A)
 &rst
  ixpk= 266, nxpk= 23, iat=  -1, 175, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 180, 181,
 &end
#
#   50 LEU  MDY          31 GLN  HA          5.50    (#    267:23  Unique         5.32, 6.80 A)
 &rst
  ixpk= 267, nxpk= 23, iat=  -1, 480, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 783, 784, 785, 787, 788, 789,
 &end
#
#   37 GLU  HN           33 LEU  HA          4.50    (#    268:23  Unique         3.94, 4.03 A)
 &rst
  ixpk= 268, nxpk= 23, iat= 576, 517, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   33 LEU  HN           33 LEU  HA          3.50    (#    269:23  Unique         2.76, 2.76 A)
 &rst
  ixpk= 269, nxpk= 23, iat= 515, 517, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   92 LEU  HN           89 LEU  HA          3.50    (#    270:23  Unique         3.51, 3.53 A)
 &rst
  ixpk= 270, nxpk= 23, iat=1374,1319, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   32 PHE  HN           31 GLN  HA          4.50    (#    271:23  Unique         3.54, 3.55 A)
 &rst
  ixpk= 271, nxpk= 23, iat= 495, 480, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   36 MET  HN           33 LEU  HA          5.50    (#    272:23  Unique         3.95, 3.98 A)
 &rst
  ixpk= 272, nxpk= 23, iat= 559, 517, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   90 ASN  HN           89 LEU  HA          4.50    (#    274:23  Unique         3.56, 3.57 A)
 &rst
  ixpk= 274, nxpk= 23, iat=1336,1319, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   34 GLU  HN           31 GLN  HA          4.50    (#    275:23  Unique         3.90, 3.94 A)
 &rst
  ixpk= 275, nxpk= 23, iat= 534, 480, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  23-2:276     33 LEU  HA          3.50    (#    276:23  Single Ambig)
 &rst
  ixpk= 276, nxpk= 23, iat=  -1, 517, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 534,1456,
 &end
#
#   31 GLN  HN           31 GLN  HA          4.50    (#    278:23  Unique         2.78, 2.78 A)
 &rst
  ixpk= 278, nxpk= 23, iat= 478, 480, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   75 SER  HB+          75 SER  HA          4.50    (#    279:23  Unique         2.29, 2.72 A)
 &rst
  ixpk= 279, nxpk= 23, iat=  -1,1107, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1109,1110,
 &end
#
#    0 AMB  23-2:280     31 GLN  HA          3.50    (#    280:23  Single Ambig)
 &rst
  ixpk= 280, nxpk= 23, iat=  -1, 480, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 485, 486, 468, 469,
 &end
#
#    0 AMB  23-2:281     33 LEU  HA          4.50    (#    281:23  Single Ambig)
 &rst
  ixpk= 281, nxpk= 23, iat=  -1, 517, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 563, 564, 583, 584,
 &end
#
#    0 AMB  23-2:282     33 LEU  HA          4.50    (#    282:23  Single Ambig)
 &rst
  ixpk= 282, nxpk= 23, iat=  -1, 517, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
 igr1= 519, 520, 580, 581, 566, 567,1460,
 &end
#
#    0 AMB  23-2:283     33 LEU  HA          3.50    (#    283:23  Single Ambig)
 &rst
  ixpk= 283, nxpk= 23, iat=  -1, 517, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1381, 522, 563, 564,
 &end
#
#    0 AMB  23-2:284     89 LEU  HA          3.50    (#    284:23  Single Ambig)
 &rst
  ixpk= 284, nxpk= 23, iat=  -1,1319, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1= 563, 564, 566, 567,1381,
 &end
#
#   33 LEU  HB-          33 LEU  HA          3.50    (#    285:23  Unique         2.64, 2.81 A)
 &rst
  ixpk= 285, nxpk= 23, iat=  -1, 517, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 519, 520,
 &end
#
#   33 LEU  MDY          33 LEU  HA          2.80    (#    286:23  Unique         2.26, 3.86 A)
 &rst
  ixpk= 286, nxpk= 23, iat=  -1, 517, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 524, 525, 526, 528, 529, 530,
 &end
#
#    0 AMB  23-2:287     75 SER  HA          5.50    (#    287:23  Single Ambig)
 &rst
  ixpk= 287, nxpk= 23, iat=  -1,1107, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1095,1096,1097,1099,1100,1101,1122,1123,1124,1126,
      1127,1128,1122,1123,1124,1126,1127,1128,
 &end
#
#   92 LEU  MDX          33 LEU  HA          2.80    (#    288:23  Unique         2.10, 3.41 A)
 &rst
  ixpk= 288, nxpk= 23, iat=  -1, 517, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1383,1384,1385,1387,1388,1389,
 &end
#
#   92 LEU  MDY          33 LEU  HA          3.50    (#    289:23  Unique         2.10, 3.41 A)
 &rst
  ixpk= 289, nxpk= 23, iat=  -1, 517, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1383,1384,1385,1387,1388,1389,
 &end
#
#   22 LEU  HN           22 LEU  HA          3.50    (#    290:23  Unique         2.77, 2.78 A)
 &rst
  ixpk= 290, nxpk= 23, iat= 329, 331, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   63 LYS  HN           62 SER  HA          4.50    (#    291:23  Unique         2.14, 2.39 A)
 &rst
  ixpk= 291, nxpk= 23, iat= 937, 928, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   75 SER  HN           75 SER  HA          5.50    (#    292:23  Unique         2.28, 2.77 A)
 &rst
  ixpk= 292, nxpk= 23, iat=1105,1107, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   96 VAL  HN           92 LEU  HA          5.60    (#    293:23  Unique         3.51, 3.63 A)
 &rst
  ixpk= 293, nxpk= 23, iat=1456,1376, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,  &end
#
#   89 LEU  HN           89 LEU  HA          3.50    (#    294:23  Unique         2.80, 2.81 A)
 &rst
  ixpk= 294, nxpk= 23, iat=1317,1319, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  100 THR  HN           99 SER  HA          4.50    (#    295:23  Unique         2.19, 2.72 A)
 &rst
  ixpk= 295, nxpk= 23, iat=1501,1492, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  23-2:296     22 LEU  HA          4.50    (#    296:23  Single Ambig)
 &rst
  ixpk= 296, nxpk= 23, iat=  -1, 331, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 421, 310,
 &end
#
#   93 ARG  HN           89 LEU  HA          4.50    (#    297:23  Unique         4.05, 4.11 A)
 &rst
  ixpk= 297, nxpk= 23, iat=1393,1319, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   76 VAL  HN           75 SER  HA          4.50    (#    298:23  Unique         2.14, 2.46 A)
 &rst
  ixpk= 298, nxpk= 23, iat=1116,1107, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  23-2:299     22 LEU  HA          5.50    (#    299:23  Single Ambig)
 &rst
  ixpk= 299, nxpk= 23, iat=  -1, 331, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 348, 393,
 &end
#
#   56 SER  HB+          56 SER  HA          3.50    (#    301:23  Unique         2.26, 2.76 A)
 &rst
  ixpk= 301, nxpk= 23, iat=  -1, 878, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 880, 881,
 &end
#
#   62 SER  HB+          62 SER  HA          3.50    (#    302:23  Unique         2.26, 2.67 A)
 &rst
  ixpk= 302, nxpk= 23, iat=  -1, 928, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 930, 931,
 &end
#
#   22 LEU  HG           22 LEU  HA          5.50    (#    303:23  Unique         3.51, 3.52 A)
 &rst
  ixpk= 303, nxpk= 23, iat= 336, 331, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   31 GLN  HB-          31 GLN  HA          4.50    (#    305:23  Unique         2.39, 2.73 A)
 &rst
  ixpk= 305, nxpk= 23, iat=  -1, 480, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 482, 483,
 &end
#
#    0 AMB  23-2:306     89 LEU  HA          3.50    (#    306:23  Single Ambig)
 &rst
  ixpk= 306, nxpk= 23, iat=  -1,1319, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1378,1379,1400,1401,
 &end
#
#   22 LEU  HB-          22 LEU  HA          4.50    (#    307:23  Unique         2.32, 2.66 A)
 &rst
  ixpk= 307, nxpk= 23, iat=  -1, 331, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 333, 334,
 &end
#
#    0 AMB  23-2:309     89 LEU  HA          3.50    (#    309:23  Single Ambig)
 &rst
  ixpk= 309, nxpk= 23, iat=  -1,1319, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1324,1321,1322,
 &end
#
#   25 THR  MG2          22 LEU  HA          5.60    (#    310:23  Unique         5.72, 6.44 A)
 &rst
  ixpk= 310, nxpk= 23, iat=  -1, 331, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 399, 400, 401,
 &end
#
#   22 LEU  MDX          22 LEU  HA          2.80    (#    311:23  Unique         2.22, 3.87 A)
 &rst
  ixpk= 311, nxpk= 23, iat=  -1, 331, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#    4 ILE  MD1           3 SER  HA          3.50    (#    312:23  Unique         2.92, 4.24 A)
 &rst
  ixpk= 312, nxpk= 23, iat=  -1,  33, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=  55,  56,  57,
 &end
#
#    0 AMB  23-2:313     89 LEU  HA          2.80    (#    313:23  Single Ambig)
 &rst
  ixpk= 313, nxpk= 23, iat=  -1,1319, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1326,1327,1328,1330,1331,1332,1304,1305,1306,
 &end
#
#   22 LEU  MDY          22 LEU  HA          4.50    (#    314:23  Unique         2.22, 3.87 A)
 &rst
  ixpk= 314, nxpk= 23, iat=  -1, 331, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#   92 LEU  MDY          89 LEU  HA          3.50    (#    315:23  Unique         2.87, 4.93 A)
 &rst
  ixpk= 315, nxpk= 23, iat=  -1,1319, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1383,1384,1385,1387,1388,1389,
 &end
#
#   21 ILE  MG2          22 LEU  HA          5.50    (#    316:23  Unique         3.21, 4.34 A)
 &rst
  ixpk= 316, nxpk= 23, iat=  -1, 331, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 316, 317, 318,
 &end
#
#   92 LEU  HN           92 LEU  HA          4.50    (#    317:23  Unique         2.83, 2.83 A)
 &rst
  ixpk= 317, nxpk= 23, iat=1374,1376, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   86 GLN  HN           86 GLN  HA          3.50    (#    318:23  Unique         2.76, 2.77 A)
 &rst
  ixpk= 318, nxpk= 23, iat=1264,1266, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   95 ARG  HN           92 LEU  HA          5.50    (#    319:23  Unique         3.60, 3.71 A)
 &rst
  ixpk= 319, nxpk= 23, iat=1432,1376, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  23-2:320     19 ASP  HA          5.60    (#    320:23  Single Ambig)
 &rst
  ixpk= 320, nxpk= 23, iat=  -1, 286, r1= 0.00, r2= 1.80, r3= 6.29, r4= 7.04,
 igr1= 296, 265,
 &end
#
#  103 SER  HN          103 SER  HA          4.50    (#    321:23  Unique         2.28, 2.88 A)
 &rst
  ixpk= 321, nxpk= 23, iat=1542,1544, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   89 LEU  HN           86 GLN  HA          3.50    (#    322:23  Unique         3.50, 3.51 A)
 &rst
  ixpk= 322, nxpk= 23, iat=1317,1266, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   93 ARG  HN           92 LEU  HA          5.60    (#    324:23  Unique         3.51, 3.53 A)
 &rst
  ixpk= 324, nxpk= 23, iat=1393,1376, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,  &end
#
#    0 AMB  23-2:325      0 AMB  23-1:325    5.50    (#    325:23  Double Ambig)
 &rst
  ixpk= 325, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1553, 240,
 igr2=1544, 230,
 &end
#
#   95 ARG  HD-          92 LEU  HA          5.50    (#    327:23  Unique         2.74, 4.37 A)
 &rst
  ixpk= 327, nxpk= 23, iat=  -1,1376, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1442,1443,
 &end
#
#    0 AMB  23-2:328     15 ASP  HA          4.50    (#    328:23  Single Ambig)
 &rst
  ixpk= 328, nxpk= 23, iat=  -1, 230, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 232, 233, 288, 289,
 &end
#
#   18 ILE  HB           15 ASP  HA          4.50    (#    329:23  Unique         2.73, 2.75 A)
 &rst
  ixpk= 329, nxpk= 23, iat= 269, 230, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  23-2:330     92 LEU  HA          4.50    (#    330:23  Single Ambig)
 &rst
  ixpk= 330, nxpk= 23, iat=  -1,1376, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1378,1379,1357,1358,
 &end
#
#    0 AMB  23-2:332     15 ASP  HA          4.50    (#    332:23  Single Ambig)
 &rst
  ixpk= 332, nxpk= 23, iat=  -1, 230, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 278, 279, 280, 218, 219, 220, 222, 223, 224, 218,
       219, 220, 222, 223, 224, 271, 272, 273,
 &end
#
#    0 AMB  23-2:333     92 LEU  HA          4.50    (#    333:23  Single Ambig)
 &rst
  ixpk= 333, nxpk= 23, iat=  -1,1376, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1462,1463,1464,1466,1467,1468, 278, 279, 280, 271,
       272, 273,
 &end
#
#   92 LEU  MDX          92 LEU  HA          5.50    (#    335:23  Unique         2.16, 3.88 A)
 &rst
  ixpk= 335, nxpk= 23, iat=  -1,1376, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1383,1384,1385,1387,1388,1389,
 &end
#
#   92 LEU  MDY          92 LEU  HA          4.50    (#    336:23  Unique         2.16, 3.88 A)
 &rst
  ixpk= 336, nxpk= 23, iat=  -1,1376, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1383,1384,1385,1387,1388,1389,
 &end
#
#    0 AMB  23-2:337     36 MET  HA          5.50    (#    337:23  Single Ambig)
 &rst
  ixpk= 337, nxpk= 23, iat=  -1, 561, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 623, 576,
 &end
#
#    0 AMB  23-2:338     19 ASP  HA          4.50    (#    338:23  Single Ambig)
 &rst
  ixpk= 338, nxpk= 23, iat=  -1, 286, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 284, 329,
 &end
#
#   36 MET  HN           36 MET  HA          5.50    (#    339:23  Unique         2.86, 2.86 A)
 &rst
  ixpk= 339, nxpk= 23, iat= 559, 561, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   81 TYR  HN           81 TYR  HA          5.50    (#    340:23  Unique         2.27, 2.81 A)
 &rst
  ixpk= 340, nxpk= 23, iat=1197,1199, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   17 ALA  HN           15 ASP  HA          5.60    (#    341:23  Unique         5.06, 5.08 A)
 &rst
  ixpk= 341, nxpk= 23, iat= 255, 230, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,  &end
#
#   41 GLY  HA-          36 MET  HA          5.60    (#    343:23  Unique         3.53, 4.41 A)
 &rst
  ixpk= 343, nxpk= 23, iat=  -1, 561, r1= 0.00, r2= 1.80, r3= 6.29, r4= 7.04,
 igr1= 625, 626,
 &end
#
#   81 TYR  HB-          81 TYR  HA          4.50    (#    345:23  Unique         2.36, 2.71 A)
 &rst
  ixpk= 345, nxpk= 23, iat=  -1,1199, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1201,1202,
 &end
#
#   19 ASP  HB-          19 ASP  HA          4.50    (#    347:23  Unique         2.35, 2.73 A)
 &rst
  ixpk= 347, nxpk= 23, iat=  -1, 286, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 288, 289,
 &end
#
#   36 MET  HB+          36 MET  HA          4.50    (#    348:23  Unique         2.43, 2.74 A)
 &rst
  ixpk= 348, nxpk= 23, iat=  -1, 561, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 563, 564,
 &end
#
#   22 LEU  HG           19 ASP  HA          4.50    (#    349:23  Unique         3.99, 4.07 A)
 &rst
  ixpk= 349, nxpk= 23, iat= 336, 286, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  23-2:350     19 ASP  HA          5.50    (#    350:23  Single Ambig)
 &rst
  ixpk= 350, nxpk= 23, iat=  -1, 286, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 352, 353, 352, 353,
 &end
#
#   22 LEU  HB-          19 ASP  HA          5.50    (#    351:23  Unique         2.30, 3.16 A)
 &rst
  ixpk= 351, nxpk= 23, iat=  -1, 286, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 333, 334,
 &end
#
#    0 AMB  23-2:352      0 AMB  23-1:352    4.50    (#    352:23  Double Ambig)
 &rst
  ixpk= 352, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 717, 718, 719, 759, 760,
 igr2= 561, 776,
 &end
#
#   22 LEU  MDX          19 ASP  HA          5.60    (#    355:23  Unique         3.24, 5.11 A)
 &rst
  ixpk= 355, nxpk= 23, iat=  -1, 286, r1= 0.00, r2= 1.80, r3= 7.55, r4= 8.30,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#   22 LEU  MDY          19 ASP  HA          5.60    (#    356:23  Unique         3.24, 5.11 A)
 &rst
  ixpk= 356, nxpk= 23, iat=  -1, 286, r1= 0.00, r2= 1.80, r3= 7.55, r4= 8.30,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#   50 LEU  HN           50 LEU  HA          4.50    (#    357:23  Unique         2.84, 2.85 A)
 &rst
  ixpk= 357, nxpk= 23, iat= 774, 776, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  23-2:358      0 AMB  23-1:358    5.50    (#    358:23  Double Ambig)
 &rst
  ixpk= 358, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 602, 823,
 igr2= 561, 776,
 &end
#
#   31 GLN  HB+          27 SER  HA          5.50    (#    360:23  Unique         3.80, 4.17 A)
 &rst
  ixpk= 360, nxpk= 23, iat=  -1, 423, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 482, 483,
 &end
#
#   50 LEU  HB+          50 LEU  HA          4.50    (#    361:23  Unique         2.65, 2.81 A)
 &rst
  ixpk= 361, nxpk= 23, iat=  -1, 776, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 778, 779,
 &end
#
#    0 AMB  23-2:362     50 LEU  HA          4.50    (#    362:23  Single Ambig)
 &rst
  ixpk= 362, nxpk= 23, iat=  -1, 776, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 781, 827, 828,
 &end
#
#   50 LEU  MDY          50 LEU  HA          4.50    (#    363:23  Unique         2.83, 4.06 A)
 &rst
  ixpk= 363, nxpk= 23, iat=  -1, 776, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 783, 784, 785, 787, 788, 789,
 &end
#
#   28 THR  HN           27 SER  HA          4.50    (#    365:23  Unique         2.55, 2.65 A)
 &rst
  ixpk= 365, nxpk= 23, iat= 432, 423, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   27 SER  HN           27 SER  HA          5.50    (#    366:23  Unique         2.94, 2.95 A)
 &rst
  ixpk= 366, nxpk= 23, iat= 421, 423, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   27 SER  HA           27 SER  HA          2.80    (#    367:23  Unique         0.00, 0.00 A)
#This appears to be self-referential: ignoring
#
#   27 SER  HB-          27 SER  HA          4.50    (#    369:23  Unique         2.26, 2.79 A)
 &rst
  ixpk= 369, nxpk= 23, iat=  -1, 423, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 425, 426,
 &end
#
#   77 LYS  HG+          77 LYS  HA          4.50    (#    372:23  Unique         2.39, 3.34 A)
 &rst
  ixpk= 372, nxpk= 23, iat=  -1,1134, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1139,1140,
 &end
#
#   28 THR  MG2          27 SER  HA          5.50    (#    373:23  Unique         3.28, 5.24 A)
 &rst
  ixpk= 373, nxpk= 23, iat=  -1, 423, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 438, 439, 440,
 &end
#
#   50 LEU  MDY          27 SER  HA          5.50    (#    374:23  Unique         4.71, 6.26 A)
 &rst
  ixpk= 374, nxpk= 23, iat=  -1, 423, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 783, 784, 785, 787, 788, 789,
 &end
#
#    0 AMB  23-2:376     77 LYS  HA          5.50    (#    376:23  Single Ambig)
 &rst
  ixpk= 376, nxpk= 23, iat=  -1,1134, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1132,1161,
 &end
#
#    0 AMB  23-2:379      0 AMB  23-1:379    4.50    (#    379:23  Double Ambig)
 &rst
  ixpk= 379, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1154, 793,
 igr2=1134, 795,
 &end
#
#    0 AMB  23-2:380     11 HIS  HA          4.50    (#    380:23  Single Ambig)
 &rst
  ixpk= 380, nxpk= 23, iat=  -1, 158, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 173, 126,
 &end
#
#   14 VAL  HN           11 HIS  HA          5.60    (#    381:23  Unique         3.31, 3.49 A)
 &rst
  ixpk= 381, nxpk= 23, iat= 212, 158, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,  &end
#
#   94 GLU  HN           91 ARG  HA          5.50    (#    383:23  Unique         3.60, 3.63 A)
 &rst
  ixpk= 383, nxpk= 23, iat=1417,1352, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   91 ARG  HD+          91 ARG  HA          4.50    (#    385:23  Unique         2.00, 2.96 A)
 &rst
  ixpk= 385, nxpk= 23, iat=  -1,1352, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1360,1361,
 &end
#
#   11 HIS  HB-          11 HIS  HA          4.50    (#    387:23  Unique         2.37, 2.61 A)
 &rst
  ixpk= 387, nxpk= 23, iat=  -1, 158, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 160, 161,
 &end
#
#   91 ARG  HD-          91 ARG  HA          4.50    (#    388:23  Unique         2.00, 2.96 A)
 &rst
  ixpk= 388, nxpk= 23, iat=  -1,1352, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1360,1361,
 &end
#
#    0 AMB  23-2:390     11 HIS  HA          5.50    (#    390:23  Single Ambig)
 &rst
  ixpk= 390, nxpk= 23, iat=  -1, 158, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 216, 201, 202,
 &end
#
#   91 ARG  HB+          91 ARG  HA          4.50    (#    391:23  Unique         2.39, 2.77 A)
 &rst
  ixpk= 391, nxpk= 23, iat=  -1,1352, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1354,1355,
 &end
#
#    0 AMB  23-2:392      0 AMB  23-1:392    4.50    (#    392:23  Double Ambig)
 &rst
  ixpk= 392, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1136,1137, 800,
 igr2=1134, 795,
 &end
#
#    0 AMB  23-2:393     51 LEU  HA          4.50    (#    393:23  Single Ambig)
 &rst
  ixpk= 393, nxpk= 23, iat=  -1, 795, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 797, 798, 830, 831,
 &end
#
#   77 LYS  HG+          77 LYS  HA          4.50    (#    394:23  Unique         2.39, 3.34 A)
 &rst
  ixpk= 394, nxpk= 23, iat=  -1,1134, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1139,1140,
 &end
#
#    0 AMB  23-2:395     11 HIS  HA          4.50    (#    395:23  Single Ambig)
 &rst
  ixpk= 395, nxpk= 23, iat=  -1, 158, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 218, 219, 220, 222, 223, 224, 218, 219, 220, 222,
       223, 224,
 &end
#
#   18 ILE  MD1          91 ARG  HA          5.50    (#    396:23  Unique         6.04, 6.55 A)
 &rst
  ixpk= 396, nxpk= 23, iat=  -1,1352, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 278, 279, 280,
 &end
#
#   51 LEU  MDY          51 LEU  HA          4.50    (#    397:23  Unique         2.00, 3.70 A)
 &rst
  ixpk= 397, nxpk= 23, iat=  -1, 795, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 802, 803, 804, 806, 807, 808,
 &end
#
#   92 LEU  HN           91 ARG  HA          5.60    (#    398:23  Unique         3.50, 3.50 A)
 &rst
  ixpk= 398, nxpk= 23, iat=1374,1352, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,  &end
#
#    0 AMB  23-2:399     72 LYS  HA          3.50    (#    399:23  Single Ambig)
 &rst
  ixpk= 399, nxpk= 23, iat=  -1,1054, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1074,1052,
 &end
#
#   54 GLN  HN           53 LYS  HA          4.50    (#    400:23  Unique         2.48, 3.00 A)
 &rst
  ixpk= 400, nxpk= 23, iat= 845, 825, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   53 LYS  HN           51 LEU  HA          5.50    (#    401:23  Unique         3.59, 4.00 A)
 &rst
  ixpk= 401, nxpk= 23, iat= 823, 795, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  23-2:404     79 MET  HA          3.50    (#    404:23  Single Ambig)
 &rst
  ixpk= 404, nxpk= 23, iat=  -1,1163, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1168,1169,1168,1169,
 &end
#
#   95 ARG  HB+          91 ARG  HA          5.60    (#    406:23  Unique         4.33, 4.90 A)
 &rst
  ixpk= 406, nxpk= 23, iat=  -1,1352, r1= 0.00, r2= 1.80, r3= 6.29, r4= 7.04,
 igr1=1436,1437,
 &end
#
#   53 LYS  HB+          53 LYS  HA          3.50    (#    407:23  Unique         2.33, 2.57 A)
 &rst
  ixpk= 407, nxpk= 23, iat=  -1, 825, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 827, 828,
 &end
#
#   72 LYS  HG+          72 LYS  HA          4.50    (#    408:23  Unique         2.04, 2.94 A)
 &rst
  ixpk= 408, nxpk= 23, iat=  -1,1054, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1059,1060,
 &end
#
#   90 ASN  HN           90 ASN  HA          3.50    (#    410:23  Unique         2.77, 2.77 A)
 &rst
  ixpk= 410, nxpk= 23, iat=1336,1338, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   64 LEU  HN           63 LYS  HA          4.50    (#    411:23  Unique         2.15, 2.50 A)
 &rst
  ixpk= 411, nxpk= 23, iat= 959, 939, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  23-2:417      0 AMB  23-1:417    3.50    (#    417:23  Double Ambig)
 &rst
  ixpk= 417, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 941, 942,1032,1033,
 igr2= 939,1030,
 &end
#
#   64 LEU  HG           63 LYS  HA          4.50    (#    418:23  Unique         3.30, 4.13 A)
 &rst
  ixpk= 418, nxpk= 23, iat= 966, 939, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   55 THR  HN           54 GLN  HA          4.50    (#    419:23  Unique         2.17, 2.90 A)
 &rst
  ixpk= 419, nxpk= 23, iat= 862, 847, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   49 LYS  HN           46 ALA  HA          5.50    (#    420:23  Unique         3.52, 3.55 A)
 &rst
  ixpk= 420, nxpk= 23, iat= 752, 715, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   54 GLN  HN           54 GLN  HA          5.50    (#    421:23  Unique         2.27, 2.72 A)
 &rst
  ixpk= 421, nxpk= 23, iat= 845, 847, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   93 ARG  HD+          90 ASN  HA          4.50    (#    423:23  Unique         2.45, 4.08 A)
 &rst
  ixpk= 423, nxpk= 23, iat=  -1,1338, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1403,1404,
 &end
#
#   90 ASN  HB+          90 ASN  HA          4.50    (#    424:23  Unique         2.38, 2.81 A)
 &rst
  ixpk= 424, nxpk= 23, iat=  -1,1338, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1340,1341,
 &end
#
#   54 GLN  HG+          54 GLN  HA          4.50    (#    425:23  Unique         2.03, 2.90 A)
 &rst
  ixpk= 425, nxpk= 23, iat=  -1, 847, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 852, 853,
 &end
#
#   54 GLN  HB-          54 GLN  HA          4.50    (#    427:23  Unique         2.38, 2.79 A)
 &rst
  ixpk= 427, nxpk= 23, iat=  -1, 847, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 849, 850,
 &end
#
#    0 AMB  23-2:428     54 GLN  HA          5.60    (#    428:23  Single Ambig)
 &rst
  ixpk= 428, nxpk= 23, iat=  -1, 847, r1= 0.00, r2= 1.80, r3= 7.06, r4= 7.81,
 igr1= 830, 831, 797, 798,
 &end
#
#   80 LEU  HB+          80 LEU  HA          4.50    (#    429:23  Unique         2.35, 2.74 A)
 &rst
  ixpk= 429, nxpk= 23, iat=  -1,1180, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1182,1183,
 &end
#
#   55 THR  MG2          54 GLN  HA          4.50    (#    430:23  Unique         3.23, 5.07 A)
 &rst
  ixpk= 430, nxpk= 23, iat=  -1, 847, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 868, 869, 870,
 &end
#
#   80 LEU  MDX          80 LEU  HA          4.50    (#    432:23  Unique         2.20, 4.15 A)
 &rst
  ixpk= 432, nxpk= 23, iat=  -1,1180, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1187,1188,1189,1191,1192,1193,
 &end
#
#    0 AMB  23-2:433     46 ALA  HA          5.50    (#    433:23  Single Ambig)
 &rst
  ixpk= 433, nxpk= 23, iat=  -1, 715, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 723, 559,
 &end
#
#   46 ALA  HN           46 ALA  HA          4.50    (#    434:23  Unique         2.81, 2.83 A)
 &rst
  ixpk= 434, nxpk= 23, iat= 713, 715, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  23-2:435     82 ASP  HA          4.50    (#    435:23  Single Ambig)
 &rst
  ixpk= 435, nxpk= 23, iat=  -1,1220, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1230,1218,
 &end
#
#   82 ASP  HB+          82 ASP  HA          4.50    (#    436:23  Unique         2.35, 2.77 A)
 &rst
  ixpk= 436, nxpk= 23, iat=  -1,1220, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1222,1223,
 &end
#
#   82 ASP  HB-          82 ASP  HA          4.50    (#    437:23  Unique         2.35, 2.77 A)
 &rst
  ixpk= 437, nxpk= 23, iat=  -1,1220, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1222,1223,
 &end
#
#  102 GLN  HB+         102 GLN  HA          5.50    (#    439:23  Unique         2.37, 2.76 A)
 &rst
  ixpk= 439, nxpk= 23, iat=  -1,1527, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1529,1530,
 &end
#
#    0 AMB  23-2:440     46 ALA  HA          4.50    (#    440:23  Single Ambig)
 &rst
  ixpk= 440, nxpk= 23, iat=  -1, 715, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 756, 757, 778, 779,
 &end
#
#  102 GLN  HB-         102 GLN  HA          4.50    (#    441:23  Unique         2.37, 2.76 A)
 &rst
  ixpk= 441, nxpk= 23, iat=  -1,1527, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1529,1530,
 &end
#
#    0 AMB  23-2:442     46 ALA  HA          4.50    (#    442:23  Single Ambig)
 &rst
  ixpk= 442, nxpk= 23, iat=  -1, 715, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 553, 554, 555, 762, 763,
 &end
#
#   46 ALA  MB           46 ALA  HA          3.50    (#    443:23  Unique         2.22, 2.63 A)
 &rst
  ixpk= 443, nxpk= 23, iat=  -1, 715, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 717, 718, 719,
 &end
#
#   39 THR  MG2          46 ALA  HA          4.50    (#    444:23  Unique         2.14, 3.28 A)
 &rst
  ixpk= 444, nxpk= 23, iat=  -1, 715, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 608, 609, 610,
 &end
#
#   45 ILE  MG2          46 ALA  HA          5.50    (#    445:23  Unique         3.72, 4.81 A)
 &rst
  ixpk= 445, nxpk= 23, iat=  -1, 715, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 700, 701, 702,
 &end
#
#   51 LEU  HN           48 ALA  HA          4.50    (#    446:23  Unique         3.52, 3.63 A)
 &rst
  ixpk= 446, nxpk= 23, iat= 793, 744, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   49 LYS  HN           48 ALA  HA          4.50    (#    447:23  Unique         3.52, 3.53 A)
 &rst
  ixpk= 447, nxpk= 23, iat= 752, 744, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   48 ALA  HN           48 ALA  HA          4.50    (#    449:23  Unique         2.85, 2.85 A)
 &rst
  ixpk= 449, nxpk= 23, iat= 742, 744, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  23-2:451     17 ALA  HA          3.50    (#    451:23  Single Ambig)
 &rst
  ixpk= 451, nxpk= 23, iat=  -1, 257, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 300, 301, 288, 289,
 &end
#
#   36 MET  HG+          35 ALA  HA          5.50    (#    452:23  Unique         5.26, 6.12 A)
 &rst
  ixpk= 452, nxpk= 23, iat=  -1, 551, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 566, 567,
 &end
#
#   51 LEU  HB+          48 ALA  HA          4.50    (#    453:23  Unique         2.81, 3.63 A)
 &rst
  ixpk= 453, nxpk= 23, iat=  -1, 744, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 797, 798,
 &end
#
#   48 ALA  MB           48 ALA  HA          3.50    (#    454:23  Unique         2.29, 2.63 A)
 &rst
  ixpk= 454, nxpk= 23, iat=  -1, 744, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 746, 747, 748,
 &end
#
#    0 AMB  23-2:455      0 AMB  23-1:455    3.50    (#    455:23  Double Ambig)
 &rst
  ixpk= 455, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1095,1096,1097,1099,1100,1101,1095,1096,1097,1099,
      1100,1101, 323, 324, 325,
 igr2=1088, 257,
 &end
#
#    0 AMB  23-2:457     17 ALA  HA          5.50    (#    457:23  Single Ambig)
 &rst
  ixpk= 457, nxpk= 23, iat=  -1, 257, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 296, 265,
 &end
#
#   75 SER  HN           74 LEU  HA          5.50    (#    458:23  Unique         2.14, 2.46 A)
 &rst
  ixpk= 458, nxpk= 23, iat=1105,1088, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   64 LEU  HN           64 LEU  HA          5.50    (#    459:23  Unique         2.27, 2.78 A)
 &rst
  ixpk= 459, nxpk= 23, iat= 959, 961, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   35 ALA  HN           35 ALA  HA          4.50    (#    460:23  Unique         2.78, 2.79 A)
 &rst
  ixpk= 460, nxpk= 23, iat= 549, 551, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   17 ALA  HN           17 ALA  HA          4.50    (#    462:23  Unique         2.75, 2.75 A)
 &rst
  ixpk= 462, nxpk= 23, iat= 255, 257, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   20 ASN  HB+          17 ALA  HA          4.50    (#    466:23  Unique         2.81, 3.16 A)
 &rst
  ixpk= 466, nxpk= 23, iat=  -1, 257, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 300, 301,
 &end
#
#    0 AMB  23-2:469     64 LEU  HA          4.50    (#    469:23  Single Ambig)
 &rst
  ixpk= 469, nxpk= 23, iat=  -1, 961, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 963, 964, 966,
 &end
#
#    0 AMB  23-2:470      0 AMB  23-1:470    3.50    (#    470:23  Double Ambig)
 &rst
  ixpk= 470, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1093, 259, 260, 261,
 igr2=1088, 257,
 &end
#
#   74 LEU  HB-          74 LEU  HA          4.50    (#    471:23  Unique         2.28, 2.81 A)
 &rst
  ixpk= 471, nxpk= 23, iat=  -1,1088, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1090,1091,
 &end
#
#   64 LEU  MDY          64 LEU  HA          4.50    (#    472:23  Unique         2.07, 4.31 A)
 &rst
  ixpk= 472, nxpk= 23, iat=  -1, 961, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 968, 969, 970, 972, 973, 974,
 &end
#
#   51 LEU  MDX          48 ALA  HA          4.50    (#    473:23  Unique         3.57, 5.57 A)
 &rst
  ixpk= 473, nxpk= 23, iat=  -1, 744, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 802, 803, 804, 806, 807, 808,
 &end
#
#   42 ARG  HN           42 ARG  HA          4.50    (#    474:23  Unique         2.78, 2.81 A)
 &rst
  ixpk= 474, nxpk= 23, iat= 630, 632, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   42 ARG  HD+          42 ARG  HA          5.50    (#    476:23  Unique         2.46, 3.03 A)
 &rst
  ixpk= 476, nxpk= 23, iat=  -1, 632, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 640, 641,
 &end
#
#   43 VAL  MGX          42 ARG  HA          5.50    (#    477:23  Unique         3.85, 5.76 A)
 &rst
  ixpk= 477, nxpk= 23, iat=  -1, 632, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 660, 661, 662, 664, 665, 666,
 &end
#
#   43 VAL  HN           42 ARG  HA          4.50    (#    478:23  Unique         2.14, 2.16 A)
 &rst
  ixpk= 478, nxpk= 23, iat= 654, 632, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   42 ARG  HB+          42 ARG  HA          4.50    (#    479:23  Unique         2.51, 2.79 A)
 &rst
  ixpk= 479, nxpk= 23, iat=  -1, 632, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 634, 635,
 &end
#
#   42 ARG  HG+          42 ARG  HA          4.50    (#    480:23  Unique         2.47, 3.13 A)
 &rst
  ixpk= 480, nxpk= 23, iat=  -1, 632, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 637, 638,
 &end
#
#   73 ASP  HN           73 ASP  HA          4.50    (#    481:23  Unique         2.28, 2.88 A)
 &rst
  ixpk= 481, nxpk= 23, iat=1074,1076, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   74 LEU  HN           73 ASP  HA          4.50    (#    482:23  Unique         2.14, 2.42 A)
 &rst
  ixpk= 482, nxpk= 23, iat=1086,1076, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  23-2:483     73 ASP  HA          4.50    (#    483:23  Single Ambig)
 &rst
  ixpk= 483, nxpk= 23, iat=  -1,1076, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1078,1079,1078,1079,
 &end
#
#   74 LEU  MDX          73 ASP  HA          5.50    (#    484:23  Unique         3.43, 6.35 A)
 &rst
  ixpk= 484, nxpk= 23, iat=  -1,1076, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#   27 SER  HN           26 ASN  HA          4.50    (#    486:23  Unique         2.58, 2.60 A)
 &rst
  ixpk= 486, nxpk= 23, iat= 421, 409, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   26 ASN  HN           26 ASN  HA          3.50    (#    487:23  Unique         2.27, 2.27 A)
 &rst
  ixpk= 487, nxpk= 23, iat= 407, 409, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   26 ASN  HB+          26 ASN  HA          4.50    (#    488:23  Unique         2.37, 2.79 A)
 &rst
  ixpk= 488, nxpk= 23, iat=  -1, 409, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 411, 412,
 &end
#
#   26 ASN  HB-          26 ASN  HA          4.50    (#    489:23  Unique         2.37, 2.79 A)
 &rst
  ixpk= 489, nxpk= 23, iat=  -1, 409, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 411, 412,
 &end
#
#   10 ASN  HN           10 ASN  HA          5.60    (#    491:23  Unique         2.27, 2.73 A)
 &rst
  ixpk= 491, nxpk= 23, iat= 142, 144, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,  &end
#
#    0 AMB  23-2:492     10 ASN  HA          4.50    (#    492:23  Single Ambig)
 &rst
  ixpk= 492, nxpk= 23, iat=  -1, 144, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 146, 147, 146, 147,
 &end
#
#  101 ALA  HN          101 ALA  HA          3.50    (#    494:23  Unique         2.28, 2.71 A)
 &rst
  ixpk= 494, nxpk= 23, iat=1515,1517, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  101 ALA  MB          101 ALA  HA          4.50    (#    496:23  Unique         2.22, 2.63 A)
 &rst
  ixpk= 496, nxpk= 23, iat=  -1,1517, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1519,1520,1521,
 &end
#
#   41 GLY  HN           40 GLY  HA-         3.50    (#    516:23  Unique         2.90, 3.26 A)
 &rst
  ixpk= 516, nxpk= 23, iat= 623,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 618, 619,
 &end
#
#   40 GLY  HN           40 GLY  HA-         4.50    (#    518:23  Unique         2.38, 2.70 A)
 &rst
  ixpk= 518, nxpk= 23, iat= 616,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 618, 619,
 &end
#
#   41 GLY  HN           40 GLY  HA+         3.50    (#    521:23  Unique         2.90, 3.26 A)
 &rst
  ixpk= 521, nxpk= 23, iat= 623,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 618, 619,
 &end
#
#   41 GLY  HA+          41 GLY  HA-         3.50    (#    522:23  Unique         0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
#   78 GLY  HA-          78 GLY  HA-         2.80    (#    523:23  Unique         0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
#   41 GLY  HN           41 GLY  HA+         4.50    (#    525:23  Unique         2.32, 2.69 A)
 &rst
  ixpk= 525, nxpk= 23, iat= 623,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 625, 626,
 &end
#
#   41 GLY  HN           41 GLY  HA-         4.50    (#    526:23  Unique         2.32, 2.69 A)
 &rst
  ixpk= 526, nxpk= 23, iat= 623,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 625, 626,
 &end
#
#   78 GLY  HN           78 GLY  HA-         5.50    (#    527:23  Unique         2.31, 2.72 A)
 &rst
  ixpk= 527, nxpk= 23, iat=1154,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1156,1157,
 &end
#
#   99 SER  HN           98 GLY  HA+         3.50    (#    528:23  Unique         2.14, 2.81 A)
 &rst
  ixpk= 528, nxpk= 23, iat=1490,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1485,1486,
 &end
#
#   79 MET  HN           78 GLY  HA-         5.50    (#    529:23  Unique         2.14, 2.68 A)
 &rst
  ixpk= 529, nxpk= 23, iat=1161,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1156,1157,
 &end
#
#   98 GLY  HN           98 GLY  HA+         4.50    (#    530:23  Unique         2.31, 2.70 A)
 &rst
  ixpk= 530, nxpk= 23, iat=1483,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1485,1486,
 &end
#
#   42 ARG  HN           41 GLY  HA-         5.50    (#    531:23  Unique         2.91, 3.24 A)
 &rst
  ixpk= 531, nxpk= 23, iat= 630,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 625, 626,
 &end
#
#   78 GLY  HA-          78 GLY  HA-         2.80    (#    532:23  Unique         0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
#   36 MET  HB+          41 GLY  HA-         5.60    (#    535:23  Unique         2.23, 3.96 A)
 &rst
  ixpk= 535, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.06, r4= 7.81,
 igr1= 563, 564,
 igr2= 625, 626,
 &end
#
#    0 AMB  23-2:536      0 AMB  23-1:536    5.50    (#    536:23  Double Ambig)
 &rst
  ixpk= 536, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 637, 638,1378,1379,
 igr2= 625, 626, 625, 626,
 &end
#
#    0 AMB  23-2:537     41 GLY  HA-         4.50    (#    537:23  Single Ambig)
 &rst
  ixpk= 537, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 637, 638,1378,1379,
 igr2= 625, 626,
 &end
#
#    0 AMB  23-2:538     41 GLY  HA-         5.50    (#    538:23  Single Ambig)
 &rst
  ixpk= 538, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 563, 564, 566, 567,
 igr2= 625, 626,
 &end
#
#    0 AMB  23-2:539     41 GLY  HA-         5.60    (#    539:23  Single Ambig)
 &rst
  ixpk= 539, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.55, r4= 8.30,
 igr1=1324,1321,1322,
 igr2= 625, 626,
 &end
#
#   89 LEU  MDX          41 GLY  HA+         4.50    (#    540:23  Unique         2.02, 4.16 A)
 &rst
  ixpk= 540, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1326,1327,1328,1330,1331,1332,
 igr2= 625, 626,
 &end
#
#   89 LEU  MDX          41 GLY  HA-         4.50    (#    541:23  Unique         2.02, 4.16 A)
 &rst
  ixpk= 541, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1326,1327,1328,1330,1331,1332,
 igr2= 625, 626,
 &end
#
#    0 AMB  23-2:547     95 ARG  HD-         4.50    (#    547:23  Single Ambig)
 &rst
  ixpk= 547, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1376,1458,
 igr2=1442,1443,
 &end
#
#   95 ARG  HD+          95 ARG  HD+         3.50    (#    548:23  Unique         0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
#   95 ARG  HD+          95 ARG  HD-         4.50    (#    549:23  Unique         0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
#   95 ARG  HB+          95 ARG  HD+         5.50    (#    552:23  Unique         2.09, 2.86 A)
 &rst
  ixpk= 552, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1436,1437,
 igr2=1442,1443,
 &end
#
#   95 ARG  HB+          95 ARG  HD-         5.50    (#    553:23  Unique         2.09, 2.86 A)
 &rst
  ixpk= 553, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1436,1437,
 igr2=1442,1443,
 &end
#
#    0 AMB  23-2:554      0 AMB  23-1:554    4.50    (#    554:23  Double Ambig)
 &rst
  ixpk= 554, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1436,1437,1439,1440,
 igr2=1442,1443,1442,1443,
 &end
#
#    0 AMB  23-2:555     95 ARG  HD-         4.50    (#    555:23  Single Ambig)
 &rst
  ixpk= 555, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1436,1437,1439,1440,
 igr2=1442,1443,
 &end
#
#   91 ARG  HG-          95 ARG  HD+         5.50    (#    556:23  Unique         2.07, 4.74 A)
 &rst
  ixpk= 556, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1357,1358,
 igr2=1442,1443,
 &end
#
#   91 ARG  HG-          95 ARG  HD-         5.50    (#    557:23  Unique         2.07, 4.74 A)
 &rst
  ixpk= 557, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1357,1358,
 igr2=1442,1443,
 &end
#
#    0 AMB  23-2:558      0 AMB  23-1:558    5.50    (#    558:23  Double Ambig)
 &rst
  ixpk= 558, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 278, 279, 280, 271, 272, 273,
 igr2=1442,1443,1442,1443,
 &end
#
#    0 AMB  23-2:559     95 ARG  HD-         4.50    (#    559:23  Single Ambig)
 &rst
  ixpk= 559, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 278, 279, 280, 271, 272, 273,
 igr2=1442,1443,
 &end
#
#   93 ARG  HN           93 ARG  HD+         5.50    (#    562:23  Unique         3.37, 4.53 A)
 &rst
  ixpk= 562, nxpk= 23, iat=1393,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1403,1404,
 &end
#
#   90 ASN  HA           93 ARG  HD+         4.50    (#    565:23  Unique         2.45, 4.08 A)
 &rst
  ixpk= 565, nxpk= 23, iat=1338,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1403,1404,
 &end
#
#   93 ARG  HA           93 ARG  HD+         5.50    (#    566:23  Unique         4.30, 4.44 A)
 &rst
  ixpk= 566, nxpk= 23, iat=1395,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1403,1404,
 &end
#
#    0 AMB  23-2:567      0 AMB  23-1:567    3.50    (#    567:23  Double Ambig)
 &rst
  ixpk= 567, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1397,1398,1400,1401,1321,1322,
 igr2=1403,1404,1403,1404,1403,1404,
 &end
#
#   93 ARG  HG-          93 ARG  HD+         4.50    (#    568:23  Unique         2.23, 2.71 A)
 &rst
  ixpk= 568, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1400,1401,
 igr2=1403,1404,
 &end
#
#    0 AMB  23-2:569      0 AMB  23-1:569    4.50    (#    569:23  Double Ambig)
 &rst
  ixpk= 569, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1321,1322,1324,
 igr2=1403,1404,1403,1404,
 &end
#
#    0 AMB  23-2:570      0 AMB  23-1:570    4.50    (#    570:23  Double Ambig)
 &rst
  ixpk= 570, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1=1326,1327,1328,1330,1331,1332, 524, 525, 526, 528,
       529, 530,
 igr2=1403,1404,1403,1404,
 &end
#
#   42 ARG  HA           42 ARG  HD+         3.50    (#    572:23  Unique         2.46, 3.03 A)
 &rst
  ixpk= 572, nxpk= 23, iat= 632,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 640, 641,
 &end
#
#   85 SER  HB+          42 ARG  HD+         5.50    (#    573:23  Unique         3.06, 4.74 A)
 &rst
  ixpk= 573, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1257,1258,
 igr2= 640, 641,
 &end
#
#   42 ARG  HB+          42 ARG  HD+         3.50    (#    574:23  Unique         1.97, 3.09 A)
 &rst
  ixpk= 574, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 634, 635,
 igr2= 640, 641,
 &end
#
#   45 ILE  MD1          42 ARG  HD+         3.50    (#    576:23  Unique         3.18, 5.22 A)
 &rst
  ixpk= 576, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 707, 708, 709,
 igr2= 640, 641,
 &end
#
#   92 LEU  HN           92 LEU  HB+         4.50    (#    577:23  Unique         2.28, 2.52 A)
 &rst
  ixpk= 577, nxpk= 23, iat=1374,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1378,1379,
 &end
#
#   92 LEU  HN           92 LEU  HB-         4.50    (#    578:23  Unique         2.28, 2.52 A)
 &rst
  ixpk= 578, nxpk= 23, iat=1374,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1378,1379,
 &end
#
#   93 ARG  HN           92 LEU  HB-         5.50    (#    579:23  Unique         2.64, 3.36 A)
 &rst
  ixpk= 579, nxpk= 23, iat=1393,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1378,1379,
 &end
#
#   93 ARG  HN           92 LEU  HB+         5.50    (#    580:23  Unique         2.64, 3.36 A)
 &rst
  ixpk= 580, nxpk= 23, iat=1393,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1378,1379,
 &end
#
#   71 ARG  HA           71 ARG  HD+         5.50    (#    582:23  Unique         2.09, 4.02 A)
 &rst
  ixpk= 582, nxpk= 23, iat=1030,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1038,1039,
 &end
#
#   12 ARG  HA           12 ARG  HD+         4.50    (#    583:23  Unique         2.10, 3.62 A)
 &rst
  ixpk= 583, nxpk= 23, iat= 175,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 183, 184,
 &end
#
#   92 LEU  HA           92 LEU  HB+         5.50    (#    585:23  Unique         2.34, 2.68 A)
 &rst
  ixpk= 585, nxpk= 23, iat=1376,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1378,1379,
 &end
#
#   92 LEU  HA           92 LEU  HB-         5.50    (#    586:23  Unique         2.34, 2.68 A)
 &rst
  ixpk= 586, nxpk= 23, iat=1376,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1378,1379,
 &end
#
#   89 LEU  HA           92 LEU  HB+         5.50    (#    587:23  Unique         2.34, 2.96 A)
 &rst
  ixpk= 587, nxpk= 23, iat=1319,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1378,1379,
 &end
#
#   89 LEU  HA           92 LEU  HB-         5.50    (#    588:23  Unique         2.34, 2.96 A)
 &rst
  ixpk= 588, nxpk= 23, iat=1319,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1378,1379,
 &end
#
#   44 ARG  HG+          42 ARG  HD+         2.80    (#    591:23  Unique         2.59, 3.65 A)
 &rst
  ixpk= 591, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 677, 678,
 igr2= 640, 641,
 &end
#
#   12 ARG  HG+          12 ARG  HD+         3.50    (#    592:23  Unique         2.22, 2.61 A)
 &rst
  ixpk= 592, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 180, 181,
 igr2= 183, 184,
 &end
#
#   92 LEU  HB-          92 LEU  HB+         3.50    (#    593:23  Unique         0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
#   92 LEU  HB-          92 LEU  HB-         3.50    (#    594:23  Unique         0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
#    0 AMB  23-2:596      0 AMB  23-1:596    4.50    (#    596:23  Double Ambig)
 &rst
  ixpk= 596, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 278, 279, 280, 271, 272, 273,
 igr2=1378,1379,1378,1379,
 &end
#
#    0 AMB  23-2:597     92 LEU  HB-         5.50    (#    597:23  Single Ambig)
 &rst
  ixpk= 597, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 278, 279, 280, 271, 272, 273,
 igr2=1378,1379,
 &end
#
#    0 AMB  23-2:599      0 AMB  23-1:599    4.50    (#    599:23  Double Ambig)
 &rst
  ixpk= 599, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.53, r4=10.28,
 igr1=1326,1327,1328,1330,1331,1332, 524, 525, 526, 528,
       529, 530,1311,1312,1313,
 igr2=1378,1379,1378,1379,1378,1379,
 &end
#
#    0 AMB  23-2:600     92 LEU  HB-         5.50    (#    600:23  Single Ambig)
 &rst
  ixpk= 600, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.70, r4=10.45,
 igr1=1326,1327,1328,1330,1331,1332, 524, 525, 526, 528,
       529, 530,1311,1312,1313,
 igr2=1378,1379,
 &end
#
#   92 LEU  MDX          92 LEU  HB+         4.50    (#    602:23  Unique         2.26, 3.29 A)
 &rst
  ixpk= 602, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1383,1384,1385,1387,1388,1389,
 igr2=1378,1379,
 &end
#
#   92 LEU  MDX          92 LEU  HB-         4.50    (#    603:23  Unique         2.26, 3.29 A)
 &rst
  ixpk= 603, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1383,1384,1385,1387,1388,1389,
 igr2=1378,1379,
 &end
#
#   92 LEU  MDY          92 LEU  HB+         4.50    (#    604:23  Unique         2.26, 3.29 A)
 &rst
  ixpk= 604, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1383,1384,1385,1387,1388,1389,
 igr2=1378,1379,
 &end
#
#   92 LEU  MDY          92 LEU  HB-         4.50    (#    605:23  Unique         2.26, 3.29 A)
 &rst
  ixpk= 605, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1383,1384,1385,1387,1388,1389,
 igr2=1378,1379,
 &end
#
#   91 ARG  HA           91 ARG  HD+         4.50    (#    608:23  Unique         2.00, 2.96 A)
 &rst
  ixpk= 608, nxpk= 23, iat=1352,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1360,1361,
 &end
#
#   91 ARG  HA           91 ARG  HD-         4.50    (#    609:23  Unique         2.00, 2.96 A)
 &rst
  ixpk= 609, nxpk= 23, iat=1352,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1360,1361,
 &end
#
#   91 ARG  HD+          91 ARG  HD+         3.50    (#    610:23  Unique         0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
#   91 ARG  HD+          91 ARG  HD-         4.50    (#    611:23  Unique         0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
#   91 ARG  HD-          91 ARG  HD+         4.50    (#    612:23  Unique         0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
#   95 ARG  HB+          91 ARG  HD+         5.50    (#    613:23  Unique         2.13, 5.24 A)
 &rst
  ixpk= 613, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1436,1437,
 igr2=1360,1361,
 &end
#
#   91 ARG  HB+          91 ARG  HD+         4.50    (#    615:23  Unique         2.07, 3.27 A)
 &rst
  ixpk= 615, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1354,1355,
 igr2=1360,1361,
 &end
#
#   91 ARG  HB+          91 ARG  HD-         4.50    (#    616:23  Unique         2.07, 3.27 A)
 &rst
  ixpk= 616, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1354,1355,
 igr2=1360,1361,
 &end
#
#   91 ARG  HG+          91 ARG  HD+         4.50    (#    617:23  Unique         2.22, 2.69 A)
 &rst
  ixpk= 617, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1357,1358,
 igr2=1360,1361,
 &end
#
#   91 ARG  HG+          91 ARG  HD-         4.50    (#    618:23  Unique         2.22, 2.69 A)
 &rst
  ixpk= 618, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1357,1358,
 igr2=1360,1361,
 &end
#
#   91 ARG  HG-          91 ARG  HD+         5.50    (#    620:23  Unique         2.22, 2.69 A)
 &rst
  ixpk= 620, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1357,1358,
 igr2=1360,1361,
 &end
#
#   91 ARG  HG-          91 ARG  HD-         5.50    (#    621:23  Unique         2.22, 2.69 A)
 &rst
  ixpk= 621, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1357,1358,
 igr2=1360,1361,
 &end
#
#    0 AMB  23-2:622      0 AMB  23-1:622    5.50    (#    622:23  Double Ambig)
 &rst
  ixpk= 622, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.64, r4=12.39,
 igr1= 218, 219, 220, 222, 223, 224, 218, 219, 220, 222,
       223, 224, 278, 279, 280,
 igr2=1360,1361,1360,1361,1360,1361,
 &end
#
#    0 AMB  23-2:623     91 ARG  HD-         5.50    (#    623:23  Single Ambig)
 &rst
  ixpk= 623, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.70, r4=10.45,
 igr1= 218, 219, 220, 222, 223, 224, 218, 219, 220, 222,
       223, 224, 278, 279, 280,
 igr2=1360,1361,
 &end
#
#   53 LYS  HB-          53 LYS  HE+         5.50    (#    628:23  Unique         2.07, 3.66 A)
 &rst
  ixpk= 628, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 827, 828,
 igr2= 836, 837,
 &end
#
#   53 LYS  HD+          53 LYS  HE+         4.50    (#    629:23  Unique         2.22, 2.69 A)
 &rst
  ixpk= 629, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 833, 834,
 igr2= 836, 837,
 &end
#
#   53 LYS  HG+          53 LYS  HE+         4.50    (#    630:23  Unique         2.00, 3.19 A)
 &rst
  ixpk= 630, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 830, 831,
 igr2= 836, 837,
 &end
#
#   90 ASN  HN           89 LEU  HB-         3.50    (#    632:23  Unique         2.25, 2.86 A)
 &rst
  ixpk= 632, nxpk= 23, iat=1336,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1321,1322,
 &end
#
#   90 ASN  HN           89 LEU  HB+         3.50    (#    633:23  Unique         2.25, 2.86 A)
 &rst
  ixpk= 633, nxpk= 23, iat=1336,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1321,1322,
 &end
#
#   51 LEU  HN           51 LEU  HB-         3.50    (#    634:23  Unique         2.31, 2.95 A)
 &rst
  ixpk= 634, nxpk= 23, iat= 793,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 797, 798,
 &end
#
#   89 LEU  HN           89 LEU  HB+         3.50    (#    635:23  Unique         2.06, 2.53 A)
 &rst
  ixpk= 635, nxpk= 23, iat=1317,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1321,1322,
 &end
#
#    0 AMB  23-2:636      0 AMB  23-1:636    3.50    (#    636:23  Double Ambig)
 &rst
  ixpk= 636, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1317,1105,
 igr2=1321,1322,1090,1091,
 &end
#
#   74 LEU  HN           74 LEU  HB-         4.50    (#    637:23  Unique         2.05, 2.86 A)
 &rst
  ixpk= 637, nxpk= 23, iat=1086,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1090,1091,
 &end
#
#   52 SER  HN           51 LEU  HB+         5.60    (#    639:23  Unique         2.70, 3.32 A)
 &rst
  ixpk= 639, nxpk= 23, iat= 812,  -1, r1= 0.00, r2= 1.80, r3= 6.29, r4= 7.04,
 igr2= 797, 798,
 &end
#
#   80 LEU  HA           80 LEU  HB+         3.50    (#    641:23  Unique         2.35, 2.74 A)
 &rst
  ixpk= 641, nxpk= 23, iat=1180,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1182,1183,
 &end
#
#   51 LEU  HA           51 LEU  HB-         3.50    (#    642:23  Unique         2.52, 2.77 A)
 &rst
  ixpk= 642, nxpk= 23, iat= 795,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 797, 798,
 &end
#
#   51 LEU  HA           51 LEU  HB+         4.50    (#    643:23  Unique         2.52, 2.77 A)
 &rst
  ixpk= 643, nxpk= 23, iat= 795,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 797, 798,
 &end
#
#    0 AMB  23-2:644      0 AMB  23-1:644    3.50    (#    644:23  Double Ambig)
 &rst
  ixpk= 644, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 754, 744,
 igr2= 765, 766, 765, 766,
 &end
#
#   89 LEU  HA           89 LEU  HB-         4.50    (#    645:23  Unique         2.58, 2.80 A)
 &rst
  ixpk= 645, nxpk= 23, iat=1319,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1321,1322,
 &end
#
#   49 LYS  HB+          49 LYS  HE+         4.50    (#    646:23  Unique         2.86, 4.43 A)
 &rst
  ixpk= 646, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 756, 757,
 igr2= 765, 766,
 &end
#
#   51 LEU  HB+          51 LEU  HB-         3.50    (#    649:23  Unique         0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
#   51 LEU  HG           51 LEU  HB+         3.50    (#    650:23  Unique         2.42, 2.72 A)
 &rst
  ixpk= 650, nxpk= 23, iat= 800,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 797, 798,
 &end
#
#   49 LYS  HD+          49 LYS  HE+         3.50    (#    651:23  Unique         2.38, 2.57 A)
 &rst
  ixpk= 651, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 762, 763,
 igr2= 765, 766,
 &end
#
#   49 LYS  HG-          49 LYS  HE+         3.50    (#    656:23  Unique         2.34, 3.44 A)
 &rst
  ixpk= 656, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 759, 760,
 igr2= 765, 766,
 &end
#
#   39 THR  MG2          49 LYS  HE+         4.50    (#    661:23  Unique         3.79, 5.18 A)
 &rst
  ixpk= 661, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 608, 609, 610,
 igr2= 765, 766,
 &end
#
#   45 ILE  MG2          49 LYS  HE+         5.50    (#    662:23  Unique         2.00, 3.20 A)
 &rst
  ixpk= 662, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 700, 701, 702,
 igr2= 765, 766,
 &end
#
#    0 AMB  23-2:663      0 AMB  23-1:663    3.50    (#    663:23  Double Ambig)
 &rst
  ixpk= 663, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1=1326,1327,1328,1330,1331,1332, 802, 803, 804, 806,
       807, 808,
 igr2=1321,1322, 797, 798,
 &end
#
#   51 LEU  MDX          51 LEU  HB-         2.80    (#    664:23  Unique         2.32, 3.29 A)
 &rst
  ixpk= 664, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 802, 803, 804, 806, 807, 808,
 igr2= 797, 798,
 &end
#
#   74 LEU  MDX          74 LEU  HB-         2.80    (#    667:23  Unique         2.02, 3.33 A)
 &rst
  ixpk= 667, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1095,1096,1097,1099,1100,1101,
 igr2=1090,1091,
 &end
#
#   89 LEU  HA           89 LEU  HB+         5.50    (#    668:23  Unique         2.58, 2.80 A)
 &rst
  ixpk= 668, nxpk= 23, iat=1319,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1321,1322,
 &end
#
#   84 ASP  HN           84 ASP  HB+         3.50    (#    669:23  Unique         2.21, 2.89 A)
 &rst
  ixpk= 669, nxpk= 23, iat=1241,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1245,1246,
 &end
#
#   84 ASP  HN           84 ASP  HB-         3.50    (#    670:23  Unique         2.21, 2.89 A)
 &rst
  ixpk= 670, nxpk= 23, iat=1241,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1245,1246,
 &end
#
#   85 SER  HN           84 ASP  HB+         4.50    (#    671:23  Unique         3.15, 4.14 A)
 &rst
  ixpk= 671, nxpk= 23, iat=1253,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1245,1246,
 &end
#
#    0 AMB  23-2:673     82 ASP  HB-         3.50    (#    673:23  Single Ambig)
 &rst
  ixpk= 673, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1230,1218,
 igr2=1222,1223,
 &end
#
#   50 LEU  HN           50 LEU  HB-         3.50    (#    674:23  Unique         2.15, 2.82 A)
 &rst
  ixpk= 674, nxpk= 23, iat= 774,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 778, 779,
 &end
#
#   84 ASP  HA           84 ASP  HB+         4.50    (#    675:23  Unique         2.34, 2.80 A)
 &rst
  ixpk= 675, nxpk= 23, iat=1243,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1245,1246,
 &end
#
#   84 ASP  HA           84 ASP  HB-         5.50    (#    676:23  Unique         2.34, 2.80 A)
 &rst
  ixpk= 676, nxpk= 23, iat=1243,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1245,1246,
 &end
#
#   82 ASP  HA           82 ASP  HB-         3.50    (#    678:23  Unique         2.35, 2.77 A)
 &rst
  ixpk= 678, nxpk= 23, iat=1220,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1222,1223,
 &end
#
#   50 LEU  HA           50 LEU  HB+         4.50    (#    679:23  Unique         2.65, 2.81 A)
 &rst
  ixpk= 679, nxpk= 23, iat= 776,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 778, 779,
 &end
#
#   50 LEU  HA           50 LEU  HB-         3.50    (#    680:23  Unique         2.65, 2.81 A)
 &rst
  ixpk= 680, nxpk= 23, iat= 776,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 778, 779,
 &end
#
#   47 ILE  HA           50 LEU  HB+         5.50    (#    681:23  Unique         2.66, 3.41 A)
 &rst
  ixpk= 681, nxpk= 23, iat= 725,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 778, 779,
 &end
#
#   47 ILE  HA           50 LEU  HB-         5.60    (#    682:23  Unique         2.66, 3.41 A)
 &rst
  ixpk= 682, nxpk= 23, iat= 725,  -1, r1= 0.00, r2= 1.80, r3= 6.29, r4= 7.04,
 igr2= 778, 779,
 &end
#
#   84 ASP  HB+          84 ASP  HB-         2.80    (#    683:23  Unique         0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
#   84 ASP  HB-          84 ASP  HB+         3.50    (#    684:23  Unique         0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
#   87 GLN  HB+          84 ASP  HB+         5.50    (#    685:23  Unique         2.00, 4.35 A)
 &rst
  ixpk= 685, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1285,1286,
 igr2=1245,1246,
 &end
#
#   87 GLN  HB+          84 ASP  HB-         5.50    (#    686:23  Unique         2.00, 4.35 A)
 &rst
  ixpk= 686, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1285,1286,
 igr2=1245,1246,
 &end
#
#    0 AMB  23-2:689      0 AMB  23-1:689    4.50    (#    689:23  Double Ambig)
 &rst
  ixpk= 689, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 781, 727,
 igr2= 778, 779, 778, 779,
 &end
#
#   88 ILE  HG1+         84 ASP  HB+         5.60    (#    692:23  Unique         3.28, 4.74 A)
 &rst
  ixpk= 692, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.06, r4= 7.81,
 igr1=1308,1309,
 igr2=1245,1246,
 &end
#
#   88 ILE  HG1+         84 ASP  HB-         5.60    (#    693:23  Unique         3.28, 4.74 A)
 &rst
  ixpk= 693, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.06, r4= 7.81,
 igr1=1308,1309,
 igr2=1245,1246,
 &end
#
#   88 ILE  MD1          84 ASP  HB+         5.50    (#    694:23  Unique         3.90, 5.67 A)
 &rst
  ixpk= 694, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1311,1312,1313,
 igr2=1245,1246,
 &end
#
#   88 ILE  MD1          84 ASP  HB-         4.50    (#    695:23  Unique         3.90, 5.67 A)
 &rst
  ixpk= 695, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1311,1312,1313,
 igr2=1245,1246,
 &end
#
#   50 LEU  MDY          50 LEU  HB-         2.80    (#    696:23  Unique         2.00, 3.21 A)
 &rst
  ixpk= 696, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 783, 784, 785, 787, 788, 789,
 igr2= 778, 779,
 &end
#
#   50 LEU  MDX          50 LEU  HB+         4.50    (#    697:23  Unique         2.00, 3.21 A)
 &rst
  ixpk= 697, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 783, 784, 785, 787, 788, 789,
 igr2= 778, 779,
 &end
#
#   50 LEU  MDX          50 LEU  HB-         2.80    (#    698:23  Unique         2.00, 3.21 A)
 &rst
  ixpk= 698, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 783, 784, 785, 787, 788, 789,
 igr2= 778, 779,
 &end
#
#   73 ASP  HN           73 ASP  HB-         3.50    (#    699:23  Unique         2.28, 3.05 A)
 &rst
  ixpk= 699, nxpk= 23, iat=1074,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1078,1079,
 &end
#
#   34 GLU  HN           33 LEU  HB+         4.50    (#    701:23  Unique         2.39, 2.92 A)
 &rst
  ixpk= 701, nxpk= 23, iat= 534,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 519, 520,
 &end
#
#   74 LEU  HN           73 ASP  HB-         5.60    (#    703:23  Unique         2.64, 3.93 A)
 &rst
  ixpk= 703, nxpk= 23, iat=1086,  -1, r1= 0.00, r2= 1.80, r3= 6.29, r4= 7.04,
 igr2=1078,1079,
 &end
#
#   73 ASP  HA           73 ASP  HB-         3.50    (#    705:23  Unique         2.35, 2.75 A)
 &rst
  ixpk= 705, nxpk= 23, iat=1076,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1078,1079,
 &end
#
#   50 LEU  HB-          50 LEU  HB+         3.50    (#    706:23  Unique         0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
#   33 LEU  HN           33 LEU  HB+         4.50    (#    707:23  Unique         2.14, 2.55 A)
 &rst
  ixpk= 707, nxpk= 23, iat= 515,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 519, 520,
 &end
#
#   33 LEU  HN           33 LEU  HB-         4.50    (#    708:23  Unique         2.14, 2.55 A)
 &rst
  ixpk= 708, nxpk= 23, iat= 515,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 519, 520,
 &end
#
#   34 GLU  HN           33 LEU  HB-         3.50    (#    709:23  Unique         2.39, 2.92 A)
 &rst
  ixpk= 709, nxpk= 23, iat= 534,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 519, 520,
 &end
#
#    0 AMB  23-2:710      0 AMB  23-1:710    4.50    (#    710:23  Double Ambig)
 &rst
  ixpk= 710, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 463,1458,
 igr2= 519, 520, 519, 520,
 &end
#
#    0 AMB  23-2:711     33 LEU  HB-         4.50    (#    711:23  Single Ambig)
 &rst
  ixpk= 711, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 463,1458,
 igr2= 519, 520,
 &end
#
#   33 LEU  HA           33 LEU  HB+         4.50    (#    712:23  Unique         2.64, 2.81 A)
 &rst
  ixpk= 712, nxpk= 23, iat= 517,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 519, 520,
 &end
#
#   33 LEU  HA           33 LEU  HB-         4.50    (#    713:23  Unique         2.64, 2.81 A)
 &rst
  ixpk= 713, nxpk= 23, iat= 517,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 519, 520,
 &end
#
#   33 LEU  HG           33 LEU  HB+         4.50    (#    715:23  Unique         2.36, 2.69 A)
 &rst
  ixpk= 715, nxpk= 23, iat= 522,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 519, 520,
 &end
#
#    0 AMB  23-2:716     33 LEU  HB-         4.50    (#    716:23  Single Ambig)
 &rst
  ixpk= 716, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 522,1381,
 igr2= 519, 520,
 &end
#
#   33 LEU  HB-          33 LEU  HB+         3.50    (#    717:23  Unique         0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
#    0 AMB  23-2:718      0 AMB  23-1:718    3.50    (#    718:23  Double Ambig)
 &rst
  ixpk= 718, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1=1462,1463,1464,1466,1467,1468, 524, 525, 526, 528,
       529, 530,
 igr2= 519, 520, 519, 520,
 &end
#
#    0 AMB  23-2:719     33 LEU  HB-         3.50    (#    719:23  Single Ambig)
 &rst
  ixpk= 719, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1462,1463,1464,1466,1467,1468, 524, 525, 526, 528,
       529, 530,
 igr2= 519, 520,
 &end
#
#   92 LEU  MDX          33 LEU  HB-         5.50    (#    720:23  Unique         3.37, 5.35 A)
 &rst
  ixpk= 720, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1383,1384,1385,1387,1388,1389,
 igr2= 519, 520,
 &end
#
#   92 LEU  MDY          33 LEU  HB-         5.60    (#    721:23  Unique         3.37, 5.35 A)
 &rst
  ixpk= 721, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.47, r4= 9.22,
 igr1=1383,1384,1385,1387,1388,1389,
 igr2= 519, 520,
 &end
#
#   16 GLU  HN           15 ASP  HB-         5.50    (#    725:23  Unique         2.73, 3.31 A)
 &rst
  ixpk= 725, nxpk= 23, iat= 240,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 232, 233,
 &end
#
#   15 ASP  HA           15 ASP  HB-         4.50    (#    727:23  Unique         2.34, 2.77 A)
 &rst
  ixpk= 727, nxpk= 23, iat= 230,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 232, 233,
 &end
#
#   19 ASP  HN           19 ASP  HB-         4.50    (#    729:23  Unique         2.21, 2.60 A)
 &rst
  ixpk= 729, nxpk= 23, iat= 284,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 288, 289,
 &end
#
#   20 ASN  HN           19 ASP  HB-         4.50    (#    731:23  Unique         2.61, 3.31 A)
 &rst
  ixpk= 731, nxpk= 23, iat= 296,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 288, 289,
 &end
#
#   16 GLU  HA           19 ASP  HB-         4.50    (#    732:23  Unique         2.55, 3.24 A)
 &rst
  ixpk= 732, nxpk= 23, iat= 242,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 288, 289,
 &end
#
#    0 AMB  23-2:735      0 AMB  23-1:735    5.50    (#    735:23  Double Ambig)
 &rst
  ixpk= 735, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.58, r4=10.33,
 igr1= 216, 269, 244, 245, 244, 245, 336,
 igr2= 232, 233, 288, 289,
 &end
#
#    0 AMB  23-2:736      0 AMB  23-1:736    5.50    (#    736:23  Double Ambig)
 &rst
  ixpk= 736, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
 igr1= 278, 279, 280, 218, 219, 220, 222, 223, 224, 271,
       272, 273,
 igr2= 232, 233, 288, 289,
 &end
#
#   22 LEU  HN           22 LEU  HB-         5.50    (#    738:23  Unique         2.25, 2.51 A)
 &rst
  ixpk= 738, nxpk= 23, iat= 329,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 333, 334,
 &end
#
#   24 TYR  HN           24 TYR  HB+         4.50    (#    740:23  Unique         2.10, 2.61 A)
 &rst
  ixpk= 740, nxpk= 23, iat= 372,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 376, 377,
 &end
#
#   24 TYR  HN           24 TYR  HB-         3.50    (#    741:23  Unique         2.10, 2.61 A)
 &rst
  ixpk= 741, nxpk= 23, iat= 372,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 376, 377,
 &end
#
#   25 THR  HN           24 TYR  HB+         5.50    (#    742:23  Unique         2.28, 2.97 A)
 &rst
  ixpk= 742, nxpk= 23, iat= 393,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 376, 377,
 &end
#
#   25 THR  HN           24 TYR  HB-         3.50    (#    743:23  Unique         2.28, 2.97 A)
 &rst
  ixpk= 743, nxpk= 23, iat= 393,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 376, 377,
 &end
#
#   23 ARG  HN           22 LEU  HB-         5.50    (#    745:23  Unique         2.43, 3.21 A)
 &rst
  ixpk= 745, nxpk= 23, iat= 348,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 333, 334,
 &end
#
#   24 TYR  HA           24 TYR  HB+         4.50    (#    748:23  Unique         2.39, 2.76 A)
 &rst
  ixpk= 748, nxpk= 23, iat= 374,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 376, 377,
 &end
#
#   24 TYR  HA           24 TYR  HB-         3.50    (#    749:23  Unique         2.39, 2.76 A)
 &rst
  ixpk= 749, nxpk= 23, iat= 374,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 376, 377,
 &end
#
#   19 ASP  HA           19 ASP  HB-         4.50    (#    751:23  Unique         2.35, 2.73 A)
 &rst
  ixpk= 751, nxpk= 23, iat= 286,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 288, 289,
 &end
#
#   22 LEU  HA           22 LEU  HB-         4.50    (#    756:23  Unique         2.32, 2.66 A)
 &rst
  ixpk= 756, nxpk= 23, iat= 331,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 333, 334,
 &end
#
#   21 ILE  HA           24 TYR  HB-         4.50    (#    757:23  Unique         2.00, 2.63 A)
 &rst
  ixpk= 757, nxpk= 23, iat= 312,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 376, 377,
 &end
#
#   24 TYR  HB+          24 TYR  HB-         3.50    (#    758:23  Unique         0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
#   24 TYR  HB-          24 TYR  HB+         3.50    (#    759:23  Unique         0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
#   22 LEU  HG           22 LEU  HB-         4.50    (#    761:23  Unique         2.38, 2.70 A)
 &rst
  ixpk= 761, nxpk= 23, iat= 336,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 333, 334,
 &end
#
#    0 AMB  23-2:762     22 LEU  HB-         4.50    (#    762:23  Single Ambig)
 &rst
  ixpk= 762, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 352, 353, 352, 353,
 igr2= 333, 334,
 &end
#
#   25 THR  MG2          24 TYR  HB+         5.60    (#    764:23  Unique         3.28, 5.52 A)
 &rst
  ixpk= 764, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.55, r4= 8.30,
 igr1= 399, 400, 401,
 igr2= 376, 377,
 &end
#
#   25 THR  MG2          24 TYR  HB-         5.50    (#    765:23  Unique         3.28, 5.52 A)
 &rst
  ixpk= 765, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 399, 400, 401,
 igr2= 376, 377,
 &end
#
#   22 LEU  MDX          22 LEU  HB-         4.50    (#    767:23  Unique         2.23, 3.30 A)
 &rst
  ixpk= 767, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 338, 339, 340, 342, 343, 344,
 igr2= 333, 334,
 &end
#
#   21 ILE  HG1+         24 TYR  HB-         5.50    (#    768:23  Unique         4.34, 4.97 A)
 &rst
  ixpk= 768, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 320, 321,
 igr2= 376, 377,
 &end
#
#   22 LEU  MDY          22 LEU  HB-         4.50    (#    770:23  Unique         2.23, 3.30 A)
 &rst
  ixpk= 770, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 338, 339, 340, 342, 343, 344,
 igr2= 333, 334,
 &end
#
#   19 ASP  HN           18 ILE  HB          4.50    (#    772:23  Unique         2.62, 2.68 A)
 &rst
  ixpk= 772, nxpk= 23, iat= 284, 269, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   18 ILE  HN           18 ILE  HB          4.50    (#    774:23  Unique         2.52, 2.53 A)
 &rst
  ixpk= 774, nxpk= 23, iat= 265, 269, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   10 ASN  HA           10 ASN  HB-         4.50    (#    779:23  Unique         2.33, 2.82 A)
 &rst
  ixpk= 779, nxpk= 23, iat= 144,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 146, 147,
 &end
#
#   15 ASP  HA           18 ILE  HB          4.50    (#    780:23  Unique         2.73, 2.75 A)
 &rst
  ixpk= 780, nxpk= 23, iat= 230, 269, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   18 ILE  HA           18 ILE  HB          5.50    (#    781:23  Unique         3.02, 3.02 A)
 &rst
  ixpk= 781, nxpk= 23, iat= 267, 269, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  23-2:782     18 ILE  HB          3.50    (#    782:23  Single Ambig)
 &rst
  ixpk= 782, nxpk= 23, iat=  -1, 269, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 271, 272, 273, 278, 279, 280, 218, 219, 220, 222,
       223, 224,
 &end
#
#   81 TYR  HN           81 TYR  HB-         3.50    (#    784:23  Unique         2.13, 3.19 A)
 &rst
  ixpk= 784, nxpk= 23, iat=1197,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1201,1202,
 &end
#
#   47 ILE  HN           47 ILE  HB          4.50    (#    793:23  Unique         3.61, 3.61 A)
 &rst
  ixpk= 793, nxpk= 23, iat= 723, 727, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   20 ASN  HN           20 ASN  HB+         4.50    (#    794:23  Unique         2.12, 2.57 A)
 &rst
  ixpk= 794, nxpk= 23, iat= 296,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 300, 301,
 &end
#
#   21 ILE  HN           20 ASN  HB+         4.50    (#    796:23  Unique         2.34, 2.92 A)
 &rst
  ixpk= 796, nxpk= 23, iat= 310,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 300, 301,
 &end
#
#   21 ILE  HN           20 ASN  HB-         4.50    (#    797:23  Unique         2.34, 2.92 A)
 &rst
  ixpk= 797, nxpk= 23, iat= 310,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 300, 301,
 &end
#
#   48 ALA  HN           47 ILE  HB          4.50    (#    799:23  Unique         3.89, 3.93 A)
 &rst
  ixpk= 799, nxpk= 23, iat= 742, 727, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   81 TYR  HA           81 TYR  HB+         3.50    (#    801:23  Unique         2.36, 2.71 A)
 &rst
  ixpk= 801, nxpk= 23, iat=1199,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1201,1202,
 &end
#
#   20 ASN  HA           20 ASN  HB-         3.50    (#    802:23  Unique         2.57, 2.82 A)
 &rst
  ixpk= 802, nxpk= 23, iat= 298,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 300, 301,
 &end
#
#   17 ALA  HA           20 ASN  HB+         4.50    (#    803:23  Unique         2.81, 3.16 A)
 &rst
  ixpk= 803, nxpk= 23, iat= 257,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 300, 301,
 &end
#
#   20 ASN  HB+          20 ASN  HB-         3.50    (#    804:23  Unique         0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
#   47 ILE  MG2          47 ILE  HB          4.50    (#    806:23  Unique         2.22, 2.63 A)
 &rst
  ixpk= 806, nxpk= 23, iat=  -1, 727, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 729, 730, 731,
 &end
#
#    0 AMB  23-2:808      0 AMB  23-1:808    4.50    (#    808:23  Double Ambig)
 &rst
  ixpk= 808, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 320, 321, 323, 324, 325,
 igr2= 300, 301, 300, 301,
 &end
#
#    0 AMB  23-2:809     20 ASN  HB-         4.50    (#    809:23  Single Ambig)
 &rst
  ixpk= 809, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 320, 321, 323, 324, 325,
 igr2= 300, 301,
 &end
#
#   32 PHE  HN           32 PHE  HB+         3.50    (#    811:23  Unique         2.16, 2.58 A)
 &rst
  ixpk= 811, nxpk= 23, iat= 495,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 499, 500,
 &end
#
#   32 PHE  HD           32 PHE  HB+         3.50    (#    812:23  Unique         2.28, 3.05 A)
 &rst
  ixpk= 812, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 503, 511,
 igr2= 499, 500,
 &end
#
#   44 ARG  HA           47 ILE  HB          5.50    (#    815:23  Unique         4.85, 4.97 A)
 &rst
  ixpk= 815, nxpk= 23, iat= 672, 727, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   29 GLU  HA           32 PHE  HB+         4.50    (#    817:23  Unique         3.24, 3.51 A)
 &rst
  ixpk= 817, nxpk= 23, iat= 448,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 499, 500,
 &end
#
#   47 ILE  HA           47 ILE  HB          3.50    (#    818:23  Unique         2.40, 2.40 A)
 &rst
  ixpk= 818, nxpk= 23, iat= 725, 727, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  23-2:819      0 AMB  23-1:819    4.50    (#    819:23  Double Ambig)
 &rst
  ixpk= 819, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1268,1269,1285,1286,
 igr2=1340,1341,1340,1341,
 &end
#
#   22 LEU  MDY          32 PHE  HB+         3.50    (#    820:23  Unique         2.65, 4.48 A)
 &rst
  ixpk= 820, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 338, 339, 340, 342, 343, 344,
 igr2= 499, 500,
 &end
#
#   92 LEU  MDY          32 PHE  HB+         5.60    (#    822:23  Unique         2.22, 4.33 A)
 &rst
  ixpk= 822, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.47, r4= 9.22,
 igr1=1383,1384,1385,1387,1388,1389,
 igr2= 499, 500,
 &end
#
#   22 LEU  HN           21 ILE  HB          5.50    (#    825:23  Unique         2.48, 2.56 A)
 &rst
  ixpk= 825, nxpk= 23, iat= 329, 314, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   90 ASN  HN           90 ASN  HB+         4.50    (#    827:23  Unique         2.07, 2.68 A)
 &rst
  ixpk= 827, nxpk= 23, iat=1336,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1340,1341,
 &end
#
#   21 ILE  HN           21 ILE  HB          3.50    (#    828:23  Unique         2.40, 2.43 A)
 &rst
  ixpk= 828, nxpk= 23, iat= 310, 314, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   91 ARG  HN           90 ASN  HB+         4.50    (#    829:23  Unique         2.24, 2.85 A)
 &rst
  ixpk= 829, nxpk= 23, iat=1350,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1340,1341,
 &end
#
#   26 ASN  HN           26 ASN  HB+         4.50    (#    830:23  Unique         3.08, 3.53 A)
 &rst
  ixpk= 830, nxpk= 23, iat= 407,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 411, 412,
 &end
#
#   26 ASN  HN           26 ASN  HB-         5.50    (#    831:23  Unique         3.08, 3.53 A)
 &rst
  ixpk= 831, nxpk= 23, iat= 407,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 411, 412,
 &end
#
#   32 PHE  HE           21 ILE  HB          5.50    (#    836:23  Unique         3.53, 4.04 A)
 &rst
  ixpk= 836, nxpk= 23, iat=  -1, 314, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 505, 509,
 &end
#
#   26 ASN  HA           26 ASN  HB+         4.50    (#    840:23  Unique         2.37, 2.79 A)
 &rst
  ixpk= 840, nxpk= 23, iat= 409,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 411, 412,
 &end
#
#   26 ASN  HA           26 ASN  HB-         4.50    (#    841:23  Unique         2.37, 2.79 A)
 &rst
  ixpk= 841, nxpk= 23, iat= 409,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 411, 412,
 &end
#
#   90 ASN  HA           90 ASN  HB+         4.50    (#    842:23  Unique         2.38, 2.81 A)
 &rst
  ixpk= 842, nxpk= 23, iat=1338,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1340,1341,
 &end
#
#   87 GLN  HA           90 ASN  HB+         4.50    (#    843:23  Unique         2.72, 3.46 A)
 &rst
  ixpk= 843, nxpk= 23, iat=1283,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1340,1341,
 &end
#
#   18 ILE  HA           21 ILE  HB          3.50    (#    846:23  Unique         3.01, 3.12 A)
 &rst
  ixpk= 846, nxpk= 23, iat= 267, 314, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   26 ASN  HB+          26 ASN  HB-         3.50    (#    847:23  Unique         0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
#   26 ASN  HB-          26 ASN  HB+         3.50    (#    848:23  Unique         0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
#    0 AMB  23-2:850      0 AMB  23-1:850    4.50    (#    850:23  Double Ambig)
 &rst
  ixpk= 850, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1321,1322,1397,1398,
 igr2=1340,1341,1340,1341,
 &end
#
#    0 AMB  23-2:855     21 ILE  HB          4.50    (#    855:23  Single Ambig)
 &rst
  ixpk= 855, nxpk= 23, iat=  -1, 314, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 323, 324, 325, 320, 321,
 &end
#
#   21 ILE  MG2          21 ILE  HB          4.50    (#    859:23  Unique         2.38, 2.63 A)
 &rst
  ixpk= 859, nxpk= 23, iat=  -1, 314, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 316, 317, 318,
 &end
#
#   88 ILE  HN           88 ILE  HB          4.50    (#    862:23  Unique         2.53, 2.55 A)
 &rst
  ixpk= 862, nxpk= 23, iat=1298,1302, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  23-2:863     88 ILE  HB          4.50    (#    863:23  Single Ambig)
 &rst
  ixpk= 863, nxpk= 23, iat=  -1,1302, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1255,1257,1258,1266,
 &end
#
#   88 ILE  HA           88 ILE  HB          3.50    (#    864:23  Unique         3.02, 3.02 A)
 &rst
  ixpk= 864, nxpk= 23, iat=1300,1302, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   43 VAL  MGX          88 ILE  HB          5.50    (#    865:23  Unique         3.72, 6.79 A)
 &rst
  ixpk= 865, nxpk= 23, iat=  -1,1302, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 660, 661, 662, 664, 665, 666,
 &end
#
#    0 AMB  23-2:866     88 ILE  HB          4.50    (#    866:23  Single Ambig)
 &rst
  ixpk= 866, nxpk= 23, iat=  -1,1302, r1= 0.00, r2= 1.80, r3= 6.71, r4= 7.46,
 igr1=1308,1309, 278, 279, 280, 218, 219, 220, 222, 223,
       224,
 &end
#
#   88 ILE  MG2          88 ILE  HB          4.50    (#    867:23  Unique         2.26, 2.63 A)
 &rst
  ixpk= 867, nxpk= 23, iat=  -1,1302, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1304,1305,1306,
 &end
#
#   13 GLU  HN           13 GLU  HG+         4.50    (#    868:23  Unique         2.06, 4.08 A)
 &rst
  ixpk= 868, nxpk= 23, iat= 197,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 204, 205,
 &end
#
#   46 ALA  HN           45 ILE  HB          4.50    (#    869:23  Unique         2.50, 2.67 A)
 &rst
  ixpk= 869, nxpk= 23, iat= 713, 698, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  23-2:870      0 AMB  23-1:870    5.50    (#    870:23  Double Ambig)
 &rst
  ixpk= 870, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 212, 240,
 igr2= 204, 205, 204, 205,
 &end
#
#   45 ILE  HN           45 ILE  HB          4.50    (#    871:23  Unique         2.62, 2.63 A)
 &rst
  ixpk= 871, nxpk= 23, iat= 694, 698, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   39 THR  HB           45 ILE  HB          4.50    (#    872:23  Unique         2.00, 2.14 A)
 &rst
  ixpk= 872, nxpk= 23, iat= 606, 698, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   13 GLU  HA           13 GLU  HG+         2.80    (#    873:23  Unique         2.12, 2.89 A)
 &rst
  ixpk= 873, nxpk= 23, iat= 199,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 204, 205,
 &end
#
#    0 AMB  23-2:874     45 ILE  HB          4.50    (#    874:23  Single Ambig)
 &rst
  ixpk= 874, nxpk= 23, iat=  -1, 698, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 696, 656,
 &end
#
#    0 AMB  23-2:875      0 AMB  23-1:875    3.50    (#    875:23  Double Ambig)
 &rst
  ixpk= 875, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 201, 202, 244, 245,
 igr2= 204, 205, 204, 205,
 &end
#
#   42 ARG  HB-          45 ILE  HB          4.50    (#    876:23  Unique         2.75, 3.34 A)
 &rst
  ixpk= 876, nxpk= 23, iat=  -1, 698, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 634, 635,
 &end
#
#    0 AMB  23-2:877     45 ILE  HB          4.50    (#    877:23  Single Ambig)
 &rst
  ixpk= 877, nxpk= 23, iat=  -1, 698, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
 igr1= 762, 763, 677, 678, 746, 747, 748,
 &end
#
#   45 ILE  HG1-         45 ILE  HB          4.50    (#    878:23  Unique         2.45, 2.75 A)
 &rst
  ixpk= 878, nxpk= 23, iat=  -1, 698, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 704, 705,
 &end
#
#   39 THR  MG2          45 ILE  HB          4.50    (#    879:23  Unique         2.14, 3.08 A)
 &rst
  ixpk= 879, nxpk= 23, iat=  -1, 698, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 608, 609, 610,
 &end
#
#   45 ILE  MG2          45 ILE  HB          4.50    (#    880:23  Unique         2.37, 2.63 A)
 &rst
  ixpk= 880, nxpk= 23, iat=  -1, 698, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 700, 701, 702,
 &end
#
#   45 ILE  MD1          45 ILE  HB          5.50    (#    882:23  Unique         2.37, 3.12 A)
 &rst
  ixpk= 882, nxpk= 23, iat=  -1, 698, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 707, 708, 709,
 &end
#
#    9 VAL  MGY          13 GLU  HG+         5.50    (#    883:23  Unique         2.90, 6.46 A)
 &rst
  ixpk= 883, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 132, 133, 134, 136, 137, 138,
 igr2= 204, 205,
 &end
#
#   16 GLU  HN           16 GLU  HG+         4.50    (#    887:23  Unique         4.43, 4.45 A)
 &rst
  ixpk= 887, nxpk= 23, iat= 240,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 247, 248,
 &end
#
#   17 ALA  HA           16 GLU  HG+         3.50    (#    894:23  Unique         3.52, 4.30 A)
 &rst
  ixpk= 894, nxpk= 23, iat= 257,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 247, 248,
 &end
#
#   16 GLU  HA           16 GLU  HG+         3.50    (#    895:23  Unique         2.53, 2.82 A)
 &rst
  ixpk= 895, nxpk= 23, iat= 242,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 247, 248,
 &end
#
#   33 LEU  MDY          34 GLU  HG+         4.50    (#    902:23  Unique         4.70, 6.12 A)
 &rst
  ixpk= 902, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 524, 525, 526, 528, 529, 530,
 igr2= 541, 542,
 &end
#
#   37 GLU  HN           34 GLU  HG+         5.50    (#    903:23  Unique         5.36, 5.90 A)
 &rst
  ixpk= 903, nxpk= 23, iat= 576,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 541, 542,
 &end
#
#   91 ARG  HA           94 GLU  HG+         4.50    (#    908:23  Unique         2.10, 3.65 A)
 &rst
  ixpk= 908, nxpk= 23, iat=1352,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1424,1425,
 &end
#
#    0 AMB  23-2:913      0 AMB  23-1:913    3.50    (#    913:23  Double Ambig)
 &rst
  ixpk= 913, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1421,1422, 580, 581, 519, 520,
 igr2=1424,1425, 541, 542, 541, 542,
 &end
#
#   93 ARG  HG-          94 GLU  HG+         5.60    (#    914:23  Unique         5.07, 6.38 A)
 &rst
  ixpk= 914, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.06, r4= 7.81,
 igr1=1400,1401,
 igr2=1424,1425,
 &end
#
#   36 MET  HN           36 MET  HG+         4.50    (#    917:23  Unique         2.15, 2.94 A)
 &rst
  ixpk= 917, nxpk= 23, iat= 559,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 566, 567,
 &end
#
#   36 MET  HN           36 MET  HG-         5.50    (#    918:23  Unique         2.15, 2.94 A)
 &rst
  ixpk= 918, nxpk= 23, iat= 559,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 566, 567,
 &end
#
#   32 PHE  HD           36 MET  HG+         4.50    (#    919:23  Unique         3.50, 4.58 A)
 &rst
  ixpk= 919, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 503, 511,
 igr2= 566, 567,
 &end
#
#   32 PHE  HD           36 MET  HG-         4.50    (#    920:23  Unique         3.50, 4.58 A)
 &rst
  ixpk= 920, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 503, 511,
 igr2= 566, 567,
 &end
#
#   32 PHE  HE           36 MET  HG+         4.50    (#    921:23  Unique         3.38, 4.67 A)
 &rst
  ixpk= 921, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 505, 509,
 igr2= 566, 567,
 &end
#
#   32 PHE  HE           36 MET  HG-         4.50    (#    922:23  Unique         3.38, 4.67 A)
 &rst
  ixpk= 922, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 505, 509,
 igr2= 566, 567,
 &end
#
#   36 MET  HA           36 MET  HG+         5.50    (#    923:23  Unique         3.06, 3.45 A)
 &rst
  ixpk= 923, nxpk= 23, iat= 561,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 566, 567,
 &end
#
#   36 MET  HA           36 MET  HG-         5.50    (#    924:23  Unique         3.06, 3.45 A)
 &rst
  ixpk= 924, nxpk= 23, iat= 561,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 566, 567,
 &end
#
#   33 LEU  HA           36 MET  HG+         5.60    (#    925:23  Unique         4.35, 4.65 A)
 &rst
  ixpk= 925, nxpk= 23, iat= 517,  -1, r1= 0.00, r2= 1.80, r3= 6.29, r4= 7.04,
 igr2= 566, 567,
 &end
#
#   33 LEU  HA           36 MET  HG-         5.50    (#    926:23  Unique         4.35, 4.65 A)
 &rst
  ixpk= 926, nxpk= 23, iat= 517,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 566, 567,
 &end
#
#   36 MET  HB+          36 MET  HG+         5.50    (#    927:23  Unique         2.39, 2.57 A)
 &rst
  ixpk= 927, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 563, 564,
 igr2= 566, 567,
 &end
#
#   36 MET  HB+          36 MET  HG-         4.50    (#    928:23  Unique         2.39, 2.57 A)
 &rst
  ixpk= 928, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 563, 564,
 igr2= 566, 567,
 &end
#
#   36 MET  HG+          36 MET  HG-         3.50    (#    929:23  Unique         0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
#   92 LEU  HB+          36 MET  HG+         5.50    (#    930:23  Unique         4.02, 4.81 A)
 &rst
  ixpk= 930, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1378,1379,
 igr2= 566, 567,
 &end
#
#   92 LEU  HB+          36 MET  HG-         4.50    (#    931:23  Unique         4.02, 4.81 A)
 &rst
  ixpk= 931, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1378,1379,
 igr2= 566, 567,
 &end
#
#    0 AMB  23-2:933      0 AMB  23-1:933    5.50    (#    933:23  Double Ambig)
 &rst
  ixpk= 933, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=1304,1305,1306,1326,1327,1328,1330,1331,1332,
 igr2= 566, 567, 566, 567,
 &end
#
#    0 AMB  23-2:934     36 MET  HG-         4.50    (#    934:23  Single Ambig)
 &rst
  ixpk= 934, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1304,1305,1306,1326,1327,1328,1330,1331,1332,
 igr2= 566, 567,
 &end
#
#   92 LEU  MDX          36 MET  HG-         4.50    (#    935:23  Unique         1.99, 4.04 A)
 &rst
  ixpk= 935, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1383,1384,1385,1387,1388,1389,
 igr2= 566, 567,
 &end
#
#   92 LEU  MDX          36 MET  HG+         4.50    (#    936:23  Unique         1.99, 4.04 A)
 &rst
  ixpk= 936, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1383,1384,1385,1387,1388,1389,
 igr2= 566, 567,
 &end
#
#   92 LEU  MDY          36 MET  HG-         5.50    (#    937:23  Unique         1.99, 4.04 A)
 &rst
  ixpk= 937, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1383,1384,1385,1387,1388,1389,
 igr2= 566, 567,
 &end
#
#   92 LEU  MDY          36 MET  HG+         5.50    (#    938:23  Unique         1.99, 4.04 A)
 &rst
  ixpk= 938, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1383,1384,1385,1387,1388,1389,
 igr2= 566, 567,
 &end
#
#   28 THR  HN           31 GLN  HG+         5.50    (#    939:23  Unique         1.95, 2.66 A)
 &rst
  ixpk= 939, nxpk= 23, iat= 432,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 485, 486,
 &end
#
#   31 GLN  HN           31 GLN  HG+         4.50    (#    942:23  Unique         1.95, 2.66 A)
 &rst
  ixpk= 942, nxpk= 23, iat= 478,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 485, 486,
 &end
#
#   31 GLN  HA           31 GLN  HG+         3.50    (#    947:23  Unique         2.41, 3.34 A)
 &rst
  ixpk= 947, nxpk= 23, iat= 480,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 485, 486,
 &end
#
#   31 GLN  HB-          31 GLN  HG+         4.50    (#    949:23  Unique         2.21, 2.62 A)
 &rst
  ixpk= 949, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 482, 483,
 igr2= 485, 486,
 &end
#
#   28 THR  MG2          31 GLN  HG+         5.50    (#    950:23  Unique         2.15, 4.82 A)
 &rst
  ixpk= 950, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 438, 439, 440,
 igr2= 485, 486,
 &end
#
#   30 GLN  HN           30 GLN  HG+         4.50    (#    951:23  Unique         1.97, 2.51 A)
 &rst
  ixpk= 951, nxpk= 23, iat= 461,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 468, 469,
 &end
#
#   30 GLN  HN           30 GLN  HG-         3.50    (#    952:23  Unique         1.97, 2.51 A)
 &rst
  ixpk= 952, nxpk= 23, iat= 461,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 468, 469,
 &end
#
#   86 GLN  HN           86 GLN  HG+         3.50    (#    953:23  Unique         1.95, 2.62 A)
 &rst
  ixpk= 953, nxpk= 23, iat=1264,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1271,1272,
 &end
#
#    0 AMB  23-2:954      0 AMB  23-1:954    4.50    (#    954:23  Double Ambig)
 &rst
  ixpk= 954, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1281,1230,
 igr2=1271,1272,1271,1272,
 &end
#
#    0 AMB  23-2:958      0 AMB  23-1:958    3.50    (#    958:23  Double Ambig)
 &rst
  ixpk= 958, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 795,1266,1257,1258,
 igr2= 852, 853,1271,1272,1271,1272,
 &end
#
#   30 GLN  HA           30 GLN  HG+         4.50    (#    959:23  Unique         2.53, 3.02 A)
 &rst
  ixpk= 959, nxpk= 23, iat= 463,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 468, 469,
 &end
#
#    0 AMB  23-2:960      0 AMB  23-1:960    4.50    (#    960:23  Double Ambig)
 &rst
  ixpk= 960, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 463,1546,1547,
 igr2= 468, 469,1532,1533,
 &end
#
#    0 AMB  23-2:962      0 AMB  23-1:962    2.80    (#    962:23  Double Ambig)
 &rst
  ixpk= 962, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1529,1530, 849, 850,
 igr2=1532,1533, 852, 853,
 &end
#
#    0 AMB  23-2:965     30 GLN  HG-         4.50    (#    965:23  Single Ambig)
 &rst
  ixpk= 965, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1462,1463,1464,1466,1467,1468,1462,1463,1464,1466,
      1467,1468,
 igr2= 468, 469,
 &end
#
#   54 GLN  HA           54 GLN  HG+         4.50    (#    966:23  Unique         2.03, 2.90 A)
 &rst
  ixpk= 966, nxpk= 23, iat= 847,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 852, 853,
 &end
#
#   36 MET  HG+          36 MET  HB-         5.60    (#    967:23  Unique         2.39, 2.57 A)
 &rst
  ixpk= 967, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.06, r4= 7.81,
 igr1= 566, 567,
 igr2= 563, 564,
 &end
#
#   92 LEU  HB+          36 MET  HB-         5.60    (#    969:23  Unique         4.14, 4.88 A)
 &rst
  ixpk= 969, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.06, r4= 7.81,
 igr1=1378,1379,
 igr2= 563, 564,
 &end
#
#    0 AMB  23-2:972      0 AMB  23-1:972    5.50    (#    972:23  Double Ambig)
 &rst
  ixpk= 972, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 576, 623,
 igr2= 563, 564, 563, 564,
 &end
#
#    0 AMB  23-2:973     36 MET  HB-         5.50    (#    973:23  Single Ambig)
 &rst
  ixpk= 973, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 576, 623,
 igr2= 563, 564,
 &end
#
#   36 MET  HN           36 MET  HB+         4.50    (#    974:23  Unique         2.47, 3.06 A)
 &rst
  ixpk= 974, nxpk= 23, iat= 559,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 563, 564,
 &end
#
#   36 MET  HN           36 MET  HB-         5.50    (#    975:23  Unique         2.47, 3.06 A)
 &rst
  ixpk= 975, nxpk= 23, iat= 559,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 563, 564,
 &end
#
#   36 MET  HA           36 MET  HB+         5.50    (#    976:23  Unique         2.43, 2.74 A)
 &rst
  ixpk= 976, nxpk= 23, iat= 561,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 563, 564,
 &end
#
#   36 MET  HA           36 MET  HB-         4.50    (#    977:23  Unique         2.43, 2.74 A)
 &rst
  ixpk= 977, nxpk= 23, iat= 561,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 563, 564,
 &end
#
#   33 LEU  HA           36 MET  HB+         5.50    (#    978:23  Unique         3.60, 4.54 A)
 &rst
  ixpk= 978, nxpk= 23, iat= 517,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 563, 564,
 &end
#
#   33 LEU  HA           36 MET  HB-         5.50    (#    979:23  Unique         3.60, 4.54 A)
 &rst
  ixpk= 979, nxpk= 23, iat= 517,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 563, 564,
 &end
#
#   41 GLY  HA-          36 MET  HB-         5.60    (#    980:23  Unique         2.23, 3.96 A)
 &rst
  ixpk= 980, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.06, r4= 7.81,
 igr1= 625, 626,
 igr2= 563, 564,
 &end
#
#   92 LEU  HB+          36 MET  HB+         5.50    (#    982:23  Unique         4.14, 4.88 A)
 &rst
  ixpk= 982, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1378,1379,
 igr2= 563, 564,
 &end
#
#   89 LEU  MDX          36 MET  HB+         4.50    (#    984:23  Unique         1.99, 4.29 A)
 &rst
  ixpk= 984, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1326,1327,1328,1330,1331,1332,
 igr2= 563, 564,
 &end
#
#   89 LEU  MDY          36 MET  HB+         4.50    (#    985:23  Unique         1.99, 4.29 A)
 &rst
  ixpk= 985, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1326,1327,1328,1330,1331,1332,
 igr2= 563, 564,
 &end
#
#   89 LEU  MDY          36 MET  HB-         4.50    (#    986:23  Unique         1.99, 4.29 A)
 &rst
  ixpk= 986, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1326,1327,1328,1330,1331,1332,
 igr2= 563, 564,
 &end
#
#    0 AMB  23-2:992      0 AMB  23-1:992    4.50    (#    992:23  Double Ambig)
 &rst
  ixpk= 992, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1132,1161,
 igr2=1136,1137,1136,1137,
 &end
#
#   77 LYS  HA           77 LYS  HB+         3.50    (#    996:23  Unique         2.35, 2.69 A)
 &rst
  ixpk= 996, nxpk= 23, iat=1134,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1136,1137,
 &end
#
#   63 LYS  HG+          63 LYS  HB-         3.50    (#    999:23  Unique         2.21, 2.64 A)
 &rst
  ixpk= 999, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 944, 945,
 igr2= 941, 942,
 &end
#
#   79 MET  HN           79 MET  HB+         4.50    (#   1000:23  Unique         2.19, 3.31 A)
 &rst
  ixpk= 1000, nxpk= 23, iat=1161,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1165,1166,
 &end
#
#   79 MET  HA           79 MET  HB+         3.50    (#   1002:23  Unique         2.35, 2.69 A)
 &rst
  ixpk= 1002, nxpk= 23, iat=1163,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1165,1166,
 &end
#
#   53 LYS  HA           53 LYS  HB-         3.50    (#   1003:23  Unique         2.33, 2.57 A)
 &rst
  ixpk= 1003, nxpk= 23, iat= 825,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 827, 828,
 &end
#
#    9 VAL  MGY           9 VAL  HB          3.50    (#   1004:23  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1004, nxpk= 23, iat=  -1, 130, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 132, 133, 134, 136, 137, 138,
 &end
#
#   44 ARG  HN           43 VAL  HB          4.50    (#   1005:23  Unique         2.53, 3.88 A)
 &rst
  ixpk= 1005, nxpk= 23, iat= 670, 658, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   43 VAL  HN           43 VAL  HB          4.50    (#   1006:23  Unique         2.44, 2.48 A)
 &rst
  ixpk= 1006, nxpk= 23, iat= 654, 658, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   77 LYS  HN           76 VAL  HB          5.50    (#   1007:23  Unique         1.95, 3.27 A)
 &rst
  ixpk= 1007, nxpk= 23, iat=1132,1120, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   53 LYS  HN           53 LYS  HB-         3.50    (#   1009:23  Unique         2.20, 3.21 A)
 &rst
  ixpk= 1009, nxpk= 23, iat= 823,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 827, 828,
 &end
#
#    0 AMB  23-2:1012    43 VAL  HB          5.50    (#   1012:23  Single Ambig)
 &rst
  ixpk= 1012, nxpk= 23, iat=  -1, 658, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1257,1258,1255,
 &end
#
#   43 VAL  HA           43 VAL  HB          4.50    (#   1014:23  Unique         2.46, 2.52 A)
 &rst
  ixpk= 1014, nxpk= 23, iat= 656, 658, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   79 MET  HB+          79 MET  HG-         3.50    (#   1017:23  Unique         2.21, 2.69 A)
 &rst
  ixpk= 1017, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1165,1166,
 igr2=1168,1169,
 &end
#
#   53 LYS  HG+          53 LYS  HB-         3.50    (#   1019:23  Unique         2.21, 2.66 A)
 &rst
  ixpk= 1019, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 830, 831,
 igr2= 827, 828,
 &end
#
#   43 VAL  MGX          43 VAL  HB          4.50    (#   1020:23  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1020, nxpk= 23, iat=  -1, 658, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 660, 661, 662, 664, 665, 666,
 &end
#
#   43 VAL  MGY          43 VAL  HB          4.50    (#   1021:23  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1021, nxpk= 23, iat=  -1, 658, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 660, 661, 662, 664, 665, 666,
 &end
#
#    0 AMB  23-2:1022     0 AMB  23-1:1022   3.50    (#   1022:23  Double Ambig)
 &rst
  ixpk= 1022, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 752, 774,
 igr2= 756, 757, 756, 757,
 &end
#
#   79 MET  HN           79 MET  HG-         5.60    (#   1023:23  Unique         2.19, 3.81 A)
 &rst
  ixpk= 1023, nxpk= 23, iat=1161,  -1, r1= 0.00, r2= 1.80, r3= 6.29, r4= 7.04,
 igr2=1168,1169,
 &end
#
#   79 MET  HN           79 MET  HG+         5.60    (#   1024:23  Unique         2.19, 3.81 A)
 &rst
  ixpk= 1024, nxpk= 23, iat=1161,  -1, r1= 0.00, r2= 1.80, r3= 6.29, r4= 7.04,
 igr2=1168,1169,
 &end
#
#   76 VAL  HN           76 VAL  HB          5.50    (#   1025:23  Unique         2.46, 3.29 A)
 &rst
  ixpk= 1025, nxpk= 23, iat=1116,1120, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   79 MET  HA           79 MET  HG-         4.50    (#   1027:23  Unique         2.04, 3.10 A)
 &rst
  ixpk= 1027, nxpk= 23, iat=1163,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1168,1169,
 &end
#
#   49 LYS  HA           49 LYS  HB+         3.50    (#   1028:23  Unique         2.59, 2.85 A)
 &rst
  ixpk= 1028, nxpk= 23, iat= 754,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 756, 757,
 &end
#
#   76 VAL  HA           76 VAL  HB          4.50    (#   1029:23  Unique         2.40, 2.46 A)
 &rst
  ixpk= 1029, nxpk= 23, iat=1118,1120, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  23-2:1030     0 AMB  23-1:1030   3.50    (#   1030:23  Double Ambig)
 &rst
  ixpk= 1030, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 715, 696,
 igr2= 756, 757, 756, 757,
 &end
#
#   49 LYS  HE+          49 LYS  HB+         4.50    (#   1031:23  Unique         2.86, 4.43 A)
 &rst
  ixpk= 1031, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 765, 766,
 igr2= 756, 757,
 &end
#
#   49 LYS  HD+          49 LYS  HB+         3.50    (#   1032:23  Unique         1.93, 2.99 A)
 &rst
  ixpk= 1032, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 762, 763,
 igr2= 756, 757,
 &end
#
#   49 LYS  HG-          49 LYS  HB+         4.50    (#   1033:23  Unique         2.21, 2.67 A)
 &rst
  ixpk= 1033, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 759, 760,
 igr2= 756, 757,
 &end
#
#   39 THR  MG2          49 LYS  HB+         4.50    (#   1034:23  Unique         3.69, 4.84 A)
 &rst
  ixpk= 1034, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 608, 609, 610,
 igr2= 756, 757,
 &end
#
#    0 AMB  23-2:1036    76 VAL  HB          4.50    (#   1036:23  Single Ambig)
 &rst
  ixpk= 1036, nxpk= 23, iat=  -1,1120, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1122,1123,1124,1126,1127,1128,1122,1123,1124,1126,
      1127,1128,
 &end
#
#    0 AMB  23-2:1037     0 AMB  23-1:1037   2.80    (#   1037:23  Double Ambig)
 &rst
  ixpk= 1037, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 228,1456,
 igr2= 216,1460,
 &end
#
#    0 AMB  23-2:1040    96 VAL  HB          3.50    (#   1040:23  Single Ambig)
 &rst
  ixpk= 1040, nxpk= 23, iat=  -1,1460, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1458, 463,1376,
 &end
#
#   14 VAL  HN           14 VAL  HB          4.50    (#   1042:23  Unique         2.60, 2.67 A)
 &rst
  ixpk= 1042, nxpk= 23, iat= 212, 216, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   11 HIS  HA           14 VAL  HB          4.50    (#   1044:23  Unique         2.78, 3.11 A)
 &rst
  ixpk= 1044, nxpk= 23, iat= 158, 216, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  23-2:1046     0 AMB  23-1:1046   2.80    (#   1046:23  Double Ambig)
 &rst
  ixpk= 1046, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 218, 219, 220, 222, 223, 224, 218, 219, 220, 222,
       223, 224,1462,1463,1464,1466,1467,1468,
 igr2= 216,1460,
 &end
#
#   32 PHE  HE           18 ILE  HG1+        5.50    (#   1048:23  Unique         2.63, 5.38 A)
 &rst
  ixpk= 1048, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 505, 509,
 igr2= 275, 276,
 &end
#
#   18 ILE  HN           18 ILE  HG1+        5.50    (#   1049:23  Unique         2.09, 2.81 A)
 &rst
  ixpk= 1049, nxpk= 23, iat= 265,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 275, 276,
 &end
#
#   96 VAL  HN           95 ARG  HB-         5.50    (#   1050:23  Unique         2.17, 2.92 A)
 &rst
  ixpk= 1050, nxpk= 23, iat=1456,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1436,1437,
 &end
#
#   95 ARG  HA           95 ARG  HB-         4.50    (#   1053:23  Unique         2.39, 2.74 A)
 &rst
  ixpk= 1053, nxpk= 23, iat=1434,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1436,1437,
 &end
#
#   95 ARG  HD+          95 ARG  HB-         4.50    (#   1054:23  Unique         2.09, 2.86 A)
 &rst
  ixpk= 1054, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1442,1443,
 igr2=1436,1437,
 &end
#
#   18 ILE  HA           18 ILE  HG1+        5.50    (#   1055:23  Unique         2.59, 2.74 A)
 &rst
  ixpk= 1055, nxpk= 23, iat= 267,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 275, 276,
 &end
#
#    0 AMB  23-2:1057     0 AMB  23-1:1057   4.50    (#   1057:23  Double Ambig)
 &rst
  ixpk= 1057, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 269, 566, 567,
 igr2= 275, 276, 275, 276,
 &end
#
#    0 AMB  23-2:1058     0 AMB  23-1:1058   3.50    (#   1058:23  Double Ambig)
 &rst
  ixpk= 1058, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 271, 272, 273, 278, 279, 280,
 igr2= 275, 276, 275, 276,
 &end
#
#   95 ARG  HN           95 ARG  HB+         4.50    (#   1060:23  Unique         2.23, 2.58 A)
 &rst
  ixpk= 1060, nxpk= 23, iat=1432,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1436,1437,
 &end
#
#   95 ARG  HN           95 ARG  HB-         4.50    (#   1061:23  Unique         2.23, 2.58 A)
 &rst
  ixpk= 1061, nxpk= 23, iat=1432,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1436,1437,
 &end
#
#   96 VAL  HN           95 ARG  HB+         5.50    (#   1062:23  Unique         2.17, 2.92 A)
 &rst
  ixpk= 1062, nxpk= 23, iat=1456,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1436,1437,
 &end
#
#   95 ARG  HA           95 ARG  HB+         4.50    (#   1065:23  Unique         2.39, 2.74 A)
 &rst
  ixpk= 1065, nxpk= 23, iat=1434,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1436,1437,
 &end
#
#   95 ARG  HD+          95 ARG  HB+         3.50    (#   1066:23  Unique         2.09, 2.86 A)
 &rst
  ixpk= 1066, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1442,1443,
 igr2=1436,1437,
 &end
#
#   95 ARG  HD-          95 ARG  HB+         4.50    (#   1067:23  Unique         2.09, 2.86 A)
 &rst
  ixpk= 1067, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1442,1443,
 igr2=1436,1437,
 &end
#
#   95 ARG  HD-          95 ARG  HB-         4.50    (#   1068:23  Unique         2.09, 2.86 A)
 &rst
  ixpk= 1068, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1442,1443,
 igr2=1436,1437,
 &end
#
#   94 GLU  HN           94 GLU  HB-         4.50    (#   1072:23  Unique         2.69, 3.14 A)
 &rst
  ixpk= 1072, nxpk= 23, iat=1417,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1421,1422,
 &end
#
#   71 ARG  HA           71 ARG  HB+         4.50    (#   1074:23  Unique         2.39, 2.73 A)
 &rst
  ixpk= 1074, nxpk= 23, iat=1030,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1032,1033,
 &end
#
#   71 ARG  HA           71 ARG  HB-         5.50    (#   1075:23  Unique         2.39, 2.73 A)
 &rst
  ixpk= 1075, nxpk= 23, iat=1030,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1032,1033,
 &end
#
#   71 ARG  HD+          71 ARG  HB-         5.50    (#   1077:23  Unique         2.03, 3.08 A)
 &rst
  ixpk= 1077, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1038,1039,
 igr2=1032,1033,
 &end
#
#   95 ARG  HN           94 GLU  HB-         5.50    (#   1079:23  Unique         2.38, 3.25 A)
 &rst
  ixpk= 1079, nxpk= 23, iat=1432,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1421,1422,
 &end
#
#   24 TYR  HN           23 ARG  HB-         4.50    (#   1081:23  Unique         2.82, 3.52 A)
 &rst
  ixpk= 1081, nxpk= 23, iat= 372,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 352, 353,
 &end
#
#   23 ARG  HN           23 ARG  HB-         3.50    (#   1082:23  Unique         2.35, 2.62 A)
 &rst
  ixpk= 1082, nxpk= 23, iat= 348,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 352, 353,
 &end
#
#   20 ASN  HA           23 ARG  HB-         4.50    (#   1083:23  Unique         3.18, 4.14 A)
 &rst
  ixpk= 1083, nxpk= 23, iat= 298,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 352, 353,
 &end
#
#    0 AMB  23-2:1086    94 GLU  HB-         4.50    (#   1086:23  Single Ambig)
 &rst
  ixpk= 1086, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1419,1476,1477,
 igr2=1421,1422,
 &end
#
#    0 AMB  23-2:1090    94 GLU  HB-         3.50    (#   1090:23  Single Ambig)
 &rst
  ixpk= 1090, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1424,1425,1436,1437,
 igr2=1421,1422,
 &end
#
#   13 GLU  HN           12 ARG  HB+         4.50    (#   1093:23  Unique         2.17, 3.17 A)
 &rst
  ixpk= 1093, nxpk= 23, iat= 197,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 177, 178,
 &end
#
#   12 ARG  HN           12 ARG  HB+         3.50    (#   1094:23  Unique         2.58, 3.12 A)
 &rst
  ixpk= 1094, nxpk= 23, iat= 173,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 177, 178,
 &end
#
#   88 ILE  HN           88 ILE  HG1+        5.50    (#   1096:23  Unique         2.02, 2.84 A)
 &rst
  ixpk= 1096, nxpk= 23, iat=1298,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1308,1309,
 &end
#
#   21 ILE  HN           21 ILE  HG1+        5.50    (#   1097:23  Unique         2.40, 3.17 A)
 &rst
  ixpk= 1097, nxpk= 23, iat= 310,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 320, 321,
 &end
#
#   93 ARG  HN           93 ARG  HB+         3.50    (#   1098:23  Unique         2.07, 2.73 A)
 &rst
  ixpk= 1098, nxpk= 23, iat=1393,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1397,1398,
 &end
#
#   94 GLU  HN           93 ARG  HB+         4.50    (#   1099:23  Unique         2.44, 2.85 A)
 &rst
  ixpk= 1099, nxpk= 23, iat=1417,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1397,1398,
 &end
#
#   12 ARG  HA           12 ARG  HB+         3.50    (#   1101:23  Unique         2.35, 2.65 A)
 &rst
  ixpk= 1101, nxpk= 23, iat= 175,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 177, 178,
 &end
#
#   93 ARG  HA           93 ARG  HB+         4.50    (#   1103:23  Unique         2.54, 2.84 A)
 &rst
  ixpk= 1103, nxpk= 23, iat=1395,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1397,1398,
 &end
#
#   88 ILE  HA           88 ILE  HG1+        4.50    (#   1104:23  Unique         3.01, 3.40 A)
 &rst
  ixpk= 1104, nxpk= 23, iat=1300,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1308,1309,
 &end
#
#   21 ILE  HA           21 ILE  HG1+        4.50    (#   1106:23  Unique         2.46, 2.69 A)
 &rst
  ixpk= 1106, nxpk= 23, iat= 312,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 320, 321,
 &end
#
#   12 ARG  HD+          12 ARG  HB+         4.50    (#   1107:23  Unique         2.00, 3.50 A)
 &rst
  ixpk= 1107, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 183, 184,
 igr2= 177, 178,
 &end
#
#   93 ARG  HD+          93 ARG  HB+         4.50    (#   1108:23  Unique         2.06, 2.83 A)
 &rst
  ixpk= 1108, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1403,1404,
 igr2=1397,1398,
 &end
#
#   47 ILE  HB           21 ILE  HG1+        4.50    (#   1109:23  Unique         4.52, 5.33 A)
 &rst
  ixpk= 1109, nxpk= 23, iat= 727,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 320, 321,
 &end
#
#   12 ARG  HG+          12 ARG  HB+         2.80    (#   1111:23  Unique         2.21, 2.61 A)
 &rst
  ixpk= 1111, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 180, 181,
 igr2= 177, 178,
 &end
#
#   17 ALA  MB           88 ILE  HG1+        5.50    (#   1112:23  Unique         4.72, 6.14 A)
 &rst
  ixpk= 1112, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 259, 260, 261,
 igr2=1308,1309,
 &end
#
#   88 ILE  MD1          88 ILE  HG1+        3.50    (#   1116:23  Unique         2.20, 2.62 A)
 &rst
  ixpk= 1116, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1311,1312,1313,
 igr2=1308,1309,
 &end
#
#   88 ILE  MG2          88 ILE  HG1+        4.50    (#   1118:23  Unique         2.30, 3.49 A)
 &rst
  ixpk= 1118, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1304,1305,1306,
 igr2=1308,1309,
 &end
#
#   21 ILE  MG2          47 ILE  HG1+        5.50    (#   1119:23  Unique         5.18, 6.05 A)
 &rst
  ixpk= 1119, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 316, 317, 318,
 igr2= 733, 734,
 &end
#
#   21 ILE  MG2          21 ILE  HG1+        4.50    (#   1122:23  Unique         2.44, 3.33 A)
 &rst
  ixpk= 1122, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 316, 317, 318,
 igr2= 320, 321,
 &end
#
#   44 ARG  HN           47 ILE  HG1+        4.50    (#   1125:23  Unique         4.18, 5.14 A)
 &rst
  ixpk= 1125, nxpk= 23, iat= 670,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 733, 734,
 &end
#
#   44 ARG  HN           44 ARG  HB-         3.50    (#   1126:23  Unique         2.57, 3.10 A)
 &rst
  ixpk= 1126, nxpk= 23, iat= 670,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 674, 675,
 &end
#
#   92 LEU  HN           91 ARG  HB+         4.50    (#   1127:23  Unique         2.74, 3.33 A)
 &rst
  ixpk= 1127, nxpk= 23, iat=1374,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1354,1355,
 &end
#
#   47 ILE  HN           47 ILE  HG1+        4.50    (#   1130:23  Unique         2.18, 2.83 A)
 &rst
  ixpk= 1130, nxpk= 23, iat= 723,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 733, 734,
 &end
#
#   47 ILE  HN           47 ILE  HG1-        5.50    (#   1131:23  Unique         2.18, 2.83 A)
 &rst
  ixpk= 1131, nxpk= 23, iat= 723,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 733, 734,
 &end
#
#    0 AMB  23-2:1132     0 AMB  23-1:1132   5.50    (#   1132:23  Double Ambig)
 &rst
  ixpk= 1132, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 265, 296,
 igr2= 244, 245, 244, 245,
 &end
#
#   91 ARG  HN           91 ARG  HB+         4.50    (#   1133:23  Unique         2.13, 2.56 A)
 &rst
  ixpk= 1133, nxpk= 23, iat=1350,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1354,1355,
 &end
#
#   45 ILE  HN           47 ILE  HG1+        4.50    (#   1134:23  Unique         4.30, 5.11 A)
 &rst
  ixpk= 1134, nxpk= 23, iat= 694,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 733, 734,
 &end
#
#   42 ARG  HN           42 ARG  HB-         3.50    (#   1136:23  Unique         2.31, 2.96 A)
 &rst
  ixpk= 1136, nxpk= 23, iat= 630,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 634, 635,
 &end
#
#    0 AMB  23-2:1138    42 ARG  HB-         4.50    (#   1138:23  Single Ambig)
 &rst
  ixpk= 1138, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 632, 606,
 igr2= 634, 635,
 &end
#
#   44 ARG  HA           47 ILE  HG1+        4.50    (#   1139:23  Unique         2.10, 2.79 A)
 &rst
  ixpk= 1139, nxpk= 23, iat= 672,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 733, 734,
 &end
#
#    0 AMB  23-2:1140     0 AMB  23-1:1140   4.50    (#   1140:23  Double Ambig)
 &rst
  ixpk= 1140, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 672,1476,1477,
 igr2= 674, 675,1397,1398,
 &end
#
#   47 ILE  HA           47 ILE  HG1+        4.50    (#   1142:23  Unique         3.68, 3.71 A)
 &rst
  ixpk= 1142, nxpk= 23, iat= 725,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 733, 734,
 &end
#
#   47 ILE  HA           47 ILE  HG1-        4.50    (#   1143:23  Unique         3.68, 3.71 A)
 &rst
  ixpk= 1143, nxpk= 23, iat= 725,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 733, 734,
 &end
#
#   94 GLU  HG+          93 ARG  HB+         4.50    (#   1145:23  Unique         3.02, 4.11 A)
 &rst
  ixpk= 1145, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1424,1425,
 igr2=1397,1398,
 &end
#
#    0 AMB  23-2:1146     0 AMB  23-1:1146   3.50    (#   1146:23  Double Ambig)
 &rst
  ixpk= 1146, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 201, 202, 244, 245,1460,
 igr2= 177, 178, 177, 178,1397,1398,
 &end
#
#   47 ILE  HG1+         47 ILE  HG1-        4.50    (#   1147:23  Unique         0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
#    0 AMB  23-2:1149    47 ILE  HG1-        3.50    (#   1149:23  Single Ambig)
 &rst
  ixpk= 1149, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
 igr1= 727, 674, 675, 797, 798,
 igr2= 733, 734,
 &end
#
#    0 AMB  23-2:1152     0 AMB  23-1:1152   3.50    (#   1152:23  Double Ambig)
 &rst
  ixpk= 1152, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 736, 737, 738, 802, 803, 804, 806, 807, 808,
 igr2= 733, 734, 733, 734,
 &end
#
#    0 AMB  23-2:1153    47 ILE  HG1-        3.50    (#   1153:23  Single Ambig)
 &rst
  ixpk= 1153, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 736, 737, 738, 802, 803, 804, 806, 807, 808,
 igr2= 733, 734,
 &end
#
#   21 ILE  MG2          47 ILE  HG1-        5.50    (#   1156:23  Unique         5.18, 6.05 A)
 &rst
  ixpk= 1156, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 316, 317, 318,
 igr2= 733, 734,
 &end
#
#   49 LYS  HN           49 LYS  HD+         4.50    (#   1158:23  Unique         3.05, 4.06 A)
 &rst
  ixpk= 1158, nxpk= 23, iat= 752,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 762, 763,
 &end
#
#    0 AMB  23-2:1159     0 AMB  23-1:1159   2.80    (#   1159:23  Double Ambig)
 &rst
  ixpk= 1159, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 240, 549,
 igr2= 244, 245, 538, 539,
 &end
#
#   17 ALA  HN           16 GLU  HB+         4.50    (#   1161:23  Unique         2.09, 2.83 A)
 &rst
  ixpk= 1161, nxpk= 23, iat= 255,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 244, 245,
 &end
#
#    0 AMB  23-2:1168     0 AMB  23-1:1168   4.50    (#   1168:23  Double Ambig)
 &rst
  ixpk= 1168, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 754, 595, 596, 595, 596,
 igr2= 762, 763, 762, 763, 762, 763,
 &end
#
#   49 LYS  HE+          49 LYS  HD+         4.50    (#   1171:23  Unique         2.38, 2.57 A)
 &rst
  ixpk= 1171, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 765, 766,
 igr2= 762, 763,
 &end
#
#   49 LYS  HB+          49 LYS  HD+         4.50    (#   1173:23  Unique         1.93, 2.99 A)
 &rst
  ixpk= 1173, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 756, 757,
 igr2= 762, 763,
 &end
#
#   49 LYS  HG-          49 LYS  HD+         3.50    (#   1174:23  Unique         2.22, 2.69 A)
 &rst
  ixpk= 1174, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 759, 760,
 igr2= 762, 763,
 &end
#
#   39 THR  MG2          49 LYS  HD+         4.50    (#   1175:23  Unique         2.67, 3.66 A)
 &rst
  ixpk= 1175, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 608, 609, 610,
 igr2= 762, 763,
 &end
#
#   13 GLU  HN           13 GLU  HB+         4.50    (#   1179:23  Unique         2.06, 2.62 A)
 &rst
  ixpk= 1179, nxpk= 23, iat= 197,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 201, 202,
 &end
#
#   13 GLU  HN           13 GLU  HB+         4.50    (#   1180:23  Unique         2.06, 2.62 A)
 &rst
  ixpk= 1180, nxpk= 23, iat= 197,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 201, 202,
 &end
#
#    0 AMB  23-2:1181     0 AMB  23-1:1181   3.50    (#   1181:23  Double Ambig)
 &rst
  ixpk= 1181, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 534, 126,
 igr2= 538, 539, 201, 202,
 &end
#
#    0 AMB  23-2:1183     0 AMB  23-1:1183   3.50    (#   1183:23  Double Ambig)
 &rst
  ixpk= 1183, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 240, 549,
 igr2= 244, 245, 538, 539,
 &end
#
#   53 LYS  HN           53 LYS  HD+         4.50    (#   1184:23  Unique         2.27, 3.96 A)
 &rst
  ixpk= 1184, nxpk= 23, iat= 823,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 833, 834,
 &end
#
#   54 GLN  HA           54 GLN  HB-         4.50    (#   1186:23  Unique         2.38, 2.79 A)
 &rst
  ixpk= 1186, nxpk= 23, iat= 847,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 849, 850,
 &end
#
#    0 AMB  23-2:1187     0 AMB  23-1:1187   2.80    (#   1187:23  Double Ambig)
 &rst
  ixpk= 1187, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
 igr1= 199, 242, 128, 480, 595, 596,
 igr2= 201, 202, 244, 245, 201, 202, 244, 245, 538, 539,
       538, 539,
 &end
#
#    0 AMB  23-2:1188     0 AMB  23-1:1188   4.50    (#   1188:23  Double Ambig)
 &rst
  ixpk= 1188, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 463, 214,
 igr2= 538, 539, 244, 245,
 &end
#
#   54 GLN  HG+          54 GLN  HB-         3.50    (#   1190:23  Unique         2.21, 2.66 A)
 &rst
  ixpk= 1190, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 852, 853,
 igr2= 849, 850,
 &end
#
#   37 GLU  HN           37 GLU  HB+         4.50    (#   1191:23  Unique         2.21, 2.54 A)
 &rst
  ixpk= 1191, nxpk= 23, iat= 576,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 580, 581,
 &end
#
#   93 ARG  HN           93 ARG  HG+         4.50    (#   1192:23  Unique         2.62, 3.84 A)
 &rst
  ixpk= 1192, nxpk= 23, iat=1393,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1400,1401,
 &end
#
#   93 ARG  HN           93 ARG  HG-         4.50    (#   1193:23  Unique         2.62, 3.84 A)
 &rst
  ixpk= 1193, nxpk= 23, iat=1393,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1400,1401,
 &end
#
#   64 LEU  HA           63 LYS  HD+         4.50    (#   1195:23  Unique         3.09, 4.73 A)
 &rst
  ixpk= 1195, nxpk= 23, iat= 961,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 947, 948,
 &end
#
#   37 GLU  HA           37 GLU  HB+         3.50    (#   1196:23  Unique         2.38, 2.73 A)
 &rst
  ixpk= 1196, nxpk= 23, iat= 578,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 580, 581,
 &end
#
#    0 AMB  23-2:1197     0 AMB  23-1:1197   5.50    (#   1197:23  Double Ambig)
 &rst
  ixpk= 1197, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 776, 816, 817,
 igr2= 833, 834, 833, 834,
 &end
#
#   93 ARG  HA           93 ARG  HG-         4.50    (#   1198:23  Unique         2.34, 2.53 A)
 &rst
  ixpk= 1198, nxpk= 23, iat=1395,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1400,1401,
 &end
#
#   93 ARG  HD+          93 ARG  HG+         4.50    (#   1199:23  Unique         2.23, 2.71 A)
 &rst
  ixpk= 1199, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1403,1404,
 igr2=1400,1401,
 &end
#
#   93 ARG  HD+          93 ARG  HG-         4.50    (#   1200:23  Unique         2.23, 2.71 A)
 &rst
  ixpk= 1200, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1403,1404,
 igr2=1400,1401,
 &end
#
#   53 LYS  HE+          53 LYS  HD+         4.50    (#   1201:23  Unique         2.22, 2.69 A)
 &rst
  ixpk= 1201, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 836, 837,
 igr2= 833, 834,
 &end
#
#   63 LYS  HE+          63 LYS  HD+         4.50    (#   1202:23  Unique         2.22, 2.67 A)
 &rst
  ixpk= 1202, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 950, 951,
 igr2= 947, 948,
 &end
#
#   53 LYS  HG+          53 LYS  HD+         3.50    (#   1203:23  Unique         2.22, 2.65 A)
 &rst
  ixpk= 1203, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 830, 831,
 igr2= 833, 834,
 &end
#
#   33 LEU  MDX          93 ARG  HG-         4.50    (#   1204:23  Unique         2.00, 3.81 A)
 &rst
  ixpk= 1204, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 524, 525, 526, 528, 529, 530,
 igr2=1400,1401,
 &end
#
#   32 PHE  HN           31 GLN  HB+         5.50    (#   1206:23  Unique         2.38, 3.07 A)
 &rst
  ixpk= 1206, nxpk= 23, iat= 495,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 482, 483,
 &end
#
#   28 THR  HN           31 GLN  HB+         4.50    (#   1207:23  Unique         1.94, 2.65 A)
 &rst
  ixpk= 1207, nxpk= 23, iat= 432,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 482, 483,
 &end
#
#   31 GLN  HN           31 GLN  HB+         4.50    (#   1210:23  Unique         2.46, 3.09 A)
 &rst
  ixpk= 1210, nxpk= 23, iat= 478,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 482, 483,
 &end
#
#   27 SER  HA           31 GLN  HB+         5.60    (#   1212:23  Unique         3.80, 4.17 A)
 &rst
  ixpk= 1212, nxpk= 23, iat= 423,  -1, r1= 0.00, r2= 1.80, r3= 6.29, r4= 7.04,
 igr2= 482, 483,
 &end
#
#   31 GLN  HA           31 GLN  HB+         4.50    (#   1213:23  Unique         2.39, 2.73 A)
 &rst
  ixpk= 1213, nxpk= 23, iat= 480,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 482, 483,
 &end
#
#   84 ASP  HB+          87 GLN  HB+         4.50    (#   1216:23  Unique         2.00, 4.35 A)
 &rst
  ixpk= 1216, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1245,1246,
 igr2=1285,1286,
 &end
#
#    0 AMB  23-2:1220     0 AMB  23-1:1220   4.50    (#   1220:23  Double Ambig)
 &rst
  ixpk= 1220, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.42, r4=10.17,
 igr1= 218, 219, 220, 222, 223, 224, 218, 219, 220, 222,
       223, 224,1308,1309,
 igr2=1285,1286,1285,1286,1285,1286,
 &end
#
#   50 LEU  MDY          31 GLN  HB+         5.50    (#   1221:23  Unique         3.38, 5.45 A)
 &rst
  ixpk= 1221, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 783, 784, 785, 787, 788, 789,
 igr2= 482, 483,
 &end
#
#    0 AMB  23-2:1222     0 AMB  23-1:1222   4.50    (#   1222:23  Double Ambig)
 &rst
  ixpk= 1222, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.82, r4=10.57,
 igr1= 524, 525, 526, 528, 529, 530,1326,1327,1328,1330,
      1331,1332, 783, 784, 785, 787, 788, 789,
 igr2=1400,1401,1400,1401, 482, 483,
 &end
#
#   44 ARG  HN           44 ARG  HG+         5.50    (#   1224:23  Unique         1.93, 2.69 A)
 &rst
  ixpk= 1224, nxpk= 23, iat= 670,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 677, 678,
 &end
#
#   86 GLN  HN           86 GLN  HB+         3.50    (#   1225:23  Unique         2.34, 3.09 A)
 &rst
  ixpk= 1225, nxpk= 23, iat=1264,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1268,1269,
 &end
#
#   27 SER  HB-          31 GLN  HB+         5.50    (#   1229:23  Unique         2.00, 3.36 A)
 &rst
  ixpk= 1229, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 425, 426,
 igr2= 482, 483,
 &end
#
#   86 GLN  HG+          86 GLN  HB+         3.50    (#   1230:23  Unique         2.21, 2.68 A)
 &rst
  ixpk= 1230, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1271,1272,
 igr2=1268,1269,
 &end
#
#    0 AMB  23-2:1231     0 AMB  23-1:1231   4.50    (#   1231:23  Double Ambig)
 &rst
  ixpk= 1231, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 672, 656,
 igr2= 677, 678, 677, 678,
 &end
#
#   96 VAL  MGX          30 GLN  HB-         5.50    (#   1235:23  Unique         4.16, 6.77 A)
 &rst
  ixpk= 1235, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1462,1463,1464,1466,1467,1468,
 igr2= 465, 466,
 &end
#
#   31 GLN  HN           30 GLN  HB-         5.50    (#   1241:23  Unique         2.37, 3.10 A)
 &rst
  ixpk= 1241, nxpk= 23, iat= 478,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 465, 466,
 &end
#
#   45 ILE  HN           44 ARG  HG+         4.50    (#   1243:23  Unique         2.00, 2.23 A)
 &rst
  ixpk= 1243, nxpk= 23, iat= 694,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 677, 678,
 &end
#
#   45 ILE  HN           45 ILE  HG1-        4.50    (#   1244:23  Unique         1.94, 2.58 A)
 &rst
  ixpk= 1244, nxpk= 23, iat= 694,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 704, 705,
 &end
#
#   45 ILE  HA           45 ILE  HG1-        4.50    (#   1250:23  Unique         2.57, 2.86 A)
 &rst
  ixpk= 1250, nxpk= 23, iat= 696,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 704, 705,
 &end
#
#   95 ARG  HD-          95 ARG  HG+         4.50    (#   1256:23  Unique         2.22, 2.71 A)
 &rst
  ixpk= 1256, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1442,1443,
 igr2=1439,1440,
 &end
#
#    0 AMB  23-2:1257    30 GLN  HB-         4.50    (#   1257:23  Single Ambig)
 &rst
  ixpk= 1257, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 468, 469, 485, 486,
 igr2= 465, 466,
 &end
#
#    0 AMB  23-2:1258    30 GLN  HB-         4.50    (#   1258:23  Single Ambig)
 &rst
  ixpk= 1258, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 468, 469, 541, 542,
 igr2= 465, 466,
 &end
#
#    0 AMB  23-2:1261    45 ILE  HG1-        4.50    (#   1261:23  Single Ambig)
 &rst
  ixpk= 1261, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 634, 635, 698,
 igr2= 704, 705,
 &end
#
#   44 ARG  HB+          44 ARG  HG+         3.50    (#   1264:23  Unique         2.27, 2.72 A)
 &rst
  ixpk= 1264, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 674, 675,
 igr2= 677, 678,
 &end
#
#   44 ARG  HG+          45 ILE  HG1-        3.50    (#   1267:23  Unique         2.10, 3.04 A)
 &rst
  ixpk= 1267, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 677, 678,
 igr2= 704, 705,
 &end
#
#   45 ILE  MG2          45 ILE  HG1-        4.50    (#   1271:23  Unique         2.41, 3.49 A)
 &rst
  ixpk= 1271, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 700, 701, 702,
 igr2= 704, 705,
 &end
#
#   45 ILE  MD1          45 ILE  HG1-        4.50    (#   1273:23  Unique         2.21, 2.62 A)
 &rst
  ixpk= 1273, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 707, 708, 709,
 igr2= 704, 705,
 &end
#
#   95 ARG  HD-          95 ARG  HG+         4.50    (#   1280:23  Unique         2.22, 2.71 A)
 &rst
  ixpk= 1280, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1442,1443,
 igr2=1439,1440,
 &end
#
#    0 AMB  23-2:1283     0 AMB  23-1:1283   3.50    (#   1283:23  Double Ambig)
 &rst
  ixpk= 1283, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 959,  42,
 igr2= 966,  68,
 &end
#
#   89 LEU  HN           89 LEU  HG          5.50    (#   1284:23  Unique         3.81, 4.28 A)
 &rst
  ixpk= 1284, nxpk= 23, iat=1317,1324, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  23-2:1286     0 AMB  23-1:1286   4.50    (#   1286:23  Double Ambig)
 &rst
  ixpk= 1286, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1030, 961, 939,
 igr2=1035,1036, 966,
 &end
#
#    0 AMB  23-2:1288     0 AMB  23-1:1288   4.50    (#   1288:23  Double Ambig)
 &rst
  ixpk= 1288, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  63, 175,
 igr2=  68, 180, 181,
 &end
#
#   89 LEU  HA           89 LEU  HG          5.50    (#   1289:23  Unique         2.35, 2.93 A)
 &rst
  ixpk= 1289, nxpk= 23, iat=1319,1324, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  23-2:1291     0 AMB  23-1:1291   4.50    (#   1291:23  Double Ambig)
 &rst
  ixpk= 1291, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 183, 184,1038,1039,
 igr2= 180, 181,1035,1036,
 &end
#
#    0 AMB  23-2:1294    89 LEU  HG          4.50    (#   1294:23  Single Ambig)
 &rst
  ixpk= 1294, nxpk= 23, iat=  -1,1324, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1=1321,1322,1397,1398,1302,
 &end
#
#   89 LEU  MDX          89 LEU  HG          4.50    (#   1295:23  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1295, nxpk= 23, iat=  -1,1324, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1326,1327,1328,1330,1331,1332,
 &end
#
#   89 LEU  MDY          89 LEU  HG          4.50    (#   1296:23  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1296, nxpk= 23, iat=  -1,1324, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1326,1327,1328,1330,1331,1332,
 &end
#
#   74 LEU  HN           74 LEU  HG          4.50    (#   1297:23  Unique         2.01, 4.00 A)
 &rst
  ixpk= 1297, nxpk= 23, iat=1086,1093, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   74 LEU  HA           74 LEU  HG          4.50    (#   1302:23  Unique         2.15, 2.90 A)
 &rst
  ixpk= 1302, nxpk= 23, iat=1088,1093, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   25 THR  MG2          51 LEU  HG          5.50    (#   1311:23  Unique         2.77, 3.02 A)
 &rst
  ixpk= 1311, nxpk= 23, iat=  -1, 800, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 399, 400, 401,
 &end
#
#   74 LEU  MDX          74 LEU  HG          3.50    (#   1312:23  Unique         2.21, 2.63 A)
 &rst
  ixpk= 1312, nxpk= 23, iat=  -1,1093, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#   51 LEU  MDY          51 LEU  HG          4.50    (#   1313:23  Unique         2.21, 2.63 A)
 &rst
  ixpk= 1313, nxpk= 23, iat=  -1, 800, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 802, 803, 804, 806, 807, 808,
 &end
#
#   92 LEU  MDY           0 AMB  23-1:1314   4.50    (#   1314:23  Single Ambig)
 &rst
  ixpk= 1314, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1383,1384,1385,1387,1388,1389,
 igr2=1381, 522,
 &end
#
#    0 AMB  23-2:1315     0 AMB  23-1:1315   4.50    (#   1315:23  Double Ambig)
 &rst
  ixpk= 1315, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 515,1374,
 igr2= 522,1381,
 &end
#
#   51 LEU  HN           51 LEU  HG          3.50    (#   1316:23  Unique         2.64, 2.65 A)
 &rst
  ixpk= 1316, nxpk= 23, iat= 793, 800, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  23-2:1317    92 LEU  HG          4.50    (#   1317:23  Single Ambig)
 &rst
  ixpk= 1317, nxpk= 23, iat=  -1,1381, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1393, 549,
 &end
#
#   19 ASP  HA           22 LEU  MDX         5.50    (#   1318:23  Unique         3.24, 5.11 A)
 &rst
  ixpk= 1318, nxpk= 23, iat= 286,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#    0 AMB  23-2:1319     0 AMB  23-1:1319   4.50    (#   1319:23  Double Ambig)
 &rst
  ixpk= 1319, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1395,1376, 463,
 igr2= 522,1381,
 &end
#
#    0 AMB  23-2:1320     0 AMB  23-1:1320   3.50    (#   1320:23  Double Ambig)
 &rst
  ixpk= 1320, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1460, 336,
 igr2= 524, 525, 526, 528, 529, 530, 338, 339, 340, 342,
       343, 344,
 &end
#
#    0 AMB  23-2:1321    22 LEU  MDX         4.50    (#   1321:23  Single Ambig)
 &rst
  ixpk= 1321, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 352, 353, 352, 353,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   92 LEU  HB+          92 LEU  HG          4.50    (#   1322:23  Unique         2.41, 2.72 A)
 &rst
  ixpk= 1322, nxpk= 23, iat=  -1,1381, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1378,1379,
 &end
#
#   33 LEU  HB-          33 LEU  MDX         4.50    (#   1323:23  Unique         2.27, 3.31 A)
 &rst
  ixpk= 1323, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 519, 520,
 igr2= 524, 525, 526, 528, 529, 530,
 &end
#
#   51 LEU  MDX          51 LEU  HG          4.50    (#   1324:23  Unique         2.21, 2.63 A)
 &rst
  ixpk= 1324, nxpk= 23, iat=  -1, 800, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 802, 803, 804, 806, 807, 808,
 &end
#
#   92 LEU  MDX          92 LEU  HG          4.50    (#   1325:23  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1325, nxpk= 23, iat=  -1,1381, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1383,1384,1385,1387,1388,1389,
 &end
#
#   22 LEU  MDY          22 LEU  MDX         4.50    (#   1326:23  Unique         0.00, 2.27 A)
#This appears to be self-referential: ignoring
#
#   91 ARG  HA           91 ARG  HG+         5.60    (#   1329:23  Unique         2.20, 3.24 A)
 &rst
  ixpk= 1329, nxpk= 23, iat=1352,  -1, r1= 0.00, r2= 1.80, r3= 6.29, r4= 7.04,
 igr2=1357,1358,
 &end
#
#   91 ARG  HA           91 ARG  HG-         5.50    (#   1330:23  Unique         2.20, 3.24 A)
 &rst
  ixpk= 1330, nxpk= 23, iat=1352,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1357,1358,
 &end
#
#   91 ARG  HD+          91 ARG  HG-         4.50    (#   1331:23  Unique         2.22, 2.69 A)
 &rst
  ixpk= 1331, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1360,1361,
 igr2=1357,1358,
 &end
#
#   91 ARG  HD+          91 ARG  HG+         4.50    (#   1332:23  Unique         2.22, 2.69 A)
 &rst
  ixpk= 1332, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1360,1361,
 igr2=1357,1358,
 &end
#
#   91 ARG  HD-          91 ARG  HG+         4.50    (#   1334:23  Unique         2.22, 2.69 A)
 &rst
  ixpk= 1334, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1360,1361,
 igr2=1357,1358,
 &end
#
#   91 ARG  HG-          91 ARG  HG+         4.50    (#   1337:23  Unique         0.00, 0.88 A)
#This appears to be self-referential: ignoring
#
#    0 AMB  23-2:1338     0 AMB  23-1:1338   4.50    (#   1338:23  Double Ambig)
 &rst
  ixpk= 1338, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.53, r4=10.28,
 igr1= 218, 219, 220, 222, 223, 224, 218, 219, 220, 222,
       223, 224, 278, 279, 280,
 igr2=1357,1358,1357,1358,1357,1358,
 &end
#
#    0 AMB  23-2:1339    91 ARG  HG-         4.50    (#   1339:23  Single Ambig)
 &rst
  ixpk= 1339, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 218, 219, 220, 222, 223, 224, 218, 219, 220, 222,
       223, 224, 278, 279, 280,
 igr2=1357,1358,
 &end
#
#   89 LEU  HN           89 LEU  MDX         4.50    (#   1341:23  Unique         3.83, 5.12 A)
 &rst
  ixpk= 1341, nxpk= 23, iat=1317,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1326,1327,1328,1330,1331,1332,
 &end
#
#   50 LEU  HN           50 LEU  HG          4.50    (#   1342:23  Unique         3.18, 3.26 A)
 &rst
  ixpk= 1342, nxpk= 23, iat= 774, 781, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   50 LEU  HA           50 LEU  HG          5.50    (#   1343:23  Unique         2.28, 2.32 A)
 &rst
  ixpk= 1343, nxpk= 23, iat= 776, 781, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  23-2:1344     0 AMB  23-1:1344   4.50    (#   1344:23  Double Ambig)
 &rst
  ixpk= 1344, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 618, 619, 395, 744, 561,
 igr2=1326,1327,1328,1330,1331,1332, 802, 803, 804, 806,
       807, 808,
 &end
#
#    0 AMB  23-2:1346    50 LEU  HG          4.50    (#   1346:23  Single Ambig)
 &rst
  ixpk= 1346, nxpk= 23, iat=  -1, 781, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 778, 779, 756, 757,
 &end
#
#    0 AMB  23-2:1347     0 AMB  23-1:1347   3.50    (#   1347:23  Double Ambig)
 &rst
  ixpk= 1347, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.32, r4= 8.07,
 igr1=1321,1322,1400,1401, 797, 798, 727,
 igr2=1326,1327,1328,1330,1331,1332, 802, 803, 804, 806,
       807, 808,
 &end
#
#   51 LEU  HG           51 LEU  MDX         4.50    (#   1348:23  Unique         2.21, 2.63 A)
 &rst
  ixpk= 1348, nxpk= 23, iat= 800,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 802, 803, 804, 806, 807, 808,
 &end
#
#   50 LEU  HB-          50 LEU  HG          5.50    (#   1349:23  Unique         2.70, 2.84 A)
 &rst
  ixpk= 1349, nxpk= 23, iat=  -1, 781, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 778, 779,
 &end
#
#    0 AMB  23-2:1350    89 LEU  MDX         3.50    (#   1350:23  Single Ambig)
 &rst
  ixpk= 1350, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1321,1322,1324,
 igr2=1326,1327,1328,1330,1331,1332,
 &end
#
#   50 LEU  MDY          50 LEU  HG          4.50    (#   1352:23  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1352, nxpk= 23, iat=  -1, 781, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 783, 784, 785, 787, 788, 789,
 &end
#
#   50 LEU  MDX          50 LEU  HG          4.50    (#   1353:23  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1353, nxpk= 23, iat=  -1, 781, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 783, 784, 785, 787, 788, 789,
 &end
#
#   22 LEU  MDX          22 LEU  HG          4.50    (#   1354:23  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1354, nxpk= 23, iat=  -1, 336, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#    0 AMB  23-2:1355    22 LEU  HG          4.50    (#   1355:23  Single Ambig)
 &rst
  ixpk= 1355, nxpk= 23, iat=  -1, 336, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 329, 284,
 &end
#
#   50 LEU  HN           50 LEU  MDX         5.50    (#   1356:23  Unique         3.22, 4.61 A)
 &rst
  ixpk= 1356, nxpk= 23, iat= 774,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 783, 784, 785, 787, 788, 789,
 &end
#
#   32 PHE  HD           22 LEU  HG          5.60    (#   1357:23  Unique         5.17, 6.34 A)
 &rst
  ixpk= 1357, nxpk= 23, iat=  -1, 336, r1= 0.00, r2= 1.80, r3= 6.29, r4= 7.04,
 igr1= 503, 511,
 &end
#
#   19 ASP  HA           22 LEU  HG          5.50    (#   1358:23  Unique         3.99, 4.07 A)
 &rst
  ixpk= 1358, nxpk= 23, iat= 286, 336, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  23-2:1359    50 LEU  MDX         4.50    (#   1359:23  Single Ambig)
 &rst
  ixpk= 1359, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 776, 480,
 igr2= 783, 784, 785, 787, 788, 789,
 &end
#
#   22 LEU  HA           22 LEU  HG          5.50    (#   1360:23  Unique         3.51, 3.52 A)
 &rst
  ixpk= 1360, nxpk= 23, iat= 331, 336, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  23-2:1361    22 LEU  HG          4.50    (#   1361:23  Single Ambig)
 &rst
  ixpk= 1361, nxpk= 23, iat=  -1, 336, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 352, 353, 352, 353,
 &end
#
#   22 LEU  HB-          22 LEU  HG          4.50    (#   1362:23  Unique         2.38, 2.70 A)
 &rst
  ixpk= 1362, nxpk= 23, iat=  -1, 336, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 333, 334,
 &end
#
#   22 LEU  MDY          22 LEU  HG          4.50    (#   1363:23  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1363, nxpk= 23, iat=  -1, 336, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#   49 LYS  HN           49 LYS  HG+         5.50    (#   1364:23  Unique         3.79, 4.21 A)
 &rst
  ixpk= 1364, nxpk= 23, iat= 752,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 759, 760,
 &end
#
#    0 AMB  23-2:1365    49 LYS  HG-         4.50    (#   1365:23  Single Ambig)
 &rst
  ixpk= 1365, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 752, 774,
 igr2= 759, 760,
 &end
#
#   32 PHE  HD           50 LEU  MDX         4.50    (#   1366:23  Unique         3.38, 6.94 A)
 &rst
  ixpk= 1366, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 503, 511,
 igr2= 783, 784, 785, 787, 788, 789,
 &end
#
#   49 LYS  HA           49 LYS  HG-         3.50    (#   1370:23  Unique         2.03, 2.66 A)
 &rst
  ixpk= 1370, nxpk= 23, iat= 754,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 759, 760,
 &end
#
#    0 AMB  23-2:1371     0 AMB  23-1:1371   4.50    (#   1371:23  Double Ambig)
 &rst
  ixpk= 1371, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 715, 696,
 igr2= 759, 760, 759, 760,
 &end
#
#    0 AMB  23-2:1372    49 LYS  HG-         5.60    (#   1372:23  Single Ambig)
 &rst
  ixpk= 1372, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.06, r4= 7.81,
 igr1= 715, 696,
 igr2= 759, 760,
 &end
#
#   27 SER  HB-          50 LEU  MDX         4.50    (#   1374:23  Unique         2.95, 4.89 A)
 &rst
  ixpk= 1374, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 425, 426,
 igr2= 783, 784, 785, 787, 788, 789,
 &end
#
#   47 ILE  HA           50 LEU  MDX         4.50    (#   1375:23  Unique         2.98, 5.01 A)
 &rst
  ixpk= 1375, nxpk= 23, iat= 725,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 783, 784, 785, 787, 788, 789,
 &end
#
#   50 LEU  HB+          50 LEU  MDX         4.50    (#   1378:23  Unique         2.00, 3.21 A)
 &rst
  ixpk= 1378, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 778, 779,
 igr2= 783, 784, 785, 787, 788, 789,
 &end
#
#   35 ALA  MB           50 LEU  MDX         5.50    (#   1380:23  Unique         2.00, 4.90 A)
 &rst
  ixpk= 1380, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 553, 554, 555,
 igr2= 783, 784, 785, 787, 788, 789,
 &end
#
#   25 THR  MG2          50 LEU  MDX         4.50    (#   1381:23  Unique         3.00, 4.86 A)
 &rst
  ixpk= 1381, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 399, 400, 401,
 igr2= 783, 784, 785, 787, 788, 789,
 &end
#
#   21 ILE  MG2          50 LEU  MDX         5.50    (#   1382:23  Unique         4.49, 6.86 A)
 &rst
  ixpk= 1382, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 316, 317, 318,
 igr2= 783, 784, 785, 787, 788, 789,
 &end
#
#   74 LEU  HN           74 LEU  MDX         5.50    (#   1383:23  Unique         2.19, 4.72 A)
 &rst
  ixpk= 1383, nxpk= 23, iat=1086,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   74 LEU  HA           74 LEU  MDX         4.50    (#   1385:23  Unique         2.00, 3.68 A)
 &rst
  ixpk= 1385, nxpk= 23, iat=1088,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#   49 LYS  HE+          49 LYS  HG-         4.50    (#   1386:23  Unique         2.34, 3.44 A)
 &rst
  ixpk= 1386, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 765, 766,
 igr2= 759, 760,
 &end
#
#   49 LYS  HB+          49 LYS  HG-         4.50    (#   1387:23  Unique         2.21, 2.67 A)
 &rst
  ixpk= 1387, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 756, 757,
 igr2= 759, 760,
 &end
#
#   49 LYS  HD+          49 LYS  HG-         2.80    (#   1388:23  Unique         2.22, 2.69 A)
 &rst
  ixpk= 1388, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 762, 763,
 igr2= 759, 760,
 &end
#
#   74 LEU  HB-          74 LEU  MDX         4.50    (#   1389:23  Unique         2.02, 3.33 A)
 &rst
  ixpk= 1389, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1090,1091,
 igr2=1095,1096,1097,1099,1100,1101,
 &end
#
#    0 AMB  23-2:1392     0 AMB  23-1:1392   3.50    (#   1392:23  Double Ambig)
 &rst
  ixpk= 1392, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1054, 961,1030,
 igr2=1059,1060, 944, 945,1059,1060,
 &end
#
#    0 AMB  23-2:1394     0 AMB  23-1:1394   4.50    (#   1394:23  Double Ambig)
 &rst
  ixpk= 1394, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 950, 951,1065,1066,
 igr2= 944, 945,1059,1060,
 &end
#
#    0 AMB  23-2:1396     0 AMB  23-1:1396   2.80    (#   1396:23  Double Ambig)
 &rst
  ixpk= 1396, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 947, 948, 963, 964,
 igr2= 944, 945, 944, 945,
 &end
#
#    0 AMB  23-2:1398    92 LEU  MDY         5.50    (#   1398:23  Single Ambig)
 &rst
  ixpk= 1398, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 515,1374,
 igr2=1383,1384,1385,1387,1388,1389,
 &end
#
#   53 LYS  HN           53 LYS  HG+         4.50    (#   1399:23  Unique         1.94, 2.84 A)
 &rst
  ixpk= 1399, nxpk= 23, iat= 823,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 830, 831,
 &end
#
#   32 PHE  HD           92 LEU  MDY         4.50    (#   1400:23  Unique         1.98, 4.58 A)
 &rst
  ixpk= 1400, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 503, 511,
 igr2=1383,1384,1385,1387,1388,1389,
 &end
#
#   32 PHE  HE           92 LEU  MDY         4.50    (#   1401:23  Unique         3.02, 5.74 A)
 &rst
  ixpk= 1401, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 505, 509,
 igr2=1383,1384,1385,1387,1388,1389,
 &end
#
#   53 LYS  HA           53 LYS  HG+         3.50    (#   1403:23  Unique         2.56, 3.58 A)
 &rst
  ixpk= 1403, nxpk= 23, iat= 825,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 830, 831,
 &end
#
#    0 AMB  23-2:1404     0 AMB  23-1:1404   3.50    (#   1404:23  Double Ambig)
 &rst
  ixpk= 1404, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 776, 816, 817, 754,
 igr2= 830, 831, 830, 831, 830, 831,
 &end
#
#   92 LEU  HA           92 LEU  MDY         4.50    (#   1405:23  Unique         2.16, 3.88 A)
 &rst
  ixpk= 1405, nxpk= 23, iat=1376,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1383,1384,1385,1387,1388,1389,
 &end
#
#   33 LEU  HA           92 LEU  MDY         4.50    (#   1406:23  Unique         2.10, 3.41 A)
 &rst
  ixpk= 1406, nxpk= 23, iat= 517,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1383,1384,1385,1387,1388,1389,
 &end
#
#   53 LYS  HE+          53 LYS  HG+         4.50    (#   1407:23  Unique         2.00, 3.19 A)
 &rst
  ixpk= 1407, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 836, 837,
 igr2= 830, 831,
 &end
#
#   36 MET  HB+          92 LEU  MDY         5.50    (#   1408:23  Unique         1.99, 4.75 A)
 &rst
  ixpk= 1408, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 563, 564,
 igr2=1383,1384,1385,1387,1388,1389,
 &end
#
#    0 AMB  23-2:1409    92 LEU  MDY         4.50    (#   1409:23  Single Ambig)
 &rst
  ixpk= 1409, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 566, 567,1460,
 igr2=1383,1384,1385,1387,1388,1389,
 &end
#
#   53 LYS  HB-          53 LYS  HG+         4.50    (#   1410:23  Unique         2.21, 2.66 A)
 &rst
  ixpk= 1410, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 827, 828,
 igr2= 830, 831,
 &end
#
#   92 LEU  HB+          92 LEU  MDY         4.50    (#   1411:23  Unique         2.26, 3.29 A)
 &rst
  ixpk= 1411, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1378,1379,
 igr2=1383,1384,1385,1387,1388,1389,
 &end
#
#   53 LYS  HD+          53 LYS  HG+         3.50    (#   1412:23  Unique         2.22, 2.65 A)
 &rst
  ixpk= 1412, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 833, 834,
 igr2= 830, 831,
 &end
#
#    0 AMB  23-2:1413    92 LEU  MDY         4.50    (#   1413:23  Single Ambig)
 &rst
  ixpk= 1413, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 563, 564, 566, 567,1381,
 igr2=1383,1384,1385,1387,1388,1389,
 &end
#
#   33 LEU  HB-          92 LEU  MDY         5.60    (#   1414:23  Unique         3.37, 5.35 A)
 &rst
  ixpk= 1414, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.47, r4= 9.22,
 igr1= 519, 520,
 igr2=1383,1384,1385,1387,1388,1389,
 &end
#
#   33 LEU  MDY          92 LEU  MDY         5.60    (#   1415:23  Unique         3.30, 6.31 A)
 &rst
  ixpk= 1415, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.18, r4=10.93,
 igr1= 524, 525, 526, 528, 529, 530,
 igr2=1383,1384,1385,1387,1388,1389,
 &end
#
#   88 ILE  MG2          92 LEU  MDY         4.50    (#   1417:23  Unique         3.32, 5.89 A)
 &rst
  ixpk= 1417, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1304,1305,1306,
 igr2=1383,1384,1385,1387,1388,1389,
 &end
#
#   92 LEU  MDX          92 LEU  MDY         4.50    (#   1418:23  Unique         0.00, 2.27 A)
#This appears to be self-referential: ignoring
#
#   32 PHE  HB+          92 LEU  MDY         5.50    (#   1419:23  Unique         2.22, 4.33 A)
 &rst
  ixpk= 1419, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 499, 500,
 igr2=1383,1384,1385,1387,1388,1389,
 &end
#
#    0 AMB  23-2:1421    92 LEU  MDX         4.50    (#   1421:23  Single Ambig)
 &rst
  ixpk= 1421, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 515,1374,
 igr2=1383,1384,1385,1387,1388,1389,
 &end
#
#   32 PHE  HD           92 LEU  MDX         4.50    (#   1422:23  Unique         1.98, 4.58 A)
 &rst
  ixpk= 1422, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 503, 511,
 igr2=1383,1384,1385,1387,1388,1389,
 &end
#
#   32 PHE  HE           92 LEU  MDX         3.50    (#   1423:23  Unique         3.02, 5.74 A)
 &rst
  ixpk= 1423, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 505, 509,
 igr2=1383,1384,1385,1387,1388,1389,
 &end
#
#   92 LEU  HA           92 LEU  MDX         3.50    (#   1424:23  Unique         2.16, 3.88 A)
 &rst
  ixpk= 1424, nxpk= 23, iat=1376,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1383,1384,1385,1387,1388,1389,
 &end
#
#   33 LEU  HA           92 LEU  MDX         4.50    (#   1425:23  Unique         2.10, 3.41 A)
 &rst
  ixpk= 1425, nxpk= 23, iat= 517,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1383,1384,1385,1387,1388,1389,
 &end
#
#   32 PHE  HB+          92 LEU  MDX         4.50    (#   1426:23  Unique         2.22, 4.33 A)
 &rst
  ixpk= 1426, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 499, 500,
 igr2=1383,1384,1385,1387,1388,1389,
 &end
#
#    0 AMB  23-2:1428    92 LEU  MDX         4.50    (#   1428:23  Single Ambig)
 &rst
  ixpk= 1428, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 566, 567,1460,
 igr2=1383,1384,1385,1387,1388,1389,
 &end
#
#   92 LEU  HB+          92 LEU  MDX         4.50    (#   1429:23  Unique         2.26, 3.29 A)
 &rst
  ixpk= 1429, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1378,1379,
 igr2=1383,1384,1385,1387,1388,1389,
 &end
#
#    0 AMB  23-2:1430    92 LEU  MDX         4.50    (#   1430:23  Single Ambig)
 &rst
  ixpk= 1430, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 563, 564, 566, 567,1381,
 igr2=1383,1384,1385,1387,1388,1389,
 &end
#
#   33 LEU  HB-          92 LEU  MDX         5.50    (#   1431:23  Unique         3.37, 5.35 A)
 &rst
  ixpk= 1431, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 519, 520,
 igr2=1383,1384,1385,1387,1388,1389,
 &end
#
#    0 AMB  23-2:1432    92 LEU  MDX         4.50    (#   1432:23  Single Ambig)
 &rst
  ixpk= 1432, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.18, r4= 9.93,
 igr1=1462,1463,1464,1466,1467,1468, 271, 272, 273, 278,
       279, 280,
 igr2=1383,1384,1385,1387,1388,1389,
 &end
#
#   92 LEU  MDY          92 LEU  MDX         4.50    (#   1433:23  Unique         0.00, 2.27 A)
#This appears to be self-referential: ignoring
#
#    0 AMB  23-2:1435     0 AMB  23-1:1435   4.50    (#   1435:23  Double Ambig)
 &rst
  ixpk= 1435, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1088,1180,
 igr2=1095,1096,1097,1099,1100,1101,1187,1188,1189,1191,
      1192,1193,
 &end
#
#   33 LEU  HA           33 LEU  MDY         4.50    (#   1436:23  Unique         2.26, 3.86 A)
 &rst
  ixpk= 1436, nxpk= 23, iat= 517,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 524, 525, 526, 528, 529, 530,
 &end
#
#   34 GLU  HG-          33 LEU  MDY         4.50    (#   1437:23  Unique         4.70, 6.12 A)
 &rst
  ixpk= 1437, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 541, 542,
 igr2= 524, 525, 526, 528, 529, 530,
 &end
#
#    0 AMB  23-2:1439    33 LEU  MDY         3.50    (#   1439:23  Single Ambig)
 &rst
  ixpk= 1439, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1400,1401,1397,1398,
 igr2= 524, 525, 526, 528, 529, 530,
 &end
#
#    0 AMB  23-2:1440     0 AMB  23-1:1440   3.50    (#   1440:23  Double Ambig)
 &rst
  ixpk= 1440, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1400,1401,  65,  66, 522,
 igr2= 524, 525, 526, 528, 529, 530,  70,  71,  72,  74,
        75,  76,
 &end
#
#    0 AMB  23-2:1441     0 AMB  23-1:1441   3.50    (#   1441:23  Double Ambig)
 &rst
  ixpk= 1441, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1093,1185,
 igr2=1095,1096,1097,1099,1100,1101,1187,1188,1189,1191,
      1192,1193,
 &end
#
#    0 AMB  23-2:1442     0 AMB  23-1:1442   3.50    (#   1442:23  Double Ambig)
 &rst
  ixpk= 1442, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1090,1091,1321,1322,1324,
 igr2=1095,1096,1097,1099,1100,1101,1326,1327,1328,1330,
      1331,1332,
 &end
#
#   33 LEU  HB-          33 LEU  MDY         4.50    (#   1443:23  Unique         2.27, 3.31 A)
 &rst
  ixpk= 1443, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 519, 520,
 igr2= 524, 525, 526, 528, 529, 530,
 &end
#
#   89 LEU  HN           89 LEU  MDY         5.50    (#   1445:23  Unique         3.83, 5.12 A)
 &rst
  ixpk= 1445, nxpk= 23, iat=1317,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1326,1327,1328,1330,1331,1332,
 &end
#
#   89 LEU  HA           89 LEU  MDY         4.50    (#   1447:23  Unique         2.00, 3.68 A)
 &rst
  ixpk= 1447, nxpk= 23, iat=1319,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1326,1327,1328,1330,1331,1332,
 &end
#
#    0 AMB  23-2:1448    89 LEU  MDY         4.50    (#   1448:23  Single Ambig)
 &rst
  ixpk= 1448, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 563, 564, 583, 584,
 igr2=1326,1327,1328,1330,1331,1332,
 &end
#
#    0 AMB  23-2:1449    89 LEU  MDY         4.50    (#   1449:23  Single Ambig)
 &rst
  ixpk= 1449, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1400,1401,1378,1379,
 igr2=1326,1327,1328,1330,1331,1332,
 &end
#
#   51 LEU  HN           51 LEU  MDY         3.50    (#   1450:23  Unique         3.74, 4.56 A)
 &rst
  ixpk= 1450, nxpk= 23, iat= 793,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 802, 803, 804, 806, 807, 808,
 &end
#
#   51 LEU  HA           51 LEU  MDY         3.50    (#   1452:23  Unique         2.00, 3.70 A)
 &rst
  ixpk= 1452, nxpk= 23, iat= 795,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 802, 803, 804, 806, 807, 808,
 &end
#
#   43 VAL  HB           43 VAL  MGX         4.50    (#   1453:23  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1453, nxpk= 23, iat= 658,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 660, 661, 662, 664, 665, 666,
 &end
#
#   44 ARG  HB+          43 VAL  MGX         5.50    (#   1454:23  Unique         3.53, 5.93 A)
 &rst
  ixpk= 1454, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 674, 675,
 igr2= 660, 661, 662, 664, 665, 666,
 &end
#
#   21 ILE  HB           43 VAL  MGX         5.60    (#   1455:23  Unique         3.63, 5.55 A)
 &rst
  ixpk= 1455, nxpk= 23, iat= 314,  -1, r1= 0.00, r2= 1.80, r3= 7.55, r4= 8.30,
 igr2= 660, 661, 662, 664, 665, 666,
 &end
#
#   51 LEU  HG           51 LEU  MDY         4.50    (#   1456:23  Unique         2.21, 2.63 A)
 &rst
  ixpk= 1456, nxpk= 23, iat= 800,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 802, 803, 804, 806, 807, 808,
 &end
#
#   44 ARG  HG+          43 VAL  MGX         5.50    (#   1457:23  Unique         3.70, 6.34 A)
 &rst
  ixpk= 1457, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 677, 678,
 igr2= 660, 661, 662, 664, 665, 666,
 &end
#
#   51 LEU  HB-          51 LEU  MDY         3.50    (#   1458:23  Unique         2.32, 3.29 A)
 &rst
  ixpk= 1458, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 797, 798,
 igr2= 802, 803, 804, 806, 807, 808,
 &end
#
#   46 ALA  MB           43 VAL  MGX         4.50    (#   1459:23  Unique         3.15, 5.99 A)
 &rst
  ixpk= 1459, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 717, 718, 719,
 igr2= 660, 661, 662, 664, 665, 666,
 &end
#
#   25 THR  MG2          51 LEU  MDY         4.50    (#   1460:23  Unique         2.03, 4.26 A)
 &rst
  ixpk= 1460, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 399, 400, 401,
 igr2= 802, 803, 804, 806, 807, 808,
 &end
#
#   43 VAL  MGY          43 VAL  MGX         3.50    (#   1461:23  Unique         0.00, 2.27 A)
#This appears to be self-referential: ignoring
#
#    0 AMB  23-2:1462    43 VAL  MGX         4.50    (#   1462:23  Single Ambig)
 &rst
  ixpk= 1462, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 736, 737, 738, 320, 321,
 igr2= 660, 661, 662, 664, 665, 666,
 &end
#
#   29 GLU  HN           22 LEU  MDY         5.60    (#   1463:23  Unique         3.79, 5.14 A)
 &rst
  ixpk= 1463, nxpk= 23, iat= 446,  -1, r1= 0.00, r2= 1.80, r3= 7.55, r4= 8.30,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   22 LEU  HN           22 LEU  MDY         4.50    (#   1464:23  Unique         4.50, 5.19 A)
 &rst
  ixpk= 1464, nxpk= 23, iat= 329,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   32 PHE  HN           22 LEU  MDY         5.50    (#   1465:23  Unique         4.07, 5.29 A)
 &rst
  ixpk= 1465, nxpk= 23, iat= 495,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   28 THR  HN           22 LEU  MDY         5.60    (#   1466:23  Unique         3.32, 5.07 A)
 &rst
  ixpk= 1466, nxpk= 23, iat= 432,  -1, r1= 0.00, r2= 1.80, r3= 7.55, r4= 8.30,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   27 SER  HN           22 LEU  MDY         5.60    (#   1467:23  Unique         2.08, 4.70 A)
 &rst
  ixpk= 1467, nxpk= 23, iat= 421,  -1, r1= 0.00, r2= 1.80, r3= 7.55, r4= 8.30,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   14 VAL  HN           14 VAL  MGX         4.50    (#   1468:23  Unique         1.97, 3.67 A)
 &rst
  ixpk= 1468, nxpk= 23, iat= 212,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 218, 219, 220, 222, 223, 224,
 &end
#
#   23 ARG  HN           22 LEU  MDY         5.60    (#   1469:23  Unique         4.19, 4.94 A)
 &rst
  ixpk= 1469, nxpk= 23, iat= 348,  -1, r1= 0.00, r2= 1.80, r3= 7.55, r4= 8.30,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   32 PHE  HD           22 LEU  MDY         4.50    (#   1470:23  Unique         2.37, 5.35 A)
 &rst
  ixpk= 1470, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 503, 511,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   28 THR  HA           22 LEU  MDY         4.50    (#   1472:23  Unique         2.51, 4.11 A)
 &rst
  ixpk= 1472, nxpk= 23, iat= 434,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   14 VAL  HA           14 VAL  MGX         4.50    (#   1474:23  Unique         2.30, 3.11 A)
 &rst
  ixpk= 1474, nxpk= 23, iat= 214,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 218, 219, 220, 222, 223, 224,
 &end
#
#   29 GLU  HA           22 LEU  MDY         4.50    (#   1475:23  Unique         2.84, 4.46 A)
 &rst
  ixpk= 1475, nxpk= 23, iat= 448,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   22 LEU  HA           22 LEU  MDY         4.50    (#   1476:23  Unique         2.22, 3.87 A)
 &rst
  ixpk= 1476, nxpk= 23, iat= 331,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   32 PHE  HB+          22 LEU  MDY         4.50    (#   1477:23  Unique         2.65, 4.48 A)
 &rst
  ixpk= 1477, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 499, 500,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   31 GLN  HB+          22 LEU  MDY         5.50    (#   1478:23  Unique         4.33, 6.50 A)
 &rst
  ixpk= 1478, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 482, 483,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   22 LEU  HG           22 LEU  MDY         4.50    (#   1479:23  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1479, nxpk= 23, iat= 336,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#    0 AMB  23-2:1480    14 VAL  MGX         3.50    (#   1480:23  Single Ambig)
 &rst
  ixpk= 1480, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 216,1285,1286, 201, 202,
 igr2= 218, 219, 220, 222, 223, 224,
 &end
#
#    0 AMB  23-2:1481    22 LEU  MDY         4.50    (#   1481:23  Single Ambig)
 &rst
  ixpk= 1481, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 352, 353, 352, 353,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   91 ARG  HG+          14 VAL  MGX         4.50    (#   1482:23  Unique         2.13, 4.95 A)
 &rst
  ixpk= 1482, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1357,1358,
 igr2= 218, 219, 220, 222, 223, 224,
 &end
#
#   22 LEU  HB-          22 LEU  MDY         4.50    (#   1483:23  Unique         2.23, 3.30 A)
 &rst
  ixpk= 1483, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 333, 334,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   17 ALA  MB           14 VAL  MGX         4.50    (#   1484:23  Unique         4.32, 6.79 A)
 &rst
  ixpk= 1484, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 259, 260, 261,
 igr2= 218, 219, 220, 222, 223, 224,
 &end
#
#   91 ARG  HG-          14 VAL  MGX         4.50    (#   1485:23  Unique         2.13, 4.95 A)
 &rst
  ixpk= 1485, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1357,1358,
 igr2= 218, 219, 220, 222, 223, 224,
 &end
#
#    0 AMB  23-2:1489    25 THR  MG2         5.50    (#   1489:23  Single Ambig)
 &rst
  ixpk= 1489, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 793, 372,
 igr2= 399, 400, 401,
 &end
#
#   25 THR  HN           25 THR  MG2         4.50    (#   1490:23  Unique         2.88, 3.84 A)
 &rst
  ixpk= 1490, nxpk= 23, iat= 393,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 399, 400, 401,
 &end
#
#    0 AMB  23-2:1492    25 THR  MG2         4.50    (#   1492:23  Single Ambig)
 &rst
  ixpk= 1492, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 397, 795,
 igr2= 399, 400, 401,
 &end
#
#   25 THR  HA           25 THR  MG2         4.50    (#   1493:23  Unique         2.04, 2.85 A)
 &rst
  ixpk= 1493, nxpk= 23, iat= 395,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 399, 400, 401,
 &end
#
#    0 AMB  23-2:1494    96 VAL  MGX         3.50    (#   1494:23  Single Ambig)
 &rst
  ixpk= 1494, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1458, 463,1376,
 igr2=1462,1463,1464,1466,1467,1468,
 &end
#
#   47 ILE  HA           25 THR  MG2         4.50    (#   1495:23  Unique         3.04, 3.99 A)
 &rst
  ixpk= 1495, nxpk= 23, iat= 725,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 399, 400, 401,
 &end
#
#   24 TYR  HB-          25 THR  MG2         5.50    (#   1496:23  Unique         3.28, 5.52 A)
 &rst
  ixpk= 1496, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 376, 377,
 igr2= 399, 400, 401,
 &end
#
#    0 AMB  23-2:1497    96 VAL  MGX         3.50    (#   1497:23  Single Ambig)
 &rst
  ixpk= 1497, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1460, 465, 466,
 igr2=1462,1463,1464,1466,1467,1468,
 &end
#
#   50 LEU  HB+          25 THR  MG2         4.50    (#   1498:23  Unique         2.00, 3.11 A)
 &rst
  ixpk= 1498, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 778, 779,
 igr2= 399, 400, 401,
 &end
#
#   29 GLU  HB-          96 VAL  MGX         4.50    (#   1499:23  Unique         1.99, 3.70 A)
 &rst
  ixpk= 1499, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 450, 451,
 igr2=1462,1463,1464,1466,1467,1468,
 &end
#
#   51 LEU  HG           25 THR  MG2         4.50    (#   1500:23  Unique         2.77, 3.02 A)
 &rst
  ixpk= 1500, nxpk= 23, iat= 800,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 399, 400, 401,
 &end
#
#   51 LEU  HB-          25 THR  MG2         4.50    (#   1501:23  Unique         4.86, 5.31 A)
 &rst
  ixpk= 1501, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 797, 798,
 igr2= 399, 400, 401,
 &end
#
#    0 AMB  23-2:1502    96 VAL  MGX         4.50    (#   1502:23  Single Ambig)
 &rst
  ixpk= 1502, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 522,1381,
 igr2=1462,1463,1464,1466,1467,1468,
 &end
#
#   33 LEU  HB-          96 VAL  MGX         4.50    (#   1503:23  Unique         2.03, 3.96 A)
 &rst
  ixpk= 1503, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 519, 520,
 igr2=1462,1463,1464,1466,1467,1468,
 &end
#
#   47 ILE  MG2          25 THR  MG2         4.50    (#   1504:23  Unique         4.42, 5.97 A)
 &rst
  ixpk= 1504, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 729, 730, 731,
 igr2= 399, 400, 401,
 &end
#
#   51 LEU  MDY          25 THR  MG2         4.50    (#   1505:23  Unique         2.03, 4.26 A)
 &rst
  ixpk= 1505, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 802, 803, 804, 806, 807, 808,
 igr2= 399, 400, 401,
 &end
#
#   21 ILE  MG2          25 THR  MG2         4.50    (#   1506:23  Unique         4.06, 5.69 A)
 &rst
  ixpk= 1506, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 316, 317, 318,
 igr2= 399, 400, 401,
 &end
#
#   44 ARG  HN           43 VAL  MGY         5.50    (#   1508:23  Unique         1.97, 3.84 A)
 &rst
  ixpk= 1508, nxpk= 23, iat= 670,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 660, 661, 662, 664, 665, 666,
 &end
#
#    0 AMB  23-2:1509    43 VAL  MGY         3.50    (#   1509:23  Single Ambig)
 &rst
  ixpk= 1509, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 654, 723,
 igr2= 660, 661, 662, 664, 665, 666,
 &end
#
#   56 SER  HN           55 THR  MG2         4.50    (#   1510:23  Unique         2.03, 4.07 A)
 &rst
  ixpk= 1510, nxpk= 23, iat= 876,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 868, 869, 870,
 &end
#
#    0 AMB  23-2:1511     0 AMB  23-1:1511   5.50    (#   1511:23  Double Ambig)
 &rst
  ixpk= 1511, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 862,1501,
 igr2= 868, 869, 870,1507,1508,1509,
 &end
#
#    0 AMB  23-2:1515    43 VAL  MGY         4.50    (#   1515:23  Single Ambig)
 &rst
  ixpk= 1515, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 656, 672,
 igr2= 660, 661, 662, 664, 665, 666,
 &end
#
#    0 AMB  23-2:1516     0 AMB  23-1:1516   4.50    (#   1516:23  Double Ambig)
 &rst
  ixpk= 1516, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 880, 881,1494,1495,
 igr2= 868, 869, 870,1507,1508,1509,
 &end
#
#   31 GLN  HB+          50 LEU  MDY         4.50    (#   1517:23  Unique         3.38, 5.45 A)
 &rst
  ixpk= 1517, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 482, 483,
 igr2= 783, 784, 785, 787, 788, 789,
 &end
#
#   43 VAL  HB           43 VAL  MGY         4.50    (#   1518:23  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1518, nxpk= 23, iat= 658,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 660, 661, 662, 664, 665, 666,
 &end
#
#   54 GLN  HB-          55 THR  MG2         4.50    (#   1519:23  Unique         2.25, 5.41 A)
 &rst
  ixpk= 1519, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 849, 850,
 igr2= 868, 869, 870,
 &end
#
#   21 ILE  HB           43 VAL  MGY         4.50    (#   1521:23  Unique         3.63, 5.55 A)
 &rst
  ixpk= 1521, nxpk= 23, iat= 314,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 660, 661, 662, 664, 665, 666,
 &end
#
#   44 ARG  HG+          43 VAL  MGY         5.60    (#   1523:23  Unique         3.70, 6.34 A)
 &rst
  ixpk= 1523, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.47, r4= 9.22,
 igr1= 677, 678,
 igr2= 660, 661, 662, 664, 665, 666,
 &end
#
#   46 ALA  MB           43 VAL  MGY         5.50    (#   1524:23  Unique         3.15, 5.99 A)
 &rst
  ixpk= 1524, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 717, 718, 719,
 igr2= 660, 661, 662, 664, 665, 666,
 &end
#
#   43 VAL  MGX          43 VAL  MGY         4.50    (#   1525:23  Unique         0.00, 2.27 A)
#This appears to be self-referential: ignoring
#
#    0 AMB  23-2:1526    43 VAL  MGY         4.50    (#   1526:23  Single Ambig)
 &rst
  ixpk= 1526, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 736, 737, 738, 320, 321,
 igr2= 660, 661, 662, 664, 665, 666,
 &end
#
#   29 GLU  HN           28 THR  MG2         5.50    (#   1527:23  Unique         2.01, 3.66 A)
 &rst
  ixpk= 1527, nxpk= 23, iat= 446,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 438, 439, 440,
 &end
#
#   30 GLN  HN           28 THR  MG2         5.60    (#   1528:23  Unique         1.95, 4.94 A)
 &rst
  ixpk= 1528, nxpk= 23, iat= 461,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 438, 439, 440,
 &end
#
#   32 PHE  HD           50 LEU  MDY         4.50    (#   1529:23  Unique         3.38, 6.94 A)
 &rst
  ixpk= 1529, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 503, 511,
 igr2= 783, 784, 785, 787, 788, 789,
 &end
#
#   45 ILE  HN           43 VAL  MGY         5.50    (#   1530:23  Unique         4.71, 6.00 A)
 &rst
  ixpk= 1530, nxpk= 23, iat= 694,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 660, 661, 662, 664, 665, 666,
 &end
#
#   27 SER  HA           28 THR  MG2         5.50    (#   1532:23  Unique         3.28, 5.24 A)
 &rst
  ixpk= 1532, nxpk= 23, iat= 423,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 438, 439, 440,
 &end
#
#   28 THR  HA           28 THR  MG2         4.50    (#   1535:23  Unique         2.01, 3.01 A)
 &rst
  ixpk= 1535, nxpk= 23, iat= 434,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 438, 439, 440,
 &end
#
#    0 AMB  23-2:1536     0 AMB  23-1:1536   3.50    (#   1536:23  Double Ambig)
 &rst
  ixpk= 1536, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1503,1505, 866,
 igr2=1507,1508,1509, 868, 869, 870,
 &end
#
#    0 AMB  23-2:1537    50 LEU  MDY         3.50    (#   1537:23  Single Ambig)
 &rst
  ixpk= 1537, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 776, 480,
 igr2= 783, 784, 785, 787, 788, 789,
 &end
#
#   14 VAL  HA           14 VAL  MGY         4.50    (#   1538:23  Unique         2.30, 3.11 A)
 &rst
  ixpk= 1538, nxpk= 23, iat= 214,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 218, 219, 220, 222, 223, 224,
 &end
#
#   88 ILE  HA           14 VAL  MGY         4.50    (#   1540:23  Unique         2.31, 4.20 A)
 &rst
  ixpk= 1540, nxpk= 23, iat=1300,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 218, 219, 220, 222, 223, 224,
 &end
#
#    0 AMB  23-2:1541    14 VAL  MGY         3.50    (#   1541:23  Single Ambig)
 &rst
  ixpk= 1541, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 216,1285,1286, 201, 202,
 igr2= 218, 219, 220, 222, 223, 224,
 &end
#
#   47 ILE  HG1+         43 VAL  MGY         5.50    (#   1542:23  Unique         3.37, 5.74 A)
 &rst
  ixpk= 1542, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 733, 734,
 igr2= 660, 661, 662, 664, 665, 666,
 &end
#
#   91 ARG  HB+          14 VAL  MGY         4.50    (#   1543:23  Unique         2.34, 4.72 A)
 &rst
  ixpk= 1543, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1354,1355,
 igr2= 218, 219, 220, 222, 223, 224,
 &end
#
#    0 AMB  23-2:1544    50 LEU  MDY         3.50    (#   1544:23  Single Ambig)
 &rst
  ixpk= 1544, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 781, 482, 483,
 igr2= 783, 784, 785, 787, 788, 789,
 &end
#
#   35 ALA  MB           50 LEU  MDY         4.50    (#   1546:23  Unique         2.00, 4.90 A)
 &rst
  ixpk= 1546, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 553, 554, 555,
 igr2= 783, 784, 785, 787, 788, 789,
 &end
#
#   50 LEU  MDX          50 LEU  MDY         3.50    (#   1547:23  Unique         0.00, 2.27 A)
#This appears to be self-referential: ignoring
#
#   77 LYS  HN           76 VAL  MGX         3.50    (#   1549:23  Unique         1.94, 3.77 A)
 &rst
  ixpk= 1549, nxpk= 23, iat=1132,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#    0 AMB  23-2:1550    76 VAL  MGX         4.50    (#   1550:23  Single Ambig)
 &rst
  ixpk= 1550, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1118,1156,1157,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#    2 VAL  HB            2 VAL  MGX         3.50    (#   1552:23  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1552, nxpk= 23, iat=  19,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=  21,  22,  23,  25,  26,  27,
 &end
#
#   76 VAL  HB           76 VAL  MGX         4.50    (#   1553:23  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1553, nxpk= 23, iat=1120,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#    9 VAL  HB            9 VAL  MGY         3.50    (#   1556:23  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1556, nxpk= 23, iat= 130,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 132, 133, 134, 136, 137, 138,
 &end
#
#    9 VAL  HN            9 VAL  MGX         5.50    (#   1558:23  Unique         1.97, 3.66 A)
 &rst
  ixpk= 1558, nxpk= 23, iat= 126,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 132, 133, 134, 136, 137, 138,
 &end
#
#   77 LYS  HN            0 AMB  23-1:1559   3.50    (#   1559:23  Single Ambig)
 &rst
  ixpk= 1559, nxpk= 23, iat=1132,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr2=1122,1123,1124,1126,1127,1128,1122,1123,1124,1126,
      1127,1128,
 &end
#
#   76 VAL  HB           76 VAL  MGY         4.50    (#   1560:23  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1560, nxpk= 23, iat=1120,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#   77 LYS  HN           76 VAL  MGY         3.50    (#   1561:23  Unique         1.94, 3.77 A)
 &rst
  ixpk= 1561, nxpk= 23, iat=1132,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#   76 VAL  HN           76 VAL  MGY         5.50    (#   1562:23  Unique         1.94, 3.72 A)
 &rst
  ixpk= 1562, nxpk= 23, iat=1116,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#    0 AMB  23-2:1563    76 VAL  MGY         4.50    (#   1563:23  Single Ambig)
 &rst
  ixpk= 1563, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1118,1156,1157,
 igr2=1122,1123,1124,1126,1127,1128,
 &end
#
#    9 VAL  HB            9 VAL  MGX         4.50    (#   1564:23  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1564, nxpk= 23, iat= 130,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 132, 133, 134, 136, 137, 138,
 &end
#
#  101 ALA  HN          101 ALA  MB          5.50    (#   1565:23  Unique         2.13, 3.35 A)
 &rst
  ixpk= 1565, nxpk= 23, iat=1515,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1519,1520,1521,
 &end
#
#  101 ALA  HA          101 ALA  MB          4.50    (#   1566:23  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1566, nxpk= 23, iat=1517,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1519,1520,1521,
 &end
#
#    0 AMB  23-2:1585    46 ALA  MB          4.50    (#   1585:23  Single Ambig)
 &rst
  ixpk= 1585, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 723, 559,
 igr2= 717, 718, 719,
 &end
#
#   36 MET  HN           35 ALA  MB          4.50    (#   1586:23  Unique         2.38, 3.24 A)
 &rst
  ixpk= 1586, nxpk= 23, iat= 559,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 553, 554, 555,
 &end
#
#   46 ALA  HN           46 ALA  MB          4.50    (#   1587:23  Unique         2.08, 2.88 A)
 &rst
  ixpk= 1587, nxpk= 23, iat= 713,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 717, 718, 719,
 &end
#
#   35 ALA  HN           35 ALA  MB          4.50    (#   1588:23  Unique         2.11, 2.88 A)
 &rst
  ixpk= 1588, nxpk= 23, iat= 549,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 553, 554, 555,
 &end
#
#   17 ALA  HN           17 ALA  MB          4.50    (#   1589:23  Unique         2.15, 2.88 A)
 &rst
  ixpk= 1589, nxpk= 23, iat= 255,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 259, 260, 261,
 &end
#
#   32 PHE  HD           35 ALA  MB          4.50    (#   1590:23  Unique         3.55, 5.43 A)
 &rst
  ixpk= 1590, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 503, 511,
 igr2= 553, 554, 555,
 &end
#
#   32 PHE  HE           46 ALA  MB          4.50    (#   1591:23  Unique         3.67, 5.81 A)
 &rst
  ixpk= 1591, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 505, 509,
 igr2= 717, 718, 719,
 &end
#
#   17 ALA  HA           17 ALA  MB          2.80    (#   1594:23  Unique         2.27, 2.63 A)
 &rst
  ixpk= 1594, nxpk= 23, iat= 257,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 259, 260, 261,
 &end
#
#   35 ALA  HA           35 ALA  MB          4.50    (#   1595:23  Unique         2.23, 2.63 A)
 &rst
  ixpk= 1595, nxpk= 23, iat= 551,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 553, 554, 555,
 &end
#
#    0 AMB  23-2:1596    35 ALA  MB          4.50    (#   1596:23  Single Ambig)
 &rst
  ixpk= 1596, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 595, 596, 595, 596,
 igr2= 553, 554, 555,
 &end
#
#   36 MET  HA           46 ALA  MB          4.50    (#   1597:23  Unique         2.95, 3.99 A)
 &rst
  ixpk= 1597, nxpk= 23, iat= 561,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 717, 718, 719,
 &end
#
#   46 ALA  HA           35 ALA  MB          4.50    (#   1598:23  Unique         3.35, 4.56 A)
 &rst
  ixpk= 1598, nxpk= 23, iat= 715,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 553, 554, 555,
 &end
#
#   46 ALA  HA           46 ALA  MB          3.50    (#   1599:23  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1599, nxpk= 23, iat= 715,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 717, 718, 719,
 &end
#
#    0 AMB  23-2:1600    46 ALA  MB          4.50    (#   1600:23  Single Ambig)
 &rst
  ixpk= 1600, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
 igr1= 566, 567, 698, 778, 779,
 igr2= 717, 718, 719,
 &end
#
#    0 AMB  23-2:1601    35 ALA  MB          4.50    (#   1601:23  Single Ambig)
 &rst
  ixpk= 1601, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 778, 779, 756, 757,
 igr2= 553, 554, 555,
 &end
#
#    0 AMB  23-2:1602    35 ALA  MB          4.50    (#   1602:23  Single Ambig)
 &rst
  ixpk= 1602, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 781, 482, 483,
 igr2= 553, 554, 555,
 &end
#
#   46 ALA  MB           35 ALA  MB          3.50    (#   1603:23  Unique         2.54, 4.22 A)
 &rst
  ixpk= 1603, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 717, 718, 719,
 igr2= 553, 554, 555,
 &end
#
#   43 VAL  MGX          46 ALA  MB          4.50    (#   1604:23  Unique         3.15, 5.99 A)
 &rst
  ixpk= 1604, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 660, 661, 662, 664, 665, 666,
 igr2= 717, 718, 719,
 &end
#
#   39 THR  MG2          35 ALA  MB          5.50    (#   1605:23  Unique         4.25, 6.07 A)
 &rst
  ixpk= 1605, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 608, 609, 610,
 igr2= 553, 554, 555,
 &end
#
#   50 LEU  MDY          35 ALA  MB          4.50    (#   1606:23  Unique         2.00, 4.90 A)
 &rst
  ixpk= 1606, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 783, 784, 785, 787, 788, 789,
 igr2= 553, 554, 555,
 &end
#
#   21 ILE  HG1+         17 ALA  MB          5.50    (#   1607:23  Unique         4.64, 6.16 A)
 &rst
  ixpk= 1607, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 320, 321,
 igr2= 259, 260, 261,
 &end
#
#   50 LEU  MDX          35 ALA  MB          4.50    (#   1608:23  Unique         2.00, 4.90 A)
 &rst
  ixpk= 1608, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 783, 784, 785, 787, 788, 789,
 igr2= 553, 554, 555,
 &end
#
#   46 ALA  HN           45 ILE  MG2         5.50    (#   1610:23  Unique         3.77, 4.54 A)
 &rst
  ixpk= 1610, nxpk= 23, iat= 713,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 700, 701, 702,
 &end
#
#   46 ALA  HN           48 ALA  MB          4.50    (#   1611:23  Unique         4.74, 5.76 A)
 &rst
  ixpk= 1611, nxpk= 23, iat= 713,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 746, 747, 748,
 &end
#
#   49 LYS  HN           48 ALA  MB          4.50    (#   1612:23  Unique         2.79, 3.47 A)
 &rst
  ixpk= 1612, nxpk= 23, iat= 752,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 746, 747, 748,
 &end
#
#   49 LYS  HN           45 ILE  MG2         5.60    (#   1613:23  Unique         4.14, 5.10 A)
 &rst
  ixpk= 1613, nxpk= 23, iat= 752,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 700, 701, 702,
 &end
#
#   48 ALA  HN           48 ALA  MB          4.50    (#   1614:23  Unique         2.21, 2.89 A)
 &rst
  ixpk= 1614, nxpk= 23, iat= 742,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 746, 747, 748,
 &end
#
#   45 ILE  HN           45 ILE  MG2         5.50    (#   1615:23  Unique         4.42, 4.53 A)
 &rst
  ixpk= 1615, nxpk= 23, iat= 694,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 700, 701, 702,
 &end
#
#   39 THR  HB           45 ILE  MG2         4.50    (#   1616:23  Unique         2.40, 3.59 A)
 &rst
  ixpk= 1616, nxpk= 23, iat= 606,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 700, 701, 702,
 &end
#
#   48 ALA  HA           48 ALA  MB          2.80    (#   1617:23  Unique         2.29, 2.63 A)
 &rst
  ixpk= 1617, nxpk= 23, iat= 744,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 746, 747, 748,
 &end
#
#   45 ILE  HA           48 ALA  MB          2.80    (#   1618:23  Unique         2.41, 3.42 A)
 &rst
  ixpk= 1618, nxpk= 23, iat= 696,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 746, 747, 748,
 &end
#
#    0 AMB  23-2:1619    45 ILE  MG2         4.50    (#   1619:23  Single Ambig)
 &rst
  ixpk= 1619, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 696, 715,
 igr2= 700, 701, 702,
 &end
#
#   45 ILE  HB           45 ILE  MG2         3.50    (#   1621:23  Unique         2.37, 2.63 A)
 &rst
  ixpk= 1621, nxpk= 23, iat= 698,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 700, 701, 702,
 &end
#
#   49 LYS  HD+          45 ILE  MG2         4.50    (#   1622:23  Unique         1.99, 3.26 A)
 &rst
  ixpk= 1622, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 762, 763,
 igr2= 700, 701, 702,
 &end
#
#   39 THR  MG2          45 ILE  MG2         3.50    (#   1623:23  Unique         2.00, 3.33 A)
 &rst
  ixpk= 1623, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 608, 609, 610,
 igr2= 700, 701, 702,
 &end
#
#    0 AMB  23-2:1625    18 ILE  MG2         5.50    (#   1625:23  Single Ambig)
 &rst
  ixpk= 1625, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 329, 284,
 igr2= 271, 272, 273,
 &end
#
#    0 AMB  23-2:1626    18 ILE  MG2         4.50    (#   1626:23  Single Ambig)
 &rst
  ixpk= 1626, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 265, 296,
 igr2= 271, 272, 273,
 &end
#
#   32 PHE  HD           18 ILE  MG2         4.50    (#   1627:23  Unique         2.75, 4.80 A)
 &rst
  ixpk= 1627, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 503, 511,
 igr2= 271, 272, 273,
 &end
#
#   18 ILE  HA           18 ILE  MG2         4.50    (#   1628:23  Unique         2.41, 3.13 A)
 &rst
  ixpk= 1628, nxpk= 23, iat= 267,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 271, 272, 273,
 &end
#
#   22 LEU  HN           21 ILE  MG2         5.50    (#   1630:23  Unique         3.21, 4.10 A)
 &rst
  ixpk= 1630, nxpk= 23, iat= 329,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 316, 317, 318,
 &end
#
#   21 ILE  HN           21 ILE  MG2         5.50    (#   1631:23  Unique         4.33, 4.51 A)
 &rst
  ixpk= 1631, nxpk= 23, iat= 310,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 316, 317, 318,
 &end
#
#    0 AMB  23-2:1632    21 ILE  MG2         5.60    (#   1632:23  Single Ambig)
 &rst
  ixpk= 1632, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.55, r4= 8.30,
 igr1= 393, 348,
 igr2= 316, 317, 318,
 &end
#
#   32 PHE  HE           21 ILE  MG2         4.50    (#   1633:23  Unique         1.99, 4.20 A)
 &rst
  ixpk= 1633, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 505, 509,
 igr2= 316, 317, 318,
 &end
#
#   21 ILE  HA           21 ILE  MG2         4.50    (#   1635:23  Unique         2.55, 3.19 A)
 &rst
  ixpk= 1635, nxpk= 23, iat= 312,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 316, 317, 318,
 &end
#
#    0 AMB  23-2:1636    88 ILE  MG2         4.50    (#   1636:23  Single Ambig)
 &rst
  ixpk= 1636, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 566, 567, 269,
 igr2=1304,1305,1306,
 &end
#
#   50 LEU  HB+          21 ILE  MG2         5.50    (#   1637:23  Unique         5.61, 6.57 A)
 &rst
  ixpk= 1637, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 778, 779,
 igr2= 316, 317, 318,
 &end
#
#   21 ILE  HB           21 ILE  MG2         4.50    (#   1638:23  Unique         2.38, 2.63 A)
 &rst
  ixpk= 1638, nxpk= 23, iat= 314,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 316, 317, 318,
 &end
#
#   25 THR  MG2          21 ILE  MG2         4.50    (#   1639:23  Unique         4.06, 5.69 A)
 &rst
  ixpk= 1639, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 399, 400, 401,
 igr2= 316, 317, 318,
 &end
#
#    0 AMB  23-2:1640    21 ILE  MG2         3.50    (#   1640:23  Single Ambig)
 &rst
  ixpk= 1640, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
 igr1= 320, 321, 323, 324, 325,
 igr2= 316, 317, 318,
 &end
#
#   21 ILE  MG2          21 ILE  MG2         2.80    (#   1641:23  Unique         0.00, 1.18 A)
#This appears to be self-referential: ignoring
#
#   92 LEU  HN           88 ILE  MG2         5.50    (#   1642:23  Unique         4.38, 5.24 A)
 &rst
  ixpk= 1642, nxpk= 23, iat=1374,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1304,1305,1306,
 &end
#
#   89 LEU  HN           88 ILE  MG2         4.50    (#   1643:23  Unique         3.50, 4.26 A)
 &rst
  ixpk= 1643, nxpk= 23, iat=1317,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1304,1305,1306,
 &end
#
#   32 PHE  HE           88 ILE  MG2         4.50    (#   1644:23  Unique         3.59, 5.74 A)
 &rst
  ixpk= 1644, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 505, 509,
 igr2=1304,1305,1306,
 &end
#
#   89 LEU  HA           88 ILE  MG2         3.50    (#   1645:23  Unique         3.46, 4.55 A)
 &rst
  ixpk= 1645, nxpk= 23, iat=1319,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1304,1305,1306,
 &end
#
#   88 ILE  HA           88 ILE  MG2         4.50    (#   1646:23  Unique         2.35, 3.10 A)
 &rst
  ixpk= 1646, nxpk= 23, iat=1300,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1304,1305,1306,
 &end
#
#   47 ILE  HN           47 ILE  MD1         5.50    (#   1647:23  Unique         3.96, 4.46 A)
 &rst
  ixpk= 1647, nxpk= 23, iat= 723,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 736, 737, 738,
 &end
#
#   18 ILE  HN           18 ILE  MD1         4.50    (#   1648:23  Unique         3.50, 4.19 A)
 &rst
  ixpk= 1648, nxpk= 23, iat= 265,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 278, 279, 280,
 &end
#
#   44 ARG  HA           47 ILE  MD1         4.50    (#   1651:23  Unique         2.10, 3.02 A)
 &rst
  ixpk= 1651, nxpk= 23, iat= 672,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 736, 737, 738,
 &end
#
#   47 ILE  HA           47 ILE  MD1         4.50    (#   1652:23  Unique         4.61, 5.08 A)
 &rst
  ixpk= 1652, nxpk= 23, iat= 725,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 736, 737, 738,
 &end
#
#   21 ILE  MG2          47 ILE  MD1         4.50    (#   1653:23  Unique         4.43, 5.85 A)
 &rst
  ixpk= 1653, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 316, 317, 318,
 igr2= 736, 737, 738,
 &end
#
#   15 ASP  HA           18 ILE  MD1         5.50    (#   1655:23  Unique         2.55, 3.76 A)
 &rst
  ixpk= 1655, nxpk= 23, iat= 230,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 278, 279, 280,
 &end
#
#    0 AMB  23-2:1656    18 ILE  MD1         5.50    (#   1656:23  Single Ambig)
 &rst
  ixpk= 1656, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1376, 214,
 igr2= 278, 279, 280,
 &end
#
#   88 ILE  HA           18 ILE  MD1         4.50    (#   1657:23  Unique         2.31, 3.67 A)
 &rst
  ixpk= 1657, nxpk= 23, iat=1300,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 278, 279, 280,
 &end
#
#   21 ILE  HN           21 ILE  MD1         5.50    (#   1658:23  Unique         3.08, 3.86 A)
 &rst
  ixpk= 1658, nxpk= 23, iat= 310,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 323, 324, 325,
 &end
#
#   18 ILE  HA           21 ILE  MD1         4.50    (#   1661:23  Unique         3.00, 4.02 A)
 &rst
  ixpk= 1661, nxpk= 23, iat= 267,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 323, 324, 325,
 &end
#
#   21 ILE  HA           21 ILE  MD1         4.50    (#   1662:23  Unique         4.40, 4.59 A)
 &rst
  ixpk= 1662, nxpk= 23, iat= 312,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 323, 324, 325,
 &end
#
#   21 ILE  MG2          21 ILE  MD1         4.50    (#   1663:23  Unique         2.58, 4.11 A)
 &rst
  ixpk= 1663, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 316, 317, 318,
 igr2= 323, 324, 325,
 &end
#
#   21 ILE  HG1+         24 TYR  HB+         5.50    (#   1667:23  Unique         4.34, 4.97 A)
 &rst
  ixpk= 1667, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 320, 321,
 igr2= 376, 377,
 &end
#
#   14 VAL  HN           14 VAL  MGY         3.50    (#   1668:23  Unique         1.97, 3.67 A)
 &rst
  ixpk= 1668, nxpk= 23, iat= 212,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 218, 219, 220, 222, 223, 224,
 &end
#
#   88 ILE  HN           88 ILE  MD1         4.50    (#   1671:23  Unique         3.18, 3.98 A)
 &rst
  ixpk= 1671, nxpk= 23, iat=1298,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1311,1312,1313,
 &end
#
#   18 ILE  HN           18 ILE  MD1         4.50    (#   1672:23  Unique         3.50, 4.19 A)
 &rst
  ixpk= 1672, nxpk= 23, iat= 265,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 278, 279, 280,
 &end
#
#   92 LEU  HN           18 ILE  MD1         4.50    (#   1673:23  Unique         3.90, 4.88 A)
 &rst
  ixpk= 1673, nxpk= 23, iat=1374,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 278, 279, 280,
 &end
#
#   96 VAL  HN           96 VAL  HA          4.50    (#   1675:23  Unique         2.79, 2.80 A)
 &rst
  ixpk= 1675, nxpk= 23, iat=1456,1458, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   71 ARG  HD+          71 ARG  HA          4.50    (#   1684:23  Unique         2.09, 4.02 A)
 &rst
  ixpk= 1684, nxpk= 23, iat=  -1,1030, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1038,1039,
 &end
#
#   74 LEU  HB-          74 LEU  HG          3.50    (#   1691:23  Unique         2.42, 2.66 A)
 &rst
  ixpk= 1691, nxpk= 23, iat=  -1,1093, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1090,1091,
 &end
#
#    0 AMB  23-2:1692    33 LEU  HG          3.50    (#   1692:23  Single Ambig)
 &rst
  ixpk= 1692, nxpk= 23, iat=  -1, 522, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 524, 525, 526, 528, 529, 530,1462,1463,1464,1466,
      1467,1468,
 &end
#
#   50 LEU  HB-          50 LEU  MDY         4.50    (#   1693:23  Unique         2.00, 3.21 A)
 &rst
  ixpk= 1693, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 778, 779,
 igr2= 783, 784, 785, 787, 788, 789,
 &end
#
#   49 LYS  HE+          45 ILE  MG2         5.50    (#   1694:23  Unique         2.00, 3.20 A)
 &rst
  ixpk= 1694, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 765, 766,
 igr2= 700, 701, 702,
 &end
#
#   19 ASP  HA           18 ILE  MG2         5.50    (#   1695:23  Unique         3.99, 4.57 A)
 &rst
  ixpk= 1695, nxpk= 23, iat= 286,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 271, 272, 273,
 &end
#
#   45 ILE  MG2          45 ILE  MD1         3.50    (#   1696:23  Unique         2.06, 3.64 A)
 &rst
  ixpk= 1696, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 700, 701, 702,
 igr2= 707, 708, 709,
 &end
#
#   45 ILE  HG1-         45 ILE  MD1         4.50    (#   1697:23  Unique         2.21, 2.62 A)
 &rst
  ixpk= 1697, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 704, 705,
 igr2= 707, 708, 709,
 &end
#
#    0 AMB  23-2:1698    45 ILE  MD1         4.50    (#   1698:23  Single Ambig)
 &rst
  ixpk= 1698, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 677, 678, 762, 763,
 igr2= 707, 708, 709,
 &end
#
#   45 ILE  HB           45 ILE  MD1         4.50    (#   1699:23  Unique         2.37, 3.12 A)
 &rst
  ixpk= 1699, nxpk= 23, iat= 698,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 707, 708, 709,
 &end
#
#   42 ARG  HD+          45 ILE  MD1         4.50    (#   1700:23  Unique         3.18, 5.22 A)
 &rst
  ixpk= 1700, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 640, 641,
 igr2= 707, 708, 709,
 &end
#
#    0 AMB  23-2:1701    45 ILE  MD1         4.50    (#   1701:23  Single Ambig)
 &rst
  ixpk= 1701, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 696, 618, 619,
 igr2= 707, 708, 709,
 &end
#
#   12 ARG  HN           12 ARG  HA          4.50    (#   1702:23  Unique         2.75, 2.78 A)
 &rst
  ixpk= 1702, nxpk= 23, iat= 173, 175, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   97 SER  HA           97 SER  HB+         3.50    (#   1705:23  Unique         2.31, 2.77 A)
 &rst
  ixpk= 1705, nxpk= 23, iat=1474,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1476,1477,
 &end
#
#   81 TYR  HA           81 TYR  HB-         4.50    (#   1707:23  Unique         2.36, 2.71 A)
 &rst
  ixpk= 1707, nxpk= 23, iat=1199,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1201,1202,
 &end
#
#   25 THR  MG2          51 LEU  MDX         4.50    (#   1710:23  Unique         2.03, 4.26 A)
 &rst
  ixpk= 1710, nxpk= 23, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 399, 400, 401,
 igr2= 802, 803, 804, 806, 807, 808,
 &end
#
#  103 SER  HA          104 ALA  HN          5.50    (#      1:12  Unique         2.14, 2.91 A)
 &rst
  ixpk= 1, nxpk= 12, iat=1544,1553, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   24 TYR  HN           25 THR  HN          4.50    (#      6:12  Unique         2.88, 2.93 A)
 &rst
  ixpk= 6, nxpk= 12, iat= 372, 393, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   25 THR  HA           25 THR  HN          4.50    (#      7:12  Unique         2.87, 2.88 A)
 &rst
  ixpk= 7, nxpk= 12, iat= 395, 393, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   22 LEU  HA           25 THR  HN          5.50    (#      8:12  Unique         4.00, 4.11 A)
 &rst
  ixpk= 8, nxpk= 12, iat= 331, 393, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   21 ILE  HA           25 THR  HN          5.60    (#      9:12  Unique         3.92, 4.01 A)
 &rst
  ixpk= 9, nxpk= 12, iat= 312, 393, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,  &end
#
#   24 TYR  HB+          25 THR  HN          5.50    (#     10:12  Unique         2.28, 2.97 A)
 &rst
  ixpk= 10, nxpk= 12, iat=  -1, 393, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 376, 377,
 &end
#
#   24 TYR  HB-          25 THR  HN          4.50    (#     11:12  Unique         2.28, 2.97 A)
 &rst
  ixpk= 11, nxpk= 12, iat=  -1, 393, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 376, 377,
 &end
#
#   25 THR  MG2          25 THR  HN          4.50    (#     12:12  Unique         2.88, 3.84 A)
 &rst
  ixpk= 12, nxpk= 12, iat=  -1, 393, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 399, 400, 401,
 &end
#
#   44 ARG  HN           43 VAL  HN          4.50    (#     15:12  Unique         2.64, 2.64 A)
 &rst
  ixpk= 15, nxpk= 12, iat= 670, 654, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   42 ARG  HA           43 VAL  HN          3.50    (#     16:12  Unique         2.14, 2.16 A)
 &rst
  ixpk= 16, nxpk= 12, iat= 632, 654, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  12-2:17      43 VAL  HN          4.50    (#     17:12  Single Ambig)
 &rst
  ixpk= 17, nxpk= 12, iat=  -1, 654, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1257,1258,1255,
 &end
#
#   43 VAL  HA           43 VAL  HN          4.50    (#     18:12  Unique         2.81, 2.81 A)
 &rst
  ixpk= 18, nxpk= 12, iat= 656, 654, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   43 VAL  HB           43 VAL  HN          4.50    (#     19:12  Unique         2.44, 2.48 A)
 &rst
  ixpk= 19, nxpk= 12, iat= 658, 654, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   43 VAL  MGX          43 VAL  HN          4.50    (#     21:12  Unique         2.10, 3.80 A)
 &rst
  ixpk= 21, nxpk= 12, iat=  -1, 654, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 660, 661, 662, 664, 665, 666,
 &end
#
#   43 VAL  MGY          43 VAL  HN          4.50    (#     22:12  Unique         2.10, 3.80 A)
 &rst
  ixpk= 22, nxpk= 12, iat=  -1, 654, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 660, 661, 662, 664, 665, 666,
 &end
#
#    0 AMB  12-2:25     101 ALA  HN          4.50    (#     25:12  Single Ambig)
 &rst
  ixpk= 25, nxpk= 12, iat=  -1,1515, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1503,1517,
 &end
#
#  101 ALA  MB          101 ALA  HN          4.50    (#     26:12  Unique         2.13, 3.35 A)
 &rst
  ixpk= 26, nxpk= 12, iat=  -1,1515, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1519,1520,1521,
 &end
#
#  100 THR  MG2         101 ALA  HN          4.50    (#     27:12  Unique         1.95, 4.38 A)
 &rst
  ixpk= 27, nxpk= 12, iat=  -1,1515, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1507,1508,1509,
 &end
#
#   44 ARG  HN           46 ALA  HN          5.60    (#     30:12  Unique         4.01, 4.09 A)
 &rst
  ixpk= 30, nxpk= 12, iat= 670, 713, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,  &end
#
#    0 AMB  12-2:31      46 ALA  HN          4.50    (#     31:12  Single Ambig)
 &rst
  ixpk= 31, nxpk= 12, iat=  -1, 713, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 723, 654,
 &end
#
#   48 ALA  HN           46 ALA  HN          5.60    (#     32:12  Unique         3.86, 3.87 A)
 &rst
  ixpk= 32, nxpk= 12, iat= 742, 713, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,  &end
#
#   45 ILE  HN           46 ALA  HN          3.50    (#     33:12  Unique         2.57, 2.61 A)
 &rst
  ixpk= 33, nxpk= 12, iat= 694, 713, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   39 THR  HB           46 ALA  HN          5.60    (#     34:12  Unique         3.70, 3.99 A)
 &rst
  ixpk= 34, nxpk= 12, iat= 606, 713, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,  &end
#
#    0 AMB  12-2:35      46 ALA  HN          3.50    (#     35:12  Single Ambig)
 &rst
  ixpk= 35, nxpk= 12, iat=  -1, 713, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 715, 696,
 &end
#
#    0 AMB  12-2:36      46 ALA  HN          4.50    (#     36:12  Single Ambig)
 &rst
  ixpk= 36, nxpk= 12, iat=  -1, 713, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 698, 634, 635,
 &end
#
#   42 ARG  HB-          46 ALA  HN          4.50    (#     37:12  Unique         4.33, 4.50 A)
 &rst
  ixpk= 37, nxpk= 12, iat=  -1, 713, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 634, 635,
 &end
#
#   44 ARG  HG+          46 ALA  HN          4.50    (#     38:12  Unique         4.49, 4.69 A)
 &rst
  ixpk= 38, nxpk= 12, iat=  -1, 713, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 677, 678,
 &end
#
#   46 ALA  MB           46 ALA  HN          3.50    (#     39:12  Unique         2.08, 2.88 A)
 &rst
  ixpk= 39, nxpk= 12, iat=  -1, 713, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 717, 718, 719,
 &end
#
#   39 THR  MG2          46 ALA  HN          4.50    (#     40:12  Unique         2.76, 4.01 A)
 &rst
  ixpk= 40, nxpk= 12, iat=  -1, 713, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 608, 609, 610,
 &end
#
#   45 ILE  MG2          46 ALA  HN          4.50    (#     41:12  Unique         3.77, 4.54 A)
 &rst
  ixpk= 41, nxpk= 12, iat=  -1, 713, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 700, 701, 702,
 &end
#
#    3 SER  HA            4 ILE  HN          4.50    (#     44:12  Unique         2.15, 2.50 A)
 &rst
  ixpk= 44, nxpk= 12, iat=  33,  42, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   20 ASN  HN           22 LEU  HN          4.50    (#     45:12  Unique         3.88, 4.11 A)
 &rst
  ixpk= 45, nxpk= 12, iat= 296, 329, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   21 ILE  HN           22 LEU  HN          4.50    (#     46:12  Unique         2.52, 2.66 A)
 &rst
  ixpk= 46, nxpk= 12, iat= 310, 329, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   23 ARG  HN           22 LEU  HN          4.50    (#     47:12  Unique         2.71, 2.85 A)
 &rst
  ixpk= 47, nxpk= 12, iat= 348, 329, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   19 ASP  HA           22 LEU  HN          4.50    (#     49:12  Unique         3.49, 3.68 A)
 &rst
  ixpk= 49, nxpk= 12, iat= 286, 329, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   22 LEU  HA           22 LEU  HN          4.50    (#     50:12  Unique         2.77, 2.78 A)
 &rst
  ixpk= 50, nxpk= 12, iat= 331, 329, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   22 LEU  HG           22 LEU  HN          4.50    (#     51:12  Unique         4.27, 4.32 A)
 &rst
  ixpk= 51, nxpk= 12, iat= 336, 329, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   62 SER  HA           63 LYS  HN          4.50    (#     53:12  Unique         2.14, 2.39 A)
 &rst
  ixpk= 53, nxpk= 12, iat= 928, 937, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   21 ILE  HA           22 LEU  HN          5.50    (#     54:12  Unique         3.51, 3.55 A)
 &rst
  ixpk= 54, nxpk= 12, iat= 312, 329, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   21 ILE  HB           22 LEU  HN          4.50    (#     55:12  Unique         2.48, 2.56 A)
 &rst
  ixpk= 55, nxpk= 12, iat= 314, 329, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   21 ILE  MG2          22 LEU  HN          5.50    (#     59:12  Unique         3.21, 4.10 A)
 &rst
  ixpk= 59, nxpk= 12, iat=  -1, 329, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 316, 317, 318,
 &end
#
#   76 VAL  HA           77 LYS  HN          4.50    (#     61:12  Unique         2.28, 2.72 A)
 &rst
  ixpk= 61, nxpk= 12, iat=1118,1132, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   63 LYS  HB-          63 LYS  HN          4.50    (#     62:12  Unique         2.23, 3.28 A)
 &rst
  ixpk= 62, nxpk= 12, iat=  -1, 937, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 941, 942,
 &end
#
#   77 LYS  HA           77 LYS  HN          3.50    (#     63:12  Unique         2.27, 2.79 A)
 &rst
  ixpk= 63, nxpk= 12, iat=1134,1132, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   76 VAL  HB           77 LYS  HN          4.50    (#     64:12  Unique         1.95, 3.27 A)
 &rst
  ixpk= 64, nxpk= 12, iat=1120,1132, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   77 LYS  HB+          77 LYS  HN          3.50    (#     65:12  Unique         2.32, 3.22 A)
 &rst
  ixpk= 65, nxpk= 12, iat=  -1,1132, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1136,1137,
 &end
#
#   77 LYS  HG+          77 LYS  HN          2.80    (#     66:12  Unique         1.99, 2.96 A)
 &rst
  ixpk= 66, nxpk= 12, iat=  -1,1132, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1139,1140,
 &end
#
#    0 AMB  12-2:67      77 LYS  HN          2.80    (#     67:12  Single Ambig)
 &rst
  ixpk= 67, nxpk= 12, iat=  -1,1132, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1122,1123,1124,1126,1127,1128,1122,1123,1124,1126,
      1127,1128,
 &end
#
#    0 AMB  12-2:68      21 ILE  HN          4.50    (#     68:12  Single Ambig)
 &rst
  ixpk= 68, nxpk= 12, iat=  -1, 310, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 329, 284,
 &end
#
#    0 AMB  12-2:69      21 ILE  HN          4.50    (#     69:12  Single Ambig)
 &rst
  ixpk= 69, nxpk= 12, iat=  -1, 310, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 296, 265,
 &end
#
#   21 ILE  HA           21 ILE  HN          4.50    (#     71:12  Unique         2.82, 2.83 A)
 &rst
  ixpk= 71, nxpk= 12, iat= 312, 310, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   20 ASN  HB+          21 ILE  HN          4.50    (#     72:12  Unique         2.34, 2.92 A)
 &rst
  ixpk= 72, nxpk= 12, iat=  -1, 310, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 300, 301,
 &end
#
#   20 ASN  HB-          21 ILE  HN          4.50    (#     73:12  Unique         2.34, 2.92 A)
 &rst
  ixpk= 73, nxpk= 12, iat=  -1, 310, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 300, 301,
 &end
#
#   21 ILE  HB           21 ILE  HN          3.50    (#     74:12  Unique         2.40, 2.43 A)
 &rst
  ixpk= 74, nxpk= 12, iat= 314, 310, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  12-2:76      21 ILE  HN          4.50    (#     76:12  Single Ambig)
 &rst
  ixpk= 76, nxpk= 12, iat=  -1, 310, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 320, 321, 323, 324, 325,
 &end
#
#   21 ILE  MG2          21 ILE  HN          5.50    (#     77:12  Unique         4.33, 4.51 A)
 &rst
  ixpk= 77, nxpk= 12, iat=  -1, 310, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 316, 317, 318,
 &end
#
#    0 AMB  12-2:80      64 LEU  HN          4.50    (#     80:12  Single Ambig)
 &rst
  ixpk= 80, nxpk= 12, iat=  -1, 959, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 939, 961,
 &end
#
#    0 AMB  12-2:81      64 LEU  HN          4.50    (#     81:12  Single Ambig)
 &rst
  ixpk= 81, nxpk= 12, iat=  -1, 959, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 966, 963, 964,
 &end
#
#    0 AMB  12-2:82      74 LEU  HN          4.50    (#     82:12  Single Ambig)
 &rst
  ixpk= 82, nxpk= 12, iat=  -1,1086, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1074,1105,
 &end
#
#   73 ASP  HA           74 LEU  HN          4.50    (#     84:12  Unique         2.14, 2.42 A)
 &rst
  ixpk= 84, nxpk= 12, iat=1076,1086, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   74 LEU  HA           74 LEU  HN          4.50    (#     85:12  Unique         2.76, 2.91 A)
 &rst
  ixpk= 85, nxpk= 12, iat=1088,1086, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  12-2:86      74 LEU  HN          5.50    (#     86:12  Single Ambig)
 &rst
  ixpk= 86, nxpk= 12, iat=  -1,1086, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1078,1079,1078,1079,
 &end
#
#   74 LEU  HB+          74 LEU  HN          3.50    (#     87:12  Unique         2.05, 2.86 A)
 &rst
  ixpk= 87, nxpk= 12, iat=  -1,1086, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1090,1091,
 &end
#
#   74 LEU  HB-          74 LEU  HN          3.50    (#     88:12  Unique         2.05, 2.86 A)
 &rst
  ixpk= 88, nxpk= 12, iat=  -1,1086, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1090,1091,
 &end
#
#    0 AMB  12-2:89      74 LEU  HN          4.50    (#     89:12  Single Ambig)
 &rst
  ixpk= 89, nxpk= 12, iat=  -1,1086, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1095,1096,1097,1099,1100,1101,1095,1096,1097,1099,
      1100,1101,
 &end
#
#   71 ARG  HA           72 LYS  HN          3.50    (#     91:12  Unique         2.21, 2.79 A)
 &rst
  ixpk= 91, nxpk= 12, iat=1030,1052, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  12-2:92      72 LYS  HN          4.50    (#     92:12  Single Ambig)
 &rst
  ixpk= 92, nxpk= 12, iat=  -1,1052, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1032,1033,1056,1057,
 &end
#
#   18 ILE  HN           17 ALA  HN          4.50    (#     93:12  Unique         2.87, 2.89 A)
 &rst
  ixpk= 93, nxpk= 12, iat= 265, 255, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   16 GLU  HN           17 ALA  HN          4.50    (#     94:12  Unique         2.86, 2.89 A)
 &rst
  ixpk= 94, nxpk= 12, iat= 240, 255, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   17 ALA  HA           17 ALA  HN          3.50    (#     96:12  Unique         2.75, 2.75 A)
 &rst
  ixpk= 96, nxpk= 12, iat= 257, 255, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    9 VAL  HA           10 ASN  HN          4.50    (#     97:12  Unique         2.14, 2.78 A)
 &rst
  ixpk= 97, nxpk= 12, iat= 128, 142, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   14 VAL  HA           17 ALA  HN          4.50    (#     98:12  Unique         3.85, 3.88 A)
 &rst
  ixpk= 98, nxpk= 12, iat= 214, 255, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  12-2:99      10 ASN  HN          4.50    (#     99:12  Single Ambig)
 &rst
  ixpk= 99, nxpk= 12, iat=  -1, 142, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 146, 147, 146, 147,
 &end
#
#   16 GLU  HB+          17 ALA  HN          3.50    (#    100:12  Unique         2.09, 2.83 A)
 &rst
  ixpk= 100, nxpk= 12, iat=  -1, 255, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 244, 245,
 &end
#
#   17 ALA  MB           17 ALA  HN          3.50    (#    101:12  Unique         2.15, 2.88 A)
 &rst
  ixpk= 101, nxpk= 12, iat=  -1, 255, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 259, 260, 261,
 &end
#
#    9 VAL  MGY          10 ASN  HN          4.50    (#    102:12  Unique         2.15, 4.37 A)
 &rst
  ixpk= 102, nxpk= 12, iat=  -1, 142, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 132, 133, 134, 136, 137, 138,
 &end
#
#   24 TYR  HN           26 ASN  HN          5.50    (#    103:12  Unique         3.69, 3.72 A)
 &rst
  ixpk= 103, nxpk= 12, iat= 372, 407, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   27 SER  HN           26 ASN  HN          2.80    (#    104:12  Unique         2.80, 2.81 A)
 &rst
  ixpk= 104, nxpk= 12, iat= 421, 407, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   26 ASN  HA           26 ASN  HN          3.50    (#    105:12  Unique         2.27, 2.27 A)
 &rst
  ixpk= 105, nxpk= 12, iat= 409, 407, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   23 ARG  HA           26 ASN  HN          4.50    (#    106:12  Unique         3.14, 3.20 A)
 &rst
  ixpk= 106, nxpk= 12, iat= 350, 407, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   25 THR  HA           26 ASN  HN          5.60    (#    107:12  Unique         3.25, 3.31 A)
 &rst
  ixpk= 107, nxpk= 12, iat= 395, 407, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,  &end
#
#   22 LEU  HA           26 ASN  HN          5.60    (#    108:12  Unique         4.68, 4.92 A)
 &rst
  ixpk= 108, nxpk= 12, iat= 331, 407, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,  &end
#
#   26 ASN  HB+          26 ASN  HN          4.50    (#    109:12  Unique         3.08, 3.53 A)
 &rst
  ixpk= 109, nxpk= 12, iat=  -1, 407, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 411, 412,
 &end
#
#   26 ASN  HB-          26 ASN  HN          4.50    (#    110:12  Unique         3.08, 3.53 A)
 &rst
  ixpk= 110, nxpk= 12, iat=  -1, 407, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 411, 412,
 &end
#
#   36 MET  HN           35 ALA  HN          4.50    (#    113:12  Unique         2.83, 2.84 A)
 &rst
  ixpk= 113, nxpk= 12, iat= 559, 549, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   34 GLU  HN           33 LEU  HN          4.50    (#    114:12  Unique         2.86, 2.88 A)
 &rst
  ixpk= 114, nxpk= 12, iat= 534, 515, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   34 GLU  HN           35 ALA  HN          4.50    (#    115:12  Unique         2.52, 2.52 A)
 &rst
  ixpk= 115, nxpk= 12, iat= 534, 549, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   93 ARG  HN           92 LEU  HN          4.50    (#    116:12  Unique         2.56, 2.59 A)
 &rst
  ixpk= 116, nxpk= 12, iat=1393,1374, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   91 ARG  HN           92 LEU  HN          4.50    (#    117:12  Unique         2.66, 2.67 A)
 &rst
  ixpk= 117, nxpk= 12, iat=1350,1374, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   32 PHE  HD           33 LEU  HN          5.60    (#    118:12  Unique         4.44, 4.94 A)
 &rst
  ixpk= 118, nxpk= 12, iat=  -1, 515, r1= 0.00, r2= 1.80, r3= 6.29, r4= 7.04,
 igr1= 503, 511,
 &end
#
#   91 ARG  HA           92 LEU  HN          5.50    (#    120:12  Unique         3.50, 3.50 A)
 &rst
  ixpk= 120, nxpk= 12, iat=1352,1374, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   34 GLU  HA           35 ALA  HN          3.50    (#    123:12  Unique         3.51, 3.52 A)
 &rst
  ixpk= 123, nxpk= 12, iat= 536, 549, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   92 LEU  HA           92 LEU  HN          4.50    (#    124:12  Unique         2.83, 2.83 A)
 &rst
  ixpk= 124, nxpk= 12, iat=1376,1374, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   33 LEU  HA           33 LEU  HN          4.50    (#    125:12  Unique         2.76, 2.76 A)
 &rst
  ixpk= 125, nxpk= 12, iat= 517, 515, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   88 ILE  HA           92 LEU  HN          5.60    (#    126:12  Unique         3.96, 4.00 A)
 &rst
  ixpk= 126, nxpk= 12, iat=1300,1374, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,  &end
#
#   34 GLU  HB+          35 ALA  HN          3.50    (#    129:12  Unique         3.07, 3.13 A)
 &rst
  ixpk= 129, nxpk= 12, iat=  -1, 549, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 538, 539,
 &end
#
#    0 AMB  12-2:130     92 LEU  HN          3.50    (#    130:12  Single Ambig)
 &rst
  ixpk= 130, nxpk= 12, iat=  -1,1374, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1378,1379,1357,1358,
 &end
#
#   35 ALA  MB           35 ALA  HN          3.50    (#    131:12  Unique         2.11, 2.88 A)
 &rst
  ixpk= 131, nxpk= 12, iat=  -1, 549, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 553, 554, 555,
 &end
#
#   33 LEU  HB-          33 LEU  HN          3.50    (#    133:12  Unique         2.14, 2.55 A)
 &rst
  ixpk= 133, nxpk= 12, iat=  -1, 515, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 519, 520,
 &end
#
#   18 ILE  MD1          92 LEU  HN          5.50    (#    135:12  Unique         3.90, 4.88 A)
 &rst
  ixpk= 135, nxpk= 12, iat=  -1,1374, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 278, 279, 280,
 &end
#
#   96 VAL  MGY          33 LEU  HN          4.50    (#    136:12  Unique         3.20, 4.54 A)
 &rst
  ixpk= 136, nxpk= 12, iat=  -1, 515, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1462,1463,1464,1466,1467,1468,
 &end
#
#   92 LEU  MDX          33 LEU  HN          4.50    (#    138:12  Unique         3.11, 4.46 A)
 &rst
  ixpk= 138, nxpk= 12, iat=  -1, 515, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1383,1384,1385,1387,1388,1389,
 &end
#
#   32 PHE  HB+          33 LEU  HN          4.50    (#    140:12  Unique         2.51, 2.99 A)
 &rst
  ixpk= 140, nxpk= 12, iat=  -1, 515, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 499, 500,
 &end
#
#   33 LEU  HB+          33 LEU  HN          3.50    (#    141:12  Unique         2.14, 2.55 A)
 &rst
  ixpk= 141, nxpk= 12, iat=  -1, 515, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 519, 520,
 &end
#
#   31 GLN  HN           32 PHE  HN          4.50    (#    142:12  Unique         2.77, 2.80 A)
 &rst
  ixpk= 142, nxpk= 12, iat= 478, 495, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   32 PHE  HD           32 PHE  HN          5.50    (#    143:12  Unique         3.87, 4.56 A)
 &rst
  ixpk= 143, nxpk= 12, iat=  -1, 495, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 503, 511,
 &end
#
#   31 GLN  HA           32 PHE  HN          5.50    (#    145:12  Unique         3.54, 3.55 A)
 &rst
  ixpk= 145, nxpk= 12, iat= 480, 495, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   29 GLU  HA           32 PHE  HN          4.50    (#    146:12  Unique         3.65, 3.70 A)
 &rst
  ixpk= 146, nxpk= 12, iat= 448, 495, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   32 PHE  HB+          32 PHE  HN          3.50    (#    147:12  Unique         2.16, 2.58 A)
 &rst
  ixpk= 147, nxpk= 12, iat=  -1, 495, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 499, 500,
 &end
#
#   31 GLN  HB+          32 PHE  HN          4.50    (#    148:12  Unique         2.38, 3.07 A)
 &rst
  ixpk= 148, nxpk= 12, iat=  -1, 495, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 482, 483,
 &end
#
#   31 GLN  HB-          32 PHE  HN          4.50    (#    149:12  Unique         2.38, 3.07 A)
 &rst
  ixpk= 149, nxpk= 12, iat=  -1, 495, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 482, 483,
 &end
#
#   84 ASP  HA           84 ASP  HN          3.50    (#    154:12  Unique         2.81, 2.90 A)
 &rst
  ixpk= 154, nxpk= 12, iat=1243,1241, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    8 SER  HA            9 VAL  HN          4.50    (#    157:12  Unique         2.14, 2.79 A)
 &rst
  ixpk= 157, nxpk= 12, iat= 117, 126, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   83 SER  HA           84 ASP  HN          4.50    (#    159:12  Unique         2.15, 2.64 A)
 &rst
  ixpk= 159, nxpk= 12, iat=1232,1241, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   84 ASP  HB+          84 ASP  HN          2.80    (#    160:12  Unique         2.21, 2.89 A)
 &rst
  ixpk= 160, nxpk= 12, iat=  -1,1241, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1245,1246,
 &end
#
#   84 ASP  HB-          84 ASP  HN          3.50    (#    161:12  Unique         2.21, 2.89 A)
 &rst
  ixpk= 161, nxpk= 12, iat=  -1,1241, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1245,1246,
 &end
#
#    9 VAL  MGX           9 VAL  HN          4.50    (#    162:12  Unique         1.97, 3.66 A)
 &rst
  ixpk= 162, nxpk= 12, iat=  -1, 126, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 132, 133, 134, 136, 137, 138,
 &end
#
#    0 AMB  12-2:164     86 GLN  HN          4.50    (#    164:12  Single Ambig)
 &rst
  ixpk= 164, nxpk= 12, iat=  -1,1264, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1253,1281,
 &end
#
#   75 SER  HA           76 VAL  HN          4.50    (#    169:12  Unique         2.14, 2.46 A)
 &rst
  ixpk= 169, nxpk= 12, iat=1107,1116, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  12-2:170     86 GLN  HN          4.50    (#    170:12  Single Ambig)
 &rst
  ixpk= 170, nxpk= 12, iat=  -1,1264, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1257,1258,1266,1255,
 &end
#
#   76 VAL  HA           76 VAL  HN          4.50    (#    171:12  Unique         2.77, 2.90 A)
 &rst
  ixpk= 171, nxpk= 12, iat=1118,1116, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   86 GLN  HG+          86 GLN  HN          5.50    (#    173:12  Unique         1.95, 2.62 A)
 &rst
  ixpk= 173, nxpk= 12, iat=  -1,1264, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1271,1272,
 &end
#
#   86 GLN  HB+          86 GLN  HN          4.50    (#    174:12  Unique         2.34, 3.09 A)
 &rst
  ixpk= 174, nxpk= 12, iat=  -1,1264, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1268,1269,
 &end
#
#   76 VAL  HB           76 VAL  HN          4.50    (#    175:12  Unique         2.46, 3.29 A)
 &rst
  ixpk= 175, nxpk= 12, iat=1120,1116, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  12-2:177     76 VAL  HN          4.50    (#    177:12  Single Ambig)
 &rst
  ixpk= 177, nxpk= 12, iat=  -1,1116, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1122,1123,1124,1126,1127,1128,1122,1123,1124,1126,
      1127,1128,
 &end
#
#   75 SER  HN           76 VAL  HN          5.60    (#    178:12  Unique         2.07, 4.09 A)
 &rst
  ixpk= 178, nxpk= 12, iat=1105,1116, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,  &end
#
#   88 ILE  HG1+         89 LEU  HN          4.50    (#    188:12  Unique         4.06, 4.49 A)
 &rst
  ixpk= 188, nxpk= 12, iat=  -1,1317, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1308,1309,
 &end
#
#    0 AMB  12-2:190     89 LEU  HN          4.50    (#    190:12  Single Ambig)
 &rst
  ixpk= 190, nxpk= 12, iat=  -1,1317, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1266,1255,
 &end
#
#   89 LEU  HA           89 LEU  HN          4.50    (#    191:12  Unique         2.80, 2.81 A)
 &rst
  ixpk= 191, nxpk= 12, iat=1319,1317, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   88 ILE  HA           89 LEU  HN          5.50    (#    192:12  Unique         3.54, 3.55 A)
 &rst
  ixpk= 192, nxpk= 12, iat=1300,1317, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   73 ASP  HB-          73 ASP  HN          3.50    (#    193:12  Unique         2.28, 3.05 A)
 &rst
  ixpk= 193, nxpk= 12, iat=  -1,1074, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1078,1079,
 &end
#
#    0 AMB  12-2:194     89 LEU  HN          3.50    (#    194:12  Single Ambig)
 &rst
  ixpk= 194, nxpk= 12, iat=  -1,1317, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1321,1322,1302,
 &end
#
#    0 AMB  12-2:196     89 LEU  HN          3.50    (#    196:12  Single Ambig)
 &rst
  ixpk= 196, nxpk= 12, iat=  -1,1317, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1321,1322,1324,
 &end
#
#   28 THR  MG2          29 GLU  HN          4.50    (#    197:12  Unique         2.01, 3.66 A)
 &rst
  ixpk= 197, nxpk= 12, iat=  -1, 446, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 438, 439, 440,
 &end
#
#   88 ILE  MG2          89 LEU  HN          4.50    (#    198:12  Unique         3.50, 4.26 A)
 &rst
  ixpk= 198, nxpk= 12, iat=  -1,1317, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1304,1305,1306,
 &end
#
#   29 GLU  HN           29 GLU  HN          2.80    (#    199:12  Unique         0.00, 0.00 A)
#This appears to be self-referential: ignoring
#
#   30 GLN  HN           29 GLU  HN          4.50    (#    200:12  Unique         2.69, 2.78 A)
 &rst
  ixpk= 200, nxpk= 12, iat= 461, 446, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   47 ILE  HN           48 ALA  HN          4.50    (#    201:12  Unique         2.60, 2.62 A)
 &rst
  ixpk= 201, nxpk= 12, iat= 723, 742, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   49 LYS  HN           48 ALA  HN          4.50    (#    202:12  Unique         2.53, 2.54 A)
 &rst
  ixpk= 202, nxpk= 12, iat= 752, 742, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   48 ALA  HN           48 ALA  HN          2.80    (#    204:12  Unique         0.00, 0.00 A)
#This appears to be self-referential: ignoring
#
#   28 THR  HA           29 GLU  HN          3.50    (#    207:12  Unique         2.48, 2.62 A)
 &rst
  ixpk= 207, nxpk= 12, iat= 434, 446, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   73 ASP  HA           73 ASP  HN          4.50    (#    208:12  Unique         2.28, 2.88 A)
 &rst
  ixpk= 208, nxpk= 12, iat=1076,1074, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   72 LYS  HA           73 ASP  HN          4.50    (#    209:12  Unique         2.14, 2.49 A)
 &rst
  ixpk= 209, nxpk= 12, iat=1054,1074, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   48 ALA  HA           48 ALA  HN          4.50    (#    210:12  Unique         2.85, 2.85 A)
 &rst
  ixpk= 210, nxpk= 12, iat= 744, 742, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  12-2:211     48 ALA  HN          4.50    (#    211:12  Single Ambig)
 &rst
  ixpk= 211, nxpk= 12, iat=  -1, 742, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 696, 715,
 &end
#
#   29 GLU  HA           29 GLU  HN          4.50    (#    212:12  Unique         2.76, 2.80 A)
 &rst
  ixpk= 212, nxpk= 12, iat= 448, 446, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   47 ILE  HA           48 ALA  HN          5.50    (#    213:12  Unique         3.50, 3.50 A)
 &rst
  ixpk= 213, nxpk= 12, iat= 725, 742, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   30 GLN  HG-          29 GLU  HN          4.50    (#    214:12  Unique         3.82, 4.85 A)
 &rst
  ixpk= 214, nxpk= 12, iat=  -1, 446, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 468, 469,
 &end
#
#   29 GLU  HB-          29 GLU  HN          4.50    (#    218:12  Unique         2.09, 2.95 A)
 &rst
  ixpk= 218, nxpk= 12, iat=  -1, 446, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 450, 451,
 &end
#
#   50 LEU  HG           50 LEU  HN          4.50    (#    219:12  Unique         3.18, 3.26 A)
 &rst
  ixpk= 219, nxpk= 12, iat= 781, 774, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   47 ILE  HB           48 ALA  HN          4.50    (#    220:12  Unique         3.89, 3.93 A)
 &rst
  ixpk= 220, nxpk= 12, iat= 727, 742, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   48 ALA  MB           48 ALA  HN          3.50    (#    222:12  Unique         2.21, 2.89 A)
 &rst
  ixpk= 222, nxpk= 12, iat=  -1, 742, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 746, 747, 748,
 &end
#
#   47 ILE  MG2          48 ALA  HN          4.50    (#    225:12  Unique         4.40, 4.73 A)
 &rst
  ixpk= 225, nxpk= 12, iat=  -1, 742, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 729, 730, 731,
 &end
#
#    0 AMB  12-2:227     19 ASP  HN          4.50    (#    227:12  Single Ambig)
 &rst
  ixpk= 227, nxpk= 12, iat=  -1, 284, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 296, 265,
 &end
#
#   19 ASP  HA           19 ASP  HN          4.50    (#    231:12  Unique         2.83, 2.84 A)
 &rst
  ixpk= 231, nxpk= 12, iat= 286, 284, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   16 GLU  HA           19 ASP  HN          4.50    (#    232:12  Unique         3.52, 3.53 A)
 &rst
  ixpk= 232, nxpk= 12, iat= 242, 284, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  12-2:233     50 LEU  HN          4.50    (#    233:12  Single Ambig)
 &rst
  ixpk= 233, nxpk= 12, iat=  -1, 774, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 776, 754, 744,
 &end
#
#   47 ILE  HA           50 LEU  HN          4.50    (#    234:12  Unique         3.51, 3.52 A)
 &rst
  ixpk= 234, nxpk= 12, iat= 725, 774, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   19 ASP  HB-          19 ASP  HN          4.50    (#    236:12  Unique         2.21, 2.60 A)
 &rst
  ixpk= 236, nxpk= 12, iat=  -1, 284, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 288, 289,
 &end
#
#   18 ILE  HB           19 ASP  HN          4.50    (#    237:12  Unique         2.62, 2.68 A)
 &rst
  ixpk= 237, nxpk= 12, iat= 269, 284, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  12-2:238     50 LEU  HN          3.50    (#    238:12  Single Ambig)
 &rst
  ixpk= 238, nxpk= 12, iat=  -1, 774, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 778, 779, 756, 757,
 &end
#
#   50 LEU  HB-          50 LEU  HN          4.50    (#    240:12  Unique         2.15, 2.82 A)
 &rst
  ixpk= 240, nxpk= 12, iat=  -1, 774, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 778, 779,
 &end
#
#   18 ILE  MG2          19 ASP  HN          4.50    (#    241:12  Unique         3.91, 4.37 A)
 &rst
  ixpk= 241, nxpk= 12, iat=  -1, 284, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 271, 272, 273,
 &end
#
#   50 LEU  MDY          50 LEU  HN          4.50    (#    242:12  Unique         3.22, 4.61 A)
 &rst
  ixpk= 242, nxpk= 12, iat=  -1, 774, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 783, 784, 785, 787, 788, 789,
 &end
#
#   50 LEU  MDX          50 LEU  HN          4.50    (#    243:12  Unique         3.22, 4.61 A)
 &rst
  ixpk= 243, nxpk= 12, iat=  -1, 774, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 783, 784, 785, 787, 788, 789,
 &end
#
#   13 GLU  HN           14 VAL  HN          4.50    (#    244:12  Unique         2.73, 2.85 A)
 &rst
  ixpk= 244, nxpk= 12, iat= 197, 212, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   11 HIS  HA           14 VAL  HN          5.50    (#    246:12  Unique         3.31, 3.49 A)
 &rst
  ixpk= 246, nxpk= 12, iat= 158, 212, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   13 GLU  HA           14 VAL  HN          4.50    (#    247:12  Unique         3.55, 3.56 A)
 &rst
  ixpk= 247, nxpk= 12, iat= 199, 212, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   14 VAL  HA           14 VAL  HN          4.50    (#    248:12  Unique         2.76, 2.78 A)
 &rst
  ixpk= 248, nxpk= 12, iat= 214, 212, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   18 ILE  HA           19 ASP  HN          5.50    (#    249:12  Unique         3.52, 3.53 A)
 &rst
  ixpk= 249, nxpk= 12, iat= 267, 284, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   13 GLU  HG+          14 VAL  HN          5.50    (#    250:12  Unique         3.90, 4.72 A)
 &rst
  ixpk= 250, nxpk= 12, iat=  -1, 212, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 204, 205,
 &end
#
#    0 AMB  12-2:251     14 VAL  HN          3.50    (#    251:12  Single Ambig)
 &rst
  ixpk= 251, nxpk= 12, iat=  -1, 212, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 201, 202, 216,
 &end
#
#    0 AMB  12-2:252     14 VAL  HN          3.50    (#    252:12  Single Ambig)
 &rst
  ixpk= 252, nxpk= 12, iat=  -1, 212, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 218, 219, 220, 222, 223, 224, 218, 219, 220, 222,
       223, 224,
 &end
#
#    0 AMB  12-2:254     53 LYS  HN          4.50    (#    254:12  Single Ambig)
 &rst
  ixpk= 254, nxpk= 12, iat=  -1, 823, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 825, 814,
 &end
#
#    0 AMB  12-2:255     53 LYS  HN          4.50    (#    255:12  Single Ambig)
 &rst
  ixpk= 255, nxpk= 12, iat=  -1, 823, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 816, 817, 776,
 &end
#
#   53 LYS  HB-          53 LYS  HN          4.50    (#    256:12  Unique         2.20, 3.21 A)
 &rst
  ixpk= 256, nxpk= 12, iat=  -1, 823, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 827, 828,
 &end
#
#   53 LYS  HG+          53 LYS  HN          4.50    (#    257:12  Unique         1.94, 2.84 A)
 &rst
  ixpk= 257, nxpk= 12, iat=  -1, 823, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 830, 831,
 &end
#
#   54 GLN  HN           53 LYS  HN          5.60    (#    258:12  Unique         2.56, 2.93 A)
 &rst
  ixpk= 258, nxpk= 12, iat= 845, 823, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,  &end
#
#   52 SER  HN           53 LYS  HN          4.50    (#    259:12  Unique         2.68, 2.82 A)
 &rst
  ixpk= 259, nxpk= 12, iat= 812, 823, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   53 LYS  HN           53 LYS  HN          2.80    (#    260:12  Unique         0.00, 0.00 A)
#This appears to be self-referential: ignoring
#
#   79 MET  HA           80 LEU  HN          4.50    (#    262:12  Unique         2.14, 2.40 A)
 &rst
  ixpk= 262, nxpk= 12, iat=1163,1178, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   80 LEU  HA           80 LEU  HN          4.50    (#    263:12  Unique         2.27, 2.84 A)
 &rst
  ixpk= 263, nxpk= 12, iat=1180,1178, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   80 LEU  HG           80 LEU  HN          4.50    (#    264:12  Unique         2.17, 3.59 A)
 &rst
  ixpk= 264, nxpk= 12, iat=1185,1178, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   80 LEU  HB+          80 LEU  HN          4.50    (#    265:12  Unique         2.25, 3.24 A)
 &rst
  ixpk= 265, nxpk= 12, iat=  -1,1178, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1182,1183,
 &end
#
#   92 LEU  HN           91 ARG  HN          4.50    (#    267:12  Unique         2.66, 2.67 A)
 &rst
  ixpk= 267, nxpk= 12, iat=1374,1350, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   90 ASN  HN           91 ARG  HN          4.50    (#    268:12  Unique         2.90, 2.92 A)
 &rst
  ixpk= 268, nxpk= 12, iat=1336,1350, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   38 SER  HN           37 GLU  HN          4.50    (#    269:12  Unique         2.60, 2.65 A)
 &rst
  ixpk= 269, nxpk= 12, iat= 591, 576, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   91 ARG  HA           91 ARG  HN          3.50    (#    271:12  Unique         2.79, 2.80 A)
 &rst
  ixpk= 271, nxpk= 12, iat=1352,1350, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   88 ILE  HA           91 ARG  HN          4.50    (#    272:12  Unique         3.87, 3.95 A)
 &rst
  ixpk= 272, nxpk= 12, iat=1300,1350, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   90 ASN  HB+          91 ARG  HN          4.50    (#    273:12  Unique         2.24, 2.85 A)
 &rst
  ixpk= 273, nxpk= 12, iat=  -1,1350, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1340,1341,
 &end
#
#   91 ARG  HB+          91 ARG  HN          3.50    (#    274:12  Unique         2.13, 2.56 A)
 &rst
  ixpk= 274, nxpk= 12, iat=  -1,1350, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1354,1355,
 &end
#
#   36 MET  HN           37 GLU  HN          4.50    (#    276:12  Unique         2.49, 2.52 A)
 &rst
  ixpk= 276, nxpk= 12, iat= 559, 576, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   37 GLU  HA           37 GLU  HN          4.50    (#    277:12  Unique         2.77, 2.80 A)
 &rst
  ixpk= 277, nxpk= 12, iat= 578, 576, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  12-2:278     37 GLU  HN          4.50    (#    278:12  Single Ambig)
 &rst
  ixpk= 278, nxpk= 12, iat=  -1, 576, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 536, 561,
 &end
#
#   33 LEU  HA           37 GLU  HN          5.60    (#    279:12  Unique         3.94, 4.03 A)
 &rst
  ixpk= 279, nxpk= 12, iat= 517, 576, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,  &end
#
#    0 AMB  12-2:280     37 GLU  HN          4.50    (#    280:12  Single Ambig)
 &rst
  ixpk= 280, nxpk= 12, iat=  -1, 576, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 563, 564, 583, 584,
 &end
#
#   37 GLU  HB+          37 GLU  HN          3.50    (#    282:12  Unique         2.21, 2.54 A)
 &rst
  ixpk= 282, nxpk= 12, iat=  -1, 576, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 580, 581,
 &end
#
#    0 AMB  12-2:283     37 GLU  HN          4.50    (#    283:12  Single Ambig)
 &rst
  ixpk= 283, nxpk= 12, iat=  -1, 576, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 563, 564, 566, 567,
 &end
#
#   89 LEU  MDX          37 GLU  HN          4.50    (#    284:12  Unique         2.96, 4.95 A)
 &rst
  ixpk= 284, nxpk= 12, iat=  -1, 576, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1326,1327,1328,1330,1331,1332,
 &end
#
#   96 VAL  HN           95 ARG  HN          4.50    (#    289:12  Unique         2.77, 2.82 A)
 &rst
  ixpk= 289, nxpk= 12, iat=1456,1432, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   17 ALA  HN           16 GLU  HN          4.50    (#    290:12  Unique         2.86, 2.89 A)
 &rst
  ixpk= 290, nxpk= 12, iat= 255, 240, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   94 GLU  HN           95 ARG  HN          4.50    (#    292:12  Unique         2.60, 2.68 A)
 &rst
  ixpk= 292, nxpk= 12, iat=1417,1432, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   81 TYR  HA           82 ASP  HN          4.50    (#    295:12  Unique         2.14, 2.50 A)
 &rst
  ixpk= 295, nxpk= 12, iat=1199,1218, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   91 ARG  HA           95 ARG  HN          5.60    (#    297:12  Unique         3.62, 3.77 A)
 &rst
  ixpk= 297, nxpk= 12, iat=1352,1432, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,  &end
#
#    0 AMB  12-2:298     16 GLU  HN          3.50    (#    298:12  Single Ambig)
 &rst
  ixpk= 298, nxpk= 12, iat=  -1, 240, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 242, 199,
 &end
#
#   95 ARG  HA           95 ARG  HN          4.50    (#    299:12  Unique         2.77, 2.82 A)
 &rst
  ixpk= 299, nxpk= 12, iat=1434,1432, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   95 ARG  HD+          95 ARG  HN          5.50    (#    300:12  Unique         3.89, 4.83 A)
 &rst
  ixpk= 300, nxpk= 12, iat=  -1,1432, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1442,1443,
 &end
#
#   95 ARG  HD-          95 ARG  HN          5.50    (#    303:12  Unique         3.89, 4.83 A)
 &rst
  ixpk= 303, nxpk= 12, iat=  -1,1432, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1442,1443,
 &end
#
#   82 ASP  HB-          82 ASP  HN          4.50    (#    304:12  Unique         2.17, 3.25 A)
 &rst
  ixpk= 304, nxpk= 12, iat=  -1,1218, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1222,1223,
 &end
#
#   15 ASP  HB-          16 GLU  HN          4.50    (#    305:12  Unique         2.73, 3.31 A)
 &rst
  ixpk= 305, nxpk= 12, iat=  -1, 240, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 232, 233,
 &end
#
#    0 AMB  12-2:308     95 ARG  HN          4.50    (#    308:12  Single Ambig)
 &rst
  ixpk= 308, nxpk= 12, iat=  -1,1432, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1424,1425,1436,1437,
 &end
#
#   16 GLU  HB+          16 GLU  HN          3.50    (#    309:12  Unique         2.48, 2.53 A)
 &rst
  ixpk= 309, nxpk= 12, iat=  -1, 240, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 244, 245,
 &end
#
#   94 GLU  HB-          95 ARG  HN          4.50    (#    310:12  Unique         2.38, 3.25 A)
 &rst
  ixpk= 310, nxpk= 12, iat=  -1,1432, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1421,1422,
 &end
#
#   88 ILE  HB           88 ILE  HN          3.50    (#    311:12  Unique         2.53, 2.55 A)
 &rst
  ixpk= 311, nxpk= 12, iat=1302,1298, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  12-2:312     95 ARG  HN          3.50    (#    312:12  Single Ambig)
 &rst
  ixpk= 312, nxpk= 12, iat=  -1,1432, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1436,1437,1439,1440,
 &end
#
#   88 ILE  MD1          88 ILE  HN          4.50    (#    316:12  Unique         3.18, 3.98 A)
 &rst
  ixpk= 316, nxpk= 12, iat=  -1,1298, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1311,1312,1313,
 &end
#
#   16 GLU  HG+          16 GLU  HN          4.50    (#    317:12  Unique         4.43, 4.45 A)
 &rst
  ixpk= 317, nxpk= 12, iat=  -1, 240, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 247, 248,
 &end
#
#   48 ALA  HN           49 LYS  HN          4.50    (#    319:12  Unique         2.53, 2.54 A)
 &rst
  ixpk= 319, nxpk= 12, iat= 742, 752, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  12-2:321      0 AMB  12-1:321    3.50    (#    321:12  Double Ambig)
 &rst
  ixpk= 321, nxpk= 12, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 754, 744,1283,
 igr2= 752,1298,
 &end
#
#    0 AMB  12-2:322     49 LYS  HN          4.50    (#    322:12  Single Ambig)
 &rst
  ixpk= 322, nxpk= 12, iat=  -1, 752, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 715, 696,
 &end
#
#   49 LYS  HB+          49 LYS  HN          3.50    (#    323:12  Unique         2.08, 2.70 A)
 &rst
  ixpk= 323, nxpk= 12, iat=  -1, 752, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 756, 757,
 &end
#
#    0 AMB  12-2:324     49 LYS  HN          3.50    (#    324:12  Single Ambig)
 &rst
  ixpk= 324, nxpk= 12, iat=  -1, 752, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1= 746, 747, 748, 759, 760,
 &end
#
#   95 ARG  HN           94 GLU  HN          4.50    (#    326:12  Unique         2.60, 2.68 A)
 &rst
  ixpk= 326, nxpk= 12, iat=1432,1417, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   96 VAL  HN           94 GLU  HN          5.60    (#    327:12  Unique         4.46, 4.55 A)
 &rst
  ixpk= 327, nxpk= 12, iat=1456,1417, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,  &end
#
#   93 ARG  HN           94 GLU  HN          4.50    (#    328:12  Unique         2.67, 2.68 A)
 &rst
  ixpk= 328, nxpk= 12, iat=1393,1417, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  12-2:329     24 TYR  HN          3.50    (#    329:12  Single Ambig)
 &rst
  ixpk= 329, nxpk= 12, iat=  -1, 372, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 348, 393,
 &end
#
#   53 LYS  HN           54 GLN  HN          5.50    (#    330:12  Unique         2.56, 2.93 A)
 &rst
  ixpk= 330, nxpk= 12, iat= 823, 845, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   52 SER  HA           54 GLN  HN          4.50    (#    334:12  Unique         3.50, 4.13 A)
 &rst
  ixpk= 334, nxpk= 12, iat= 814, 845, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   24 TYR  HA           24 TYR  HN          3.50    (#    335:12  Unique         2.76, 2.76 A)
 &rst
  ixpk= 335, nxpk= 12, iat= 374, 372, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   91 ARG  HA           94 GLU  HN          4.50    (#    336:12  Unique         3.60, 3.63 A)
 &rst
  ixpk= 336, nxpk= 12, iat=1352,1417, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   23 ARG  HA           24 TYR  HN          4.50    (#    337:12  Unique         3.50, 3.50 A)
 &rst
  ixpk= 337, nxpk= 12, iat= 350, 372, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   94 GLU  HA           94 GLU  HN          4.50    (#    338:12  Unique         2.80, 2.81 A)
 &rst
  ixpk= 338, nxpk= 12, iat=1419,1417, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  12-2:339     94 GLU  HN          4.50    (#    339:12  Single Ambig)
 &rst
  ixpk= 339, nxpk= 12, iat=  -1,1417, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1395,1376,
 &end
#
#   21 ILE  HA           24 TYR  HN          4.50    (#    340:12  Unique         3.31, 3.38 A)
 &rst
  ixpk= 340, nxpk= 12, iat= 312, 372, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   24 TYR  HB+          24 TYR  HN          4.50    (#    341:12  Unique         2.10, 2.61 A)
 &rst
  ixpk= 341, nxpk= 12, iat=  -1, 372, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 376, 377,
 &end
#
#   24 TYR  HB-          24 TYR  HN          4.50    (#    342:12  Unique         2.10, 2.61 A)
 &rst
  ixpk= 342, nxpk= 12, iat=  -1, 372, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 376, 377,
 &end
#
#   54 GLN  HG+          54 GLN  HN          4.50    (#    344:12  Unique         2.03, 4.00 A)
 &rst
  ixpk= 344, nxpk= 12, iat=  -1, 845, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 852, 853,
 &end
#
#   94 GLU  HG-          94 GLU  HN          4.50    (#    345:12  Unique         2.13, 2.38 A)
 &rst
  ixpk= 345, nxpk= 12, iat=  -1,1417, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1424,1425,
 &end
#
#   54 GLN  HB-          54 GLN  HN          4.50    (#    346:12  Unique         2.07, 3.17 A)
 &rst
  ixpk= 346, nxpk= 12, iat=  -1, 845, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 849, 850,
 &end
#
#   94 GLU  HB-          94 GLU  HN          4.50    (#    347:12  Unique         2.69, 3.14 A)
 &rst
  ixpk= 347, nxpk= 12, iat=  -1,1417, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1421,1422,
 &end
#
#    0 AMB  12-2:348     24 TYR  HN          4.50    (#    348:12  Single Ambig)
 &rst
  ixpk= 348, nxpk= 12, iat=  -1, 372, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 352, 353, 352, 353,
 &end
#
#    0 AMB  12-2:349     94 GLU  HN          4.50    (#    349:12  Single Ambig)
 &rst
  ixpk= 349, nxpk= 12, iat=  -1,1417, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1397,1398,1400,1401,
 &end
#
#   93 ARG  HG-          94 GLU  HN          5.50    (#    350:12  Unique         4.41, 4.83 A)
 &rst
  ixpk= 350, nxpk= 12, iat=  -1,1417, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1400,1401,
 &end
#
#   79 MET  HA           79 MET  HN          4.50    (#    358:12  Unique         2.27, 2.83 A)
 &rst
  ixpk= 358, nxpk= 12, iat=1163,1161, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   78 GLY  HA-          79 MET  HN          4.50    (#    360:12  Unique         2.14, 2.68 A)
 &rst
  ixpk= 360, nxpk= 12, iat=  -1,1161, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1156,1157,
 &end
#
#   41 GLY  HN           42 ARG  HN          4.50    (#    366:12  Unique         2.08, 2.57 A)
 &rst
  ixpk= 366, nxpk= 12, iat= 623, 630, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   42 ARG  HN           42 ARG  HN          2.80    (#    367:12  Unique         0.00, 0.00 A)
#This appears to be self-referential: ignoring
#
#   42 ARG  HA           42 ARG  HN          4.50    (#    371:12  Unique         2.78, 2.81 A)
 &rst
  ixpk= 371, nxpk= 12, iat= 632, 630, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  12-2:372     42 ARG  HN          4.50    (#    372:12  Single Ambig)
 &rst
  ixpk= 372, nxpk= 12, iat=  -1, 630, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 625, 626, 618, 619, 561,
 &end
#
#    0 AMB  12-2:374     42 ARG  HN          4.50    (#    374:12  Single Ambig)
 &rst
  ixpk= 374, nxpk= 12, iat=  -1, 630, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 625, 626, 640, 641,
 &end
#
#    0 AMB  12-2:376     42 ARG  HN          4.50    (#    376:12  Single Ambig)
 &rst
  ixpk= 376, nxpk= 12, iat=  -1, 630, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 634, 635, 698,
 &end
#
#    0 AMB  12-2:380     20 ASN  HN          4.50    (#    380:12  Single Ambig)
 &rst
  ixpk= 380, nxpk= 12, iat=  -1, 296, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 284, 329,
 &end
#
#   28 THR  HN           31 GLN  HN          5.50    (#    382:12  Unique         3.26, 3.42 A)
 &rst
  ixpk= 382, nxpk= 12, iat= 432, 478, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   21 ILE  HN           20 ASN  HN          4.50    (#    383:12  Unique         2.68, 2.74 A)
 &rst
  ixpk= 383, nxpk= 12, iat= 310, 296, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   20 ASN  HA           20 ASN  HN          4.50    (#    384:12  Unique         2.81, 2.82 A)
 &rst
  ixpk= 384, nxpk= 12, iat= 298, 296, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   31 GLN  HA           31 GLN  HN          4.50    (#    385:12  Unique         2.78, 2.78 A)
 &rst
  ixpk= 385, nxpk= 12, iat= 480, 478, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   30 GLN  HA           31 GLN  HN          4.50    (#    386:12  Unique         3.54, 3.55 A)
 &rst
  ixpk= 386, nxpk= 12, iat= 463, 478, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   20 ASN  HB+          20 ASN  HN          4.50    (#    387:12  Unique         2.12, 2.57 A)
 &rst
  ixpk= 387, nxpk= 12, iat=  -1, 296, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 300, 301,
 &end
#
#   20 ASN  HB-          20 ASN  HN          4.50    (#    388:12  Unique         2.12, 2.57 A)
 &rst
  ixpk= 388, nxpk= 12, iat=  -1, 296, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 300, 301,
 &end
#
#   19 ASP  HB-          20 ASN  HN          4.50    (#    389:12  Unique         2.61, 3.31 A)
 &rst
  ixpk= 389, nxpk= 12, iat=  -1, 296, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 288, 289,
 &end
#
#    0 AMB  12-2:390     31 GLN  HN          3.50    (#    390:12  Single Ambig)
 &rst
  ixpk= 390, nxpk= 12, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 485, 486, 468, 469,
 &end
#
#   31 GLN  HB-          31 GLN  HN          4.50    (#    392:12  Unique         2.46, 3.09 A)
 &rst
  ixpk= 392, nxpk= 12, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 482, 483,
 &end
#
#   33 LEU  HN           34 GLU  HN          4.50    (#    395:12  Unique         2.86, 2.88 A)
 &rst
  ixpk= 395, nxpk= 12, iat= 515, 534, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   36 MET  HN           34 GLU  HN          5.60    (#    396:12  Unique         4.35, 4.40 A)
 &rst
  ixpk= 396, nxpk= 12, iat= 559, 534, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,  &end
#
#   34 GLU  HA           34 GLU  HN          3.50    (#    398:12  Unique         2.85, 2.85 A)
 &rst
  ixpk= 398, nxpk= 12, iat= 536, 534, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   33 LEU  HA           34 GLU  HN          5.50    (#    399:12  Unique         3.56, 3.56 A)
 &rst
  ixpk= 399, nxpk= 12, iat= 517, 534, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   34 GLU  HB+          34 GLU  HN          3.50    (#    402:12  Unique         2.08, 2.71 A)
 &rst
  ixpk= 402, nxpk= 12, iat=  -1, 534, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 538, 539,
 &end
#
#   33 LEU  HG           34 GLU  HN          5.50    (#    404:12  Unique         4.99, 4.99 A)
 &rst
  ixpk= 404, nxpk= 12, iat= 522, 534, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   33 LEU  HB-          34 GLU  HN          4.50    (#    405:12  Unique         2.39, 2.92 A)
 &rst
  ixpk= 405, nxpk= 12, iat=  -1, 534, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 519, 520,
 &end
#
#   33 LEU  MDX          34 GLU  HN          4.50    (#    406:12  Unique         3.74, 4.98 A)
 &rst
  ixpk= 406, nxpk= 12, iat=  -1, 534, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 524, 525, 526, 528, 529, 530,
 &end
#
#   52 SER  HN           51 LEU  HN          3.50    (#    407:12  Unique         2.36, 2.43 A)
 &rst
  ixpk= 407, nxpk= 12, iat= 812, 793, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   31 GLN  HN           34 GLU  HN          5.50    (#    408:12  Unique         4.85, 4.89 A)
 &rst
  ixpk= 408, nxpk= 12, iat= 478, 534, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   49 LYS  HA           51 LEU  HN          4.50    (#    409:12  Unique         4.50, 4.51 A)
 &rst
  ixpk= 409, nxpk= 12, iat= 754, 793, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   50 LEU  HB+          51 LEU  HN          4.50    (#    410:12  Unique         2.81, 3.07 A)
 &rst
  ixpk= 410, nxpk= 12, iat=  -1, 793, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 778, 779,
 &end
#
#   51 LEU  HB+          51 LEU  HN          4.50    (#    411:12  Unique         2.31, 2.95 A)
 &rst
  ixpk= 411, nxpk= 12, iat=  -1, 793, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 797, 798,
 &end
#
#   51 LEU  HG           51 LEU  HN          4.50    (#    412:12  Unique         2.64, 2.65 A)
 &rst
  ixpk= 412, nxpk= 12, iat= 800, 793, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   51 LEU  HB-          51 LEU  HN          4.50    (#    413:12  Unique         2.31, 2.95 A)
 &rst
  ixpk= 413, nxpk= 12, iat=  -1, 793, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 797, 798,
 &end
#
#   50 LEU  HB-          51 LEU  HN          5.50    (#    414:12  Unique         2.81, 3.07 A)
 &rst
  ixpk= 414, nxpk= 12, iat=  -1, 793, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 778, 779,
 &end
#
#   25 THR  MG2          51 LEU  HN          5.50    (#    415:12  Unique         3.74, 4.23 A)
 &rst
  ixpk= 415, nxpk= 12, iat=  -1, 793, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 399, 400, 401,
 &end
#
#   51 LEU  MDY          51 LEU  HN          4.50    (#    416:12  Unique         3.74, 4.56 A)
 &rst
  ixpk= 416, nxpk= 12, iat=  -1, 793, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 802, 803, 804, 806, 807, 808,
 &end
#
#    0 AMB  12-2:418     87 GLN  HN          3.50    (#    418:12  Single Ambig)
 &rst
  ixpk= 418, nxpk= 12, iat=  -1,1281, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1285,1286,1268,1269,
 &end
#
#   51 LEU  MDX          51 LEU  HN          4.50    (#    419:12  Unique         3.74, 4.56 A)
 &rst
  ixpk= 419, nxpk= 12, iat=  -1, 793, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 802, 803, 804, 806, 807, 808,
 &end
#
#   44 ARG  HN           44 ARG  HN          3.50    (#    420:12  Unique         0.00, 0.00 A)
#This appears to be self-referential: ignoring
#
#   37 GLU  HN           36 MET  HN          4.50    (#    421:12  Unique         2.49, 2.52 A)
 &rst
  ixpk= 421, nxpk= 12, iat= 576, 559, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  12-2:422     44 ARG  HN          5.50    (#    422:12  Single Ambig)
 &rst
  ixpk= 422, nxpk= 12, iat=  -1, 670, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 654, 723,
 &end
#
#   86 GLN  HN           87 GLN  HN          4.50    (#    423:12  Unique         2.70, 2.80 A)
 &rst
  ixpk= 423, nxpk= 12, iat=1264,1281, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   35 ALA  HN           36 MET  HN          4.50    (#    424:12  Unique         2.83, 2.84 A)
 &rst
  ixpk= 424, nxpk= 12, iat= 549, 559, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   45 ILE  HN           44 ARG  HN          4.50    (#    426:12  Unique         2.78, 2.79 A)
 &rst
  ixpk= 426, nxpk= 12, iat= 694, 670, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   42 ARG  HA           44 ARG  HN          5.60    (#    429:12  Unique         3.58, 3.63 A)
 &rst
  ixpk= 429, nxpk= 12, iat= 632, 670, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,  &end
#
#   87 GLN  HA           87 GLN  HN          4.50    (#    431:12  Unique         2.77, 2.79 A)
 &rst
  ixpk= 431, nxpk= 12, iat=1283,1281, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  12-2:432     36 MET  HN          4.50    (#    432:12  Single Ambig)
 &rst
  ixpk= 432, nxpk= 12, iat=  -1, 559, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 561, 536,
 &end
#
#    0 AMB  12-2:433     44 ARG  HN          4.50    (#    433:12  Single Ambig)
 &rst
  ixpk= 433, nxpk= 12, iat=  -1, 670, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 672, 656,
 &end
#
#   33 LEU  HA           36 MET  HN          5.50    (#    434:12  Unique         3.95, 3.98 A)
 &rst
  ixpk= 434, nxpk= 12, iat= 517, 559, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   36 MET  HB+          36 MET  HN          4.50    (#    436:12  Unique         2.47, 3.06 A)
 &rst
  ixpk= 436, nxpk= 12, iat=  -1, 559, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 563, 564,
 &end
#
#   43 VAL  HB           44 ARG  HN          4.50    (#    437:12  Unique         2.53, 3.88 A)
 &rst
  ixpk= 437, nxpk= 12, iat= 658, 670, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   36 MET  HG+          36 MET  HN          4.50    (#    438:12  Unique         2.15, 2.94 A)
 &rst
  ixpk= 438, nxpk= 12, iat=  -1, 559, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 566, 567,
 &end
#
#   44 ARG  HB+          44 ARG  HN          4.50    (#    439:12  Unique         2.57, 3.10 A)
 &rst
  ixpk= 439, nxpk= 12, iat=  -1, 670, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 674, 675,
 &end
#
#   44 ARG  HB-          44 ARG  HN          3.50    (#    440:12  Unique         2.57, 3.10 A)
 &rst
  ixpk= 440, nxpk= 12, iat=  -1, 670, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 674, 675,
 &end
#
#   44 ARG  HG+          44 ARG  HN          5.50    (#    442:12  Unique         1.93, 2.69 A)
 &rst
  ixpk= 442, nxpk= 12, iat=  -1, 670, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 677, 678,
 &end
#
#   43 VAL  MGX          44 ARG  HN          5.50    (#    444:12  Unique         1.97, 3.84 A)
 &rst
  ixpk= 444, nxpk= 12, iat=  -1, 670, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 660, 661, 662, 664, 665, 666,
 &end
#
#   43 VAL  MGY          44 ARG  HN          4.50    (#    445:12  Unique         1.97, 3.84 A)
 &rst
  ixpk= 445, nxpk= 12, iat=  -1, 670, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 660, 661, 662, 664, 665, 666,
 &end
#
#   44 ARG  HN           45 ILE  HN          4.50    (#    448:12  Unique         2.78, 2.79 A)
 &rst
  ixpk= 448, nxpk= 12, iat= 670, 694, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  12-2:449     45 ILE  HN          5.60    (#    449:12  Single Ambig)
 &rst
  ixpk= 449, nxpk= 12, iat=  -1, 694, r1= 0.00, r2= 1.80, r3= 6.29, r4= 7.04,
 igr1= 654, 723,
 &end
#
#   46 ALA  HN           45 ILE  HN          4.50    (#    450:12  Unique         2.57, 2.61 A)
 &rst
  ixpk= 450, nxpk= 12, iat= 713, 694, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  12-2:451     45 ILE  HN          5.50    (#    451:12  Single Ambig)
 &rst
  ixpk= 451, nxpk= 12, iat=  -1, 694, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 606, 632,
 &end
#
#    0 AMB  12-2:452     45 ILE  HN          4.50    (#    452:12  Single Ambig)
 &rst
  ixpk= 452, nxpk= 12, iat=  -1, 694, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 696, 656,
 &end
#
#   45 ILE  HB           45 ILE  HN          4.50    (#    453:12  Unique         2.62, 2.63 A)
 &rst
  ixpk= 453, nxpk= 12, iat= 698, 694, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   44 ARG  HG+          45 ILE  HN          4.50    (#    455:12  Unique         2.00, 2.23 A)
 &rst
  ixpk= 455, nxpk= 12, iat=  -1, 694, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 677, 678,
 &end
#
#   45 ILE  HG1-         45 ILE  HN          4.50    (#    456:12  Unique         1.94, 2.58 A)
 &rst
  ixpk= 456, nxpk= 12, iat=  -1, 694, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 704, 705,
 &end
#
#   45 ILE  MG2          45 ILE  HN          4.50    (#    457:12  Unique         4.42, 4.53 A)
 &rst
  ixpk= 457, nxpk= 12, iat=  -1, 694, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 700, 701, 702,
 &end
#
#   45 ILE  MD1          45 ILE  HN          5.50    (#    458:12  Unique         3.92, 4.29 A)
 &rst
  ixpk= 458, nxpk= 12, iat=  -1, 694, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 707, 708, 709,
 &end
#
#  102 GLN  HA          103 SER  HN          4.50    (#    460:12  Unique         2.20, 2.56 A)
 &rst
  ixpk= 460, nxpk= 12, iat=1527,1542, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   29 GLU  HN           30 GLN  HN          4.50    (#    461:12  Unique         2.69, 2.78 A)
 &rst
  ixpk= 461, nxpk= 12, iat= 446, 461, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   31 GLN  HN           30 GLN  HN          4.50    (#    462:12  Unique         2.69, 2.75 A)
 &rst
  ixpk= 462, nxpk= 12, iat= 478, 461, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   28 THR  HA           30 GLN  HN          5.60    (#    465:12  Unique         4.57, 4.79 A)
 &rst
  ixpk= 465, nxpk= 12, iat= 434, 461, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,  &end
#
#   30 GLN  HA           30 GLN  HN          4.50    (#    466:12  Unique         2.79, 2.80 A)
 &rst
  ixpk= 466, nxpk= 12, iat= 463, 461, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   30 GLN  HG-          30 GLN  HN          4.50    (#    467:12  Unique         1.97, 2.51 A)
 &rst
  ixpk= 467, nxpk= 12, iat=  -1, 461, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 468, 469,
 &end
#
#   30 GLN  HB-          30 GLN  HN          3.50    (#    469:12  Unique         2.45, 3.13 A)
 &rst
  ixpk= 469, nxpk= 12, iat=  -1, 461, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 465, 466,
 &end
#
#   28 THR  MG2          30 GLN  HN          5.50    (#    470:12  Unique         1.95, 4.94 A)
 &rst
  ixpk= 470, nxpk= 12, iat=  -1, 461, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 438, 439, 440,
 &end
#
#   19 ASP  HN           18 ILE  HN          4.50    (#    472:12  Unique         2.65, 2.67 A)
 &rst
  ixpk= 472, nxpk= 12, iat= 284, 265, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   15 ASP  HA           18 ILE  HN          4.50    (#    473:12  Unique         3.83, 3.85 A)
 &rst
  ixpk= 473, nxpk= 12, iat= 230, 265, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   17 ALA  HA           18 ILE  HN          5.50    (#    474:12  Unique         3.55, 3.56 A)
 &rst
  ixpk= 474, nxpk= 12, iat= 257, 265, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   18 ILE  HA           18 ILE  HN          4.50    (#    475:12  Unique         2.80, 2.81 A)
 &rst
  ixpk= 475, nxpk= 12, iat= 267, 265, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   95 ARG  HN           96 VAL  HN          4.50    (#    476:12  Unique         2.77, 2.82 A)
 &rst
  ixpk= 476, nxpk= 12, iat=1432,1456, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  12-2:477     96 VAL  HN          4.50    (#    477:12  Single Ambig)
 &rst
  ixpk= 477, nxpk= 12, iat=  -1,1456, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1472,1483,
 &end
#
#   17 ALA  HN           18 ILE  HN          4.50    (#    478:12  Unique         2.87, 2.89 A)
 &rst
  ixpk= 478, nxpk= 12, iat= 255, 265, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  12-2:479     96 VAL  HN          3.50    (#    479:12  Single Ambig)
 &rst
  ixpk= 479, nxpk= 12, iat=  -1,1456, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1458,1376,
 &end
#
#   95 ARG  HB+          96 VAL  HN          4.50    (#    480:12  Unique         2.17, 2.92 A)
 &rst
  ixpk= 480, nxpk= 12, iat=  -1,1456, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1436,1437,
 &end
#
#   18 ILE  HB           18 ILE  HN          3.50    (#    481:12  Unique         2.52, 2.53 A)
 &rst
  ixpk= 481, nxpk= 12, iat= 269, 265, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   96 VAL  HB           96 VAL  HN          3.50    (#    482:12  Unique         2.52, 2.55 A)
 &rst
  ixpk= 482, nxpk= 12, iat=1460,1456, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  12-2:483     96 VAL  HN          4.50    (#    483:12  Single Ambig)
 &rst
  ixpk= 483, nxpk= 12, iat=  -1,1456, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1436,1437,1439,1440,
 &end
#
#   17 ALA  MB           18 ILE  HN          4.50    (#    484:12  Unique         2.39, 3.30 A)
 &rst
  ixpk= 484, nxpk= 12, iat=  -1, 265, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 259, 260, 261,
 &end
#
#    0 AMB  12-2:485     18 ILE  HN          3.50    (#    485:12  Single Ambig)
 &rst
  ixpk= 485, nxpk= 12, iat=  -1, 265, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 278, 279, 280, 271, 272, 273,
 &end
#
#    0 AMB  12-2:486     96 VAL  HN          3.50    (#    486:12  Single Ambig)
 &rst
  ixpk= 486, nxpk= 12, iat=  -1,1456, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1462,1463,1464,1466,1467,1468,1462,1463,1464,1466,
      1467,1468,
 &end
#
#   22 LEU  HN           23 ARG  HN          4.50    (#    487:12  Unique         2.71, 2.85 A)
 &rst
  ixpk= 487, nxpk= 12, iat= 329, 348, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   24 TYR  HN           23 ARG  HN          4.50    (#    488:12  Unique         2.46, 2.51 A)
 &rst
  ixpk= 488, nxpk= 12, iat= 372, 348, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   19 ASP  HA           23 ARG  HN          5.50    (#    489:12  Unique         3.61, 3.69 A)
 &rst
  ixpk= 489, nxpk= 12, iat= 286, 348, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  12-2:490      0 AMB  12-1:490    3.50    (#    490:12  Double Ambig)
 &rst
  ixpk= 490, nxpk= 12, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1180, 350,
 igr2=1197, 348,
 &end
#
#   22 LEU  HA           23 ARG  HN          5.50    (#    491:12  Unique         3.55, 3.56 A)
 &rst
  ixpk= 491, nxpk= 12, iat= 331, 348, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  12-2:492     23 ARG  HN          3.50    (#    492:12  Single Ambig)
 &rst
  ixpk= 492, nxpk= 12, iat=  -1, 348, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 352, 353, 352, 353,
 &end
#
#   22 LEU  MDX          23 ARG  HN          5.50    (#    494:12  Unique         4.19, 4.94 A)
 &rst
  ixpk= 494, nxpk= 12, iat=  -1, 348, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#   74 LEU  MDX          75 SER  HN          4.50    (#    495:12  Unique         1.95, 4.49 A)
 &rst
  ixpk= 495, nxpk= 12, iat=  -1,1105, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1095,1096,1097,1099,1100,1101,
 &end
#
#   81 TYR  HA           81 TYR  HN          4.50    (#    498:12  Unique         2.27, 2.81 A)
 &rst
  ixpk= 498, nxpk= 12, iat=1199,1197, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   75 SER  HA           75 SER  HN          4.50    (#    499:12  Unique         2.28, 2.77 A)
 &rst
  ixpk= 499, nxpk= 12, iat=1107,1105, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   74 LEU  HA           75 SER  HN          4.50    (#    500:12  Unique         2.14, 2.46 A)
 &rst
  ixpk= 500, nxpk= 12, iat=1088,1105, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   74 LEU  HB+          75 SER  HN          4.50    (#    501:12  Unique         2.21, 3.49 A)
 &rst
  ixpk= 501, nxpk= 12, iat=  -1,1105, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1090,1091,
 &end
#
#   46 ALA  HN           47 ILE  HN          4.50    (#    507:12  Unique         2.69, 2.75 A)
 &rst
  ixpk= 507, nxpk= 12, iat= 713, 723, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  12-2:508     47 ILE  HN          5.60    (#    508:12  Single Ambig)
 &rst
  ixpk= 508, nxpk= 12, iat=  -1, 723, r1= 0.00, r2= 1.80, r3= 6.29, r4= 7.04,
 igr1= 752, 774,
 &end
#
#   48 ALA  HN           47 ILE  HN          4.50    (#    509:12  Unique         2.60, 2.62 A)
 &rst
  ixpk= 509, nxpk= 12, iat= 742, 723, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   45 ILE  HN           47 ILE  HN          5.50    (#    510:12  Unique         4.37, 4.40 A)
 &rst
  ixpk= 510, nxpk= 12, iat= 694, 723, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  12-2:511     47 ILE  HN          4.50    (#    511:12  Single Ambig)
 &rst
  ixpk= 511, nxpk= 12, iat=  -1, 723, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 656, 672, 696,
 &end
#
#   47 ILE  HA           47 ILE  HN          4.50    (#    512:12  Unique         2.81, 2.82 A)
 &rst
  ixpk= 512, nxpk= 12, iat= 725, 723, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   47 ILE  HG1+         47 ILE  HN          4.50    (#    513:12  Unique         2.18, 2.83 A)
 &rst
  ixpk= 513, nxpk= 12, iat=  -1, 723, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 733, 734,
 &end
#
#   47 ILE  HB           47 ILE  HN          4.50    (#    514:12  Unique         3.61, 3.61 A)
 &rst
  ixpk= 514, nxpk= 12, iat= 727, 723, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   46 ALA  MB           47 ILE  HN          4.50    (#    516:12  Unique         2.49, 3.20 A)
 &rst
  ixpk= 516, nxpk= 12, iat=  -1, 723, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 717, 718, 719,
 &end
#
#   47 ILE  MD1          47 ILE  HN          4.50    (#    519:12  Unique         3.96, 4.46 A)
 &rst
  ixpk= 519, nxpk= 12, iat=  -1, 723, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 736, 737, 738,
 &end
#
#   47 ILE  HG1-         47 ILE  HN          4.50    (#    520:12  Unique         2.18, 2.83 A)
 &rst
  ixpk= 520, nxpk= 12, iat=  -1, 723, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 733, 734,
 &end
#
#   93 ARG  HD+          93 ARG  HN          5.50    (#    523:12  Unique         3.37, 4.53 A)
 &rst
  ixpk= 523, nxpk= 12, iat=  -1,1393, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1403,1404,
 &end
#
#   92 LEU  HN           93 ARG  HN          4.50    (#    526:12  Unique         2.56, 2.59 A)
 &rst
  ixpk= 526, nxpk= 12, iat=1374,1393, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   94 GLU  HN           93 ARG  HN          4.50    (#    527:12  Unique         2.67, 2.68 A)
 &rst
  ixpk= 527, nxpk= 12, iat=1417,1393, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   90 ASN  HA           93 ARG  HN          5.50    (#    529:12  Unique         3.45, 3.53 A)
 &rst
  ixpk= 529, nxpk= 12, iat=1338,1393, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  12-2:530     93 ARG  HN          4.50    (#    530:12  Single Ambig)
 &rst
  ixpk= 530, nxpk= 12, iat=  -1,1393, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1395,1376,
 &end
#
#   94 GLU  HG-          93 ARG  HN          4.50    (#    531:12  Unique         3.99, 4.56 A)
 &rst
  ixpk= 531, nxpk= 12, iat=  -1,1393, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1424,1425,
 &end
#
#    0 AMB  12-2:532     93 ARG  HN          3.50    (#    532:12  Single Ambig)
 &rst
  ixpk= 532, nxpk= 12, iat=  -1,1393, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1397,1398,1400,1401,
 &end
#
#   93 ARG  HG-          93 ARG  HN          4.50    (#    533:12  Unique         2.62, 3.84 A)
 &rst
  ixpk= 533, nxpk= 12, iat=  -1,1393, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1400,1401,
 &end
#
#   92 LEU  HB-          93 ARG  HN          4.50    (#    534:12  Unique         2.64, 3.36 A)
 &rst
  ixpk= 534, nxpk= 12, iat=  -1,1393, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1378,1379,
 &end
#
#   92 LEU  HN           90 ASN  HN          5.50    (#    541:12  Unique         3.96, 3.99 A)
 &rst
  ixpk= 541, nxpk= 12, iat=1374,1336, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   91 ARG  HN           90 ASN  HN          4.50    (#    542:12  Unique         2.90, 2.92 A)
 &rst
  ixpk= 542, nxpk= 12, iat=1350,1336, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   90 ASN  HA           90 ASN  HN          4.50    (#    543:12  Unique         2.77, 2.77 A)
 &rst
  ixpk= 543, nxpk= 12, iat=1338,1336, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   87 GLN  HA           90 ASN  HN          4.50    (#    544:12  Unique         3.70, 3.84 A)
 &rst
  ixpk= 544, nxpk= 12, iat=1283,1336, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   89 LEU  HA           90 ASN  HN          5.50    (#    545:12  Unique         3.56, 3.57 A)
 &rst
  ixpk= 545, nxpk= 12, iat=1319,1336, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   90 ASN  HB+          90 ASN  HN          3.50    (#    546:12  Unique         2.07, 2.68 A)
 &rst
  ixpk= 546, nxpk= 12, iat=  -1,1336, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1340,1341,
 &end
#
#   89 LEU  HB+          90 ASN  HN          4.50    (#    548:12  Unique         2.25, 2.86 A)
 &rst
  ixpk= 548, nxpk= 12, iat=  -1,1336, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1321,1322,
 &end
#
#   89 LEU  HB-          90 ASN  HN          4.50    (#    549:12  Unique         2.25, 2.86 A)
 &rst
  ixpk= 549, nxpk= 12, iat=  -1,1336, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1321,1322,
 &end
#
#   89 LEU  MDX          90 ASN  HN          4.50    (#    550:12  Unique         3.21, 4.92 A)
 &rst
  ixpk= 550, nxpk= 12, iat=  -1,1336, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1326,1327,1328,1330,1331,1332,
 &end
#
#   99 SER  HA          100 THR  HN          4.50    (#    554:12  Unique         2.19, 2.72 A)
 &rst
  ixpk= 554, nxpk= 12, iat=1492,1501, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   99 SER  HA           99 SER  HN          4.50    (#    555:12  Unique         2.27, 2.84 A)
 &rst
  ixpk= 555, nxpk= 12, iat=1492,1490, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  12-2:557     99 SER  HN          4.50    (#    557:12  Single Ambig)
 &rst
  ixpk= 557, nxpk= 12, iat=  -1,1490, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1485,1486,1419,
 &end
#
#   99 SER  HB+         100 THR  HN          4.50    (#    558:12  Unique         2.07, 3.16 A)
 &rst
  ixpk= 558, nxpk= 12, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1494,1495,
 &end
#
#   99 SER  HB+          99 SER  HN          4.50    (#    559:12  Unique         2.47, 3.48 A)
 &rst
  ixpk= 559, nxpk= 12, iat=  -1,1490, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1494,1495,
 &end
#
#  100 THR  MG2         100 THR  HN          5.50    (#    560:12  Unique         2.01, 3.58 A)
 &rst
  ixpk= 560, nxpk= 12, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1507,1508,1509,
 &end
#
#   96 VAL  HN           97 SER  HN          4.50    (#    561:12  Unique         2.71, 2.92 A)
 &rst
  ixpk= 561, nxpk= 12, iat=1456,1472, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   97 SER  HA           97 SER  HN          4.50    (#    562:12  Unique         2.75, 2.77 A)
 &rst
  ixpk= 562, nxpk= 12, iat=1474,1472, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   97 SER  HB+          97 SER  HN          3.50    (#    563:12  Unique         2.19, 2.64 A)
 &rst
  ixpk= 563, nxpk= 12, iat=  -1,1472, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1476,1477,
 &end
#
#   96 VAL  HB           97 SER  HN          4.50    (#    564:12  Unique         2.09, 2.15 A)
 &rst
  ixpk= 564, nxpk= 12, iat=1460,1472, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  12-2:565     97 SER  HN          4.50    (#    565:12  Single Ambig)
 &rst
  ixpk= 565, nxpk= 12, iat=  -1,1472, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1462,1463,1464,1466,1467,1468,1462,1463,1464,1466,
      1467,1468,
 &end
#
#   51 LEU  HN           52 SER  HN          4.50    (#    566:12  Unique         2.36, 2.43 A)
 &rst
  ixpk= 566, nxpk= 12, iat= 793, 812, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  12-2:567     52 SER  HN          5.60    (#    567:12  Single Ambig)
 &rst
  ixpk= 567, nxpk= 12, iat=  -1, 812, r1= 0.00, r2= 1.80, r3= 6.29, r4= 7.04,
 igr1= 774, 752,
 &end
#
#   53 LYS  HN           52 SER  HN          4.50    (#    568:12  Unique         2.68, 2.82 A)
 &rst
  ixpk= 568, nxpk= 12, iat= 823, 812, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   52 SER  HA           52 SER  HN          4.50    (#    569:12  Unique         2.75, 2.76 A)
 &rst
  ixpk= 569, nxpk= 12, iat= 814, 812, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  12-2:570     52 SER  HN          3.50    (#    570:12  Single Ambig)
 &rst
  ixpk= 570, nxpk= 12, iat=  -1, 812, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 816, 817, 744,
 &end
#
#   51 LEU  HB+          52 SER  HN          4.50    (#    571:12  Unique         2.70, 3.32 A)
 &rst
  ixpk= 571, nxpk= 12, iat=  -1, 812, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 797, 798,
 &end
#
#   51 LEU  HB-          52 SER  HN          4.50    (#    572:12  Unique         2.70, 3.32 A)
 &rst
  ixpk= 572, nxpk= 12, iat=  -1, 812, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 797, 798,
 &end
#
#    0 AMB  12-2:581     55 THR  HN          4.50    (#    581:12  Single Ambig)
 &rst
  ixpk= 581, nxpk= 12, iat=  -1, 862, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 847, 864,
 &end
#
#   55 THR  MG2          55 THR  HN          5.50    (#    582:12  Unique         1.95, 3.52 A)
 &rst
  ixpk= 582, nxpk= 12, iat=  -1, 862, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 868, 869, 870,
 &end
#
#   37 GLU  HN           38 SER  HN          4.50    (#    595:12  Unique         2.60, 2.65 A)
 &rst
  ixpk= 595, nxpk= 12, iat= 576, 591, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   39 THR  HN           38 SER  HN          4.50    (#    596:12  Unique         2.42, 2.51 A)
 &rst
  ixpk= 596, nxpk= 12, iat= 602, 591, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   38 SER  HA           38 SER  HN          4.50    (#    597:12  Unique         2.80, 2.89 A)
 &rst
  ixpk= 597, nxpk= 12, iat= 593, 591, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  12-2:598     38 SER  HN          3.50    (#    598:12  Single Ambig)
 &rst
  ixpk= 598, nxpk= 12, iat=  -1, 591, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 595, 596, 595, 596,
 &end
#
#   37 GLU  HB+          38 SER  HN          4.50    (#    599:12  Unique         2.62, 3.47 A)
 &rst
  ixpk= 599, nxpk= 12, iat=  -1, 591, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 580, 581,
 &end
#
#   26 ASN  HN           27 SER  HN          4.50    (#    637:12  Unique         2.80, 2.81 A)
 &rst
  ixpk= 637, nxpk= 12, iat= 407, 421, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   27 SER  HA           27 SER  HN          4.50    (#    642:12  Unique         2.94, 2.95 A)
 &rst
  ixpk= 642, nxpk= 12, iat= 423, 421, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   26 ASN  HA           27 SER  HN          4.50    (#    644:12  Unique         2.58, 2.60 A)
 &rst
  ixpk= 644, nxpk= 12, iat= 409, 421, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   22 LEU  MDY          27 SER  HN          5.50    (#    652:12  Unique         2.08, 4.70 A)
 &rst
  ixpk= 652, nxpk= 12, iat=  -1, 421, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#   41 GLY  HN           40 GLY  HN          4.50    (#    693:12  Unique         1.89, 2.16 A)
 &rst
  ixpk= 693, nxpk= 12, iat= 623, 616, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   39 THR  HN           40 GLY  HN          4.50    (#    694:12  Unique         2.53, 2.63 A)
 &rst
  ixpk= 694, nxpk= 12, iat= 602, 616, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   39 THR  HA           40 GLY  HN          4.50    (#    695:12  Unique         3.40, 3.48 A)
 &rst
  ixpk= 695, nxpk= 12, iat= 604, 616, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   37 GLU  HA           40 GLY  HN          5.60    (#    696:12  Unique         3.57, 3.85 A)
 &rst
  ixpk= 696, nxpk= 12, iat= 578, 616, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,  &end
#
#   36 MET  HA           40 GLY  HN          4.50    (#    697:12  Unique         3.30, 3.69 A)
 &rst
  ixpk= 697, nxpk= 12, iat= 561, 616, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   40 GLY  HA-          40 GLY  HN          4.50    (#    698:12  Unique         2.38, 2.70 A)
 &rst
  ixpk= 698, nxpk= 12, iat=  -1, 616, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 618, 619,
 &end
#
#   39 THR  MG2          40 GLY  HN          5.60    (#    699:12  Unique         4.24, 4.96 A)
 &rst
  ixpk= 699, nxpk= 12, iat=  -1, 616, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 608, 609, 610,
 &end
#
#   57 GLY  HA+          57 GLY  HN          5.50    (#    701:12  Unique         2.30, 2.69 A)
 &rst
  ixpk= 701, nxpk= 12, iat=  -1, 887, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 889, 890,
 &end
#
#   31 GLN  HN           28 THR  HN          5.50    (#    710:12  Unique         3.26, 3.42 A)
 &rst
  ixpk= 710, nxpk= 12, iat= 478, 432, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   27 SER  HA           28 THR  HN          3.50    (#    712:12  Unique         2.55, 2.65 A)
 &rst
  ixpk= 712, nxpk= 12, iat= 423, 432, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   28 THR  HA           28 THR  HN          4.50    (#    713:12  Unique         2.94, 2.95 A)
 &rst
  ixpk= 713, nxpk= 12, iat= 434, 432, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   27 SER  HB-          28 THR  HN          4.50    (#    716:12  Unique         1.95, 2.84 A)
 &rst
  ixpk= 716, nxpk= 12, iat=  -1, 432, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 425, 426,
 &end
#
#   31 GLN  HB+          28 THR  HN          4.50    (#    717:12  Unique         1.94, 2.65 A)
 &rst
  ixpk= 717, nxpk= 12, iat=  -1, 432, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 482, 483,
 &end
#
#   31 GLN  HB-          28 THR  HN          4.50    (#    718:12  Unique         1.94, 2.65 A)
 &rst
  ixpk= 718, nxpk= 12, iat=  -1, 432, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 482, 483,
 &end
#
#   28 THR  MG2          28 THR  HN          4.50    (#    719:12  Unique         2.07, 4.06 A)
 &rst
  ixpk= 719, nxpk= 12, iat=  -1, 432, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 438, 439, 440,
 &end
#
#    0 AMB  12-2:721     39 THR  HN          5.50    (#    721:12  Single Ambig)
 &rst
  ixpk= 721, nxpk= 12, iat=  -1, 602, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 623, 576,
 &end
#
#   38 SER  HN           39 THR  HN          4.50    (#    722:12  Unique         2.42, 2.51 A)
 &rst
  ixpk= 722, nxpk= 12, iat= 591, 602, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   40 GLY  HN           39 THR  HN          4.50    (#    723:12  Unique         2.53, 2.63 A)
 &rst
  ixpk= 723, nxpk= 12, iat= 616, 602, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   39 THR  HA           39 THR  HN          4.50    (#    725:12  Unique         2.82, 2.82 A)
 &rst
  ixpk= 725, nxpk= 12, iat= 604, 602, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   38 SER  HA           39 THR  HN          4.50    (#    726:12  Unique         3.55, 3.56 A)
 &rst
  ixpk= 726, nxpk= 12, iat= 593, 602, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   64 LEU  HA           65 GLY  HN          5.50    (#    727:12  Unique         2.14, 2.57 A)
 &rst
  ixpk= 727, nxpk= 12, iat= 961, 978, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  12-2:728     39 THR  HN          4.50    (#    728:12  Single Ambig)
 &rst
  ixpk= 728, nxpk= 12, iat=  -1, 602, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 595, 596, 595, 596, 561,
 &end
#
#   65 GLY  HA+          65 GLY  HN          4.50    (#    729:12  Unique         2.31, 2.73 A)
 &rst
  ixpk= 729, nxpk= 12, iat=  -1, 978, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 980, 981,
 &end
#
#   39 THR  MG2          39 THR  HN          4.50    (#    734:12  Unique         2.19, 3.27 A)
 &rst
  ixpk= 734, nxpk= 12, iat=  -1, 602, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 608, 609, 610,
 &end
#
#   97 SER  HA           98 GLY  HN          4.50    (#    736:12  Unique         3.55, 3.55 A)
 &rst
  ixpk= 736, nxpk= 12, iat=1474,1483, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  12-2:737     98 GLY  HN          3.50    (#    737:12  Single Ambig)
 &rst
  ixpk= 737, nxpk= 12, iat=  -1,1483, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1485,1486,1419,
 &end
#
#    0 AMB  12-2:744     78 GLY  HN          5.50    (#    744:12  Single Ambig)
 &rst
  ixpk= 744, nxpk= 12, iat=  -1,1154, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1161,1132,
 &end
#
#   77 LYS  HA           78 GLY  HN          4.50    (#    746:12  Unique         2.16, 2.54 A)
 &rst
  ixpk= 746, nxpk= 12, iat=1134,1154, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   78 GLY  HA-          78 GLY  HN          4.50    (#    748:12  Unique         2.31, 2.72 A)
 &rst
  ixpk= 748, nxpk= 12, iat=  -1,1154, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1156,1157,
 &end
#
#   77 LYS  HB+          78 GLY  HN          5.50    (#    749:12  Unique         1.95, 3.30 A)
 &rst
  ixpk= 749, nxpk= 12, iat=  -1,1154, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1136,1137,
 &end
#
#   40 GLY  HN           41 GLY  HN          4.50    (#    750:12  Unique         1.89, 2.16 A)
 &rst
  ixpk= 750, nxpk= 12, iat= 616, 623, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   39 THR  HN           41 GLY  HN          5.50    (#    751:12  Unique         3.87, 4.01 A)
 &rst
  ixpk= 751, nxpk= 12, iat= 602, 623, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   42 ARG  HN           41 GLY  HN          4.50    (#    752:12  Unique         2.08, 2.57 A)
 &rst
  ixpk= 752, nxpk= 12, iat= 630, 623, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  12-2:753     41 GLY  HN          3.50    (#    753:12  Single Ambig)
 &rst
  ixpk= 753, nxpk= 12, iat=  -1, 623, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 625, 626, 618, 619,
 &end
#
#   41 GLY  HA-          41 GLY  HN          3.50    (#    754:12  Unique         2.32, 2.69 A)
 &rst
  ixpk= 754, nxpk= 12, iat=  -1, 623, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 625, 626,
 &end
#
#   36 MET  HB-          41 GLY  HN          5.50    (#    756:12  Unique         3.05, 4.10 A)
 &rst
  ixpk= 756, nxpk= 12, iat=  -1, 623, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 563, 564,
 &end
#
#   89 LEU  MDX          41 GLY  HN          5.50    (#    757:12  Unique         2.35, 4.86 A)
 &rst
  ixpk= 757, nxpk= 12, iat=  -1, 623, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1326,1327,1328,1330,1331,1332,
 &end
#
#   79 MET  HB+          79 MET  HN          4.50    (#    758:12  Unique         2.19, 3.31 A)
 &rst
  ixpk= 758, nxpk= 12, iat=  -1,1161, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1165,1166,
 &end



 &align
   ndip=51, dcut=0.1, dwt=51*0.05,
   gigj=51*-3.1631,
   s11=-45.224, s22=85.404, s12=-30.681, s13=40.862, s23=-22.209,
   freezemol=.false.,
   id(1)=172,   jd(1)=173,  dobsl(1)= 10.51, dobsu(1)= 13.01,
   id(2)=196,   jd(2)=197,  dobsl(2)= 10.91, dobsu(2)= 13.41,
   id(3)=211,   jd(3)=212,  dobsl(3)= 18.94, dobsu(3)= 21.44,
   id(4)=227,   jd(4)=228,  dobsl(4)= 11.89, dobsu(4)= 14.39,
   id(5)=239,   jd(5)=240,  dobsl(5)= 10.35, dobsu(5)= 12.85,
   id(6)=254,   jd(6)=255,  dobsl(6)= 15.62, dobsu(6)= 18.12,
   id(7)=264,   jd(7)=265,  dobsl(7)= 18.05, dobsu(7)= 20.55,
   id(8)=283,   jd(8)=284,  dobsl(8)= 14.89, dobsu(8)= 17.39,
   id(9)=295,   jd(9)=296,  dobsl(9)=  8.48, dobsu(9)= 10.98,
   id(10)=309,   jd(10)=310,  dobsl(10)= 20.16, dobsu(10)= 22.66,
   id(11)=328,   jd(11)=329,  dobsl(11)= 16.92, dobsu(11)= 19.41,
   id(12)=347,   jd(12)=348,  dobsl(12)= 10.43, dobsu(12)= 12.93,
   id(13)=371,   jd(13)=372,  dobsl(13)= 10.51, dobsu(13)= 13.01,
   id(14)=392,   jd(14)=393,  dobsl(14)= 20.65, dobsu(14)= 23.14,
   id(15)=406,   jd(15)=407,  dobsl(15)= -2.39, dobsu(15)=  0.11,
   id(16)=420,   jd(16)=421,  dobsl(16)= -2.79, dobsu(16)= -0.29,
   id(17)=431,   jd(17)=432,  dobsl(17)= -6.36, dobsu(17)= -3.86,
   id(18)=445,   jd(18)=446,  dobsl(18)= -16.41, dobsu(18)= -13.91,
   id(19)=460,   jd(19)=461,  dobsl(19)= -19.09, dobsu(19)= -16.59,
   id(20)=477,   jd(20)=478,  dobsl(20)= -22.25, dobsu(20)= -19.75,
   id(21)=494,   jd(21)=495,  dobsl(21)= -16.90, dobsu(21)= -14.40,
   id(22)=514,   jd(22)=515,  dobsl(22)= -16.50, dobsu(22)= -14.00,
   id(23)=533,   jd(23)=534,  dobsl(23)= -20.96, dobsu(23)= -18.46,
   id(24)=548,   jd(24)=549,  dobsl(24)= -22.17, dobsu(24)= -19.67,
   id(25)=558,   jd(25)=559,  dobsl(25)= -16.25, dobsu(25)= -13.75,
   id(26)=575,   jd(26)=576,  dobsl(26)= -18.04, dobsu(26)= -15.54,
   id(27)=590,   jd(27)=591,  dobsl(27)= -20.71, dobsu(27)= -18.21,
   id(28)=601,   jd(28)=602,  dobsl(28)= -9.20, dobsu(28)= -6.70,
   id(29)=615,   jd(29)=616,  dobsl(29)= -3.52, dobsu(29)= -1.02,
   id(30)=622,   jd(30)=623,  dobsl(30)= -1.33, dobsu(30)=  1.17,
   id(31)=629,   jd(31)=630,  dobsl(31)= -2.39, dobsu(31)=  0.11,
   id(32)=653,   jd(32)=654,  dobsl(32)=  7.83, dobsu(32)= 10.33,
   id(33)=669,   jd(33)=670,  dobsl(33)= -6.68, dobsu(33)= -4.18,
   id(34)=693,   jd(34)=694,  dobsl(34)= 12.05, dobsu(34)= 14.55,
   id(35)=712,   jd(35)=713,  dobsl(35)=  7.99, dobsu(35)= 10.49,
   id(36)=722,   jd(36)=723,  dobsl(36)= -2.55, dobsu(36)= -0.05,
   id(37)=741,   jd(37)=742,  dobsl(37)= -5.30, dobsu(37)= -2.80,
   id(38)=751,   jd(38)=752,  dobsl(38)= 10.35, dobsu(38)= 12.85,
   id(39)=773,   jd(39)=774,  dobsl(39)=  2.24, dobsu(39)=  4.74,
   id(40)=792,   jd(40)=793,  dobsl(40)= -6.44, dobsu(40)= -3.94,
   id(41)=1263,   jd(41)=1264,  dobsl(41)= -5.63, dobsu(41)= -3.13,
   id(42)=1280,   jd(42)=1281,  dobsl(42)=  1.43, dobsu(42)=  3.93,
   id(43)=1297,   jd(43)=1298,  dobsl(43)= -1.66, dobsu(43)=  0.84,
   id(44)=1316,   jd(44)=1317,  dobsl(44)= -7.82, dobsu(44)= -5.32,
   id(45)=1335,   jd(45)=1336,  dobsl(45)= -7.74, dobsu(45)= -5.24,
   id(46)=1349,   jd(46)=1350,  dobsl(46)=  3.29, dobsu(46)=  5.79,
   id(47)=1373,   jd(47)=1374,  dobsl(47)= -9.93, dobsu(47)= -7.43,
   id(48)=1392,   jd(48)=1393,  dobsl(48)= -8.71, dobsu(48)= -6.21,
   id(49)=1416,   jd(49)=1417,  dobsl(49)= -2.87, dobsu(49)= -0.37,
   id(50)=1431,   jd(50)=1432,  dobsl(50)= -2.22, dobsu(50)=  0.28,
   id(51)=1455,   jd(51)=1456,  dobsl(51)= -12.93, dobsu(51)= -10.43,
 &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   SER   1           H1       SER   1  -9.623 -18.661   7.194
    2    H2   SER   1           H2       SER   1  -8.464 -19.691   6.663
    3    H3   SER   1           H3       SER   1  -8.914 -19.707   8.238
    4    HA   SER   1           HA       SER   1  -8.080 -17.479   8.574
    5    HB2  SER   1           HB2      SER   1  -5.974 -19.375   7.456
    6    HB3  SER   1           HB3      SER   1  -5.696 -18.015   8.560
    7    HG   SER   1           HG       SER   1  -5.881 -20.009   9.692
    8    H    VAL   2           H        VAL   2  -6.734 -15.724   7.809
    9    HA   VAL   2           HA       VAL   2  -6.410 -15.445   4.858
   10    HB   VAL   2           HB       VAL   2  -7.175 -13.100   4.977
   11   HG11  VAL   2          HG11      VAL   2  -9.357 -15.046   5.807
   12   HG12  VAL   2          HG12      VAL   2  -9.548 -13.535   4.900
   13   HG13  VAL   2          HG13      VAL   2  -8.679 -14.895   4.170
   14   HG21  VAL   2          HG21      VAL   2  -8.298 -13.795   7.727
   15   HG22  VAL   2          HG22      VAL   2  -6.957 -12.669   7.412
   16   HG23  VAL   2          HG23      VAL   2  -8.581 -12.301   6.811
   17    H    SER   3           H        SER   3  -4.870 -13.842   4.199
   18    HA   SER   3           HA       SER   3  -2.461 -13.849   5.742
   19    HB2  SER   3           HB2      SER   3  -3.198 -12.123   3.351
   20    HB3  SER   3           HB3      SER   3  -1.563 -12.406   3.976
   21    HG   SER   3           HG       SER   3  -2.073 -13.812   2.211
   22    H    ILE   4           H        ILE   4  -1.289 -12.182   6.713
   23    HA   ILE   4           HA       ILE   4  -2.814 -10.134   8.085
   24    HB   ILE   4           HB       ILE   4  -0.838  -9.511   9.195
   25   HG12  ILE   4          HG12      ILE   4   0.849  -9.409   7.490
   26   HG13  ILE   4          HG13      ILE   4   1.384 -10.374   8.846
   27   HG21  ILE   4          HG21      ILE   4  -1.959 -11.551   9.940
   28   HG22  ILE   4          HG22      ILE   4  -0.856 -12.542   8.966
   29   HG23  ILE   4          HG23      ILE   4  -0.228 -11.569  10.309
   30   HD11  ILE   4          HD11      ILE   4   0.537 -11.418   6.115
   31   HD12  ILE   4          HD12      ILE   4   2.166 -11.367   6.794
   32   HD13  ILE   4          HD13      ILE   4   0.966 -12.456   7.503
   33    H    LEU   5           H        LEU   5  -2.330  -7.832   8.098
   34    HA   LEU   5           HA       LEU   5  -2.083  -6.705   5.406
   35    HB2  LEU   5           HB2      LEU   5  -2.311  -5.358   8.123
   36    HB3  LEU   5           HB3      LEU   5  -2.383  -4.537   6.566
   37    HG   LEU   5           HG       LEU   5  -4.401  -6.595   7.576
   38   HD11  LEU   5          HD11      LEU   5  -4.488  -4.428   8.757
   39   HD12  LEU   5          HD12      LEU   5  -4.621  -3.579   7.197
   40   HD13  LEU   5          HD13      LEU   5  -5.916  -4.672   7.734
   41   HD21  LEU   5          HD21      LEU   5  -4.394  -4.907   5.030
   42   HD22  LEU   5          HD22      LEU   5  -4.300  -6.684   5.123
   43   HD23  LEU   5          HD23      LEU   5  -5.772  -5.857   5.632
   44    H    ARG   6           H        ARG   6  -0.449  -5.516   4.559
   45    HA   ARG   6           HA       ARG   6   2.111  -5.134   6.040
   46    HB2  ARG   6           HB2      ARG   6   2.171  -7.395   5.071
   47    HB3  ARG   6           HB3      ARG   6   1.783  -6.762   3.482
   48    HG2  ARG   6           HG2      ARG   6   4.124  -7.344   3.665
   49    HG3  ARG   6           HG3      ARG   6   3.972  -5.624   3.358
   50    HD2  ARG   6           HD2      ARG   6   4.264  -6.663   6.195
   51    HD3  ARG   6           HD3      ARG   6   5.678  -6.554   5.140
   52    HE   ARG   6           HE       ARG   6   4.762  -4.056   4.833
   53   HH11  ARG   6          HH11      ARG   6   5.357  -5.832   7.805
   54   HH12  ARG   6          HH12      ARG   6   5.778  -4.383   8.677
   55   HH21  ARG   6          HH21      ARG   6   5.274  -2.309   5.954
   56   HH22  ARG   6          HH22      ARG   6   5.727  -2.401   7.645
   57    H    SER   7           H        SER   7   1.971  -2.945   5.925
   58    HA   SER   7           HA       SER   7   1.478  -1.454   3.492
   59    HB2  SER   7           HB2      SER   7   2.797  -0.549   6.077
   60    HB3  SER   7           HB3      SER   7   2.184   0.498   4.782
   61    HG   SER   7           HG       SER   7   0.647   0.252   6.488
   62    H    SER   8           H        SER   8   2.947  -0.294   2.184
   63    HA   SER   8           HA       SER   8   5.581  -1.524   1.865
   64    HB2  SER   8           HB2      SER   8   5.671  -0.205  -0.202
   65    HB3  SER   8           HB3      SER   8   4.170  -1.139  -0.072
   66    HG   SER   8           HG       SER   8   3.764   1.030  -0.742
   67    H    VAL   9           H        VAL   9   7.500  -0.194   1.418
   68    HA   VAL   9           HA       VAL   9   7.698   2.308   3.038
   69    HB   VAL   9           HB       VAL   9   8.394   0.254   4.279
   70   HG11  VAL   9          HG11      VAL   9  10.820   0.241   2.446
   71   HG12  VAL   9          HG12      VAL   9  10.555  -0.764   3.879
   72   HG13  VAL   9          HG13      VAL   9   9.526  -0.979   2.457
   73   HG21  VAL   9          HG21      VAL   9   9.134   2.512   4.938
   74   HG22  VAL   9          HG22      VAL   9  10.276   1.233   5.366
   75   HG23  VAL   9          HG23      VAL   9  10.621   2.286   3.988
   76    H    ASN  10           H        ASN  10   7.468   1.873   0.111
   77    HA   ASN  10           HA       ASN  10  10.005   1.986  -1.130
   78    HB2  ASN  10           HB2      ASN  10   7.917   1.244  -2.207
   79    HB3  ASN  10           HB3      ASN  10   7.299   2.901  -2.182
   80   HD21  ASN  10          HD22      ASN  10  10.226   1.060  -3.300
   81   HD22  ASN  10          HD21      ASN  10  10.322   1.948  -4.825
   82    H    HIS  11           H        HIS  11   8.271   4.680   0.333
   83    HA   HIS  11           HA       HIS  11   9.742   6.781  -0.978
   84    HB2  HIS  11           HB2      HIS  11   8.264   6.559   1.647
   85    HB3  HIS  11           HB3      HIS  11   9.278   7.963   1.321
   86    HD2  HIS  11           HD2      HIS  11   5.885   6.539   0.444
   87    HE1  HIS  11           HE1      HIS  11   6.474   9.764  -2.289
   88    HE2  HIS  11           HE2      HIS  11   4.781   8.086  -1.383
   89    H    ARG  12           H        ARG  12  10.791   4.560   1.612
   90    HA   ARG  12           HA       ARG  12  13.268   5.997   2.122
   91    HB2  ARG  12           HB2      ARG  12  12.230   4.293   3.655
   92    HB3  ARG  12           HB3      ARG  12  12.635   3.044   2.457
   93    HG2  ARG  12           HG2      ARG  12  14.203   3.154   4.379
   94    HG3  ARG  12           HG3      ARG  12  14.992   3.317   2.818
   95    HD2  ARG  12           HD2      ARG  12  15.325   5.695   3.127
   96    HD3  ARG  12           HD3      ARG  12  14.315   5.702   4.588
   97    HE   ARG  12           HE       ARG  12  16.201   3.896   5.285
   98   HH11  ARG  12          HH11      ARG  12  16.742   7.152   3.929
   99   HH12  ARG  12          HH12      ARG  12  18.229   7.291   4.817
  100   HH21  ARG  12          HH21      ARG  12  18.109   4.209   6.296
  101   HH22  ARG  12          HH22      ARG  12  18.989   5.692   6.085
  102    H    GLU  13           H        GLU  13  12.298   3.477  -0.188
  103    HA   GLU  13           HA       GLU  13  14.970   2.980  -1.220
  104    HB2  GLU  13           HB2      GLU  13  12.203   2.527  -2.377
  105    HB3  GLU  13           HB3      GLU  13  13.708   1.939  -3.105
  106    HG2  GLU  13           HG2      GLU  13  14.152   0.607  -1.057
  107    HG3  GLU  13           HG3      GLU  13  12.614   1.151  -0.374
  108    H    VAL  14           H        VAL  14  12.291   5.185  -2.196
  109    HA   VAL  14           HA       VAL  14  13.748   6.420  -4.366
  110    HB   VAL  14           HB       VAL  14  11.426   7.420  -2.672
  111   HG11  VAL  14          HG11      VAL  14  12.572   8.525  -5.269
  112   HG12  VAL  14          HG12      VAL  14  11.026   9.029  -4.534
  113   HG13  VAL  14          HG13      VAL  14  12.558   9.346  -3.704
  114   HG21  VAL  14          HG21      VAL  14  10.910   5.407  -4.077
  115   HG22  VAL  14          HG22      VAL  14  10.059   6.843  -4.636
  116   HG23  VAL  14          HG23      VAL  14  11.500   6.273  -5.507
  117    H    ASP  15           H        ASP  15  13.499   7.235  -0.861
  118    HA   ASP  15           HA       ASP  15  15.182   9.563  -0.951
  119    HB2  ASP  15           HB2      ASP  15  13.807   9.127   0.957
  120    HB3  ASP  15           HB3      ASP  15  14.504   7.528   1.180
  121    H    GLU  16           H        GLU  16  16.029   6.076  -0.485
  122    HA   GLU  16           HA       GLU  16  18.854   6.435  -0.310
  123    HB2  GLU  16           HB2      GLU  16  17.752   4.375   0.330
  124    HB3  GLU  16           HB3      GLU  16  17.125   4.130  -1.298
  125    HG2  GLU  16           HG2      GLU  16  19.377   3.820  -2.198
  126    HG3  GLU  16           HG3      GLU  16  20.091   4.190  -0.619
  127    H    ALA  17           H        ALA  17  16.745   6.020  -3.210
  128    HA   ALA  17           HA       ALA  17  18.897   6.014  -5.081
  129    HB1  ALA  17           HB1      ALA  17  15.985   6.863  -5.461
  130    HB2  ALA  17           HB2      ALA  17  17.129   6.457  -6.755
  131    HB3  ALA  17           HB3      ALA  17  16.620   5.209  -5.607
  132    H    ILE  18           H        ILE  18  16.889   8.711  -3.773
  133    HA   ILE  18           HA       ILE  18  18.167  10.878  -5.141
  134    HB   ILE  18           HB       ILE  18  16.748  10.627  -2.476
  135   HG12  ILE  18          HG12      ILE  18  15.905  12.212  -4.924
  136   HG13  ILE  18          HG13      ILE  18  15.573  10.486  -4.808
  137   HG21  ILE  18          HG21      ILE  18  17.908  13.166  -3.695
  138   HG22  ILE  18          HG22      ILE  18  16.701  13.148  -2.390
  139   HG23  ILE  18          HG23      ILE  18  18.290  12.458  -2.110
  140   HD11  ILE  18          HD11      ILE  18  14.587  12.582  -2.840
  141   HD12  ILE  18          HD12      ILE  18  13.645  11.744  -4.085
  142   HD13  ILE  18          HD13      ILE  18  14.310  10.832  -2.722
  143    H    ASP  19           H        ASP  19  18.994   9.345  -1.968
  144    HA   ASP  19           HA       ASP  19  21.250  10.939  -1.428
  145    HB2  ASP  19           HB2      ASP  19  19.929   9.102  -0.032
  146    HB3  ASP  19           HB3      ASP  19  21.200   8.038  -0.618
  147    H    ASN  20           H        ASN  20  21.056   7.857  -3.282
  148    HA   ASN  20           HA       ASN  20  23.835   7.758  -3.915
  149    HB2  ASN  20           HB2      ASN  20  22.142   5.866  -4.070
  150    HB3  ASN  20           HB3      ASN  20  21.540   6.611  -5.550
  151   HD21  ASN  20          HD21      ASN  20  22.201   4.862  -6.909
  152   HD22  ASN  20          HD22      ASN  20  23.896   4.500  -7.173
  153    H    ILE  21           H        ILE  21  21.138   9.543  -5.497
  154    HA   ILE  21           HA       ILE  21  22.769  10.445  -7.723
  155    HB   ILE  21           HB       ILE  21  20.146  11.405  -6.566
  156   HG12  ILE  21          HG12      ILE  21  20.882  10.450  -9.358
  157   HG13  ILE  21          HG13      ILE  21  20.428   9.332  -8.067
  158   HG21  ILE  21          HG21      ILE  21  20.089  13.065  -8.472
  159   HG22  ILE  21          HG22      ILE  21  21.222  13.479  -7.204
  160   HG23  ILE  21          HG23      ILE  21  21.820  12.766  -8.714
  161   HD11  ILE  21          HD11      ILE  21  18.653  11.520  -9.202
  162   HD12  ILE  21          HD12      ILE  21  18.482   9.775  -9.419
  163   HD13  ILE  21          HD13      ILE  21  18.235  10.491  -7.815
  164    H    LEU  22           H        LEU  22  22.229  11.833  -4.415
  165    HA   LEU  22           HA       LEU  22  23.835  14.160  -4.841
  166    HB2  LEU  22           HB2      LEU  22  23.854  12.630  -2.226
  167    HB3  LEU  22           HB3      LEU  22  24.064  14.343  -2.501
  168    HG   LEU  22           HG       LEU  22  21.554  12.721  -2.613
  169   HD11  LEU  22          HD11      LEU  22  22.332  15.086  -0.896
  170   HD12  LEU  22          HD12      LEU  22  20.818  14.153  -0.802
  171   HD13  LEU  22          HD13      LEU  22  22.359  13.384  -0.397
  172   HD21  LEU  22          HD21      LEU  22  21.888  15.642  -3.410
  173   HD22  LEU  22          HD22      LEU  22  21.309  14.331  -4.443
  174   HD23  LEU  22          HD23      LEU  22  20.319  14.850  -3.077
  175    H    ARG  23           H        ARG  23  24.725  10.904  -3.734
  176    HA   ARG  23           HA       ARG  23  27.544  11.239  -3.451
  177    HB2  ARG  23           HB2      ARG  23  26.265   9.427  -2.478
  178    HB3  ARG  23           HB3      ARG  23  25.700   8.904  -4.051
  179    HG2  ARG  23           HG2      ARG  23  27.981   8.191  -4.684
  180    HG3  ARG  23           HG3      ARG  23  28.586   8.722  -3.100
  181    HD2  ARG  23           HD2      ARG  23  27.169   7.091  -1.969
  182    HD3  ARG  23           HD3      ARG  23  26.348   6.668  -3.465
  183    HE   ARG  23           HE       ARG  23  29.143   5.967  -2.679
  184   HH11  ARG  23          HH11      ARG  23  26.542   5.436  -5.028
  185   HH12  ARG  23          HH12      ARG  23  27.413   4.125  -5.771
  186   HH21  ARG  23          HH22      ARG  23  30.139   4.292  -3.688
  187   HH22  ARG  23          HH21      ARG  23  29.380   3.493  -5.031
  188    H    TYR  24           H        TYR  24  25.654  10.125  -6.314
  189    HA   TYR  24           HA       TYR  24  27.910   9.739  -8.023
  190    HB2  TYR  24           HB2      TYR  24  25.738   8.702  -8.393
  191    HB3  TYR  24           HB3      TYR  24  24.963  10.274  -8.547
  192    HD1  TYR  24           HD2      TYR  24  27.807   8.346 -10.129
  193    HD2  TYR  24           HD1      TYR  24  24.441  10.990 -10.707
  194    HE1  TYR  24           HE2      TYR  24  28.176   8.284 -12.589
  195    HE2  TYR  24           HE1      TYR  24  24.810  10.918 -13.170
  196    HH   TYR  24           HH       TYR  24  26.086  10.067 -14.897
  197    H    THR  25           H        THR  25  25.802  12.618  -7.543
  198    HA   THR  25           HA       THR  25  27.304  14.113  -9.605
  199    HB   THR  25           HB       THR  25  25.668  15.881  -9.285
  200    HG1  THR  25           HG1      THR  25  24.308  14.140  -7.508
  201   HG21  THR  25          HG21      THR  25  25.096  14.011 -10.835
  202   HG22  THR  25          HG22      THR  25  24.267  13.180  -9.500
  203   HG23  THR  25          HG23      THR  25  23.679  14.754 -10.070
  204    H    ASN  26           H        ASN  26  27.880  13.572  -6.378
  205    HA   ASN  26           HA       ASN  26  29.036  14.550  -4.745
  206    HB2  ASN  26           HB2      ASN  26  30.805  14.377  -6.510
  207    HB3  ASN  26           HB3      ASN  26  30.501  16.064  -6.940
  208   HD21  ASN  26          HD22      ASN  26  32.902  16.132  -6.398
  209   HD22  ASN  26          HD21      ASN  26  33.313  16.420  -4.714
  210    H    SER  27           H        SER  27  26.690  15.461  -4.650
  211    HA   SER  27           HA       SER  27  26.778  18.444  -4.331
  212    HB2  SER  27           HB2      SER  27  24.643  18.600  -5.447
  213    HB3  SER  27           HB3      SER  27  25.754  17.718  -6.510
  214    HG   SER  27           HG       SER  27  24.462  16.054  -6.381
  215    H    THR  28           H        THR  28  24.651  19.237  -3.295
  216    HA   THR  28           HA       THR  28  23.840  17.490  -1.001
  217    HB   THR  28           HB       THR  28  23.017  19.436   0.096
  218    HG1  THR  28           HG1      THR  28  23.316  21.507  -0.973
  219   HG21  THR  28          HG21      THR  28  25.512  19.099   0.201
  220   HG22  THR  28          HG22      THR  28  25.678  20.267  -1.127
  221   HG23  THR  28          HG23      THR  28  24.994  20.780   0.428
  222    H    GLU  29           H        GLU  29  21.547  17.476  -0.388
  223    HA   GLU  29           HA       GLU  29  19.750  17.060  -2.613
  224    HB2  GLU  29           HB2      GLU  29  17.974  16.980  -0.889
  225    HB3  GLU  29           HB3      GLU  29  19.282  15.861  -0.620
  226    HG2  GLU  29           HG2      GLU  29  19.297  18.539   0.811
  227    HG3  GLU  29           HG3      GLU  29  18.252  17.244   1.361
  228    H    GLN  30           H        GLN  30  20.500  19.992  -0.729
  229    HA   GLN  30           HA       GLN  30  18.283  21.555  -1.744
  230    HB2  GLN  30           HB2      GLN  30  21.058  22.370  -0.770
  231    HB3  GLN  30           HB3      GLN  30  19.746  23.502  -1.144
  232    HG2  GLN  30           HG2      GLN  30  18.346  22.528   0.618
  233    HG3  GLN  30           HG3      GLN  30  19.574  21.316   0.990
  234   HE21  GLN  30          HE22      GLN  30  18.901  24.867   1.078
  235   HE22  GLN  30          HE21      GLN  30  20.099  25.175   2.324
  236    H    GLN  31           H        GLN  31  21.664  21.058  -2.910
  237    HA   GLN  31           HA       GLN  31  21.415  22.722  -5.241
  238    HB2  GLN  31           HB2      GLN  31  23.196  20.362  -4.543
  239    HB3  GLN  31           HB3      GLN  31  23.388  21.320  -6.016
  240    HG2  GLN  31           HG2      GLN  31  23.937  23.305  -4.821
  241    HG3  GLN  31           HG3      GLN  31  23.448  22.628  -3.270
  242   HE21  GLN  31          HE22      GLN  31  25.909  23.723  -3.247
  243   HE22  GLN  31          HE21      GLN  31  27.135  22.468  -3.280
  244    H    PHE  32           H        PHE  32  20.789  19.191  -4.759
  245    HA   PHE  32           HA       PHE  32  20.057  18.743  -7.499
  246    HB2  PHE  32           HB2      PHE  32  20.804  16.976  -5.984
  247    HB3  PHE  32           HB3      PHE  32  19.392  17.223  -4.967
  248    HD1  PHE  32           HD2      PHE  32  19.107  17.150  -8.727
  249    HD2  PHE  32           HD1      PHE  32  18.796  14.909  -5.055
  250    HE1  PHE  32           HE2      PHE  32  17.848  15.385  -9.905
  251    HE2  PHE  32           HE1      PHE  32  17.556  13.130  -6.258
  252    HZ   PHE  32           HZ       PHE  32  17.035  13.382  -8.669
  253    H    LEU  33           H        LEU  33  18.035  19.666  -4.640
  254    HA   LEU  33           HA       LEU  33  15.548  19.621  -6.048
  255    HB2  LEU  33           HB2      LEU  33  15.757  19.635  -3.641
  256    HB3  LEU  33           HB3      LEU  33  16.487  21.230  -3.638
  257    HG   LEU  33           HG       LEU  33  14.130  21.128  -2.814
  258   HD11  LEU  33          HD11      LEU  33  15.091  23.241  -3.777
  259   HD12  LEU  33          HD12      LEU  33  14.255  22.867  -5.300
  260   HD13  LEU  33          HD13      LEU  33  13.326  23.099  -3.817
  261   HD21  LEU  33          HD21      LEU  33  13.262  19.416  -4.390
  262   HD22  LEU  33          HD22      LEU  33  12.281  20.890  -4.384
  263   HD23  LEU  33          HD23      LEU  33  13.389  20.589  -5.726
  264    H    GLU  34           H        GLU  34  17.918  22.285  -5.641
  265    HA   GLU  34           HA       GLU  34  16.481  24.161  -7.266
  266    HB2  GLU  34           HB2      GLU  34  19.414  23.888  -6.528
  267    HB3  GLU  34           HB3      GLU  34  18.800  25.206  -7.532
  268    HG2  GLU  34           HG2      GLU  34  17.234  25.875  -5.738
  269    HG3  GLU  34           HG3      GLU  34  17.846  24.593  -4.701
  270    H    ALA  35           H        ALA  35  18.928  21.717  -8.217
  271    HA   ALA  35           HA       ALA  35  18.956  22.428 -10.989
  272    HB1  ALA  35           HB1      ALA  35  19.997  20.228 -11.306
  273    HB2  ALA  35           HB2      ALA  35  20.681  21.035  -9.884
  274    HB3  ALA  35           HB3      ALA  35  19.495  19.726  -9.675
  275    H    MET  36           H        MET  36  16.868  20.098  -9.188
  276    HA   MET  36           HA       MET  36  15.342  19.235 -11.485
  277    HB2  MET  36           HB2      MET  36  14.812  19.291  -8.488
  278    HB3  MET  36           HB3      MET  36  13.652  18.638  -9.647
  279    HG2  MET  36           HG2      MET  36  16.529  17.676  -9.568
  280    HG3  MET  36           HG3      MET  36  15.307  17.003  -8.512
  281    HE1  MET  36           HE1      MET  36  13.635  15.310  -9.028
  282    HE2  MET  36           HE2      MET  36  12.680  16.487  -9.958
  283    HE3  MET  36           HE3      MET  36  13.020  14.886 -10.640
  284    H    GLU  37           H        GLU  37  14.785  21.911  -9.129
  285    HA   GLU  37           HA       GLU  37  12.303  22.768 -10.237
  286    HB2  GLU  37           HB2      GLU  37  13.515  23.408  -8.003
  287    HB3  GLU  37           HB3      GLU  37  14.379  24.592  -8.973
  288    HG2  GLU  37           HG2      GLU  37  12.637  25.844  -8.138
  289    HG3  GLU  37           HG3      GLU  37  11.968  25.387  -9.698
  290    H    SER  38           H        SER  38  15.671  23.703 -11.051
  291    HA   SER  38           HA       SER  38  15.000  25.668 -13.035
  292    HB2  SER  38           HB2      SER  38  17.157  25.466 -11.809
  293    HB3  SER  38           HB3      SER  38  17.521  23.994 -12.732
  294    HG   SER  38           HG       SER  38  18.454  25.954 -13.619
  295    H    THR  39           H        THR  39  15.294  22.130 -13.236
  296    HA   THR  39           HA       THR  39  15.228  22.229 -16.222
  297    HB   THR  39           HB       THR  39  15.994  19.895 -16.148
  298    HG1  THR  39           HG1      THR  39  16.462  20.308 -13.404
  299   HG21  THR  39          HG21      THR  39  17.691  21.647 -16.315
  300   HG22  THR  39          HG22      THR  39  17.739  21.835 -14.556
  301   HG23  THR  39          HG23      THR  39  18.282  20.320 -15.294
  302    H    GLY  40           H        GLY  40  12.891  22.124 -13.958
  303    HA2  GLY  40           HA2      GLY  40  10.642  21.699 -14.244
  304    HA3  GLY  40           HA3      GLY  40  10.968  21.033 -15.850
  305    H    GLY  41           H        GLY  41  12.604  19.728 -13.012
  306    HA2  GLY  41           HA2      GLY  41  12.233  17.862 -11.712
  307    HA3  GLY  41           HA3      GLY  41  10.644  17.644 -12.451
  308    H    ARG  42           H        ARG  42  13.083  17.750 -14.877
  309    HA   ARG  42           HA       ARG  42  12.918  14.829 -15.314
  310    HB2  ARG  42           HB2      ARG  42  14.070  17.218 -16.791
  311    HB3  ARG  42           HB3      ARG  42  14.605  15.606 -17.234
  312    HG2  ARG  42           HG2      ARG  42  11.652  16.334 -17.154
  313    HG3  ARG  42           HG3      ARG  42  12.682  16.575 -18.582
  314    HD2  ARG  42           HD2      ARG  42  13.295  14.126 -18.497
  315    HD3  ARG  42           HD3      ARG  42  12.083  13.922 -17.212
  316    HE   ARG  42           HE       ARG  42  10.825  15.236 -19.395
  317   HH11  ARG  42          HH22      ARG  42  12.091  12.025 -18.723
  318   HH12  ARG  42          HH21      ARG  42  11.009  11.275 -19.861
  319   HH21  ARG  42          HH12      ARG  42   9.486  14.201 -20.822
  320   HH22  ARG  42          HH11      ARG  42   9.578  12.478 -21.018
  321    H    VAL  43           H        VAL  43  14.026  13.710 -13.776
  322    HA   VAL  43           HA       VAL  43  16.313  14.477 -12.380
  323    HB   VAL  43           HB       VAL  43  15.563  11.634 -13.168
  324   HG11  VAL  43          HG11      VAL  43  16.750  11.033 -11.026
  325   HG12  VAL  43          HG12      VAL  43  17.852  11.651 -12.253
  326   HG13  VAL  43          HG13      VAL  43  17.345  12.701 -10.917
  327   HG21  VAL  43          HG21      VAL  43  13.732  12.840 -11.964
  328   HG22  VAL  43          HG22      VAL  43  14.438  11.549 -10.989
  329   HG23  VAL  43          HG23      VAL  43  14.881  13.246 -10.667
  330    H    ARG  44           H        ARG  44  16.325  12.760 -15.571
  331    HA   ARG  44           HA       ARG  44  19.157  12.487 -15.708
  332    HB2  ARG  44           HB2      ARG  44  18.873  11.971 -18.009
  333    HB3  ARG  44           HB3      ARG  44  17.550  11.256 -17.103
  334    HG2  ARG  44           HG2      ARG  44  16.048  13.164 -17.897
  335    HG3  ARG  44           HG3      ARG  44  17.413  13.730 -18.886
  336    HD2  ARG  44           HD2      ARG  44  17.478  11.513 -20.022
  337    HD3  ARG  44           HD3      ARG  44  16.049  11.020 -19.081
  338    HE   ARG  44           HE       ARG  44  15.572  13.499 -20.491
  339   HH11  ARG  44          HH11      ARG  44  15.784  10.065 -21.146
  340   HH12  ARG  44          HH12      ARG  44  14.778  10.178 -22.563
  341   HH21  ARG  44          HH21      ARG  44  14.279  13.575 -22.307
  342   HH22  ARG  44          HH22      ARG  44  13.943  12.118 -23.192
  343    H    ILE  45           H        ILE  45  17.150  15.267 -16.644
  344    HA   ILE  45           HA       ILE  45  19.416  16.709 -17.833
  345    HB   ILE  45           HB       ILE  45  16.680  17.799 -17.082
  346   HG12  ILE  45          HG12      ILE  45  17.649  16.640 -19.742
  347   HG13  ILE  45          HG13      ILE  45  16.447  15.912 -18.683
  348   HG21  ILE  45          HG21      ILE  45  18.559  19.490 -17.501
  349   HG22  ILE  45          HG22      ILE  45  18.739  18.806 -19.119
  350   HG23  ILE  45          HG23      ILE  45  17.231  19.614 -18.645
  351   HD11  ILE  45          HD11      ILE  45  14.981  17.940 -19.031
  352   HD12  ILE  45          HD12      ILE  45  16.129  18.465 -20.281
  353   HD13  ILE  45          HD13      ILE  45  15.261  16.940 -20.465
  354    H    ALA  46           H        ALA  46  17.652  16.681 -14.712
  355    HA   ALA  46           HA       ALA  46  18.992  18.868 -13.504
  356    HB1  ALA  46           HB1      ALA  46  17.837  16.351 -12.215
  357    HB2  ALA  46           HB2      ALA  46  18.163  17.901 -11.408
  358    HB3  ALA  46           HB3      ALA  46  16.910  17.792 -12.662
  359    H    ILE  47           H        ILE  47  19.818  15.316 -13.332
  360    HA   ILE  47           HA       ILE  47  22.247  15.860 -11.883
  361    HB   ILE  47           HB       ILE  47  22.845  13.572 -12.160
  362   HG12  ILE  47          HG12      ILE  47  20.638  13.363 -14.221
  363   HG13  ILE  47          HG13      ILE  47  22.360  13.138 -14.476
  364   HG21  ILE  47          HG21      ILE  47  21.082  14.303 -10.527
  365   HG22  ILE  47          HG22      ILE  47  19.846  13.729 -11.660
  366   HG23  ILE  47          HG23      ILE  47  21.012  12.590 -10.975
  367   HD11  ILE  47          HD11      ILE  47  22.287  11.142 -12.948
  368   HD12  ILE  47          HD12      ILE  47  20.515  11.314 -12.892
  369   HD13  ILE  47          HD13      ILE  47  21.322  10.975 -14.427
  370    H    ALA  48           H        ALA  48  21.597  15.556 -15.419
  371    HA   ALA  48           HA       ALA  48  24.286  15.759 -16.272
  372    HB1  ALA  48           HB1      ALA  48  23.242  16.660 -18.367
  373    HB2  ALA  48           HB2      ALA  48  22.427  15.206 -17.759
  374    HB3  ALA  48           HB3      ALA  48  21.691  16.800 -17.497
  375    H    LYS  49           H        LYS  49  21.974  18.478 -15.556
  376    HA   LYS  49           HA       LYS  49  23.947  20.548 -16.101
  377    HB2  LYS  49           HB2      LYS  49  21.298  20.543 -14.582
  378    HB3  LYS  49           HB3      LYS  49  22.248  21.995 -14.840
  379    HG2  LYS  49           HG2      LYS  49  21.083  20.237 -17.049
  380    HG3  LYS  49           HG3      LYS  49  20.372  21.729 -16.457
  381    HD2  LYS  49           HD2      LYS  49  23.032  21.469 -17.928
  382    HD3  LYS  49           HD3      LYS  49  21.499  22.035 -18.596
  383    HE2  LYS  49           HE2      LYS  49  21.488  23.924 -16.939
  384    HE3  LYS  49           HE3      LYS  49  23.077  23.407 -16.365
  385    HZ1  LYS  49           HZ1      LYS  49  23.943  23.801 -18.630
  386    HZ2  LYS  49           HZ2      LYS  49  22.471  24.301 -19.148
  387    HZ3  LYS  49           HZ3      LYS  49  23.283  25.164 -18.025
  388    H    LEU  50           H        LEU  50  22.947  18.869 -13.123
  389    HA   LEU  50           HA       LEU  50  24.549  20.434 -11.350
  390    HB2  LEU  50           HB2      LEU  50  22.567  19.039 -10.819
  391    HB3  LEU  50           HB3      LEU  50  23.512  17.578 -11.121
  392    HG   LEU  50           HG       LEU  50  24.910  18.050  -9.151
  393   HD11  LEU  50          HD11      LEU  50  23.128  20.501  -8.770
  394   HD12  LEU  50          HD12      LEU  50  24.291  19.862  -7.587
  395   HD13  LEU  50          HD13      LEU  50  24.878  20.521  -9.111
  396   HD21  LEU  50          HD21      LEU  50  23.042  17.818  -7.459
  397   HD22  LEU  50          HD22      LEU  50  21.893  18.252  -8.736
  398   HD23  LEU  50          HD23      LEU  50  22.845  16.761  -8.868
  399    H    LEU  51           H        LEU  51  25.396  17.539 -13.285
  400    HA   LEU  51           HA       LEU  51  28.118  17.391 -12.253
  401    HB2  LEU  51           HB2      LEU  51  26.685  16.284 -14.694
  402    HB3  LEU  51           HB3      LEU  51  28.400  16.022 -14.437
  403    HG   LEU  51           HG       LEU  51  26.324  15.209 -12.369
  404   HD11  LEU  51          HD11      LEU  51  27.571  13.539 -14.588
  405   HD12  LEU  51          HD12      LEU  51  26.537  12.928 -13.279
  406   HD13  LEU  51          HD13      LEU  51  25.865  14.037 -14.486
  407   HD21  LEU  51          HD21      LEU  51  29.226  14.394 -12.842
  408   HD22  LEU  51          HD22      LEU  51  28.612  15.352 -11.477
  409   HD23  LEU  51          HD23      LEU  51  28.145  13.648 -11.660
  410    H    SER  52           H        SER  52  26.757  18.681 -15.330
  411    HA   SER  52           HA       SER  52  29.341  19.668 -16.169
  412    HB2  SER  52           HB2      SER  52  26.611  19.908 -17.464
  413    HB3  SER  52           HB3      SER  52  28.166  20.310 -18.228
  414    HG   SER  52           HG       SER  52  27.471  18.157 -18.721
  415    H    LYS  53           H        LYS  53  27.721  21.103 -13.869
  416    HA   LYS  53           HA       LYS  53  27.279  23.784 -14.579
  417    HB2  LYS  53           HB2      LYS  53  27.449  24.256 -12.189
  418    HB3  LYS  53           HB3      LYS  53  26.538  22.784 -12.491
  419    HG2  LYS  53           HG2      LYS  53  28.619  21.450 -11.946
  420    HG3  LYS  53           HG3      LYS  53  29.430  22.967 -11.506
  421    HD2  LYS  53           HD2      LYS  53  27.685  23.394  -9.798
  422    HD3  LYS  53           HD3      LYS  53  26.874  21.887 -10.220
  423    HE2  LYS  53           HE2      LYS  53  29.685  22.179  -9.044
  424    HE3  LYS  53           HE3      LYS  53  28.232  21.690  -8.171
  425    HZ1  LYS  53           HZ1      LYS  53  29.644  20.137 -10.282
  426    HZ2  LYS  53           HZ2      LYS  53  29.391  19.705  -8.734
  427    HZ3  LYS  53           HZ3      LYS  53  28.129  19.736  -9.795
  428    H    GLN  54           H        GLN  54  30.366  22.247 -14.144
  429    HA   GLN  54           HA       GLN  54  31.708  24.697 -15.100
  430    HB2  GLN  54           HB2      GLN  54  31.896  24.655 -12.592
  431    HB3  GLN  54           HB3      GLN  54  32.716  23.091 -12.713
  432    HG2  GLN  54           HG2      GLN  54  34.553  24.149 -14.011
  433    HG3  GLN  54           HG3      GLN  54  33.712  25.699 -13.955
  434   HE21  GLN  54          HE22      GLN  54  36.141  25.990 -13.050
  435   HE22  GLN  54          HE21      GLN  54  36.220  25.956 -11.295
  436    H    THR  55           H        THR  55  33.186  24.225 -16.666
  437    HA   THR  55           HA       THR  55  34.249  21.468 -17.007
  438    HB   THR  55           HB       THR  55  33.626  21.574 -19.452
  439    HG1  THR  55           HG1      THR  55  31.897  22.952 -19.995
  440   HG21  THR  55          HG21      THR  55  32.397  20.176 -17.846
  441   HG22  THR  55          HG22      THR  55  31.248  21.514 -17.568
  442   HG23  THR  55          HG23      THR  55  31.384  20.756 -19.176
  443    H    SER  56           H        SER  56  35.844  21.272 -18.700
  444    HA   SER  56           HA       SER  56  37.955  23.145 -18.528
  445    HB2  SER  56           HB2      SER  56  37.382  20.890 -20.485
  446    HB3  SER  56           HB3      SER  56  38.966  21.684 -20.288
  447    HG   SER  56           HG       SER  56  38.806  19.751 -19.025
  448    H    GLY  57           H        GLY  57  35.295  23.073 -20.824
  449    HA2  GLY  57           HA2      GLY  57  34.712  24.528 -22.528
  450    HA3  GLY  57           HA3      GLY  57  36.111  25.524 -22.144
  451    H    GLY  58           H        GLY  58  35.884  25.650 -24.600
  452    HA2  GLY  58           HA2      GLY  58  38.113  24.487 -25.866
  453    HA3  GLY  58           HA3      GLY  58  36.719  23.505 -26.319
  454    H    SER  59           H        SER  59  38.058  24.712 -28.305
  455    HA   SER  59           HA       SER  59  37.159  27.369 -28.969
  456    HB2  SER  59           HB2      SER  59  38.352  25.243 -30.781
  457    HB3  SER  59           HB3      SER  59  38.301  26.985 -31.092
  458    HG   SER  59           HG       SER  59  39.691  27.302 -29.306
  459    H    GLY  60           H        GLY  60  35.616  24.292 -29.445
  460    HA2  GLY  60           HA2      GLY  60  33.173  25.309 -30.374
  461    HA3  GLY  60           HA3      GLY  60  34.081  24.839 -31.816
  462    H    GLY  61           H        GLY  61  31.857  23.542 -31.628
  463    HA2  GLY  61           HA2      GLY  61  31.878  21.087 -30.072
  464    HA3  GLY  61           HA3      GLY  61  30.780  21.494 -31.383
  465    H    SER  62           H        SER  62  31.828  18.925 -30.974
  466    HA   SER  62           HA       SER  62  34.001  18.399 -32.862
  467    HB2  SER  62           HB2      SER  62  33.577  16.034 -32.278
  468    HB3  SER  62           HB3      SER  62  33.870  17.067 -30.870
  469    HG   SER  62           HG       SER  62  32.077  15.662 -30.540
  470    H    LYS  63           H        LYS  63  33.831  16.950 -34.675
  471    HA   LYS  63           HA       LYS  63  31.614  17.543 -36.451
  472    HB2  LYS  63           HB2      LYS  63  33.963  17.303 -37.223
  473    HB3  LYS  63           HB3      LYS  63  33.968  15.623 -36.712
  474    HG2  LYS  63           HG2      LYS  63  33.708  15.734 -39.105
  475    HG3  LYS  63           HG3      LYS  63  32.260  15.056 -38.389
  476    HD2  LYS  63           HD2      LYS  63  31.680  16.536 -40.208
  477    HD3  LYS  63           HD3      LYS  63  31.077  17.225 -38.704
  478    HE2  LYS  63           HE2      LYS  63  33.019  18.780 -38.624
  479    HE3  LYS  63           HE3      LYS  63  33.687  18.034 -40.081
  480    HZ1  LYS  63           HZ1      LYS  63  32.473  20.077 -40.610
  481    HZ2  LYS  63           HZ2      LYS  63  31.723  18.809 -41.309
  482    HZ3  LYS  63           HZ3      LYS  63  31.093  19.498 -39.967
  483    H    LEU  64           H        LEU  64  29.854  16.375 -36.923
  484    HA   LEU  64           HA       LEU  64  29.567  13.544 -36.051
  485    HB2  LEU  64           HB2      LEU  64  27.587  15.818 -35.608
  486    HB3  LEU  64           HB3      LEU  64  27.186  14.118 -35.409
  487    HG   LEU  64           HG       LEU  64  29.288  15.586 -33.754
  488   HD11  LEU  64          HD11      LEU  64  27.015  16.424 -33.327
  489   HD12  LEU  64          HD12      LEU  64  26.437  14.764 -33.069
  490   HD13  LEU  64          HD13      LEU  64  27.616  15.486 -31.951
  491   HD21  LEU  64          HD21      LEU  64  29.719  13.153 -33.855
  492   HD22  LEU  64          HD22      LEU  64  29.108  13.606 -32.267
  493   HD23  LEU  64          HD23      LEU  64  28.025  12.820 -33.434
  494    H    GLY  65           H        GLY  65  28.021  12.324 -37.229
  495    HA2  GLY  65           HA2      GLY  65  26.385  13.176 -39.347
  496    HA3  GLY  65           HA3      GLY  65  27.954  12.803 -40.062
  497    H    GLY  66           H        GLY  66  25.995  11.345 -41.012
  498    HA2  GLY  66           HA2      GLY  66  26.721   8.648 -40.574
  499    HA3  GLY  66           HA3      GLY  66  25.241   8.942 -39.659
  500    H    SER  67           H        SER  67  25.157   7.063 -41.556
  501    HA   SER  67           HA       SER  67  24.344   7.949 -44.174
  502    HB2  SER  67           HB2      SER  67  23.853   5.296 -42.774
  503    HB3  SER  67           HB3      SER  67  23.660   5.614 -44.507
  504    HG   SER  67           HG       SER  67  25.717   4.675 -44.005
  505    H    GLY  68           H        GLY  68  22.291   7.819 -45.176
  506    HA2  GLY  68           HA2      GLY  68  19.999   8.716 -43.652
  507    HA3  GLY  68           HA3      GLY  68  20.029   8.282 -45.356
  508    H    GLY  69           H        GLY  69  17.861   7.678 -43.747
  509    HA2  GLY  69           HA2      GLY  69  17.368   4.920 -44.223
  510    HA3  GLY  69           HA3      GLY  69  17.835   5.106 -42.531
  511    H    SER  70           H        SER  70  15.635   4.192 -42.279
  512    HA   SER  70           HA       SER  70  13.293   5.879 -42.742
  513    HB2  SER  70           HB2      SER  70  12.068   4.057 -41.725
  514    HB3  SER  70           HB3      SER  70  13.243   3.402 -42.869
  515    HG   SER  70           HG       SER  70  13.305   2.231 -40.914
  516    H    ARG  71           H        ARG  71  11.730   6.112 -40.784
  517    HA   ARG  71           HA       ARG  71  12.885   7.964 -38.898
  518    HB2  ARG  71           HB2      ARG  71  10.141   6.628 -39.020
  519    HB3  ARG  71           HB3      ARG  71  10.590   7.885 -37.862
  520    HG2  ARG  71           HG2      ARG  71  11.058   9.466 -39.705
  521    HG3  ARG  71           HG3      ARG  71  10.609   8.233 -40.888
  522    HD2  ARG  71           HD2      ARG  71   8.758   9.768 -40.560
  523    HD3  ARG  71           HD3      ARG  71   8.308   8.168 -39.990
  524    HE   ARG  71           HE       ARG  71   8.999  10.555 -38.300
  525   HH11  ARG  71          HH11      ARG  71   7.369   7.415 -38.405
  526   HH12  ARG  71          HH12      ARG  71   6.969   7.540 -36.689
  527   HH21  ARG  71          HH21      ARG  71   8.301  10.574 -36.151
  528   HH22  ARG  71          HH22      ARG  71   7.441   9.162 -35.547
  529    H    LYS  72           H        LYS  72  12.661   4.551 -38.701
  530    HA   LYS  72           HA       LYS  72  12.620   2.998 -37.048
  531    HB2  LYS  72           HB2      LYS  72  14.619   2.976 -35.638
  532    HB3  LYS  72           HB3      LYS  72  14.890   3.265 -37.337
  533    HG2  LYS  72           HG2      LYS  72  16.435   4.570 -36.183
  534    HG3  LYS  72           HG3      LYS  72  15.277   5.691 -36.875
  535    HD2  LYS  72           HD2      LYS  72  14.186   5.916 -34.638
  536    HD3  LYS  72           HD3      LYS  72  15.345   4.780 -33.950
  537    HE2  LYS  72           HE2      LYS  72  16.064   7.441 -35.276
  538    HE3  LYS  72           HE3      LYS  72  15.801   7.236 -33.545
  539    HZ1  LYS  72           HZ1      LYS  72  18.155   7.105 -34.044
  540    HZ2  LYS  72           HZ2      LYS  72  17.666   5.648 -33.504
  541    HZ3  LYS  72           HZ3      LYS  72  17.952   5.880 -35.100
  542    H    ASP  73           H        ASP  73  10.584   4.692 -36.616
  543    HA   ASP  73           HA       ASP  73  10.475   5.551 -33.837
  544    HB2  ASP  73           HB2      ASP  73   9.634   6.767 -35.879
  545    HB3  ASP  73           HB3      ASP  73   8.345   5.572 -35.995
  546    H    LEU  74           H        LEU  74   9.655   2.632 -35.384
  547    HA   LEU  74           HA       LEU  74   8.616   0.718 -34.820
  548    HB2  LEU  74           HB2      LEU  74   8.748   1.655 -31.943
  549    HB3  LEU  74           HB3      LEU  74   8.623   0.000 -32.517
  550    HG   LEU  74           HG       LEU  74  11.039   1.827 -32.874
  551   HD11  LEU  74          HD11      LEU  74  12.121   0.286 -31.312
  552   HD12  LEU  74          HD12      LEU  74  10.689   1.018 -30.572
  553   HD13  LEU  74          HD13      LEU  74  10.620  -0.656 -31.165
  554   HD21  LEU  74          HD21      LEU  74  12.193  -0.213 -33.688
  555   HD22  LEU  74          HD22      LEU  74  10.650  -1.100 -33.659
  556   HD23  LEU  74          HD23      LEU  74  10.889   0.260 -34.779
  557    H    SER  75           H        SER  75   6.729  -0.268 -33.317
  558    HA   SER  75           HA       SER  75   4.334   0.673 -34.500
  559    HB2  SER  75           HB2      SER  75   4.668  -1.197 -32.124
  560    HB3  SER  75           HB3      SER  75   3.223  -1.041 -33.143
  561    HG   SER  75           HG       SER  75   4.562  -2.811 -33.797
  562    H    VAL  76           H        VAL  76   2.490   1.654 -33.701
  563    HA   VAL  76           HA       VAL  76   2.920   3.670 -31.671
  564    HB   VAL  76           HB       VAL  76   1.692   3.986 -33.804
  565   HG11  VAL  76          HG11      VAL  76   0.274   1.937 -33.788
  566   HG12  VAL  76          HG12      VAL  76  -0.651   2.604 -32.421
  567   HG13  VAL  76          HG13      VAL  76  -0.667   3.418 -33.994
  568   HG21  VAL  76          HG21      VAL  76   0.064   4.790 -31.371
  569   HG22  VAL  76          HG22      VAL  76   1.531   5.615 -31.952
  570   HG23  VAL  76          HG23      VAL  76   0.080   5.560 -32.967
  571    H    LYS  77           H        LYS  77   1.451   0.517 -31.538
  572    HA   LYS  77           HA       LYS  77  -0.256   0.995 -29.233
  573    HB2  LYS  77           HB2      LYS  77   0.731  -1.593 -30.509
  574    HB3  LYS  77           HB3      LYS  77  -0.449  -1.497 -29.197
  575    HG2  LYS  77           HG2      LYS  77  -1.972  -0.158 -30.628
  576    HG3  LYS  77           HG3      LYS  77  -0.798  -0.214 -31.944
  577    HD2  LYS  77           HD2      LYS  77  -2.499  -1.831 -32.396
  578    HD3  LYS  77           HD3      LYS  77  -0.996  -2.692 -32.029
  579    HE2  LYS  77           HE2      LYS  77  -1.815  -3.134 -29.720
  580    HE3  LYS  77           HE3      LYS  77  -3.287  -2.212 -30.056
  581    HZ1  LYS  77           HZ1      LYS  77  -3.654  -4.604 -30.327
  582    HZ2  LYS  77           HZ2      LYS  77  -3.850  -3.866 -31.767
  583    HZ3  LYS  77           HZ3      LYS  77  -2.488  -4.717 -31.460
  584    H    GLY  78           H        GLY  78  -0.049   0.258 -27.127
  585    HA2  GLY  78           HA2      GLY  78   2.157  -1.020 -25.906
  586    HA3  GLY  78           HA3      GLY  78   2.468   0.718 -25.861
  587    H    MET  79           H        MET  79   2.420   0.289 -23.510
  588    HA   MET  79           HA       MET  79  -0.280   0.795 -22.399
  589    HB2  MET  79           HB2      MET  79   0.181  -1.643 -22.170
  590    HB3  MET  79           HB3      MET  79   1.654  -1.273 -21.277
  591    HG2  MET  79           HG2      MET  79  -0.224  -1.909 -19.805
  592    HG3  MET  79           HG3      MET  79   0.404  -0.314 -19.452
  593    HE1  MET  79           HE1      MET  79  -2.171  -1.354 -22.379
  594    HE2  MET  79           HE2      MET  79  -2.540  -2.404 -20.987
  595    HE3  MET  79           HE3      MET  79  -3.694  -1.154 -21.491
  596    H    LEU  80           H        LEU  80  -0.321   2.070 -20.548
  597    HA   LEU  80           HA       LEU  80   2.007   3.844 -20.250
  598    HB2  LEU  80           HB2      LEU  80  -0.893   3.962 -19.372
  599    HB3  LEU  80           HB3      LEU  80   0.309   5.052 -18.705
  600    HG   LEU  80           HG       LEU  80   0.857   5.913 -20.951
  601   HD11  LEU  80          HD11      LEU  80  -1.484   4.193 -21.888
  602   HD12  LEU  80          HD12      LEU  80  -0.761   5.520 -22.822
  603   HD13  LEU  80          HD13      LEU  80   0.208   4.097 -22.445
  604   HD21  LEU  80          HD21      LEU  80  -2.098   6.045 -20.216
  605   HD22  LEU  80          HD22      LEU  80  -0.799   7.030 -19.503
  606   HD23  LEU  80          HD23      LEU  80  -1.214   7.222 -21.212
  607    H    TYR  81           H        TYR  81   2.998   4.416 -18.324
  608    HA   TYR  81           HA       TYR  81   2.436   3.014 -15.820
  609    HB2  TYR  81           HB2      TYR  81   4.004   1.520 -17.135
  610    HB3  TYR  81           HB3      TYR  81   5.191   2.813 -17.102
  611    HD1  TYR  81           HD1      TYR  81   3.028   0.710 -14.846
  612    HD2  TYR  81           HD2      TYR  81   6.730   2.883 -15.286
  613    HE1  TYR  81           HE1      TYR  81   3.785  -0.119 -12.617
  614    HE2  TYR  81           HE2      TYR  81   7.483   2.055 -13.068
  615    HH   TYR  81           HH       TYR  81   6.970   0.775 -11.222
  616    H    ASP  82           H        ASP  82   3.888   3.918 -14.032
  617    HA   ASP  82           HA       ASP  82   3.755   6.793 -14.074
  618    HB2  ASP  82           HB2      ASP  82   3.386   5.374 -12.065
  619    HB3  ASP  82           HB3      ASP  82   5.104   4.957 -12.062
  620    H    SER  83           H        SER  83   5.375   8.364 -14.049
  621    HA   SER  83           HA       SER  83   7.709   7.692 -15.679
  622    HB2  SER  83           HB2      SER  83   6.717  10.356 -14.603
  623    HB3  SER  83           HB3      SER  83   8.071  10.146 -15.721
  624    HG   SER  83           HG       SER  83   5.353   9.396 -16.220
  625    H    ASP  84           H        ASP  84   7.322   7.686 -12.348
  626    HA   ASP  84           HA       ASP  84   8.451   7.930 -10.521
  627    HB2  ASP  84           HB2      ASP  84  10.500   6.864 -10.270
  628    HB3  ASP  84           HB3      ASP  84   9.548   6.007 -11.473
  629    H    SER  85           H        SER  85   9.794  10.031 -12.946
  630    HA   SER  85           HA       SER  85  11.459  11.737 -11.533
  631    HB2  SER  85           HB2      SER  85  10.530  13.509 -13.088
  632    HB3  SER  85           HB3      SER  85  11.058  12.017 -13.884
  633    HG   SER  85           HG       SER  85   8.964  12.768 -14.611
  634    H    GLN  86           H        GLN  86   7.866  11.807 -11.523
  635    HA   GLN  86           HA       GLN  86   7.684  14.075  -9.735
  636    HB2  GLN  86           HB2      GLN  86   5.676  11.892 -10.434
  637    HB3  GLN  86           HB3      GLN  86   5.291  13.349  -9.521
  638    HG2  GLN  86           HG2      GLN  86   6.332  13.321 -12.394
  639    HG3  GLN  86           HG3      GLN  86   4.648  13.477 -11.921
  640   HE21  GLN  86          HE22      GLN  86   5.632  15.438 -13.536
  641   HE22  GLN  86          HE21      GLN  86   5.850  16.912 -12.606
  642    H    GLN  87           H        GLN  87   7.856  10.549  -9.111
  643    HA   GLN  87           HA       GLN  87   7.282  10.786  -6.274
  644    HB2  GLN  87           HB2      GLN  87   8.729   8.589  -7.820
  645    HB3  GLN  87           HB3      GLN  87   8.218   8.507  -6.139
  646    HG2  GLN  87           HG2      GLN  87   5.828   8.849  -6.881
  647    HG3  GLN  87           HG3      GLN  87   6.379   8.772  -8.559
  648   HE21  GLN  87          HE22      GLN  87   6.275   6.705  -9.499
  649   HE22  GLN  87          HE21      GLN  87   6.339   5.222  -8.548
  650    H    ILE  88           H        ILE  88  10.348  10.616  -8.171
  651    HA   ILE  88           HA       ILE  88  12.104  10.974  -5.916
  652    HB   ILE  88           HB       ILE  88  12.393  11.395  -8.907
  653   HG12  ILE  88          HG12      ILE  88  14.284   9.785  -8.571
  654   HG13  ILE  88          HG13      ILE  88  13.887   9.695  -6.858
  655   HG21  ILE  88          HG21      ILE  88  13.719  13.252  -8.014
  656   HG22  ILE  88          HG22      ILE  88  14.448  12.192  -6.786
  657   HG23  ILE  88          HG23      ILE  88  14.822  11.969  -8.504
  658   HD11  ILE  88          HD11      ILE  88  12.184   8.742  -9.201
  659   HD12  ILE  88          HD12      ILE  88  13.089   7.735  -8.070
  660   HD13  ILE  88          HD13      ILE  88  11.686   8.639  -7.491
  661    H    LEU  89           H        LEU  89  10.679  13.445  -8.147
  662    HA   LEU  89           HA       LEU  89  11.755  15.649  -6.751
  663    HB2  LEU  89           HB2      LEU  89  10.730  15.739  -9.005
  664    HB3  LEU  89           HB3      LEU  89   9.146  15.427  -8.321
  665    HG   LEU  89           HG       LEU  89   9.113  17.584  -7.194
  666   HD11  LEU  89          HD11      LEU  89  10.939  19.265  -7.607
  667   HD12  LEU  89          HD12      LEU  89  11.435  17.941  -6.558
  668   HD13  LEU  89          HD13      LEU  89  11.941  17.956  -8.261
  669   HD21  LEU  89          HD21      LEU  89   8.435  17.467  -9.574
  670   HD22  LEU  89          HD22      LEU  89   9.127  19.048  -9.174
  671   HD23  LEU  89          HD23      LEU  89  10.099  17.863 -10.066
  672    H    ASN  90           H        ASN  90   8.573  14.014  -6.109
  673    HA   ASN  90           HA       ASN  90   7.815  15.732  -3.980
  674    HB2  ASN  90           HB2      ASN  90   6.219  14.183  -4.935
  675    HB3  ASN  90           HB3      ASN  90   7.229  12.790  -4.517
  676   HD21  ASN  90          HD22      ASN  90   5.404  15.525  -2.985
  677   HD22  ASN  90          HD21      ASN  90   5.284  14.710  -1.426
  678    H    ARG  91           H        ARG  91   9.752  12.645  -3.767
  679    HA   ARG  91           HA       ARG  91  10.050  12.947  -0.902
  680    HB2  ARG  91           HB2      ARG  91  10.126  10.788  -2.157
  681    HB3  ARG  91           HB3      ARG  91  11.638  11.277  -2.894
  682    HG2  ARG  91           HG2      ARG  91  11.873   9.649  -1.020
  683    HG3  ARG  91           HG3      ARG  91  12.822  11.113  -0.791
  684    HD2  ARG  91           HD2      ARG  91  11.632  10.190   1.269
  685    HD3  ARG  91           HD3      ARG  91  11.424  11.909   0.927
  686    HE   ARG  91           HE       ARG  91   9.354   9.932   0.004
  687   HH11  ARG  91          HH12      ARG  91  10.006  12.695   2.187
  688   HH12  ARG  91          HH11      ARG  91   8.301  13.149   2.043
  689   HH21  ARG  91          HH22      ARG  91   7.237  10.653   0.155
  690   HH22  ARG  91          HH21      ARG  91   6.926  12.146   1.053
  691    H    LEU  92           H        LEU  92  12.057  14.014  -3.628
  692    HA   LEU  92           HA       LEU  92  14.244  14.997  -2.044
  693    HB2  LEU  92           HB2      LEU  92  14.353  14.542  -4.459
  694    HB3  LEU  92           HB3      LEU  92  13.116  15.753  -4.770
  695    HG   LEU  92           HG       LEU  92  14.667  17.545  -4.048
  696   HD11  LEU  92          HD11      LEU  92  16.684  15.274  -3.838
  697   HD12  LEU  92          HD12      LEU  92  17.085  17.004  -3.816
  698   HD13  LEU  92          HD13      LEU  92  16.135  16.315  -2.496
  699   HD21  LEU  92          HD21      LEU  92  16.182  17.300  -6.025
  700   HD22  LEU  92          HD22      LEU  92  15.648  15.622  -6.193
  701   HD23  LEU  92          HD23      LEU  92  14.477  16.952  -6.384
  702    H    ARG  93           H        ARG  93  11.223  16.639  -3.209
  703    HA   ARG  93           HA       ARG  93  11.983  19.187  -2.046
  704    HB2  ARG  93           HB2      ARG  93  10.449  18.899  -3.981
  705    HB3  ARG  93           HB3      ARG  93   9.230  18.189  -2.899
  706    HG2  ARG  93           HG2      ARG  93   9.272  20.362  -1.574
  707    HG3  ARG  93           HG3      ARG  93  10.377  21.019  -2.777
  708    HD2  ARG  93           HD2      ARG  93   7.523  20.047  -3.236
  709    HD3  ARG  93           HD3      ARG  93   8.013  21.725  -3.116
  710    HE   ARG  93           HE       ARG  93   8.193  19.981  -5.429
  711   HH11  ARG  93          HH21      ARG  93   9.663  22.914  -4.113
  712   HH12  ARG  93          HH22      ARG  93  10.117  23.468  -5.720
  713   HH21  ARG  93          HH11      ARG  93   8.704  20.901  -7.410
  714   HH22  ARG  93          HH12      ARG  93   9.621  22.389  -7.462
  715    H    GLU  94           H        GLU  94   9.960  16.467  -0.815
  716    HA   GLU  94           HA       GLU  94   9.382  17.845   1.672
  717    HB2  GLU  94           HB2      GLU  94   9.356  14.931   0.848
  718    HB3  GLU  94           HB3      GLU  94   8.858  15.492   2.464
  719    HG2  GLU  94           HG2      GLU  94   7.164  16.974   1.416
  720    HG3  GLU  94           HG3      GLU  94   7.633  16.394  -0.184
  721    H    ARG  95           H        ARG  95  12.078  15.579   0.794
  722    HA   ARG  95           HA       ARG  95  13.394  15.656   3.348
  723    HB2  ARG  95           HB2      ARG  95  13.925  14.030   1.594
  724    HB3  ARG  95           HB3      ARG  95  14.482  15.306   0.514
  725    HG2  ARG  95           HG2      ARG  95  16.386  15.798   1.942
  726    HG3  ARG  95           HG3      ARG  95  15.806  14.682   3.197
  727    HD2  ARG  95           HD2      ARG  95  16.175  12.779   1.790
  728    HD3  ARG  95           HD3      ARG  95  16.498  13.790   0.369
  729    HE   ARG  95           HE       ARG  95  18.460  14.646   2.064
  730   HH11  ARG  95          HH12      ARG  95  17.691  11.217   1.360
  731   HH12  ARG  95          HH11      ARG  95  19.434  10.907   1.328
  732   HH21  ARG  95          HH21      ARG  95  20.457  13.992   2.089
  733   HH22  ARG  95          HH22      ARG  95  20.856  12.270   1.775
  734    H    VAL  96           H        VAL  96  13.682  17.917   0.580
  735    HA   VAL  96           HA       VAL  96  15.681  19.541   1.964
  736    HB   VAL  96           HB       VAL  96  14.122  19.882  -0.621
  737   HG11  VAL  96          HG11      VAL  96  16.189  21.758   0.622
  738   HG12  VAL  96          HG12      VAL  96  15.751  21.766  -1.100
  739   HG13  VAL  96          HG13      VAL  96  14.536  22.168   0.112
  740   HG21  VAL  96          HG21      VAL  96  15.933  18.168  -0.524
  741   HG22  VAL  96          HG22      VAL  96  16.381  19.525  -1.551
  742   HG23  VAL  96          HG23      VAL  96  17.064  19.411   0.077
  743    H    SER  97           H        SER  97  12.183  19.963   1.326
  744    HA   SER  97           HA       SER  97  12.181  22.602   2.422
  745    HB2  SER  97           HB2      SER  97  10.682  21.792   0.617
  746    HB3  SER  97           HB3      SER  97   9.791  20.836   1.819
  747    HG   SER  97           HG       SER  97   8.853  22.931   1.416
  748    H    GLY  98           H        GLY  98  11.302  19.374   3.741
  749    HA2  GLY  98           HA2      GLY  98  10.962  20.509   6.469
  750    HA3  GLY  98           HA3      GLY  98   9.605  19.662   5.720
  751    H    SER  99           H        SER  99  12.965  18.620   5.250
  752    HA   SER  99           HA       SER  99  14.057  16.693   5.724
  753    HB2  SER  99           HB2      SER  99  12.923  17.178   8.486
  754    HB3  SER  99           HB3      SER  99  14.370  16.235   8.086
  755    HG   SER  99           HG       SER  99  14.896  18.397   8.713
  756    H    THR 100           H        THR 100  11.197  16.158   4.841
  757    HA   THR 100           HA       THR 100   9.635  14.498   4.773
  758    HB   THR 100           HB       THR 100  12.101  12.802   5.182
  759    HG1  THR 100           HG1      THR 100  12.174  13.787   3.270
  760   HG21  THR 100          HG21      THR 100  10.774  11.056   3.887
  761   HG22  THR 100          HG22      THR 100  10.465  11.159   5.612
  762   HG23  THR 100          HG23      THR 100   9.304  11.880   4.474
  763    H    ALA 101           H        ALA 101   9.978  15.905   7.330
  764    HA   ALA 101           HA       ALA 101   9.415  14.033   9.466
  765    HB1  ALA 101           HB1      ALA 101   9.070  17.055   9.329
  766    HB2  ALA 101           HB2      ALA 101   9.083  16.062  10.797
  767    HB3  ALA 101           HB3      ALA 101  10.552  16.201   9.816
  768    H    GLN 102           H        GLN 102   7.473  13.941  10.727
  769    HA   GLN 102           HA       GLN 102   5.128  13.559   9.120
  770    HB2  GLN 102           HB2      GLN 102   4.143  12.625  11.046
  771    HB3  GLN 102           HB3      GLN 102   5.807  12.089  11.004
  772    HG2  GLN 102           HG2      GLN 102   4.764  14.357  12.779
  773    HG3  GLN 102           HG3      GLN 102   4.859  12.679  13.270
  774   HE21  GLN 102          HE22      GLN 102   6.123  14.391  14.911
  775   HE22  GLN 102          HE21      GLN 102   7.864  14.271  14.688
  776    H    SER 103           H        SER 103   6.209  16.368  10.738
  777    HA   SER 103           HA       SER 103   3.747  17.805  10.053
  778    HB2  SER 103           HB2      SER 103   3.423  16.974  12.437
  779    HB3  SER 103           HB3      SER 103   4.838  17.938  12.892
  780    HG   SER 103           HG       SER 103   2.277  18.791  11.997
  781    H    ALA 104           H        ALA 104   4.075  20.091   9.937
  782    HA   ALA 104           HA       ALA 104   6.778  21.215  10.280
  783    HB1  ALA 104           HB1      ALA 104   5.351  21.170   7.581
  784    HB2  ALA 104           HB2      ALA 104   6.844  22.050   7.957
  785    HB3  ALA 104           HB3      ALA 104   6.834  20.280   7.998
  Start of MODEL    2
    1    H1   SER   1           H1       SER   1   8.512 -17.936   0.066
    2    H2   SER   1           H2       SER   1   7.099 -17.179  -0.287
    3    H3   SER   1           H3       SER   1   7.609 -18.436  -1.205
    4    HA   SER   1           HA       SER   1   9.526 -17.206  -1.962
    5    HB2  SER   1           HB2      SER   1   6.905 -15.749  -2.492
    6    HB3  SER   1           HB3      SER   1   8.370 -15.701  -3.496
    7    HG   SER   1           HG       SER   1   6.834 -17.253  -4.260
    8    H    VAL   2           H        VAL   2  10.703 -15.217  -2.101
    9    HA   VAL   2           HA       VAL   2  10.584 -13.666   0.417
   10    HB   VAL   2           HB       VAL   2  12.785 -12.831  -0.185
   11   HG11  VAL   2          HG11      VAL   2  12.548 -14.958   1.050
   12   HG12  VAL   2          HG12      VAL   2  12.611 -15.856  -0.484
   13   HG13  VAL   2          HG13      VAL   2  14.013 -14.908   0.054
   14   HG21  VAL   2          HG21      VAL   2  12.595 -12.816  -2.669
   15   HG22  VAL   2          HG22      VAL   2  14.032 -13.671  -2.098
   16   HG23  VAL   2          HG23      VAL   2  12.636 -14.596  -2.673
   17    H    SER   3           H        SER   3   9.467 -13.120  -2.767
   18    HA   SER   3           HA       SER   3   9.969 -10.343  -3.056
   19    HB2  SER   3           HB2      SER   3   7.675 -11.970  -4.217
   20    HB3  SER   3           HB3      SER   3   8.275 -10.410  -4.811
   21    HG   SER   3           HG       SER   3   9.165 -12.169  -5.999
   22    H    ILE   4           H        ILE   4   8.652  -8.518  -2.862
   23    HA   ILE   4           HA       ILE   4   6.871  -8.453  -0.548
   24    HB   ILE   4           HB       ILE   4   7.908  -6.350  -2.470
   25   HG12  ILE   4          HG12      ILE   4   8.841  -5.351  -0.394
   26   HG13  ILE   4          HG13      ILE   4   8.196  -6.683   0.558
   27   HG21  ILE   4          HG21      ILE   4   5.875  -5.920  -0.234
   28   HG22  ILE   4          HG22      ILE   4   6.769  -4.633  -1.066
   29   HG23  ILE   4          HG23      ILE   4   5.640  -5.620  -1.981
   30   HD11  ILE   4          HD11      ILE   4  10.653  -6.792   0.093
   31   HD12  ILE   4          HD12      ILE   4   9.780  -8.231  -0.436
   32   HD13  ILE   4          HD13      ILE   4  10.290  -7.002  -1.630
   33    H    LEU   5           H        LEU   5   4.680  -8.372  -0.509
   34    HA   LEU   5           HA       LEU   5   3.287  -9.432  -2.779
   35    HB2  LEU   5           HB2      LEU   5   2.859 -10.010  -0.406
   36    HB3  LEU   5           HB3      LEU   5   2.267  -8.373  -0.111
   37    HG   LEU   5           HG       LEU   5   0.370  -8.767  -1.661
   38   HD11  LEU   5          HD11      LEU   5  -0.129 -11.085  -2.409
   39   HD12  LEU   5          HD12      LEU   5   1.321 -10.447  -3.189
   40   HD13  LEU   5          HD13      LEU   5   1.477 -11.605  -1.844
   41   HD21  LEU   5          HD21      LEU   5   0.143  -9.237   0.743
   42   HD22  LEU   5          HD22      LEU   5  -0.840 -10.345  -0.225
   43   HD23  LEU   5          HD23      LEU   5   0.693 -10.907   0.481
   44    H    ARG   6           H        ARG   6   3.450  -6.155  -1.449
   45    HA   ARG   6           HA       ARG   6   1.236  -5.111  -3.065
   46    HB2  ARG   6           HB2      ARG   6   3.331  -3.699  -1.350
   47    HB3  ARG   6           HB3      ARG   6   1.963  -2.904  -2.139
   48    HG2  ARG   6           HG2      ARG   6   0.380  -4.333  -0.846
   49    HG3  ARG   6           HG3      ARG   6   1.754  -5.077  -0.007
   50    HD2  ARG   6           HD2      ARG   6   2.435  -2.859   0.856
   51    HD3  ARG   6           HD3      ARG   6   1.059  -2.105   0.054
   52    HE   ARG   6           HE       ARG   6   1.064  -3.750   2.496
   53   HH11  ARG   6          HH21      ARG   6  -1.051  -2.355   0.059
   54   HH12  ARG   6          HH22      ARG   6  -2.456  -2.500   1.077
   55   HH21  ARG   6          HH11      ARG   6  -0.764  -3.897   3.729
   56   HH22  ARG   6          HH12      ARG   6  -2.291  -3.340   3.106
   57    H    SER   7           H        SER   7   1.309  -3.682  -4.764
   58    HA   SER   7           HA       SER   7   3.581  -3.995  -6.587
   59    HB2  SER   7           HB2      SER   7   0.959  -2.510  -6.971
   60    HB3  SER   7           HB3      SER   7   2.124  -2.955  -8.233
   61    HG   SER   7           HG       SER   7   0.386  -4.465  -8.095
   62    H    SER   8           H        SER   8   2.841  -1.618  -4.248
   63    HA   SER   8           HA       SER   8   3.787   0.720  -5.686
   64    HB2  SER   8           HB2      SER   8   3.572   1.806  -3.444
   65    HB3  SER   8           HB3      SER   8   2.098   1.030  -4.039
   66    HG   SER   8           HG       SER   8   2.532   0.545  -1.812
   67    H    VAL   9           H        VAL   9   5.570   2.045  -5.061
   68    HA   VAL   9           HA       VAL   9   8.030   0.518  -4.431
   69    HB   VAL   9           HB       VAL   9   7.687   3.395  -5.353
   70   HG11  VAL   9          HG11      VAL   9   9.837   3.105  -4.179
   71   HG12  VAL   9          HG12      VAL   9  10.197   1.663  -5.161
   72   HG13  VAL   9          HG13      VAL   9  10.101   3.269  -5.913
   73   HG21  VAL   9          HG21      VAL   9   8.544   2.531  -7.535
   74   HG22  VAL   9          HG22      VAL   9   8.466   0.877  -6.893
   75   HG23  VAL   9          HG23      VAL   9   6.980   1.826  -7.113
   76    H    ASN  10           H        ASN  10   9.272   0.807  -2.613
   77    HA   ASN  10           HA       ASN  10   8.091   2.037  -0.266
   78    HB2  ASN  10           HB2      ASN  10   9.455  -0.006  -0.194
   79    HB3  ASN  10           HB3      ASN  10  10.860   0.866  -0.809
   80   HD21  ASN  10          HD22      ASN  10  11.300  -0.493   1.446
   81   HD22  ASN  10          HD21      ASN  10  11.335   0.592   2.829
   82    H    HIS  11           H        HIS  11   8.156   4.161   0.293
   83    HA   HIS  11           HA       HIS  11   9.573   6.113  -1.253
   84    HB2  HIS  11           HB2      HIS  11   8.685   7.717   0.329
   85    HB3  HIS  11           HB3      HIS  11   7.459   6.561  -0.154
   86    HD2  HIS  11           HD2      HIS  11   6.220   5.241   1.740
   87    HE1  HIS  11           HE1      HIS  11   8.648   6.380   5.060
   88    HE2  HIS  11           HE2      HIS  11   6.529   5.153   4.357
   89    H    ARG  12           H        ARG  12  10.602   4.360   1.652
   90    HA   ARG  12           HA       ARG  12  12.900   6.056   2.166
   91    HB2  ARG  12           HB2      ARG  12  11.749   4.300   3.678
   92    HB3  ARG  12           HB3      ARG  12  12.713   3.084   2.845
   93    HG2  ARG  12           HG2      ARG  12  13.909   5.568   4.158
   94    HG3  ARG  12           HG3      ARG  12  13.556   4.118   5.083
   95    HD2  ARG  12           HD2      ARG  12  15.232   2.852   4.109
   96    HD3  ARG  12           HD3      ARG  12  15.354   3.827   2.666
   97    HE   ARG  12           HE       ARG  12  16.639   4.302   5.245
   98   HH11  ARG  12          HH21      ARG  12  15.890   5.826   2.156
   99   HH12  ARG  12          HH22      ARG  12  16.731   7.307   2.601
  100   HH21  ARG  12          HH11      ARG  12  17.905   6.117   5.592
  101   HH22  ARG  12          HH12      ARG  12  17.983   7.365   4.381
  102    H    GLU  13           H        GLU  13  12.326   3.359  -0.070
  103    HA   GLU  13           HA       GLU  13  15.096   3.168  -0.939
  104    HB2  GLU  13           HB2      GLU  13  13.406   1.333  -1.093
  105    HB3  GLU  13           HB3      GLU  13  12.583   2.237  -2.375
  106    HG2  GLU  13           HG2      GLU  13  14.589   2.129  -3.784
  107    HG3  GLU  13           HG3      GLU  13  15.487   1.334  -2.488
  108    H    VAL  14           H        VAL  14  12.223   5.022  -2.061
  109    HA   VAL  14           HA       VAL  14  13.533   6.311  -4.284
  110    HB   VAL  14           HB       VAL  14  11.376   7.479  -2.485
  111   HG11  VAL  14          HG11      VAL  14  12.055   8.112  -5.388
  112   HG12  VAL  14          HG12      VAL  14  10.768   8.851  -4.399
  113   HG13  VAL  14          HG13      VAL  14  12.462   9.147  -4.006
  114   HG21  VAL  14          HG21      VAL  14  11.060   5.874  -5.063
  115   HG22  VAL  14          HG22      VAL  14  10.653   5.290  -3.443
  116   HG23  VAL  14          HG23      VAL  14   9.755   6.640  -4.120
  117    H    ASP  15           H        ASP  15  13.449   7.122  -0.765
  118    HA   ASP  15           HA       ASP  15  15.105   9.505  -1.074
  119    HB2  ASP  15           HB2      ASP  15  13.712   9.164   0.899
  120    HB3  ASP  15           HB3      ASP  15  14.625   7.727   1.339
  121    H    GLU  16           H        GLU  16  15.911   6.021  -0.558
  122    HA   GLU  16           HA       GLU  16  18.756   6.430  -0.332
  123    HB2  GLU  16           HB2      GLU  16  17.731   4.343   0.350
  124    HB3  GLU  16           HB3      GLU  16  17.137   4.036  -1.285
  125    HG2  GLU  16           HG2      GLU  16  19.405   3.821  -2.151
  126    HG3  GLU  16           HG3      GLU  16  20.082   4.294  -0.588
  127    H    ALA  17           H        ALA  17  16.650   5.911  -3.228
  128    HA   ALA  17           HA       ALA  17  18.780   5.922  -5.099
  129    HB1  ALA  17           HB1      ALA  17  16.488   5.155  -5.610
  130    HB2  ALA  17           HB2      ALA  17  15.873   6.811  -5.432
  131    HB3  ALA  17           HB3      ALA  17  16.998   6.415  -6.752
  132    H    ILE  18           H        ILE  18  16.813   8.626  -3.749
  133    HA   ILE  18           HA       ILE  18  18.162  10.786  -5.067
  134    HB   ILE  18           HB       ILE  18  16.658  10.493  -2.461
  135   HG12  ILE  18          HG12      ILE  18  16.049  12.274  -4.833
  136   HG13  ILE  18          HG13      ILE  18  15.634  10.556  -4.847
  137   HG21  ILE  18          HG21      ILE  18  17.984  13.067  -3.418
  138   HG22  ILE  18          HG22      ILE  18  16.724  12.979  -2.169
  139   HG23  ILE  18          HG23      ILE  18  18.283  12.217  -1.889
  140   HD11  ILE  18          HD11      ILE  18  13.714  11.872  -4.153
  141   HD12  ILE  18          HD12      ILE  18  14.255  10.811  -2.849
  142   HD13  ILE  18          HD13      ILE  18  14.618  12.548  -2.787
  143    H    ASP  19           H        ASP  19  19.016   9.124  -1.964
  144    HA   ASP  19           HA       ASP  19  21.307  10.743  -1.486
  145    HB2  ASP  19           HB2      ASP  19  19.927   8.930  -0.029
  146    HB3  ASP  19           HB3      ASP  19  21.265   7.899  -0.513
  147    H    ASN  20           H        ASN  20  20.987   7.680  -3.322
  148    HA   ASN  20           HA       ASN  20  23.762   7.348  -3.921
  149    HB2  ASN  20           HB2      ASN  20  21.945   5.620  -4.121
  150    HB3  ASN  20           HB3      ASN  20  21.312   6.482  -5.523
  151   HD21  ASN  20          HD22      ASN  20  21.675   4.270  -6.513
  152   HD22  ASN  20          HD21      ASN  20  23.281   3.952  -7.151
  153    H    ILE  21           H        ILE  21  21.148   9.077  -5.727
  154    HA   ILE  21           HA       ILE  21  22.814  10.044  -7.873
  155    HB   ILE  21           HB       ILE  21  20.167  10.915  -6.667
  156   HG12  ILE  21          HG12      ILE  21  20.865  10.006  -9.494
  157   HG13  ILE  21          HG13      ILE  21  20.474   8.866  -8.208
  158   HG21  ILE  21          HG21      ILE  21  21.760  12.351  -8.831
  159   HG22  ILE  21          HG22      ILE  21  20.009  12.565  -8.603
  160   HG23  ILE  21          HG23      ILE  21  21.106  13.042  -7.326
  161   HD11  ILE  21          HD11      ILE  21  18.606  11.007  -9.296
  162   HD12  ILE  21          HD12      ILE  21  18.489   9.257  -9.517
  163   HD13  ILE  21          HD13      ILE  21  18.251   9.955  -7.903
  164    H    LEU  22           H        LEU  22  21.985  11.450  -4.690
  165    HA   LEU  22           HA       LEU  22  23.328  13.914  -4.966
  166    HB2  LEU  22           HB2      LEU  22  21.656  13.276  -3.250
  167    HB3  LEU  22           HB3      LEU  22  22.794  12.130  -2.554
  168    HG   LEU  22           HG       LEU  22  24.313  14.022  -1.968
  169   HD11  LEU  22          HD11      LEU  22  23.507  15.713  -3.588
  170   HD12  LEU  22          HD12      LEU  22  21.882  15.670  -2.852
  171   HD13  LEU  22          HD13      LEU  22  23.275  16.274  -1.927
  172   HD21  LEU  22          HD21      LEU  22  21.466  14.131  -0.879
  173   HD22  LEU  22          HD22      LEU  22  22.757  13.033  -0.338
  174   HD23  LEU  22          HD23      LEU  22  22.912  14.775  -0.075
  175    H    ARG  23           H        ARG  23  24.591  10.775  -3.735
  176    HA   ARG  23           HA       ARG  23  27.304  11.758  -3.311
  177    HB2  ARG  23           HB2      ARG  23  26.079   8.990  -3.524
  178    HB3  ARG  23           HB3      ARG  23  27.787   9.275  -3.144
  179    HG2  ARG  23           HG2      ARG  23  27.210  10.474  -1.102
  180    HG3  ARG  23           HG3      ARG  23  25.489  10.422  -1.500
  181    HD2  ARG  23           HD2      ARG  23  25.716   7.858  -1.503
  182    HD3  ARG  23           HD3      ARG  23  27.286   8.088  -0.734
  183    HE   ARG  23           HE       ARG  23  24.577   8.775   0.359
  184   HH11  ARG  23          HH21      ARG  23  28.010   8.635   1.167
  185   HH12  ARG  23          HH22      ARG  23  27.661   8.860   2.860
  186   HH21  ARG  23          HH11      ARG  23  24.235   9.042   2.316
  187   HH22  ARG  23          HH12      ARG  23  25.508   9.079   3.545
  188    H    TYR  24           H        TYR  24  25.765   9.960  -6.047
  189    HA   TYR  24           HA       TYR  24  28.110   9.646  -7.627
  190    HB2  TYR  24           HB2      TYR  24  26.057   8.451  -8.068
  191    HB3  TYR  24           HB3      TYR  24  25.166   9.944  -8.303
  192    HD1  TYR  24           HD1      TYR  24  28.184   8.167  -9.735
  193    HD2  TYR  24           HD2      TYR  24  24.679  10.581 -10.491
  194    HE1  TYR  24           HE1      TYR  24  28.606   8.026 -12.185
  195    HE2  TYR  24           HE2      TYR  24  25.093  10.419 -12.934
  196    HH   TYR  24           HH       TYR  24  26.453   9.568 -14.604
  197    H    THR  25           H        THR  25  25.781  12.382  -7.501
  198    HA   THR  25           HA       THR  25  27.325  13.987  -9.416
  199    HB   THR  25           HB       THR  25  25.756  15.790  -8.860
  200    HG1  THR  25           HG1      THR  25  24.373  13.951  -7.232
  201   HG21  THR  25          HG21      THR  25  25.074  14.213 -10.603
  202   HG22  THR  25          HG22      THR  25  24.360  13.130  -9.390
  203   HG23  THR  25          HG23      THR  25  23.674  14.745  -9.660
  204    H    ASN  26           H        ASN  26  27.838  13.264  -6.164
  205    HA   ASN  26           HA       ASN  26  28.935  14.154  -4.448
  206    HB2  ASN  26           HB2      ASN  26  30.745  13.749  -6.141
  207    HB3  ASN  26           HB3      ASN  26  30.686  15.467  -6.551
  208   HD21  ASN  26          HD22      ASN  26  33.044  15.254  -5.895
  209   HD22  ASN  26          HD21      ASN  26  33.405  15.429  -4.183
  210    H    SER  27           H        SER  27  26.646  15.422  -4.756
  211    HA   SER  27           HA       SER  27  27.197  18.365  -4.504
  212    HB2  SER  27           HB2      SER  27  25.953  17.411  -6.555
  213    HB3  SER  27           HB3      SER  27  24.595  17.155  -5.444
  214    HG   SER  27           HG       SER  27  25.869  19.586  -6.225
  215    H    THR  28           H        THR  28  25.017  19.404  -3.632
  216    HA   THR  28           HA       THR  28  24.252  18.117  -1.022
  217    HB   THR  28           HB       THR  28  25.544  20.036  -0.479
  218    HG1  THR  28           HG1      THR  28  23.943  20.094   0.920
  219   HG21  THR  28          HG21      THR  28  24.914  22.324  -1.140
  220   HG22  THR  28          HG22      THR  28  25.431  21.380  -2.542
  221   HG23  THR  28          HG23      THR  28  23.698  21.677  -2.261
  222    H    GLU  29           H        GLU  29  22.023  18.099  -0.484
  223    HA   GLU  29           HA       GLU  29  20.414  17.851  -2.811
  224    HB2  GLU  29           HB2      GLU  29  18.523  17.394  -1.265
  225    HB3  GLU  29           HB3      GLU  29  19.911  16.345  -1.150
  226    HG2  GLU  29           HG2      GLU  29  19.783  18.674   0.761
  227    HG3  GLU  29           HG3      GLU  29  18.675  17.328   1.001
  228    H    GLN  30           H        GLN  30  20.794  20.737  -0.798
  229    HA   GLN  30           HA       GLN  30  18.493  22.062  -1.927
  230    HB2  GLN  30           HB2      GLN  30  19.466  24.136  -1.155
  231    HB3  GLN  30           HB3      GLN  30  19.478  22.878   0.064
  232    HG2  GLN  30           HG2      GLN  30  21.498  23.854   0.426
  233    HG3  GLN  30           HG3      GLN  30  21.977  22.507  -0.582
  234   HE21  GLN  30          HE22      GLN  30  23.729  24.608  -0.260
  235   HE22  GLN  30          HE21      GLN  30  23.794  25.557  -1.734
  236    H    GLN  31           H        GLN  31  21.734  21.469  -3.249
  237    HA   GLN  31           HA       GLN  31  21.246  23.173  -5.598
  238    HB2  GLN  31           HB2      GLN  31  23.395  21.120  -4.924
  239    HB3  GLN  31           HB3      GLN  31  23.259  21.871  -6.505
  240    HG2  GLN  31           HG2      GLN  31  23.655  23.420  -3.912
  241    HG3  GLN  31           HG3      GLN  31  24.920  23.007  -5.062
  242   HE21  GLN  31          HE22      GLN  31  22.245  25.201  -4.404
  243   HE22  GLN  31          HE21      GLN  31  22.305  26.038  -5.968
  244    H    PHE  32           H        PHE  32  20.829  19.711  -4.774
  245    HA   PHE  32           HA       PHE  32  19.901  18.980  -7.384
  246    HB2  PHE  32           HB2      PHE  32  20.682  17.478  -5.521
  247    HB3  PHE  32           HB3      PHE  32  19.159  17.781  -4.702
  248    HD1  PHE  32           HD2      PHE  32  18.537  17.422  -8.270
  249    HD2  PHE  32           HD1      PHE  32  19.461  15.200  -4.683
  250    HE1  PHE  32           HE2      PHE  32  17.571  15.391  -9.277
  251    HE2  PHE  32           HE1      PHE  32  18.494  13.163  -5.719
  252    HZ   PHE  32           HZ       PHE  32  17.520  13.261  -7.997
  253    H    LEU  33           H        LEU  33  18.110  20.341  -4.560
  254    HA   LEU  33           HA       LEU  33  15.549  20.436  -5.844
  255    HB2  LEU  33           HB2      LEU  33  15.978  20.672  -3.434
  256    HB3  LEU  33           HB3      LEU  33  16.779  22.202  -3.690
  257    HG   LEU  33           HG       LEU  33  14.484  22.310  -2.701
  258   HD11  LEU  33          HD11      LEU  33  13.717  24.226  -3.879
  259   HD12  LEU  33          HD12      LEU  33  15.487  24.267  -3.929
  260   HD13  LEU  33          HD13      LEU  33  14.556  23.774  -5.366
  261   HD21  LEU  33          HD21      LEU  33  12.528  22.012  -4.066
  262   HD22  LEU  33          HD22      LEU  33  13.500  21.553  -5.480
  263   HD23  LEU  33          HD23      LEU  33  13.452  20.501  -4.039
  264    H    GLU  34           H        GLU  34  18.128  22.925  -5.776
  265    HA   GLU  34           HA       GLU  34  16.738  24.734  -7.470
  266    HB2  GLU  34           HB2      GLU  34  18.687  25.269  -6.036
  267    HB3  GLU  34           HB3      GLU  34  19.745  24.355  -7.120
  268    HG2  GLU  34           HG2      GLU  34  19.385  25.926  -8.921
  269    HG3  GLU  34           HG3      GLU  34  18.060  26.704  -8.054
  270    H    ALA  35           H        ALA  35  18.944  22.060  -8.362
  271    HA   ALA  35           HA       ALA  35  18.859  22.550 -11.188
  272    HB1  ALA  35           HB1      ALA  35  19.395  19.976  -9.636
  273    HB2  ALA  35           HB2      ALA  35  19.804  20.273 -11.339
  274    HB3  ALA  35           HB3      ALA  35  20.602  21.209 -10.059
  275    H    MET  36           H        MET  36  16.832  20.404  -9.095
  276    HA   MET  36           HA       MET  36  15.192  19.417 -11.262
  277    HB2  MET  36           HB2      MET  36  14.769  19.639  -8.251
  278    HB3  MET  36           HB3      MET  36  13.591  18.884  -9.327
  279    HG2  MET  36           HG2      MET  36  16.494  18.010  -9.237
  280    HG3  MET  36           HG3      MET  36  15.286  17.344  -8.153
  281    HE1  MET  36           HE1      MET  36  12.777  16.484  -9.467
  282    HE2  MET  36           HE2      MET  36  13.225  14.941 -10.228
  283    HE3  MET  36           HE3      MET  36  13.887  15.374  -8.634
  284    H    GLU  37           H        GLU  37  14.775  22.267  -9.073
  285    HA   GLU  37           HA       GLU  37  12.228  22.959 -10.246
  286    HB2  GLU  37           HB2      GLU  37  13.062  23.558  -7.971
  287    HB3  GLU  37           HB3      GLU  37  14.161  24.735  -8.698
  288    HG2  GLU  37           HG2      GLU  37  12.300  26.052  -9.512
  289    HG3  GLU  37           HG3      GLU  37  11.149  24.754  -9.175
  290    H    SER  38           H        SER  38  15.591  23.826 -11.100
  291    HA   SER  38           HA       SER  38  14.867  25.740 -13.157
  292    HB2  SER  38           HB2      SER  38  17.390  24.063 -12.867
  293    HB3  SER  38           HB3      SER  38  17.177  25.467 -13.922
  294    HG   SER  38           HG       SER  38  17.184  25.360 -11.094
  295    H    THR  39           H        THR  39  14.949  22.217 -13.141
  296    HA   THR  39           HA       THR  39  14.807  22.134 -16.133
  297    HB   THR  39           HB       THR  39  15.497  19.779 -15.926
  298    HG1  THR  39           HG1      THR  39  16.122  20.364 -13.245
  299   HG21  THR  39          HG21      THR  39  17.362  21.778 -14.567
  300   HG22  THR  39          HG22      THR  39  17.826  20.175 -15.170
  301   HG23  THR  39          HG23      THR  39  17.248  21.420 -16.299
  302    H    GLY  40           H        GLY  40  12.572  22.178 -13.730
  303    HA2  GLY  40           HA2      GLY  40  10.309  21.724 -13.844
  304    HA3  GLY  40           HA3      GLY  40  10.527  21.005 -15.442
  305    H    GLY  41           H        GLY  41  12.376  19.877 -12.654
  306    HA2  GLY  41           HA2      GLY  41  12.222  18.020 -11.319
  307    HA3  GLY  41           HA3      GLY  41  10.579  17.738 -11.893
  308    H    ARG  42           H        ARG  42  12.896  17.869 -14.476
  309    HA   ARG  42           HA       ARG  42  12.612  14.971 -14.997
  310    HB2  ARG  42           HB2      ARG  42  13.904  17.365 -16.377
  311    HB3  ARG  42           HB3      ARG  42  14.337  15.745 -16.885
  312    HG2  ARG  42           HG2      ARG  42  11.463  16.745 -16.850
  313    HG3  ARG  42           HG3      ARG  42  12.545  16.839 -18.243
  314    HD2  ARG  42           HD2      ARG  42  12.908  14.298 -17.961
  315    HD3  ARG  42           HD3      ARG  42  11.500  14.316 -16.904
  316    HE   ARG  42           HE       ARG  42  11.598  14.644 -19.818
  317   HH11  ARG  42          HH21      ARG  42   9.467  15.238 -17.074
  318   HH12  ARG  42          HH22      ARG  42   8.051  15.200 -18.084
  319   HH21  ARG  42          HH11      ARG  42   9.797  14.585 -20.993
  320   HH22  ARG  42          HH12      ARG  42   8.231  14.844 -20.269
  321    H    VAL  43           H        VAL  43  13.736  13.678 -13.585
  322    HA   VAL  43           HA       VAL  43  16.042  14.516 -12.199
  323    HB   VAL  43           HB       VAL  43  14.580  12.670 -11.504
  324   HG11  VAL  43          HG11      VAL  43  14.464  11.379 -13.662
  325   HG12  VAL  43          HG12      VAL  43  16.148  10.876 -13.406
  326   HG13  VAL  43          HG13      VAL  43  14.888  10.400 -12.258
  327   HG21  VAL  43          HG21      VAL  43  16.333  11.303 -10.470
  328   HG22  VAL  43          HG22      VAL  43  17.538  11.938 -11.596
  329   HG23  VAL  43          HG23      VAL  43  16.762  13.026 -10.424
  330    H    ARG  44           H        ARG  44  15.953  12.784 -15.347
  331    HA   ARG  44           HA       ARG  44  18.767  12.375 -15.546
  332    HB2  ARG  44           HB2      ARG  44  18.403  11.916 -17.852
  333    HB3  ARG  44           HB3      ARG  44  17.120  11.209 -16.888
  334    HG2  ARG  44           HG2      ARG  44  15.630  13.190 -17.577
  335    HG3  ARG  44           HG3      ARG  44  16.926  13.660 -18.688
  336    HD2  ARG  44           HD2      ARG  44  15.446  10.999 -18.701
  337    HD3  ARG  44           HD3      ARG  44  15.134  12.344 -19.789
  338    HE   ARG  44           HE       ARG  44  17.423  10.467 -19.822
  339   HH11  ARG  44          HH11      ARG  44  16.079  13.341 -21.338
  340   HH12  ARG  44          HH12      ARG  44  17.159  13.225 -22.698
  341   HH21  ARG  44          HH21      ARG  44  18.743  10.383 -21.586
  342   HH22  ARG  44          HH22      ARG  44  18.627  11.585 -22.835
  343    H    ILE  45           H        ILE  45  16.847  15.223 -16.453
  344    HA   ILE  45           HA       ILE  45  19.156  16.610 -17.624
  345    HB   ILE  45           HB       ILE  45  16.476  17.806 -16.861
  346   HG12  ILE  45          HG12      ILE  45  17.336  16.531 -19.509
  347   HG13  ILE  45          HG13      ILE  45  16.112  15.903 -18.411
  348   HG21  ILE  45          HG21      ILE  45  17.072  19.557 -18.461
  349   HG22  ILE  45          HG22      ILE  45  18.418  19.394 -17.346
  350   HG23  ILE  45          HG23      ILE  45  18.533  18.671 -18.953
  351   HD11  ILE  45          HD11      ILE  45  14.768  18.016 -18.782
  352   HD12  ILE  45          HD12      ILE  45  15.913  18.418 -20.088
  353   HD13  ILE  45          HD13      ILE  45  14.943  16.943 -20.186
  354    H    ALA  46           H        ALA  46  17.458  16.592 -14.466
  355    HA   ALA  46           HA       ALA  46  18.945  18.732 -13.307
  356    HB1  ALA  46           HB1      ALA  46  17.639  16.324 -11.984
  357    HB2  ALA  46           HB2      ALA  46  18.089  17.852 -11.186
  358    HB3  ALA  46           HB3      ALA  46  16.823  17.836 -12.433
  359    H    ILE  47           H        ILE  47  19.614  15.131 -13.212
  360    HA   ILE  47           HA       ILE  47  22.119  15.561 -11.828
  361    HB   ILE  47           HB       ILE  47  22.675  13.289 -12.220
  362   HG12  ILE  47          HG12      ILE  47  20.325  13.122 -14.131
  363   HG13  ILE  47          HG13      ILE  47  22.027  13.006 -14.564
  364   HG21  ILE  47          HG21      ILE  47  21.007  13.955 -10.490
  365   HG22  ILE  47          HG22      ILE  47  19.704  13.488 -11.596
  366   HG23  ILE  47          HG23      ILE  47  20.854  12.272 -11.024
  367   HD11  ILE  47          HD11      ILE  47  20.445  11.002 -12.917
  368   HD12  ILE  47          HD12      ILE  47  21.106  10.796 -14.545
  369   HD13  ILE  47          HD13      ILE  47  22.207  10.933 -13.161
  370    H    ALA  48           H        ALA  48  21.357  15.410 -15.356
  371    HA   ALA  48           HA       ALA  48  24.022  15.713 -16.262
  372    HB1  ALA  48           HB1      ALA  48  21.415  16.846 -17.369
  373    HB2  ALA  48           HB2      ALA  48  22.940  16.702 -18.265
  374    HB3  ALA  48           HB3      ALA  48  22.094  15.244 -17.705
  375    H    LYS  49           H        LYS  49  21.722  18.324 -15.204
  376    HA   LYS  49           HA       LYS  49  23.614  20.467 -15.607
  377    HB2  LYS  49           HB2      LYS  49  21.084  20.203 -13.931
  378    HB3  LYS  49           HB3      LYS  49  22.006  21.703 -14.012
  379    HG2  LYS  49           HG2      LYS  49  20.886  20.311 -16.482
  380    HG3  LYS  49           HG3      LYS  49  20.027  21.554 -15.567
  381    HD2  LYS  49           HD2      LYS  49  21.832  23.177 -16.026
  382    HD3  LYS  49           HD3      LYS  49  22.727  21.946 -16.948
  383    HE2  LYS  49           HE2      LYS  49  20.830  21.715 -18.515
  384    HE3  LYS  49           HE3      LYS  49  19.912  22.922 -17.607
  385    HZ1  LYS  49           HZ1      LYS  49  21.637  24.567 -18.178
  386    HZ2  LYS  49           HZ2      LYS  49  22.486  23.448 -19.017
  387    HZ3  LYS  49           HZ3      LYS  49  21.019  23.918 -19.541
  388    H    LEU  50           H        LEU  50  22.908  18.503 -12.682
  389    HA   LEU  50           HA       LEU  50  24.743  19.879 -10.953
  390    HB2  LEU  50           HB2      LEU  50  23.776  16.990 -11.006
  391    HB3  LEU  50           HB3      LEU  50  24.780  17.655  -9.724
  392    HG   LEU  50           HG       LEU  50  22.015  18.729 -10.395
  393   HD11  LEU  50          HD11      LEU  50  21.886  16.413  -9.577
  394   HD12  LEU  50          HD12      LEU  50  22.938  16.822  -8.200
  395   HD13  LEU  50          HD13      LEU  50  21.317  17.526  -8.341
  396   HD21  LEU  50          HD21      LEU  50  22.187  19.775  -8.165
  397   HD22  LEU  50          HD22      LEU  50  23.851  19.189  -8.015
  398   HD23  LEU  50          HD23      LEU  50  23.426  20.394  -9.253
  399    H    LEU  51           H        LEU  51  25.317  17.087 -13.169
  400    HA   LEU  51           HA       LEU  51  28.138  16.912 -12.536
  401    HB2  LEU  51           HB2      LEU  51  26.468  15.942 -14.887
  402    HB3  LEU  51           HB3      LEU  51  28.178  15.564 -14.694
  403    HG   LEU  51           HG       LEU  51  26.060  14.797 -12.642
  404   HD11  LEU  51          HD11      LEU  51  26.251  12.533 -13.558
  405   HD12  LEU  51          HD12      LEU  51  25.663  13.661 -14.789
  406   HD13  LEU  51          HD13      LEU  51  27.354  13.118 -14.823
  407   HD21  LEU  51          HD21      LEU  51  28.956  13.925 -12.993
  408   HD22  LEU  51          HD22      LEU  51  28.307  14.900 -11.656
  409   HD23  LEU  51          HD23      LEU  51  27.799  13.216 -11.844
  410    H    SER  52           H        SER  52  26.354  18.808 -14.976
  411    HA   SER  52           HA       SER  52  28.590  19.603 -16.522
  412    HB2  SER  52           HB2      SER  52  25.987  21.095 -16.014
  413    HB3  SER  52           HB3      SER  52  27.176  21.512 -17.259
  414    HG   SER  52           HG       SER  52  25.713  19.076 -17.038
  415    H    LYS  53           H        LYS  53  27.663  20.808 -13.347
  416    HA   LYS  53           HA       LYS  53  29.494  23.125 -13.545
  417    HB2  LYS  53           HB2      LYS  53  27.874  22.114 -11.177
  418    HB3  LYS  53           HB3      LYS  53  28.828  23.603 -11.240
  419    HG2  LYS  53           HG2      LYS  53  27.395  24.174 -13.356
  420    HG3  LYS  53           HG3      LYS  53  26.277  22.952 -12.742
  421    HD2  LYS  53           HD2      LYS  53  27.230  25.464 -11.296
  422    HD3  LYS  53           HD3      LYS  53  25.660  25.237 -12.071
  423    HE2  LYS  53           HE2      LYS  53  25.109  23.420 -10.462
  424    HE3  LYS  53           HE3      LYS  53  26.676  23.651  -9.668
  425    HZ1  LYS  53           HZ1      LYS  53  24.896  24.885  -8.510
  426    HZ2  LYS  53           HZ2      LYS  53  26.002  25.926  -9.109
  427    HZ3  LYS  53           HZ3      LYS  53  24.559  25.745  -9.857
  428    H    GLN  54           H        GLN  54  30.080  19.876 -13.076
  429    HA   GLN  54           HA       GLN  54  32.364  20.258 -11.226
  430    HB2  GLN  54           HB2      GLN  54  31.465  17.757 -12.704
  431    HB3  GLN  54           HB3      GLN  54  32.701  17.848 -11.461
  432    HG2  GLN  54           HG2      GLN  54  29.727  18.389 -11.059
  433    HG3  GLN  54           HG3      GLN  54  30.602  16.949 -10.563
  434   HE21  GLN  54          HE22      GLN  54  32.432  17.288  -8.906
  435   HE22  GLN  54          HE21      GLN  54  32.178  18.574  -7.738
  436    H    THR  55           H        THR  55  34.553  19.502 -11.898
  437    HA   THR  55           HA       THR  55  35.386  20.838 -14.322
  438    HB   THR  55           HB       THR  55  37.649  19.900 -13.713
  439    HG1  THR  55           HG1      THR  55  37.797  18.872 -11.697
  440   HG21  THR  55          HG21      THR  55  37.923  21.287 -11.718
  441   HG22  THR  55          HG22      THR  55  36.861  22.102 -12.876
  442   HG23  THR  55          HG23      THR  55  36.167  21.308 -11.445
  443    H    SER  56           H        SER  56  34.903  17.456 -13.501
  444    HA   SER  56           HA       SER  56  34.809  15.538 -14.637
  445    HB2  SER  56           HB2      SER  56  33.263  16.754 -16.089
  446    HB3  SER  56           HB3      SER  56  34.603  17.168 -17.174
  447    HG   SER  56           HG       SER  56  33.356  15.229 -17.752
  448    H    GLY  57           H        GLY  57  35.934  13.937 -15.694
  449    HA2  GLY  57           HA2      GLY  57  38.808  14.424 -16.267
  450    HA3  GLY  57           HA3      GLY  57  38.001  12.864 -16.093
  451    H    GLY  58           H        GLY  58  35.903  14.403 -18.052
  452    HA2  GLY  58           HA2      GLY  58  36.744  12.963 -20.422
  453    HA3  GLY  58           HA3      GLY  58  35.311  13.968 -20.238
  454    H    SER  59           H        SER  59  36.560  13.948 -22.587
  455    HA   SER  59           HA       SER  59  37.732  16.675 -22.901
  456    HB2  SER  59           HB2      SER  59  38.740  14.132 -24.238
  457    HB3  SER  59           HB3      SER  59  39.260  15.778 -24.636
  458    HG   SER  59           HG       SER  59  40.704  14.734 -23.166
  459    H    GLY  60           H        GLY  60  37.417  17.621 -24.999
  460    HA2  GLY  60           HA2      GLY  60  34.833  17.155 -26.163
  461    HA3  GLY  60           HA3      GLY  60  36.068  18.250 -26.778
  462    H    GLY  61           H        GLY  61  34.229  16.418 -28.201
  463    HA2  GLY  61           HA2      GLY  61  35.699  14.144 -29.214
  464    HA3  GLY  61           HA3      GLY  61  34.158  14.771 -29.802
  465    H    SER  62           H        SER  62  35.708  17.469 -30.197
  466    HA   SER  62           HA       SER  62  36.477  18.648 -31.965
  467    HB2  SER  62           HB2      SER  62  38.531  17.319 -31.325
  468    HB3  SER  62           HB3      SER  62  38.194  16.275 -32.719
  469    HG   SER  62           HG       SER  62  39.651  18.079 -33.148
  470    H    LYS  63           H        LYS  63  37.130  18.262 -34.528
  471    HA   LYS  63           HA       LYS  63  34.544  17.841 -35.813
  472    HB2  LYS  63           HB2      LYS  63  35.659  18.525 -37.858
  473    HB3  LYS  63           HB3      LYS  63  35.982  19.654 -36.553
  474    HG2  LYS  63           HG2      LYS  63  38.232  19.283 -36.577
  475    HG3  LYS  63           HG3      LYS  63  38.065  17.543 -36.776
  476    HD2  LYS  63           HD2      LYS  63  39.167  18.437 -38.721
  477    HD3  LYS  63           HD3      LYS  63  37.576  17.812 -39.169
  478    HE2  LYS  63           HE2      LYS  63  36.700  20.217 -38.997
  479    HE3  LYS  63           HE3      LYS  63  38.367  20.742 -38.755
  480    HZ1  LYS  63           HZ1      LYS  63  38.897  19.764 -40.953
  481    HZ2  LYS  63           HZ2      LYS  63  37.328  19.305 -41.153
  482    HZ3  LYS  63           HZ3      LYS  63  37.725  20.896 -41.094
  483    H    LEU  64           H        LEU  64  34.139  16.517 -37.652
  484    HA   LEU  64           HA       LEU  64  35.548  13.871 -37.610
  485    HB2  LEU  64           HB2      LEU  64  32.587  14.492 -37.927
  486    HB3  LEU  64           HB3      LEU  64  33.290  12.885 -38.035
  487    HG   LEU  64           HG       LEU  64  33.334  14.617 -35.525
  488   HD11  LEU  64          HD11      LEU  64  31.655  13.037 -34.685
  489   HD12  LEU  64          HD12      LEU  64  31.068  13.865 -36.132
  490   HD13  LEU  64          HD13      LEU  64  31.646  12.186 -36.246
  491   HD21  LEU  64          HD21      LEU  64  34.000  12.512 -34.392
  492   HD22  LEU  64          HD22      LEU  64  34.120  11.699 -35.967
  493   HD23  LEU  64          HD23      LEU  64  35.222  13.031 -35.553
  494    H    GLY  65           H        GLY  65  35.268  16.444 -39.674
  495    HA2  GLY  65           HA2      GLY  65  36.154  15.006 -41.963
  496    HA3  GLY  65           HA3      GLY  65  34.418  15.256 -42.115
  497    H    GLY  66           H        GLY  66  34.962  16.425 -44.033
  498    HA2  GLY  66           HA2      GLY  66  36.305  19.032 -43.937
  499    HA3  GLY  66           HA3      GLY  66  35.482  18.297 -45.305
  500    H    SER  67           H        SER  67  34.897  20.676 -45.458
  501    HA   SER  67           HA       SER  67  32.773  21.714 -43.757
  502    HB2  SER  67           HB2      SER  67  32.733  23.565 -45.395
  503    HB3  SER  67           HB3      SER  67  34.350  23.240 -44.754
  504    HG   SER  67           HG       SER  67  34.350  23.531 -47.051
  505    H    GLY  68           H        GLY  68  30.677  22.447 -44.633
  506    HA2  GLY  68           HA2      GLY  68  28.660  22.136 -45.750
  507    HA3  GLY  68           HA3      GLY  68  29.470  21.099 -46.918
  508    H    GLY  69           H        GLY  69  27.457  19.858 -46.767
  509    HA2  GLY  69           HA2      GLY  69  26.409  17.883 -46.224
  510    HA3  GLY  69           HA3      GLY  69  27.719  17.522 -45.101
  511    H    SER  70           H        SER  70  25.961  20.500 -44.576
  512    HA   SER  70           HA       SER  70  25.325  19.730 -41.887
  513    HB2  SER  70           HB2      SER  70  24.530  22.028 -41.684
  514    HB3  SER  70           HB3      SER  70  26.060  21.972 -42.576
  515    HG   SER  70           HG       SER  70  24.915  23.153 -43.953
  516    H    ARG  71           H        ARG  71  23.528  19.106 -44.666
  517    HA   ARG  71           HA       ARG  71  20.847  19.696 -43.708
  518    HB2  ARG  71           HB2      ARG  71  21.737  17.912 -46.010
  519    HB3  ARG  71           HB3      ARG  71  20.122  18.558 -45.750
  520    HG2  ARG  71           HG2      ARG  71  22.610  20.167 -46.476
  521    HG3  ARG  71           HG3      ARG  71  21.244  19.776 -47.502
  522    HD2  ARG  71           HD2      ARG  71  20.812  21.973 -46.921
  523    HD3  ARG  71           HD3      ARG  71  19.782  21.057 -45.813
  524    HE   ARG  71           HE       ARG  71  22.497  21.887 -44.871
  525   HH11  ARG  71          HH11      ARG  71  19.075  22.667 -44.749
  526   HH12  ARG  71          HH12      ARG  71  19.270  23.657 -43.328
  527   HH21  ARG  71          HH21      ARG  71  22.671  23.106 -43.107
  528   HH22  ARG  71          HH22      ARG  71  21.282  23.916 -42.412
  529    H    LYS  72           H        LYS  72  22.915  17.166 -42.917
  530    HA   LYS  72           HA       LYS  72  20.721  15.677 -41.587
  531    HB2  LYS  72           HB2      LYS  72  21.616  13.512 -42.257
  532    HB3  LYS  72           HB3      LYS  72  21.130  14.452 -43.664
  533    HG2  LYS  72           HG2      LYS  72  23.516  15.047 -44.095
  534    HG3  LYS  72           HG3      LYS  72  24.001  14.091 -42.677
  535    HD2  LYS  72           HD2      LYS  72  23.054  12.054 -43.729
  536    HD3  LYS  72           HD3      LYS  72  22.560  13.012 -45.142
  537    HE2  LYS  72           HE2      LYS  72  24.932  13.635 -45.551
  538    HE3  LYS  72           HE3      LYS  72  25.432  12.680 -44.151
  539    HZ1  LYS  72           HZ1      LYS  72  24.574  10.688 -45.288
  540    HZ2  LYS  72           HZ2      LYS  72  24.112  11.573 -46.584
  541    HZ3  LYS  72           HZ3      LYS  72  25.694  11.420 -46.220
  542    H    ASP  73           H        ASP  73  21.458  14.263 -39.871
  543    HA   ASP  73           HA       ASP  73  24.116  14.732 -38.702
  544    HB2  ASP  73           HB2      ASP  73  22.741  16.678 -37.943
  545    HB3  ASP  73           HB3      ASP  73  21.564  15.561 -37.254
  546    H    LEU  74           H        LEU  74  24.651  13.213 -37.040
  547    HA   LEU  74           HA       LEU  74  23.638  10.602 -37.313
  548    HB2  LEU  74           HB2      LEU  74  25.871  11.306 -36.509
  549    HB3  LEU  74           HB3      LEU  74  25.173  11.904 -35.018
  550    HG   LEU  74           HG       LEU  74  26.427   9.742 -34.928
  551   HD11  LEU  74          HD11      LEU  74  24.804  10.397 -33.154
  552   HD12  LEU  74          HD12      LEU  74  23.584   9.382 -33.948
  553   HD13  LEU  74          HD13      LEU  74  25.067   8.656 -33.320
  554   HD21  LEU  74          HD21      LEU  74  25.572   8.746 -37.026
  555   HD22  LEU  74          HD22      LEU  74  25.419   7.665 -35.625
  556   HD23  LEU  74          HD23      LEU  74  23.987   8.507 -36.250
  557    H    SER  75           H        SER  75  22.707  13.128 -34.972
  558    HA   SER  75           HA       SER  75  20.822  11.293 -33.611
  559    HB2  SER  75           HB2      SER  75  21.732  14.080 -32.845
  560    HB3  SER  75           HB3      SER  75  20.696  13.008 -31.880
  561    HG   SER  75           HG       SER  75  22.916  12.890 -31.248
  562    H    VAL  76           H        VAL  76  20.298  12.567 -36.374
  563    HA   VAL  76           HA       VAL  76  18.129  14.413 -36.012
  564    HB   VAL  76           HB       VAL  76  19.532  14.104 -38.068
  565   HG11  VAL  76          HG11      VAL  76  19.290  11.610 -38.299
  566   HG12  VAL  76          HG12      VAL  76  17.590  11.854 -38.759
  567   HG13  VAL  76          HG13      VAL  76  18.887  12.511 -39.766
  568   HG21  VAL  76          HG21      VAL  76  17.805  14.766 -39.618
  569   HG22  VAL  76          HG22      VAL  76  16.536  14.121 -38.562
  570   HG23  VAL  76          HG23      VAL  76  17.513  15.512 -38.037
  571    H    LYS  77           H        LYS  77  18.205  10.928 -35.857
  572    HA   LYS  77           HA       LYS  77  15.337  10.500 -36.239
  573    HB2  LYS  77           HB2      LYS  77  17.530   8.677 -35.156
  574    HB3  LYS  77           HB3      LYS  77  15.861   8.188 -35.460
  575    HG2  LYS  77           HG2      LYS  77  16.115   8.789 -37.864
  576    HG3  LYS  77           HG3      LYS  77  17.813   9.212 -37.573
  577    HD2  LYS  77           HD2      LYS  77  18.265   6.883 -36.828
  578    HD3  LYS  77           HD3      LYS  77  16.565   6.462 -37.126
  579    HE2  LYS  77           HE2      LYS  77  16.827   7.072 -39.521
  580    HE3  LYS  77           HE3      LYS  77  18.519   7.500 -39.234
  581    HZ1  LYS  77           HZ1      LYS  77  18.932   5.167 -38.613
  582    HZ2  LYS  77           HZ2      LYS  77  17.367   4.771 -38.881
  583    HZ3  LYS  77           HZ3      LYS  77  18.314   5.240 -40.121
  584    H    GLY  78           H        GLY  78  13.827   9.812 -34.697
  585    HA2  GLY  78           HA2      GLY  78  13.804  11.301 -32.241
  586    HA3  GLY  78           HA3      GLY  78  12.617  10.103 -32.746
  587    H    MET  79           H        MET  79  13.592  10.546 -30.093
  588    HA   MET  79           HA       MET  79  14.444   7.820 -29.372
  589    HB2  MET  79           HB2      MET  79  16.538   9.184 -29.649
  590    HB3  MET  79           HB3      MET  79  15.943  10.309 -28.432
  591    HG2  MET  79           HG2      MET  79  17.595   8.701 -27.539
  592    HG3  MET  79           HG3      MET  79  16.052   8.612 -26.709
  593    HE1  MET  79           HE1      MET  79  17.077   6.970 -30.241
  594    HE2  MET  79           HE2      MET  79  18.531   6.894 -29.216
  595    HE3  MET  79           HE3      MET  79  17.672   5.403 -29.660
  596    H    LEU  80           H        LEU  80  13.935   7.240 -27.216
  597    HA   LEU  80           HA       LEU  80  12.151   9.074 -25.675
  598    HB2  LEU  80           HB2      LEU  80  11.615   6.172 -26.436
  599    HB3  LEU  80           HB3      LEU  80  10.675   7.074 -25.253
  600    HG   LEU  80           HG       LEU  80  10.886   7.808 -28.209
  601   HD11  LEU  80          HD11      LEU  80   8.630   6.475 -26.657
  602   HD12  LEU  80          HD12      LEU  80   8.591   6.963 -28.365
  603   HD13  LEU  80          HD13      LEU  80   9.696   5.682 -27.841
  604   HD21  LEU  80          HD21      LEU  80  10.361   9.777 -26.809
  605   HD22  LEU  80          HD22      LEU  80   8.943   9.266 -27.722
  606   HD23  LEU  80          HD23      LEU  80   9.072   8.867 -25.994
  607    H    TYR  81           H        TYR  81  11.881   8.557 -23.471
  608    HA   TYR  81           HA       TYR  81  13.742   6.669 -22.175
  609    HB2  TYR  81           HB2      TYR  81  14.601   8.431 -20.662
  610    HB3  TYR  81           HB3      TYR  81  15.092   8.666 -22.327
  611    HD1  TYR  81           HD1      TYR  81  12.794   9.908 -19.653
  612    HD2  TYR  81           HD2      TYR  81  14.461  10.629 -23.569
  613    HE1  TYR  81           HE1      TYR  81  11.834  12.198 -19.639
  614    HE2  TYR  81           HE2      TYR  81  13.510  12.931 -23.550
  615    HH   TYR  81           HH       TYR  81  12.273  14.474 -22.397
  616    H    ASP  82           H        ASP  82  13.299   6.410 -19.868
  617    HA   ASP  82           HA       ASP  82  10.795   7.500 -18.765
  618    HB2  ASP  82           HB2      ASP  82  10.033   5.471 -19.942
  619    HB3  ASP  82           HB3      ASP  82  11.252   4.507 -19.105
  620    H    SER  83           H        SER  83  10.983   7.867 -16.606
  621    HA   SER  83           HA       SER  83  12.729   6.324 -14.872
  622    HB2  SER  83           HB2      SER  83  14.295   7.966 -16.037
  623    HB3  SER  83           HB3      SER  83  13.423   9.272 -15.211
  624    HG   SER  83           HG       SER  83  15.378   8.339 -14.135
  625    H    ASP  84           H        ASP  84  12.787   7.414 -12.646
  626    HA   ASP  84           HA       ASP  84  10.026   7.786 -11.770
  627    HB2  ASP  84           HB2      ASP  84  12.686   7.300 -10.410
  628    HB3  ASP  84           HB3      ASP  84  11.298   7.784  -9.459
  629    H    SER  85           H        SER  85  11.199  10.105 -13.266
  630    HA   SER  85           HA       SER  85  12.192  12.195 -11.845
  631    HB2  SER  85           HB2      SER  85  10.199  12.127 -14.114
  632    HB3  SER  85           HB3      SER  85  10.819  13.658 -13.491
  633    HG   SER  85           HG       SER  85  12.029  12.146 -15.227
  634    H    GLN  86           H        GLN  86   8.607  11.601 -12.004
  635    HA   GLN  86           HA       GLN  86   8.026  13.889 -10.311
  636    HB2  GLN  86           HB2      GLN  86   6.355  11.478 -11.126
  637    HB3  GLN  86           HB3      GLN  86   5.722  12.844 -10.217
  638    HG2  GLN  86           HG2      GLN  86   6.952  13.061 -13.005
  639    HG3  GLN  86           HG3      GLN  86   5.234  12.919 -12.669
  640   HE21  GLN  86          HE22      GLN  86   5.759  15.061 -14.135
  641   HE22  GLN  86          HE21      GLN  86   5.754  16.521 -13.157
  642    H    GLN  87           H        GLN  87   8.379  10.391  -9.599
  643    HA   GLN  87           HA       GLN  87   7.633  10.608  -6.818
  644    HB2  GLN  87           HB2      GLN  87   7.389   8.593  -8.051
  645    HB3  GLN  87           HB3      GLN  87   9.094   8.532  -8.495
  646    HG2  GLN  87           HG2      GLN  87   9.764   7.755  -6.426
  647    HG3  GLN  87           HG3      GLN  87   8.381   8.462  -5.572
  648   HE21  GLN  87          HE22      GLN  87   8.986   5.878  -8.168
  649   HE22  GLN  87          HE21      GLN  87   7.747   4.847  -7.478
  650    H    ILE  88           H        ILE  88  10.801  10.600  -8.481
  651    HA   ILE  88           HA       ILE  88  12.445  11.039  -6.155
  652    HB   ILE  88           HB       ILE  88  12.834  11.723  -9.092
  653   HG12  ILE  88          HG12      ILE  88  12.731   9.283  -8.481
  654   HG13  ILE  88          HG13      ILE  88  14.204   9.805  -9.271
  655   HG21  ILE  88          HG21      ILE  88  15.287  11.944  -8.484
  656   HG22  ILE  88          HG22      ILE  88  14.261  13.258  -7.923
  657   HG23  ILE  88          HG23      ILE  88  14.790  12.013  -6.781
  658   HD11  ILE  88          HD11      ILE  88  14.576   8.170  -7.430
  659   HD12  ILE  88          HD12      ILE  88  15.450   9.684  -7.173
  660   HD13  ILE  88          HD13      ILE  88  13.957   9.348  -6.263
  661    H    LEU  89           H        LEU  89  10.899  13.427  -8.455
  662    HA   LEU  89           HA       LEU  89  11.766  15.729  -7.057
  663    HB2  LEU  89           HB2      LEU  89  10.633  15.759  -9.302
  664    HB3  LEU  89           HB3      LEU  89   9.148  15.204  -8.554
  665    HG   LEU  89           HG       LEU  89   9.060  17.349  -7.213
  666   HD11  LEU  89          HD11      LEU  89  10.404  19.258  -8.020
  667   HD12  LEU  89          HD12      LEU  89  11.462  17.998  -7.360
  668   HD13  LEU  89          HD13      LEU  89  11.281  18.193  -9.121
  669   HD21  LEU  89          HD21      LEU  89   7.734  17.055  -9.250
  670   HD22  LEU  89          HD22      LEU  89   8.302  18.723  -9.108
  671   HD23  LEU  89          HD23      LEU  89   9.094  17.605 -10.243
  672    H    ASN  90           H        ASN  90   8.737  13.820  -6.481
  673    HA   ASN  90           HA       ASN  90   7.775  15.425  -4.392
  674    HB2  ASN  90           HB2      ASN  90   6.537  13.598  -5.565
  675    HB3  ASN  90           HB3      ASN  90   7.516  12.396  -4.720
  676   HD21  ASN  90          HD21      ASN  90   5.255  11.666  -4.094
  677   HD22  ASN  90          HD22      ASN  90   4.571  12.411  -2.660
  678    H    ARG  91           H        ARG  91   9.872  12.435  -3.972
  679    HA   ARG  91           HA       ARG  91  10.095  13.037  -1.129
  680    HB2  ARG  91           HB2      ARG  91  10.182  10.755  -1.928
  681    HB3  ARG  91           HB3      ARG  91  11.622  11.085  -2.875
  682    HG2  ARG  91           HG2      ARG  91  12.005   9.817  -0.759
  683    HG3  ARG  91           HG3      ARG  91  12.998  11.252  -0.932
  684    HD2  ARG  91           HD2      ARG  91  12.190  10.893   1.392
  685    HD3  ARG  91           HD3      ARG  91  11.762  12.446   0.749
  686    HE   ARG  91           HE       ARG  91   9.474  11.882   0.656
  687   HH11  ARG  91          HH11      ARG  91  11.226   9.089   1.904
  688   HH12  ARG  91          HH12      ARG  91   9.773   8.443   2.617
  689   HH21  ARG  91          HH21      ARG  91   7.830  11.105   1.509
  690   HH22  ARG  91          HH22      ARG  91   7.825   9.591   2.430
  691    H    LEU  92           H        LEU  92  12.055  14.062  -3.899
  692    HA   LEU  92           HA       LEU  92  14.267  14.997  -2.307
  693    HB2  LEU  92           HB2      LEU  92  14.345  14.526  -4.708
  694    HB3  LEU  92           HB3      LEU  92  13.197  15.809  -5.051
  695    HG   LEU  92           HG       LEU  92  15.505  16.268  -5.638
  696   HD11  LEU  92          HD11      LEU  92  14.658  18.279  -3.551
  697   HD12  LEU  92          HD12      LEU  92  15.647  18.487  -4.996
  698   HD13  LEU  92          HD13      LEU  92  13.922  18.121  -5.180
  699   HD21  LEU  92          HD21      LEU  92  16.059  16.427  -2.639
  700   HD22  LEU  92          HD22      LEU  92  16.671  15.174  -3.748
  701   HD23  LEU  92          HD23      LEU  92  17.184  16.863  -3.935
  702    H    ARG  93           H        ARG  93  11.306  16.672  -3.525
  703    HA   ARG  93           HA       ARG  93  11.876  19.172  -2.176
  704    HB2  ARG  93           HB2      ARG  93   9.207  17.982  -3.069
  705    HB3  ARG  93           HB3      ARG  93   9.422  19.603  -2.403
  706    HG2  ARG  93           HG2      ARG  93  11.119  20.027  -4.281
  707    HG3  ARG  93           HG3      ARG  93  10.549  18.531  -5.007
  708    HD2  ARG  93           HD2      ARG  93   9.195  20.067  -6.094
  709    HD3  ARG  93           HD3      ARG  93   8.158  19.611  -4.754
  710    HE   ARG  93           HE       ARG  93   8.453  21.730  -3.772
  711   HH11  ARG  93          HH11      ARG  93  10.562  21.595  -6.633
  712   HH12  ARG  93          HH12      ARG  93  10.812  23.349  -6.518
  713   HH21  ARG  93          HH21      ARG  93   8.935  23.963  -3.864
  714   HH22  ARG  93          HH22      ARG  93   9.996  24.516  -5.161
  715    H    GLU  94           H        GLU  94  10.071  16.254  -1.033
  716    HA   GLU  94           HA       GLU  94   9.432  17.379   1.510
  717    HB2  GLU  94           HB2      GLU  94   9.999  14.490   0.753
  718    HB3  GLU  94           HB3      GLU  94   9.338  15.010   2.310
  719    HG2  GLU  94           HG2      GLU  94   7.393  16.012   1.190
  720    HG3  GLU  94           HG3      GLU  94   7.986  15.463  -0.368
  721    H    ARG  95           H        ARG  95  12.354  15.475   0.568
  722    HA   ARG  95           HA       ARG  95  13.677  15.552   3.082
  723    HB2  ARG  95           HB2      ARG  95  14.378  14.082   1.251
  724    HB3  ARG  95           HB3      ARG  95  14.767  15.477   0.236
  725    HG2  ARG  95           HG2      ARG  95  16.542  16.145   1.876
  726    HG3  ARG  95           HG3      ARG  95  16.233  14.677   2.799
  727    HD2  ARG  95           HD2      ARG  95  16.877  14.492  -0.159
  728    HD3  ARG  95           HD3      ARG  95  18.152  14.931   0.962
  729    HE   ARG  95           HE       ARG  95  16.577  12.382   1.299
  730   HH11  ARG  95          HH11      ARG  95  19.846  13.922   1.363
  731   HH12  ARG  95          HH12      ARG  95  20.534  12.291   1.385
  732   HH21  ARG  95          HH21      ARG  95  17.709  10.547   1.607
  733   HH22  ARG  95          HH22      ARG  95  19.490  10.618   1.532
  734    H    VAL  96           H        VAL  96  13.836  17.921   0.389
  735    HA   VAL  96           HA       VAL  96  15.841  19.512   1.809
  736    HB   VAL  96           HB       VAL  96  14.393  19.994  -0.814
  737   HG11  VAL  96          HG11      VAL  96  16.280  21.624  -1.218
  738   HG12  VAL  96          HG12      VAL  96  15.158  22.163   0.033
  739   HG13  VAL  96          HG13      VAL  96  16.736  21.474   0.483
  740   HG21  VAL  96          HG21      VAL  96  15.968  18.017  -0.713
  741   HG22  VAL  96          HG22      VAL  96  16.534  19.286  -1.786
  742   HG23  VAL  96          HG23      VAL  96  17.245  19.120  -0.164
  743    H    SER  97           H        SER  97  12.312  19.948   1.167
  744    HA   SER  97           HA       SER  97  12.251  22.474   2.568
  745    HB2  SER  97           HB2      SER  97  10.012  20.545   1.860
  746    HB3  SER  97           HB3      SER  97   9.779  22.154   2.572
  747    HG   SER  97           HG       SER  97   9.640  22.200   0.265
  748    H    GLY  98           H        GLY  98  12.140  19.098   3.626
  749    HA2  GLY  98           HA2      GLY  98  12.925  18.520   5.769
  750    HA3  GLY  98           HA3      GLY  98  12.319  20.031   6.443
  751    H    SER  99           H        SER  99   9.997  18.411   4.438
  752    HA   SER  99           HA       SER  99   8.296  17.885   6.757
  753    HB2  SER  99           HB2      SER  99   6.593  17.335   5.026
  754    HB3  SER  99           HB3      SER  99   7.292  18.961   4.899
  755    HG   SER  99           HG       SER  99   7.162  17.880   2.865
  756    H    THR 100           H        THR 100  10.682  15.985   5.389
  757    HA   THR 100           HA       THR 100   9.454  13.356   5.629
  758    HB   THR 100           HB       THR 100  11.887  12.622   5.845
  759    HG1  THR 100           HG1      THR 100  13.439  14.166   5.551
  760   HG21  THR 100          HG21      THR 100  10.701  12.699   3.653
  761   HG22  THR 100          HG22      THR 100  11.234  14.382   3.456
  762   HG23  THR 100          HG23      THR 100  12.431  13.074   3.505
  763    H    ALA 101           H        ALA 101  10.648  15.668   7.988
  764    HA   ALA 101           HA       ALA 101  11.174  13.794  10.108
  765    HB1  ALA 101           HB1      ALA 101  11.204  15.810  11.525
  766    HB2  ALA 101           HB2      ALA 101  12.139  16.051  10.038
  767    HB3  ALA 101           HB3      ALA 101  10.516  16.770  10.199
  768    H    GLN 102           H        GLN 102   9.906  13.061  11.791
  769    HA   GLN 102           HA       GLN 102   7.003  13.045  11.300
  770    HB2  GLN 102           HB2      GLN 102   8.743  11.484  13.241
  771    HB3  GLN 102           HB3      GLN 102   7.007  11.256  13.017
  772    HG2  GLN 102           HG2      GLN 102   7.392  10.717  10.607
  773    HG3  GLN 102           HG3      GLN 102   9.135  10.820  10.877
  774   HE21  GLN 102          HE22      GLN 102  10.104   9.227  12.480
  775   HE22  GLN 102          HE21      GLN 102   9.283   7.687  12.672
  776    H    SER 103           H        SER 103   9.060  14.865  13.338
  777    HA   SER 103           HA       SER 103   6.777  15.753  15.049
  778    HB2  SER 103           HB2      SER 103   9.569  15.058  16.038
  779    HB3  SER 103           HB3      SER 103   8.283  15.804  17.005
  780    HG   SER 103           HG       SER 103   8.394  13.512  17.307
  781    H    ALA 104           H        ALA 104   6.965  17.849  15.917
  782    HA   ALA 104           HA       ALA 104   8.377  19.793  14.280
  783    HB1  ALA 104           HB1      ALA 104   7.211  21.432  15.689
  784    HB2  ALA 104           HB2      ALA 104   6.087  20.193  15.106
  785    HB3  ALA 104           HB3      ALA 104   6.679  20.140  16.785
  Start of MODEL    3
    1    H1   SER   1           H1       SER   1   0.849 -13.092  -3.410
    2    H2   SER   1           H2       SER   1   0.019 -14.481  -3.656
    3    H3   SER   1           H3       SER   1   0.750 -13.732  -4.916
    4    HA   SER   1           HA       SER   1  -1.605 -13.355  -5.024
    5    HB2  SER   1           HB2      SER   1  -1.296 -12.094  -2.266
    6    HB3  SER   1           HB3      SER   1  -2.783 -12.179  -3.237
    7    HG   SER   1           HG       SER   1  -2.664 -13.888  -1.696
    8    H    VAL   2           H        VAL   2  -2.500 -11.390  -5.854
    9    HA   VAL   2           HA       VAL   2  -0.413  -9.363  -6.470
   10    HB   VAL   2           HB       VAL   2  -1.827  -8.703  -8.333
   11   HG11  VAL   2          HG11      VAL   2  -1.547 -10.693  -9.688
   12   HG12  VAL   2          HG12      VAL   2  -0.163 -10.514  -8.598
   13   HG13  VAL   2          HG13      VAL   2  -1.421 -11.719  -8.247
   14   HG21  VAL   2          HG21      VAL   2  -3.726 -10.951  -7.523
   15   HG22  VAL   2          HG22      VAL   2  -4.075  -9.209  -7.403
   16   HG23  VAL   2          HG23      VAL   2  -3.809  -9.954  -8.985
   17    H    SER   3           H        SER   3  -3.035  -9.495  -4.317
   18    HA   SER   3           HA       SER   3  -3.903  -6.733  -4.550
   19    HB2  SER   3           HB2      SER   3  -5.278  -8.635  -3.639
   20    HB3  SER   3           HB3      SER   3  -4.276  -8.572  -2.171
   21    HG   SER   3           HG       SER   3  -6.213  -7.276  -2.038
   22    H    ILE   4           H        ILE   4  -3.671  -5.095  -2.937
   23    HA   ILE   4           HA       ILE   4  -0.880  -4.711  -2.202
   24    HB   ILE   4           HB       ILE   4  -1.419  -2.477  -1.659
   25   HG12  ILE   4          HG12      ILE   4  -3.504  -2.586  -0.476
   26   HG13  ILE   4          HG13      ILE   4  -3.587  -1.434  -1.790
   27   HG21  ILE   4          HG21      ILE   4  -2.851  -3.254  -4.229
   28   HG22  ILE   4          HG22      ILE   4  -2.193  -1.662  -3.816
   29   HG23  ILE   4          HG23      ILE   4  -1.104  -3.042  -4.011
   30   HD11  ILE   4          HD11      ILE   4  -4.916  -4.168  -1.707
   31   HD12  ILE   4          HD12      ILE   4  -5.685  -2.580  -1.651
   32   HD13  ILE   4          HD13      ILE   4  -4.896  -3.111  -3.144
   33    H    LEU   5           H        LEU   5  -0.083  -4.032  -0.172
   34    HA   LEU   5           HA       LEU   5  -1.314  -5.423   2.143
   35    HB2  LEU   5           HB2      LEU   5   1.418  -4.134   1.794
   36    HB3  LEU   5           HB3      LEU   5   0.887  -5.026   3.213
   37    HG   LEU   5           HG       LEU   5   1.281  -6.197   0.426
   38   HD11  LEU   5          HD11      LEU   5   3.373  -5.619   1.592
   39   HD12  LEU   5          HD12      LEU   5   2.853  -6.556   3.011
   40   HD13  LEU   5          HD13      LEU   5   3.171  -7.375   1.463
   41   HD21  LEU   5          HD21      LEU   5   0.505  -7.563   3.043
   42   HD22  LEU   5          HD22      LEU   5  -0.495  -7.438   1.575
   43   HD23  LEU   5          HD23      LEU   5   0.984  -8.397   1.548
   44    H    ARG   6           H        ARG   6  -1.309  -4.384   4.259
   45    HA   ARG   6           HA       ARG   6  -2.646  -1.802   4.210
   46    HB2  ARG   6           HB2      ARG   6  -1.669  -3.545   6.519
   47    HB3  ARG   6           HB3      ARG   6  -2.643  -2.084   6.703
   48    HG2  ARG   6           HG2      ARG   6  -4.458  -3.100   5.331
   49    HG3  ARG   6           HG3      ARG   6  -3.501  -4.577   5.167
   50    HD2  ARG   6           HD2      ARG   6  -5.108  -4.950   6.898
   51    HD3  ARG   6           HD3      ARG   6  -3.511  -4.828   7.655
   52    HE   ARG   6           HE       ARG   6  -4.871  -2.266   7.598
   53   HH11  ARG   6          HH11      ARG   6  -4.901  -5.279   9.390
   54   HH12  ARG   6          HH12      ARG   6  -5.542  -4.528  10.827
   55   HH21  ARG   6          HH21      ARG   6  -5.665  -1.364   9.476
   56   HH22  ARG   6          HH22      ARG   6  -5.955  -2.365  10.868
   57    H    SER   7           H        SER   7   0.667  -2.668   4.595
   58    HA   SER   7           HA       SER   7   1.430   0.175   5.083
   59    HB2  SER   7           HB2      SER   7   2.669  -2.254   6.435
   60    HB3  SER   7           HB3      SER   7   3.261  -0.587   6.555
   61    HG   SER   7           HG       SER   7   1.930  -1.168   8.345
   62    H    SER   8           H        SER   8   3.525   0.756   4.290
   63    HA   SER   8           HA       SER   8   4.910  -1.122   2.461
   64    HB2  SER   8           HB2      SER   8   3.205  -0.000   1.084
   65    HB3  SER   8           HB3      SER   8   3.841   1.583   1.570
   66    HG   SER   8           HG       SER   8   4.634   0.690  -0.495
   67    H    VAL   9           H        VAL   9   6.986  -0.517   1.882
   68    HA   VAL   9           HA       VAL   9   8.287   1.657   3.487
   69    HB   VAL   9           HB       VAL   9  10.312   0.293   3.621
   70   HG11  VAL   9          HG11      VAL   9   7.895  -1.140   4.775
   71   HG12  VAL   9          HG12      VAL   9   9.573  -1.222   5.353
   72   HG13  VAL   9          HG13      VAL   9   8.675   0.302   5.467
   73   HG21  VAL   9          HG21      VAL   9   8.653  -2.018   2.523
   74   HG22  VAL   9          HG22      VAL   9   9.970  -1.194   1.658
   75   HG23  VAL   9          HG23      VAL   9  10.314  -2.092   3.141
   76    H    ASN  10           H        ASN  10   7.264   1.329   0.534
   77    HA   ASN  10           HA       ASN  10   9.226   1.267  -1.363
   78    HB2  ASN  10           HB2      ASN  10   6.830   1.484  -1.828
   79    HB3  ASN  10           HB3      ASN  10   6.796   3.122  -1.176
   80   HD21  ASN  10          HD22      ASN  10   7.683   4.890  -2.492
   81   HD22  ASN  10          HD21      ASN  10   8.024   4.581  -4.184
   82    H    HIS  11           H        HIS  11   8.437   4.205   0.540
   83    HA   HIS  11           HA       HIS  11  10.149   5.905  -1.012
   84    HB2  HIS  11           HB2      HIS  11   8.852   6.295   1.697
   85    HB3  HIS  11           HB3      HIS  11   9.711   7.557   0.807
   86    HD2  HIS  11           HD2      HIS  11   6.503   7.606   1.474
   87    HE1  HIS  11           HE1      HIS  11   6.035   7.184  -2.742
   88    HE2  HIS  11           HE2      HIS  11   4.869   7.852  -0.578
   89    H    ARG  12           H        ARG  12  11.053   3.715   1.555
   90    HA   ARG  12           HA       ARG  12  13.551   4.983   2.291
   91    HB2  ARG  12           HB2      ARG  12  12.863   2.015   2.084
   92    HB3  ARG  12           HB3      ARG  12  14.291   2.692   2.869
   93    HG2  ARG  12           HG2      ARG  12  12.815   3.924   4.476
   94    HG3  ARG  12           HG3      ARG  12  11.402   3.141   3.745
   95    HD2  ARG  12           HD2      ARG  12  12.418   0.911   4.290
   96    HD3  ARG  12           HD3      ARG  12  13.737   1.755   5.130
   97    HE   ARG  12           HE       ARG  12  11.337   2.743   6.222
   98   HH11  ARG  12          HH11      ARG  12  12.994  -0.351   6.182
   99   HH12  ARG  12          HH12      ARG  12  12.278  -0.852   7.690
  100   HH21  ARG  12          HH21      ARG  12  10.469   2.037   8.143
  101   HH22  ARG  12          HH22      ARG  12  10.893   0.474   8.771
  102    H    GLU  13           H        GLU  13  12.679   2.817  -0.414
  103    HA   GLU  13           HA       GLU  13  15.376   2.682  -1.493
  104    HB2  GLU  13           HB2      GLU  13  12.662   2.132  -2.755
  105    HB3  GLU  13           HB3      GLU  13  14.225   1.771  -3.498
  106    HG2  GLU  13           HG2      GLU  13  14.775   0.270  -1.585
  107    HG3  GLU  13           HG3      GLU  13  13.188   0.586  -0.885
  108    H    VAL  14           H        VAL  14  12.606   4.878  -2.008
  109    HA   VAL  14           HA       VAL  14  13.835   6.335  -4.192
  110    HB   VAL  14           HB       VAL  14  11.700   7.330  -2.269
  111   HG11  VAL  14          HG11      VAL  14  12.710   9.130  -3.635
  112   HG12  VAL  14          HG12      VAL  14  12.498   8.146  -5.090
  113   HG13  VAL  14          HG13      VAL  14  11.078   8.778  -4.212
  114   HG21  VAL  14          HG21      VAL  14  10.953   5.215  -3.366
  115   HG22  VAL  14          HG22      VAL  14  10.052   6.611  -3.944
  116   HG23  VAL  14          HG23      VAL  14  11.352   5.908  -4.948
  117    H    ASP  15           H        ASP  15  13.743   6.872  -0.626
  118    HA   ASP  15           HA       ASP  15  15.297   9.253  -0.577
  119    HB2  ASP  15           HB2      ASP  15  13.939   8.282   1.284
  120    HB3  ASP  15           HB3      ASP  15  15.145   7.012   1.482
  121    H    GLU  16           H        GLU  16  16.310   5.798  -0.374
  122    HA   GLU  16           HA       GLU  16  19.121   6.231  -0.307
  123    HB2  GLU  16           HB2      GLU  16  18.082   4.090   0.240
  124    HB3  GLU  16           HB3      GLU  16  17.454   3.929  -1.403
  125    HG2  GLU  16           HG2      GLU  16  19.719   3.763  -2.317
  126    HG3  GLU  16           HG3      GLU  16  20.413   4.079  -0.717
  127    H    ALA  17           H        ALA  17  16.934   5.871  -3.184
  128    HA   ALA  17           HA       ALA  17  19.053   6.033  -5.076
  129    HB1  ALA  17           HB1      ALA  17  16.105   6.781  -5.374
  130    HB2  ALA  17           HB2      ALA  17  17.242   6.478  -6.700
  131    HB3  ALA  17           HB3      ALA  17  16.799   5.159  -5.599
  132    H    ILE  18           H        ILE  18  17.003   8.600  -3.612
  133    HA   ILE  18           HA       ILE  18  18.148  10.831  -4.994
  134    HB   ILE  18           HB       ILE  18  16.676  10.450  -2.386
  135   HG12  ILE  18          HG12      ILE  18  16.057  12.087  -4.888
  136   HG13  ILE  18          HG13      ILE  18  15.567  10.410  -4.667
  137   HG21  ILE  18          HG21      ILE  18  18.215  12.230  -1.785
  138   HG22  ILE  18          HG22      ILE  18  17.895  13.089  -3.306
  139   HG23  ILE  18          HG23      ILE  18  16.634  12.938  -2.075
  140   HD11  ILE  18          HD11      ILE  18  13.697  11.831  -4.168
  141   HD12  ILE  18          HD12      ILE  18  14.235  11.069  -2.659
  142   HD13  ILE  18          HD13      ILE  18  14.616  12.777  -2.998
  143    H    ASP  19           H        ASP  19  19.137   9.335  -1.841
  144    HA   ASP  19           HA       ASP  19  21.386  11.051  -1.528
  145    HB2  ASP  19           HB2      ASP  19  20.144   9.266   0.083
  146    HB3  ASP  19           HB3      ASP  19  21.506   8.276  -0.401
  147    H    ASN  20           H        ASN  20  21.118   7.910  -3.241
  148    HA   ASN  20           HA       ASN  20  23.901   7.626  -3.835
  149    HB2  ASN  20           HB2      ASN  20  22.253   5.797  -4.036
  150    HB3  ASN  20           HB3      ASN  20  21.428   6.660  -5.335
  151   HD21  ASN  20          HD22      ASN  20  24.497   5.030  -4.455
  152   HD22  ASN  20          HD21      ASN  20  24.975   4.739  -6.117
  153    H    ILE  21           H        ILE  21  21.287   9.353  -5.640
  154    HA   ILE  21           HA       ILE  21  23.003  10.281  -7.773
  155    HB   ILE  21           HB       ILE  21  20.314  11.171  -6.678
  156   HG12  ILE  21          HG12      ILE  21  21.102  10.120  -9.431
  157   HG13  ILE  21          HG13      ILE  21  20.663   9.045  -8.102
  158   HG21  ILE  21          HG21      ILE  21  20.209  12.731  -8.685
  159   HG22  ILE  21          HG22      ILE  21  21.283  13.254  -7.413
  160   HG23  ILE  21          HG23      ILE  21  21.964  12.493  -8.871
  161   HD11  ILE  21          HD11      ILE  21  18.836  11.132  -9.355
  162   HD12  ILE  21          HD12      ILE  21  18.724   9.372  -9.498
  163   HD13  ILE  21          HD13      ILE  21  18.442  10.148  -7.925
  164    H    LEU  22           H        LEU  22  22.047  11.730  -4.649
  165    HA   LEU  22           HA       LEU  22  23.411  14.174  -4.856
  166    HB2  LEU  22           HB2      LEU  22  21.717  13.339  -3.139
  167    HB3  LEU  22           HB3      LEU  22  23.006  12.388  -2.419
  168    HG   LEU  22           HG       LEU  22  24.242  14.553  -1.977
  169   HD11  LEU  22          HD11      LEU  22  22.800  16.571  -1.888
  170   HD12  LEU  22          HD12      LEU  22  23.003  16.026  -3.556
  171   HD13  LEU  22          HD13      LEU  22  21.484  15.692  -2.694
  172   HD21  LEU  22          HD21      LEU  22  21.503  14.136  -0.706
  173   HD22  LEU  22          HD22      LEU  22  23.012  13.316  -0.240
  174   HD23  LEU  22          HD23      LEU  22  22.858  15.060  -0.002
  175    H    ARG  23           H        ARG  23  24.658  11.030  -3.620
  176    HA   ARG  23           HA       ARG  23  27.341  11.973  -3.166
  177    HB2  ARG  23           HB2      ARG  23  25.901   9.709  -2.451
  178    HB3  ARG  23           HB3      ARG  23  26.914   9.060  -3.721
  179    HG2  ARG  23           HG2      ARG  23  28.134   8.713  -1.737
  180    HG3  ARG  23           HG3      ARG  23  28.910  10.119  -2.473
  181    HD2  ARG  23           HD2      ARG  23  28.664  10.570  -0.118
  182    HD3  ARG  23           HD3      ARG  23  27.516  11.596  -0.957
  183    HE   ARG  23           HE       ARG  23  25.709  10.350  -0.087
  184   HH11  ARG  23          HH12      ARG  23  28.687   8.771   0.923
  185   HH12  ARG  23          HH11      ARG  23  27.851   7.790   2.094
  186   HH21  ARG  23          HH21      ARG  23  24.736   9.099   1.366
  187   HH22  ARG  23          HH22      ARG  23  25.655   7.980   2.355
  188    H    TYR  24           H        TYR  24  25.921  10.112  -5.896
  189    HA   TYR  24           HA       TYR  24  28.260   9.760  -7.412
  190    HB2  TYR  24           HB2      TYR  24  26.267   8.549  -7.921
  191    HB3  TYR  24           HB3      TYR  24  25.334  10.024  -8.123
  192    HD1  TYR  24           HD2      TYR  24  28.415   8.441  -9.639
  193    HD2  TYR  24           HD1      TYR  24  24.756  10.652 -10.277
  194    HE1  TYR  24           HE2      TYR  24  28.831   8.440 -12.091
  195    HE2  TYR  24           HE1      TYR  24  25.172  10.630 -12.722
  196    HH   TYR  24           HH       TYR  24  28.060   9.088 -14.174
  197    H    THR  25           H        THR  25  25.947  12.526  -7.554
  198    HA   THR  25           HA       THR  25  27.581  13.872  -9.589
  199    HB   THR  25           HB       THR  25  25.983  15.645  -9.506
  200    HG1  THR  25           HG1      THR  25  24.548  14.234  -7.518
  201   HG21  THR  25          HG21      THR  25  24.517  12.978  -9.439
  202   HG22  THR  25          HG22      THR  25  23.918  14.496 -10.132
  203   HG23  THR  25          HG23      THR  25  25.326  13.694 -10.849
  204    H    ASN  26           H        ASN  26  27.900  13.647  -6.232
  205    HA   ASN  26           HA       ASN  26  28.938  14.793  -4.623
  206    HB2  ASN  26           HB2      ASN  26  30.860  14.380  -6.161
  207    HB3  ASN  26           HB3      ASN  26  30.628  15.992  -6.849
  208   HD21  ASN  26          HD22      ASN  26  32.982  16.081  -6.075
  209   HD22  ASN  26          HD21      ASN  26  33.222  16.622  -4.421
  210    H    SER  27           H        SER  27  26.663  15.724  -4.691
  211    HA   SER  27           HA       SER  27  26.784  18.716  -4.896
  212    HB2  SER  27           HB2      SER  27  24.445  16.904  -5.583
  213    HB3  SER  27           HB3      SER  27  24.460  18.680  -5.658
  214    HG   SER  27           HG       SER  27  25.526  16.824  -7.380
  215    H    THR  28           H        THR  28  25.372  19.976  -3.641
  216    HA   THR  28           HA       THR  28  24.721  18.833  -0.977
  217    HB   THR  28           HB       THR  28  24.111  21.076  -0.342
  218    HG1  THR  28           HG1      THR  28  24.390  22.735  -2.013
  219   HG21  THR  28          HG21      THR  28  26.603  21.341  -2.068
  220   HG22  THR  28          HG22      THR  28  26.171  22.286  -0.627
  221   HG23  THR  28          HG23      THR  28  26.587  20.568  -0.464
  222    H    GLU  29           H        GLU  29  22.503  19.063  -0.080
  223    HA   GLU  29           HA       GLU  29  20.534  18.058  -1.930
  224    HB2  GLU  29           HB2      GLU  29  20.322  19.097   0.927
  225    HB3  GLU  29           HB3      GLU  29  18.980  18.407   0.013
  226    HG2  GLU  29           HG2      GLU  29  20.447  16.363  -0.400
  227    HG3  GLU  29           HG3      GLU  29  21.550  17.012   0.815
  228    H    GLN  30           H        GLN  30  21.138  21.370  -0.724
  229    HA   GLN  30           HA       GLN  30  18.847  22.476  -2.073
  230    HB2  GLN  30           HB2      GLN  30  19.816  24.630  -1.687
  231    HB3  GLN  30           HB3      GLN  30  19.907  23.635  -0.239
  232    HG2  GLN  30           HG2      GLN  30  22.332  23.232  -0.681
  233    HG3  GLN  30           HG3      GLN  30  22.231  24.230  -2.137
  234   HE21  GLN  30          HE22      GLN  30  24.130  25.149  -0.565
  235   HE22  GLN  30          HE21      GLN  30  23.585  26.505   0.410
  236    H    GLN  31           H        GLN  31  22.198  21.821  -3.253
  237    HA   GLN  31           HA       GLN  31  21.791  23.060  -5.832
  238    HB2  GLN  31           HB2      GLN  31  23.606  20.836  -4.843
  239    HB3  GLN  31           HB3      GLN  31  23.587  21.341  -6.535
  240    HG2  GLN  31           HG2      GLN  31  24.332  23.551  -6.027
  241    HG3  GLN  31           HG3      GLN  31  24.099  23.322  -4.298
  242   HE21  GLN  31          HE22      GLN  31  26.516  24.172  -4.560
  243   HE22  GLN  31          HE21      GLN  31  27.707  22.889  -4.643
  244    H    PHE  32           H        PHE  32  21.141  19.685  -4.666
  245    HA   PHE  32           HA       PHE  32  20.267  18.841  -7.292
  246    HB2  PHE  32           HB2      PHE  32  21.162  17.303  -5.575
  247    HB3  PHE  32           HB3      PHE  32  19.755  17.606  -4.571
  248    HD1  PHE  32           HD2      PHE  32  19.095  17.207  -8.225
  249    HD2  PHE  32           HD1      PHE  32  19.592  15.120  -4.473
  250    HE1  PHE  32           HE2      PHE  32  17.973  15.236  -9.173
  251    HE2  PHE  32           HE1      PHE  32  18.509  13.125  -5.475
  252    HZ   PHE  32           HZ       PHE  32  17.650  13.194  -7.798
  253    H    LEU  33           H        LEU  33  18.441  20.001  -4.407
  254    HA   LEU  33           HA       LEU  33  15.862  19.789  -5.583
  255    HB2  LEU  33           HB2      LEU  33  16.357  20.135  -3.210
  256    HB3  LEU  33           HB3      LEU  33  16.950  21.753  -3.525
  257    HG   LEU  33           HG       LEU  33  14.686  21.553  -2.479
  258   HD11  LEU  33          HD11      LEU  33  14.560  23.025  -5.132
  259   HD12  LEU  33          HD12      LEU  33  13.631  23.344  -3.664
  260   HD13  LEU  33          HD13      LEU  33  15.378  23.621  -3.670
  261   HD21  LEU  33          HD21      LEU  33  12.732  21.008  -3.807
  262   HD22  LEU  33          HD22      LEU  33  13.726  20.660  -5.227
  263   HD23  LEU  33          HD23      LEU  33  13.834  19.623  -3.777
  264    H    GLU  34           H        GLU  34  18.162  22.552  -5.682
  265    HA   GLU  34           HA       GLU  34  16.553  24.213  -7.330
  266    HB2  GLU  34           HB2      GLU  34  18.498  24.978  -6.021
  267    HB3  GLU  34           HB3      GLU  34  19.585  24.100  -7.110
  268    HG2  GLU  34           HG2      GLU  34  18.868  25.527  -8.993
  269    HG3  GLU  34           HG3      GLU  34  17.693  26.336  -7.952
  270    H    ALA  35           H        ALA  35  19.018  21.793  -8.306
  271    HA   ALA  35           HA       ALA  35  18.769  22.232 -11.122
  272    HB1  ALA  35           HB1      ALA  35  20.639  21.024 -10.060
  273    HB2  ALA  35           HB2      ALA  35  19.547  19.705  -9.585
  274    HB3  ALA  35           HB3      ALA  35  19.865  20.024 -11.305
  275    H    MET  36           H        MET  36  16.859  20.125  -8.906
  276    HA   MET  36           HA       MET  36  15.272  18.978 -11.062
  277    HB2  MET  36           HB2      MET  36  15.113  19.021  -8.036
  278    HB3  MET  36           HB3      MET  36  13.811  18.338  -9.003
  279    HG2  MET  36           HG2      MET  36  16.698  17.507  -9.385
  280    HG3  MET  36           HG3      MET  36  15.646  16.716  -8.233
  281    HE1  MET  36           HE1      MET  36  12.914  16.221  -9.278
  282    HE2  MET  36           HE2      MET  36  13.094  14.737 -10.241
  283    HE3  MET  36           HE3      MET  36  13.968  14.921  -8.702
  284    H    GLU  37           H        GLU  37  14.704  21.791  -8.852
  285    HA   GLU  37           HA       GLU  37  12.110  22.410  -9.963
  286    HB2  GLU  37           HB2      GLU  37  14.228  24.169  -8.652
  287    HB3  GLU  37           HB3      GLU  37  12.625  24.732  -9.096
  288    HG2  GLU  37           HG2      GLU  37  13.247  22.553  -7.076
  289    HG3  GLU  37           HG3      GLU  37  12.764  24.200  -6.715
  290    H    SER  38           H        SER  38  15.413  23.447 -10.911
  291    HA   SER  38           HA       SER  38  14.615  25.222 -13.001
  292    HB2  SER  38           HB2      SER  38  16.826  25.132 -11.843
  293    HB3  SER  38           HB3      SER  38  17.197  23.634 -12.725
  294    HG   SER  38           HG       SER  38  18.033  25.588 -13.726
  295    H    THR  39           H        THR  39  14.731  21.724 -12.962
  296    HA   THR  39           HA       THR  39  14.522  21.603 -15.952
  297    HB   THR  39           HB       THR  39  15.214  19.251 -15.752
  298    HG1  THR  39           HG1      THR  39  15.989  19.813 -13.120
  299   HG21  THR  39          HG21      THR  39  16.941  20.909 -16.211
  300   HG22  THR  39          HG22      THR  39  17.150  21.240 -14.486
  301   HG23  THR  39          HG23      THR  39  17.573  19.648 -15.126
  302    H    GLY  40           H        GLY  40  12.436  21.645 -13.373
  303    HA2  GLY  40           HA2      GLY  40  10.214  21.102 -13.220
  304    HA3  GLY  40           HA3      GLY  40  10.245  20.580 -14.912
  305    H    GLY  41           H        GLY  41  12.303  19.181 -12.364
  306    HA2  GLY  41           HA2      GLY  41  12.231  17.146 -11.285
  307    HA3  GLY  41           HA3      GLY  41  10.622  16.824 -11.933
  308    H    ARG  42           H        ARG  42  13.074  17.553 -14.337
  309    HA   ARG  42           HA       ARG  42  13.001  14.738 -15.306
  310    HB2  ARG  42           HB2      ARG  42  14.000  17.389 -16.395
  311    HB3  ARG  42           HB3      ARG  42  14.622  15.896 -17.078
  312    HG2  ARG  42           HG2      ARG  42  11.646  16.442 -16.892
  313    HG3  ARG  42           HG3      ARG  42  12.636  16.941 -18.266
  314    HD2  ARG  42           HD2      ARG  42  13.348  14.550 -18.619
  315    HD3  ARG  42           HD3      ARG  42  12.314  14.068 -17.288
  316    HE   ARG  42           HE       ARG  42  10.401  14.372 -18.540
  317   HH11  ARG  42          HH21      ARG  42  13.062  15.570 -20.502
  318   HH12  ARG  42          HH22      ARG  42  12.064  15.667 -21.931
  319   HH21  ARG  42          HH12      ARG  42   9.217  14.511 -20.394
  320   HH22  ARG  42          HH11      ARG  42   9.952  15.069 -21.868
  321    H    VAL  43           H        VAL  43  14.049  13.589 -13.720
  322    HA   VAL  43           HA       VAL  43  16.370  14.304 -12.338
  323    HB   VAL  43           HB       VAL  43  15.595  11.474 -13.146
  324   HG11  VAL  43          HG11      VAL  43  17.871  11.528 -12.190
  325   HG12  VAL  43          HG12      VAL  43  17.300  12.515 -10.822
  326   HG13  VAL  43          HG13      VAL  43  16.744  10.841 -11.021
  327   HG21  VAL  43          HG21      VAL  43  13.731  12.666 -11.973
  328   HG22  VAL  43          HG22      VAL  43  14.434  11.383 -10.985
  329   HG23  VAL  43          HG23      VAL  43  14.858  13.072 -10.653
  330    H    ARG  44           H        ARG  44  16.287  12.729 -15.596
  331    HA   ARG  44           HA       ARG  44  19.111  12.322 -15.760
  332    HB2  ARG  44           HB2      ARG  44  18.772  11.929 -18.089
  333    HB3  ARG  44           HB3      ARG  44  17.490  11.170 -17.164
  334    HG2  ARG  44           HG2      ARG  44  15.951  13.102 -17.810
  335    HG3  ARG  44           HG3      ARG  44  17.261  13.711 -18.836
  336    HD2  ARG  44           HD2      ARG  44  15.934  10.981 -19.116
  337    HD3  ARG  44           HD3      ARG  44  15.572  12.401 -20.084
  338    HE   ARG  44           HE       ARG  44  17.795  12.368 -21.042
  339   HH11  ARG  44          HH21      ARG  44  16.963   9.357 -19.423
  340   HH12  ARG  44          HH22      ARG  44  18.161   8.461 -20.312
  341   HH21  ARG  44          HH11      ARG  44  19.298  11.156 -22.111
  342   HH22  ARG  44          HH12      ARG  44  19.456   9.460 -21.772
  343    H    ILE  45           H        ILE  45  17.177  15.190 -16.591
  344    HA   ILE  45           HA       ILE  45  19.498  16.615 -17.698
  345    HB   ILE  45           HB       ILE  45  16.787  17.774 -16.948
  346   HG12  ILE  45          HG12      ILE  45  17.720  16.628 -19.627
  347   HG13  ILE  45          HG13      ILE  45  16.485  15.935 -18.584
  348   HG21  ILE  45          HG21      ILE  45  18.709  19.402 -17.291
  349   HG22  ILE  45          HG22      ILE  45  18.920  18.747 -18.917
  350   HG23  ILE  45          HG23      ILE  45  17.426  19.596 -18.469
  351   HD11  ILE  45          HD11      ILE  45  15.369  17.051 -20.362
  352   HD12  ILE  45          HD12      ILE  45  15.094  18.004 -18.892
  353   HD13  ILE  45          HD13      ILE  45  16.267  18.547 -20.114
  354    H    ALA  46           H        ALA  46  17.724  16.498 -14.586
  355    HA   ALA  46           HA       ALA  46  19.162  18.587 -13.305
  356    HB1  ALA  46           HB1      ALA  46  18.330  17.577 -11.229
  357    HB2  ALA  46           HB2      ALA  46  17.050  17.569 -12.467
  358    HB3  ALA  46           HB3      ALA  46  17.922  16.074 -12.079
  359    H    ILE  47           H        ILE  47  19.891  15.004 -13.334
  360    HA   ILE  47           HA       ILE  47  22.366  15.425 -11.907
  361    HB   ILE  47           HB       ILE  47  22.957  13.178 -12.353
  362   HG12  ILE  47          HG12      ILE  47  20.654  13.039 -14.318
  363   HG13  ILE  47          HG13      ILE  47  22.364  12.931 -14.707
  364   HG21  ILE  47          HG21      ILE  47  19.968  13.249 -11.793
  365   HG22  ILE  47          HG22      ILE  47  21.176  12.119 -11.165
  366   HG23  ILE  47          HG23      ILE  47  21.203  13.814 -10.655
  367   HD11  ILE  47          HD11      ILE  47  21.452  10.711 -14.742
  368   HD12  ILE  47          HD12      ILE  47  22.503  10.834 -13.314
  369   HD13  ILE  47          HD13      ILE  47  20.726  10.902 -13.138
  370    H    ALA  48           H        ALA  48  21.657  15.354 -15.464
  371    HA   ALA  48           HA       ALA  48  24.321  15.665 -16.322
  372    HB1  ALA  48           HB1      ALA  48  23.274  16.753 -18.294
  373    HB2  ALA  48           HB2      ALA  48  22.413  15.282 -17.810
  374    HB3  ALA  48           HB3      ALA  48  21.741  16.872 -17.409
  375    H    LYS  49           H        LYS  49  22.033  18.283 -15.248
  376    HA   LYS  49           HA       LYS  49  23.976  20.407 -15.533
  377    HB2  LYS  49           HB2      LYS  49  21.378  20.150 -13.960
  378    HB3  LYS  49           HB3      LYS  49  22.317  21.630 -13.977
  379    HG2  LYS  49           HG2      LYS  49  21.078  20.275 -16.415
  380    HG3  LYS  49           HG3      LYS  49  20.441  21.677 -15.575
  381    HD2  LYS  49           HD2      LYS  49  23.028  21.536 -17.181
  382    HD3  LYS  49           HD3      LYS  49  21.527  22.327 -17.648
  383    HE2  LYS  49           HE2      LYS  49  21.745  23.892 -15.710
  384    HE3  LYS  49           HE3      LYS  49  23.286  23.145 -15.283
  385    HZ1  LYS  49           HZ1      LYS  49  24.160  23.850 -17.472
  386    HZ2  LYS  49           HZ2      LYS  49  22.732  24.551 -17.861
  387    HZ3  LYS  49           HZ3      LYS  49  23.625  25.139 -16.629
  388    H    LEU  50           H        LEU  50  23.280  18.255 -12.779
  389    HA   LEU  50           HA       LEU  50  25.107  19.657 -10.997
  390    HB2  LEU  50           HB2      LEU  50  24.049  16.810 -10.953
  391    HB3  LEU  50           HB3      LEU  50  24.992  17.559  -9.670
  392    HG   LEU  50           HG       LEU  50  22.242  18.515 -10.527
  393   HD11  LEU  50          HD11      LEU  50  22.261  16.260  -9.456
  394   HD12  LEU  50          HD12      LEU  50  23.139  16.947  -8.070
  395   HD13  LEU  50          HD13      LEU  50  21.493  17.480  -8.446
  396   HD21  LEU  50          HD21      LEU  50  22.311  19.790  -8.414
  397   HD22  LEU  50          HD22      LEU  50  24.009  19.338  -8.196
  398   HD23  LEU  50          HD23      LEU  50  23.519  20.360  -9.564
  399    H    LEU  51           H        LEU  51  25.608  17.126 -13.465
  400    HA   LEU  51           HA       LEU  51  28.409  16.740 -12.703
  401    HB2  LEU  51           HB2      LEU  51  26.736  15.896 -15.092
  402    HB3  LEU  51           HB3      LEU  51  28.437  15.475 -14.916
  403    HG   LEU  51           HG       LEU  51  26.323  14.700 -12.853
  404   HD11  LEU  51          HD11      LEU  51  25.795  13.667 -15.020
  405   HD12  LEU  51          HD12      LEU  51  27.465  13.071 -15.156
  406   HD13  LEU  51          HD13      LEU  51  26.400  12.463 -13.872
  407   HD21  LEU  51          HD21      LEU  51  27.999  13.026 -12.158
  408   HD22  LEU  51          HD22      LEU  51  29.151  13.693 -13.333
  409   HD23  LEU  51          HD23      LEU  51  28.608  14.672 -11.954
  410    H    SER  52           H        SER  52  26.743  18.743 -15.192
  411    HA   SER  52           HA       SER  52  29.292  19.852 -16.133
  412    HB2  SER  52           HB2      SER  52  27.990  21.109 -17.698
  413    HB3  SER  52           HB3      SER  52  27.457  19.420 -17.682
  414    HG   SER  52           HG       SER  52  25.681  20.872 -17.676
  415    H    LYS  53           H        LYS  53  28.142  20.283 -13.308
  416    HA   LYS  53           HA       LYS  53  27.531  22.986 -12.802
  417    HB2  LYS  53           HB2      LYS  53  27.102  20.986 -11.428
  418    HB3  LYS  53           HB3      LYS  53  28.829  20.872 -11.043
  419    HG2  LYS  53           HG2      LYS  53  28.680  22.945  -9.741
  420    HG3  LYS  53           HG3      LYS  53  27.016  23.209 -10.294
  421    HD2  LYS  53           HD2      LYS  53  27.016  22.305  -8.025
  422    HD3  LYS  53           HD3      LYS  53  26.284  21.148  -9.144
  423    HE2  LYS  53           HE2      LYS  53  28.485  19.897  -9.217
  424    HE3  LYS  53           HE3      LYS  53  29.138  21.056  -8.052
  425    HZ1  LYS  53           HZ1      LYS  53  26.910  19.125  -7.560
  426    HZ2  LYS  53           HZ2      LYS  53  28.381  19.117  -6.865
  427    HZ3  LYS  53           HZ3      LYS  53  27.318  20.319  -6.507
  428    H    GLN  54           H        GLN  54  30.660  21.629 -13.432
  429    HA   GLN  54           HA       GLN  54  32.732  22.473 -13.593
  430    HB2  GLN  54           HB2      GLN  54  31.249  23.954 -15.075
  431    HB3  GLN  54           HB3      GLN  54  31.498  25.223 -13.873
  432    HG2  GLN  54           HG2      GLN  54  33.977  25.031 -14.253
  433    HG3  GLN  54           HG3      GLN  54  33.679  23.729 -15.404
  434   HE21  GLN  54          HE22      GLN  54  34.942  25.198 -16.883
  435   HE22  GLN  54          HE21      GLN  54  34.021  26.457 -17.732
  436    H    THR  55           H        THR  55  32.187  21.925 -11.038
  437    HA   THR  55           HA       THR  55  33.513  24.055  -9.410
  438    HB   THR  55           HB       THR  55  32.425  22.811  -7.459
  439    HG1  THR  55           HG1      THR  55  31.837  20.892  -8.460
  440   HG21  THR  55          HG21      THR  55  30.675  24.112  -9.568
  441   HG22  THR  55          HG22      THR  55  30.204  23.813  -7.877
  442   HG23  THR  55          HG23      THR  55  31.540  24.921  -8.251
  443    H    SER  56           H        SER  56  34.782  21.800 -11.091
  444    HA   SER  56           HA       SER  56  36.717  20.916  -9.017
  445    HB2  SER  56           HB2      SER  56  34.927  19.152  -9.328
  446    HB3  SER  56           HB3      SER  56  35.488  18.968 -11.001
  447    HG   SER  56           HG       SER  56  36.490  17.474  -9.517
  448    H    GLY  57           H        GLY  57  38.657  19.902  -9.992
  449    HA2  GLY  57           HA2      GLY  57  40.485  19.903 -11.348
  450    HA3  GLY  57           HA3      GLY  57  39.370  20.050 -12.709
  451    H    GLY  58           H        GLY  58  39.306  22.707 -10.471
  452    HA2  GLY  58           HA2      GLY  58  39.953  24.911 -10.643
  453    HA3  GLY  58           HA3      GLY  58  41.308  24.405 -11.652
  454    H    SER  59           H        SER  59  38.162  23.474 -12.824
  455    HA   SER  59           HA       SER  59  38.523  24.995 -15.248
  456    HB2  SER  59           HB2      SER  59  37.537  22.731 -15.142
  457    HB3  SER  59           HB3      SER  59  36.106  23.401 -14.332
  458    HG   SER  59           HG       SER  59  36.213  23.145 -16.807
  459    H    GLY  60           H        GLY  60  37.245  26.601 -16.162
  460    HA2  GLY  60           HA2      GLY  60  35.017  27.884 -14.886
  461    HA3  GLY  60           HA3      GLY  60  36.484  28.833 -14.635
  462    H    GLY  61           H        GLY  61  34.118  29.581 -16.127
  463    HA2  GLY  61           HA2      GLY  61  33.627  30.796 -18.032
  464    HA3  GLY  61           HA3      GLY  61  35.266  30.551 -18.616
  465    H    SER  62           H        SER  62  33.493  30.550 -20.513
  466    HA   SER  62           HA       SER  62  33.392  27.793 -21.536
  467    HB2  SER  62           HB2      SER  62  31.233  28.157 -20.278
  468    HB3  SER  62           HB3      SER  62  30.847  29.460 -21.414
  469    HG   SER  62           HG       SER  62  29.956  27.386 -22.016
  470    H    LYS  63           H        LYS  63  32.889  27.698 -23.813
  471    HA   LYS  63           HA       LYS  63  32.937  30.144 -25.424
  472    HB2  LYS  63           HB2      LYS  63  34.954  29.483 -26.733
  473    HB3  LYS  63           HB3      LYS  63  35.260  29.980 -25.089
  474    HG2  LYS  63           HG2      LYS  63  36.727  28.236 -25.477
  475    HG3  LYS  63           HG3      LYS  63  35.497  27.541 -24.432
  476    HD2  LYS  63           HD2      LYS  63  34.458  26.423 -26.377
  477    HD3  LYS  63           HD3      LYS  63  35.624  27.177 -27.470
  478    HE2  LYS  63           HE2      LYS  63  36.335  25.286 -25.175
  479    HE3  LYS  63           HE3      LYS  63  36.065  24.763 -26.839
  480    HZ1  LYS  63           HZ1      LYS  63  38.420  25.078 -26.432
  481    HZ2  LYS  63           HZ2      LYS  63  37.938  26.180 -27.529
  482    HZ3  LYS  63           HZ3      LYS  63  38.223  26.629 -25.979
  483    H    LEU  64           H        LEU  64  32.786  29.710 -27.767
  484    HA   LEU  64           HA       LEU  64  30.631  27.807 -28.238
  485    HB2  LEU  64           HB2      LEU  64  32.145  29.633 -30.149
  486    HB3  LEU  64           HB3      LEU  64  30.693  28.726 -30.552
  487    HG   LEU  64           HG       LEU  64  30.859  30.961 -28.481
  488   HD11  LEU  64          HD11      LEU  64  29.512  32.234 -30.088
  489   HD12  LEU  64          HD12      LEU  64  31.048  31.740 -30.817
  490   HD13  LEU  64          HD13      LEU  64  29.554  30.874 -31.233
  491   HD21  LEU  64          HD21      LEU  64  28.458  29.365 -29.482
  492   HD22  LEU  64          HD22      LEU  64  29.106  29.382 -27.822
  493   HD23  LEU  64          HD23      LEU  64  28.372  30.838 -28.491
  494    H    GLY  65           H        GLY  65  30.551  26.103 -29.730
  495    HA2  GLY  65           HA2      GLY  65  32.658  25.026 -31.265
  496    HA3  GLY  65           HA3      GLY  65  32.768  24.298 -29.659
  497    H    GLY  66           H        GLY  66  32.423  22.360 -31.082
  498    HA2  GLY  66           HA2      GLY  66  31.092  20.488 -31.424
  499    HA3  GLY  66           HA3      GLY  66  29.706  21.368 -30.795
  500    H    SER  67           H        SER  67  28.663  20.078 -32.529
  501    HA   SER  67           HA       SER  67  28.435  21.587 -35.068
  502    HB2  SER  67           HB2      SER  67  28.601  19.525 -36.406
  503    HB3  SER  67           HB3      SER  67  30.109  19.903 -35.567
  504    HG   SER  67           HG       SER  67  29.548  17.669 -35.393
  505    H    GLY  68           H        GLY  68  26.576  20.936 -36.373
  506    HA2  GLY  68           HA2      GLY  68  24.160  20.619 -34.758
  507    HA3  GLY  68           HA3      GLY  68  24.266  20.938 -36.482
  508    H    GLY  69           H        GLY  69  22.379  19.443 -36.357
  509    HA2  GLY  69           HA2      GLY  69  21.585  17.516 -37.374
  510    HA3  GLY  69           HA3      GLY  69  23.187  16.794 -37.305
  511    H    SER  70           H        SER  70  22.339  17.841 -34.187
  512    HA   SER  70           HA       SER  70  22.330  15.276 -33.076
  513    HB2  SER  70           HB2      SER  70  21.162  17.799 -31.848
  514    HB3  SER  70           HB3      SER  70  21.761  16.372 -30.978
  515    HG   SER  70           HG       SER  70  23.339  18.049 -31.059
  516    H    ARG  71           H        ARG  71  19.594  16.873 -34.472
  517    HA   ARG  71           HA       ARG  71  17.544  15.376 -32.973
  518    HB2  ARG  71           HB2      ARG  71  17.347  17.291 -35.335
  519    HB3  ARG  71           HB3      ARG  71  15.972  16.581 -34.487
  520    HG2  ARG  71           HG2      ARG  71  16.713  17.660 -32.360
  521    HG3  ARG  71           HG3      ARG  71  18.063  18.406 -33.223
  522    HD2  ARG  71           HD2      ARG  71  16.339  20.047 -33.025
  523    HD3  ARG  71           HD3      ARG  71  16.441  19.560 -34.727
  524    HE   ARG  71           HE       ARG  71  14.461  17.997 -33.307
  525   HH11  ARG  71          HH11      ARG  71  14.846  21.205 -34.667
  526   HH12  ARG  71          HH12      ARG  71  13.133  21.411 -34.910
  527   HH21  ARG  71          HH21      ARG  71  12.288  18.314 -33.659
  528   HH22  ARG  71          HH22      ARG  71  11.724  19.808 -34.344
  529    H    LYS  72           H        LYS  72  19.567  14.323 -35.343
  530    HA   LYS  72           HA       LYS  72  17.846  12.995 -37.184
  531    HB2  LYS  72           HB2      LYS  72  19.785  11.799 -37.913
  532    HB3  LYS  72           HB3      LYS  72  20.250  13.457 -37.551
  533    HG2  LYS  72           HG2      LYS  72  21.131  12.644 -35.306
  534    HG3  LYS  72           HG3      LYS  72  20.765  10.989 -35.821
  535    HD2  LYS  72           HD2      LYS  72  22.274  11.262 -37.778
  536    HD3  LYS  72           HD3      LYS  72  22.640  12.922 -37.260
  537    HE2  LYS  72           HE2      LYS  72  23.547  12.043 -35.111
  538    HE3  LYS  72           HE3      LYS  72  23.191  10.392 -35.639
  539    HZ1  LYS  72           HZ1      LYS  72  25.092  12.242 -37.000
  540    HZ2  LYS  72           HZ2      LYS  72  25.517  10.970 -36.069
  541    HZ3  LYS  72           HZ3      LYS  72  24.761  10.716 -37.492
  542    H    ASP  73           H        ASP  73  17.551  10.707 -37.516
  543    HA   ASP  73           HA       ASP  73  16.333   9.399 -35.262
  544    HB2  ASP  73           HB2      ASP  73  15.535   9.177 -37.580
  545    HB3  ASP  73           HB3      ASP  73  17.037   8.367 -38.035
  546    H    LEU  74           H        LEU  74  17.012   7.763 -33.951
  547    HA   LEU  74           HA       LEU  74  19.686   6.510 -34.312
  548    HB2  LEU  74           HB2      LEU  74  18.710   8.019 -31.850
  549    HB3  LEU  74           HB3      LEU  74  20.104   6.947 -31.844
  550    HG   LEU  74           HG       LEU  74  19.914   9.477 -33.539
  551   HD11  LEU  74          HD11      LEU  74  21.383   8.948 -30.923
  552   HD12  LEU  74          HD12      LEU  74  21.467  10.434 -31.898
  553   HD13  LEU  74          HD13      LEU  74  19.943   9.971 -31.125
  554   HD21  LEU  74          HD21      LEU  74  22.260   7.627 -32.894
  555   HD22  LEU  74          HD22      LEU  74  21.500   7.838 -34.488
  556   HD23  LEU  74          HD23      LEU  74  22.375   9.182 -33.746
  557    H    SER  75           H        SER  75  19.926   4.499 -33.402
  558    HA   SER  75           HA       SER  75  17.593   2.901 -33.116
  559    HB2  SER  75           HB2      SER  75  20.457   2.199 -32.376
  560    HB3  SER  75           HB3      SER  75  19.141   1.064 -32.739
  561    HG   SER  75           HG       SER  75  20.505   1.419 -34.566
  562    H    VAL  76           H        VAL  76  19.097   4.777 -30.699
  563    HA   VAL  76           HA       VAL  76  18.643   3.096 -28.405
  564    HB   VAL  76           HB       VAL  76  20.300   4.970 -28.643
  565   HG11  VAL  76          HG11      VAL  76  17.963   6.800 -27.952
  566   HG12  VAL  76          HG12      VAL  76  19.671   7.248 -28.116
  567   HG13  VAL  76          HG13      VAL  76  18.760   6.723 -29.538
  568   HG21  VAL  76          HG21      VAL  76  19.814   3.911 -26.464
  569   HG22  VAL  76          HG22      VAL  76  20.311   5.604 -26.335
  570   HG23  VAL  76          HG23      VAL  76  18.603   5.173 -26.136
  571    H    LYS  77           H        LYS  77  16.411   4.871 -30.288
  572    HA   LYS  77           HA       LYS  77  14.558   5.778 -28.341
  573    HB2  LYS  77           HB2      LYS  77  13.017   6.061 -30.174
  574    HB3  LYS  77           HB3      LYS  77  14.636   6.526 -30.693
  575    HG2  LYS  77           HG2      LYS  77  14.863   4.234 -31.782
  576    HG3  LYS  77           HG3      LYS  77  13.165   3.937 -31.368
  577    HD2  LYS  77           HD2      LYS  77  12.478   5.900 -32.702
  578    HD3  LYS  77           HD3      LYS  77  14.182   6.237 -33.095
  579    HE2  LYS  77           HE2      LYS  77  14.364   3.991 -34.164
  580    HE3  LYS  77           HE3      LYS  77  12.654   3.690 -33.818
  581    HZ1  LYS  77           HZ1      LYS  77  13.691   5.903 -35.526
  582    HZ2  LYS  77           HZ2      LYS  77  13.007   4.525 -36.092
  583    HZ3  LYS  77           HZ3      LYS  77  12.101   5.592 -35.247
  584    H    GLY  78           H        GLY  78  12.491   5.057 -27.735
  585    HA2  GLY  78           HA2      GLY  78  11.258   2.583 -28.195
  586    HA3  GLY  78           HA3      GLY  78  12.360   2.330 -26.837
  587    H    MET  79           H        MET  79  10.129   1.818 -25.908
  588    HA   MET  79           HA       MET  79   8.410   4.039 -25.116
  589    HB2  MET  79           HB2      MET  79   8.586   1.159 -24.138
  590    HB3  MET  79           HB3      MET  79   7.366   2.330 -23.619
  591    HG2  MET  79           HG2      MET  79   6.605   2.596 -25.958
  592    HG3  MET  79           HG3      MET  79   7.792   1.394 -26.484
  593    HE1  MET  79           HE1      MET  79   4.699   1.265 -27.203
  594    HE2  MET  79           HE2      MET  79   5.889   0.052 -27.733
  595    HE3  MET  79           HE3      MET  79   4.375  -0.465 -26.958
  596    H    LEU  80           H        LEU  80   8.153   4.942 -23.064
  597    HA   LEU  80           HA       LEU  80  10.362   4.643 -21.081
  598    HB2  LEU  80           HB2      LEU  80   9.315   7.228 -22.309
  599    HB3  LEU  80           HB3      LEU  80  10.359   7.166 -20.898
  600    HG   LEU  80           HG       LEU  80  11.151   6.146 -23.664
  601   HD11  LEU  80          HD11      LEU  80  11.907   8.707 -22.197
  602   HD12  LEU  80          HD12      LEU  80  12.559   8.159 -23.756
  603   HD13  LEU  80          HD13      LEU  80  10.849   8.588 -23.621
  604   HD21  LEU  80          HD21      LEU  80  12.785   6.576 -21.117
  605   HD22  LEU  80          HD22      LEU  80  12.425   5.011 -21.881
  606   HD23  LEU  80          HD23      LEU  80  13.451   6.175 -22.717
  607    H    TYR  81           H        TYR  81   9.897   5.536 -18.994
  608    HA   TYR  81           HA       TYR  81   7.204   4.982 -18.050
  609    HB2  TYR  81           HB2      TYR  81   9.614   6.130 -16.598
  610    HB3  TYR  81           HB3      TYR  81   8.148   5.530 -15.843
  611    HD1  TYR  81           HD1      TYR  81   7.476   3.044 -16.318
  612    HD2  TYR  81           HD2      TYR  81  11.441   4.640 -16.935
  613    HE1  TYR  81           HE1      TYR  81   8.416   0.741 -16.232
  614    HE2  TYR  81           HE2      TYR  81  12.375   2.332 -16.855
  615    HH   TYR  81           HH       TYR  81  10.315  -0.562 -16.359
  616    H    ASP  82           H        ASP  82   6.046   6.482 -16.573
  617    HA   ASP  82           HA       ASP  82   6.284   9.365 -17.215
  618    HB2  ASP  82           HB2      ASP  82   4.638   8.309 -18.790
  619    HB3  ASP  82           HB3      ASP  82   3.674   7.813 -17.397
  620    H    SER  83           H        SER  83   5.019  10.706 -15.750
  621    HA   SER  83           HA       SER  83   4.750  11.594 -13.710
  622    HB2  SER  83           HB2      SER  83   3.527   8.927 -12.970
  623    HB3  SER  83           HB3      SER  83   3.328  10.456 -12.098
  624    HG   SER  83           HG       SER  83   1.583  10.039 -13.565
  625    H    ASP  84           H        ASP  84   6.905   8.927 -13.751
  626    HA   ASP  84           HA       ASP  84   7.733   8.826 -11.058
  627    HB2  ASP  84           HB2      ASP  84   9.687   7.735 -11.851
  628    HB3  ASP  84           HB3      ASP  84   8.342   7.212 -12.856
  629    H    SER  85           H        SER  85   8.617  11.152 -13.594
  630    HA   SER  85           HA       SER  85  10.683  12.620 -12.317
  631    HB2  SER  85           HB2      SER  85   9.732  14.510 -13.741
  632    HB3  SER  85           HB3      SER  85  10.150  13.023 -14.612
  633    HG   SER  85           HG       SER  85   8.059  13.831 -15.215
  634    H    GLN  86           H        GLN  86   7.123  12.986 -12.097
  635    HA   GLN  86           HA       GLN  86   7.232  15.163 -10.171
  636    HB2  GLN  86           HB2      GLN  86   4.947  13.301 -10.953
  637    HB3  GLN  86           HB3      GLN  86   4.802  14.739  -9.943
  638    HG2  GLN  86           HG2      GLN  86   5.628  16.150 -11.823
  639    HG3  GLN  86           HG3      GLN  86   5.735  14.719 -12.849
  640   HE21  GLN  86          HE22      GLN  86   3.386  16.778 -11.021
  641   HE22  GLN  86          HE21      GLN  86   2.014  16.299 -12.005
  642    H    GLN  87           H        GLN  87   6.991  11.594  -9.877
  643    HA   GLN  87           HA       GLN  87   6.467  11.568  -7.068
  644    HB2  GLN  87           HB2      GLN  87   6.185   9.740  -8.824
  645    HB3  GLN  87           HB3      GLN  87   7.903   9.404  -8.663
  646    HG2  GLN  87           HG2      GLN  87   5.863   9.316  -6.377
  647    HG3  GLN  87           HG3      GLN  87   6.327   7.922  -7.353
  648   HE21  GLN  87          HE22      GLN  87   8.860   7.507  -7.414
  649   HE22  GLN  87          HE21      GLN  87   9.622   7.670  -5.841
  650    H    ILE  88           H        ILE  88   9.637  11.291  -8.836
  651    HA   ILE  88           HA       ILE  88  11.228  11.323  -6.424
  652    HB   ILE  88           HB       ILE  88  12.010  12.219  -9.226
  653   HG12  ILE  88          HG12      ILE  88  11.343   9.891  -9.349
  654   HG13  ILE  88          HG13      ILE  88  13.078  10.022  -9.490
  655   HG21  ILE  88          HG21      ILE  88  13.580  13.092  -7.549
  656   HG22  ILE  88          HG22      ILE  88  13.724  11.500  -6.799
  657   HG23  ILE  88          HG23      ILE  88  14.349  11.771  -8.436
  658   HD11  ILE  88          HD11      ILE  88  11.548   9.140  -7.011
  659   HD12  ILE  88          HD12      ILE  88  12.432   8.094  -8.132
  660   HD13  ILE  88          HD13      ILE  88  13.325   9.246  -7.135
  661    H    LEU  89           H        LEU  89  10.146  14.015  -8.600
  662    HA   LEU  89           HA       LEU  89  11.439  16.063  -7.148
  663    HB2  LEU  89           HB2      LEU  89  10.378  16.321  -9.385
  664    HB3  LEU  89           HB3      LEU  89   8.785  16.102  -8.665
  665    HG   LEU  89           HG       LEU  89   9.125  18.238  -7.365
  666   HD11  LEU  89          HD11      LEU  89  11.555  18.546  -9.186
  667   HD12  LEU  89          HD12      LEU  89  10.899  19.780  -8.102
  668   HD13  LEU  89          HD13      LEU  89  11.618  18.324  -7.415
  669   HD21  LEU  89          HD21      LEU  89   8.803  19.713  -9.319
  670   HD22  LEU  89          HD22      LEU  89   9.369  18.417 -10.396
  671   HD23  LEU  89          HD23      LEU  89   7.867  18.215  -9.474
  672    H    ASN  90           H        ASN  90   8.128  14.705  -6.580
  673    HA   ASN  90           HA       ASN  90   7.502  16.324  -4.327
  674    HB2  ASN  90           HB2      ASN  90   5.855  14.991  -5.569
  675    HB3  ASN  90           HB3      ASN  90   6.640  13.490  -5.083
  676   HD21  ASN  90          HD22      ASN  90   4.775  16.300  -3.825
  677   HD22  ASN  90          HD21      ASN  90   4.243  15.440  -2.390
  678    H    ARG  91           H        ARG  91   9.196  13.086  -4.406
  679    HA   ARG  91           HA       ARG  91   9.485  13.024  -1.541
  680    HB2  ARG  91           HB2      ARG  91   9.760  11.122  -3.398
  681    HB3  ARG  91           HB3      ARG  91  11.430  11.637  -3.414
  682    HG2  ARG  91           HG2      ARG  91  11.187   9.765  -1.881
  683    HG3  ARG  91           HG3      ARG  91  11.591  11.195  -0.944
  684    HD2  ARG  91           HD2      ARG  91   9.825   9.674   0.054
  685    HD3  ARG  91           HD3      ARG  91   9.351  11.359  -0.082
  686    HE   ARG  91           HE       ARG  91   8.489   9.140  -1.948
  687   HH11  ARG  91          HH11      ARG  91   7.408  11.942  -0.156
  688   HH12  ARG  91          HH12      ARG  91   6.245  12.388  -1.401
  689   HH21  ARG  91          HH21      ARG  91   7.005   9.808  -3.493
  690   HH22  ARG  91          HH22      ARG  91   5.850  11.052  -3.048
  691    H    LEU  92           H        LEU  92  11.621  14.363  -4.074
  692    HA   LEU  92           HA       LEU  92  13.699  15.084  -2.214
  693    HB2  LEU  92           HB2      LEU  92  13.888  14.818  -4.738
  694    HB3  LEU  92           HB3      LEU  92  13.021  16.344  -4.906
  695    HG   LEU  92           HG       LEU  92  14.888  17.476  -3.608
  696   HD11  LEU  92          HD11      LEU  92  15.841  15.502  -2.418
  697   HD12  LEU  92          HD12      LEU  92  16.280  14.788  -3.990
  698   HD13  LEU  92          HD13      LEU  92  17.053  16.290  -3.434
  699   HD21  LEU  92          HD21      LEU  92  14.822  17.471  -6.074
  700   HD22  LEU  92          HD22      LEU  92  16.495  17.387  -5.487
  701   HD23  LEU  92          HD23      LEU  92  15.703  15.921  -6.101
  702    H    ARG  93           H        ARG  93  10.797  16.903  -3.375
  703    HA   ARG  93           HA       ARG  93  11.392  19.369  -1.984
  704    HB2  ARG  93           HB2      ARG  93   8.801  18.027  -2.876
  705    HB3  ARG  93           HB3      ARG  93   8.811  19.559  -2.000
  706    HG2  ARG  93           HG2      ARG  93  10.085  20.664  -3.730
  707    HG3  ARG  93           HG3      ARG  93  10.308  19.153  -4.628
  708    HD2  ARG  93           HD2      ARG  93   7.896  18.978  -5.018
  709    HD3  ARG  93           HD3      ARG  93   7.600  20.414  -4.011
  710    HE   ARG  93           HE       ARG  93   9.432  21.172  -6.037
  711   HH11  ARG  93          HH11      ARG  93   6.020  20.293  -5.929
  712   HH12  ARG  93          HH12      ARG  93   5.660  21.276  -7.315
  713   HH21  ARG  93          HH21      ARG  93   8.930  22.404  -7.675
  714   HH22  ARG  93          HH22      ARG  93   7.291  22.467  -8.301
  715    H    GLU  94           H        GLU  94   9.598  16.435  -0.903
  716    HA   GLU  94           HA       GLU  94   9.159  17.380   1.761
  717    HB2  GLU  94           HB2      GLU  94   9.428  14.565   0.643
  718    HB3  GLU  94           HB3      GLU  94   8.923  14.918   2.291
  719    HG2  GLU  94           HG2      GLU  94   7.462  15.970  -0.173
  720    HG3  GLU  94           HG3      GLU  94   7.060  14.467   0.645
  721    H    ARG  95           H        ARG  95  11.847  15.283   0.522
  722    HA   ARG  95           HA       ARG  95  13.212  15.026   2.981
  723    HB2  ARG  95           HB2      ARG  95  13.565  13.766   0.786
  724    HB3  ARG  95           HB3      ARG  95  14.529  15.147   0.231
  725    HG2  ARG  95           HG2      ARG  95  16.039  14.761   2.275
  726    HG3  ARG  95           HG3      ARG  95  15.064  13.319   2.614
  727    HD2  ARG  95           HD2      ARG  95  15.626  12.725   0.093
  728    HD3  ARG  95           HD3      ARG  95  16.959  13.863   0.315
  729    HE   ARG  95           HE       ARG  95  16.440  11.351   1.893
  730   HH11  ARG  95          HH11      ARG  95  18.961  13.713   1.084
  731   HH12  ARG  95          HH12      ARG  95  20.187  12.434   1.247
  732   HH21  ARG  95          HH21      ARG  95  18.114   9.974   2.171
  733   HH22  ARG  95          HH22      ARG  95  19.766  10.586   1.901
  734    H    VAL  96           H        VAL  96  13.632  17.571   0.500
  735    HA   VAL  96           HA       VAL  96  15.836  18.760   2.047
  736    HB   VAL  96           HB       VAL  96  14.661  19.629  -0.618
  737   HG11  VAL  96          HG11      VAL  96  17.283  20.317   0.792
  738   HG12  VAL  96          HG12      VAL  96  16.898  20.727  -0.893
  739   HG13  VAL  96          HG13      VAL  96  15.954  21.440   0.411
  740   HG21  VAL  96          HG21      VAL  96  16.787  18.476  -1.484
  741   HG22  VAL  96          HG22      VAL  96  16.941  17.747   0.140
  742   HG23  VAL  96          HG23      VAL  96  15.553  17.381  -0.875
  743    H    SER  97           H        SER  97  12.451  19.699   1.261
  744    HA   SER  97           HA       SER  97  12.856  22.219   2.784
  745    HB2  SER  97           HB2      SER  97  10.550  21.437   0.992
  746    HB3  SER  97           HB3      SER  97  10.874  23.021   1.714
  747    HG   SER  97           HG       SER  97  11.635  22.947  -0.444
  748    H    GLY  98           H        GLY  98  11.349  19.097   3.343
  749    HA2  GLY  98           HA2      GLY  98   9.151  19.882   4.952
  750    HA3  GLY  98           HA3      GLY  98  10.018  18.345   5.038
  751    H    SER  99           H        SER  99  12.562  19.931   5.772
  752    HA   SER  99           HA       SER  99  12.488  19.713   8.567
  753    HB2  SER  99           HB2      SER  99  14.358  21.431   6.895
  754    HB3  SER  99           HB3      SER  99  14.667  20.799   8.524
  755    HG   SER  99           HG       SER  99  15.647  19.485   6.915
  756    H    THR 100           H        THR 100  11.117  22.286   6.750
  757    HA   THR 100           HA       THR 100  11.371  24.411   8.692
  758    HB   THR 100           HB       THR 100  10.773  24.659   6.258
  759    HG1  THR 100           HG1      THR 100  10.474  26.397   7.596
  760   HG21  THR 100          HG21      THR 100   8.490  24.486   5.522
  761   HG22  THR 100          HG22      THR 100   8.968  22.898   6.144
  762   HG23  THR 100          HG23      THR 100   7.939  23.963   7.127
  763    H    ALA 101           H        ALA 101   9.359  21.545   8.615
  764    HA   ALA 101           HA       ALA 101   7.273  22.544  10.367
  765    HB1  ALA 101           HB1      ALA 101   6.896  20.744   8.721
  766    HB2  ALA 101           HB2      ALA 101   8.050  19.706   9.590
  767    HB3  ALA 101           HB3      ALA 101   6.533  20.201  10.367
  768    H    GLN 102           H        GLN 102   6.846  21.942  12.530
  769    HA   GLN 102           HA       GLN 102   9.176  21.835  14.259
  770    HB2  GLN 102           HB2      GLN 102   7.119  23.192  14.636
  771    HB3  GLN 102           HB3      GLN 102   6.217  21.700  14.939
  772    HG2  GLN 102           HG2      GLN 102   7.653  21.223  16.899
  773    HG3  GLN 102           HG3      GLN 102   8.640  22.646  16.539
  774   HE21  GLN 102          HE22      GLN 102   7.875  22.814  19.001
  775   HE22  GLN 102          HE21      GLN 102   6.435  23.802  19.218
  776    H    SER 103           H        SER 103   6.882  19.419  13.097
  777    HA   SER 103           HA       SER 103   7.256  17.438  15.105
  778    HB2  SER 103           HB2      SER 103   6.477  17.057  12.190
  779    HB3  SER 103           HB3      SER 103   6.221  15.904  13.514
  780    HG   SER 103           HG       SER 103   4.331  17.162  13.104
  781    H    ALA 104           H        ALA 104   8.405  15.512  15.148
  782    HA   ALA 104           HA       ALA 104  10.544  14.963  13.185
  783    HB1  ALA 104           HB1      ALA 104  11.054  15.334  16.172
  784    HB2  ALA 104           HB2      ALA 104  12.232  14.762  14.974
  785    HB3  ALA 104           HB3      ALA 104  11.612  16.420  14.875
  Start of MODEL    4
    1    H1   SER   1           H1       SER   1   7.427   0.131 -19.984
    2    H2   SER   1           H2       SER   1   7.344  -1.144 -18.955
    3    H3   SER   1           H3       SER   1   6.328  -1.057 -20.236
    4    HA   SER   1           HA       SER   1   5.261   0.907 -19.358
    5    HB2  SER   1           HB2      SER   1   5.228  -1.444 -17.416
    6    HB3  SER   1           HB3      SER   1   3.980  -0.190 -17.583
    7    HG   SER   1           HG       SER   1   3.479  -2.091 -18.796
    8    H    VAL   2           H        VAL   2   4.979   2.444 -17.670
    9    HA   VAL   2           HA       VAL   2   7.391   2.791 -15.905
   10    HB   VAL   2           HB       VAL   2   7.150   5.173 -16.170
   11   HG11  VAL   2          HG11      VAL   2   8.540   3.904 -17.773
   12   HG12  VAL   2          HG12      VAL   2   7.165   3.833 -18.897
   13   HG13  VAL   2          HG13      VAL   2   7.877   5.397 -18.456
   14   HG21  VAL   2          HG21      VAL   2   4.694   5.358 -16.526
   15   HG22  VAL   2          HG22      VAL   2   5.624   6.201 -17.766
   16   HG23  VAL   2          HG23      VAL   2   4.883   4.637 -18.145
   17    H    SER   3           H        SER   3   4.232   1.963 -15.463
   18    HA   SER   3           HA       SER   3   3.406   3.941 -13.533
   19    HB2  SER   3           HB2      SER   3   1.700   2.845 -14.755
   20    HB3  SER   3           HB3      SER   3   2.323   1.236 -14.348
   21    HG   SER   3           HG       SER   3   0.426   2.060 -13.112
   22    H    ILE   4           H        ILE   4   3.426   4.077 -11.432
   23    HA   ILE   4           HA       ILE   4   5.047   2.183  -9.857
   24    HB   ILE   4           HB       ILE   4   3.651   4.588  -8.700
   25   HG12  ILE   4          HG12      ILE   4   4.675   5.613 -10.600
   26   HG13  ILE   4          HG13      ILE   4   5.614   6.009  -9.181
   27   HG21  ILE   4          HG21      ILE   4   5.678   4.620  -7.245
   28   HG22  ILE   4          HG22      ILE   4   4.805   3.088  -7.142
   29   HG23  ILE   4          HG23      ILE   4   6.297   3.184  -8.092
   30   HD11  ILE   4          HD11      ILE   4   6.395   3.907 -11.258
   31   HD12  ILE   4          HD12      ILE   4   7.039   5.541 -11.126
   32   HD13  ILE   4          HD13      ILE   4   7.358   4.372  -9.833
   33    H    LEU   5           H        LEU   5   1.700   2.732 -10.591
   34    HA   LEU   5           HA       LEU   5   0.656   1.178  -8.314
   35    HB2  LEU   5           HB2      LEU   5  -0.505   2.108 -10.977
   36    HB3  LEU   5           HB3      LEU   5  -1.420   1.133  -9.836
   37    HG   LEU   5           HG       LEU   5  -0.177   3.774  -8.986
   38   HD11  LEU   5          HD11      LEU   5  -2.357   4.830  -9.421
   39   HD12  LEU   5          HD12      LEU   5  -1.631   4.227 -10.917
   40   HD13  LEU   5          HD13      LEU   5  -2.954   3.322 -10.152
   41   HD21  LEU   5          HD21      LEU   5  -0.964   2.241  -7.191
   42   HD22  LEU   5          HD22      LEU   5  -1.947   3.708  -7.282
   43   HD23  LEU   5          HD23      LEU   5  -2.567   2.186  -7.947
   44    H    ARG   6           H        ARG   6   1.755   0.472 -11.630
   45    HA   ARG   6           HA       ARG   6   1.100  -2.409 -11.357
   46    HB2  ARG   6           HB2      ARG   6   2.621  -0.886 -13.511
   47    HB3  ARG   6           HB3      ARG   6   2.243  -2.613 -13.556
   48    HG2  ARG   6           HG2      ARG   6  -0.191  -2.092 -13.408
   49    HG3  ARG   6           HG3      ARG   6   0.180  -0.361 -13.458
   50    HD2  ARG   6           HD2      ARG   6   1.258  -0.653 -15.669
   51    HD3  ARG   6           HD3      ARG   6   0.880  -2.371 -15.647
   52    HE   ARG   6           HE       ARG   6  -0.965  -0.118 -16.112
   53   HH11  ARG   6          HH11      ARG   6  -0.841  -3.570 -15.472
   54   HH12  ARG   6          HH12      ARG   6  -2.462  -3.822 -16.050
   55   HH21  ARG   6          HH21      ARG   6  -3.010  -0.520 -16.844
   56   HH22  ARG   6          HH22      ARG   6  -3.658  -2.134 -16.806
   57    H    SER   7           H        SER   7   4.003  -0.415 -11.107
   58    HA   SER   7           HA       SER   7   5.510  -2.730  -9.939
   59    HB2  SER   7           HB2      SER   7   6.560  -0.530 -11.758
   60    HB3  SER   7           HB3      SER   7   7.536  -1.772 -10.948
   61    HG   SER   7           HG       SER   7   6.987  -2.350 -13.126
   62    H    SER   8           H        SER   8   4.608  -1.960  -7.924
   63    HA   SER   8           HA       SER   8   5.239   0.680  -6.879
   64    HB2  SER   8           HB2      SER   8   4.272  -1.787  -5.388
   65    HB3  SER   8           HB3      SER   8   4.241  -0.111  -4.815
   66    HG   SER   8           HG       SER   8   2.992   0.066  -7.046
   67    H    VAL   9           H        VAL   9   6.652   1.249  -5.239
   68    HA   VAL   9           HA       VAL   9   8.726  -0.687  -4.351
   69    HB   VAL   9           HB       VAL   9  10.478   1.030  -4.600
   70   HG11  VAL   9          HG11      VAL   9  10.861   0.749  -6.975
   71   HG12  VAL   9          HG12      VAL   9  10.186  -0.745  -6.306
   72   HG13  VAL   9          HG13      VAL   9   9.155   0.347  -7.253
   73   HG21  VAL   9          HG21      VAL   9   8.490   2.582  -6.313
   74   HG22  VAL   9          HG22      VAL   9   9.073   3.085  -4.708
   75   HG23  VAL   9          HG23      VAL   9  10.202   2.958  -6.060
   76    H    ASN  10           H        ASN  10   9.805  -0.121  -2.378
   77    HA   ASN  10           HA       ASN  10   8.044   1.199  -0.453
   78    HB2  ASN  10           HB2      ASN  10   9.270  -0.923   0.020
   79    HB3  ASN  10           HB3      ASN  10  10.809  -0.083  -0.151
   80   HD21  ASN  10          HD22      ASN  10   7.831  -0.259   1.861
   81   HD22  ASN  10          HD21      ASN  10   8.596   0.473   3.264
   82    H    HIS  11           H        HIS  11   8.605   2.999   0.906
   83    HA   HIS  11           HA       HIS  11   9.745   5.278  -0.270
   84    HB2  HIS  11           HB2      HIS  11   8.295   5.451   1.643
   85    HB3  HIS  11           HB3      HIS  11   9.363   4.453   2.630
   86    HD2  HIS  11           HD2      HIS  11  10.162   7.719   0.587
   87    HE1  HIS  11           HE1      HIS  11  11.586   8.246   4.572
   88    HE2  HIS  11           HE2      HIS  11  11.443   9.304   2.268
   89    H    ARG  12           H        ARG  12  11.458   2.827   1.744
   90    HA   ARG  12           HA       ARG  12  13.927   4.265   1.966
   91    HB2  ARG  12           HB2      ARG  12  13.346   1.279   1.974
   92    HB3  ARG  12           HB3      ARG  12  14.903   1.988   2.407
   93    HG2  ARG  12           HG2      ARG  12  13.966   3.184   4.283
   94    HG3  ARG  12           HG3      ARG  12  12.317   2.710   3.865
   95    HD2  ARG  12           HD2      ARG  12  14.529   0.763   4.613
   96    HD3  ARG  12           HD3      ARG  12  13.314   1.404   5.739
   97    HE   ARG  12           HE       ARG  12  11.858   0.346   3.585
   98   HH11  ARG  12          HH11      ARG  12  13.982  -0.972   6.047
   99   HH12  ARG  12          HH12      ARG  12  13.206  -2.531   6.024
  100   HH21  ARG  12          HH21      ARG  12  10.921  -1.686   3.594
  101   HH22  ARG  12          HH22      ARG  12  11.511  -2.915   4.668
  102    H    GLU  13           H        GLU  13  12.686   2.334  -0.746
  103    HA   GLU  13           HA       GLU  13  15.270   2.215  -2.108
  104    HB2  GLU  13           HB2      GLU  13  12.432   1.754  -3.081
  105    HB3  GLU  13           HB3      GLU  13  13.863   1.535  -4.083
  106    HG2  GLU  13           HG2      GLU  13  13.371   0.054  -1.466
  107    HG3  GLU  13           HG3      GLU  13  12.959  -0.576  -3.056
  108    H    VAL  14           H        VAL  14  12.361   4.320  -2.318
  109    HA   VAL  14           HA       VAL  14  13.387   6.032  -4.412
  110    HB   VAL  14           HB       VAL  14  11.403   6.752  -2.211
  111   HG11  VAL  14          HG11      VAL  14  12.253   8.709  -3.533
  112   HG12  VAL  14          HG12      VAL  14  11.737   7.885  -5.023
  113   HG13  VAL  14          HG13      VAL  14  10.545   8.390  -3.811
  114   HG21  VAL  14          HG21      VAL  14  10.900   5.512  -4.956
  115   HG22  VAL  14          HG22      VAL  14  10.582   4.748  -3.384
  116   HG23  VAL  14          HG23      VAL  14   9.645   6.159  -3.876
  117    H    ASP  15           H        ASP  15  13.519   6.278  -0.826
  118    HA   ASP  15           HA       ASP  15  14.947   8.737  -0.711
  119    HB2  ASP  15           HB2      ASP  15  13.704   7.679   1.159
  120    HB3  ASP  15           HB3      ASP  15  14.925   6.399   1.237
  121    H    GLU  16           H        GLU  16  16.211   5.325  -0.668
  122    HA   GLU  16           HA       GLU  16  18.950   6.099  -0.708
  123    HB2  GLU  16           HB2      GLU  16  18.327   3.814  -0.150
  124    HB3  GLU  16           HB3      GLU  16  17.604   3.581  -1.744
  125    HG2  GLU  16           HG2      GLU  16  19.784   2.485  -1.588
  126    HG3  GLU  16           HG3      GLU  16  19.759   3.718  -2.842
  127    H    ALA  17           H        ALA  17  16.664   5.626  -3.500
  128    HA   ALA  17           HA       ALA  17  18.674   5.956  -5.470
  129    HB1  ALA  17           HB1      ALA  17  15.703   6.665  -5.562
  130    HB2  ALA  17           HB2      ALA  17  16.770   6.512  -6.977
  131    HB3  ALA  17           HB3      ALA  17  16.432   5.093  -5.973
  132    H    ILE  18           H        ILE  18  16.624   8.430  -3.825
  133    HA   ILE  18           HA       ILE  18  17.739  10.745  -5.140
  134    HB   ILE  18           HB       ILE  18  16.400  10.287  -2.448
  135   HG12  ILE  18          HG12      ILE  18  15.478  11.825  -4.913
  136   HG13  ILE  18          HG13      ILE  18  15.158  10.105  -4.687
  137   HG21  ILE  18          HG21      ILE  18  17.881  12.252  -2.127
  138   HG22  ILE  18          HG22      ILE  18  17.235  12.981  -3.615
  139   HG23  ILE  18          HG23      ILE  18  16.207  12.756  -2.195
  140   HD11  ILE  18          HD11      ILE  18  13.221  11.342  -4.028
  141   HD12  ILE  18          HD12      ILE  18  13.932  10.592  -2.585
  142   HD13  ILE  18          HD13      ILE  18  14.145  12.331  -2.890
  143    H    ASP  19           H        ASP  19  18.706   9.130  -2.061
  144    HA   ASP  19           HA       ASP  19  20.869  10.941  -1.604
  145    HB2  ASP  19           HB2      ASP  19  19.503   9.448  -0.003
  146    HB3  ASP  19           HB3      ASP  19  20.612   8.163  -0.440
  147    H    ASN  20           H        ASN  20  20.746   7.844  -3.367
  148    HA   ASN  20           HA       ASN  20  23.578   7.603  -3.834
  149    HB2  ASN  20           HB2      ASN  20  22.005   5.721  -4.083
  150    HB3  ASN  20           HB3      ASN  20  21.153   6.571  -5.374
  151   HD21  ASN  20          HD21      ASN  20  24.114   4.811  -4.533
  152   HD22  ASN  20          HD22      ASN  20  24.667   4.653  -6.191
  153    H    ILE  21           H        ILE  21  20.921   9.248  -5.693
  154    HA   ILE  21           HA       ILE  21  22.639  10.227  -7.787
  155    HB   ILE  21           HB       ILE  21  19.957  11.099  -6.659
  156   HG12  ILE  21          HG12      ILE  21  20.700  10.142  -9.459
  157   HG13  ILE  21          HG13      ILE  21  20.320   9.015  -8.161
  158   HG21  ILE  21          HG21      ILE  21  21.606  12.473  -8.822
  159   HG22  ILE  21          HG22      ILE  21  19.848  12.700  -8.656
  160   HG23  ILE  21          HG23      ILE  21  20.920  13.210  -7.362
  161   HD11  ILE  21          HD11      ILE  21  18.427  11.111  -9.280
  162   HD12  ILE  21          HD12      ILE  21  18.339   9.354  -9.486
  163   HD13  ILE  21          HD13      ILE  21  18.080  10.065  -7.881
  164    H    LEU  22           H        LEU  22  21.697  11.650  -4.624
  165    HA   LEU  22           HA       LEU  22  23.139  14.072  -4.806
  166    HB2  LEU  22           HB2      LEU  22  21.450  13.458  -3.103
  167    HB3  LEU  22           HB3      LEU  22  22.536  12.242  -2.454
  168    HG   LEU  22           HG       LEU  22  24.153  14.032  -1.800
  169   HD11  LEU  22          HD11      LEU  22  23.205  16.365  -1.679
  170   HD12  LEU  22          HD12      LEU  22  23.497  15.814  -3.332
  171   HD13  LEU  22          HD13      LEU  22  21.848  15.829  -2.696
  172   HD21  LEU  22          HD21      LEU  22  21.313  14.199  -0.709
  173   HD22  LEU  22          HD22      LEU  22  22.590  13.083  -0.188
  174   HD23  LEU  22          HD23      LEU  22  22.769  14.818   0.108
  175    H    ARG  23           H        ARG  23  24.271  10.887  -3.558
  176    HA   ARG  23           HA       ARG  23  27.021  11.618  -3.115
  177    HB2  ARG  23           HB2      ARG  23  25.498   9.028  -3.523
  178    HB3  ARG  23           HB3      ARG  23  27.260   9.017  -3.469
  179    HG2  ARG  23           HG2      ARG  23  27.317   9.960  -1.270
  180    HG3  ARG  23           HG3      ARG  23  25.571  10.232  -1.246
  181    HD2  ARG  23           HD2      ARG  23  26.555   7.413  -1.726
  182    HD3  ARG  23           HD3      ARG  23  26.733   8.083  -0.109
  183    HE   ARG  23           HE       ARG  23  24.244   8.647  -0.224
  184   HH11  ARG  23          HH11      ARG  23  25.343   5.635  -1.835
  185   HH12  ARG  23          HH12      ARG  23  23.704   4.990  -1.601
  186   HH21  ARG  23          HH22      ARG  23  22.552   7.597   0.165
  187   HH22  ARG  23          HH21      ARG  23  22.271   5.938  -0.421
  188    H    TYR  24           H        TYR  24  25.533  10.008  -5.994
  189    HA   TYR  24           HA       TYR  24  27.906   9.765  -7.502
  190    HB2  TYR  24           HB2      TYR  24  25.912   8.544  -8.065
  191    HB3  TYR  24           HB3      TYR  24  24.976  10.021  -8.246
  192    HD1  TYR  24           HD2      TYR  24  27.969   8.274  -9.724
  193    HD2  TYR  24           HD1      TYR  24  24.626  10.921 -10.383
  194    HE1  TYR  24           HE2      TYR  24  28.497   8.330 -12.155
  195    HE2  TYR  24           HE1      TYR  24  25.157  10.981 -12.818
  196    HH   TYR  24           HH       TYR  24  27.911   9.160 -14.220
  197    H    THR  25           H        THR  25  25.506  12.453  -7.534
  198    HA   THR  25           HA       THR  25  27.045  14.003  -9.474
  199    HB   THR  25           HB       THR  25  25.467  15.824  -8.985
  200    HG1  THR  25           HG1      THR  25  24.139  14.008  -7.276
  201   HG21  THR  25          HG21      THR  25  23.393  14.744  -9.734
  202   HG22  THR  25          HG22      THR  25  24.794  14.211 -10.681
  203   HG23  THR  25          HG23      THR  25  24.100  13.144  -9.437
  204    H    ASN  26           H        ASN  26  27.671  13.465  -6.192
  205    HA   ASN  26           HA       ASN  26  28.948  14.485  -4.639
  206    HB2  ASN  26           HB2      ASN  26  30.611  14.090  -6.426
  207    HB3  ASN  26           HB3      ASN  26  30.297  15.688  -7.087
  208   HD21  ASN  26          HD21      ASN  26  31.807  17.167  -6.524
  209   HD22  ASN  26          HD22      ASN  26  32.757  17.112  -5.038
  210    H    SER  27           H        SER  27  26.456  15.691  -5.017
  211    HA   SER  27           HA       SER  27  26.936  18.639  -4.945
  212    HB2  SER  27           HB2      SER  27  24.662  18.866  -5.745
  213    HB3  SER  27           HB3      SER  27  25.577  17.787  -6.812
  214    HG   SER  27           HG       SER  27  24.311  16.169  -6.271
  215    H    THR  28           H        THR  28  25.239  19.896  -3.750
  216    HA   THR  28           HA       THR  28  24.481  18.609  -1.149
  217    HB   THR  28           HB       THR  28  25.930  20.509  -0.818
  218    HG1  THR  28           HG1      THR  28  24.590  21.496   0.663
  219   HG21  THR  28          HG21      THR  28  25.211  22.805  -1.277
  220   HG22  THR  28          HG22      THR  28  25.385  21.919  -2.799
  221   HG23  THR  28          HG23      THR  28  23.768  22.223  -2.123
  222    H    GLU  29           H        GLU  29  22.310  18.913  -0.346
  223    HA   GLU  29           HA       GLU  29  20.470  18.351  -2.459
  224    HB2  GLU  29           HB2      GLU  29  19.872  18.910   0.468
  225    HB3  GLU  29           HB3      GLU  29  18.787  18.176  -0.728
  226    HG2  GLU  29           HG2      GLU  29  20.337  16.324  -1.068
  227    HG3  GLU  29           HG3      GLU  29  21.393  16.953   0.202
  228    H    GLN  30           H        GLN  30  21.171  21.417  -0.849
  229    HA   GLN  30           HA       GLN  30  18.873  22.890  -1.769
  230    HB2  GLN  30           HB2      GLN  30  21.785  23.691  -1.291
  231    HB3  GLN  30           HB3      GLN  30  20.518  24.850  -1.676
  232    HG2  GLN  30           HG2      GLN  30  20.379  23.019   0.759
  233    HG3  GLN  30           HG3      GLN  30  21.125  24.614   0.779
  234   HE21  GLN  30          HE22      GLN  30  19.709  26.532   0.211
  235   HE22  GLN  30          HE21      GLN  30  17.999  26.396   0.600
  236    H    GLN  31           H        GLN  31  21.973  22.051  -3.401
  237    HA   GLN  31           HA       GLN  31  21.193  23.501  -5.832
  238    HB2  GLN  31           HB2      GLN  31  23.531  21.635  -5.240
  239    HB3  GLN  31           HB3      GLN  31  23.250  22.429  -6.788
  240    HG2  GLN  31           HG2      GLN  31  23.836  23.791  -4.129
  241    HG3  GLN  31           HG3      GLN  31  24.861  23.742  -5.564
  242   HE21  GLN  31          HE22      GLN  31  23.711  24.750  -7.655
  243   HE22  GLN  31          HE21      GLN  31  22.628  26.110  -7.349
  244    H    PHE  32           H        PHE  32  20.963  20.110  -4.697
  245    HA   PHE  32           HA       PHE  32  20.000  19.129  -7.217
  246    HB2  PHE  32           HB2      PHE  32  20.844  17.799  -5.255
  247    HB3  PHE  32           HB3      PHE  32  19.327  18.132  -4.435
  248    HD1  PHE  32           HD1      PHE  32  18.574  17.509  -7.935
  249    HD2  PHE  32           HD2      PHE  32  19.759  15.553  -4.271
  250    HE1  PHE  32           HE1      PHE  32  17.621  15.393  -8.754
  251    HE2  PHE  32           HE2      PHE  32  18.856  13.419  -5.129
  252    HZ   PHE  32           HZ       PHE  32  17.724  13.338  -7.346
  253    H    LEU  33           H        LEU  33  18.239  20.646  -4.442
  254    HA   LEU  33           HA       LEU  33  15.661  20.545  -5.691
  255    HB2  LEU  33           HB2      LEU  33  16.073  20.901  -3.303
  256    HB3  LEU  33           HB3      LEU  33  16.838  22.442  -3.616
  257    HG   LEU  33           HG       LEU  33  14.539  22.517  -2.657
  258   HD11  LEU  33          HD11      LEU  33  15.510  24.448  -3.942
  259   HD12  LEU  33          HD12      LEU  33  14.578  23.902  -5.357
  260   HD13  LEU  33          HD13      LEU  33  13.744  24.381  -3.881
  261   HD21  LEU  33          HD21      LEU  33  13.529  20.652  -3.930
  262   HD22  LEU  33          HD22      LEU  33  12.591  22.152  -4.035
  263   HD23  LEU  33          HD23      LEU  33  13.581  21.639  -5.415
  264    H    GLU  34           H        GLU  34  18.150  23.129  -5.782
  265    HA   GLU  34           HA       GLU  34  16.694  24.831  -7.527
  266    HB2  GLU  34           HB2      GLU  34  18.694  25.476  -6.195
  267    HB3  GLU  34           HB3      GLU  34  19.714  24.514  -7.272
  268    HG2  GLU  34           HG2      GLU  34  19.155  25.958  -9.167
  269    HG3  GLU  34           HG3      GLU  34  17.985  26.845  -8.182
  270    H    ALA  35           H        ALA  35  18.943  22.181  -8.383
  271    HA   ALA  35           HA       ALA  35  18.776  22.610 -11.213
  272    HB1  ALA  35           HB1      ALA  35  19.799  20.364 -11.341
  273    HB2  ALA  35           HB2      ALA  35  20.597  21.350 -10.105
  274    HB3  ALA  35           HB3      ALA  35  19.445  20.084  -9.619
  275    H    MET  36           H        MET  36  16.852  20.452  -9.016
  276    HA   MET  36           HA       MET  36  15.205  19.379 -11.143
  277    HB2  MET  36           HB2      MET  36  14.838  19.640  -8.133
  278    HB3  MET  36           HB3      MET  36  13.640  18.869  -9.178
  279    HG2  MET  36           HG2      MET  36  16.552  18.012  -9.084
  280    HG3  MET  36           HG3      MET  36  15.316  17.310  -8.050
  281    HE1  MET  36           HE1      MET  36  13.195  15.108 -10.335
  282    HE2  MET  36           HE2      MET  36  13.846  15.321  -8.692
  283    HE3  MET  36           HE3      MET  36  12.851  16.598  -9.432
  284    H    GLU  37           H        GLU  37  14.761  22.283  -9.020
  285    HA   GLU  37           HA       GLU  37  12.188  22.908 -10.163
  286    HB2  GLU  37           HB2      GLU  37  13.023  23.622  -7.941
  287    HB3  GLU  37           HB3      GLU  37  14.165  24.723  -8.724
  288    HG2  GLU  37           HG2      GLU  37  12.354  26.050  -9.640
  289    HG3  GLU  37           HG3      GLU  37  11.158  24.829  -9.196
  290    H    SER  38           H        SER  38  15.526  23.901 -11.063
  291    HA   SER  38           HA       SER  38  14.700  25.749 -13.129
  292    HB2  SER  38           HB2      SER  38  17.320  24.224 -12.845
  293    HB3  SER  38           HB3      SER  38  17.026  25.635 -13.879
  294    HG   SER  38           HG       SER  38  17.044  25.475 -11.055
  295    H    THR  39           H        THR  39  15.026  22.240 -13.124
  296    HA   THR  39           HA       THR  39  14.880  22.139 -16.107
  297    HB   THR  39           HB       THR  39  15.448  19.760 -15.867
  298    HG1  THR  39           HG1      THR  39  16.023  20.297 -13.176
  299   HG21  THR  39          HG21      THR  39  17.277  21.320 -16.191
  300   HG22  THR  39          HG22      THR  39  17.367  21.666 -14.458
  301   HG23  THR  39          HG23      THR  39  17.773  20.051 -15.047
  302    H    GLY  40           H        GLY  40  12.639  22.187 -13.634
  303    HA2  GLY  40           HA2      GLY  40  10.361  21.804 -13.726
  304    HA3  GLY  40           HA3      GLY  40  10.528  21.190 -15.374
  305    H    GLY  41           H        GLY  41  12.388  19.834 -12.693
  306    HA2  GLY  41           HA2      GLY  41  12.131  17.918 -11.437
  307    HA3  GLY  41           HA3      GLY  41  10.517  17.674 -12.111
  308    H    ARG  42           H        ARG  42  13.172  17.975 -14.440
  309    HA   ARG  42           HA       ARG  42  12.882  15.076 -15.103
  310    HB2  ARG  42           HB2      ARG  42  14.133  17.423 -16.574
  311    HB3  ARG  42           HB3      ARG  42  14.457  15.737 -16.987
  312    HG2  ARG  42           HG2      ARG  42  11.768  15.559 -16.936
  313    HG3  ARG  42           HG3      ARG  42  11.904  17.296 -17.300
  314    HD2  ARG  42           HD2      ARG  42  13.356  16.743 -19.233
  315    HD3  ARG  42           HD3      ARG  42  13.275  15.013 -18.797
  316    HE   ARG  42           HE       ARG  42  10.615  15.942 -19.085
  317   HH11  ARG  42          HH21      ARG  42  13.344  15.487 -21.257
  318   HH12  ARG  42          HH22      ARG  42  12.309  15.249 -22.640
  319   HH21  ARG  42          HH11      ARG  42   9.371  15.623 -20.883
  320   HH22  ARG  42          HH12      ARG  42  10.113  15.320 -22.425
  321    H    VAL  43           H        VAL  43  13.943  13.895 -13.675
  322    HA   VAL  43           HA       VAL  43  16.265  14.531 -12.232
  323    HB   VAL  43           HB       VAL  43  15.428  11.755 -13.177
  324   HG11  VAL  43          HG11      VAL  43  17.710  11.727 -12.213
  325   HG12  VAL  43          HG12      VAL  43  17.142  12.638 -10.798
  326   HG13  VAL  43          HG13      VAL  43  16.561  10.988 -11.094
  327   HG21  VAL  43          HG21      VAL  43  14.707  13.262 -10.622
  328   HG22  VAL  43          HG22      VAL  43  13.582  12.934 -11.956
  329   HG23  VAL  43          HG23      VAL  43  14.249  11.594 -11.029
  330    H    ARG  44           H        ARG  44  16.137  13.011 -15.521
  331    HA   ARG  44           HA       ARG  44  18.932  12.562 -15.744
  332    HB2  ARG  44           HB2      ARG  44  18.560  12.247 -18.077
  333    HB3  ARG  44           HB3      ARG  44  17.238  11.532 -17.164
  334    HG2  ARG  44           HG2      ARG  44  15.796  13.561 -17.777
  335    HG3  ARG  44           HG3      ARG  44  17.128  14.119 -18.794
  336    HD2  ARG  44           HD2      ARG  44  15.763  11.418 -19.071
  337    HD3  ARG  44           HD3      ARG  44  15.335  12.865 -20.006
  338    HE   ARG  44           HE       ARG  44  18.068  12.557 -20.426
  339   HH11  ARG  44          HH21      ARG  44  15.258  10.567 -21.108
  340   HH12  ARG  44          HH22      ARG  44  16.036   9.777 -22.448
  341   HH21  ARG  44          HH12      ARG  44  18.997  11.499 -22.142
  342   HH22  ARG  44          HH11      ARG  44  18.094  10.306 -23.023
  343    H    ILE  45           H        ILE  45  17.106  15.520 -16.516
  344    HA   ILE  45           HA       ILE  45  19.481  16.858 -17.611
  345    HB   ILE  45           HB       ILE  45  16.846  18.152 -16.846
  346   HG12  ILE  45          HG12      ILE  45  17.694  16.882 -19.495
  347   HG13  ILE  45          HG13      ILE  45  16.380  16.341 -18.445
  348   HG21  ILE  45          HG21      ILE  45  17.580  19.918 -18.406
  349   HG22  ILE  45          HG22      ILE  45  18.866  19.667 -17.240
  350   HG23  ILE  45          HG23      ILE  45  19.007  18.964 -18.862
  351   HD11  ILE  45          HD11      ILE  45  16.432  18.902 -20.070
  352   HD12  ILE  45          HD12      ILE  45  15.406  17.489 -20.299
  353   HD13  ILE  45          HD13      ILE  45  15.188  18.511 -18.860
  354    H    ALA  46           H        ALA  46  17.726  16.799 -14.481
  355    HA   ALA  46           HA       ALA  46  19.253  18.847 -13.225
  356    HB1  ALA  46           HB1      ALA  46  17.862  16.419 -12.002
  357    HB2  ALA  46           HB2      ALA  46  18.361  17.889 -11.142
  358    HB3  ALA  46           HB3      ALA  46  17.095  17.977 -12.384
  359    H    ILE  47           H        ILE  47  19.799  15.237 -13.189
  360    HA   ILE  47           HA       ILE  47  22.282  15.528 -11.767
  361    HB   ILE  47           HB       ILE  47  22.757  13.247 -12.208
  362   HG12  ILE  47          HG12      ILE  47  20.495  13.238 -14.224
  363   HG13  ILE  47          HG13      ILE  47  22.205  13.040 -14.573
  364   HG21  ILE  47          HG21      ILE  47  21.012  13.954 -10.539
  365   HG22  ILE  47          HG22      ILE  47  19.768  13.480 -11.706
  366   HG23  ILE  47          HG23      ILE  47  20.897  12.269 -11.080
  367   HD11  ILE  47          HD11      ILE  47  21.175  10.880 -14.651
  368   HD12  ILE  47          HD12      ILE  47  22.207  10.933 -13.205
  369   HD13  ILE  47          HD13      ILE  47  20.434  11.091 -13.056
  370    H    ALA  48           H        ALA  48  21.598  15.456 -15.317
  371    HA   ALA  48           HA       ALA  48  24.277  15.630 -16.190
  372    HB1  ALA  48           HB1      ALA  48  21.745  16.922 -17.296
  373    HB2  ALA  48           HB2      ALA  48  23.278  16.737 -18.178
  374    HB3  ALA  48           HB3      ALA  48  22.366  15.302 -17.681
  375    H    LYS  49           H        LYS  49  22.085  18.386 -15.251
  376    HA   LYS  49           HA       LYS  49  24.074  20.421 -15.665
  377    HB2  LYS  49           HB2      LYS  49  21.536  20.303 -13.975
  378    HB3  LYS  49           HB3      LYS  49  22.513  21.758 -14.099
  379    HG2  LYS  49           HG2      LYS  49  21.354  20.353 -16.539
  380    HG3  LYS  49           HG3      LYS  49  20.508  21.622 -15.650
  381    HD2  LYS  49           HD2      LYS  49  22.341  23.211 -16.121
  382    HD3  LYS  49           HD3      LYS  49  23.227  21.948 -17.009
  383    HE2  LYS  49           HE2      LYS  49  21.364  21.733 -18.605
  384    HE3  LYS  49           HE3      LYS  49  20.439  22.953 -17.719
  385    HZ1  LYS  49           HZ1      LYS  49  23.039  23.443 -19.101
  386    HZ2  LYS  49           HZ2      LYS  49  21.580  23.931 -19.635
  387    HZ3  LYS  49           HZ3      LYS  49  22.202  24.577 -18.268
  388    H    LEU  50           H        LEU  50  23.279  18.534 -12.725
  389    HA   LEU  50           HA       LEU  50  25.135  19.943 -11.025
  390    HB2  LEU  50           HB2      LEU  50  23.964  17.135 -10.884
  391    HB3  LEU  50           HB3      LEU  50  24.939  17.858  -9.607
  392    HG   LEU  50           HG       LEU  50  22.324  19.089 -10.551
  393   HD11  LEU  50          HD11      LEU  50  21.938  16.812  -9.655
  394   HD12  LEU  50          HD12      LEU  50  22.847  17.235  -8.185
  395   HD13  LEU  50          HD13      LEU  50  21.314  18.053  -8.572
  396   HD21  LEU  50          HD21      LEU  50  23.987  19.503  -8.038
  397   HD22  LEU  50          HD22      LEU  50  23.783  20.665  -9.374
  398   HD23  LEU  50          HD23      LEU  50  22.400  20.223  -8.375
  399    H    LEU  51           H        LEU  51  25.630  17.021 -13.105
  400    HA   LEU  51           HA       LEU  51  28.364  16.786 -12.075
  401    HB2  LEU  51           HB2      LEU  51  28.529  14.749 -13.137
  402    HB3  LEU  51           HB3      LEU  51  26.909  14.858 -12.499
  403    HG   LEU  51           HG       LEU  51  26.297  15.597 -14.995
  404   HD11  LEU  51          HD11      LEU  51  28.801  13.894 -15.406
  405   HD12  LEU  51          HD12      LEU  51  27.656  14.410 -16.668
  406   HD13  LEU  51          HD13      LEU  51  28.667  15.605 -15.849
  407   HD21  LEU  51          HD21      LEU  51  25.467  13.568 -13.853
  408   HD22  LEU  51          HD22      LEU  51  25.876  13.230 -15.538
  409   HD23  LEU  51          HD23      LEU  51  26.984  12.722 -14.242
  410    H    SER  52           H        SER  52  26.981  17.887 -15.227
  411    HA   SER  52           HA       SER  52  29.499  18.258 -16.499
  412    HB2  SER  52           HB2      SER  52  26.838  19.639 -16.961
  413    HB3  SER  52           HB3      SER  52  28.238  19.777 -18.042
  414    HG   SER  52           HG       SER  52  28.119  17.589 -18.490
  415    H    LYS  53           H        LYS  53  27.893  20.316 -14.145
  416    HA   LYS  53           HA       LYS  53  29.479  22.676 -14.470
  417    HB2  LYS  53           HB2      LYS  53  27.344  22.454 -13.179
  418    HB3  LYS  53           HB3      LYS  53  28.158  21.419 -12.008
  419    HG2  LYS  53           HG2      LYS  53  27.840  23.665 -11.137
  420    HG3  LYS  53           HG3      LYS  53  29.549  23.269 -11.254
  421    HD2  LYS  53           HD2      LYS  53  29.213  25.562 -11.945
  422    HD3  LYS  53           HD3      LYS  53  29.711  24.622 -13.353
  423    HE2  LYS  53           HE2      LYS  53  27.350  24.496 -14.121
  424    HE3  LYS  53           HE3      LYS  53  26.830  25.369 -12.674
  425    HZ1  LYS  53           HZ1      LYS  53  28.624  26.487 -14.772
  426    HZ2  LYS  53           HZ2      LYS  53  27.048  26.874 -14.572
  427    HZ3  LYS  53           HZ3      LYS  53  28.136  27.291 -13.432
  428    H    GLN  54           H        GLN  54  30.273  19.559 -13.138
  429    HA   GLN  54           HA       GLN  54  32.757  20.575 -11.805
  430    HB2  GLN  54           HB2      GLN  54  31.132  18.034 -11.470
  431    HB3  GLN  54           HB3      GLN  54  32.676  18.344 -10.666
  432    HG2  GLN  54           HG2      GLN  54  31.773  20.205  -9.424
  433    HG3  GLN  54           HG3      GLN  54  30.259  20.178 -10.339
  434   HE21  GLN  54          HE22      GLN  54  28.660  18.563  -9.873
  435   HE22  GLN  54          HE21      GLN  54  28.839  17.472  -8.509
  436    H    THR  55           H        THR  55  31.640  18.069 -14.140
  437    HA   THR  55           HA       THR  55  34.349  17.802 -15.272
  438    HB   THR  55           HB       THR  55  34.536  16.405 -13.311
  439    HG1  THR  55           HG1      THR  55  35.083  14.510 -14.337
  440   HG21  THR  55          HG21      THR  55  32.081  14.881 -14.279
  441   HG22  THR  55          HG22      THR  55  33.128  14.432 -12.920
  442   HG23  THR  55          HG23      THR  55  32.173  15.915 -12.831
  443    H    SER  56           H        SER  56  34.427  16.610 -17.217
  444    HA   SER  56           HA       SER  56  31.975  16.660 -18.798
  445    HB2  SER  56           HB2      SER  56  34.796  15.835 -19.566
  446    HB3  SER  56           HB3      SER  56  33.444  16.127 -20.682
  447    HG   SER  56           HG       SER  56  34.830  17.970 -20.464
  448    H    GLY  57           H        GLY  57  31.326  14.920 -16.969
  449    HA2  GLY  57           HA2      GLY  57  32.060  12.162 -17.380
  450    HA3  GLY  57           HA3      GLY  57  30.700  12.752 -16.426
  451    H    GLY  58           H        GLY  58  30.417  10.432 -17.754
  452    HA2  GLY  58           HA2      GLY  58  28.805   9.347 -19.007
  453    HA3  GLY  58           HA3      GLY  58  28.171  10.898 -19.550
  454    H    SER  59           H        SER  59  31.548  10.533 -20.168
  455    HA   SER  59           HA       SER  59  31.154  10.402 -23.052
  456    HB2  SER  59           HB2      SER  59  33.601  10.685 -23.133
  457    HB3  SER  59           HB3      SER  59  32.799  11.906 -22.134
  458    HG   SER  59           HG       SER  59  34.679  11.046 -21.104
  459    H    GLY  60           H        GLY  60  32.426   8.947 -24.433
  460    HA2  GLY  60           HA2      GLY  60  33.210   6.892 -25.154
  461    HA3  GLY  60           HA3      GLY  60  33.385   6.381 -23.481
  462    H    GLY  61           H        GLY  61  32.677   4.314 -24.413
  463    HA2  GLY  61           HA2      GLY  61  30.001   3.896 -25.426
  464    HA3  GLY  61           HA3      GLY  61  31.154   2.658 -24.934
  465    H    SER  62           H        SER  62  28.478   2.340 -24.483
  466    HA   SER  62           HA       SER  62  27.517   3.129 -21.921
  467    HB2  SER  62           HB2      SER  62  26.764   0.706 -23.600
  468    HB3  SER  62           HB3      SER  62  25.817   1.385 -22.264
  469    HG   SER  62           HG       SER  62  25.089   2.132 -24.331
  470    H    LYS  63           H        LYS  63  27.202   1.941 -19.999
  471    HA   LYS  63           HA       LYS  63  29.425   0.392 -19.084
  472    HB2  LYS  63           HB2      LYS  63  28.285   0.280 -16.973
  473    HB3  LYS  63           HB3      LYS  63  28.065   1.875 -17.669
  474    HG2  LYS  63           HG2      LYS  63  25.915   1.578 -17.041
  475    HG3  LYS  63           HG3      LYS  63  25.772   0.737 -18.580
  476    HD2  LYS  63           HD2      LYS  63  26.285  -1.447 -17.271
  477    HD3  LYS  63           HD3      LYS  63  26.207  -0.463 -15.810
  478    HE2  LYS  63           HE2      LYS  63  24.054  -1.342 -15.924
  479    HE3  LYS  63           HE3      LYS  63  23.857   0.272 -16.616
  480    HZ1  LYS  63           HZ1      LYS  63  24.102  -2.292 -18.129
  481    HZ2  LYS  63           HZ2      LYS  63  22.752  -1.382 -17.994
  482    HZ3  LYS  63           HZ3      LYS  63  24.014  -0.817 -18.861
  483    H    LEU  64           H        LEU  64  29.616  -1.741 -18.408
  484    HA   LEU  64           HA       LEU  64  28.149  -3.682 -20.083
  485    HB2  LEU  64           HB2      LEU  64  30.554  -4.042 -18.259
  486    HB3  LEU  64           HB3      LEU  64  29.892  -5.264 -19.341
  487    HG   LEU  64           HG       LEU  64  31.167  -2.631 -20.214
  488   HD11  LEU  64          HD11      LEU  64  32.775  -4.264 -19.312
  489   HD12  LEU  64          HD12      LEU  64  32.151  -5.505 -20.421
  490   HD13  LEU  64          HD13      LEU  64  32.974  -4.070 -21.060
  491   HD21  LEU  64          HD21      LEU  64  29.474  -3.309 -21.860
  492   HD22  LEU  64          HD22      LEU  64  31.088  -3.617 -22.499
  493   HD23  LEU  64          HD23      LEU  64  30.117  -4.968 -21.875
  494    H    GLY  65           H        GLY  65  27.092  -5.510 -19.343
  495    HA2  GLY  65           HA2      GLY  65  25.843  -6.850 -17.934
  496    HA3  GLY  65           HA3      GLY  65  26.646  -6.126 -16.548
  497    H    GLY  66           H        GLY  66  24.353  -6.552 -15.795
  498    HA2  GLY  66           HA2      GLY  66  22.915  -4.149 -15.338
  499    HA3  GLY  66           HA3      GLY  66  22.093  -5.045 -16.622
  500    H    SER  67           H        SER  67  20.442  -4.823 -14.737
  501    HA   SER  67           HA       SER  67  20.647  -6.419 -12.394
  502    HB2  SER  67           HB2      SER  67  18.151  -5.502 -13.867
  503    HB3  SER  67           HB3      SER  67  18.221  -6.096 -12.195
  504    HG   SER  67           HG       SER  67  18.276  -3.781 -12.320
  505    H    GLY  68           H        GLY  68  19.987  -8.453 -11.837
  506    HA2  GLY  68           HA2      GLY  68  19.858 -10.484 -13.897
  507    HA3  GLY  68           HA3      GLY  68  19.750 -10.735 -12.161
  508    H    GLY  69           H        GLY  69  18.242 -12.098 -14.154
  509    HA2  GLY  69           HA2      GLY  69  15.526 -11.123 -14.335
  510    HA3  GLY  69           HA3      GLY  69  16.109 -12.739 -14.737
  511    H    SER  70           H        SER  70  17.154 -12.637 -11.712
  512    HA   SER  70           HA       SER  70  14.997 -14.214 -10.646
  513    HB2  SER  70           HB2      SER  70  17.459 -13.157  -9.213
  514    HB3  SER  70           HB3      SER  70  16.468 -14.546  -8.741
  515    HG   SER  70           HG       SER  70  17.157 -15.626 -10.632
  516    H    ARG  71           H        ARG  71  15.197 -10.872 -10.698
  517    HA   ARG  71           HA       ARG  71  14.410 -10.134  -8.025
  518    HB2  ARG  71           HB2      ARG  71  14.052  -8.738 -10.718
  519    HB3  ARG  71           HB3      ARG  71  13.602  -8.038  -9.165
  520    HG2  ARG  71           HG2      ARG  71  15.973  -8.194  -8.399
  521    HG3  ARG  71           HG3      ARG  71  16.419  -8.795 -10.002
  522    HD2  ARG  71           HD2      ARG  71  16.885  -6.429  -9.920
  523    HD3  ARG  71           HD3      ARG  71  15.537  -6.673 -11.021
  524    HE   ARG  71           HE       ARG  71  15.499  -5.425  -8.317
  525   HH11  ARG  71          HH11      ARG  71  13.521  -6.186 -11.139
  526   HH12  ARG  71          HH12      ARG  71  12.088  -5.511 -10.382
  527   HH21  ARG  71          HH21      ARG  71  13.639  -4.415  -7.569
  528   HH22  ARG  71          HH22      ARG  71  12.187  -4.469  -8.553
  529    H    LYS  72           H        LYS  72  12.479  -9.209  -7.335
  530    HA   LYS  72           HA       LYS  72   9.914  -9.835  -8.721
  531    HB2  LYS  72           HB2      LYS  72  10.472 -10.146  -5.733
  532    HB3  LYS  72           HB3      LYS  72   8.877 -10.242  -6.467
  533    HG2  LYS  72           HG2      LYS  72  11.181 -12.167  -7.030
  534    HG3  LYS  72           HG3      LYS  72   9.853 -12.448  -5.908
  535    HD2  LYS  72           HD2      LYS  72   8.215 -12.313  -7.768
  536    HD3  LYS  72           HD3      LYS  72   9.546 -12.064  -8.921
  537    HE2  LYS  72           HE2      LYS  72  10.541 -14.238  -8.249
  538    HE3  LYS  72           HE3      LYS  72   9.220 -14.496  -7.102
  539    HZ1  LYS  72           HZ1      LYS  72   8.890 -14.273 -10.057
  540    HZ2  LYS  72           HZ2      LYS  72   8.798 -15.656  -9.195
  541    HZ3  LYS  72           HZ3      LYS  72   7.665 -14.501  -8.992
  542    H    ASP  73           H        ASP  73   8.223  -8.354  -8.231
  543    HA   ASP  73           HA       ASP  73   8.938  -5.811  -6.866
  544    HB2  ASP  73           HB2      ASP  73   7.874  -6.027  -9.708
  545    HB3  ASP  73           HB3      ASP  73   7.820  -4.554  -8.748
  546    H    LEU  74           H        LEU  74   7.113  -4.540  -6.230
  547    HA   LEU  74           HA       LEU  74   4.699  -6.162  -5.603
  548    HB2  LEU  74           HB2      LEU  74   5.677  -3.469  -4.572
  549    HB3  LEU  74           HB3      LEU  74   4.227  -4.294  -4.012
  550    HG   LEU  74           HG       LEU  74   7.084  -5.312  -3.682
  551   HD11  LEU  74          HD11      LEU  74   6.730  -4.793  -1.310
  552   HD12  LEU  74          HD12      LEU  74   6.547  -3.339  -2.299
  553   HD13  LEU  74          HD13      LEU  74   5.105  -4.168  -1.663
  554   HD21  LEU  74          HD21      LEU  74   6.064  -6.974  -2.140
  555   HD22  LEU  74          HD22      LEU  74   4.445  -6.433  -2.633
  556   HD23  LEU  74          HD23      LEU  74   5.531  -7.213  -3.805
  557    H    SER  75           H        SER  75   2.593  -4.911  -5.579
  558    HA   SER  75           HA       SER  75   2.325  -2.801  -7.630
  559    HB2  SER  75           HB2      SER  75   0.434  -3.877  -8.710
  560    HB3  SER  75           HB3      SER  75   1.877  -4.896  -8.844
  561    HG   SER  75           HG       SER  75   0.042  -6.133  -8.227
  562    H    VAL  76           H        VAL  76   0.212  -1.791  -7.550
  563    HA   VAL  76           HA       VAL  76  -1.198  -0.426  -6.549
  564    HB   VAL  76           HB       VAL  76  -3.074  -1.332  -5.384
  565   HG11  VAL  76          HG11      VAL  76  -3.804  -2.946  -7.034
  566   HG12  VAL  76          HG12      VAL  76  -2.867  -1.666  -7.823
  567   HG13  VAL  76          HG13      VAL  76  -2.130  -3.258  -7.535
  568   HG21  VAL  76          HG21      VAL  76  -3.293  -3.593  -4.643
  569   HG22  VAL  76          HG22      VAL  76  -1.680  -4.027  -5.227
  570   HG23  VAL  76          HG23      VAL  76  -1.855  -2.921  -3.847
  571    H    LYS  77           H        LYS  77   1.228  -1.370  -4.521
  572    HA   LYS  77           HA       LYS  77   0.371   0.234  -2.195
  573    HB2  LYS  77           HB2      LYS  77   3.115  -0.877  -2.925
  574    HB3  LYS  77           HB3      LYS  77   2.678  -0.140  -1.390
  575    HG2  LYS  77           HG2      LYS  77   1.582  -2.755  -2.498
  576    HG3  LYS  77           HG3      LYS  77   2.759  -2.556  -1.201
  577    HD2  LYS  77           HD2      LYS  77   1.017  -1.360   0.161
  578    HD3  LYS  77           HD3      LYS  77  -0.170  -1.693  -1.124
  579    HE2  LYS  77           HE2      LYS  77   0.235  -4.130  -0.880
  580    HE3  LYS  77           HE3      LYS  77   1.416  -3.811   0.398
  581    HZ1  LYS  77           HZ1      LYS  77  -0.386  -2.824   1.728
  582    HZ2  LYS  77           HZ2      LYS  77  -1.482  -3.126   0.552
  583    HZ3  LYS  77           HZ3      LYS  77  -0.761  -4.362   1.335
  584    H    GLY  78           H        GLY  78   1.879   0.917  -5.221
  585    HA2  GLY  78           HA2      GLY  78   2.999   3.523  -4.536
  586    HA3  GLY  78           HA3      GLY  78   2.696   2.883  -6.150
  587    H    MET  79           H        MET  79   2.231   5.436  -5.955
  588    HA   MET  79           HA       MET  79  -0.733   5.796  -5.635
  589    HB2  MET  79           HB2      MET  79   0.863   6.836  -3.953
  590    HB3  MET  79           HB3      MET  79   1.445   7.879  -5.249
  591    HG2  MET  79           HG2      MET  79  -0.173   9.023  -3.848
  592    HG3  MET  79           HG3      MET  79  -0.819   8.856  -5.471
  593    HE1  MET  79           HE1      MET  79  -3.224   9.510  -4.652
  594    HE2  MET  79           HE2      MET  79  -4.045   8.762  -3.263
  595    HE3  MET  79           HE3      MET  79  -2.578   9.735  -3.010
  596    H    LEU  80           H        LEU  80   1.620   5.750  -8.095
  597    HA   LEU  80           HA       LEU  80   0.093   7.686  -9.798
  598    HB2  LEU  80           HB2      LEU  80   3.112   7.414  -9.504
  599    HB3  LEU  80           HB3      LEU  80   2.315   8.389 -10.731
  600    HG   LEU  80           HG       LEU  80   2.117   8.887  -7.729
  601   HD11  LEU  80          HD11      LEU  80   3.689  10.328  -9.907
  602   HD12  LEU  80          HD12      LEU  80   3.586  10.809  -8.196
  603   HD13  LEU  80          HD13      LEU  80   4.382   9.290  -8.643
  604   HD21  LEU  80          HD21      LEU  80   1.189  11.088  -8.417
  605   HD22  LEU  80          HD22      LEU  80   1.172  10.553 -10.111
  606   HD23  LEU  80          HD23      LEU  80   0.134   9.759  -8.901
  607    H    TYR  81           H        TYR  81  -0.229   7.174 -11.880
  608    HA   TYR  81           HA       TYR  81   0.803   4.605 -12.948
  609    HB2  TYR  81           HB2      TYR  81  -0.767   5.019 -14.787
  610    HB3  TYR  81           HB3      TYR  81  -1.554   5.007 -13.222
  611    HD1  TYR  81           HD1      TYR  81  -0.402   7.212 -16.008
  612    HD2  TYR  81           HD2      TYR  81  -2.729   6.940 -12.377
  613    HE1  TYR  81           HE1      TYR  81  -1.378   9.459 -16.462
  614    HE2  TYR  81           HE2      TYR  81  -3.696   9.185 -12.832
  615    HH   TYR  81           HH       TYR  81  -3.762  10.991 -14.262
  616    H    ASP  82           H        ASP  82   1.595   7.963 -13.079
  617    HA   ASP  82           HA       ASP  82   3.105   7.836 -15.591
  618    HB2  ASP  82           HB2      ASP  82   1.916   9.883 -14.801
  619    HB3  ASP  82           HB3      ASP  82   3.007   9.954 -13.415
  620    H    SER  83           H        SER  83   5.422   8.579 -15.538
  621    HA   SER  83           HA       SER  83   7.132   6.688 -14.419
  622    HB2  SER  83           HB2      SER  83   7.777   9.524 -15.320
  623    HB3  SER  83           HB3      SER  83   8.937   8.195 -15.158
  624    HG   SER  83           HG       SER  83   8.162   8.457 -17.338
  625    H    ASP  84           H        ASP  84   8.901   6.836 -12.982
  626    HA   ASP  84           HA       ASP  84   8.208   7.670 -10.364
  627    HB2  ASP  84           HB2      ASP  84  10.376   6.777  -9.737
  628    HB3  ASP  84           HB3      ASP  84   9.584   5.709 -10.880
  629    H    SER  85           H        SER  85   9.651   9.627 -12.804
  630    HA   SER  85           HA       SER  85  11.401  11.316 -11.376
  631    HB2  SER  85           HB2      SER  85  10.725  13.024 -13.125
  632    HB3  SER  85           HB3      SER  85  11.254  11.455 -13.764
  633    HG   SER  85           HG       SER  85   9.293  12.230 -14.759
  634    H    GLN  86           H        GLN  86   7.796  11.498 -11.586
  635    HA   GLN  86           HA       GLN  86   7.607  13.911 -10.012
  636    HB2  GLN  86           HB2      GLN  86   5.574  11.709 -10.565
  637    HB3  GLN  86           HB3      GLN  86   5.235  13.195  -9.674
  638    HG2  GLN  86           HG2      GLN  86   6.131  14.460 -11.760
  639    HG3  GLN  86           HG3      GLN  86   5.969  12.919 -12.606
  640   HE21  GLN  86          HE22      GLN  86   3.917  12.576 -13.556
  641   HE22  GLN  86          HE21      GLN  86   2.464  13.429 -13.029
  642    H    GLN  87           H        GLN  87   7.677  10.444  -9.022
  643    HA   GLN  87           HA       GLN  87   7.145  11.062  -6.234
  644    HB2  GLN  87           HB2      GLN  87   6.683   8.857  -7.352
  645    HB3  GLN  87           HB3      GLN  87   8.419   8.580  -7.464
  646    HG2  GLN  87           HG2      GLN  87   7.529   7.374  -5.562
  647    HG3  GLN  87           HG3      GLN  87   8.587   8.650  -4.977
  648   HE21  GLN  87          HE22      GLN  87   5.119   7.731  -5.372
  649   HE22  GLN  87          HE21      GLN  87   4.562   8.830  -4.122
  650    H    ILE  88           H        ILE  88  10.150  10.556  -8.140
  651    HA   ILE  88           HA       ILE  88  11.996  10.961  -5.980
  652    HB   ILE  88           HB       ILE  88  12.180  11.440  -8.973
  653   HG12  ILE  88          HG12      ILE  88  11.952   9.066  -8.181
  654   HG13  ILE  88          HG13      ILE  88  13.399   9.415  -9.111
  655   HG21  ILE  88          HG21      ILE  88  13.828  12.943  -8.094
  656   HG22  ILE  88          HG22      ILE  88  14.382  11.752  -6.897
  657   HG23  ILE  88          HG23      ILE  88  14.693  11.498  -8.624
  658   HD11  ILE  88          HD11      ILE  88  13.359   9.201  -6.069
  659   HD12  ILE  88          HD12      ILE  88  13.803   7.896  -7.184
  660   HD13  ILE  88          HD13      ILE  88  14.789   9.360  -7.109
  661    H    LEU  89           H        LEU  89  10.524  13.383  -8.249
  662    HA   LEU  89           HA       LEU  89  11.659  15.669  -6.995
  663    HB2  LEU  89           HB2      LEU  89  10.559  15.738  -9.200
  664    HB3  LEU  89           HB3      LEU  89   9.035  15.224  -8.491
  665    HG   LEU  89           HG       LEU  89   8.885  17.386  -7.234
  666   HD11  LEU  89          HD11      LEU  89  11.301  17.987  -7.155
  667   HD12  LEU  89          HD12      LEU  89  11.288  18.202  -8.928
  668   HD13  LEU  89          HD13      LEU  89  10.326  19.261  -7.886
  669   HD21  LEU  89          HD21      LEU  89   7.752  17.093  -9.387
  670   HD22  LEU  89          HD22      LEU  89   8.325  18.760  -9.186
  671   HD23  LEU  89          HD23      LEU  89   9.208  17.638 -10.249
  672    H    ASN  90           H        ASN  90   8.506  14.043  -6.249
  673    HA   ASN  90           HA       ASN  90   7.733  15.832  -4.207
  674    HB2  ASN  90           HB2      ASN  90   6.262  14.128  -5.266
  675    HB3  ASN  90           HB3      ASN  90   7.173  12.834  -4.494
  676   HD21  ASN  90          HD22      ASN  90   4.881  15.500  -3.907
  677   HD22  ASN  90          HD21      ASN  90   4.441  14.946  -2.303
  678    H    ARG  91           H        ARG  91   9.610  12.729  -3.807
  679    HA   ARG  91           HA       ARG  91   9.974  13.210  -0.951
  680    HB2  ARG  91           HB2      ARG  91  11.241  11.288  -2.943
  681    HB3  ARG  91           HB3      ARG  91  11.741  11.348  -1.251
  682    HG2  ARG  91           HG2      ARG  91   8.985  10.602  -2.311
  683    HG3  ARG  91           HG3      ARG  91  10.192   9.546  -1.584
  684    HD2  ARG  91           HD2      ARG  91   8.927   9.834   0.276
  685    HD3  ARG  91           HD3      ARG  91   9.954  11.274   0.462
  686    HE   ARG  91           HE       ARG  91   7.483  11.677  -1.110
  687   HH11  ARG  91          HH11      ARG  91   8.673  11.749   2.223
  688   HH12  ARG  91          HH12      ARG  91   7.331  12.744   2.721
  689   HH21  ARG  91          HH21      ARG  91   5.953  12.989  -0.393
  690   HH22  ARG  91          HH22      ARG  91   5.983  13.605   1.249
  691    H    LEU  92           H        LEU  92  11.953  14.144  -3.777
  692    HA   LEU  92           HA       LEU  92  14.190  15.041  -2.175
  693    HB2  LEU  92           HB2      LEU  92  14.308  14.524  -4.558
  694    HB3  LEU  92           HB3      LEU  92  13.158  15.784  -4.947
  695    HG   LEU  92           HG       LEU  92  15.486  16.237  -5.535
  696   HD11  LEU  92          HD11      LEU  92  15.553  18.507  -5.047
  697   HD12  LEU  92          HD12      LEU  92  13.837  18.084  -5.197
  698   HD13  LEU  92          HD13      LEU  92  14.573  18.362  -3.589
  699   HD21  LEU  92          HD21      LEU  92  15.986  16.593  -2.547
  700   HD22  LEU  92          HD22      LEU  92  16.645  15.291  -3.566
  701   HD23  LEU  92          HD23      LEU  92  17.118  16.973  -3.857
  702    H    ARG  93           H        ARG  93  11.330  16.782  -3.513
  703    HA   ARG  93           HA       ARG  93  12.038  19.305  -2.324
  704    HB2  ARG  93           HB2      ARG  93  10.491  18.872  -4.299
  705    HB3  ARG  93           HB3      ARG  93   9.246  18.374  -3.143
  706    HG2  ARG  93           HG2      ARG  93   9.311  20.630  -2.101
  707    HG3  ARG  93           HG3      ARG  93  10.666  21.082  -3.149
  708    HD2  ARG  93           HD2      ARG  93   9.075  20.612  -5.143
  709    HD3  ARG  93           HD3      ARG  93   7.784  20.544  -3.944
  710    HE   ARG  93           HE       ARG  93   7.980  22.851  -3.547
  711   HH11  ARG  93          HH11      ARG  93  10.488  21.967  -5.917
  712   HH12  ARG  93          HH12      ARG  93  10.795  23.686  -6.217
  713   HH21  ARG  93          HH21      ARG  93   8.557  24.981  -4.149
  714   HH22  ARG  93          HH22      ARG  93   9.833  25.166  -5.361
  715    H    GLU  94           H        GLU  94  10.112  16.583  -1.055
  716    HA   GLU  94           HA       GLU  94   9.427  17.908   1.420
  717    HB2  GLU  94           HB2      GLU  94   9.691  14.999   0.627
  718    HB3  GLU  94           HB3      GLU  94   9.129  15.508   2.216
  719    HG2  GLU  94           HG2      GLU  94   7.753  16.823  -0.102
  720    HG3  GLU  94           HG3      GLU  94   7.523  15.107   0.024
  721    H    ARG  95           H        ARG  95  12.204  15.694   0.616
  722    HA   ARG  95           HA       ARG  95  13.524  15.803   3.127
  723    HB2  ARG  95           HB2      ARG  95  14.400  15.372   0.262
  724    HB3  ARG  95           HB3      ARG  95  15.640  15.611   1.492
  725    HG2  ARG  95           HG2      ARG  95  14.861  13.689   2.765
  726    HG3  ARG  95           HG3      ARG  95  13.474  13.493   1.679
  727    HD2  ARG  95           HD2      ARG  95  15.124  11.860   1.073
  728    HD3  ARG  95           HD3      ARG  95  15.022  13.049  -0.212
  729    HE   ARG  95           HE       ARG  95  17.145  14.084   0.711
  730   HH11  ARG  95          HH11      ARG  95  16.651  10.665   1.606
  731   HH12  ARG  95          HH12      ARG  95  18.376  10.445   1.696
  732   HH21  ARG  95          HH21      ARG  95  19.140  13.678   0.892
  733   HH22  ARG  95          HH22      ARG  95  19.790  12.057   1.256
  734    H    VAL  96           H        VAL  96  13.681  18.181   0.463
  735    HA   VAL  96           HA       VAL  96  15.648  19.792   1.960
  736    HB   VAL  96           HB       VAL  96  14.396  20.228  -0.778
  737   HG11  VAL  96          HG11      VAL  96  16.695  21.631   0.661
  738   HG12  VAL  96          HG12      VAL  96  16.376  21.776  -1.071
  739   HG13  VAL  96          HG13      VAL  96  15.186  22.372   0.090
  740   HG21  VAL  96          HG21      VAL  96  16.659  19.488  -1.549
  741   HG22  VAL  96          HG22      VAL  96  17.097  19.181   0.153
  742   HG23  VAL  96          HG23      VAL  96  15.849  18.211  -0.649
  743    H    SER  97           H        SER  97  12.246  20.231   0.913
  744    HA   SER  97           HA       SER  97  12.139  22.780   2.453
  745    HB2  SER  97           HB2      SER  97  10.630  22.058  -0.071
  746    HB3  SER  97           HB3      SER  97  10.637  23.616   0.773
  747    HG   SER  97           HG       SER  97  12.116  23.739  -0.910
  748    H    GLY  98           H        GLY  98  11.026  19.715   2.956
  749    HA2  GLY  98           HA2      GLY  98   8.223  20.056   3.385
  750    HA3  GLY  98           HA3      GLY  98   9.252  18.832   4.121
  751    H    SER  99           H        SER  99   7.070  20.140   5.366
  752    HA   SER  99           HA       SER  99   6.356  21.278   7.179
  753    HB2  SER  99           HB2      SER  99   8.878  20.080   8.337
  754    HB3  SER  99           HB3      SER  99   7.510  20.729   9.271
  755    HG   SER  99           HG       SER  99   7.348  18.441   8.938
  756    H    THR 100           H        THR 100   9.581  22.046   8.406
  757    HA   THR 100           HA       THR 100   8.849  24.911   8.447
  758    HB   THR 100           HB       THR 100  10.848  25.097   9.913
  759    HG1  THR 100           HG1      THR 100  11.809  23.095  10.558
  760   HG21  THR 100          HG21      THR 100   9.966  23.886  11.831
  761   HG22  THR 100          HG22      THR 100   8.624  24.577  10.904
  762   HG23  THR 100          HG23      THR 100   8.988  22.838  10.782
  763    H    ALA 101           H        ALA 101  10.710  22.886   6.407
  764    HA   ALA 101           HA       ALA 101  12.453  23.113   5.018
  765    HB1  ALA 101           HB1      ALA 101  12.451  25.015   3.519
  766    HB2  ALA 101           HB2      ALA 101  10.779  24.573   3.895
  767    HB3  ALA 101           HB3      ALA 101  11.518  25.988   4.677
  768    H    GLN 102           H        GLN 102  13.093  23.525   7.820
  769    HA   GLN 102           HA       GLN 102  15.641  25.047   7.603
  770    HB2  GLN 102           HB2      GLN 102  13.766  26.470   8.505
  771    HB3  GLN 102           HB3      GLN 102  13.622  25.346   9.864
  772    HG2  GLN 102           HG2      GLN 102  15.953  25.891  10.541
  773    HG3  GLN 102           HG3      GLN 102  16.116  26.952   9.139
  774   HE21  GLN 102          HE22      GLN 102  16.734  28.309  11.257
  775   HE22  GLN 102          HE21      GLN 102  15.395  29.265  11.881
  776    H    SER 103           H        SER 103  17.301  24.381   9.022
  777    HA   SER 103           HA       SER 103  17.249  21.601   9.861
  778    HB2  SER 103           HB2      SER 103  19.589  22.080  10.573
  779    HB3  SER 103           HB3      SER 103  19.245  22.460   8.877
  780    HG   SER 103           HG       SER 103  20.440  24.138   9.946
  781    H    ALA 104           H        ALA 104  17.821  20.814  11.955
  782    HA   ALA 104           HA       ALA 104  16.322  22.051  14.125
  783    HB1  ALA 104           HB1      ALA 104  16.903  20.000  15.339
  784    HB2  ALA 104           HB2      ALA 104  16.255  19.626  13.729
  785    HB3  ALA 104           HB3      ALA 104  18.007  19.513  14.037
  Start of MODEL    5
    1    H1   SER   1           H1       SER   1   9.485 -23.375  -5.758
    2    H2   SER   1           H2       SER   1   9.697 -22.537  -4.366
    3    H3   SER   1           H3       SER   1   9.243 -24.109  -4.312
    4    HA   SER   1           HA       SER   1   7.145 -23.621  -5.368
    5    HB2  SER   1           HB2      SER   1   7.621 -21.960  -2.859
    6    HB3  SER   1           HB3      SER   1   6.057 -22.550  -3.458
    7    HG   SER   1           HG       SER   1   6.928 -23.948  -1.859
    8    H    VAL   2           H        VAL   2   5.605 -22.083  -6.143
    9    HA   VAL   2           HA       VAL   2   6.808 -19.789  -7.491
   10    HB   VAL   2           HB       VAL   2   5.145 -21.318  -8.507
   11   HG11  VAL   2          HG11      VAL   2   3.522 -21.514  -6.622
   12   HG12  VAL   2          HG12      VAL   2   3.061 -19.813  -6.867
   13   HG13  VAL   2          HG13      VAL   2   2.762 -21.010  -8.134
   14   HG21  VAL   2          HG21      VAL   2   5.647 -19.104  -9.481
   15   HG22  VAL   2          HG22      VAL   2   3.992 -19.641  -9.801
   16   HG23  VAL   2          HG23      VAL   2   4.289 -18.405  -8.569
   17    H    SER   3           H        SER   3   4.954 -20.172  -4.543
   18    HA   SER   3           HA       SER   3   4.143 -17.406  -4.245
   19    HB2  SER   3           HB2      SER   3   3.603 -18.134  -1.914
   20    HB3  SER   3           HB3      SER   3   2.848 -19.113  -3.183
   21    HG   SER   3           HG       SER   3   3.790 -20.398  -1.494
   22    H    ILE   4           H        ILE   4   4.799 -15.999  -2.581
   23    HA   ILE   4           HA       ILE   4   7.600 -16.133  -1.631
   24    HB   ILE   4           HB       ILE   4   7.731 -13.621  -2.332
   25   HG12  ILE   4          HG12      ILE   4   6.753 -12.985  -4.429
   26   HG13  ILE   4          HG13      ILE   4   5.927 -14.529  -4.612
   27   HG21  ILE   4          HG21      ILE   4   9.204 -15.420  -3.132
   28   HG22  ILE   4          HG22      ILE   4   8.030 -15.829  -4.402
   29   HG23  ILE   4          HG23      ILE   4   8.846 -14.250  -4.412
   30   HD11  ILE   4          HD11      ILE   4   5.292 -12.542  -2.389
   31   HD12  ILE   4          HD12      ILE   4   4.462 -12.597  -3.955
   32   HD13  ILE   4          HD13      ILE   4   4.354 -13.982  -2.868
   33    H    LEU   5           H        LEU   5   8.131 -14.545   0.017
   34    HA   LEU   5           HA       LEU   5   5.988 -14.380   1.988
   35    HB2  LEU   5           HB2      LEU   5   8.849 -13.338   2.047
   36    HB3  LEU   5           HB3      LEU   5   7.758 -13.398   3.425
   37    HG   LEU   5           HG       LEU   5   8.805 -15.833   1.914
   38   HD11  LEU   5          HD11      LEU   5  10.109 -16.242   3.949
   39   HD12  LEU   5          HD12      LEU   5  10.521 -14.667   3.254
   40   HD13  LEU   5          HD13      LEU   5   9.468 -14.752   4.683
   41   HD21  LEU   5          HD21      LEU   5   7.097 -15.644   4.431
   42   HD22  LEU   5          HD22      LEU   5   6.600 -16.337   2.869
   43   HD23  LEU   5          HD23      LEU   5   7.862 -17.125   3.818
   44    H    ARG   6           H        ARG   6   7.441 -12.075  -0.227
   45    HA   ARG   6           HA       ARG   6   5.298 -10.146   0.300
   46    HB2  ARG   6           HB2      ARG   6   6.917  -8.222   0.537
   47    HB3  ARG   6           HB3      ARG   6   6.793  -9.274   1.937
   48    HG2  ARG   6           HG2      ARG   6   8.908 -10.217   1.636
   49    HG3  ARG   6           HG3      ARG   6   9.009  -9.783  -0.068
   50    HD2  ARG   6           HD2      ARG   6   8.937  -7.671   2.115
   51    HD3  ARG   6           HD3      ARG   6  10.441  -8.434   1.618
   52    HE   ARG   6           HE       ARG   6   8.828  -6.507   0.063
   53   HH11  ARG   6          HH11      ARG   6  11.506  -8.789  -0.145
   54   HH12  ARG   6          HH12      ARG   6  12.084  -8.087  -1.631
   55   HH21  ARG   6          HH21      ARG   6   9.573  -5.728  -1.790
   56   HH22  ARG   6          HH22      ARG   6  11.016  -6.374  -2.559
   57    H    SER   7           H        SER   7   4.925  -8.680  -1.305
   58    HA   SER   7           HA       SER   7   6.685  -8.662  -3.732
   59    HB2  SER   7           HB2      SER   7   4.647  -8.320  -5.070
   60    HB3  SER   7           HB3      SER   7   4.625  -9.866  -4.199
   61    HG   SER   7           HG       SER   7   2.616  -8.731  -4.013
   62    H    SER   8           H        SER   8   5.528  -6.793  -1.171
   63    HA   SER   8           HA       SER   8   5.296  -4.230  -2.579
   64    HB2  SER   8           HB2      SER   8   4.746  -3.429  -0.260
   65    HB3  SER   8           HB3      SER   8   3.685  -4.697  -0.881
   66    HG   SER   8           HG       SER   8   4.273  -5.258   1.218
   67    H    VAL   9           H        VAL   9   6.379  -2.330  -1.630
   68    HA   VAL   9           HA       VAL   9   9.218  -2.790  -0.788
   69    HB   VAL   9           HB       VAL   9   9.836  -0.863  -2.263
   70   HG11  VAL   9          HG11      VAL   9   9.949  -2.147  -4.327
   71   HG12  VAL   9          HG12      VAL   9  10.276  -3.196  -2.942
   72   HG13  VAL   9          HG13      VAL   9   8.693  -3.260  -3.751
   73   HG21  VAL   9          HG21      VAL   9   8.429  -0.140  -4.053
   74   HG22  VAL   9          HG22      VAL   9   7.161  -1.319  -3.646
   75   HG23  VAL   9          HG23      VAL   9   7.490   0.047  -2.567
   76    H    ASN  10           H        ASN  10  10.254  -0.726  -0.013
   77    HA   ASN  10           HA       ASN  10   8.380   0.787   1.766
   78    HB2  ASN  10           HB2      ASN  10   9.789  -0.882   2.943
   79    HB3  ASN  10           HB3      ASN  10  11.238  -0.180   2.224
   80   HD21  ASN  10          HD22      ASN  10  11.959  -0.017   4.533
   81   HD22  ASN  10          HD21      ASN  10  11.454   1.454   5.378
   82    H    HIS  11           H        HIS  11   8.742   3.006   2.062
   83    HA   HIS  11           HA       HIS  11   9.765   4.489  -0.160
   84    HB2  HIS  11           HB2      HIS  11   8.712   5.172   2.576
   85    HB3  HIS  11           HB3      HIS  11   9.560   6.417   1.666
   86    HD2  HIS  11           HD2      HIS  11   6.189   4.683   1.807
   87    HE1  HIS  11           HE1      HIS  11   6.143   7.023  -1.753
   88    HE2  HIS  11           HE2      HIS  11   4.720   5.654  -0.146
   89    H    ARG  12           H        ARG  12  11.500   3.245   2.581
   90    HA   ARG  12           HA       ARG  12  13.884   4.738   2.615
   91    HB2  ARG  12           HB2      ARG  12  13.372   2.773   4.039
   92    HB3  ARG  12           HB3      ARG  12  13.472   1.712   2.617
   93    HG2  ARG  12           HG2      ARG  12  15.865   2.210   2.370
   94    HG3  ARG  12           HG3      ARG  12  15.794   3.356   3.720
   95    HD2  ARG  12           HD2      ARG  12  15.300   1.551   5.287
   96    HD3  ARG  12           HD3      ARG  12  15.066   0.409   3.966
   97    HE   ARG  12           HE       ARG  12  17.354   0.199   3.650
   98   HH11  ARG  12          HH21      ARG  12  16.859   2.688   6.106
   99   HH12  ARG  12          HH22      ARG  12  18.545   2.648   6.569
  100   HH21  ARG  12          HH11      ARG  12  19.469   0.245   4.290
  101   HH22  ARG  12          HH12      ARG  12  19.973   1.308   5.567
  102    H    GLU  13           H        GLU  13  12.734   2.483   0.059
  103    HA   GLU  13           HA       GLU  13  15.197   2.427  -1.437
  104    HB2  GLU  13           HB2      GLU  13  13.298   0.816  -1.566
  105    HB3  GLU  13           HB3      GLU  13  12.321   2.055  -2.368
  106    HG2  GLU  13           HG2      GLU  13  13.919   2.132  -4.244
  107    HG3  GLU  13           HG3      GLU  13  14.965   0.972  -3.422
  108    H    VAL  14           H        VAL  14  12.424   4.698  -1.429
  109    HA   VAL  14           HA       VAL  14  13.405   6.199  -3.757
  110    HB   VAL  14           HB       VAL  14  11.442   7.210  -1.677
  111   HG11  VAL  14          HG11      VAL  14  11.794   7.819  -4.652
  112   HG12  VAL  14          HG12      VAL  14  10.614   8.571  -3.553
  113   HG13  VAL  14          HG13      VAL  14  12.343   8.871  -3.334
  114   HG21  VAL  14          HG21      VAL  14  10.851   5.530  -4.153
  115   HG22  VAL  14          HG22      VAL  14  10.525   5.077  -2.466
  116   HG23  VAL  14          HG23      VAL  14   9.634   6.407  -3.199
  117    H    ASP  15           H        ASP  15  13.586   6.574  -0.166
  118    HA   ASP  15           HA       ASP  15  15.139   8.991  -0.200
  119    HB2  ASP  15           HB2      ASP  15  14.054   8.086   1.819
  120    HB3  ASP  15           HB3      ASP  15  15.151   6.698   1.797
  121    H    GLU  16           H        GLU  16  16.166   5.543  -0.336
  122    HA   GLU  16           HA       GLU  16  18.970   6.005  -0.510
  123    HB2  GLU  16           HB2      GLU  16  18.040   3.818  -0.012
  124    HB3  GLU  16           HB3      GLU  16  17.220   3.750  -1.576
  125    HG2  GLU  16           HG2      GLU  16  19.362   3.696  -2.758
  126    HG3  GLU  16           HG3      GLU  16  20.240   3.928  -1.239
  127    H    ALA  17           H        ALA  17  16.479   5.843  -3.176
  128    HA   ALA  17           HA       ALA  17  18.379   6.159  -5.256
  129    HB1  ALA  17           HB1      ALA  17  16.431   6.818  -6.621
  130    HB2  ALA  17           HB2      ALA  17  16.033   5.433  -5.588
  131    HB3  ALA  17           HB3      ALA  17  15.460   7.059  -5.159
  132    H    ILE  18           H        ILE  18  16.597   8.660  -3.359
  133    HA   ILE  18           HA       ILE  18  17.757  10.956  -4.669
  134    HB   ILE  18           HB       ILE  18  16.702  10.566  -1.840
  135   HG12  ILE  18          HG12      ILE  18  14.939  10.297  -3.493
  136   HG13  ILE  18          HG13      ILE  18  14.727  11.788  -2.597
  137   HG21  ILE  18          HG21      ILE  18  16.526  13.095  -1.793
  138   HG22  ILE  18          HG22      ILE  18  18.166  12.452  -1.678
  139   HG23  ILE  18          HG23      ILE  18  17.588  13.136  -3.210
  140   HD11  ILE  18          HD11      ILE  18  15.689  13.048  -4.566
  141   HD12  ILE  18          HD12      ILE  18  15.746  11.504  -5.454
  142   HD13  ILE  18          HD13      ILE  18  14.195  12.160  -4.909
  143    H    ASP  19           H        ASP  19  18.859   9.146  -1.743
  144    HA   ASP  19           HA       ASP  19  21.229  10.664  -1.318
  145    HB2  ASP  19           HB2      ASP  19  20.237   9.203   0.350
  146    HB3  ASP  19           HB3      ASP  19  20.501   7.791  -0.675
  147    H    ASN  20           H        ASN  20  20.677   7.829  -3.469
  148    HA   ASN  20           HA       ASN  20  23.450   7.561  -4.143
  149    HB2  ASN  20           HB2      ASN  20  21.547   5.817  -4.323
  150    HB3  ASN  20           HB3      ASN  20  21.121   6.597  -5.846
  151   HD21  ASN  20          HD22      ASN  20  22.016   5.357  -7.538
  152   HD22  ASN  20          HD21      ASN  20  23.613   4.626  -7.440
  153    H    ILE  21           H        ILE  21  20.772   9.349  -5.779
  154    HA   ILE  21           HA       ILE  21  22.454  10.370  -7.912
  155    HB   ILE  21           HB       ILE  21  19.831  11.298  -6.691
  156   HG12  ILE  21          HG12      ILE  21  20.454  10.437  -9.542
  157   HG13  ILE  21          HG13      ILE  21  20.106   9.244  -8.286
  158   HG21  ILE  21          HG21      ILE  21  21.521  12.667  -8.827
  159   HG22  ILE  21          HG22      ILE  21  19.779  12.948  -8.668
  160   HG23  ILE  21          HG23      ILE  21  20.852  13.387  -7.345
  161   HD11  ILE  21          HD11      ILE  21  18.202  11.444  -9.168
  162   HD12  ILE  21          HD12      ILE  21  18.077   9.713  -9.521
  163   HD13  ILE  21          HD13      ILE  21  17.903  10.290  -7.853
  164    H    LEU  22           H        LEU  22  21.646  11.656  -4.661
  165    HA   LEU  22           HA       LEU  22  23.062  14.075  -4.756
  166    HB2  LEU  22           HB2      LEU  22  21.452  13.293  -3.018
  167    HB3  LEU  22           HB3      LEU  22  22.613  12.086  -2.488
  168    HG   LEU  22           HG       LEU  22  24.182  13.951  -1.853
  169   HD11  LEU  22          HD11      LEU  22  23.118  16.165  -1.496
  170   HD12  LEU  22          HD12      LEU  22  23.202  15.772  -3.215
  171   HD13  LEU  22          HD13      LEU  22  21.657  15.615  -2.347
  172   HD21  LEU  22          HD21      LEU  22  22.943  14.488   0.215
  173   HD22  LEU  22          HD22      LEU  22  21.436  13.898  -0.522
  174   HD23  LEU  22          HD23      LEU  22  22.778  12.776  -0.198
  175    H    ARG  23           H        ARG  23  24.304  10.835  -3.753
  176    HA   ARG  23           HA       ARG  23  27.052  11.697  -3.436
  177    HB2  ARG  23           HB2      ARG  23  25.670   9.013  -3.719
  178    HB3  ARG  23           HB3      ARG  23  27.440   9.144  -3.654
  179    HG2  ARG  23           HG2      ARG  23  27.286  10.321  -1.485
  180    HG3  ARG  23           HG3      ARG  23  25.529  10.154  -1.494
  181    HD2  ARG  23           HD2      ARG  23  27.466   7.788  -1.589
  182    HD3  ARG  23           HD3      ARG  23  26.808   8.473  -0.106
  183    HE   ARG  23           HE       ARG  23  24.631   7.715  -0.623
  184   HH11  ARG  23          HH21      ARG  23  26.778   6.538  -3.187
  185   HH12  ARG  23          HH22      ARG  23  25.487   5.534  -3.816
  186   HH21  ARG  23          HH12      ARG  23  23.318   6.303  -1.258
  187   HH22  ARG  23          HH11      ARG  23  23.659   5.191  -2.597
  188    H    TYR  24           H        TYR  24  25.411  10.076  -6.245
  189    HA   TYR  24           HA       TYR  24  27.747   9.858  -7.849
  190    HB2  TYR  24           HB2      TYR  24  24.799  10.156  -8.521
  191    HB3  TYR  24           HB3      TYR  24  26.021  10.027  -9.761
  192    HD1  TYR  24           HD1      TYR  24  26.782   7.903  -6.854
  193    HD2  TYR  24           HD2      TYR  24  24.580   8.188 -10.568
  194    HE1  TYR  24           HE1      TYR  24  26.574   5.429  -6.934
  195    HE2  TYR  24           HE2      TYR  24  24.391   5.709 -10.641
  196    HH   TYR  24           HH       TYR  24  24.902   3.719  -9.602
  197    H    THR  25           H        THR  25  25.527  12.636  -7.447
  198    HA   THR  25           HA       THR  25  27.025  14.251  -9.413
  199    HB   THR  25           HB       THR  25  25.426  16.017  -8.863
  200    HG1  THR  25           HG1      THR  25  24.065  14.156  -7.244
  201   HG21  THR  25          HG21      THR  25  24.734  14.445 -10.600
  202   HG22  THR  25          HG22      THR  25  24.084  13.329  -9.386
  203   HG23  THR  25          HG23      THR  25  23.342  14.922  -9.619
  204    H    ASN  26           H        ASN  26  27.735  13.432  -6.280
  205    HA   ASN  26           HA       ASN  26  28.920  14.298  -4.579
  206    HB2  ASN  26           HB2      ASN  26  30.399  15.740  -6.811
  207    HB3  ASN  26           HB3      ASN  26  31.010  15.452  -5.191
  208   HD21  ASN  26          HD22      ASN  26  30.516  14.023  -8.328
  209   HD22  ASN  26          HD21      ASN  26  31.217  12.460  -7.923
  210    H    SER  27           H        SER  27  26.498  15.562  -4.841
  211    HA   SER  27           HA       SER  27  27.008  18.489  -4.432
  212    HB2  SER  27           HB2      SER  27  24.802  18.830  -5.345
  213    HB3  SER  27           HB3      SER  27  25.723  17.803  -6.454
  214    HG   SER  27           HG       SER  27  24.367  16.200  -6.072
  215    H    THR  28           H        THR  28  25.148  19.589  -3.262
  216    HA   THR  28           HA       THR  28  24.255  18.012  -0.874
  217    HB   THR  28           HB       THR  28  25.590  19.876  -0.153
  218    HG1  THR  28           HG1      THR  28  24.068  20.622   1.295
  219   HG21  THR  28          HG21      THR  28  25.258  21.537  -1.918
  220   HG22  THR  28          HG22      THR  28  23.529  21.680  -1.499
  221   HG23  THR  28          HG23      THR  28  24.777  22.201  -0.356
  222    H    GLU  29           H        GLU  29  22.011  18.196  -0.257
  223    HA   GLU  29           HA       GLU  29  20.405  17.789  -2.555
  224    HB2  GLU  29           HB2      GLU  29  18.506  17.559  -0.922
  225    HB3  GLU  29           HB3      GLU  29  19.898  16.504  -0.701
  226    HG2  GLU  29           HG2      GLU  29  20.703  17.844   1.166
  227    HG3  GLU  29           HG3      GLU  29  19.450  19.053   0.890
  228    H    GLN  30           H        GLN  30  20.891  20.812  -0.846
  229    HA   GLN  30           HA       GLN  30  18.619  22.195  -2.005
  230    HB2  GLN  30           HB2      GLN  30  21.330  23.201  -1.041
  231    HB3  GLN  30           HB3      GLN  30  19.970  24.232  -1.514
  232    HG2  GLN  30           HG2      GLN  30  18.567  23.213   0.268
  233    HG3  GLN  30           HG3      GLN  30  19.929  22.213   0.778
  234   HE21  GLN  30          HE22      GLN  30  18.987  23.619   2.804
  235   HE22  GLN  30          HE21      GLN  30  19.962  25.051   3.111
  236    H    GLN  31           H        GLN  31  21.866  21.382  -3.285
  237    HA   GLN  31           HA       GLN  31  21.603  23.058  -5.686
  238    HB2  GLN  31           HB2      GLN  31  23.427  20.713  -5.047
  239    HB3  GLN  31           HB3      GLN  31  23.536  21.724  -6.484
  240    HG2  GLN  31           HG2      GLN  31  24.146  23.671  -5.226
  241    HG3  GLN  31           HG3      GLN  31  23.818  22.883  -3.686
  242   HE21  GLN  31          HE22      GLN  31  26.404  24.093  -4.716
  243   HE22  GLN  31          HE21      GLN  31  27.546  22.767  -4.558
  244    H    PHE  32           H        PHE  32  21.058  19.593  -4.847
  245    HA   PHE  32           HA       PHE  32  20.173  18.812  -7.462
  246    HB2  PHE  32           HB2      PHE  32  20.916  17.274  -5.680
  247    HB3  PHE  32           HB3      PHE  32  19.497  17.689  -4.732
  248    HD1  PHE  32           HD1      PHE  32  18.828  17.221  -8.349
  249    HD2  PHE  32           HD2      PHE  32  19.333  15.194  -4.570
  250    HE1  PHE  32           HE1      PHE  32  17.571  15.289  -9.215
  251    HE2  PHE  32           HE2      PHE  32  18.089  13.240  -5.469
  252    HZ   PHE  32           HZ       PHE  32  17.157  13.309  -7.772
  253    H    LEU  33           H        LEU  33  18.308  20.094  -4.642
  254    HA   LEU  33           HA       LEU  33  15.778  20.145  -5.899
  255    HB2  LEU  33           HB2      LEU  33  16.259  20.517  -3.506
  256    HB3  LEU  33           HB3      LEU  33  16.956  22.076  -3.856
  257    HG   LEU  33           HG       LEU  33  14.671  22.138  -2.867
  258   HD11  LEU  33          HD11      LEU  33  14.574  23.399  -5.620
  259   HD12  LEU  33          HD12      LEU  33  13.771  23.902  -4.134
  260   HD13  LEU  33          HD13      LEU  33  15.534  24.039  -4.261
  261   HD21  LEU  33          HD21      LEU  33  13.683  21.103  -5.555
  262   HD22  LEU  33          HD22      LEU  33  13.719  20.162  -4.040
  263   HD23  LEU  33          HD23      LEU  33  12.707  21.613  -4.168
  264    H    GLU  34           H        GLU  34  18.278  22.726  -5.895
  265    HA   GLU  34           HA       GLU  34  16.842  24.508  -7.568
  266    HB2  GLU  34           HB2      GLU  34  18.812  25.083  -6.168
  267    HB3  GLU  34           HB3      GLU  34  19.857  24.191  -7.283
  268    HG2  GLU  34           HG2      GLU  34  19.257  25.749  -9.109
  269    HG3  GLU  34           HG3      GLU  34  18.117  26.576  -8.042
  270    H    ALA  35           H        ALA  35  19.111  21.901  -8.515
  271    HA   ALA  35           HA       ALA  35  18.994  22.434 -11.331
  272    HB1  ALA  35           HB1      ALA  35  20.002  20.209 -11.530
  273    HB2  ALA  35           HB2      ALA  35  20.765  21.113 -10.216
  274    HB3  ALA  35           HB3      ALA  35  19.588  19.833  -9.841
  275    H    MET  36           H        MET  36  16.968  20.305  -9.237
  276    HA   MET  36           HA       MET  36  15.309  19.319 -11.406
  277    HB2  MET  36           HB2      MET  36  15.025  19.437  -8.380
  278    HB3  MET  36           HB3      MET  36  13.777  18.746  -9.413
  279    HG2  MET  36           HG2      MET  36  16.669  17.838  -9.558
  280    HG3  MET  36           HG3      MET  36  15.520  17.131  -8.439
  281    HE1  MET  36           HE1      MET  36  13.922  15.303  -8.926
  282    HE2  MET  36           HE2      MET  36  12.895  16.577  -9.608
  283    HE3  MET  36           HE3      MET  36  13.111  15.059 -10.497
  284    H    GLU  37           H        GLU  37  14.916  22.086  -9.130
  285    HA   GLU  37           HA       GLU  37  12.372  22.922 -10.116
  286    HB2  GLU  37           HB2      GLU  37  13.641  23.629  -7.979
  287    HB3  GLU  37           HB3      GLU  37  14.591  24.690  -9.011
  288    HG2  GLU  37           HG2      GLU  37  12.994  26.129  -8.203
  289    HG3  GLU  37           HG3      GLU  37  12.250  25.680  -9.731
  290    H    SER  38           H        SER  38  15.702  23.731 -11.195
  291    HA   SER  38           HA       SER  38  14.910  25.642 -13.201
  292    HB2  SER  38           HB2      SER  38  17.455  23.977 -13.001
  293    HB3  SER  38           HB3      SER  38  17.214  25.410 -14.014
  294    HG   SER  38           HG       SER  38  17.273  25.220 -11.184
  295    H    THR  39           H        THR  39  14.870  22.147 -13.263
  296    HA   THR  39           HA       THR  39  14.661  22.117 -16.256
  297    HB   THR  39           HB       THR  39  15.249  19.719 -16.072
  298    HG1  THR  39           HG1      THR  39  16.059  20.239 -13.441
  299   HG21  THR  39          HG21      THR  39  17.049  21.298 -16.514
  300   HG22  THR  39          HG22      THR  39  17.258  21.619 -14.784
  301   HG23  THR  39          HG23      THR  39  17.613  20.003 -15.428
  302    H    GLY  40           H        GLY  40  12.557  22.113 -13.670
  303    HA2  GLY  40           HA2      GLY  40  10.307  21.616 -13.573
  304    HA3  GLY  40           HA3      GLY  40  10.349  21.065 -15.252
  305    H    GLY  41           H        GLY  41  12.446  19.737 -12.702
  306    HA2  GLY  41           HA2      GLY  41  12.413  17.750 -11.556
  307    HA3  GLY  41           HA3      GLY  41  10.780  17.417 -12.139
  308    H    ARG  42           H        ARG  42  13.203  18.010 -14.620
  309    HA   ARG  42           HA       ARG  42  13.013  15.182 -15.518
  310    HB2  ARG  42           HB2      ARG  42  14.069  17.785 -16.655
  311    HB3  ARG  42           HB3      ARG  42  14.709  16.281 -17.292
  312    HG2  ARG  42           HG2      ARG  42  11.726  16.840 -17.163
  313    HG3  ARG  42           HG3      ARG  42  12.751  17.275 -18.544
  314    HD2  ARG  42           HD2      ARG  42  13.491  14.817 -18.618
  315    HD3  ARG  42           HD3      ARG  42  12.172  14.462 -17.508
  316    HE   ARG  42           HE       ARG  42  12.011  15.116 -20.351
  317   HH11  ARG  42          HH22      ARG  42  10.030  15.094 -17.444
  318   HH12  ARG  42          HH21      ARG  42   8.553  15.018 -18.365
  319   HH21  ARG  42          HH12      ARG  42  10.098  15.029 -21.430
  320   HH22  ARG  42          HH11      ARG  42   8.593  14.995 -20.560
  321    H    VAL  43           H        VAL  43  14.027  14.001 -13.962
  322    HA   VAL  43           HA       VAL  43  16.320  14.622 -12.509
  323    HB   VAL  43           HB       VAL  43  15.535  11.821 -13.420
  324   HG11  VAL  43          HG11      VAL  43  17.777  11.844 -12.349
  325   HG12  VAL  43          HG12      VAL  43  17.128  12.799 -10.995
  326   HG13  VAL  43          HG13      VAL  43  16.588  11.127 -11.264
  327   HG21  VAL  43          HG21      VAL  43  14.266  11.683 -11.335
  328   HG22  VAL  43          HG22      VAL  43  14.706  13.362 -10.928
  329   HG23  VAL  43          HG23      VAL  43  13.642  13.018 -12.307
  330    H    ARG  44           H        ARG  44  16.317  12.941 -15.715
  331    HA   ARG  44           HA       ARG  44  19.132  12.573 -15.823
  332    HB2  ARG  44           HB2      ARG  44  18.852  12.099 -18.135
  333    HB3  ARG  44           HB3      ARG  44  17.526  11.389 -17.228
  334    HG2  ARG  44           HG2      ARG  44  16.056  13.350 -17.991
  335    HG3  ARG  44           HG3      ARG  44  17.407  13.867 -19.007
  336    HD2  ARG  44           HD2      ARG  44  15.995  11.173 -19.161
  337    HD3  ARG  44           HD3      ARG  44  15.710  12.527 -20.245
  338    HE   ARG  44           HE       ARG  44  18.013  10.689 -20.210
  339   HH11  ARG  44          HH12      ARG  44  16.803  13.665 -21.631
  340   HH12  ARG  44          HH11      ARG  44  17.965  13.621 -22.925
  341   HH21  ARG  44          HH21      ARG  44  19.461  10.701 -21.869
  342   HH22  ARG  44          HH22      ARG  44  19.431  11.973 -23.055
  343    H    ILE  45           H        ILE  45  17.243  15.425 -16.791
  344    HA   ILE  45           HA       ILE  45  19.582  16.788 -17.939
  345    HB   ILE  45           HB       ILE  45  16.869  17.973 -17.239
  346   HG12  ILE  45          HG12      ILE  45  17.844  16.754 -19.871
  347   HG13  ILE  45          HG13      ILE  45  16.590  16.090 -18.832
  348   HG21  ILE  45          HG21      ILE  45  17.506  19.751 -18.811
  349   HG22  ILE  45          HG22      ILE  45  18.770  19.619 -17.598
  350   HG23  ILE  45          HG23      ILE  45  19.020  18.914 -19.204
  351   HD11  ILE  45          HD11      ILE  45  15.475  17.141 -20.637
  352   HD12  ILE  45          HD12      ILE  45  15.214  18.172 -19.217
  353   HD13  ILE  45          HD13      ILE  45  16.402  18.630 -20.466
  354    H    ALA  46           H        ALA  46  17.781  16.823 -14.852
  355    HA   ALA  46           HA       ALA  46  19.156  18.994 -13.637
  356    HB1  ALA  46           HB1      ALA  46  17.853  16.542 -12.361
  357    HB2  ALA  46           HB2      ALA  46  18.222  18.081 -11.552
  358    HB3  ALA  46           HB3      ALA  46  17.008  18.025 -12.842
  359    H    ILE  47           H        ILE  47  19.830  15.421 -13.406
  360    HA   ILE  47           HA       ILE  47  22.253  15.871 -11.907
  361    HB   ILE  47           HB       ILE  47  22.751  13.558 -12.131
  362   HG12  ILE  47          HG12      ILE  47  20.629  13.417 -14.287
  363   HG13  ILE  47          HG13      ILE  47  22.355  13.145 -14.472
  364   HG21  ILE  47          HG21      ILE  47  20.968  14.334 -10.574
  365   HG22  ILE  47          HG22      ILE  47  19.745  13.861 -11.759
  366   HG23  ILE  47          HG23      ILE  47  20.810  12.639 -11.059
  367   HD11  ILE  47          HD11      ILE  47  22.173  11.154 -12.950
  368   HD12  ILE  47          HD12      ILE  47  20.402  11.372 -12.964
  369   HD13  ILE  47          HD13      ILE  47  21.264  11.015 -14.466
  370    H    ALA  48           H        ALA  48  21.663  15.528 -15.459
  371    HA   ALA  48           HA       ALA  48  24.377  15.595 -16.257
  372    HB1  ALA  48           HB1      ALA  48  21.861  16.709 -17.579
  373    HB2  ALA  48           HB2      ALA  48  23.426  16.480 -18.399
  374    HB3  ALA  48           HB3      ALA  48  22.545  15.080 -17.772
  375    H    LYS  49           H        LYS  49  22.180  18.418 -15.677
  376    HA   LYS  49           HA       LYS  49  24.236  20.390 -16.267
  377    HB2  LYS  49           HB2      LYS  49  21.506  20.554 -14.940
  378    HB3  LYS  49           HB3      LYS  49  22.596  21.954 -15.119
  379    HG2  LYS  49           HG2      LYS  49  22.817  21.409 -17.561
  380    HG3  LYS  49           HG3      LYS  49  21.547  20.197 -17.388
  381    HD2  LYS  49           HD2      LYS  49  19.910  21.926 -16.816
  382    HD3  LYS  49           HD3      LYS  49  21.197  23.158 -16.720
  383    HE2  LYS  49           HE2      LYS  49  21.825  22.647 -19.078
  384    HE3  LYS  49           HE3      LYS  49  20.459  21.537 -19.200
  385    HZ1  LYS  49           HZ1      LYS  49  18.959  23.455 -18.778
  386    HZ2  LYS  49           HZ2      LYS  49  20.240  24.473 -18.693
  387    HZ3  LYS  49           HZ3      LYS  49  19.875  23.726 -20.099
  388    H    LEU  50           H        LEU  50  23.071  18.923 -13.209
  389    HA   LEU  50           HA       LEU  50  24.752  20.476 -11.503
  390    HB2  LEU  50           HB2      LEU  50  22.713  19.229 -10.880
  391    HB3  LEU  50           HB3      LEU  50  23.553  17.702 -11.165
  392    HG   LEU  50           HG       LEU  50  25.024  18.115  -9.252
  393   HD11  LEU  50          HD11      LEU  50  25.226  20.563  -9.279
  394   HD12  LEU  50          HD12      LEU  50  23.492  20.737  -8.911
  395   HD13  LEU  50          HD13      LEU  50  24.607  20.012  -7.725
  396   HD21  LEU  50          HD21      LEU  50  22.081  18.677  -8.664
  397   HD22  LEU  50          HD22      LEU  50  22.770  17.071  -8.957
  398   HD23  LEU  50          HD23      LEU  50  23.248  17.992  -7.518
  399    H    LEU  51           H        LEU  51  25.405  17.373 -13.207
  400    HA   LEU  51           HA       LEU  51  28.087  17.050 -12.174
  401    HB2  LEU  51           HB2      LEU  51  26.632  16.040 -14.642
  402    HB3  LEU  51           HB3      LEU  51  28.316  15.649 -14.343
  403    HG   LEU  51           HG       LEU  51  26.143  15.021 -12.315
  404   HD11  LEU  51          HD11      LEU  51  27.296  13.209 -14.484
  405   HD12  LEU  51          HD12      LEU  51  26.173  12.722 -13.189
  406   HD13  LEU  51          HD13      LEU  51  25.641  13.858 -14.434
  407   HD21  LEU  51          HD21      LEU  51  27.805  13.355 -11.525
  408   HD22  LEU  51          HD22      LEU  51  28.969  13.956 -12.719
  409   HD23  LEU  51          HD23      LEU  51  28.422  15.005 -11.396
  410    H    SER  52           H        SER  52  26.835  18.700 -15.142
  411    HA   SER  52           HA       SER  52  29.361  19.554 -16.124
  412    HB2  SER  52           HB2      SER  52  27.181  19.671 -17.336
  413    HB3  SER  52           HB3      SER  52  26.707  21.037 -16.308
  414    HG   SER  52           HG       SER  52  27.669  21.686 -18.339
  415    H    LYS  53           H        LYS  53  27.233  21.059 -13.697
  416    HA   LYS  53           HA       LYS  53  29.101  23.265 -13.155
  417    HB2  LYS  53           HB2      LYS  53  26.408  22.509 -11.962
  418    HB3  LYS  53           HB3      LYS  53  27.344  23.935 -11.496
  419    HG2  LYS  53           HG2      LYS  53  27.314  24.751 -13.840
  420    HG3  LYS  53           HG3      LYS  53  26.298  23.379 -14.307
  421    HD2  LYS  53           HD2      LYS  53  24.536  24.133 -12.731
  422    HD3  LYS  53           HD3      LYS  53  25.569  25.491 -12.224
  423    HE2  LYS  53           HE2      LYS  53  25.607  26.305 -14.600
  424    HE3  LYS  53           HE3      LYS  53  24.503  24.999 -15.048
  425    HZ1  LYS  53           HZ1      LYS  53  22.852  25.972 -13.505
  426    HZ2  LYS  53           HZ2      LYS  53  23.889  27.177 -13.101
  427    HZ3  LYS  53           HZ3      LYS  53  23.304  27.079 -14.617
  428    H    GLN  54           H        GLN  54  29.655  20.244 -12.346
  429    HA   GLN  54           HA       GLN  54  30.037  20.386  -9.486
  430    HB2  GLN  54           HB2      GLN  54  29.557  18.331 -10.929
  431    HB3  GLN  54           HB3      GLN  54  31.259  18.368 -11.390
  432    HG2  GLN  54           HG2      GLN  54  31.727  18.243  -8.813
  433    HG3  GLN  54           HG3      GLN  54  30.010  17.887  -8.653
  434   HE21  GLN  54          HE22      GLN  54  33.055  16.753 -10.238
  435   HE22  GLN  54          HE21      GLN  54  32.538  15.076 -10.336
  436    H    THR  55           H        THR  55  31.218  22.583 -10.402
  437    HA   THR  55           HA       THR  55  33.994  22.443  -9.475
  438    HB   THR  55           HB       THR  55  34.157  21.835 -11.870
  439    HG1  THR  55           HG1      THR  55  35.254  24.364 -11.201
  440   HG21  THR  55          HG21      THR  55  32.257  23.081 -12.803
  441   HG22  THR  55          HG22      THR  55  33.085  24.620 -12.477
  442   HG23  THR  55          HG23      THR  55  33.762  23.465 -13.640
  443    H    SER  56           H        SER  56  31.042  24.150  -9.922
  444    HA   SER  56           HA       SER  56  32.197  26.828  -9.803
  445    HB2  SER  56           HB2      SER  56  29.293  25.972  -9.951
  446    HB3  SER  56           HB3      SER  56  29.965  27.580 -10.298
  447    HG   SER  56           HG       SER  56  29.655  26.455 -12.236
  448    H    GLY  57           H        GLY  57  31.906  24.855  -7.293
  449    HA2  GLY  57           HA2      GLY  57  30.190  26.140  -5.412
  450    HA3  GLY  57           HA3      GLY  57  31.529  25.069  -5.023
  451    H    GLY  58           H        GLY  58  30.609  27.506  -3.663
  452    HA2  GLY  58           HA2      GLY  58  32.436  29.696  -4.148
  453    HA3  GLY  58           HA3      GLY  58  31.354  29.514  -2.773
  454    H    SER  59           H        SER  59  33.929  30.597  -2.613
  455    HA   SER  59           HA       SER  59  35.749  28.602  -1.449
  456    HB2  SER  59           HB2      SER  59  37.320  30.495  -1.355
  457    HB3  SER  59           HB3      SER  59  36.648  30.243  -2.972
  458    HG   SER  59           HG       SER  59  36.636  32.475  -2.360
  459    H    GLY  60           H        GLY  60  33.248  30.510  -0.176
  460    HA2  GLY  60           HA2      GLY  60  34.369  31.348   2.329
  461    HA3  GLY  60           HA3      GLY  60  32.658  31.220   1.941
  462    H    GLY  61           H        GLY  61  33.618  30.670   4.457
  463    HA2  GLY  61           HA2      GLY  61  34.016  27.841   4.983
  464    HA3  GLY  61           HA3      GLY  61  33.694  29.104   6.163
  465    H    SER  62           H        SER  62  32.609  26.772   6.681
  466    HA   SER  62           HA       SER  62  29.686  27.137   6.324
  467    HB2  SER  62           HB2      SER  62  29.385  24.747   5.852
  468    HB3  SER  62           HB3      SER  62  30.343  25.543   4.596
  469    HG   SER  62           HG       SER  62  31.270  23.530   5.231
  470    H    LYS  63           H        LYS  63  28.396  25.836   7.834
  471    HA   LYS  63           HA       LYS  63  29.354  26.057  10.549
  472    HB2  LYS  63           HB2      LYS  63  26.992  26.414   9.858
  473    HB3  LYS  63           HB3      LYS  63  26.869  24.730   9.386
  474    HG2  LYS  63           HG2      LYS  63  25.775  25.043  11.510
  475    HG3  LYS  63           HG3      LYS  63  27.164  23.999  11.714
  476    HD2  LYS  63           HD2      LYS  63  26.985  25.531  13.597
  477    HD3  LYS  63           HD3      LYS  63  28.463  25.835  12.712
  478    HE2  LYS  63           HE2      LYS  63  27.549  27.953  13.317
  479    HE3  LYS  63           HE3      LYS  63  27.371  27.796  11.571
  480    HZ1  LYS  63           HZ1      LYS  63  25.343  28.650  12.635
  481    HZ2  LYS  63           HZ2      LYS  63  25.006  27.214  11.948
  482    HZ3  LYS  63           HZ3      LYS  63  25.203  27.326  13.572
  483    H    LEU  64           H        LEU  64  30.119  24.567  11.943
  484    HA   LEU  64           HA       LEU  64  30.249  21.684  11.179
  485    HB2  LEU  64           HB2      LEU  64  32.419  23.377  12.480
  486    HB3  LEU  64           HB3      LEU  64  32.482  21.626  12.335
  487    HG   LEU  64           HG       LEU  64  32.402  23.543   9.961
  488   HD11  LEU  64          HD11      LEU  64  34.777  22.982   9.689
  489   HD12  LEU  64          HD12      LEU  64  34.488  23.749  11.258
  490   HD13  LEU  64          HD13      LEU  64  34.729  21.989  11.166
  491   HD21  LEU  64          HD21      LEU  64  32.946  20.543  10.107
  492   HD22  LEU  64          HD22      LEU  64  31.520  21.314   9.376
  493   HD23  LEU  64          HD23      LEU  64  33.111  21.556   8.657
  494    H    GLY  65           H        GLY  65  30.091  20.191  12.843
  495    HA2  GLY  65           HA2      GLY  65  29.494  19.316  14.894
  496    HA3  GLY  65           HA3      GLY  65  29.865  20.864  15.639
  497    H    GLY  66           H        GLY  66  28.015  20.133  16.974
  498    HA2  GLY  66           HA2      GLY  66  25.903  20.718  17.757
  499    HA3  GLY  66           HA3      GLY  66  25.516  21.455  16.210
  500    H    SER  67           H        SER  67  23.499  20.258  17.224
  501    HA   SER  67           HA       SER  67  23.236  17.431  16.979
  502    HB2  SER  67           HB2      SER  67  21.065  19.560  16.983
  503    HB3  SER  67           HB3      SER  67  20.842  17.831  17.309
  504    HG   SER  67           HG       SER  67  21.040  19.069  19.255
  505    H    GLY  68           H        GLY  68  22.052  16.133  15.552
  506    HA2  GLY  68           HA2      GLY  68  22.168  16.761  12.721
  507    HA3  GLY  68           HA3      GLY  68  21.487  15.317  13.464
  508    H    GLY  69           H        GLY  69  20.161  16.047  11.382
  509    HA2  GLY  69           HA2      GLY  69  18.086  18.017  11.654
  510    HA3  GLY  69           HA3      GLY  69  18.129  16.698  10.492
  511    H    SER  70           H        SER  70  15.778  17.635  11.706
  512    HA   SER  70           HA       SER  70  14.994  15.925  13.930
  513    HB2  SER  70           HB2      SER  70  12.818  17.093  13.661
  514    HB3  SER  70           HB3      SER  70  14.208  18.177  13.843
  515    HG   SER  70           HG       SER  70  12.993  18.957  12.140
  516    H    ARG  71           H        ARG  71  14.830  15.576  10.483
  517    HA   ARG  71           HA       ARG  71  12.725  13.483  10.577
  518    HB2  ARG  71           HB2      ARG  71  14.279  14.753   8.281
  519    HB3  ARG  71           HB3      ARG  71  13.184  13.378   8.080
  520    HG2  ARG  71           HG2      ARG  71  11.339  14.700   9.100
  521    HG3  ARG  71           HG3      ARG  71  12.396  16.117   9.179
  522    HD2  ARG  71           HD2      ARG  71  11.799  14.631   6.584
  523    HD3  ARG  71           HD3      ARG  71  10.761  15.909   7.185
  524    HE   ARG  71           HE       ARG  71  13.452  16.212   6.023
  525   HH11  ARG  71          HH11      ARG  71  11.020  17.874   7.960
  526   HH12  ARG  71          HH12      ARG  71  11.371  19.407   7.178
  527   HH21  ARG  71          HH21      ARG  71  13.887  18.247   5.194
  528   HH22  ARG  71          HH22      ARG  71  13.067  19.639   5.871
  529    H    LYS  72           H        LYS  72  13.001  11.395   9.815
  530    HA   LYS  72           HA       LYS  72  15.689  10.170   9.742
  531    HB2  LYS  72           HB2      LYS  72  15.195   8.589  11.538
  532    HB3  LYS  72           HB3      LYS  72  15.159  10.240  12.139
  533    HG2  LYS  72           HG2      LYS  72  12.671  10.227  12.075
  534    HG3  LYS  72           HG3      LYS  72  12.695   8.568  11.450
  535    HD2  LYS  72           HD2      LYS  72  13.852   7.807  13.506
  536    HD3  LYS  72           HD3      LYS  72  13.821   9.469  14.140
  537    HE2  LYS  72           HE2      LYS  72  11.331   9.454  14.026
  538    HE3  LYS  72           HE3      LYS  72  11.365   7.805  13.390
  539    HZ1  LYS  72           HZ1      LYS  72  12.369   8.613  16.079
  540    HZ2  LYS  72           HZ2      LYS  72  10.976   7.819  15.794
  541    HZ3  LYS  72           HZ3      LYS  72  12.401   7.087  15.492
  542    H    ASP  73           H        ASP  73  15.561   7.794   9.328
  543    HA   ASP  73           HA       ASP  73  13.883   7.280   7.031
  544    HB2  ASP  73           HB2      ASP  73  16.227   6.492   7.311
  545    HB3  ASP  73           HB3      ASP  73  15.685   5.406   8.596
  546    H    LEU  74           H        LEU  74  12.592   5.287   6.764
  547    HA   LEU  74           HA       LEU  74  10.842   4.716   9.104
  548    HB2  LEU  74           HB2      LEU  74   8.894   5.356   7.987
  549    HB3  LEU  74           HB3      LEU  74  10.014   6.690   7.793
  550    HG   LEU  74           HG       LEU  74   9.295   4.620   5.660
  551   HD11  LEU  74          HD11      LEU  74   8.093   6.476   4.599
  552   HD12  LEU  74          HD12      LEU  74   7.472   6.183   6.229
  553   HD13  LEU  74          HD13      LEU  74   8.555   7.558   5.932
  554   HD21  LEU  74          HD21      LEU  74  10.408   6.250   4.076
  555   HD22  LEU  74          HD22      LEU  74  11.083   7.081   5.489
  556   HD23  LEU  74          HD23      LEU  74  11.522   5.390   5.136
  557    H    SER  75           H        SER  75   9.311   3.016   8.854
  558    HA   SER  75           HA       SER  75  10.037   0.874   6.888
  559    HB2  SER  75           HB2      SER  75   9.431   0.571   9.845
  560    HB3  SER  75           HB3      SER  75   9.584  -0.765   8.680
  561    HG   SER  75           HG       SER  75  11.560  -0.336   9.813
  562    H    VAL  76           H        VAL  76   8.367   1.456   5.503
  563    HA   VAL  76           HA       VAL  76   5.616   0.697   6.396
  564    HB   VAL  76           HB       VAL  76   4.659   2.463   5.013
  565   HG11  VAL  76          HG11      VAL  76   5.076   2.888   7.421
  566   HG12  VAL  76          HG12      VAL  76   6.623   3.659   7.002
  567   HG13  VAL  76          HG13      VAL  76   5.094   4.360   6.437
  568   HG21  VAL  76          HG21      VAL  76   7.496   3.511   4.631
  569   HG22  VAL  76          HG22      VAL  76   6.469   2.804   3.366
  570   HG23  VAL  76          HG23      VAL  76   5.994   4.323   4.145
  571    H    LYS  77           H        LYS  77   4.164   0.227   4.478
  572    HA   LYS  77           HA       LYS  77   5.675  -1.212   2.317
  573    HB2  LYS  77           HB2      LYS  77   3.062  -1.999   3.665
  574    HB3  LYS  77           HB3      LYS  77   3.839  -2.849   2.321
  575    HG2  LYS  77           HG2      LYS  77   5.827  -3.294   3.747
  576    HG3  LYS  77           HG3      LYS  77   5.036  -2.461   5.100
  577    HD2  LYS  77           HD2      LYS  77   3.192  -4.116   5.058
  578    HD3  LYS  77           HD3      LYS  77   3.985  -4.965   3.710
  579    HE2  LYS  77           HE2      LYS  77   5.976  -5.378   5.132
  580    HE3  LYS  77           HE3      LYS  77   5.220  -4.504   6.470
  581    HZ1  LYS  77           HZ1      LYS  77   4.165  -7.019   5.262
  582    HZ2  LYS  77           HZ2      LYS  77   4.915  -6.901   6.708
  583    HZ3  LYS  77           HZ3      LYS  77   3.455  -6.203   6.492
  584    H    GLY  78           H        GLY  78   5.129  -0.912   0.264
  585    HA2  GLY  78           HA2      GLY  78   2.486   0.033  -0.605
  586    HA3  GLY  78           HA3      GLY  78   3.799   1.182  -0.844
  587    H    MET  79           H        MET  79   2.718   0.677  -3.071
  588    HA   MET  79           HA       MET  79   3.711  -1.713  -4.471
  589    HB2  MET  79           HB2      MET  79   2.206   0.745  -5.454
  590    HB3  MET  79           HB3      MET  79   2.609  -0.661  -6.445
  591    HG2  MET  79           HG2      MET  79   1.339  -2.120  -4.883
  592    HG3  MET  79           HG3      MET  79   0.834  -0.699  -3.974
  593    HE1  MET  79           HE1      MET  79   0.100   1.501  -6.205
  594    HE2  MET  79           HE2      MET  79  -1.624   1.129  -6.383
  595    HE3  MET  79           HE3      MET  79  -0.871   1.088  -4.774
  596    H    LEU  80           H        LEU  80   4.957  -1.568  -6.474
  597    HA   LEU  80           HA       LEU  80   7.491  -0.472  -6.064
  598    HB2  LEU  80           HB2      LEU  80   6.982  -2.426  -7.455
  599    HB3  LEU  80           HB3      LEU  80   6.164  -1.394  -8.632
  600    HG   LEU  80           HG       LEU  80   8.326  -0.251  -9.127
  601   HD11  LEU  80          HD11      LEU  80   9.552  -0.605  -7.011
  602   HD12  LEU  80          HD12      LEU  80   9.505  -2.361  -7.268
  603   HD13  LEU  80          HD13      LEU  80  10.441  -1.315  -8.357
  604   HD21  LEU  80          HD21      LEU  80   9.334  -2.135 -10.345
  605   HD22  LEU  80          HD22      LEU  80   8.405  -3.287  -9.359
  606   HD23  LEU  80          HD23      LEU  80   7.569  -2.179 -10.470
  607    H    TYR  81           H        TYR  81   8.375   1.482  -6.303
  608    HA   TYR  81           HA       TYR  81   6.815   3.704  -7.177
  609    HB2  TYR  81           HB2      TYR  81   9.772   3.669  -6.500
  610    HB3  TYR  81           HB3      TYR  81   8.679   5.039  -6.428
  611    HD1  TYR  81           HD2      TYR  81   6.548   4.712  -4.846
  612    HD2  TYR  81           HD1      TYR  81  10.225   2.477  -4.508
  613    HE1  TYR  81           HE2      TYR  81   5.952   4.096  -2.518
  614    HE2  TYR  81           HE1      TYR  81   9.625   1.865  -2.169
  615    HH   TYR  81           HH       TYR  81   6.564   2.939  -0.636
  616    H    ASP  82           H        ASP  82   9.463   1.960  -8.716
  617    HA   ASP  82           HA       ASP  82  10.578   2.092 -10.652
  618    HB2  ASP  82           HB2      ASP  82   8.266   1.990 -11.602
  619    HB3  ASP  82           HB3      ASP  82   8.289   3.749 -11.754
  620    H    SER  83           H        SER  83  11.607   3.657 -12.312
  621    HA   SER  83           HA       SER  83  12.989   5.777 -10.825
  622    HB2  SER  83           HB2      SER  83  13.304   4.818 -13.692
  623    HB3  SER  83           HB3      SER  83  14.336   6.011 -12.890
  624    HG   SER  83           HG       SER  83  13.986   3.277 -12.116
  625    H    ASP  84           H        ASP  84  10.478   6.536 -10.794
  626    HA   ASP  84           HA       ASP  84   9.633   8.153 -13.070
  627    HB2  ASP  84           HB2      ASP  84   8.003   6.825 -11.967
  628    HB3  ASP  84           HB3      ASP  84   8.490   7.419 -10.376
  629    H    SER  85           H        SER  85   9.778  10.281 -13.345
  630    HA   SER  85           HA       SER  85  11.469  11.959 -11.818
  631    HB2  SER  85           HB2      SER  85  10.414  13.784 -13.232
  632    HB3  SER  85           HB3      SER  85  11.092  12.424 -14.138
  633    HG   SER  85           HG       SER  85   8.989  12.974 -14.904
  634    H    GLN  86           H        GLN  86   7.875  11.729 -11.774
  635    HA   GLN  86           HA       GLN  86   7.575  14.058 -10.124
  636    HB2  GLN  86           HB2      GLN  86   5.632  11.777 -10.696
  637    HB3  GLN  86           HB3      GLN  86   5.218  13.298  -9.895
  638    HG2  GLN  86           HG2      GLN  86   5.927  14.552 -11.934
  639    HG3  GLN  86           HG3      GLN  86   6.274  13.025 -12.749
  640   HE21  GLN  86          HE22      GLN  86   3.595  14.959 -11.279
  641   HE22  GLN  86          HE21      GLN  86   2.348  14.172 -12.232
  642    H    GLN  87           H        GLN  87   7.541  10.552  -9.206
  643    HA   GLN  87           HA       GLN  87   7.149  11.095  -6.394
  644    HB2  GLN  87           HB2      GLN  87   8.297   8.745  -7.933
  645    HB3  GLN  87           HB3      GLN  87   8.159   8.743  -6.172
  646    HG2  GLN  87           HG2      GLN  87   5.791   8.864  -6.205
  647    HG3  GLN  87           HG3      GLN  87   5.735   9.333  -7.910
  648   HE21  GLN  87          HE22      GLN  87   6.507   7.755  -9.497
  649   HE22  GLN  87          HE21      GLN  87   6.513   6.021  -9.120
  650    H    ILE  88           H        ILE  88  10.178  10.765  -8.343
  651    HA   ILE  88           HA       ILE  88  11.927  11.111  -6.074
  652    HB   ILE  88           HB       ILE  88  12.208  11.114  -9.056
  653   HG12  ILE  88          HG12      ILE  88  14.078   9.607  -8.502
  654   HG13  ILE  88          HG13      ILE  88  13.852   9.936  -6.782
  655   HG21  ILE  88          HG21      ILE  88  14.617  11.802  -8.903
  656   HG22  ILE  88          HG22      ILE  88  13.466  13.120  -8.691
  657   HG23  ILE  88          HG23      ILE  88  14.300  12.430  -7.276
  658   HD11  ILE  88          HD11      ILE  88  12.960   7.736  -7.421
  659   HD12  ILE  88          HD12      ILE  88  11.644   8.785  -6.866
  660   HD13  ILE  88          HD13      ILE  88  11.878   8.495  -8.606
  661    H    LEU  89           H        LEU  89  10.608  13.534  -8.396
  662    HA   LEU  89           HA       LEU  89  11.749  15.804  -7.128
  663    HB2  LEU  89           HB2      LEU  89  10.636  15.877  -9.343
  664    HB3  LEU  89           HB3      LEU  89   9.102  15.426  -8.611
  665    HG   LEU  89           HG       LEU  89   9.050  17.606  -7.375
  666   HD11  LEU  89          HD11      LEU  89  10.544  19.421  -8.062
  667   HD12  LEU  89          HD12      LEU  89  11.489  18.116  -7.341
  668   HD13  LEU  89          HD13      LEU  89  11.449  18.325  -9.113
  669   HD21  LEU  89          HD21      LEU  89   8.507  18.972  -9.327
  670   HD22  LEU  89          HD22      LEU  89   9.351  17.824 -10.389
  671   HD23  LEU  89          HD23      LEU  89   7.887  17.326  -9.516
  672    H    ASN  90           H        ASN  90   8.554  14.238  -6.413
  673    HA   ASN  90           HA       ASN  90   7.874  16.031  -4.296
  674    HB2  ASN  90           HB2      ASN  90   6.998  13.225  -5.053
  675    HB3  ASN  90           HB3      ASN  90   6.522  13.906  -3.506
  676   HD21  ASN  90          HD21      ASN  90   6.213  14.378  -7.026
  677   HD22  ASN  90          HD22      ASN  90   4.825  15.460  -6.873
  678    H    ARG  91           H        ARG  91   9.625  12.836  -4.056
  679    HA   ARG  91           HA       ARG  91   9.939  13.142  -1.211
  680    HB2  ARG  91           HB2      ARG  91  10.048  10.965  -2.387
  681    HB3  ARG  91           HB3      ARG  91  11.549  11.442  -3.170
  682    HG2  ARG  91           HG2      ARG  91  11.839   9.911  -1.208
  683    HG3  ARG  91           HG3      ARG  91  12.764  11.394  -1.094
  684    HD2  ARG  91           HD2      ARG  91  11.640  10.573   1.058
  685    HD3  ARG  91           HD3      ARG  91  11.449  12.263   0.645
  686    HE   ARG  91           HE       ARG  91   9.164  11.996   0.516
  687   HH11  ARG  91          HH11      ARG  91  10.414   8.714   0.262
  688   HH12  ARG  91          HH12      ARG  91   8.808   8.086  -0.039
  689   HH21  ARG  91          HH21      ARG  91   7.327  11.202   0.316
  690   HH22  ARG  91          HH22      ARG  91   7.026   9.463   0.154
  691    H    LEU  92           H        LEU  92  12.020  14.246  -3.906
  692    HA   LEU  92           HA       LEU  92  14.170  15.123  -2.209
  693    HB2  LEU  92           HB2      LEU  92  14.334  14.897  -4.664
  694    HB3  LEU  92           HB3      LEU  92  13.143  16.172  -4.888
  695    HG   LEU  92           HG       LEU  92  14.692  17.836  -3.917
  696   HD11  LEU  92          HD11      LEU  92  16.669  15.515  -3.756
  697   HD12  LEU  92          HD12      LEU  92  17.080  17.235  -3.569
  698   HD13  LEU  92          HD13      LEU  92  16.032  16.451  -2.384
  699   HD21  LEU  92          HD21      LEU  92  15.873  16.110  -6.127
  700   HD22  LEU  92          HD22      LEU  92  14.687  17.427  -6.315
  701   HD23  LEU  92          HD23      LEU  92  16.335  17.781  -5.771
  702    H    ARG  93           H        ARG  93  11.152  16.783  -3.307
  703    HA   ARG  93           HA       ARG  93  11.840  19.275  -2.025
  704    HB2  ARG  93           HB2      ARG  93  10.221  18.781  -4.004
  705    HB3  ARG  93           HB3      ARG  93   9.014  18.405  -2.764
  706    HG2  ARG  93           HG2      ARG  93   9.361  20.726  -1.815
  707    HG3  ARG  93           HG3      ARG  93  10.579  21.014  -3.065
  708    HD2  ARG  93           HD2      ARG  93   8.646  20.408  -4.748
  709    HD3  ARG  93           HD3      ARG  93   7.586  20.688  -3.374
  710    HE   ARG  93           HE       ARG  93   8.199  22.990  -3.322
  711   HH11  ARG  93          HH11      ARG  93   9.749  21.405  -6.072
  712   HH12  ARG  93          HH12      ARG  93  10.135  22.945  -6.819
  713   HH21  ARG  93          HH21      ARG  93   8.842  24.891  -4.365
  714   HH22  ARG  93          HH22      ARG  93   9.775  24.775  -5.849
  715    H    GLU  94           H        GLU  94   9.827  16.505  -0.929
  716    HA   GLU  94           HA       GLU  94   9.089  17.606   1.616
  717    HB2  GLU  94           HB2      GLU  94   9.706  14.739   0.765
  718    HB3  GLU  94           HB3      GLU  94   9.043  15.185   2.342
  719    HG2  GLU  94           HG2      GLU  94   7.070  16.193   1.254
  720    HG3  GLU  94           HG3      GLU  94   7.683  15.728  -0.327
  721    H    ARG  95           H        ARG  95  11.936  15.578   0.728
  722    HA   ARG  95           HA       ARG  95  13.162  15.485   3.258
  723    HB2  ARG  95           HB2      ARG  95  13.616  14.119   1.181
  724    HB3  ARG  95           HB3      ARG  95  14.540  15.481   0.533
  725    HG2  ARG  95           HG2      ARG  95  16.083  15.249   2.554
  726    HG3  ARG  95           HG3      ARG  95  15.125  13.830   3.024
  727    HD2  ARG  95           HD2      ARG  95  15.611  13.168   0.436
  728    HD3  ARG  95           HD3      ARG  95  17.026  14.184   0.704
  729    HE   ARG  95           HE       ARG  95  16.347  11.558   1.931
  730   HH11  ARG  95          HH11      ARG  95  18.696  14.217   2.147
  731   HH12  ARG  95          HH12      ARG  95  19.829  13.164   2.959
  732   HH21  ARG  95          HH21      ARG  95  17.706  10.409   2.858
  733   HH22  ARG  95          HH22      ARG  95  19.285  10.996   3.390
  734    H    VAL  96           H        VAL  96  13.692  17.886   0.655
  735    HA   VAL  96           HA       VAL  96  15.696  19.275   2.298
  736    HB   VAL  96           HB       VAL  96  15.936  18.645  -0.144
  737   HG11  VAL  96          HG11      VAL  96  14.973  19.865  -1.843
  738   HG12  VAL  96          HG12      VAL  96  13.617  19.702  -0.734
  739   HG13  VAL  96          HG13      VAL  96  14.505  21.220  -0.787
  740   HG21  VAL  96          HG21      VAL  96  16.435  21.573   0.539
  741   HG22  VAL  96          HG22      VAL  96  17.476  20.222   1.007
  742   HG23  VAL  96          HG23      VAL  96  17.250  20.605  -0.711
  743    H    SER  97           H        SER  97  12.383  19.939   1.196
  744    HA   SER  97           HA       SER  97  12.539  22.679   2.372
  745    HB2  SER  97           HB2      SER  97  10.856  21.678   0.064
  746    HB3  SER  97           HB3      SER  97  10.815  23.308   0.744
  747    HG   SER  97           HG       SER  97  12.899  23.672   0.059
  748    H    GLY  98           H        GLY  98  10.957  19.627   2.919
  749    HA2  GLY  98           HA2      GLY  98   8.371  20.582   3.732
  750    HA3  GLY  98           HA3      GLY  98   9.106  19.043   4.155
  751    H    SER  99           H        SER  99   7.485  20.723   5.860
  752    HA   SER  99           HA       SER  99   9.351  21.667   7.960
  753    HB2  SER  99           HB2      SER  99   7.318  22.538   9.055
  754    HB3  SER  99           HB3      SER  99   7.614  23.209   7.445
  755    HG   SER  99           HG       SER  99   5.405  22.626   7.737
  756    H    THR 100           H        THR 100   9.484  20.826   9.980
  757    HA   THR 100           HA       THR 100   7.888  18.468  10.795
  758    HB   THR 100           HB       THR 100  10.934  18.418  10.675
  759    HG1  THR 100           HG1      THR 100   8.957  16.970   9.229
  760   HG21  THR 100          HG21      THR 100   8.956  16.277  11.572
  761   HG22  THR 100          HG22      THR 100  10.694  16.033  11.314
  762   HG23  THR 100          HG23      THR 100  10.145  17.112  12.602
  763    H    ALA 101           H        ALA 101   7.498  18.473  12.966
  764    HA   ALA 101           HA       ALA 101   9.132  20.092  14.823
  765    HB1  ALA 101           HB1      ALA 101   6.156  20.578  14.326
  766    HB2  ALA 101           HB2      ALA 101   7.145  21.364  15.576
  767    HB3  ALA 101           HB3      ALA 101   7.479  21.671  13.864
  768    H    GLN 102           H        GLN 102   8.485  19.812  17.074
  769    HA   GLN 102           HA       GLN 102   6.868  17.429  17.757
  770    HB2  GLN 102           HB2      GLN 102   9.092  16.516  17.503
  771    HB3  GLN 102           HB3      GLN 102   9.803  17.834  18.431
  772    HG2  GLN 102           HG2      GLN 102   9.747  15.780  19.736
  773    HG3  GLN 102           HG3      GLN 102   8.777  17.032  20.486
  774   HE21  GLN 102          HE22      GLN 102   7.845  15.184  21.701
  775   HE22  GLN 102          HE21      GLN 102   6.550  14.249  20.934
  776    H    SER 103           H        SER 103   5.642  17.750  19.523
  777    HA   SER 103           HA       SER 103   5.552  20.384  20.674
  778    HB2  SER 103           HB2      SER 103   3.953  17.913  21.412
  779    HB3  SER 103           HB3      SER 103   3.542  19.593  21.788
  780    HG   SER 103           HG       SER 103   2.436  18.841  19.905
  781    H    ALA 104           H        ALA 104   6.879  17.369  21.890
  782    HA   ALA 104           HA       ALA 104   7.784  18.690  24.377
  783    HB1  ALA 104           HB1      ALA 104   6.984  16.795  25.747
  784    HB2  ALA 104           HB2      ALA 104   5.633  17.655  24.984
  785    HB3  ALA 104           HB3      ALA 104   6.182  16.094  24.329
  Start of MODEL    6
    1    H1   SER   1           H1       SER   1   5.586  -8.802 -19.407
    2    H2   SER   1           H2       SER   1   5.915  -8.274 -17.889
    3    H3   SER   1           H3       SER   1   7.136  -8.537 -18.947
    4    HA   SER   1           HA       SER   1   6.670 -10.891 -19.025
    5    HB2  SER   1           HB2      SER   1   7.157  -9.877 -16.190
    6    HB3  SER   1           HB3      SER   1   7.568 -11.481 -16.832
    7    HG   SER   1           HG       SER   1   9.363 -10.042 -16.907
    8    H    VAL   2           H        VAL   2   5.476 -12.705 -18.342
    9    HA   VAL   2           HA       VAL   2   2.686 -12.097 -17.675
   10    HB   VAL   2           HB       VAL   2   2.242 -14.447 -18.153
   11   HG11  VAL   2          HG11      VAL   2   2.761 -14.408 -20.523
   12   HG12  VAL   2          HG12      VAL   2   2.299 -12.787 -19.984
   13   HG13  VAL   2          HG13      VAL   2   4.010 -13.172 -20.282
   14   HG21  VAL   2          HG21      VAL   2   5.229 -14.754 -18.704
   15   HG22  VAL   2          HG22      VAL   2   4.352 -15.477 -17.337
   16   HG23  VAL   2          HG23      VAL   2   3.962 -15.956 -18.992
   17    H    SER   3           H        SER   3   5.351 -12.933 -15.723
   18    HA   SER   3           HA       SER   3   3.973 -14.384 -13.634
   19    HB2  SER   3           HB2      SER   3   6.011 -13.845 -12.310
   20    HB3  SER   3           HB3      SER   3   6.364 -14.587 -13.880
   21    HG   SER   3           HG       SER   3   7.711 -12.754 -13.466
   22    H    ILE   4           H        ILE   4   3.503 -13.616 -11.506
   23    HA   ILE   4           HA       ILE   4   2.085 -11.059 -11.610
   24    HB   ILE   4           HB       ILE   4   0.876 -11.743  -9.725
   25   HG12  ILE   4          HG12      ILE   4   2.519 -12.705  -8.247
   26   HG13  ILE   4          HG13      ILE   4   1.142 -13.765  -8.458
   27   HG21  ILE   4          HG21      ILE   4   1.177 -14.137 -11.578
   28   HG22  ILE   4          HG22      ILE   4  -0.206 -13.752 -10.541
   29   HG23  ILE   4          HG23      ILE   4   0.219 -12.678 -11.881
   30   HD11  ILE   4          HD11      ILE   4   2.502 -15.221  -9.976
   31   HD12  ILE   4          HD12      ILE   4   3.909 -14.166  -9.672
   32   HD13  ILE   4          HD13      ILE   4   3.173 -15.070  -8.346
   33    H    LEU   5           H        LEU   5   5.164 -11.837 -10.442
   34    HA   LEU   5           HA       LEU   5   5.093 -10.164  -8.040
   35    HB2  LEU   5           HB2      LEU   5   7.443 -11.448  -9.482
   36    HB3  LEU   5           HB3      LEU   5   7.497 -10.687  -7.896
   37    HG   LEU   5           HG       LEU   5   5.950 -13.216  -8.620
   38   HD11  LEU   5          HD11      LEU   5   8.401 -13.494  -8.498
   39   HD12  LEU   5          HD12      LEU   5   8.401 -12.787  -6.867
   40   HD13  LEU   5          HD13      LEU   5   7.579 -14.334  -7.173
   41   HD21  LEU   5          HD21      LEU   5   4.734 -12.036  -6.841
   42   HD22  LEU   5          HD22      LEU   5   5.565 -13.440  -6.174
   43   HD23  LEU   5          HD23      LEU   5   6.247 -11.818  -5.926
   44    H    ARG   6           H        ARG   6   5.994  -8.183  -7.694
   45    HA   ARG   6           HA       ARG   6   7.226  -6.627  -9.910
   46    HB2  ARG   6           HB2      ARG   6   4.757  -5.742  -8.334
   47    HB3  ARG   6           HB3      ARG   6   5.686  -4.696  -9.396
   48    HG2  ARG   6           HG2      ARG   6   4.120  -7.150 -10.294
   49    HG3  ARG   6           HG3      ARG   6   3.585  -5.479 -10.413
   50    HD2  ARG   6           HD2      ARG   6   5.443  -4.936 -11.923
   51    HD3  ARG   6           HD3      ARG   6   6.054  -6.582 -11.834
   52    HE   ARG   6           HE       ARG   6   3.703  -5.611 -13.314
   53   HH11  ARG   6          HH11      ARG   6   5.335  -8.521 -12.188
   54   HH12  ARG   6          HH12      ARG   6   4.436  -9.539 -13.293
   55   HH21  ARG   6          HH21      ARG   6   2.665  -6.997 -14.742
   56   HH22  ARG   6          HH22      ARG   6   3.070  -8.690 -14.744
   57    H    SER   7           H        SER   7   8.277  -4.692  -9.211
   58    HA   SER   7           HA       SER   7   9.760  -4.955  -6.774
   59    HB2  SER   7           HB2      SER   7   9.466  -2.527  -8.582
   60    HB3  SER   7           HB3      SER   7  10.733  -2.793  -7.368
   61    HG   SER   7           HG       SER   7  11.427  -3.381  -9.492
   62    H    SER   8           H        SER   8   9.847  -3.590  -4.926
   63    HA   SER   8           HA       SER   8   7.282  -2.657  -3.922
   64    HB2  SER   8           HB2      SER   8   8.557  -2.134  -1.877
   65    HB3  SER   8           HB3      SER   8   8.785  -3.798  -2.438
   66    HG   SER   8           HG       SER   8  10.785  -2.855  -1.858
   67    H    VAL   9           H        VAL   9   6.856  -0.558  -3.061
   68    HA   VAL   9           HA       VAL   9   8.197   1.701  -4.500
   69    HB   VAL   9           HB       VAL   9   6.000   2.700  -4.934
   70   HG11  VAL   9          HG11      VAL   9   5.335   1.290  -6.768
   71   HG12  VAL   9          HG12      VAL   9   7.104   1.306  -6.649
   72   HG13  VAL   9          HG13      VAL   9   6.185  -0.107  -6.077
   73   HG21  VAL   9          HG21      VAL   9   4.670   1.599  -3.124
   74   HG22  VAL   9          HG22      VAL   9   3.936   1.430  -4.722
   75   HG23  VAL   9          HG23      VAL   9   4.792   0.057  -4.001
   76    H    ASN  10           H        ASN  10   8.342   0.734  -1.621
   77    HA   ASN  10           HA       ASN  10   7.043   2.779  -0.016
   78    HB2  ASN  10           HB2      ASN  10   7.582   0.475   0.801
   79    HB3  ASN  10           HB3      ASN  10   9.308   0.844   0.677
   80   HD21  ASN  10          HD22      ASN  10   6.276   1.804   2.359
   81   HD22  ASN  10          HD21      ASN  10   7.113   2.561   3.701
   82    H    HIS  11           H        HIS  11   8.116   4.450   1.260
   83    HA   HIS  11           HA       HIS  11   9.616   6.181  -0.363
   84    HB2  HIS  11           HB2      HIS  11   9.752   7.612   1.625
   85    HB3  HIS  11           HB3      HIS  11   8.144   6.952   1.385
   86    HD2  HIS  11           HD2      HIS  11  11.040   6.974   3.868
   87    HE1  HIS  11           HE1      HIS  11   7.969   4.617   5.655
   88    HE2  HIS  11           HE2      HIS  11  10.201   5.765   6.059
   89    H    ARG  12           H        ARG  12  10.949   3.735   1.844
   90    HA   ARG  12           HA       ARG  12  13.622   4.792   2.000
   91    HB2  ARG  12           HB2      ARG  12  12.399   2.047   2.315
   92    HB3  ARG  12           HB3      ARG  12  14.120   2.143   1.992
   93    HG2  ARG  12           HG2      ARG  12  13.846   2.056   4.362
   94    HG3  ARG  12           HG3      ARG  12  14.481   3.637   3.908
   95    HD2  ARG  12           HD2      ARG  12  12.829   3.961   5.632
   96    HD3  ARG  12           HD3      ARG  12  12.184   4.595   4.130
   97    HE   ARG  12           HE       ARG  12  10.595   2.840   4.034
   98   HH11  ARG  12          HH11      ARG  12  12.651   2.273   6.832
   99   HH12  ARG  12          HH12      ARG  12  11.605   1.015   7.432
  100   HH21  ARG  12          HH21      ARG  12   9.413   1.232   4.773
  101   HH22  ARG  12          HH22      ARG  12   9.774   0.446   6.297
  102    H    GLU  13           H        GLU  13  12.010   3.045  -0.657
  103    HA   GLU  13           HA       GLU  13  14.438   2.551  -2.162
  104    HB2  GLU  13           HB2      GLU  13  11.548   2.825  -3.060
  105    HB3  GLU  13           HB3      GLU  13  12.879   2.313  -4.091
  106    HG2  GLU  13           HG2      GLU  13  12.039   0.880  -1.540
  107    HG3  GLU  13           HG3      GLU  13  11.517   0.427  -3.160
  108    H    VAL  14           H        VAL  14  12.150   5.285  -1.967
  109    HA   VAL  14           HA       VAL  14  13.425   6.778  -4.129
  110    HB   VAL  14           HB       VAL  14  11.488   7.854  -2.051
  111   HG11  VAL  14          HG11      VAL  14  12.650   9.557  -3.455
  112   HG12  VAL  14          HG12      VAL  14  12.150   8.682  -4.914
  113   HG13  VAL  14          HG13      VAL  14  10.931   9.445  -3.873
  114   HG21  VAL  14          HG21      VAL  14  10.385   5.923  -3.108
  115   HG22  VAL  14          HG22      VAL  14   9.706   7.422  -3.742
  116   HG23  VAL  14          HG23      VAL  14  10.871   6.502  -4.717
  117    H    ASP  15           H        ASP  15  13.581   6.866  -0.530
  118    HA   ASP  15           HA       ASP  15  15.451   9.026  -0.314
  119    HB2  ASP  15           HB2      ASP  15  14.951   6.539   1.381
  120    HB3  ASP  15           HB3      ASP  15  16.125   7.775   1.818
  121    H    GLU  16           H        GLU  16  16.018   5.477  -0.765
  122    HA   GLU  16           HA       GLU  16  18.868   5.642  -0.884
  123    HB2  GLU  16           HB2      GLU  16  17.682   3.540  -0.529
  124    HB3  GLU  16           HB3      GLU  16  16.920   3.650  -2.122
  125    HG2  GLU  16           HG2      GLU  16  19.086   3.468  -3.239
  126    HG3  GLU  16           HG3      GLU  16  19.930   3.514  -1.686
  127    H    ALA  17           H        ALA  17  16.405   5.858  -3.545
  128    HA   ALA  17           HA       ALA  17  18.314   6.126  -5.620
  129    HB1  ALA  17           HB1      ALA  17  16.430   7.041  -6.927
  130    HB2  ALA  17           HB2      ALA  17  15.924   5.621  -5.994
  131    HB3  ALA  17           HB3      ALA  17  15.479   7.253  -5.439
  132    H    ILE  18           H        ILE  18  16.722   8.662  -3.598
  133    HA   ILE  18           HA       ILE  18  17.990  10.911  -4.821
  134    HB   ILE  18           HB       ILE  18  16.789  10.414  -2.076
  135   HG12  ILE  18          HG12      ILE  18  15.955  12.303  -4.324
  136   HG13  ILE  18          HG13      ILE  18  15.403  10.631  -4.233
  137   HG21  ILE  18          HG21      ILE  18  18.532  12.078  -1.643
  138   HG22  ILE  18          HG22      ILE  18  18.025  13.037  -3.052
  139   HG23  ILE  18          HG23      ILE  18  16.978  12.876  -1.627
  140   HD11  ILE  18          HD11      ILE  18  14.820  12.809  -2.197
  141   HD12  ILE  18          HD12      ILE  18  13.702  12.032  -3.322
  142   HD13  ILE  18          HD13      ILE  18  14.407  11.088  -1.993
  143    H    ASP  19           H        ASP  19  19.060   8.961  -1.949
  144    HA   ASP  19           HA       ASP  19  21.525  10.329  -1.565
  145    HB2  ASP  19           HB2      ASP  19  20.584   8.793   0.080
  146    HB3  ASP  19           HB3      ASP  19  20.710   7.440  -1.042
  147    H    ASN  20           H        ASN  20  20.783   7.553  -3.767
  148    HA   ASN  20           HA       ASN  20  23.460   7.141  -4.636
  149    HB2  ASN  20           HB2      ASN  20  21.604   5.537  -4.971
  150    HB3  ASN  20           HB3      ASN  20  20.823   6.654  -6.093
  151   HD21  ASN  20          HD22      ASN  20  23.693   4.564  -5.643
  152   HD22  ASN  20          HD21      ASN  20  24.071   4.502  -7.357
  153    H    ILE  21           H        ILE  21  20.904   9.299  -6.017
  154    HA   ILE  21           HA       ILE  21  22.632  10.366  -8.087
  155    HB   ILE  21           HB       ILE  21  19.970  11.188  -6.909
  156   HG12  ILE  21          HG12      ILE  21  19.410  11.225  -9.395
  157   HG13  ILE  21          HG13      ILE  21  21.018  10.598  -9.721
  158   HG21  ILE  21          HG21      ILE  21  21.774  12.971  -8.597
  159   HG22  ILE  21          HG22      ILE  21  20.024  13.182  -8.513
  160   HG23  ILE  21          HG23      ILE  21  20.980  13.358  -7.051
  161   HD11  ILE  21          HD11      ILE  21  19.333   8.839  -9.795
  162   HD12  ILE  21          HD12      ILE  21  20.428   8.529  -8.440
  163   HD13  ILE  21          HD13      ILE  21  18.806   9.219  -8.147
  164    H    LEU  22           H        LEU  22  21.910  11.399  -4.739
  165    HA   LEU  22           HA       LEU  22  23.294  13.822  -4.763
  166    HB2  LEU  22           HB2      LEU  22  21.667  12.819  -3.058
  167    HB3  LEU  22           HB3      LEU  22  23.017  11.865  -2.441
  168    HG   LEU  22           HG       LEU  22  24.190  14.037  -1.930
  169   HD11  LEU  22          HD11      LEU  22  22.949  15.563  -3.430
  170   HD12  LEU  22          HD12      LEU  22  21.419  15.157  -2.629
  171   HD13  LEU  22          HD13      LEU  22  22.692  16.035  -1.753
  172   HD21  LEU  22          HD21      LEU  22  22.999  12.738  -0.212
  173   HD22  LEU  22          HD22      LEU  22  22.811  14.472   0.078
  174   HD23  LEU  22          HD23      LEU  22  21.470  13.545  -0.633
  175    H    ARG  23           H        ARG  23  24.607  10.566  -3.845
  176    HA   ARG  23           HA       ARG  23  27.311  11.626  -3.606
  177    HB2  ARG  23           HB2      ARG  23  28.038   9.439  -3.127
  178    HB3  ARG  23           HB3      ARG  23  26.535   9.755  -2.268
  179    HG2  ARG  23           HG2      ARG  23  25.324   8.398  -4.035
  180    HG3  ARG  23           HG3      ARG  23  26.877   8.044  -4.781
  181    HD2  ARG  23           HD2      ARG  23  26.110   6.193  -3.363
  182    HD3  ARG  23           HD3      ARG  23  27.628   6.858  -2.783
  183    HE   ARG  23           HE       ARG  23  24.910   7.274  -1.540
  184   HH11  ARG  23          HH11      ARG  23  28.395   7.207  -0.998
  185   HH12  ARG  23          HH12      ARG  23  28.198   7.589   0.687
  186   HH21  ARG  23          HH21      ARG  23  24.750   7.867   0.463
  187   HH22  ARG  23          HH22      ARG  23  26.145   7.909   1.532
  188    H    TYR  24           H        TYR  24  25.577  10.069  -6.331
  189    HA   TYR  24           HA       TYR  24  27.863   9.787  -8.029
  190    HB2  TYR  24           HB2      TYR  24  25.732   8.722  -8.495
  191    HB3  TYR  24           HB3      TYR  24  24.921  10.276  -8.621
  192    HD1  TYR  24           HD2      TYR  24  27.713   8.286 -10.179
  193    HD2  TYR  24           HD1      TYR  24  24.646  11.272 -10.739
  194    HE1  TYR  24           HE2      TYR  24  28.188   8.317 -12.625
  195    HE2  TYR  24           HE1      TYR  24  25.124  11.295 -13.189
  196    HH   TYR  24           HH       TYR  24  27.630   9.213 -14.676
  197    H    THR  25           H        THR  25  25.676  12.603  -7.536
  198    HA   THR  25           HA       THR  25  27.242  14.280  -9.404
  199    HB   THR  25           HB       THR  25  25.646  16.048  -8.802
  200    HG1  THR  25           HG1      THR  25  24.243  14.130  -7.270
  201   HG21  THR  25          HG21      THR  25  25.003  14.517 -10.618
  202   HG22  THR  25          HG22      THR  25  24.241  13.422  -9.439
  203   HG23  THR  25          HG23      THR  25  23.598  15.058  -9.677
  204    H    ASN  26           H        ASN  26  27.566  13.491  -6.102
  205    HA   ASN  26           HA       ASN  26  28.491  14.399  -4.284
  206    HB2  ASN  26           HB2      ASN  26  30.484  14.289  -5.758
  207    HB3  ASN  26           HB3      ASN  26  30.197  15.946  -6.276
  208   HD21  ASN  26          HD22      ASN  26  31.255  17.514  -5.155
  209   HD22  ASN  26          HD21      ASN  26  32.006  17.267  -3.578
  210    H    SER  27           H        SER  27  26.091  15.812  -5.511
  211    HA   SER  27           HA       SER  27  26.464  18.638  -4.804
  212    HB2  SER  27           HB2      SER  27  24.231  18.946  -5.648
  213    HB3  SER  27           HB3      SER  27  25.183  17.987  -6.792
  214    HG   SER  27           HG       SER  27  24.014  16.216  -6.314
  215    H    THR  28           H        THR  28  24.697  19.751  -3.517
  216    HA   THR  28           HA       THR  28  24.072  18.287  -0.991
  217    HB   THR  28           HB       THR  28  23.354  20.380  -0.081
  218    HG1  THR  28           HG1      THR  28  23.448  22.278  -1.391
  219   HG21  THR  28          HG21      THR  28  25.857  21.036  -1.680
  220   HG22  THR  28          HG22      THR  28  25.348  21.726  -0.130
  221   HG23  THR  28          HG23      THR  28  25.855  20.029  -0.204
  222    H    GLU  29           H        GLU  29  21.752  18.260  -0.216
  223    HA   GLU  29           HA       GLU  29  19.957  17.587  -2.384
  224    HB2  GLU  29           HB2      GLU  29  19.425  18.052   0.572
  225    HB3  GLU  29           HB3      GLU  29  18.206  17.535  -0.609
  226    HG2  GLU  29           HG2      GLU  29  19.629  15.587  -1.222
  227    HG3  GLU  29           HG3      GLU  29  20.753  16.031   0.073
  228    H    GLN  30           H        GLN  30  20.586  20.665  -0.749
  229    HA   GLN  30           HA       GLN  30  18.327  22.081  -1.888
  230    HB2  GLN  30           HB2      GLN  30  21.066  23.016  -0.936
  231    HB3  GLN  30           HB3      GLN  30  19.778  24.099  -1.483
  232    HG2  GLN  30           HG2      GLN  30  18.277  23.256   0.294
  233    HG3  GLN  30           HG3      GLN  30  19.552  22.178   0.874
  234   HE21  GLN  30          HE22      GLN  30  18.665  23.722   2.829
  235   HE22  GLN  30          HE21      GLN  30  19.725  25.095   3.104
  236    H    GLN  31           H        GLN  31  21.720  21.546  -3.054
  237    HA   GLN  31           HA       GLN  31  21.409  22.978  -5.534
  238    HB2  GLN  31           HB2      GLN  31  23.213  20.713  -4.627
  239    HB3  GLN  31           HB3      GLN  31  23.328  21.409  -6.244
  240    HG2  GLN  31           HG2      GLN  31  23.973  23.549  -5.423
  241    HG3  GLN  31           HG3      GLN  31  23.527  23.152  -3.768
  242   HE21  GLN  31          HE22      GLN  31  25.896  24.163  -3.770
  243   HE22  GLN  31          HE21      GLN  31  27.137  22.935  -3.608
  244    H    PHE  32           H        PHE  32  20.808  19.509  -4.699
  245    HA   PHE  32           HA       PHE  32  20.007  18.779  -7.347
  246    HB2  PHE  32           HB2      PHE  32  20.777  17.237  -5.582
  247    HB3  PHE  32           HB3      PHE  32  19.325  17.578  -4.650
  248    HD1  PHE  32           HD2      PHE  32  18.755  17.149  -8.287
  249    HD2  PHE  32           HD1      PHE  32  19.226  15.085  -4.522
  250    HE1  PHE  32           HE2      PHE  32  17.587  15.190  -9.217
  251    HE2  PHE  32           HE1      PHE  32  18.068  13.116  -5.479
  252    HZ   PHE  32           HZ       PHE  32  17.232  13.164  -7.814
  253    H    LEU  33           H        LEU  33  18.001  19.898  -4.545
  254    HA   LEU  33           HA       LEU  33  15.510  19.725  -5.905
  255    HB2  LEU  33           HB2      LEU  33  15.855  19.921  -3.480
  256    HB3  LEU  33           HB3      LEU  33  16.431  21.563  -3.653
  257    HG   LEU  33           HG       LEU  33  14.128  21.311  -2.721
  258   HD11  LEU  33          HD11      LEU  33  13.085  23.104  -3.893
  259   HD12  LEU  33          HD12      LEU  33  14.829  23.418  -3.861
  260   HD13  LEU  33          HD13      LEU  33  14.051  22.826  -5.345
  261   HD21  LEU  33          HD21      LEU  33  13.311  20.468  -5.537
  262   HD22  LEU  33          HD22      LEU  33  13.374  19.392  -4.118
  263   HD23  LEU  33          HD23      LEU  33  12.243  20.754  -4.155
  264    H    GLU  34           H        GLU  34  17.814  22.451  -5.685
  265    HA   GLU  34           HA       GLU  34  16.345  24.243  -7.356
  266    HB2  GLU  34           HB2      GLU  34  18.181  24.893  -5.829
  267    HB3  GLU  34           HB3      GLU  34  19.349  24.060  -6.865
  268    HG2  GLU  34           HG2      GLU  34  18.849  25.604  -8.709
  269    HG3  GLU  34           HG3      GLU  34  17.579  26.374  -7.754
  270    H    ALA  35           H        ALA  35  18.809  21.785  -8.246
  271    HA   ALA  35           HA       ALA  35  18.826  22.423 -11.041
  272    HB1  ALA  35           HB1      ALA  35  19.459  19.806  -9.601
  273    HB2  ALA  35           HB2      ALA  35  19.904  20.214 -11.271
  274    HB3  ALA  35           HB3      ALA  35  20.599  21.136  -9.926
  275    H    MET  36           H        MET  36  16.757  20.153  -9.147
  276    HA   MET  36           HA       MET  36  15.299  19.175 -11.448
  277    HB2  MET  36           HB2      MET  36  14.656  19.299  -8.469
  278    HB3  MET  36           HB3      MET  36  13.583  18.568  -9.668
  279    HG2  MET  36           HG2      MET  36  16.478  17.725  -9.306
  280    HG3  MET  36           HG3      MET  36  15.143  16.977  -8.433
  281    HE1  MET  36           HE1      MET  36  13.233  14.912 -11.031
  282    HE2  MET  36           HE2      MET  36  13.621  15.140  -9.314
  283    HE3  MET  36           HE3      MET  36  12.797  16.428 -10.224
  284    H    GLU  37           H        GLU  37  14.597  21.942  -9.190
  285    HA   GLU  37           HA       GLU  37  12.220  22.765 -10.585
  286    HB2  GLU  37           HB2      GLU  37  14.244  24.321  -8.929
  287    HB3  GLU  37           HB3      GLU  37  12.756  25.021  -9.583
  288    HG2  GLU  37           HG2      GLU  37  11.438  23.251  -8.401
  289    HG3  GLU  37           HG3      GLU  37  12.910  22.741  -7.582
  290    H    SER  38           H        SER  38  15.673  23.551 -11.168
  291    HA   SER  38           HA       SER  38  15.195  25.469 -13.253
  292    HB2  SER  38           HB2      SER  38  17.642  23.737 -12.744
  293    HB3  SER  38           HB3      SER  38  17.575  25.167 -13.786
  294    HG   SER  38           HG       SER  38  17.214  25.038 -10.970
  295    H    THR  39           H        THR  39  15.207  21.955 -13.323
  296    HA   THR  39           HA       THR  39  15.267  21.954 -16.314
  297    HB   THR  39           HB       THR  39  15.788  19.542 -16.105
  298    HG1  THR  39           HG1      THR  39  16.310  20.089 -13.389
  299   HG21  THR  39          HG21      THR  39  18.100  19.833 -15.312
  300   HG22  THR  39          HG22      THR  39  17.604  21.185 -16.353
  301   HG23  THR  39          HG23      THR  39  17.690  21.401 -14.598
  302    H    GLY  40           H        GLY  40  12.897  22.049 -14.022
  303    HA2  GLY  40           HA2      GLY  40  10.618  21.812 -14.344
  304    HA3  GLY  40           HA3      GLY  40  10.900  21.097 -15.931
  305    H    GLY  41           H        GLY  41  12.442  19.747 -13.053
  306    HA2  GLY  41           HA2      GLY  41  12.038  17.874 -11.792
  307    HA3  GLY  41           HA3      GLY  41  10.385  17.812 -12.413
  308    H    ARG  42           H        ARG  42  13.708  17.374 -13.771
  309    HA   ARG  42           HA       ARG  42  12.970  14.612 -14.640
  310    HB2  ARG  42           HB2      ARG  42  13.250  16.931 -16.381
  311    HB3  ARG  42           HB3      ARG  42  14.541  15.818 -16.743
  312    HG2  ARG  42           HG2      ARG  42  11.630  14.955 -16.556
  313    HG3  ARG  42           HG3      ARG  42  12.369  15.549 -18.045
  314    HD2  ARG  42           HD2      ARG  42  13.922  13.738 -18.166
  315    HD3  ARG  42           HD3      ARG  42  13.535  13.160 -16.543
  316    HE   ARG  42           HE       ARG  42  11.893  12.870 -19.003
  317   HH11  ARG  42          HH22      ARG  42  12.030  12.124 -15.533
  318   HH12  ARG  42          HH21      ARG  42  10.572  11.171 -15.628
  319   HH21  ARG  42          HH12      ARG  42  10.032  11.632 -18.964
  320   HH22  ARG  42          HH11      ARG  42   9.457  11.007 -17.431
  321    H    VAL  43           H        VAL  43  14.321  13.351 -13.527
  322    HA   VAL  43           HA       VAL  43  16.613  14.329 -12.199
  323    HB   VAL  43           HB       VAL  43  15.843  11.451 -12.791
  324   HG11  VAL  43          HG11      VAL  43  17.236  10.887 -10.797
  325   HG12  VAL  43          HG12      VAL  43  18.220  11.454 -12.142
  326   HG13  VAL  43          HG13      VAL  43  17.863  12.551 -10.785
  327   HG21  VAL  43          HG21      VAL  43  14.959  11.498 -10.497
  328   HG22  VAL  43          HG22      VAL  43  15.496  13.187 -10.300
  329   HG23  VAL  43          HG23      VAL  43  14.201  12.783 -11.441
  330    H    ARG  44           H        ARG  44  16.632  12.506 -15.344
  331    HA   ARG  44           HA       ARG  44  19.497  12.325 -15.394
  332    HB2  ARG  44           HB2      ARG  44  19.299  11.615 -17.647
  333    HB3  ARG  44           HB3      ARG  44  18.029  10.879 -16.681
  334    HG2  ARG  44           HG2      ARG  44  16.409  12.605 -17.610
  335    HG3  ARG  44           HG3      ARG  44  17.726  13.191 -18.650
  336    HD2  ARG  44           HD2      ARG  44  17.945  10.901 -19.618
  337    HD3  ARG  44           HD3      ARG  44  16.566  10.376 -18.624
  338    HE   ARG  44           HE       ARG  44  15.854  12.679 -20.210
  339   HH11  ARG  44          HH22      ARG  44  16.407   9.241 -20.622
  340   HH12  ARG  44          HH21      ARG  44  15.405   9.157 -22.042
  341   HH21  ARG  44          HH11      ARG  44  14.563  12.492 -22.030
  342   HH22  ARG  44          HH12      ARG  44  14.380  10.944 -22.794
  343    H    ILE  45           H        ILE  45  17.335  14.889 -16.519
  344    HA   ILE  45           HA       ILE  45  19.454  16.449 -17.799
  345    HB   ILE  45           HB       ILE  45  16.776  17.497 -16.847
  346   HG12  ILE  45          HG12      ILE  45  16.218  15.512 -18.142
  347   HG13  ILE  45          HG13      ILE  45  15.772  16.974 -18.993
  348   HG21  ILE  45          HG21      ILE  45  17.059  19.062 -18.754
  349   HG22  ILE  45          HG22      ILE  45  18.422  19.178 -17.630
  350   HG23  ILE  45          HG23      ILE  45  18.615  18.308 -19.154
  351   HD11  ILE  45          HD11      ILE  45  17.622  16.695 -20.556
  352   HD12  ILE  45          HD12      ILE  45  18.262  15.324 -19.616
  353   HD13  ILE  45          HD13      ILE  45  16.693  15.188 -20.436
  354    H    ALA  46           H        ALA  46  17.870  16.388 -14.590
  355    HA   ALA  46           HA       ALA  46  19.167  18.711 -13.538
  356    HB1  ALA  46           HB1      ALA  46  17.127  17.678 -12.591
  357    HB2  ALA  46           HB2      ALA  46  18.076  16.271 -12.068
  358    HB3  ALA  46           HB3      ALA  46  18.401  17.875 -11.372
  359    H    ILE  47           H        ILE  47  20.124  15.209 -13.328
  360    HA   ILE  47           HA       ILE  47  22.580  15.867 -11.933
  361    HB   ILE  47           HB       ILE  47  23.285  13.625 -12.228
  362   HG12  ILE  47          HG12      ILE  47  20.990  13.297 -14.167
  363   HG13  ILE  47          HG13      ILE  47  22.709  13.119 -14.512
  364   HG21  ILE  47          HG21      ILE  47  20.295  13.591 -11.637
  365   HG22  ILE  47          HG22      ILE  47  21.562  12.573 -10.938
  366   HG23  ILE  47          HG23      ILE  47  21.500  14.295 -10.546
  367   HD11  ILE  47          HD11      ILE  47  21.759  10.922 -14.395
  368   HD12  ILE  47          HD12      ILE  47  22.738  11.137 -12.930
  369   HD13  ILE  47          HD13      ILE  47  20.965  11.264 -12.851
  370    H    ALA  48           H        ALA  48  21.833  15.469 -15.467
  371    HA   ALA  48           HA       ALA  48  24.462  15.860 -16.386
  372    HB1  ALA  48           HB1      ALA  48  22.576  15.215 -17.810
  373    HB2  ALA  48           HB2      ALA  48  21.777  16.774 -17.528
  374    HB3  ALA  48           HB3      ALA  48  23.305  16.708 -18.432
  375    H    LYS  49           H        LYS  49  22.016  18.409 -15.523
  376    HA   LYS  49           HA       LYS  49  23.802  20.611 -16.078
  377    HB2  LYS  49           HB2      LYS  49  21.247  20.362 -14.435
  378    HB3  LYS  49           HB3      LYS  49  22.081  21.897 -14.675
  379    HG2  LYS  49           HG2      LYS  49  21.083  20.170 -16.979
  380    HG3  LYS  49           HG3      LYS  49  20.154  21.472 -16.230
  381    HD2  LYS  49           HD2      LYS  49  21.886  23.115 -16.871
  382    HD3  LYS  49           HD3      LYS  49  22.852  21.824 -17.613
  383    HE2  LYS  49           HE2      LYS  49  21.010  21.297 -19.166
  384    HE3  LYS  49           HE3      LYS  49  20.000  22.547 -18.432
  385    HZ1  LYS  49           HZ1      LYS  49  21.082  23.366 -20.457
  386    HZ2  LYS  49           HZ2      LYS  49  21.641  24.218 -19.180
  387    HZ3  LYS  49           HZ3      LYS  49  22.572  23.054 -19.862
  388    H    LEU  50           H        LEU  50  23.232  18.774 -13.063
  389    HA   LEU  50           HA       LEU  50  24.922  20.429 -11.407
  390    HB2  LEU  50           HB2      LEU  50  24.094  17.503 -11.281
  391    HB3  LEU  50           HB3      LEU  50  25.123  18.236 -10.063
  392    HG   LEU  50           HG       LEU  50  22.361  19.332 -10.715
  393   HD11  LEU  50          HD11      LEU  50  21.629  18.156  -8.657
  394   HD12  LEU  50          HD12      LEU  50  22.122  17.025  -9.918
  395   HD13  LEU  50          HD13      LEU  50  23.206  17.356  -8.543
  396   HD21  LEU  50          HD21      LEU  50  22.557  20.341  -8.460
  397   HD22  LEU  50          HD22      LEU  50  24.209  19.717  -8.325
  398   HD23  LEU  50          HD23      LEU  50  23.810  20.944  -9.549
  399    H    LEU  51           H        LEU  51  25.691  17.657 -13.570
  400    HA   LEU  51           HA       LEU  51  28.505  17.690 -12.805
  401    HB2  LEU  51           HB2      LEU  51  26.939  16.279 -14.994
  402    HB3  LEU  51           HB3      LEU  51  28.666  16.053 -14.742
  403    HG   LEU  51           HG       LEU  51  26.572  15.469 -12.593
  404   HD11  LEU  51          HD11      LEU  51  27.991  13.582 -14.513
  405   HD12  LEU  51          HD12      LEU  51  26.944  13.103 -13.158
  406   HD13  LEU  51          HD13      LEU  51  26.260  13.988 -14.525
  407   HD21  LEU  51          HD21      LEU  51  28.411  14.127 -11.582
  408   HD22  LEU  51          HD22      LEU  51  29.520  14.747 -12.820
  409   HD23  LEU  51          HD23      LEU  51  28.798  15.850 -11.630
  410    H    SER  52           H        SER  52  26.726  18.988 -15.677
  411    HA   SER  52           HA       SER  52  29.081  19.533 -17.156
  412    HB2  SER  52           HB2      SER  52  27.670  20.814 -18.635
  413    HB3  SER  52           HB3      SER  52  26.823  19.342 -18.134
  414    HG   SER  52           HG       SER  52  25.537  21.319 -18.049
  415    H    LYS  53           H        LYS  53  27.501  21.517 -14.707
  416    HA   LYS  53           HA       LYS  53  29.102  23.906 -15.213
  417    HB2  LYS  53           HB2      LYS  53  27.392  23.035 -12.846
  418    HB3  LYS  53           HB3      LYS  53  28.207  24.599 -12.951
  419    HG2  LYS  53           HG2      LYS  53  27.006  25.105 -15.064
  420    HG3  LYS  53           HG3      LYS  53  26.107  23.584 -14.913
  421    HD2  LYS  53           HD2      LYS  53  25.152  24.332 -12.757
  422    HD3  LYS  53           HD3      LYS  53  26.099  25.837 -12.853
  423    HE2  LYS  53           HE2      LYS  53  24.948  26.397 -15.005
  424    HE3  LYS  53           HE3      LYS  53  23.949  24.945 -14.829
  425    HZ1  LYS  53           HZ1      LYS  53  23.997  27.234 -12.912
  426    HZ2  LYS  53           HZ2      LYS  53  22.805  26.933 -13.982
  427    HZ3  LYS  53           HZ3      LYS  53  23.062  25.901 -12.746
  428    H    GLN  54           H        GLN  54  29.993  20.942 -13.855
  429    HA   GLN  54           HA       GLN  54  31.728  20.201 -12.607
  430    HB2  GLN  54           HB2      GLN  54  33.071  22.498 -14.078
  431    HB3  GLN  54           HB3      GLN  54  33.954  21.233 -13.236
  432    HG2  GLN  54           HG2      GLN  54  32.000  20.624 -15.491
  433    HG3  GLN  54           HG3      GLN  54  33.706  20.960 -15.739
  434   HE21  GLN  54          HE22      GLN  54  31.416  18.520 -14.551
  435   HE22  GLN  54          HE21      GLN  54  32.651  17.279 -14.324
  436    H    THR  55           H        THR  55  30.073  21.592 -10.992
  437    HA   THR  55           HA       THR  55  31.885  22.194  -8.769
  438    HB   THR  55           HB       THR  55  31.642  24.410  -9.701
  439    HG1  THR  55           HG1      THR  55  30.876  25.389  -7.836
  440   HG21  THR  55          HG21      THR  55  29.525  25.584  -9.875
  441   HG22  THR  55          HG22      THR  55  29.450  24.123 -10.870
  442   HG23  THR  55          HG23      THR  55  28.626  24.165  -9.296
  443    H    SER  56           H        SER  56  31.030  21.594  -6.801
  444    HA   SER  56           HA       SER  56  28.209  20.914  -6.456
  445    HB2  SER  56           HB2      SER  56  28.591  18.509  -6.141
  446    HB3  SER  56           HB3      SER  56  28.948  18.993  -7.792
  447    HG   SER  56           HG       SER  56  31.149  18.886  -7.351
  448    H    GLY  57           H        GLY  57  27.637  20.350  -4.324
  449    HA2  GLY  57           HA2      GLY  57  27.899  19.901  -2.055
  450    HA3  GLY  57           HA3      GLY  57  29.637  19.765  -2.288
  451    H    GLY  58           H        GLY  58  29.631  20.865  -0.165
  452    HA2  GLY  58           HA2      GLY  58  30.433  23.573  -0.318
  453    HA3  GLY  58           HA3      GLY  58  28.776  23.549   0.292
  454    H    SER  59           H        SER  59  30.678  24.600   1.895
  455    HA   SER  59           HA       SER  59  31.972  22.759   3.680
  456    HB2  SER  59           HB2      SER  59  31.263  25.684   4.093
  457    HB3  SER  59           HB3      SER  59  32.394  24.738   5.076
  458    HG   SER  59           HG       SER  59  33.472  25.962   3.435
  459    H    GLY  60           H        GLY  60  31.418  21.945   5.660
  460    HA2  GLY  60           HA2      GLY  60  28.623  21.609   6.274
  461    HA3  GLY  60           HA3      GLY  60  30.001  20.983   7.176
  462    H    GLY  61           H        GLY  61  30.762  24.100   7.305
  463    HA2  GLY  61           HA2      GLY  61  30.140  24.408  10.026
  464    HA3  GLY  61           HA3      GLY  61  30.740  25.675   8.959
  465    H    SER  62           H        SER  62  27.982  25.108   7.403
  466    HA   SER  62           HA       SER  62  26.413  27.176   8.712
  467    HB2  SER  62           HB2      SER  62  24.799  26.713   6.914
  468    HB3  SER  62           HB3      SER  62  26.439  26.985   6.297
  469    HG   SER  62           HG       SER  62  25.429  25.143   5.320
  470    H    LYS  63           H        LYS  63  26.613  23.727   9.123
  471    HA   LYS  63           HA       LYS  63  23.886  23.439  10.214
  472    HB2  LYS  63           HB2      LYS  63  25.045  21.635   8.894
  473    HB3  LYS  63           HB3      LYS  63  26.202  21.472  10.220
  474    HG2  LYS  63           HG2      LYS  63  24.098  21.079  11.737
  475    HG3  LYS  63           HG3      LYS  63  23.217  20.860  10.223
  476    HD2  LYS  63           HD2      LYS  63  25.643  19.279  11.191
  477    HD3  LYS  63           HD3      LYS  63  23.962  18.738  11.264
  478    HE2  LYS  63           HE2      LYS  63  23.818  18.852   8.768
  479    HE3  LYS  63           HE3      LYS  63  25.515  19.343   8.698
  480    HZ1  LYS  63           HZ1      LYS  63  24.542  16.749   9.795
  481    HZ2  LYS  63           HZ2      LYS  63  25.269  16.943   8.346
  482    HZ3  LYS  63           HZ3      LYS  63  26.114  17.201   9.723
  483    H    LEU  64           H        LEU  64  23.336  23.764  12.229
  484    HA   LEU  64           HA       LEU  64  25.132  22.964  14.404
  485    HB2  LEU  64           HB2      LEU  64  24.758  25.017  15.728
  486    HB3  LEU  64           HB3      LEU  64  25.685  25.257  14.270
  487    HG   LEU  64           HG       LEU  64  23.660  26.231  13.144
  488   HD11  LEU  64          HD11      LEU  64  21.814  25.342  14.443
  489   HD12  LEU  64          HD12      LEU  64  22.479  26.022  15.948
  490   HD13  LEU  64          HD13      LEU  64  21.845  27.084  14.674
  491   HD21  LEU  64          HD21      LEU  64  25.406  27.631  14.200
  492   HD22  LEU  64          HD22      LEU  64  23.808  28.374  14.338
  493   HD23  LEU  64          HD23      LEU  64  24.531  27.560  15.745
  494    H    GLY  65           H        GLY  65  22.128  22.657  13.081
  495    HA2  GLY  65           HA2      GLY  65  20.482  21.177  13.829
  496    HA3  GLY  65           HA3      GLY  65  21.224  21.144  15.421
  497    H    GLY  66           H        GLY  66  19.242  21.361  16.505
  498    HA2  GLY  66           HA2      GLY  66  17.722  22.683  17.718
  499    HA3  GLY  66           HA3      GLY  66  18.152  24.081  16.742
  500    H    SER  67           H        SER  67  16.165  24.785  16.126
  501    HA   SER  67           HA       SER  67  13.853  23.342  15.845
  502    HB2  SER  67           HB2      SER  67  14.513  25.911  14.368
  503    HB3  SER  67           HB3      SER  67  12.892  25.318  14.781
  504    HG   SER  67           HG       SER  67  13.795  26.910  16.253
  505    H    GLY  68           H        GLY  68  12.738  22.268  14.368
  506    HA2  GLY  68           HA2      GLY  68  13.869  21.284  11.896
  507    HA3  GLY  68           HA3      GLY  68  12.260  20.988  12.537
  508    H    GLY  69           H        GLY  69  11.442  21.137  10.371
  509    HA2  GLY  69           HA2      GLY  69  11.597  23.479   8.722
  510    HA3  GLY  69           HA3      GLY  69  10.386  22.203   8.609
  511    H    SER  70           H        SER  70  10.165  25.182   8.394
  512    HA   SER  70           HA       SER  70   8.868  26.175  10.783
  513    HB2  SER  70           HB2      SER  70   8.519  28.203   9.409
  514    HB3  SER  70           HB3      SER  70  10.195  27.627   9.397
  515    HG   SER  70           HG       SER  70   9.465  28.157   7.275
  516    H    ARG  71           H        ARG  71   7.645  24.518   7.994
  517    HA   ARG  71           HA       ARG  71   4.818  24.948   8.873
  518    HB2  ARG  71           HB2      ARG  71   5.857  25.110   6.004
  519    HB3  ARG  71           HB3      ARG  71   4.152  25.073   6.464
  520    HG2  ARG  71           HG2      ARG  71   4.455  27.189   7.752
  521    HG3  ARG  71           HG3      ARG  71   6.139  27.265   7.198
  522    HD2  ARG  71           HD2      ARG  71   5.372  27.297   4.848
  523    HD3  ARG  71           HD3      ARG  71   3.693  27.259   5.373
  524    HE   ARG  71           HE       ARG  71   5.580  29.525   5.469
  525   HH11  ARG  71          HH11      ARG  71   2.446  28.431   6.615
  526   HH12  ARG  71          HH12      ARG  71   1.912  30.052   6.964
  527   HH21  ARG  71          HH21      ARG  71   4.830  31.556   5.942
  528   HH22  ARG  71          HH22      ARG  71   3.232  31.773   6.590
  529    H    LYS  72           H        LYS  72   3.344  23.340   8.266
  530    HA   LYS  72           HA       LYS  72   4.407  20.587   8.066
  531    HB2  LYS  72           HB2      LYS  72   1.568  21.674   8.321
  532    HB3  LYS  72           HB3      LYS  72   1.995  19.959   8.289
  533    HG2  LYS  72           HG2      LYS  72   3.402  20.261  10.317
  534    HG3  LYS  72           HG3      LYS  72   2.917  21.965  10.392
  535    HD2  LYS  72           HD2      LYS  72   0.541  21.291  10.625
  536    HD3  LYS  72           HD3      LYS  72   1.021  19.577  10.553
  537    HE2  LYS  72           HE2      LYS  72   2.430  19.896  12.583
  538    HE3  LYS  72           HE3      LYS  72   1.948  21.596  12.656
  539    HZ1  LYS  72           HZ1      LYS  72   0.082  19.288  12.916
  540    HZ2  LYS  72           HZ2      LYS  72   0.596  20.227  14.146
  541    HZ3  LYS  72           HZ3      LYS  72  -0.361  20.861  12.986
  542    H    ASP  73           H        ASP  73   3.419  19.054   6.543
  543    HA   ASP  73           HA       ASP  73   2.683  20.176   3.886
  544    HB2  ASP  73           HB2      ASP  73   5.159  19.800   3.973
  545    HB3  ASP  73           HB3      ASP  73   4.859  18.098   4.325
  546    H    LEU  74           H        LEU  74   1.455  18.801   2.555
  547    HA   LEU  74           HA       LEU  74   0.702  16.126   3.527
  548    HB2  LEU  74           HB2      LEU  74  -0.876  17.753   4.582
  549    HB3  LEU  74           HB3      LEU  74  -1.297  18.363   2.982
  550    HG   LEU  74           HG       LEU  74  -2.203  16.117   2.390
  551   HD11  LEU  74          HD11      LEU  74  -1.711  15.471   5.329
  552   HD12  LEU  74          HD12      LEU  74  -2.682  14.491   4.212
  553   HD13  LEU  74          HD13      LEU  74  -0.947  14.662   3.943
  554   HD21  LEU  74          HD21      LEU  74  -3.668  17.906   3.273
  555   HD22  LEU  74          HD22      LEU  74  -4.238  16.299   3.753
  556   HD23  LEU  74          HD23      LEU  74  -3.378  17.322   4.926
  557    H    SER  75           H        SER  75   0.288  14.710   1.909
  558    HA   SER  75           HA       SER  75   1.316  15.273  -0.632
  559    HB2  SER  75           HB2      SER  75  -0.300  12.839   0.188
  560    HB3  SER  75           HB3      SER  75   0.917  12.940  -1.101
  561    HG   SER  75           HG       SER  75   1.789  12.041   0.837
  562    H    VAL  76           H        VAL  76  -1.814  16.112   0.196
  563    HA   VAL  76           HA       VAL  76  -3.218  15.203  -2.179
  564    HB   VAL  76           HB       VAL  76  -5.085  16.555  -1.430
  565   HG11  VAL  76          HG11      VAL  76  -5.533  15.451   0.676
  566   HG12  VAL  76          HG12      VAL  76  -4.713  14.333  -0.425
  567   HG13  VAL  76          HG13      VAL  76  -3.815  15.083   0.913
  568   HG21  VAL  76          HG21      VAL  76  -3.227  17.640   0.737
  569   HG22  VAL  76          HG22      VAL  76  -4.004  18.561  -0.570
  570   HG23  VAL  76          HG23      VAL  76  -4.989  17.832   0.696
  571    H    LYS  77           H        LYS  77  -1.100  17.861  -1.706
  572    HA   LYS  77           HA       LYS  77  -2.196  19.384  -4.027
  573    HB2  LYS  77           HB2      LYS  77  -0.015  20.101  -2.025
  574    HB3  LYS  77           HB3      LYS  77  -0.539  21.110  -3.378
  575    HG2  LYS  77           HG2      LYS  77  -2.854  21.172  -2.408
  576    HG3  LYS  77           HG3      LYS  77  -2.287  20.208  -1.045
  577    HD2  LYS  77           HD2      LYS  77  -2.357  22.496  -0.330
  578    HD3  LYS  77           HD3      LYS  77  -0.684  21.970  -0.416
  579    HE2  LYS  77           HE2      LYS  77  -0.755  24.192  -1.263
  580    HE3  LYS  77           HE3      LYS  77  -0.454  23.137  -2.638
  581    HZ1  LYS  77           HZ1      LYS  77  -2.840  23.355  -3.225
  582    HZ2  LYS  77           HZ2      LYS  77  -3.108  24.301  -1.913
  583    HZ3  LYS  77           HZ3      LYS  77  -2.153  24.830  -3.122
  584    H    GLY  78           H        GLY  78  -1.151  19.626  -5.920
  585    HA2  GLY  78           HA2      GLY  78   1.441  19.471  -6.694
  586    HA3  GLY  78           HA3      GLY  78   1.019  17.761  -6.615
  587    H    MET  79           H        MET  79   1.860  18.765  -8.960
  588    HA   MET  79           HA       MET  79  -0.511  18.449 -10.717
  589    HB2  MET  79           HB2      MET  79   1.576  20.649 -11.049
  590    HB3  MET  79           HB3      MET  79   0.386  20.180 -12.269
  591    HG2  MET  79           HG2      MET  79  -1.443  20.748 -10.676
  592    HG3  MET  79           HG3      MET  79  -0.229  21.326  -9.526
  593    HE1  MET  79           HE1      MET  79  -1.490  23.645  -9.328
  594    HE2  MET  79           HE2      MET  79  -1.951  24.633 -10.730
  595    HE3  MET  79           HE3      MET  79  -2.716  23.051 -10.472
  596    H    LEU  80           H        LEU  80  -0.085  17.535 -12.709
  597    HA   LEU  80           HA       LEU  80   0.777  16.045 -14.151
  598    HB2  LEU  80           HB2      LEU  80   3.500  17.231 -13.538
  599    HB3  LEU  80           HB3      LEU  80   3.045  16.316 -14.967
  600    HG   LEU  80           HG       LEU  80   1.974  19.076 -14.232
  601   HD11  LEU  80          HD11      LEU  80   3.296  19.828 -16.153
  602   HD12  LEU  80          HD12      LEU  80   4.337  19.063 -14.943
  603   HD13  LEU  80          HD13      LEU  80   3.896  18.172 -16.416
  604   HD21  LEU  80          HD21      LEU  80   0.281  17.821 -15.516
  605   HD22  LEU  80          HD22      LEU  80   1.019  19.070 -16.519
  606   HD23  LEU  80          HD23      LEU  80   1.509  17.374 -16.724
  607    H    TYR  81           H        TYR  81   2.437  14.243 -14.547
  608    HA   TYR  81           HA       TYR  81   3.300  12.836 -12.110
  609    HB2  TYR  81           HB2      TYR  81   2.080  10.814 -12.614
  610    HB3  TYR  81           HB3      TYR  81   0.965  12.138 -12.369
  611    HD1  TYR  81           HD1      TYR  81  -0.359  13.060 -14.264
  612    HD2  TYR  81           HD2      TYR  81   2.318   9.713 -14.788
  613    HE1  TYR  81           HE1      TYR  81  -1.445  12.525 -16.445
  614    HE2  TYR  81           HE2      TYR  81   1.235   9.187 -16.961
  615    HH   TYR  81           HH       TYR  81  -0.393   9.769 -18.486
  616    H    ASP  82           H        ASP  82   4.665  11.015 -12.511
  617    HA   ASP  82           HA       ASP  82   5.624  10.372 -15.171
  618    HB2  ASP  82           HB2      ASP  82   6.933  12.461 -14.688
  619    HB3  ASP  82           HB3      ASP  82   7.530  11.717 -13.203
  620    H    SER  83           H        SER  83   7.114   8.525 -15.121
  621    HA   SER  83           HA       SER  83   6.388   6.562 -13.190
  622    HB2  SER  83           HB2      SER  83   7.156   6.242 -15.596
  623    HB3  SER  83           HB3      SER  83   8.814   6.474 -15.010
  624    HG   SER  83           HG       SER  83   8.182   4.239 -15.075
  625    H    ASP  84           H        ASP  84   9.202   8.770 -13.259
  626    HA   ASP  84           HA       ASP  84  10.038   7.716 -10.568
  627    HB2  ASP  84           HB2      ASP  84  11.821   8.133 -13.000
  628    HB3  ASP  84           HB3      ASP  84  12.422   7.950 -11.355
  629    H    SER  85           H        SER  85  10.558  10.440 -12.925
  630    HA   SER  85           HA       SER  85  12.154  11.904 -11.049
  631    HB2  SER  85           HB2      SER  85  10.655  12.812 -13.525
  632    HB3  SER  85           HB3      SER  85  11.747  13.843 -12.576
  633    HG   SER  85           HG       SER  85  12.712  11.319 -13.415
  634    H    GLN  86           H        GLN  86   8.620  12.016 -11.561
  635    HA   GLN  86           HA       GLN  86   8.283  14.321  -9.801
  636    HB2  GLN  86           HB2      GLN  86   6.343  12.277 -10.925
  637    HB3  GLN  86           HB3      GLN  86   5.837  13.572  -9.846
  638    HG2  GLN  86           HG2      GLN  86   7.260  14.032 -12.507
  639    HG3  GLN  86           HG3      GLN  86   5.516  14.074 -12.284
  640   HE21  GLN  86          HE22      GLN  86   6.591  16.310 -13.381
  641   HE22  GLN  86          HE21      GLN  86   6.619  17.594 -12.187
  642    H    GLN  87           H        GLN  87   8.357  10.788  -9.242
  643    HA   GLN  87           HA       GLN  87   7.503  10.984  -6.468
  644    HB2  GLN  87           HB2      GLN  87   9.140   8.831  -7.878
  645    HB3  GLN  87           HB3      GLN  87   8.404   8.677  -6.293
  646    HG2  GLN  87           HG2      GLN  87   6.887   9.056  -8.920
  647    HG3  GLN  87           HG3      GLN  87   7.122   7.533  -8.076
  648   HE21  GLN  87          HE22      GLN  87   4.545   8.213  -8.659
  649   HE22  GLN  87          HE21      GLN  87   3.721   8.692  -7.184
  650    H    ILE  88           H        ILE  88  10.733  10.754  -8.043
  651    HA   ILE  88           HA       ILE  88  12.274  11.102  -5.640
  652    HB   ILE  88           HB       ILE  88  12.833  11.464  -8.601
  653   HG12  ILE  88          HG12      ILE  88  14.684   9.836  -8.002
  654   HG13  ILE  88          HG13      ILE  88  14.051   9.778  -6.363
  655   HG21  ILE  88          HG21      ILE  88  14.103  13.333  -7.671
  656   HG22  ILE  88          HG22      ILE  88  14.728  12.302  -6.363
  657   HG23  ILE  88          HG23      ILE  88  15.210  12.022  -8.044
  658   HD11  ILE  88          HD11      ILE  88  13.375   7.819  -7.652
  659   HD12  ILE  88          HD12      ILE  88  11.930   8.765  -7.277
  660   HD13  ILE  88          HD13      ILE  88  12.651   8.840  -8.904
  661    H    LEU  89           H        LEU  89  11.094  13.589  -7.988
  662    HA   LEU  89           HA       LEU  89  12.044  15.802  -6.521
  663    HB2  LEU  89           HB2      LEU  89  11.164  15.959  -8.812
  664    HB3  LEU  89           HB3      LEU  89   9.547  15.568  -8.256
  665    HG   LEU  89           HG       LEU  89   9.347  17.671  -7.062
  666   HD11  LEU  89          HD11      LEU  89  11.593  18.091  -6.229
  667   HD12  LEU  89          HD12      LEU  89  12.237  18.178  -7.880
  668   HD13  LEU  89          HD13      LEU  89  11.138  19.434  -7.270
  669   HD21  LEU  89          HD21      LEU  89   8.867  17.637  -9.492
  670   HD22  LEU  89          HD22      LEU  89   9.432  19.222  -8.941
  671   HD23  LEU  89          HD23      LEU  89  10.539  18.151  -9.819
  672    H    ASN  90           H        ASN  90   8.791  14.174  -6.131
  673    HA   ASN  90           HA       ASN  90   7.958  15.997  -4.129
  674    HB2  ASN  90           HB2      ASN  90   6.502  14.374  -5.402
  675    HB3  ASN  90           HB3      ASN  90   7.137  13.069  -4.393
  676   HD21  ASN  90          HD22      ASN  90   4.879  12.718  -3.702
  677   HD22  ASN  90          HD21      ASN  90   4.187  13.790  -2.499
  678    H    ARG  91           H        ARG  91   9.746  12.848  -3.709
  679    HA   ARG  91           HA       ARG  91   9.811  13.186  -0.825
  680    HB2  ARG  91           HB2      ARG  91   9.996  10.996  -1.972
  681    HB3  ARG  91           HB3      ARG  91  11.549  11.485  -2.649
  682    HG2  ARG  91           HG2      ARG  91  11.779   9.976  -0.695
  683    HG3  ARG  91           HG3      ARG  91  12.550  11.537  -0.402
  684    HD2  ARG  91           HD2      ARG  91  10.675  12.279   0.969
  685    HD3  ARG  91           HD3      ARG  91   9.757  10.804   0.566
  686    HE   ARG  91           HE       ARG  91  12.286  10.090   1.719
  687   HH11  ARG  91          HH11      ARG  91   9.312  11.657   2.815
  688   HH12  ARG  91          HH12      ARG  91   9.491  10.998   4.423
  689   HH21  ARG  91          HH21      ARG  91  12.327   9.150   3.628
  690   HH22  ARG  91          HH22      ARG  91  11.247   9.655   4.923
  691    H    LEU  92           H        LEU  92  12.060  14.215  -3.392
  692    HA   LEU  92           HA       LEU  92  14.089  15.227  -1.609
  693    HB2  LEU  92           HB2      LEU  92  14.361  14.719  -4.034
  694    HB3  LEU  92           HB3      LEU  92  13.257  16.039  -4.422
  695    HG   LEU  92           HG       LEU  92  14.903  17.666  -3.461
  696   HD11  LEU  92          HD11      LEU  92  16.722  15.223  -3.292
  697   HD12  LEU  92          HD12      LEU  92  17.228  16.918  -3.103
  698   HD13  LEU  92          HD13      LEU  92  16.147  16.187  -1.913
  699   HD21  LEU  92          HD21      LEU  92  14.834  17.191  -5.868
  700   HD22  LEU  92          HD22      LEU  92  16.513  17.397  -5.348
  701   HD23  LEU  92          HD23      LEU  92  15.887  15.773  -5.642
  702    H    ARG  93           H        ARG  93  11.079  16.648  -2.922
  703    HA   ARG  93           HA       ARG  93  11.445  19.316  -1.860
  704    HB2  ARG  93           HB2      ARG  93   9.906  18.712  -3.711
  705    HB3  ARG  93           HB3      ARG  93   8.960  17.724  -2.603
  706    HG2  ARG  93           HG2      ARG  93   8.557  19.937  -1.270
  707    HG3  ARG  93           HG3      ARG  93   9.204  20.744  -2.701
  708    HD2  ARG  93           HD2      ARG  93   6.791  20.683  -2.916
  709    HD3  ARG  93           HD3      ARG  93   7.461  19.559  -4.088
  710    HE   ARG  93           HE       ARG  93   6.514  17.747  -2.932
  711   HH11  ARG  93          HH21      ARG  93   6.039  20.600  -0.924
  712   HH12  ARG  93          HH22      ARG  93   5.064  19.688   0.216
  713   HH21  ARG  93          HH11      ARG  93   5.447  16.687  -1.345
  714   HH22  ARG  93          HH12      ARG  93   4.941  17.559   0.111
  715    H    GLU  94           H        GLU  94   9.787  16.381  -0.521
  716    HA   GLU  94           HA       GLU  94   9.039  17.524   1.984
  717    HB2  GLU  94           HB2      GLU  94   9.991  14.713   1.302
  718    HB3  GLU  94           HB3      GLU  94   9.302  15.168   2.854
  719    HG2  GLU  94           HG2      GLU  94   7.163  15.598   1.886
  720    HG3  GLU  94           HG3      GLU  94   7.808  15.522   0.245
  721    H    ARG  95           H        ARG  95  12.061  15.752   1.139
  722    HA   ARG  95           HA       ARG  95  13.325  16.009   3.678
  723    HB2  ARG  95           HB2      ARG  95  14.434  15.606   0.869
  724    HB3  ARG  95           HB3      ARG  95  15.423  15.490   2.328
  725    HG2  ARG  95           HG2      ARG  95  14.219  13.583   3.150
  726    HG3  ARG  95           HG3      ARG  95  12.928  13.780   1.970
  727    HD2  ARG  95           HD2      ARG  95  14.310  11.977   1.214
  728    HD3  ARG  95           HD3      ARG  95  14.550  13.332   0.124
  729    HE   ARG  95           HE       ARG  95  16.699  13.791   1.105
  730   HH11  ARG  95          HH21      ARG  95  15.439  10.661   2.166
  731   HH12  ARG  95          HH22      ARG  95  16.956  10.257   2.945
  732   HH21  ARG  95          HH11      ARG  95  18.526  13.214   2.058
  733   HH22  ARG  95          HH12      ARG  95  18.707  11.634   2.799
  734    H    VAL  96           H        VAL  96  13.572  18.165   0.825
  735    HA   VAL  96           HA       VAL  96  15.507  19.895   2.190
  736    HB   VAL  96           HB       VAL  96  14.109  20.144  -0.493
  737   HG11  VAL  96          HG11      VAL  96  14.680  22.409   0.225
  738   HG12  VAL  96          HG12      VAL  96  16.292  21.877   0.755
  739   HG13  VAL  96          HG13      VAL  96  15.868  21.885  -0.970
  740   HG21  VAL  96          HG21      VAL  96  15.791  18.298  -0.273
  741   HG22  VAL  96          HG22      VAL  96  16.349  19.578  -1.344
  742   HG23  VAL  96          HG23      VAL  96  16.983  19.477   0.311
  743    H    SER  97           H        SER  97  11.992  20.295   1.269
  744    HA   SER  97           HA       SER  97  11.977  22.943   2.352
  745    HB2  SER  97           HB2      SER  97   9.601  22.971   2.104
  746    HB3  SER  97           HB3      SER  97  10.333  22.218   0.683
  747    HG   SER  97           HG       SER  97   9.718  20.222   1.427
  748    H    GLY  98           H        GLY  98  11.328  19.759   3.819
  749    HA2  GLY  98           HA2      GLY  98  10.478  20.790   6.409
  750    HA3  GLY  98           HA3      GLY  98  10.851  19.124   5.970
  751    H    SER  99           H        SER  99  13.508  21.053   5.092
  752    HA   SER  99           HA       SER  99  15.202  19.931   7.128
  753    HB2  SER  99           HB2      SER  99  15.887  20.512   4.786
  754    HB3  SER  99           HB3      SER  99  15.856  22.227   5.256
  755    HG   SER  99           HG       SER  99  17.962  21.235   5.484
  756    H    THR 100           H        THR 100  16.715  21.278   8.485
  757    HA   THR 100           HA       THR 100  15.119  22.535  10.484
  758    HB   THR 100           HB       THR 100  17.364  23.046  11.565
  759    HG1  THR 100           HG1      THR 100  19.123  21.863  10.603
  760   HG21  THR 100          HG21      THR 100  16.785  20.170  10.723
  761   HG22  THR 100          HG22      THR 100  17.839  20.669  12.071
  762   HG23  THR 100          HG23      THR 100  16.114  21.019  12.137
  763    H    ALA 101           H        ALA 101  14.587  24.539  10.944
  764    HA   ALA 101           HA       ALA 101  15.464  26.815   9.330
  765    HB1  ALA 101           HB1      ALA 101  13.698  26.625  11.815
  766    HB2  ALA 101           HB2      ALA 101  13.888  28.048  10.767
  767    HB3  ALA 101           HB3      ALA 101  13.142  26.573  10.128
  768    H    GLN 102           H        GLN 102  16.470  25.342  12.339
  769    HA   GLN 102           HA       GLN 102  18.082  25.773  13.844
  770    HB2  GLN 102           HB2      GLN 102  19.470  27.331  11.650
  771    HB3  GLN 102           HB3      GLN 102  20.196  26.517  13.034
  772    HG2  GLN 102           HG2      GLN 102  19.256  24.327  12.082
  773    HG3  GLN 102           HG3      GLN 102  18.929  25.233  10.596
  774   HE21  GLN 102          HE22      GLN 102  20.985  26.579   9.796
  775   HE22  GLN 102          HE21      GLN 102  22.519  25.736   9.954
  776    H    SER 103           H        SER 103  15.908  27.852  13.789
  777    HA   SER 103           HA       SER 103  17.234  29.832  15.548
  778    HB2  SER 103           HB2      SER 103  17.236  30.731  13.190
  779    HB3  SER 103           HB3      SER 103  15.462  30.683  13.227
  780    HG   SER 103           HG       SER 103  16.343  32.750  13.844
  781    H    ALA 104           H        ALA 104  15.808  30.980  16.912
  782    HA   ALA 104           HA       ALA 104  12.997  30.119  17.166
  783    HB1  ALA 104           HB1      ALA 104  13.306  29.502  19.541
  784    HB2  ALA 104           HB2      ALA 104  14.236  28.432  18.473
  785    HB3  ALA 104           HB3      ALA 104  15.059  29.724  19.378
  Start of MODEL    7
    1    H1   SER   1           H1       SER   1  18.064 -12.973  15.978
    2    H2   SER   1           H2       SER   1  17.376 -12.065  17.160
    3    H3   SER   1           H3       SER   1  18.008 -13.533  17.518
    4    HA   SER   1           HA       SER   1  16.344 -14.653  16.199
    5    HB2  SER   1           HB2      SER   1  14.331 -14.085  17.586
    6    HB3  SER   1           HB3      SER   1  15.792 -14.388  18.532
    7    HG   SER   1           HG       SER   1  14.657 -12.500  19.230
    8    H    VAL   2           H        VAL   2  14.239 -14.505  15.090
    9    HA   VAL   2           HA       VAL   2  14.308 -12.459  13.031
   10    HB   VAL   2           HB       VAL   2  13.755 -14.822  12.611
   11   HG11  VAL   2          HG11      VAL   2  12.260 -15.281  14.555
   12   HG12  VAL   2          HG12      VAL   2  11.024 -14.232  13.828
   13   HG13  VAL   2          HG13      VAL   2  11.533 -15.716  13.004
   14   HG21  VAL   2          HG21      VAL   2  12.072 -14.441  10.938
   15   HG22  VAL   2          HG22      VAL   2  11.523 -12.955  11.727
   16   HG23  VAL   2          HG23      VAL   2  13.147 -13.038  10.999
   17    H    SER   3           H        SER   3  12.785 -10.873  12.518
   18    HA   SER   3           HA       SER   3  10.593 -10.253  14.395
   19    HB2  SER   3           HB2      SER   3  12.688  -9.082  15.212
   20    HB3  SER   3           HB3      SER   3  12.661  -8.140  13.706
   21    HG   SER   3           HG       SER   3  11.552  -7.111  15.486
   22    H    ILE   4           H        ILE   4   9.193  -8.542  13.581
   23    HA   ILE   4           HA       ILE   4   8.637  -9.009  10.737
   24    HB   ILE   4           HB       ILE   4   6.486  -8.116  11.098
   25   HG12  ILE   4          HG12      ILE   4   6.810  -6.205  12.509
   26   HG13  ILE   4          HG13      ILE   4   5.592  -7.268  13.177
   27   HG21  ILE   4          HG21      ILE   4   5.580  -9.687  12.710
   28   HG22  ILE   4          HG22      ILE   4   6.874 -10.436  11.763
   29   HG23  ILE   4          HG23      ILE   4   7.180  -9.936  13.435
   30   HD11  ILE   4          HD11      ILE   4   8.423  -6.870  14.222
   31   HD12  ILE   4          HD12      ILE   4   6.907  -6.373  14.976
   32   HD13  ILE   4          HD13      ILE   4   7.295  -8.097  14.855
   33    H    LEU   5           H        LEU   5   8.027  -7.363   9.236
   34    HA   LEU   5           HA       LEU   5   9.685  -4.980   9.227
   35    HB2  LEU   5           HB2      LEU   5   9.092  -6.160   7.161
   36    HB3  LEU   5           HB3      LEU   5   7.378  -5.910   7.480
   37    HG   LEU   5           HG       LEU   5   7.680  -3.452   7.209
   38   HD11  LEU   5          HD11      LEU   5   9.753  -2.591   6.163
   39   HD12  LEU   5          HD12      LEU   5  10.082  -3.216   7.780
   40   HD13  LEU   5          HD13      LEU   5  10.519  -4.185   6.353
   41   HD21  LEU   5          HD21      LEU   5   8.707  -5.105   4.867
   42   HD22  LEU   5          HD22      LEU   5   7.001  -4.887   5.316
   43   HD23  LEU   5          HD23      LEU   5   7.953  -3.496   4.784
   44    H    ARG   6           H        ARG   6   9.204  -2.976   9.939
   45    HA   ARG   6           HA       ARG   6   6.401  -2.242  10.698
   46    HB2  ARG   6           HB2      ARG   6   8.967  -1.597  12.217
   47    HB3  ARG   6           HB3      ARG   6   7.379  -0.904  12.561
   48    HG2  ARG   6           HG2      ARG   6   6.483  -3.194  13.034
   49    HG3  ARG   6           HG3      ARG   6   8.085  -3.872  12.716
   50    HD2  ARG   6           HD2      ARG   6   7.832  -3.700  15.083
   51    HD3  ARG   6           HD3      ARG   6   9.025  -2.499  14.562
   52    HE   ARG   6           HE       ARG   6   6.330  -1.401  14.704
   53   HH11  ARG   6          HH11      ARG   6   9.022  -2.221  16.794
   54   HH12  ARG   6          HH12      ARG   6   8.558  -1.057  18.004
   55   HH21  ARG   6          HH21      ARG   6   5.802   0.075  16.279
   56   HH22  ARG   6          HH22      ARG   6   6.768   0.197  17.719
   57    H    SER   7           H        SER   7   5.801  -0.142  10.424
   58    HA   SER   7           HA       SER   7   5.448   1.720   9.207
   59    HB2  SER   7           HB2      SER   7   8.456   2.098   9.322
   60    HB3  SER   7           HB3      SER   7   7.259   3.335   8.913
   61    HG   SER   7           HG       SER   7   7.859   3.426  11.133
   62    H    SER   8           H        SER   8   5.927   2.982   7.125
   63    HA   SER   8           HA       SER   8   5.598   1.340   4.865
   64    HB2  SER   8           HB2      SER   8   6.592   4.216   4.981
   65    HB3  SER   8           HB3      SER   8   5.909   3.400   3.557
   66    HG   SER   8           HG       SER   8   4.323   4.645   4.689
   67    H    VAL   9           H        VAL   9   6.925   0.846   3.061
   68    HA   VAL   9           HA       VAL   9   9.865   0.817   3.673
   69    HB   VAL   9           HB       VAL   9   8.697  -1.298   4.082
   70   HG11  VAL   9          HG11      VAL   9   7.067  -1.300   2.201
   71   HG12  VAL   9          HG12      VAL   9   8.414  -1.515   1.055
   72   HG13  VAL   9          HG13      VAL   9   8.054  -2.763   2.254
   73   HG21  VAL   9          HG21      VAL   9  10.390  -2.714   3.074
   74   HG22  VAL   9          HG22      VAL   9  10.814  -1.448   1.909
   75   HG23  VAL   9          HG23      VAL   9  11.117  -1.207   3.644
   76    H    ASN  10           H        ASN  10   7.576   1.123   0.909
   77    HA   ASN  10           HA       ASN  10   9.752   1.057  -0.982
   78    HB2  ASN  10           HB2      ASN  10   6.870   1.973  -1.316
   79    HB3  ASN  10           HB3      ASN  10   8.020   1.712  -2.631
   80   HD21  ASN  10          HD22      ASN  10   9.152  -0.576  -2.551
   81   HD22  ASN  10          HD21      ASN  10   8.011  -1.894  -2.253
   82    H    HIS  11           H        HIS  11   8.484   3.739   0.906
   83    HA   HIS  11           HA       HIS  11   9.560   5.821  -0.801
   84    HB2  HIS  11           HB2      HIS  11   9.079   7.303   0.957
   85    HB3  HIS  11           HB3      HIS  11   7.795   6.103   1.003
   86    HD2  HIS  11           HD2      HIS  11   9.977   7.941   3.251
   87    HE1  HIS  11           HE1      HIS  11   9.316   4.320   5.385
   88    HE2  HIS  11           HE2      HIS  11  10.178   6.703   5.566
   89    H    ARG  12           H        ARG  12  11.009   3.702   1.621
   90    HA   ARG  12           HA       ARG  12  13.474   5.116   2.035
   91    HB2  ARG  12           HB2      ARG  12  13.123   2.089   2.016
   92    HB3  ARG  12           HB3      ARG  12  14.354   3.026   2.858
   93    HG2  ARG  12           HG2      ARG  12  12.562   4.018   4.322
   94    HG3  ARG  12           HG3      ARG  12  11.368   3.018   3.482
   95    HD2  ARG  12           HD2      ARG  12  12.874   1.005   4.170
   96    HD3  ARG  12           HD3      ARG  12  13.601   2.137   5.323
   97    HE   ARG  12           HE       ARG  12  10.679   2.134   5.425
   98   HH11  ARG  12          HH11      ARG  12  13.420   0.378   6.751
   99   HH12  ARG  12          HH12      ARG  12  12.432  -0.351   7.991
  100   HH21  ARG  12          HH21      ARG  12   9.520   1.123   6.843
  101   HH22  ARG  12          HH22      ARG  12  10.201   0.107   8.088
  102    H    GLU  13           H        GLU  13  12.437   2.921  -0.559
  103    HA   GLU  13           HA       GLU  13  15.001   2.620  -1.829
  104    HB2  GLU  13           HB2      GLU  13  12.229   2.557  -3.089
  105    HB3  GLU  13           HB3      GLU  13  13.716   1.917  -3.785
  106    HG2  GLU  13           HG2      GLU  13  13.881   0.273  -1.930
  107    HG3  GLU  13           HG3      GLU  13  12.380   0.889  -1.242
  108    H    VAL  14           H        VAL  14  12.385   5.059  -2.232
  109    HA   VAL  14           HA       VAL  14  13.771   6.515  -4.338
  110    HB   VAL  14           HB       VAL  14  11.544   7.513  -2.520
  111   HG11  VAL  14          HG11      VAL  14  12.680   9.325  -3.779
  112   HG12  VAL  14          HG12      VAL  14  12.495   8.394  -5.279
  113   HG13  VAL  14          HG13      VAL  14  11.065   9.031  -4.439
  114   HG21  VAL  14          HG21      VAL  14  10.781   5.476  -3.687
  115   HG22  VAL  14          HG22      VAL  14  10.030   6.903  -4.404
  116   HG23  VAL  14          HG23      VAL  14  11.390   6.112  -5.229
  117    H    ASP  15           H        ASP  15  13.592   6.870  -0.764
  118    HA   ASP  15           HA       ASP  15  15.178   9.245  -0.580
  119    HB2  ASP  15           HB2      ASP  15  13.790   8.207   1.233
  120    HB3  ASP  15           HB3      ASP  15  14.992   6.922   1.381
  121    H    GLU  16           H        GLU  16  16.156   5.770  -0.527
  122    HA   GLU  16           HA       GLU  16  18.973   6.193  -0.416
  123    HB2  GLU  16           HB2      GLU  16  17.934   4.050   0.084
  124    HB3  GLU  16           HB3      GLU  16  17.301   3.920  -1.561
  125    HG2  GLU  16           HG2      GLU  16  19.555   3.759  -2.486
  126    HG3  GLU  16           HG3      GLU  16  20.268   4.058  -0.899
  127    H    ALA  17           H        ALA  17  16.779   5.951  -3.289
  128    HA   ALA  17           HA       ALA  17  18.882   6.100  -5.201
  129    HB1  ALA  17           HB1      ALA  17  17.078   6.688  -6.793
  130    HB2  ALA  17           HB2      ALA  17  16.600   5.339  -5.749
  131    HB3  ALA  17           HB3      ALA  17  15.961   6.971  -5.445
  132    H    ILE  18           H        ILE  18  16.936   8.682  -3.631
  133    HA   ILE  18           HA       ILE  18  18.176  10.926  -4.922
  134    HB   ILE  18           HB       ILE  18  16.671  10.492  -2.333
  135   HG12  ILE  18          HG12      ILE  18  16.058  12.247  -4.750
  136   HG13  ILE  18          HG13      ILE  18  15.581  10.559  -4.638
  137   HG21  ILE  18          HG21      ILE  18  16.691  13.000  -1.996
  138   HG22  ILE  18          HG22      ILE  18  18.219  12.201  -1.650
  139   HG23  ILE  18          HG23      ILE  18  18.017  13.096  -3.165
  140   HD11  ILE  18          HD11      ILE  18  14.631  12.777  -2.787
  141   HD12  ILE  18          HD12      ILE  18  13.699  11.937  -4.033
  142   HD13  ILE  18          HD13      ILE  18  14.249  11.050  -2.593
  143    H    ASP  19           H        ASP  19  19.086   9.214  -1.853
  144    HA   ASP  19           HA       ASP  19  21.367  10.867  -1.387
  145    HB2  ASP  19           HB2      ASP  19  20.038   9.016   0.071
  146    HB3  ASP  19           HB3      ASP  19  21.378   8.010  -0.455
  147    H    ASN  20           H        ASN  20  21.037   7.842  -3.276
  148    HA   ASN  20           HA       ASN  20  23.814   7.518  -3.878
  149    HB2  ASN  20           HB2      ASN  20  22.115   5.743  -4.142
  150    HB3  ASN  20           HB3      ASN  20  21.310   6.670  -5.410
  151   HD21  ASN  20          HD22      ASN  20  24.339   4.928  -4.597
  152   HD22  ASN  20          HD21      ASN  20  24.798   4.686  -6.272
  153    H    ILE  21           H        ILE  21  21.239   9.400  -5.577
  154    HA   ILE  21           HA       ILE  21  22.978  10.332  -7.700
  155    HB   ILE  21           HB       ILE  21  20.314  11.273  -6.586
  156   HG12  ILE  21          HG12      ILE  21  21.039  10.322  -9.389
  157   HG13  ILE  21          HG13      ILE  21  20.648   9.183  -8.099
  158   HG21  ILE  21          HG21      ILE  21  21.339  13.354  -7.266
  159   HG22  ILE  21          HG22      ILE  21  22.026  12.610  -8.728
  160   HG23  ILE  21          HG23      ILE  21  20.280  12.874  -8.579
  161   HD11  ILE  21          HD11      ILE  21  18.426  10.239  -7.797
  162   HD12  ILE  21          HD12      ILE  21  18.776  11.340  -9.147
  163   HD13  ILE  21          HD13      ILE  21  18.670   9.596  -9.434
  164    H    LEU  22           H        LEU  22  22.046  11.749  -4.541
  165    HA   LEU  22           HA       LEU  22  23.514  14.138  -4.672
  166    HB2  LEU  22           HB2      LEU  22  21.811  13.452  -2.982
  167    HB3  LEU  22           HB3      LEU  22  22.935  12.266  -2.338
  168    HG   LEU  22           HG       LEU  22  24.490  14.153  -1.714
  169   HD11  LEU  22          HD11      LEU  22  22.013  15.812  -2.410
  170   HD12  LEU  22          HD12      LEU  22  23.426  16.400  -1.509
  171   HD13  LEU  22          HD13      LEU  22  23.602  15.917  -3.197
  172   HD21  LEU  22          HD21      LEU  22  21.694  14.105  -0.509
  173   HD22  LEU  22          HD22      LEU  22  23.050  13.039  -0.083
  174   HD23  LEU  22          HD23      LEU  22  23.150  14.767   0.273
  175    H    ARG  23           H        ARG  23  24.633  10.906  -3.515
  176    HA   ARG  23           HA       ARG  23  27.357  11.717  -3.039
  177    HB2  ARG  23           HB2      ARG  23  26.201   9.783  -1.986
  178    HB3  ARG  23           HB3      ARG  23  26.196   8.937  -3.540
  179    HG2  ARG  23           HG2      ARG  23  28.673   8.918  -3.545
  180    HG3  ARG  23           HG3      ARG  23  28.697   9.873  -2.047
  181    HD2  ARG  23           HD2      ARG  23  27.537   8.045  -0.856
  182    HD3  ARG  23           HD3      ARG  23  27.497   7.086  -2.357
  183    HE   ARG  23           HE       ARG  23  30.197   7.811  -1.869
  184   HH11  ARG  23          HH21      ARG  23  27.810   5.743  -0.331
  185   HH12  ARG  23          HH22      ARG  23  29.028   4.695   0.346
  186   HH21  ARG  23          HH12      ARG  23  31.688   6.422  -0.983
  187   HH22  ARG  23          HH11      ARG  23  31.157   5.070  -0.026
  188    H    TYR  24           H        TYR  24  25.859  10.037  -5.862
  189    HA   TYR  24           HA       TYR  24  28.201   9.680  -7.398
  190    HB2  TYR  24           HB2      TYR  24  26.151   8.574  -7.970
  191    HB3  TYR  24           HB3      TYR  24  25.287  10.102  -8.109
  192    HD1  TYR  24           HD2      TYR  24  28.272   8.380  -9.657
  193    HD2  TYR  24           HD1      TYR  24  24.819  10.906 -10.232
  194    HE1  TYR  24           HE2      TYR  24  28.751   8.484 -12.098
  195    HE2  TYR  24           HE1      TYR  24  25.298  11.001 -12.678
  196    HH   TYR  24           HH       TYR  24  28.100   9.300 -14.142
  197    H    THR  25           H        THR  25  26.006  12.533  -7.285
  198    HA   THR  25           HA       THR  25  27.722  13.992  -9.184
  199    HB   THR  25           HB       THR  25  26.120  15.811  -8.993
  200    HG1  THR  25           HG1      THR  25  24.562  14.108  -7.343
  201   HG21  THR  25          HG21      THR  25  24.235  14.759 -10.048
  202   HG22  THR  25          HG22      THR  25  25.682  13.877 -10.568
  203   HG23  THR  25          HG23      THR  25  24.613  13.183  -9.335
  204    H    ASN  26           H        ASN  26  28.086  13.417  -5.940
  205    HA   ASN  26           HA       ASN  26  29.122  14.420  -4.210
  206    HB2  ASN  26           HB2      ASN  26  30.822  15.531  -6.477
  207    HB3  ASN  26           HB3      ASN  26  31.256  15.618  -4.779
  208   HD21  ASN  26          HD22      ASN  26  30.957  13.418  -7.529
  209   HD22  ASN  26          HD21      ASN  26  31.741  12.079  -6.713
  210    H    SER  27           H        SER  27  26.752  15.697  -4.908
  211    HA   SER  27           HA       SER  27  27.241  18.632  -4.830
  212    HB2  SER  27           HB2      SER  27  24.908  18.749  -5.623
  213    HB3  SER  27           HB3      SER  27  25.924  17.746  -6.676
  214    HG   SER  27           HG       SER  27  24.710  16.084  -6.222
  215    H    THR  28           H        THR  28  25.420  19.924  -3.760
  216    HA   THR  28           HA       THR  28  24.830  18.883  -1.028
  217    HB   THR  28           HB       THR  28  24.227  21.060  -0.372
  218    HG1  THR  28           HG1      THR  28  24.202  22.785  -1.907
  219   HG21  THR  28          HG21      THR  28  26.597  21.518  -2.224
  220   HG22  THR  28          HG22      THR  28  26.193  22.395  -0.737
  221   HG23  THR  28          HG23      THR  28  26.707  20.701  -0.645
  222    H    GLU  29           H        GLU  29  22.646  18.883  -0.213
  223    HA   GLU  29           HA       GLU  29  20.699  17.920  -2.088
  224    HB2  GLU  29           HB2      GLU  29  20.478  18.894   0.792
  225    HB3  GLU  29           HB3      GLU  29  19.134  18.219  -0.128
  226    HG2  GLU  29           HG2      GLU  29  20.530  16.181  -0.584
  227    HG3  GLU  29           HG3      GLU  29  21.713  16.791   0.576
  228    H    GLN  30           H        GLN  30  21.289  21.211  -0.863
  229    HA   GLN  30           HA       GLN  30  18.873  22.347  -1.990
  230    HB2  GLN  30           HB2      GLN  30  21.543  23.612  -1.231
  231    HB3  GLN  30           HB3      GLN  30  20.111  24.507  -1.748
  232    HG2  GLN  30           HG2      GLN  30  18.817  23.534   0.149
  233    HG3  GLN  30           HG3      GLN  30  20.281  22.730   0.726
  234   HE21  GLN  30          HE22      GLN  30  22.138  24.183   1.410
  235   HE22  GLN  30          HE21      GLN  30  21.731  25.793   1.986
  236    H    GLN  31           H        GLN  31  22.211  21.884  -3.313
  237    HA   GLN  31           HA       GLN  31  21.612  23.192  -5.828
  238    HB2  GLN  31           HB2      GLN  31  23.743  21.207  -4.961
  239    HB3  GLN  31           HB3      GLN  31  23.656  21.840  -6.598
  240    HG2  GLN  31           HG2      GLN  31  23.867  23.643  -4.149
  241    HG3  GLN  31           HG3      GLN  31  25.260  23.045  -5.044
  242   HE21  GLN  31          HE22      GLN  31  25.091  25.744  -4.850
  243   HE22  GLN  31          HE21      GLN  31  24.561  26.421  -6.384
  244    H    PHE  32           H        PHE  32  21.371  19.729  -4.793
  245    HA   PHE  32           HA       PHE  32  20.492  18.838  -7.375
  246    HB2  PHE  32           HB2      PHE  32  21.383  17.332  -5.632
  247    HB3  PHE  32           HB3      PHE  32  19.986  17.670  -4.621
  248    HD1  PHE  32           HD1      PHE  32  19.457  17.140  -8.296
  249    HD2  PHE  32           HD2      PHE  32  19.623  15.255  -4.416
  250    HE1  PHE  32           HE1      PHE  32  18.228  15.197  -9.189
  251    HE2  PHE  32           HE2      PHE  32  18.421  13.288  -5.347
  252    HZ   PHE  32           HZ       PHE  32  17.672  13.279  -7.707
  253    H    LEU  33           H        LEU  33  18.585  19.925  -4.504
  254    HA   LEU  33           HA       LEU  33  16.029  19.621  -5.702
  255    HB2  LEU  33           HB2      LEU  33  16.451  19.941  -3.324
  256    HB3  LEU  33           HB3      LEU  33  17.022  21.575  -3.593
  257    HG   LEU  33           HG       LEU  33  14.776  21.357  -2.575
  258   HD11  LEU  33          HD11      LEU  33  14.525  22.802  -5.233
  259   HD12  LEU  33          HD12      LEU  33  13.703  23.133  -3.706
  260   HD13  LEU  33          HD13      LEU  33  15.443  23.419  -3.836
  261   HD21  LEU  33          HD21      LEU  33  13.826  20.403  -5.307
  262   HD22  LEU  33          HD22      LEU  33  13.926  19.414  -3.830
  263   HD23  LEU  33          HD23      LEU  33  12.813  20.790  -3.904
  264    H    GLU  34           H        GLU  34  18.233  22.457  -5.801
  265    HA   GLU  34           HA       GLU  34  16.491  24.060  -7.394
  266    HB2  GLU  34           HB2      GLU  34  18.404  24.885  -6.040
  267    HB3  GLU  34           HB3      GLU  34  19.526  24.184  -7.216
  268    HG2  GLU  34           HG2      GLU  34  18.634  25.651  -8.976
  269    HG3  GLU  34           HG3      GLU  34  17.397  26.265  -7.879
  270    H    ALA  35           H        ALA  35  19.071  21.789  -8.417
  271    HA   ALA  35           HA       ALA  35  18.808  22.269 -11.228
  272    HB1  ALA  35           HB1      ALA  35  19.970  20.100 -11.451
  273    HB2  ALA  35           HB2      ALA  35  20.726  21.102 -10.199
  274    HB3  ALA  35           HB3      ALA  35  19.677  19.745  -9.736
  275    H    MET  36           H        MET  36  17.085  19.959  -9.070
  276    HA   MET  36           HA       MET  36  15.407  18.834 -11.143
  277    HB2  MET  36           HB2      MET  36  15.336  18.953  -8.111
  278    HB3  MET  36           HB3      MET  36  14.028  18.207  -9.021
  279    HG2  MET  36           HG2      MET  36  16.923  17.432  -9.450
  280    HG3  MET  36           HG3      MET  36  15.926  16.664  -8.232
  281    HE1  MET  36           HE1      MET  36  14.235  14.896  -8.555
  282    HE2  MET  36           HE2      MET  36  13.144  16.120  -9.228
  283    HE3  MET  36           HE3      MET  36  13.345  14.568 -10.069
  284    H    GLU  37           H        GLU  37  14.909  21.636  -8.933
  285    HA   GLU  37           HA       GLU  37  12.238  22.188  -9.763
  286    HB2  GLU  37           HB2      GLU  37  13.532  23.103  -7.750
  287    HB3  GLU  37           HB3      GLU  37  14.359  24.178  -8.876
  288    HG2  GLU  37           HG2      GLU  37  12.682  25.517  -8.009
  289    HG3  GLU  37           HG3      GLU  37  11.968  25.006  -9.528
  290    H    SER  38           H        SER  38  15.388  23.384 -11.045
  291    HA   SER  38           HA       SER  38  14.276  25.101 -13.023
  292    HB2  SER  38           HB2      SER  38  16.458  25.366 -13.786
  293    HB3  SER  38           HB3      SER  38  16.660  24.987 -12.068
  294    HG   SER  38           HG       SER  38  17.093  22.783 -12.731
  295    H    THR  39           H        THR  39  14.706  21.668 -13.056
  296    HA   THR  39           HA       THR  39  14.329  21.469 -16.027
  297    HB   THR  39           HB       THR  39  15.011  19.085 -15.725
  298    HG1  THR  39           HG1      THR  39  15.922  19.820 -13.180
  299   HG21  THR  39          HG21      THR  39  17.001  21.117 -14.630
  300   HG22  THR  39          HG22      THR  39  17.383  19.504 -15.259
  301   HG23  THR  39          HG23      THR  39  16.714  20.745 -16.341
  302    H    GLY  40           H        GLY  40  12.371  21.418 -13.286
  303    HA2  GLY  40           HA2      GLY  40  10.162  20.825 -13.038
  304    HA3  GLY  40           HA3      GLY  40  10.111  20.303 -14.727
  305    H    GLY  41           H        GLY  41  12.425  19.004 -12.362
  306    HA2  GLY  41           HA2      GLY  41  12.514  17.005 -11.237
  307    HA3  GLY  41           HA3      GLY  41  10.867  16.617 -11.733
  308    H    ARG  42           H        ARG  42  13.145  17.337 -14.334
  309    HA   ARG  42           HA       ARG  42  13.001  14.500 -15.211
  310    HB2  ARG  42           HB2      ARG  42  13.730  17.131 -16.475
  311    HB3  ARG  42           HB3      ARG  42  14.599  15.732 -17.077
  312    HG2  ARG  42           HG2      ARG  42  11.567  15.825 -16.933
  313    HG3  ARG  42           HG3      ARG  42  12.515  16.315 -18.347
  314    HD2  ARG  42           HD2      ARG  42  13.547  14.034 -18.444
  315    HD3  ARG  42           HD3      ARG  42  12.510  13.533 -17.092
  316    HE   ARG  42           HE       ARG  42  10.889  14.646 -19.182
  317   HH11  ARG  42          HH21      ARG  42  12.677  11.686 -18.517
  318   HH12  ARG  42          HH22      ARG  42  11.618  10.743 -19.535
  319   HH21  ARG  42          HH11      ARG  42   9.607  13.330 -20.464
  320   HH22  ARG  42          HH12      ARG  42   9.960  11.625 -20.574
  321    H    VAL  43           H        VAL  43  14.161  13.356 -13.753
  322    HA   VAL  43           HA       VAL  43  16.425  14.168 -12.373
  323    HB   VAL  43           HB       VAL  43  15.802  11.302 -13.183
  324   HG11  VAL  43          HG11      VAL  43  17.375  12.431 -10.822
  325   HG12  VAL  43          HG12      VAL  43  16.926  10.725 -11.031
  326   HG13  VAL  43          HG13      VAL  43  18.048  11.478 -12.164
  327   HG21  VAL  43          HG21      VAL  43  14.596  11.162 -11.039
  328   HG22  VAL  43          HG22      VAL  43  14.899  12.889 -10.738
  329   HG23  VAL  43          HG23      VAL  43  13.841  12.375 -12.074
  330    H    ARG  44           H        ARG  44  16.511  12.465 -15.572
  331    HA   ARG  44           HA       ARG  44  19.357  12.284 -15.667
  332    HB2  ARG  44           HB2      ARG  44  19.134  11.755 -17.971
  333    HB3  ARG  44           HB3      ARG  44  17.860  10.960 -17.061
  334    HG2  ARG  44           HG2      ARG  44  16.233  12.743 -17.850
  335    HG3  ARG  44           HG3      ARG  44  17.531  13.405 -18.855
  336    HD2  ARG  44           HD2      ARG  44  16.467  10.562 -19.039
  337    HD3  ARG  44           HD3      ARG  44  15.970  11.898 -20.088
  338    HE   ARG  44           HE       ARG  44  18.709  11.900 -20.384
  339   HH11  ARG  44          HH21      ARG  44  16.298   9.400 -20.901
  340   HH12  ARG  44          HH22      ARG  44  17.262   8.605 -22.115
  341   HH21  ARG  44          HH12      ARG  44  19.886  10.822 -21.917
  342   HH22  ARG  44          HH11      ARG  44  19.233   9.400 -22.679
  343    H    ILE  45           H        ILE  45  17.248  14.958 -16.646
  344    HA   ILE  45           HA       ILE  45  19.445  16.511 -17.835
  345    HB   ILE  45           HB       ILE  45  16.664  17.476 -17.071
  346   HG12  ILE  45          HG12      ILE  45  17.648  16.323 -19.722
  347   HG13  ILE  45          HG13      ILE  45  16.478  15.570 -18.644
  348   HG21  ILE  45          HG21      ILE  45  17.125  19.294 -18.659
  349   HG22  ILE  45          HG22      ILE  45  18.433  19.257 -17.498
  350   HG23  ILE  45          HG23      ILE  45  18.677  18.556 -19.106
  351   HD11  ILE  45          HD11      ILE  45  16.049  18.086 -20.275
  352   HD12  ILE  45          HD12      ILE  45  15.246  16.515 -20.423
  353   HD13  ILE  45          HD13      ILE  45  14.937  17.526 -18.998
  354    H    ALA  46           H        ALA  46  17.712  16.368 -14.707
  355    HA   ALA  46           HA       ALA  46  18.958  18.625 -13.508
  356    HB1  ALA  46           HB1      ALA  46  16.890  17.495 -12.686
  357    HB2  ALA  46           HB2      ALA  46  17.861  16.097 -12.199
  358    HB3  ALA  46           HB3      ALA  46  18.128  17.668 -11.419
  359    H    ILE  47           H        ILE  47  19.905  15.096 -13.346
  360    HA   ILE  47           HA       ILE  47  22.304  15.730 -11.870
  361    HB   ILE  47           HB       ILE  47  23.017  13.484 -12.158
  362   HG12  ILE  47          HG12      ILE  47  20.805  13.155 -14.209
  363   HG13  ILE  47          HG13      ILE  47  22.538  13.060 -14.496
  364   HG21  ILE  47          HG21      ILE  47  20.016  13.495 -11.670
  365   HG22  ILE  47          HG22      ILE  47  21.227  12.401 -10.994
  366   HG23  ILE  47          HG23      ILE  47  21.226  14.109 -10.529
  367   HD11  ILE  47          HD11      ILE  47  22.634  11.048 -12.989
  368   HD12  ILE  47          HD12      ILE  47  20.851  11.091 -12.917
  369   HD13  ILE  47          HD13      ILE  47  21.668  10.834 -14.463
  370    H    ALA  48           H        ALA  48  21.696  15.411 -15.416
  371    HA   ALA  48           HA       ALA  48  24.370  15.786 -16.256
  372    HB1  ALA  48           HB1      ALA  48  21.739  16.735 -17.472
  373    HB2  ALA  48           HB2      ALA  48  23.304  16.687 -18.320
  374    HB3  ALA  48           HB3      ALA  48  22.549  15.183 -17.757
  375    H    LYS  49           H        LYS  49  21.930  18.345 -15.413
  376    HA   LYS  49           HA       LYS  49  23.716  20.572 -15.857
  377    HB2  LYS  49           HB2      LYS  49  21.270  20.702 -15.895
  378    HB3  LYS  49           HB3      LYS  49  21.185  20.260 -14.186
  379    HG2  LYS  49           HG2      LYS  49  22.380  22.318 -13.556
  380    HG3  LYS  49           HG3      LYS  49  22.548  22.782 -15.255
  381    HD2  LYS  49           HD2      LYS  49  19.872  22.333 -13.846
  382    HD3  LYS  49           HD3      LYS  49  20.677  23.909 -13.961
  383    HE2  LYS  49           HE2      LYS  49  20.661  23.626 -16.503
  384    HE3  LYS  49           HE3      LYS  49  19.636  22.208 -16.275
  385    HZ1  LYS  49           HZ1      LYS  49  18.042  23.730 -15.072
  386    HZ2  LYS  49           HZ2      LYS  49  18.976  25.010 -15.479
  387    HZ3  LYS  49           HZ3      LYS  49  18.245  24.148 -16.651
  388    H    LEU  50           H        LEU  50  22.856  18.711 -12.929
  389    HA   LEU  50           HA       LEU  50  24.365  20.237 -11.091
  390    HB2  LEU  50           HB2      LEU  50  22.510  18.560 -10.737
  391    HB3  LEU  50           HB3      LEU  50  23.677  17.270 -11.021
  392    HG   LEU  50           HG       LEU  50  24.878  17.906  -8.973
  393   HD11  LEU  50          HD11      LEU  50  24.491  20.319  -8.842
  394   HD12  LEU  50          HD12      LEU  50  22.728  20.066  -8.773
  395   HD13  LEU  50          HD13      LEU  50  23.758  19.568  -7.419
  396   HD21  LEU  50          HD21      LEU  50  21.848  17.616  -8.715
  397   HD22  LEU  50          HD22      LEU  50  23.028  16.303  -8.818
  398   HD23  LEU  50          HD23      LEU  50  22.994  17.337  -7.390
  399    H    LEU  51           H        LEU  51  25.406  17.572 -13.243
  400    HA   LEU  51           HA       LEU  51  28.160  17.639 -12.231
  401    HB2  LEU  51           HB2      LEU  51  26.856  16.398 -14.678
  402    HB3  LEU  51           HB3      LEU  51  28.569  16.239 -14.307
  403    HG   LEU  51           HG       LEU  51  26.371  15.307 -12.400
  404   HD11  LEU  51          HD11      LEU  51  27.972  13.705 -14.433
  405   HD12  LEU  51          HD12      LEU  51  26.854  13.039 -13.226
  406   HD13  LEU  51          HD13      LEU  51  26.235  14.067 -14.525
  407   HD21  LEU  51          HD21      LEU  51  28.530  15.652 -11.282
  408   HD22  LEU  51          HD22      LEU  51  28.219  13.914 -11.466
  409   HD23  LEU  51          HD23      LEU  51  29.358  14.721 -12.555
  410    H    SER  52           H        SER  52  26.507  19.075 -15.141
  411    HA   SER  52           HA       SER  52  28.964  19.990 -16.261
  412    HB2  SER  52           HB2      SER  52  27.680  21.126 -17.895
  413    HB3  SER  52           HB3      SER  52  26.893  19.576 -17.558
  414    HG   SER  52           HG       SER  52  25.436  21.412 -17.657
  415    H    LYS  53           H        LYS  53  26.820  21.560 -13.944
  416    HA   LYS  53           HA       LYS  53  28.191  24.130 -13.968
  417    HB2  LYS  53           HB2      LYS  53  26.451  22.712 -11.900
  418    HB3  LYS  53           HB3      LYS  53  27.056  24.346 -11.679
  419    HG2  LYS  53           HG2      LYS  53  25.302  23.507 -14.014
  420    HG3  LYS  53           HG3      LYS  53  24.716  24.216 -12.505
  421    HD2  LYS  53           HD2      LYS  53  26.097  26.254 -12.951
  422    HD3  LYS  53           HD3      LYS  53  26.599  25.555 -14.507
  423    HE2  LYS  53           HE2      LYS  53  24.226  25.446 -15.226
  424    HE3  LYS  53           HE3      LYS  53  23.722  26.146 -13.675
  425    HZ1  LYS  53           HZ1      LYS  53  23.880  27.852 -15.399
  426    HZ2  LYS  53           HZ2      LYS  53  24.997  28.159 -14.253
  427    HZ3  LYS  53           HZ3      LYS  53  25.450  27.511 -15.685
  428    H    GLN  54           H        GLN  54  29.250  21.098 -12.854
  429    HA   GLN  54           HA       GLN  54  31.200  22.316 -10.963
  430    HB2  GLN  54           HB2      GLN  54  30.203  19.454 -11.252
  431    HB3  GLN  54           HB3      GLN  54  31.557  19.930 -10.228
  432    HG2  GLN  54           HG2      GLN  54  30.080  21.474  -8.957
  433    HG3  GLN  54           HG3      GLN  54  28.699  20.945  -9.926
  434   HE21  GLN  54          HE22      GLN  54  27.831  18.812  -9.572
  435   HE22  GLN  54          HE21      GLN  54  28.429  17.777  -8.254
  436    H    THR  55           H        THR  55  33.390  21.043 -10.981
  437    HA   THR  55           HA       THR  55  34.715  21.381 -13.498
  438    HB   THR  55           HB       THR  55  36.600  20.152 -12.365
  439    HG1  THR  55           HG1      THR  55  36.298  19.648 -10.172
  440   HG21  THR  55          HG21      THR  55  36.334  22.613 -12.147
  441   HG22  THR  55          HG22      THR  55  35.332  22.379 -10.703
  442   HG23  THR  55          HG23      THR  55  37.040  21.878 -10.702
  443    H    SER  56           H        SER  56  32.920  18.655 -12.277
  444    HA   SER  56           HA       SER  56  33.953  16.595 -13.953
  445    HB2  SER  56           HB2      SER  56  31.121  16.952 -12.898
  446    HB3  SER  56           HB3      SER  56  31.874  15.436 -13.437
  447    HG   SER  56           HG       SER  56  31.971  15.614 -11.156
  448    H    GLY  57           H        GLY  57  32.185  19.401 -14.910
  449    HA2  GLY  57           HA2      GLY  57  30.594  18.398 -17.043
  450    HA3  GLY  57           HA3      GLY  57  31.193  20.048 -16.872
  451    H    GLY  58           H        GLY  58  30.820  18.731 -19.311
  452    HA2  GLY  58           HA2      GLY  58  33.338  17.788 -20.447
  453    HA3  GLY  58           HA3      GLY  58  31.839  18.115 -21.301
  454    H    SER  59           H        SER  59  33.599  18.829 -22.835
  455    HA   SER  59           HA       SER  59  35.105  21.203 -22.348
  456    HB2  SER  59           HB2      SER  59  34.463  19.852 -24.993
  457    HB3  SER  59           HB3      SER  59  35.787  20.986 -24.679
  458    HG   SER  59           HG       SER  59  36.484  18.786 -24.583
  459    H    GLY  60           H        GLY  60  31.797  21.055 -23.095
  460    HA2  GLY  60           HA2      GLY  60  30.284  22.752 -23.474
  461    HA3  GLY  60           HA3      GLY  60  31.607  23.916 -23.377
  462    H    GLY  61           H        GLY  61  31.606  21.313 -25.769
  463    HA2  GLY  61           HA2      GLY  61  31.960  23.153 -27.967
  464    HA3  GLY  61           HA3      GLY  61  31.859  21.397 -28.055
  465    H    SER  62           H        SER  62  29.047  22.008 -26.582
  466    HA   SER  62           HA       SER  62  26.873  21.883 -27.224
  467    HB2  SER  62           HB2      SER  62  27.692  24.256 -28.922
  468    HB3  SER  62           HB3      SER  62  26.031  23.837 -28.456
  469    HG   SER  62           HG       SER  62  26.984  25.399 -27.041
  470    H    LYS  63           H        LYS  63  28.282  19.958 -28.566
  471    HA   LYS  63           HA       LYS  63  28.220  19.849 -31.341
  472    HB2  LYS  63           HB2      LYS  63  29.365  18.362 -29.645
  473    HB3  LYS  63           HB3      LYS  63  27.875  17.442 -29.499
  474    HG2  LYS  63           HG2      LYS  63  29.126  17.881 -32.237
  475    HG3  LYS  63           HG3      LYS  63  29.888  16.765 -31.111
  476    HD2  LYS  63           HD2      LYS  63  27.817  15.431 -30.950
  477    HD3  LYS  63           HD3      LYS  63  27.023  16.508 -32.120
  478    HE2  LYS  63           HE2      LYS  63  28.776  15.979 -33.799
  479    HE3  LYS  63           HE3      LYS  63  29.575  14.913 -32.639
  480    HZ1  LYS  63           HZ1      LYS  63  28.165  13.651 -34.155
  481    HZ2  LYS  63           HZ2      LYS  63  27.564  13.509 -32.647
  482    HZ3  LYS  63           HZ3      LYS  63  26.833  14.494 -33.741
  483    H    LEU  64           H        LEU  64  25.530  19.161 -29.237
  484    HA   LEU  64           HA       LEU  64  23.813  18.366 -31.559
  485    HB2  LEU  64           HB2      LEU  64  23.560  17.774 -28.591
  486    HB3  LEU  64           HB3      LEU  64  22.462  17.192 -29.841
  487    HG   LEU  64           HG       LEU  64  25.441  16.508 -29.776
  488   HD11  LEU  64          HD11      LEU  64  23.044  14.870 -28.839
  489   HD12  LEU  64          HD12      LEU  64  24.733  14.315 -28.912
  490   HD13  LEU  64          HD13      LEU  64  24.276  15.605 -27.790
  491   HD21  LEU  64          HD21      LEU  64  24.427  16.265 -32.017
  492   HD22  LEU  64          HD22      LEU  64  24.759  14.676 -31.310
  493   HD23  LEU  64          HD23      LEU  64  23.099  15.308 -31.327
  494    H    GLY  65           H        GLY  65  24.433  21.184 -30.163
  495    HA2  GLY  65           HA2      GLY  65  21.718  22.128 -29.544
  496    HA3  GLY  65           HA3      GLY  65  23.212  23.061 -29.538
  497    H    GLY  66           H        GLY  66  23.403  21.688 -32.470
  498    HA2  GLY  66           HA2      GLY  66  22.537  24.063 -33.921
  499    HA3  GLY  66           HA3      GLY  66  23.310  22.630 -34.584
  500    H    SER  67           H        SER  67  21.661  23.405 -36.276
  501    HA   SER  67           HA       SER  67  18.898  23.035 -36.093
  502    HB2  SER  67           HB2      SER  67  20.674  22.518 -38.510
  503    HB3  SER  67           HB3      SER  67  18.926  22.811 -38.539
  504    HG   SER  67           HG       SER  67  20.139  24.733 -38.960
  505    H    GLY  68           H        GLY  68  17.488  21.370 -36.221
  506    HA2  GLY  68           HA2      GLY  68  16.659  19.214 -36.399
  507    HA3  GLY  68           HA3      GLY  68  18.213  18.649 -37.003
  508    H    GLY  69           H        GLY  69  18.957  20.224 -34.138
  509    HA2  GLY  69           HA2      GLY  69  19.434  17.857 -32.604
  510    HA3  GLY  69           HA3      GLY  69  19.501  19.527 -32.026
  511    H    SER  70           H        SER  70  16.713  20.167 -32.595
  512    HA   SER  70           HA       SER  70  15.295  18.866 -30.381
  513    HB2  SER  70           HB2      SER  70  14.331  20.872 -32.453
  514    HB3  SER  70           HB3      SER  70  13.419  20.324 -31.031
  515    HG   SER  70           HG       SER  70  14.550  22.314 -30.652
  516    H    ARG  71           H        ARG  71  14.118  17.055 -30.536
  517    HA   ARG  71           HA       ARG  71  13.688  15.845 -33.229
  518    HB2  ARG  71           HB2      ARG  71  13.718  14.501 -30.508
  519    HB3  ARG  71           HB3      ARG  71  13.720  13.711 -32.079
  520    HG2  ARG  71           HG2      ARG  71  15.965  15.322 -30.816
  521    HG3  ARG  71           HG3      ARG  71  15.942  13.604 -31.173
  522    HD2  ARG  71           HD2      ARG  71  15.986  15.859 -33.222
  523    HD3  ARG  71           HD3      ARG  71  17.352  14.839 -32.760
  524    HE   ARG  71           HE       ARG  71  15.489  12.994 -33.577
  525   HH11  ARG  71          HH11      ARG  71  16.918  15.772 -35.193
  526   HH12  ARG  71          HH12      ARG  71  16.701  15.059 -36.773
  527   HH21  ARG  71          HH21      ARG  71  15.234  12.169 -35.620
  528   HH22  ARG  71          HH22      ARG  71  15.776  13.071 -37.003
  529    H    LYS  72           H        LYS  72  11.758  17.611 -31.382
  530    HA   LYS  72           HA       LYS  72   9.303  16.326 -32.422
  531    HB2  LYS  72           HB2      LYS  72   8.107  16.527 -30.313
  532    HB3  LYS  72           HB3      LYS  72   9.495  15.458 -30.136
  533    HG2  LYS  72           HG2      LYS  72  10.777  17.285 -29.037
  534    HG3  LYS  72           HG3      LYS  72   9.393  18.377 -29.235
  535    HD2  LYS  72           HD2      LYS  72   8.006  16.895 -27.819
  536    HD3  LYS  72           HD3      LYS  72   9.387  15.788 -27.622
  537    HE2  LYS  72           HE2      LYS  72  10.710  17.625 -26.590
  538    HE3  LYS  72           HE3      LYS  72   9.350  18.733 -26.794
  539    HZ1  LYS  72           HZ1      LYS  72   8.052  17.314 -25.274
  540    HZ2  LYS  72           HZ2      LYS  72   9.313  16.283 -25.090
  541    HZ3  LYS  72           HZ3      LYS  72   9.418  17.814 -24.538
  542    H    ASP  73           H        ASP  73   7.462  17.684 -32.483
  543    HA   ASP  73           HA       ASP  73   7.747  20.570 -32.018
  544    HB2  ASP  73           HB2      ASP  73   8.602  20.250 -34.329
  545    HB3  ASP  73           HB3      ASP  73   7.102  19.429 -34.768
  546    H    LEU  74           H        LEU  74   5.785  21.561 -31.631
  547    HA   LEU  74           HA       LEU  74   3.754  21.698 -30.642
  548    HB2  LEU  74           HB2      LEU  74   2.814  19.726 -32.750
  549    HB3  LEU  74           HB3      LEU  74   1.811  20.830 -31.823
  550    HG   LEU  74           HG       LEU  74   3.883  21.660 -33.895
  551   HD11  LEU  74          HD11      LEU  74   1.856  20.606 -34.834
  552   HD12  LEU  74          HD12      LEU  74   0.838  21.752 -33.934
  553   HD13  LEU  74          HD13      LEU  74   1.933  22.333 -35.211
  554   HD21  LEU  74          HD21      LEU  74   2.874  23.922 -33.648
  555   HD22  LEU  74          HD22      LEU  74   1.914  23.340 -32.272
  556   HD23  LEU  74          HD23      LEU  74   3.690  23.406 -32.173
  557    H    SER  75           H        SER  75   1.676  20.001 -30.027
  558    HA   SER  75           HA       SER  75   2.651  18.712 -27.692
  559    HB2  SER  75           HB2      SER  75  -0.040  18.374 -29.066
  560    HB3  SER  75           HB3      SER  75   0.344  17.931 -27.392
  561    HG   SER  75           HG       SER  75  -0.654  20.013 -27.538
  562    H    VAL  76           H        VAL  76   2.855  16.597 -27.078
  563    HA   VAL  76           HA       VAL  76   2.618  14.405 -29.083
  564    HB   VAL  76           HB       VAL  76   4.747  13.430 -28.314
  565   HG11  VAL  76          HG11      VAL  76   5.138  16.203 -29.487
  566   HG12  VAL  76          HG12      VAL  76   6.235  14.813 -29.614
  567   HG13  VAL  76          HG13      VAL  76   4.646  14.756 -30.395
  568   HG21  VAL  76          HG21      VAL  76   5.300  16.106 -26.968
  569   HG22  VAL  76          HG22      VAL  76   4.984  14.569 -26.125
  570   HG23  VAL  76          HG23      VAL  76   6.420  14.741 -27.139
  571    H    LYS  77           H        LYS  77   2.735  12.235 -28.097
  572    HA   LYS  77           HA       LYS  77   0.869  12.018 -25.889
  573    HB2  LYS  77           HB2      LYS  77   2.540   9.916 -27.339
  574    HB3  LYS  77           HB3      LYS  77   1.302   9.557 -26.129
  575    HG2  LYS  77           HG2      LYS  77  -0.418  10.675 -27.532
  576    HG3  LYS  77           HG3      LYS  77   0.804  10.989 -28.778
  577    HD2  LYS  77           HD2      LYS  77   1.196   8.549 -29.017
  578    HD3  LYS  77           HD3      LYS  77  -0.041   8.232 -27.780
  579    HE2  LYS  77           HE2      LYS  77  -1.740   9.376 -29.195
  580    HE3  LYS  77           HE3      LYS  77  -0.511   9.684 -30.427
  581    HZ1  LYS  77           HZ1      LYS  77  -1.810   7.700 -30.957
  582    HZ2  LYS  77           HZ2      LYS  77  -0.261   7.266 -30.692
  583    HZ3  LYS  77           HZ3      LYS  77  -1.398   6.978 -29.551
  584    H    GLY  78           H        GLY  78   1.131  11.076 -23.870
  585    HA2  GLY  78           HA2      GLY  78   3.531  11.806 -22.411
  586    HA3  GLY  78           HA3      GLY  78   2.102  11.006 -21.765
  587    H    MET  79           H        MET  79   4.533  10.325 -20.835
  588    HA   MET  79           HA       MET  79   4.861   7.494 -21.685
  589    HB2  MET  79           HB2      MET  79   7.137   9.464 -21.189
  590    HB3  MET  79           HB3      MET  79   7.327   7.711 -21.343
  591    HG2  MET  79           HG2      MET  79   6.335   7.823 -23.631
  592    HG3  MET  79           HG3      MET  79   6.266   9.582 -23.491
  593    HE1  MET  79           HE1      MET  79   9.059   9.049 -26.156
  594    HE2  MET  79           HE2      MET  79   7.591   8.073 -25.930
  595    HE3  MET  79           HE3      MET  79   7.518   9.843 -25.771
  596    H    LEU  80           H        LEU  80   5.743   6.116 -20.026
  597    HA   LEU  80           HA       LEU  80   5.256   7.079 -17.242
  598    HB2  LEU  80           HB2      LEU  80   3.393   5.724 -18.158
  599    HB3  LEU  80           HB3      LEU  80   4.520   4.419 -18.517
  600    HG   LEU  80           HG       LEU  80   4.986   4.164 -16.070
  601   HD11  LEU  80          HD11      LEU  80   2.730   6.195 -15.753
  602   HD12  LEU  80          HD12      LEU  80   3.428   5.213 -14.446
  603   HD13  LEU  80          HD13      LEU  80   4.416   6.430 -15.253
  604   HD21  LEU  80          HD21      LEU  80   2.042   4.015 -16.843
  605   HD22  LEU  80          HD22      LEU  80   3.282   2.790 -17.197
  606   HD23  LEU  80          HD23      LEU  80   2.827   3.125 -15.519
  607    H    TYR  81           H        TYR  81   6.664   6.483 -15.682
  608    HA   TYR  81           HA       TYR  81   8.924   4.643 -16.306
  609    HB2  TYR  81           HB2      TYR  81   9.268   7.329 -14.938
  610    HB3  TYR  81           HB3      TYR  81  10.523   6.226 -15.465
  611    HD1  TYR  81           HD2      TYR  81  10.797   5.838 -18.031
  612    HD2  TYR  81           HD1      TYR  81   8.517   9.086 -16.334
  613    HE1  TYR  81           HE2      TYR  81  11.025   7.116 -20.158
  614    HE2  TYR  81           HE1      TYR  81   8.745  10.357 -18.459
  615    HH   TYR  81           HH       TYR  81  10.505   9.052 -21.299
  616    H    ASP  82           H        ASP  82   9.913   3.672 -14.458
  617    HA   ASP  82           HA       ASP  82   8.321   3.474 -12.011
  618    HB2  ASP  82           HB2      ASP  82   9.641   1.600 -12.899
  619    HB3  ASP  82           HB3      ASP  82  11.131   2.526 -12.680
  620    H    SER  83           H        SER  83  11.322   5.137 -12.971
  621    HA   SER  83           HA       SER  83  11.591   6.592 -10.437
  622    HB2  SER  83           HB2      SER  83  13.604   7.556 -11.610
  623    HB3  SER  83           HB3      SER  83  13.618   5.807 -11.355
  624    HG   SER  83           HG       SER  83  14.269   6.371 -13.493
  625    H    ASP  84           H        ASP  84   9.174   7.166 -11.315
  626    HA   ASP  84           HA       ASP  84   8.689   9.047 -13.284
  627    HB2  ASP  84           HB2      ASP  84   6.939   7.810 -12.152
  628    HB3  ASP  84           HB3      ASP  84   7.272   8.638 -10.633
  629    H    SER  85           H        SER  85   8.882  11.167 -13.619
  630    HA   SER  85           HA       SER  85  10.775  12.691 -12.236
  631    HB2  SER  85           HB2      SER  85   9.833  14.598 -13.613
  632    HB3  SER  85           HB3      SER  85  10.299  13.147 -14.523
  633    HG   SER  85           HG       SER  85   8.218  13.945 -15.167
  634    H    GLN  86           H        GLN  86   7.191  13.003 -12.050
  635    HA   GLN  86           HA       GLN  86   7.332  15.194 -10.156
  636    HB2  GLN  86           HB2      GLN  86   5.007  13.390 -10.970
  637    HB3  GLN  86           HB3      GLN  86   4.878  14.829  -9.955
  638    HG2  GLN  86           HG2      GLN  86   5.765  16.228 -11.816
  639    HG3  GLN  86           HG3      GLN  86   5.851  14.800 -12.849
  640   HE21  GLN  86          HE22      GLN  86   3.542  16.922 -11.062
  641   HE22  GLN  86          HE21      GLN  86   2.171  16.481 -12.067
  642    H    GLN  87           H        GLN  87   6.831  11.640  -9.756
  643    HA   GLN  87           HA       GLN  87   6.334  11.765  -6.949
  644    HB2  GLN  87           HB2      GLN  87   5.888   9.837  -8.483
  645    HB3  GLN  87           HB3      GLN  87   7.632   9.513  -8.540
  646    HG2  GLN  87           HG2      GLN  87   7.645   9.094  -6.103
  647    HG3  GLN  87           HG3      GLN  87   5.932   9.503  -6.006
  648   HE21  GLN  87          HE22      GLN  87   6.159   7.176  -4.948
  649   HE22  GLN  87          HE21      GLN  87   5.873   5.853  -6.068
  650    H    ILE  88           H        ILE  88   9.458  11.301  -8.713
  651    HA   ILE  88           HA       ILE  88  11.044  11.223  -6.279
  652    HB   ILE  88           HB       ILE  88  11.661  11.534  -9.229
  653   HG12  ILE  88          HG12      ILE  88  12.764   9.454  -9.029
  654   HG13  ILE  88          HG13      ILE  88  12.781   9.513  -7.271
  655   HG21  ILE  88          HG21      ILE  88  13.348  12.938  -8.167
  656   HG22  ILE  88          HG22      ILE  88  13.675  11.706  -6.930
  657   HG23  ILE  88          HG23      ILE  88  14.100  11.415  -8.630
  658   HD11  ILE  88          HD11      ILE  88  11.287   7.769  -8.096
  659   HD12  ILE  88          HD12      ILE  88  10.379   8.983  -7.193
  660   HD13  ILE  88          HD13      ILE  88  10.321   8.960  -8.973
  661    H    LEU  89           H        LEU  89  10.224  13.905  -8.554
  662    HA   LEU  89           HA       LEU  89  11.623  15.945  -7.152
  663    HB2  LEU  89           HB2      LEU  89  10.610  16.253  -9.375
  664    HB3  LEU  89           HB3      LEU  89   9.000  16.041  -8.696
  665    HG   LEU  89           HG       LEU  89   9.290  18.157  -7.387
  666   HD11  LEU  89          HD11      LEU  89  11.092  19.709  -8.000
  667   HD12  LEU  89          HD12      LEU  89  11.791  18.240  -7.316
  668   HD13  LEU  89          HD13      LEU  89  11.797  18.499  -9.087
  669   HD21  LEU  89          HD21      LEU  89   9.047  19.656  -9.338
  670   HD22  LEU  89          HD22      LEU  89   9.688  18.388 -10.399
  671   HD23  LEU  89          HD23      LEU  89   8.138  18.150  -9.562
  672    H    ASN  90           H        ASN  90   8.241  14.778  -6.572
  673    HA   ASN  90           HA       ASN  90   7.710  16.504  -4.384
  674    HB2  ASN  90           HB2      ASN  90   5.976  15.223  -5.584
  675    HB3  ASN  90           HB3      ASN  90   6.664  13.702  -5.024
  676   HD21  ASN  90          HD22      ASN  90   5.001  16.680  -3.918
  677   HD22  ASN  90          HD21      ASN  90   4.422  15.955  -2.427
  678    H    ARG  91           H        ARG  91   9.124  13.152  -4.333
  679    HA   ARG  91           HA       ARG  91   9.435  13.110  -1.479
  680    HB2  ARG  91           HB2      ARG  91   9.537  11.173  -3.265
  681    HB3  ARG  91           HB3      ARG  91  11.231  11.606  -3.410
  682    HG2  ARG  91           HG2      ARG  91  11.566  10.160  -1.690
  683    HG3  ARG  91           HG3      ARG  91  10.940  11.415  -0.634
  684    HD2  ARG  91           HD2      ARG  91   9.350   9.161  -1.922
  685    HD3  ARG  91           HD3      ARG  91   9.853   9.246  -0.228
  686    HE   ARG  91           HE       ARG  91   8.402  11.496  -0.300
  687   HH11  ARG  91          HH11      ARG  91   7.400   8.368  -1.628
  688   HH12  ARG  91          HH12      ARG  91   5.724   8.769  -1.386
  689   HH21  ARG  91          HH21      ARG  91   6.432  11.896  -0.078
  690   HH22  ARG  91          HH22      ARG  91   5.147  10.766  -0.526
  691    H    LEU  92           H        LEU  92  11.624  14.323  -4.031
  692    HA   LEU  92           HA       LEU  92  13.775  14.941  -2.211
  693    HB2  LEU  92           HB2      LEU  92  13.955  14.671  -4.715
  694    HB3  LEU  92           HB3      LEU  92  13.080  16.190  -4.899
  695    HG   LEU  92           HG       LEU  92  14.955  17.359  -3.646
  696   HD11  LEU  92          HD11      LEU  92  15.922  15.418  -2.429
  697   HD12  LEU  92          HD12      LEU  92  16.359  14.675  -3.990
  698   HD13  LEU  92          HD13      LEU  92  17.120  16.193  -3.460
  699   HD21  LEU  92          HD21      LEU  92  15.750  15.774  -6.123
  700   HD22  LEU  92          HD22      LEU  92  14.867  17.324  -6.107
  701   HD23  LEU  92          HD23      LEU  92  16.545  17.245  -5.534
  702    H    ARG  93           H        ARG  93  10.931  16.871  -3.343
  703    HA   ARG  93           HA       ARG  93  11.723  19.280  -1.977
  704    HB2  ARG  93           HB2      ARG  93   9.985  19.036  -3.815
  705    HB3  ARG  93           HB3      ARG  93   8.881  18.358  -2.609
  706    HG2  ARG  93           HG2      ARG  93   9.132  20.476  -1.263
  707    HG3  ARG  93           HG3      ARG  93  10.164  21.128  -2.538
  708    HD2  ARG  93           HD2      ARG  93   7.233  20.331  -2.767
  709    HD3  ARG  93           HD3      ARG  93   7.848  21.977  -2.716
  710    HE   ARG  93           HE       ARG  93   7.662  20.233  -5.011
  711   HH11  ARG  93          HH11      ARG  93   9.582  22.952  -3.843
  712   HH12  ARG  93          HH12      ARG  93  10.042  23.402  -5.477
  713   HH21  ARG  93          HH21      ARG  93   8.252  20.983  -7.038
  714   HH22  ARG  93          HH22      ARG  93   9.382  22.317  -7.170
  715    H    GLU  94           H        GLU  94   9.769  16.480  -0.855
  716    HA   GLU  94           HA       GLU  94   9.334  17.454   1.805
  717    HB2  GLU  94           HB2      GLU  94   9.719  14.627   0.760
  718    HB3  GLU  94           HB3      GLU  94   9.175  15.018   2.394
  719    HG2  GLU  94           HG2      GLU  94   7.180  16.125   1.531
  720    HG3  GLU  94           HG3      GLU  94   7.694  15.862  -0.131
  721    H    ARG  95           H        ARG  95  12.004  15.324   0.569
  722    HA   ARG  95           HA       ARG  95  13.393  15.107   3.009
  723    HB2  ARG  95           HB2      ARG  95  13.666  13.803   0.808
  724    HB3  ARG  95           HB3      ARG  95  14.700  15.128   0.254
  725    HG2  ARG  95           HG2      ARG  95  16.182  14.681   2.300
  726    HG3  ARG  95           HG3      ARG  95  15.136  13.292   2.651
  727    HD2  ARG  95           HD2      ARG  95  15.654  12.660   0.130
  728    HD3  ARG  95           HD3      ARG  95  17.055  13.713   0.343
  729    HE   ARG  95           HE       ARG  95  16.395  11.230   1.903
  730   HH11  ARG  95          HH21      ARG  95  19.049  13.478   1.118
  731   HH12  ARG  95          HH22      ARG  95  20.201  12.137   1.303
  732   HH21  ARG  95          HH11      ARG  95  18.001   9.775   2.190
  733   HH22  ARG  95          HH12      ARG  95  19.683  10.312   1.947
  734    H    VAL  96           H        VAL  96  13.804  17.598   0.482
  735    HA   VAL  96           HA       VAL  96  16.039  18.816   1.977
  736    HB   VAL  96           HB       VAL  96  14.881  19.572  -0.730
  737   HG11  VAL  96          HG11      VAL  96  16.214  21.402   0.227
  738   HG12  VAL  96          HG12      VAL  96  17.526  20.274   0.633
  739   HG13  VAL  96          HG13      VAL  96  17.125  20.621  -1.060
  740   HG21  VAL  96          HG21      VAL  96  17.095  17.662   0.112
  741   HG22  VAL  96          HG22      VAL  96  15.722  17.317  -0.921
  742   HG23  VAL  96          HG23      VAL  96  17.004  18.353  -1.528
  743    H    SER  97           H        SER  97  12.653  19.653   1.214
  744    HA   SER  97           HA       SER  97  12.998  22.246   2.667
  745    HB2  SER  97           HB2      SER  97  11.181  21.634   0.317
  746    HB3  SER  97           HB3      SER  97  11.399  23.200   1.102
  747    HG   SER  97           HG       SER  97  13.494  23.307   0.335
  748    H    GLY  98           H        GLY  98  11.362  19.267   3.009
  749    HA2  GLY  98           HA2      GLY  98   8.880  20.292   4.149
  750    HA3  GLY  98           HA3      GLY  98   9.491  18.646   4.215
  751    H    SER  99           H        SER  99   8.276  19.567   6.394
  752    HA   SER  99           HA       SER  99  10.393  19.540   8.441
  753    HB2  SER  99           HB2      SER  99   9.962  21.956   8.007
  754    HB3  SER  99           HB3      SER  99   8.258  21.699   8.437
  755    HG   SER  99           HG       SER  99   9.659  22.471  10.189
  756    H    THR 100           H        THR 100   9.635  18.977  10.518
  757    HA   THR 100           HA       THR 100   7.041  17.480  10.582
  758    HB   THR 100           HB       THR 100   8.150  15.952  12.156
  759    HG1  THR 100           HG1      THR 100  10.390  16.153  12.462
  760   HG21  THR 100          HG21      THR 100   9.599  14.828  10.566
  761   HG22  THR 100          HG22      THR 100   8.227  15.528   9.686
  762   HG23  THR 100          HG23      THR 100   9.812  16.325   9.622
  763    H    ALA 101           H        ALA 101   8.354  20.262  11.805
  764    HA   ALA 101           HA       ALA 101   7.294  20.063  14.546
  765    HB1  ALA 101           HB1      ALA 101   9.460  21.160  14.103
  766    HB2  ALA 101           HB2      ALA 101   8.651  22.349  13.057
  767    HB3  ALA 101           HB3      ALA 101   8.294  22.298  14.796
  768    H    GLN 102           H        GLN 102   5.947  21.824  15.411
  769    HA   GLN 102           HA       GLN 102   3.787  22.756  13.558
  770    HB2  GLN 102           HB2      GLN 102   3.503  21.635  16.388
  771    HB3  GLN 102           HB3      GLN 102   2.232  22.450  15.491
  772    HG2  GLN 102           HG2      GLN 102   1.810  20.128  15.267
  773    HG3  GLN 102           HG3      GLN 102   2.362  20.712  13.704
  774   HE21  GLN 102          HE22      GLN 102   3.404  18.905  12.808
  775   HE22  GLN 102          HE21      GLN 102   4.752  18.104  13.605
  776    H    SER 103           H        SER 103   2.711  24.691  14.130
  777    HA   SER 103           HA       SER 103   3.896  26.447  16.197
  778    HB2  SER 103           HB2      SER 103   4.214  28.277  14.569
  779    HB3  SER 103           HB3      SER 103   5.268  26.892  14.247
  780    HG   SER 103           HG       SER 103   4.292  27.690  12.321
  781    H    ALA 104           H        ALA 104   2.674  28.427  16.536
  782    HA   ALA 104           HA       ALA 104  -0.208  27.962  16.517
  783    HB1  ALA 104           HB1      ALA 104  -0.270  29.976  17.920
  784    HB2  ALA 104           HB2      ALA 104   0.934  28.819  18.517
  785    HB3  ALA 104           HB3      ALA 104   1.452  30.266  17.614
  Start of MODEL    8
    1    H1   SER   1           H1       SER   1 -10.406 -15.307   6.358
    2    H2   SER   1           H2       SER   1 -11.135 -13.870   6.072
    3    H3   SER   1           H3       SER   1  -9.510 -14.025   5.887
    4    HA   SER   1           HA       SER   1 -10.952 -14.296   8.444
    5    HB2  SER   1           HB2      SER   1  -8.674 -14.226   9.477
    6    HB3  SER   1           HB3      SER   1  -9.010 -15.680   8.524
    7    HG   SER   1           HG       SER   1  -6.952 -14.850   8.007
    8    H    VAL   2           H        VAL   2  -8.191 -12.254   7.353
    9    HA   VAL   2           HA       VAL   2  -9.768  -9.784   7.980
   10    HB   VAL   2           HB       VAL   2  -7.765  -8.799   9.020
   11   HG11  VAL   2          HG11      VAL   2  -8.663 -11.329  10.451
   12   HG12  VAL   2          HG12      VAL   2  -7.960  -9.876  11.185
   13   HG13  VAL   2          HG13      VAL   2  -9.552  -9.789  10.416
   14   HG21  VAL   2          HG21      VAL   2  -5.921 -10.188   9.833
   15   HG22  VAL   2          HG22      VAL   2  -6.592 -11.613   9.028
   16   HG23  VAL   2          HG23      VAL   2  -5.988 -10.244   8.067
   17    H    SER   3           H        SER   3  -9.003  -7.832   6.999
   18    HA   SER   3           HA       SER   3  -8.208  -8.151   4.247
   19    HB2  SER   3           HB2      SER   3  -8.357  -5.620   5.937
   20    HB3  SER   3           HB3      SER   3  -8.344  -5.701   4.165
   21    HG   SER   3           HG       SER   3 -10.364  -6.731   4.221
   22    H    ILE   4           H        ILE   4  -6.364  -7.955   3.246
   23    HA   ILE   4           HA       ILE   4  -3.880  -7.198   4.733
   24    HB   ILE   4           HB       ILE   4  -2.799  -9.051   3.300
   25   HG12  ILE   4          HG12      ILE   4  -4.084 -10.958   2.703
   26   HG13  ILE   4          HG13      ILE   4  -5.578 -10.285   3.343
   27   HG21  ILE   4          HG21      ILE   4  -4.680  -9.765   5.579
   28   HG22  ILE   4          HG22      ILE   4  -3.274 -10.706   5.039
   29   HG23  ILE   4          HG23      ILE   4  -3.040  -9.100   5.742
   30   HD11  ILE   4          HD11      ILE   4  -5.447 -10.302   0.847
   31   HD12  ILE   4          HD12      ILE   4  -5.723  -8.692   1.520
   32   HD13  ILE   4          HD13      ILE   4  -4.097  -9.151   0.928
   33    H    LEU   5           H        LEU   5  -5.677  -5.939   2.379
   34    HA   LEU   5           HA       LEU   5  -3.481  -5.263   0.495
   35    HB2  LEU   5           HB2      LEU   5  -6.415  -4.476   0.485
   36    HB3  LEU   5           HB3      LEU   5  -5.235  -4.111  -0.771
   37    HG   LEU   5           HG       LEU   5  -6.210  -6.892  -0.003
   38   HD11  LEU   5          HD11      LEU   5  -7.864  -5.517  -1.208
   39   HD12  LEU   5          HD12      LEU   5  -6.679  -5.208  -2.494
   40   HD13  LEU   5          HD13      LEU   5  -7.279  -6.856  -2.205
   41   HD21  LEU   5          HD21      LEU   5  -4.999  -7.643  -2.050
   42   HD22  LEU   5          HD22      LEU   5  -4.274  -6.026  -2.197
   43   HD23  LEU   5          HD23      LEU   5  -3.897  -7.062  -0.800
   44    H    ARG   6           H        ARG   6  -2.520  -4.469   2.655
   45    HA   ARG   6           HA       ARG   6  -3.506  -1.848   3.607
   46    HB2  ARG   6           HB2      ARG   6  -1.288  -3.646   4.668
   47    HB3  ARG   6           HB3      ARG   6  -1.920  -2.201   5.466
   48    HG2  ARG   6           HG2      ARG   6  -4.161  -3.262   5.642
   49    HG3  ARG   6           HG3      ARG   6  -3.528  -4.718   4.863
   50    HD2  ARG   6           HD2      ARG   6  -1.821  -4.881   6.728
   51    HD3  ARG   6           HD3      ARG   6  -2.705  -3.575   7.550
   52    HE   ARG   6           HE       ARG   6  -4.520  -5.685   6.774
   53   HH11  ARG   6          HH11      ARG   6  -2.101  -5.072   9.241
   54   HH12  ARG   6          HH12      ARG   6  -2.795  -6.253  10.320
   55   HH21  ARG   6          HH21      ARG   6  -5.283  -7.163   8.089
   56   HH22  ARG   6          HH22      ARG   6  -4.608  -7.415   9.691
   57    H    SER   7           H        SER   7  -2.146  -0.107   4.058
   58    HA   SER   7           HA       SER   7  -0.872   1.639   3.386
   59    HB2  SER   7           HB2      SER   7   1.436   1.359   3.848
   60    HB3  SER   7           HB3      SER   7   0.487   0.366   4.955
   61    HG   SER   7           HG       SER   7   2.276  -0.801   4.157
   62    H    SER   8           H        SER   8   1.769   1.269   1.858
   63    HA   SER   8           HA       SER   8   0.890   1.056  -0.926
   64    HB2  SER   8           HB2      SER   8   0.135   3.351  -0.096
   65    HB3  SER   8           HB3      SER   8   1.852   3.759   0.090
   66    HG   SER   8           HG       SER   8   0.915   4.363  -1.982
   67    H    VAL   9           H        VAL   9   2.854   2.132  -2.286
   68    HA   VAL   9           HA       VAL   9   5.136   0.432  -1.937
   69    HB   VAL   9           HB       VAL   9   4.877   2.975  -3.593
   70   HG11  VAL   9          HG11      VAL   9   7.250   2.358  -3.337
   71   HG12  VAL   9          HG12      VAL   9   6.877   0.676  -3.795
   72   HG13  VAL   9          HG13      VAL   9   6.697   1.995  -4.970
   73   HG21  VAL   9          HG21      VAL   9   3.190   1.298  -4.250
   74   HG22  VAL   9          HG22      VAL   9   4.449   1.424  -5.482
   75   HG23  VAL   9          HG23      VAL   9   4.452   0.051  -4.356
   76    H    ASN  10           H        ASN  10   7.045   0.682  -0.889
   77    HA   ASN  10           HA       ASN  10   7.191   2.629   1.216
   78    HB2  ASN  10           HB2      ASN  10   7.913   0.265   1.372
   79    HB3  ASN  10           HB3      ASN  10   9.229   0.581   0.243
   80   HD21  ASN  10          HD22      ASN  10   9.985  -0.514   2.549
   81   HD22  ASN  10          HD21      ASN  10  10.697   0.691   3.616
   82    H    HIS  11           H        HIS  11   8.062   4.601   1.258
   83    HA   HIS  11           HA       HIS  11   9.334   5.837  -1.006
   84    HB2  HIS  11           HB2      HIS  11   9.128   6.768   1.888
   85    HB3  HIS  11           HB3      HIS  11   9.545   7.779   0.507
   86    HD2  HIS  11           HD2      HIS  11   7.558   8.347  -1.282
   87    HE1  HIS  11           HE1      HIS  11   4.323   7.070   1.187
   88    HE2  HIS  11           HE2      HIS  11   4.946   8.344  -0.926
   89    H    ARG  12           H        ARG  12  10.751   3.932   1.553
   90    HA   ARG  12           HA       ARG  12  13.276   5.177   1.829
   91    HB2  ARG  12           HB2      ARG  12  12.303   3.320   3.206
   92    HB3  ARG  12           HB3      ARG  12  12.655   2.192   1.889
   93    HG2  ARG  12           HG2      ARG  12  15.074   2.683   2.101
   94    HG3  ARG  12           HG3      ARG  12  14.743   3.861   3.378
   95    HD2  ARG  12           HD2      ARG  12  14.087   0.889   3.517
   96    HD3  ARG  12           HD3      ARG  12  15.540   1.643   4.198
   97    HE   ARG  12           HE       ARG  12  13.369   3.057   5.285
   98   HH11  ARG  12          HH21      ARG  12  14.580  -0.230   5.492
   99   HH12  ARG  12          HH22      ARG  12  13.938  -0.464   7.094
  100   HH21  ARG  12          HH11      ARG  12  12.543   2.677   7.319
  101   HH22  ARG  12          HH12      ARG  12  12.802   1.139   8.084
  102    H    GLU  13           H        GLU  13  12.197   2.989  -0.781
  103    HA   GLU  13           HA       GLU  13  14.813   2.724  -1.993
  104    HB2  GLU  13           HB2      GLU  13  12.866   1.213  -2.349
  105    HB3  GLU  13           HB3      GLU  13  12.053   2.496  -3.265
  106    HG2  GLU  13           HG2      GLU  13  13.852   2.472  -4.942
  107    HG3  GLU  13           HG3      GLU  13  14.762   1.294  -3.990
  108    H    VAL  14           H        VAL  14  12.186   5.120  -2.378
  109    HA   VAL  14           HA       VAL  14  13.443   6.573  -4.562
  110    HB   VAL  14           HB       VAL  14  11.404   7.621  -2.554
  111   HG11  VAL  14          HG11      VAL  14  10.748   9.139  -4.337
  112   HG12  VAL  14          HG12      VAL  14  12.480   9.340  -4.032
  113   HG13  VAL  14          HG13      VAL  14  11.932   8.413  -5.448
  114   HG21  VAL  14          HG21      VAL  14  10.469   5.570  -3.557
  115   HG22  VAL  14          HG22      VAL  14   9.674   6.993  -4.227
  116   HG23  VAL  14          HG23      VAL  14  10.912   6.145  -5.181
  117    H    ASP  15           H        ASP  15  13.427   6.942  -0.987
  118    HA   ASP  15           HA       ASP  15  15.098   9.266  -0.882
  119    HB2  ASP  15           HB2      ASP  15  13.645   8.339   0.946
  120    HB3  ASP  15           HB3      ASP  15  14.796   7.017   1.153
  121    H    GLU  16           H        GLU  16  15.940   5.755  -0.784
  122    HA   GLU  16           HA       GLU  16  18.768   6.071  -0.629
  123    HB2  GLU  16           HB2      GLU  16  17.671   3.952  -0.187
  124    HB3  GLU  16           HB3      GLU  16  17.038   3.875  -1.836
  125    HG2  GLU  16           HG2      GLU  16  19.288   3.667  -2.757
  126    HG3  GLU  16           HG3      GLU  16  20.005   3.900  -1.163
  127    H    ALA  17           H        ALA  17  16.594   5.953  -3.520
  128    HA   ALA  17           HA       ALA  17  18.720   6.110  -5.409
  129    HB1  ALA  17           HB1      ALA  17  15.805   6.966  -5.618
  130    HB2  ALA  17           HB2      ALA  17  16.915   6.766  -6.991
  131    HB3  ALA  17           HB3      ALA  17  16.470   5.364  -6.000
  132    H    ILE  18           H        ILE  18  16.795   8.693  -3.795
  133    HA   ILE  18           HA       ILE  18  18.075  10.947  -5.012
  134    HB   ILE  18           HB       ILE  18  16.615  10.446  -2.416
  135   HG12  ILE  18          HG12      ILE  18  16.043  12.450  -4.632
  136   HG13  ILE  18          HG13      ILE  18  15.579  10.754  -4.776
  137   HG21  ILE  18          HG21      ILE  18  16.721  12.921  -1.915
  138   HG22  ILE  18          HG22      ILE  18  18.235  12.080  -1.661
  139   HG23  ILE  18          HG23      ILE  18  18.013  13.065  -3.120
  140   HD11  ILE  18          HD11      ILE  18  13.693  12.021  -3.979
  141   HD12  ILE  18          HD12      ILE  18  14.238  10.890  -2.730
  142   HD13  ILE  18          HD13      ILE  18  14.615  12.626  -2.590
  143    H    ASP  19           H        ASP  19  18.978   9.172  -1.975
  144    HA   ASP  19           HA       ASP  19  21.274  10.796  -1.554
  145    HB2  ASP  19           HB2      ASP  19  19.997   9.154   0.041
  146    HB3  ASP  19           HB3      ASP  19  21.119   7.941  -0.574
  147    H    ASN  20           H        ASN  20  20.931   7.683  -3.353
  148    HA   ASN  20           HA       ASN  20  23.672   7.357  -4.006
  149    HB2  ASN  20           HB2      ASN  20  21.924   5.632  -4.339
  150    HB3  ASN  20           HB3      ASN  20  21.164   6.627  -5.591
  151   HD21  ASN  20          HD22      ASN  20  24.139   4.786  -4.789
  152   HD22  ASN  20          HD21      ASN  20  24.617   4.585  -6.464
  153    H    ILE  21           H        ILE  21  21.147   9.314  -5.714
  154    HA   ILE  21           HA       ILE  21  22.939  10.274  -7.774
  155    HB   ILE  21           HB       ILE  21  20.277  11.269  -6.668
  156   HG12  ILE  21          HG12      ILE  21  20.989  10.243  -9.442
  157   HG13  ILE  21          HG13      ILE  21  20.487   9.162  -8.142
  158   HG21  ILE  21          HG21      ILE  21  21.417  13.303  -7.350
  159   HG22  ILE  21          HG22      ILE  21  21.973  12.541  -8.859
  160   HG23  ILE  21          HG23      ILE  21  20.253  12.893  -8.585
  161   HD11  ILE  21          HD11      ILE  21  18.801  11.402  -9.325
  162   HD12  ILE  21          HD12      ILE  21  18.570   9.659  -9.516
  163   HD13  ILE  21          HD13      ILE  21  18.340  10.406  -7.927
  164    H    LEU  22           H        LEU  22  22.011  11.619  -4.576
  165    HA   LEU  22           HA       LEU  22  23.452  14.022  -4.689
  166    HB2  LEU  22           HB2      LEU  22  21.757  13.333  -2.993
  167    HB3  LEU  22           HB3      LEU  22  22.879  12.142  -2.366
  168    HG   LEU  22           HG       LEU  22  24.449  14.016  -1.741
  169   HD11  LEU  22          HD11      LEU  22  23.373  16.257  -1.481
  170   HD12  LEU  22          HD12      LEU  22  23.504  15.803  -3.185
  171   HD13  LEU  22          HD13      LEU  22  21.942  15.667  -2.359
  172   HD21  LEU  22          HD21      LEU  22  23.112  14.582   0.271
  173   HD22  LEU  22          HD22      LEU  22  21.665  13.906  -0.509
  174   HD23  LEU  22          HD23      LEU  22  23.040  12.856  -0.119
  175    H    ARG  23           H        ARG  23  24.648  10.823  -3.459
  176    HA   ARG  23           HA       ARG  23  27.345  11.857  -3.055
  177    HB2  ARG  23           HB2      ARG  23  26.600   8.928  -3.281
  178    HB3  ARG  23           HB3      ARG  23  28.010   9.640  -2.510
  179    HG2  ARG  23           HG2      ARG  23  25.167   9.552  -1.525
  180    HG3  ARG  23           HG3      ARG  23  26.588   8.878  -0.781
  181    HD2  ARG  23           HD2      ARG  23  27.324  10.999   0.004
  182    HD3  ARG  23           HD3      ARG  23  26.204  11.882  -1.055
  183    HE   ARG  23           HE       ARG  23  24.543  10.260   0.470
  184   HH11  ARG  23          HH21      ARG  23  26.914  12.674   1.460
  185   HH12  ARG  23          HH22      ARG  23  25.935  13.182   2.806
  186   HH21  ARG  23          HH12      ARG  23  23.298  11.077   2.014
  187   HH22  ARG  23          HH11      ARG  23  23.945  12.217   3.180
  188    H    TYR  24           H        TYR  24  25.826  10.033  -5.766
  189    HA   TYR  24           HA       TYR  24  28.248   9.571  -7.220
  190    HB2  TYR  24           HB2      TYR  24  26.179   8.394  -7.701
  191    HB3  TYR  24           HB3      TYR  24  25.356   9.898  -8.108
  192    HD1  TYR  24           HD2      TYR  24  28.259   7.742  -9.152
  193    HD2  TYR  24           HD1      TYR  24  25.257  10.601 -10.361
  194    HE1  TYR  24           HE2      TYR  24  28.927   7.447 -11.535
  195    HE2  TYR  24           HE1      TYR  24  25.920  10.293 -12.735
  196    HH   TYR  24           HH       TYR  24  27.336   9.229 -14.209
  197    H    THR  25           H        THR  25  25.958  12.343  -7.326
  198    HA   THR  25           HA       THR  25  27.636  13.776  -9.278
  199    HB   THR  25           HB       THR  25  26.014  15.575  -9.102
  200    HG1  THR  25           HG1      THR  25  24.560  13.930  -7.310
  201   HG21  THR  25          HG21      THR  25  25.527  13.562 -10.572
  202   HG22  THR  25          HG22      THR  25  24.499  12.934  -9.274
  203   HG23  THR  25          HG23      THR  25  24.107  14.477 -10.056
  204    H    ASN  26           H        ASN  26  27.915  13.331  -5.973
  205    HA   ASN  26           HA       ASN  26  28.942  14.356  -4.270
  206    HB2  ASN  26           HB2      ASN  26  30.817  13.831  -5.854
  207    HB3  ASN  26           HB3      ASN  26  30.773  15.506  -6.403
  208   HD21  ASN  26          HD22      ASN  26  33.099  15.371  -5.634
  209   HD22  ASN  26          HD21      ASN  26  33.384  15.683  -3.928
  210    H    SER  27           H        SER  27  26.677  15.574  -4.739
  211    HA   SER  27           HA       SER  27  27.122  18.531  -4.828
  212    HB2  SER  27           HB2      SER  27  24.817  18.621  -5.658
  213    HB3  SER  27           HB3      SER  27  25.855  17.628  -6.695
  214    HG   SER  27           HG       SER  27  24.667  15.950  -6.263
  215    H    THR  28           H        THR  28  25.329  19.830  -3.768
  216    HA   THR  28           HA       THR  28  24.705  18.800  -1.044
  217    HB   THR  28           HB       THR  28  24.064  21.017  -0.442
  218    HG1  THR  28           HG1      THR  28  24.345  22.685  -2.127
  219   HG21  THR  28          HG21      THR  28  26.579  21.315  -2.136
  220   HG22  THR  28          HG22      THR  28  26.107  22.265  -0.711
  221   HG23  THR  28          HG23      THR  28  26.541  20.556  -0.528
  222    H    GLU  29           H        GLU  29  22.541  18.818  -0.216
  223    HA   GLU  29           HA       GLU  29  20.635  17.736  -2.064
  224    HB2  GLU  29           HB2      GLU  29  20.140  18.846   0.730
  225    HB3  GLU  29           HB3      GLU  29  19.120  17.710  -0.174
  226    HG2  GLU  29           HG2      GLU  29  20.891  16.036  -0.152
  227    HG3  GLU  29           HG3      GLU  29  21.948  17.110   0.772
  228    H    GLN  30           H        GLN  30  20.973  21.021  -0.693
  229    HA   GLN  30           HA       GLN  30  18.618  22.079  -1.944
  230    HB2  GLN  30           HB2      GLN  30  19.477  24.251  -1.377
  231    HB3  GLN  30           HB3      GLN  30  19.670  23.142  -0.028
  232    HG2  GLN  30           HG2      GLN  30  22.101  22.880  -0.628
  233    HG3  GLN  30           HG3      GLN  30  21.887  24.078  -1.913
  234   HE21  GLN  30          HE22      GLN  30  21.267  26.343  -1.241
  235   HE22  GLN  30          HE21      GLN  30  21.719  26.854   0.377
  236    H    GLN  31           H        GLN  31  22.003  21.738  -3.182
  237    HA   GLN  31           HA       GLN  31  21.397  23.242  -5.568
  238    HB2  GLN  31           HB2      GLN  31  23.681  22.959  -4.651
  239    HB3  GLN  31           HB3      GLN  31  23.635  21.243  -5.063
  240    HG2  GLN  31           HG2      GLN  31  24.911  22.512  -6.716
  241    HG3  GLN  31           HG3      GLN  31  23.474  21.829  -7.468
  242   HE21  GLN  31          HE22      GLN  31  21.721  23.285  -8.097
  243   HE22  GLN  31          HE21      GLN  31  21.972  25.039  -8.099
  244    H    PHE  32           H        PHE  32  21.160  19.755  -4.769
  245    HA   PHE  32           HA       PHE  32  20.381  18.933  -7.423
  246    HB2  PHE  32           HB2      PHE  32  21.217  17.409  -5.675
  247    HB3  PHE  32           HB3      PHE  32  19.814  17.747  -4.688
  248    HD1  PHE  32           HD1      PHE  32  19.085  17.278  -8.300
  249    HD2  PHE  32           HD2      PHE  32  19.682  15.271  -4.530
  250    HE1  PHE  32           HE1      PHE  32  17.892  15.306  -9.164
  251    HE2  PHE  32           HE2      PHE  32  18.521  13.267  -5.424
  252    HZ   PHE  32           HZ       PHE  32  17.586  13.298  -7.733
  253    H    LEU  33           H        LEU  33  18.409  19.978  -4.547
  254    HA   LEU  33           HA       LEU  33  15.897  19.770  -5.863
  255    HB2  LEU  33           HB2      LEU  33  16.266  19.970  -3.442
  256    HB3  LEU  33           HB3      LEU  33  16.815  21.620  -3.627
  257    HG   LEU  33           HG       LEU  33  14.504  21.267  -2.700
  258   HD11  LEU  33          HD11      LEU  33  13.474  23.141  -3.778
  259   HD12  LEU  33          HD12      LEU  33  15.212  23.442  -3.678
  260   HD13  LEU  33          HD13      LEU  33  14.479  22.960  -5.220
  261   HD21  LEU  33          HD21      LEU  33  13.704  20.606  -5.562
  262   HD22  LEU  33          HD22      LEU  33  13.775  19.444  -4.212
  263   HD23  LEU  33          HD23      LEU  33  12.638  20.799  -4.160
  264    H    GLU  34           H        GLU  34  18.151  22.553  -5.727
  265    HA   GLU  34           HA       GLU  34  16.608  24.290  -7.374
  266    HB2  GLU  34           HB2      GLU  34  18.546  24.965  -5.978
  267    HB3  GLU  34           HB3      GLU  34  19.630  24.113  -7.084
  268    HG2  GLU  34           HG2      GLU  34  18.863  25.623  -8.940
  269    HG3  GLU  34           HG3      GLU  34  17.849  26.490  -7.783
  270    H    ALA  35           H        ALA  35  19.016  21.793  -8.329
  271    HA   ALA  35           HA       ALA  35  18.900  22.348 -11.140
  272    HB1  ALA  35           HB1      ALA  35  19.538  19.738  -9.692
  273    HB2  ALA  35           HB2      ALA  35  19.935  20.137 -11.380
  274    HB3  ALA  35           HB3      ALA  35  20.693  21.041 -10.056
  275    H    MET  36           H        MET  36  16.850  20.245  -9.064
  276    HA   MET  36           HA       MET  36  15.213  19.249 -11.264
  277    HB2  MET  36           HB2      MET  36  14.791  19.451  -8.255
  278    HB3  MET  36           HB3      MET  36  13.606  18.735  -9.346
  279    HG2  MET  36           HG2      MET  36  16.498  17.798  -9.244
  280    HG3  MET  36           HG3      MET  36  15.264  17.150  -8.182
  281    HE1  MET  36           HE1      MET  36  13.010  14.961 -10.286
  282    HE2  MET  36           HE2      MET  36  13.613  15.386  -8.672
  283    HE3  MET  36           HE3      MET  36  12.682  16.567  -9.615
  284    H    GLU  37           H        GLU  37  14.770  22.104  -9.050
  285    HA   GLU  37           HA       GLU  37  12.317  22.948 -10.304
  286    HB2  GLU  37           HB2      GLU  37  14.458  24.515  -8.809
  287    HB3  GLU  37           HB3      GLU  37  12.928  25.204  -9.377
  288    HG2  GLU  37           HG2      GLU  37  11.706  23.450  -8.057
  289    HG3  GLU  37           HG3      GLU  37  13.238  22.972  -7.334
  290    H    SER  38           H        SER  38  15.729  23.675 -11.096
  291    HA   SER  38           HA       SER  38  15.238  25.571 -13.173
  292    HB2  SER  38           HB2      SER  38  17.411  25.159 -12.013
  293    HB3  SER  38           HB3      SER  38  17.542  23.606 -12.847
  294    HG   SER  38           HG       SER  38  17.495  26.221 -14.017
  295    H    THR  39           H        THR  39  15.033  22.049 -13.217
  296    HA   THR  39           HA       THR  39  14.878  22.025 -16.205
  297    HB   THR  39           HB       THR  39  15.482  19.644 -16.030
  298    HG1  THR  39           HG1      THR  39  16.153  20.137 -13.344
  299   HG21  THR  39          HG21      THR  39  17.261  21.317 -16.332
  300   HG22  THR  39          HG22      THR  39  17.394  21.534 -14.579
  301   HG23  THR  39          HG23      THR  39  17.826  19.983 -15.305
  302    H    GLY  40           H        GLY  40  12.678  22.108 -13.756
  303    HA2  GLY  40           HA2      GLY  40  10.393  21.754 -13.854
  304    HA3  GLY  40           HA3      GLY  40  10.562  21.072 -15.476
  305    H    GLY  41           H        GLY  41  12.419  19.780 -12.770
  306    HA2  GLY  41           HA2      GLY  41  12.127  17.956 -11.416
  307    HA3  GLY  41           HA3      GLY  41  10.490  17.738 -12.040
  308    H    ARG  42           H        ARG  42  12.848  17.721 -14.599
  309    HA   ARG  42           HA       ARG  42  12.553  14.769 -14.918
  310    HB2  ARG  42           HB2      ARG  42  13.814  16.940 -16.632
  311    HB3  ARG  42           HB3      ARG  42  14.095  15.218 -16.888
  312    HG2  ARG  42           HG2      ARG  42  11.439  15.048 -16.825
  313    HG3  ARG  42           HG3      ARG  42  11.531  16.768 -17.248
  314    HD2  ARG  42           HD2      ARG  42  13.021  16.154 -19.181
  315    HD3  ARG  42           HD3      ARG  42  12.952  14.473 -18.660
  316    HE   ARG  42           HE       ARG  42  10.812  14.240 -19.540
  317   HH11  ARG  42          HH22      ARG  42  11.568  17.672 -19.690
  318   HH12  ARG  42          HH21      ARG  42  10.203  18.013 -20.711
  319   HH21  ARG  42          HH12      ARG  42   9.082  14.761 -20.819
  320   HH22  ARG  42          HH11      ARG  42   8.833  16.406 -21.325
  321    H    VAL  43           H        VAL  43  13.785  13.537 -13.614
  322    HA   VAL  43           HA       VAL  43  16.103  14.438 -12.274
  323    HB   VAL  43           HB       VAL  43  15.255  11.593 -12.908
  324   HG11  VAL  43          HG11      VAL  43  17.640  11.555 -12.243
  325   HG12  VAL  43          HG12      VAL  43  17.290  12.619 -10.864
  326   HG13  VAL  43          HG13      VAL  43  16.637  10.962 -10.921
  327   HG21  VAL  43          HG21      VAL  43  14.326  11.635 -10.671
  328   HG22  VAL  43          HG22      VAL  43  14.974  13.272 -10.374
  329   HG23  VAL  43          HG23      VAL  43  13.667  13.029 -11.545
  330    H    ARG  44           H        ARG  44  15.962  12.747 -15.473
  331    HA   ARG  44           HA       ARG  44  18.776  12.396 -15.712
  332    HB2  ARG  44           HB2      ARG  44  18.382  12.030 -18.060
  333    HB3  ARG  44           HB3      ARG  44  17.200  11.192 -17.073
  334    HG2  ARG  44           HG2      ARG  44  15.470  12.951 -17.681
  335    HG3  ARG  44           HG3      ARG  44  16.699  13.758 -18.653
  336    HD2  ARG  44           HD2      ARG  44  15.333  12.458 -20.120
  337    HD3  ARG  44           HD3      ARG  44  16.955  11.747 -20.055
  338    HE   ARG  44           HE       ARG  44  15.146  10.508 -18.138
  339   HH11  ARG  44          HH21      ARG  44  15.870  10.452 -21.573
  340   HH12  ARG  44          HH22      ARG  44  15.290   8.824 -21.764
  341   HH21  ARG  44          HH12      ARG  44  14.454   8.416 -18.447
  342   HH22  ARG  44          HH11      ARG  44  14.501   7.708 -20.035
  343    H    ILE  45           H        ILE  45  16.805  15.225 -16.598
  344    HA   ILE  45           HA       ILE  45  19.114  16.632 -17.759
  345    HB   ILE  45           HB       ILE  45  16.438  17.836 -17.040
  346   HG12  ILE  45          HG12      ILE  45  15.867  15.994 -18.493
  347   HG13  ILE  45          HG13      ILE  45  15.715  17.490 -19.366
  348   HG21  ILE  45          HG21      ILE  45  17.020  19.453 -18.838
  349   HG22  ILE  45          HG22      ILE  45  18.254  19.451 -17.577
  350   HG23  ILE  45          HG23      ILE  45  18.564  18.620 -19.098
  351   HD11  ILE  45          HD11      ILE  45  17.806  17.061 -20.593
  352   HD12  ILE  45          HD12      ILE  45  18.080  15.579 -19.646
  353   HD13  ILE  45          HD13      ILE  45  16.697  15.697 -20.750
  354    H    ALA  46           H        ALA  46  17.346  16.621 -14.644
  355    HA   ALA  46           HA       ALA  46  18.743  18.765 -13.427
  356    HB1  ALA  46           HB1      ALA  46  17.600  16.250 -12.134
  357    HB2  ALA  46           HB2      ALA  46  17.956  17.790 -11.330
  358    HB3  ALA  46           HB3      ALA  46  16.671  17.703 -12.550
  359    H    ILE  47           H        ILE  47  19.544  15.187 -13.335
  360    HA   ILE  47           HA       ILE  47  22.010  15.703 -11.959
  361    HB   ILE  47           HB       ILE  47  22.648  13.450 -12.317
  362   HG12  ILE  47          HG12      ILE  47  20.327  13.198 -14.262
  363   HG13  ILE  47          HG13      ILE  47  22.042  13.090 -14.641
  364   HG21  ILE  47          HG21      ILE  47  20.956  14.105 -10.599
  365   HG22  ILE  47          HG22      ILE  47  19.673  13.554 -11.690
  366   HG23  ILE  47          HG23      ILE  47  20.877  12.402 -11.083
  367   HD11  ILE  47          HD11      ILE  47  21.140  10.865 -14.587
  368   HD12  ILE  47          HD12      ILE  47  22.194  11.055 -13.169
  369   HD13  ILE  47          HD13      ILE  47  20.421  11.114 -12.989
  370    H    ALA  48           H        ALA  48  21.281  15.518 -15.492
  371    HA   ALA  48           HA       ALA  48  23.934  15.787 -16.401
  372    HB1  ALA  48           HB1      ALA  48  21.348  16.966 -17.501
  373    HB2  ALA  48           HB2      ALA  48  22.870  16.805 -18.405
  374    HB3  ALA  48           HB3      ALA  48  22.002  15.359 -17.852
  375    H    LYS  49           H        LYS  49  21.686  18.500 -15.420
  376    HA   LYS  49           HA       LYS  49  23.757  20.523 -15.772
  377    HB2  LYS  49           HB2      LYS  49  21.109  20.570 -14.251
  378    HB3  LYS  49           HB3      LYS  49  22.197  21.953 -14.413
  379    HG2  LYS  49           HG2      LYS  49  22.039  21.666 -16.955
  380    HG3  LYS  49           HG3      LYS  49  20.766  20.485 -16.658
  381    HD2  LYS  49           HD2      LYS  49  19.649  22.515 -17.123
  382    HD3  LYS  49           HD3      LYS  49  19.521  22.314 -15.367
  383    HE2  LYS  49           HE2      LYS  49  21.399  23.903 -15.036
  384    HE3  LYS  49           HE3      LYS  49  21.606  24.041 -16.786
  385    HZ1  LYS  49           HZ1      LYS  49  20.292  25.892 -15.908
  386    HZ2  LYS  49           HZ2      LYS  49  19.356  25.013 -16.909
  387    HZ3  LYS  49           HZ3      LYS  49  19.157  24.900 -15.286
  388    H    LEU  50           H        LEU  50  22.670  18.656 -12.923
  389    HA   LEU  50           HA       LEU  50  24.229  20.003 -10.994
  390    HB2  LEU  50           HB2      LEU  50  22.302  18.372 -10.747
  391    HB3  LEU  50           HB3      LEU  50  23.437  17.063 -11.090
  392    HG   LEU  50           HG       LEU  50  24.640  17.567  -9.003
  393   HD11  LEU  50          HD11      LEU  50  24.287  19.948  -8.722
  394   HD12  LEU  50          HD12      LEU  50  22.513  19.752  -8.726
  395   HD13  LEU  50          HD13      LEU  50  23.474  19.146  -7.372
  396   HD21  LEU  50          HD21      LEU  50  22.729  15.979  -9.008
  397   HD22  LEU  50          HD22      LEU  50  22.779  16.865  -7.483
  398   HD23  LEU  50          HD23      LEU  50  21.598  17.315  -8.729
  399    H    LEU  51           H        LEU  51  25.131  17.275 -13.145
  400    HA   LEU  51           HA       LEU  51  27.872  17.115 -12.177
  401    HB2  LEU  51           HB2      LEU  51  26.434  16.119 -14.669
  402    HB3  LEU  51           HB3      LEU  51  28.137  15.806 -14.369
  403    HG   LEU  51           HG       LEU  51  25.951  14.963 -12.418
  404   HD11  LEU  51          HD11      LEU  51  27.307  13.328 -14.604
  405   HD12  LEU  51          HD12      LEU  51  26.169  12.714 -13.387
  406   HD13  LEU  51          HD13      LEU  51  25.610  13.872 -14.605
  407   HD21  LEU  51          HD21      LEU  51  28.192  15.054 -11.398
  408   HD22  LEU  51          HD22      LEU  51  27.713  13.365 -11.646
  409   HD23  LEU  51          HD23      LEU  51  28.865  14.126 -12.756
  410    H    SER  52           H        SER  52  26.368  18.745 -15.017
  411    HA   SER  52           HA       SER  52  28.901  19.543 -16.122
  412    HB2  SER  52           HB2      SER  52  26.119  20.622 -16.721
  413    HB3  SER  52           HB3      SER  52  27.574  20.885 -17.695
  414    HG   SER  52           HG       SER  52  26.155  18.476 -17.238
  415    H    LYS  53           H        LYS  53  26.724  21.180 -13.916
  416    HA   LYS  53           HA       LYS  53  26.622  23.127 -12.836
  417    HB2  LYS  53           HB2      LYS  53  29.645  22.976 -13.079
  418    HB3  LYS  53           HB3      LYS  53  28.795  24.181 -12.102
  419    HG2  LYS  53           HG2      LYS  53  27.720  22.478 -10.776
  420    HG3  LYS  53           HG3      LYS  53  28.397  21.182 -11.785
  421    HD2  LYS  53           HD2      LYS  53  30.680  21.828 -11.129
  422    HD3  LYS  53           HD3      LYS  53  30.032  23.133 -10.109
  423    HE2  LYS  53           HE2      LYS  53  28.788  21.437  -8.761
  424    HE3  LYS  53           HE3      LYS  53  29.460  20.149  -9.770
  425    HZ1  LYS  53           HZ1      LYS  53  31.063  21.995  -8.059
  426    HZ2  LYS  53           HZ2      LYS  53  30.760  20.428  -7.720
  427    HZ3  LYS  53           HZ3      LYS  53  31.697  20.820  -9.001
  428    H    GLN  54           H        GLN  54  29.005  23.812 -15.404
  429    HA   GLN  54           HA       GLN  54  28.020  26.572 -15.561
  430    HB2  GLN  54           HB2      GLN  54  30.255  25.156 -17.068
  431    HB3  GLN  54           HB3      GLN  54  29.867  26.875 -17.208
  432    HG2  GLN  54           HG2      GLN  54  30.313  27.171 -14.769
  433    HG3  GLN  54           HG3      GLN  54  30.791  25.476 -14.658
  434   HE21  GLN  54          HE22      GLN  54  32.726  24.775 -16.005
  435   HE22  GLN  54          HE21      GLN  54  33.945  25.995 -16.345
  436    H    THR  55           H        THR  55  27.385  27.585 -17.608
  437    HA   THR  55           HA       THR  55  25.588  25.908 -19.225
  438    HB   THR  55           HB       THR  55  24.984  28.097 -20.273
  439    HG1  THR  55           HG1      THR  55  25.812  29.969 -19.309
  440   HG21  THR  55          HG21      THR  55  24.895  28.103 -17.219
  441   HG22  THR  55          HG22      THR  55  23.828  29.008 -18.318
  442   HG23  THR  55          HG23      THR  55  23.764  27.241 -18.283
  443    H    SER  56           H        SER  56  28.826  27.099 -19.589
  444    HA   SER  56           HA       SER  56  28.968  27.262 -22.437
  445    HB2  SER  56           HB2      SER  56  31.202  26.694 -20.449
  446    HB3  SER  56           HB3      SER  56  31.390  27.255 -22.122
  447    HG   SER  56           HG       SER  56  31.479  29.007 -20.638
  448    H    GLY  57           H        GLY  57  30.033  25.897 -23.953
  449    HA2  GLY  57           HA2      GLY  57  30.772  23.934 -24.936
  450    HA3  GLY  57           HA3      GLY  57  30.952  23.231 -23.332
  451    H    GLY  58           H        GLY  58  30.190  21.242 -24.127
  452    HA2  GLY  58           HA2      GLY  58  28.550  19.597 -24.241
  453    HA3  GLY  58           HA3      GLY  58  27.286  20.816 -24.150
  454    H    SER  59           H        SER  59  26.712  18.882 -25.786
  455    HA   SER  59           HA       SER  59  27.756  19.013 -28.456
  456    HB2  SER  59           HB2      SER  59  25.136  17.839 -27.459
  457    HB3  SER  59           HB3      SER  59  25.889  17.527 -29.033
  458    HG   SER  59           HG       SER  59  26.394  15.884 -27.481
  459    H    GLY  60           H        GLY  60  26.953  19.867 -30.353
  460    HA2  GLY  60           HA2      GLY  60  24.455  21.038 -30.862
  461    HA3  GLY  60           HA3      GLY  60  25.482  22.335 -30.254
  462    H    GLY  61           H        GLY  61  24.672  22.886 -32.600
  463    HA2  GLY  61           HA2      GLY  61  25.443  23.745 -34.581
  464    HA3  GLY  61           HA3      GLY  61  27.020  23.055 -34.229
  465    H    SER  62           H        SER  62  26.450  20.321 -34.248
  466    HA   SER  62           HA       SER  62  25.858  19.820 -37.135
  467    HB2  SER  62           HB2      SER  62  27.644  18.304 -35.200
  468    HB3  SER  62           HB3      SER  62  27.352  17.873 -36.897
  469    HG   SER  62           HG       SER  62  29.280  19.119 -36.619
  470    H    LYS  63           H        LYS  63  24.742  18.034 -37.814
  471    HA   LYS  63           HA       LYS  63  22.843  16.799 -37.873
  472    HB2  LYS  63           HB2      LYS  63  24.590  15.190 -37.412
  473    HB3  LYS  63           HB3      LYS  63  24.387  15.373 -35.675
  474    HG2  LYS  63           HG2      LYS  63  23.413  13.285 -36.712
  475    HG3  LYS  63           HG3      LYS  63  22.337  14.189 -35.668
  476    HD2  LYS  63           HD2      LYS  63  21.206  15.170 -37.686
  477    HD3  LYS  63           HD3      LYS  63  22.327  14.263 -38.718
  478    HE2  LYS  63           HE2      LYS  63  20.311  13.018 -38.679
  479    HE3  LYS  63           HE3      LYS  63  21.448  12.129 -37.662
  480    HZ1  LYS  63           HZ1      LYS  63  19.223  12.341 -36.634
  481    HZ2  LYS  63           HZ2      LYS  63  20.339  13.092 -35.701
  482    HZ3  LYS  63           HZ3      LYS  63  19.319  13.970 -36.649
  483    H    LEU  64           H        LEU  64  21.848  18.854 -37.101
  484    HA   LEU  64           HA       LEU  64  20.305  18.521 -34.580
  485    HB2  LEU  64           HB2      LEU  64  20.398  20.870 -36.509
  486    HB3  LEU  64           HB3      LEU  64  19.618  20.837 -34.930
  487    HG   LEU  64           HG       LEU  64  22.624  20.624 -35.447
  488   HD11  LEU  64          HD11      LEU  64  22.720  22.856 -34.430
  489   HD12  LEU  64          HD12      LEU  64  21.697  22.865 -35.871
  490   HD13  LEU  64          HD13      LEU  64  20.950  22.873 -34.255
  491   HD21  LEU  64          HD21      LEU  64  22.052  19.398 -33.397
  492   HD22  LEU  64          HD22      LEU  64  22.855  20.915 -32.992
  493   HD23  LEU  64          HD23      LEU  64  21.091  20.777 -32.810
  494    H    GLY  65           H        GLY  65  18.281  17.773 -34.573
  495    HA2  GLY  65           HA2      GLY  65  16.229  16.975 -35.292
  496    HA3  GLY  65           HA3      GLY  65  16.345  18.051 -36.681
  497    H    GLY  66           H        GLY  66  15.440  16.452 -38.040
  498    HA2  GLY  66           HA2      GLY  66  15.684  15.041 -39.824
  499    HA3  GLY  66           HA3      GLY  66  17.396  14.879 -39.436
  500    H    SER  67           H        SER  67  15.390  13.934 -36.816
  501    HA   SER  67           HA       SER  67  15.268  11.064 -37.607
  502    HB2  SER  67           HB2      SER  67  16.603  12.106 -35.080
  503    HB3  SER  67           HB3      SER  67  16.233  10.405 -35.408
  504    HG   SER  67           HG       SER  67  17.651  10.449 -37.168
  505    H    GLY  68           H        GLY  68  13.777   9.814 -36.460
  506    HA2  GLY  68           HA2      GLY  68  11.937   9.331 -35.139
  507    HA3  GLY  68           HA3      GLY  68  12.062  10.899 -34.355
  508    H    GLY  69           H        GLY  69   9.616  10.131 -34.737
  509    HA2  GLY  69           HA2      GLY  69   8.465  10.785 -37.342
  510    HA3  GLY  69           HA3      GLY  69   7.610  10.284 -35.890
  511    H    SER  70           H        SER  70   9.304  12.790 -34.710
  512    HA   SER  70           HA       SER  70   8.719  14.841 -33.952
  513    HB2  SER  70           HB2      SER  70   8.027  15.319 -36.863
  514    HB3  SER  70           HB3      SER  70   8.369  16.563 -35.647
  515    HG   SER  70           HG       SER  70  10.233  16.039 -36.904
  516    H    ARG  71           H        ARG  71   6.607  12.965 -33.562
  517    HA   ARG  71           HA       ARG  71   4.044  14.315 -34.061
  518    HB2  ARG  71           HB2      ARG  71   4.674  11.871 -32.345
  519    HB3  ARG  71           HB3      ARG  71   3.061  12.441 -32.801
  520    HG2  ARG  71           HG2      ARG  71   3.661  12.065 -35.224
  521    HG3  ARG  71           HG3      ARG  71   5.200  11.375 -34.687
  522    HD2  ARG  71           HD2      ARG  71   3.805   9.523 -35.059
  523    HD3  ARG  71           HD3      ARG  71   3.873   9.693 -33.311
  524    HE   ARG  71           HE       ARG  71   1.597  10.485 -35.113
  525   HH11  ARG  71          HH11      ARG  71   2.526   9.766 -31.781
  526   HH12  ARG  71          HH12      ARG  71   0.860   9.511 -31.324
  527   HH21  ARG  71          HH21      ARG  71  -0.479  10.174 -34.371
  528   HH22  ARG  71          HH22      ARG  71  -0.735   9.715 -32.710
  529    H    LYS  72           H        LYS  72   2.562  14.962 -32.452
  530    HA   LYS  72           HA       LYS  72   3.717  16.101 -29.943
  531    HB2  LYS  72           HB2      LYS  72   1.042  16.581 -31.311
  532    HB3  LYS  72           HB3      LYS  72   1.583  17.355 -29.813
  533    HG2  LYS  72           HG2      LYS  72   3.522  18.343 -31.010
  534    HG3  LYS  72           HG3      LYS  72   2.938  17.630 -32.528
  535    HD2  LYS  72           HD2      LYS  72   0.828  18.938 -32.336
  536    HD3  LYS  72           HD3      LYS  72   1.373  19.588 -30.789
  537    HE2  LYS  72           HE2      LYS  72   1.755  21.287 -32.403
  538    HE3  LYS  72           HE3      LYS  72   3.332  20.654 -31.930
  539    HZ1  LYS  72           HZ1      LYS  72   3.369  19.370 -34.011
  540    HZ2  LYS  72           HZ2      LYS  72   1.872  19.900 -34.425
  541    HZ3  LYS  72           HZ3      LYS  72   3.123  20.942 -34.354
  542    H    ASP  73           H        ASP  73   2.873  13.184 -30.570
  543    HA   ASP  73           HA       ASP  73   1.553  12.558 -28.000
  544    HB2  ASP  73           HB2      ASP  73  -0.332  12.810 -29.477
  545    HB3  ASP  73           HB3      ASP  73   0.476  11.942 -30.776
  546    H    LEU  74           H        LEU  74   2.125  10.541 -27.206
  547    HA   LEU  74           HA       LEU  74   3.555   8.580 -28.806
  548    HB2  LEU  74           HB2      LEU  74   5.620   8.600 -27.720
  549    HB3  LEU  74           HB3      LEU  74   5.331  10.264 -28.173
  550    HG   LEU  74           HG       LEU  74   5.023   9.092 -25.364
  551   HD11  LEU  74          HD11      LEU  74   7.061  10.354 -24.862
  552   HD12  LEU  74          HD12      LEU  74   7.352   9.194 -26.165
  553   HD13  LEU  74          HD13      LEU  74   7.152  10.917 -26.547
  554   HD21  LEU  74          HD21      LEU  74   4.973  11.488 -24.624
  555   HD22  LEU  74          HD22      LEU  74   4.824  11.982 -26.325
  556   HD23  LEU  74          HD23      LEU  74   3.543  11.022 -25.535
  557    H    SER  75           H        SER  75   4.093   6.620 -27.584
  558    HA   SER  75           HA       SER  75   2.677   6.196 -25.015
  559    HB2  SER  75           HB2      SER  75   1.619   4.143 -25.841
  560    HB3  SER  75           HB3      SER  75   1.052   5.565 -26.727
  561    HG   SER  75           HG       SER  75   1.554   3.817 -28.143
  562    H    VAL  76           H        VAL  76   3.235   4.111 -24.005
  563    HA   VAL  76           HA       VAL  76   5.892   2.998 -24.737
  564    HB   VAL  76           HB       VAL  76   6.565   3.049 -22.326
  565   HG11  VAL  76          HG11      VAL  76   7.442   5.307 -22.381
  566   HG12  VAL  76          HG12      VAL  76   7.523   4.568 -23.991
  567   HG13  VAL  76          HG13      VAL  76   6.266   5.776 -23.632
  568   HG21  VAL  76          HG21      VAL  76   4.411   5.180 -22.008
  569   HG22  VAL  76          HG22      VAL  76   4.349   3.545 -21.301
  570   HG23  VAL  76          HG23      VAL  76   5.615   4.680 -20.807
  571    H    LYS  77           H        LYS  77   6.433   1.015 -23.731
  572    HA   LYS  77           HA       LYS  77   4.135  -0.817 -23.629
  573    HB2  LYS  77           HB2      LYS  77   7.137  -1.303 -23.454
  574    HB3  LYS  77           HB3      LYS  77   5.904  -2.570 -23.524
  575    HG2  LYS  77           HG2      LYS  77   5.123  -1.705 -25.723
  576    HG3  LYS  77           HG3      LYS  77   6.407  -0.480 -25.694
  577    HD2  LYS  77           HD2      LYS  77   8.122  -2.274 -25.599
  578    HD3  LYS  77           HD3      LYS  77   6.837  -3.504 -25.631
  579    HE2  LYS  77           HE2      LYS  77   6.063  -2.634 -27.831
  580    HE3  LYS  77           HE3      LYS  77   7.341  -1.414 -27.801
  581    HZ1  LYS  77           HZ1      LYS  77   8.005  -3.349 -29.114
  582    HZ2  LYS  77           HZ2      LYS  77   8.984  -3.221 -27.821
  583    HZ3  LYS  77           HZ3      LYS  77   7.804  -4.356 -27.847
  584    H    GLY  78           H        GLY  78   5.931   0.811 -21.226
  585    HA2  GLY  78           HA2      GLY  78   4.368  -0.311 -19.062
  586    HA3  GLY  78           HA3      GLY  78   6.059  -0.829 -18.997
  587    H    MET  79           H        MET  79   5.197   0.573 -16.905
  588    HA   MET  79           HA       MET  79   5.294   2.442 -15.622
  589    HB2  MET  79           HB2      MET  79   7.757   3.065 -17.289
  590    HB3  MET  79           HB3      MET  79   7.355   3.766 -15.716
  591    HG2  MET  79           HG2      MET  79   7.404   1.513 -14.693
  592    HG3  MET  79           HG3      MET  79   7.875   0.820 -16.249
  593    HE1  MET  79           HE1      MET  79   9.918  -0.379 -15.090
  594    HE2  MET  79           HE2      MET  79  11.122   0.462 -14.087
  595    HE3  MET  79           HE3      MET  79   9.441   0.323 -13.528
  596    H    LEU  80           H        LEU  80   3.410   2.664 -17.602
  597    HA   LEU  80           HA       LEU  80   3.521   5.108 -19.084
  598    HB2  LEU  80           HB2      LEU  80   2.181   3.116 -19.666
  599    HB3  LEU  80           HB3      LEU  80   1.173   3.365 -18.238
  600    HG   LEU  80           HG       LEU  80   0.297   5.471 -19.182
  601   HD11  LEU  80          HD11      LEU  80   0.744   6.060 -21.547
  602   HD12  LEU  80          HD12      LEU  80   2.216   6.187 -20.586
  603   HD13  LEU  80          HD13      LEU  80   1.970   4.773 -21.641
  604   HD21  LEU  80          HD21      LEU  80  -0.814   3.310 -19.665
  605   HD22  LEU  80          HD22      LEU  80  -1.015   4.468 -20.991
  606   HD23  LEU  80          HD23      LEU  80   0.158   3.139 -21.138
  607    H    TYR  81           H        TYR  81   2.555   4.486 -15.780
  608    HA   TYR  81           HA       TYR  81   1.695   7.322 -15.424
  609    HB2  TYR  81           HB2      TYR  81   0.448   4.898 -14.093
  610    HB3  TYR  81           HB3      TYR  81  -0.034   6.574 -13.887
  611    HD1  TYR  81           HD1      TYR  81  -0.753   7.855 -16.113
  612    HD2  TYR  81           HD2      TYR  81  -0.725   3.563 -15.636
  613    HE1  TYR  81           HE1      TYR  81  -2.396   7.635 -17.974
  614    HE2  TYR  81           HE2      TYR  81  -2.375   3.347 -17.483
  615    HH   TYR  81           HH       TYR  81  -3.662   4.451 -19.049
  616    H    ASP  82           H        ASP  82   1.946   8.197 -13.328
  617    HA   ASP  82           HA       ASP  82   3.328   8.877 -11.699
  618    HB2  ASP  82           HB2      ASP  82   1.761   7.384 -10.545
  619    HB3  ASP  82           HB3      ASP  82   2.908   6.053 -10.691
  620    H    SER  83           H        SER  83   4.938   8.830 -13.610
  621    HA   SER  83           HA       SER  83   7.111   7.113 -13.753
  622    HB2  SER  83           HB2      SER  83   7.149  10.114 -14.259
  623    HB3  SER  83           HB3      SER  83   8.249   8.904 -14.948
  624    HG   SER  83           HG       SER  83   6.542   9.451 -16.406
  625    H    ASP  84           H        ASP  84   9.278   7.150 -13.035
  626    HA   ASP  84           HA       ASP  84   9.619   7.619 -10.293
  627    HB2  ASP  84           HB2      ASP  84  11.861   6.937 -10.565
  628    HB3  ASP  84           HB3      ASP  84  10.884   5.991 -11.679
  629    H    SER  85           H        SER  85  10.372   9.864 -12.965
  630    HA   SER  85           HA       SER  85  11.946  11.683 -11.463
  631    HB2  SER  85           HB2      SER  85  10.242  11.962 -13.936
  632    HB3  SER  85           HB3      SER  85  10.863  13.407 -13.150
  633    HG   SER  85           HG       SER  85  12.364  11.233 -14.216
  634    H    GLN  86           H        GLN  86   8.323  11.588 -11.689
  635    HA   GLN  86           HA       GLN  86   8.149  13.912  -9.949
  636    HB2  GLN  86           HB2      GLN  86   5.837  13.715  -9.941
  637    HB3  GLN  86           HB3      GLN  86   6.411  13.491 -11.584
  638    HG2  GLN  86           HG2      GLN  86   5.913  11.102 -11.489
  639    HG3  GLN  86           HG3      GLN  86   5.579  11.189  -9.753
  640   HE21  GLN  86          HE22      GLN  86   3.406  10.414  -9.943
  641   HE22  GLN  86          HE21      GLN  86   2.164  11.437 -10.681
  642    H    GLN  87           H        GLN  87   8.192  10.399  -9.339
  643    HA   GLN  87           HA       GLN  87   7.571  10.542  -6.536
  644    HB2  GLN  87           HB2      GLN  87   9.385   8.610  -8.038
  645    HB3  GLN  87           HB3      GLN  87   8.807   8.396  -6.389
  646    HG2  GLN  87           HG2      GLN  87   6.467   8.296  -7.193
  647    HG3  GLN  87           HG3      GLN  87   7.016   8.513  -8.861
  648   HE21  GLN  87          HE22      GLN  87   5.492   6.264  -8.241
  649   HE22  GLN  87          HE21      GLN  87   6.546   4.850  -8.300
  650    H    ILE  88           H        ILE  88  10.741  10.660  -8.243
  651    HA   ILE  88           HA       ILE  88  12.355  11.160  -5.918
  652    HB   ILE  88           HB       ILE  88  12.737  11.771  -8.867
  653   HG12  ILE  88          HG12      ILE  88  12.637   9.335  -8.137
  654   HG13  ILE  88          HG13      ILE  88  14.064   9.839  -9.026
  655   HG21  ILE  88          HG21      ILE  88  14.710  12.147  -6.587
  656   HG22  ILE  88          HG22      ILE  88  15.212  11.987  -8.280
  657   HG23  ILE  88          HG23      ILE  88  14.189  13.340  -7.780
  658   HD11  ILE  88          HD11      ILE  88  15.422   9.787  -7.020
  659   HD12  ILE  88          HD12      ILE  88  13.990   9.524  -5.997
  660   HD13  ILE  88          HD13      ILE  88  14.515   8.276  -7.144
  661    H    LEU  89           H        LEU  89  10.760  13.497  -8.211
  662    HA   LEU  89           HA       LEU  89  11.665  15.817  -6.852
  663    HB2  LEU  89           HB2      LEU  89  10.558  15.834  -9.089
  664    HB3  LEU  89           HB3      LEU  89   9.055  15.298  -8.353
  665    HG   LEU  89           HG       LEU  89   8.865  17.427  -7.095
  666   HD11  LEU  89          HD11      LEU  89  11.340  18.274  -8.672
  667   HD12  LEU  89          HD12      LEU  89  10.317  19.338  -7.694
  668   HD13  LEU  89          HD13      LEU  89  11.254  18.068  -6.898
  669   HD21  LEU  89          HD21      LEU  89   7.820  17.184  -9.303
  670   HD22  LEU  89          HD22      LEU  89   8.339  18.846  -9.013
  671   HD23  LEU  89          HD23      LEU  89   9.299  17.799 -10.080
  672    H    ASN  90           H        ASN  90   8.603  13.960  -6.244
  673    HA   ASN  90           HA       ASN  90   7.689  15.576  -4.123
  674    HB2  ASN  90           HB2      ASN  90   6.216  13.947  -5.068
  675    HB3  ASN  90           HB3      ASN  90   7.355  12.625  -4.785
  676   HD21  ASN  90          HD22      ASN  90   5.688  15.176  -2.798
  677   HD22  ASN  90          HD21      ASN  90   5.469  14.112  -1.433
  678    H    ARG  91           H        ARG  91   9.771  12.584  -3.808
  679    HA   ARG  91           HA       ARG  91  10.031  13.029  -0.967
  680    HB2  ARG  91           HB2      ARG  91  10.262  10.791  -1.882
  681    HB3  ARG  91           HB3      ARG  91  11.632  11.285  -2.872
  682    HG2  ARG  91           HG2      ARG  91  12.382  10.001  -0.917
  683    HG3  ARG  91           HG3      ARG  91  13.012  11.646  -0.864
  684    HD2  ARG  91           HD2      ARG  91  11.138  12.226   0.751
  685    HD3  ARG  91           HD3      ARG  91  10.752  10.494   0.802
  686    HE   ARG  91           HE       ARG  91  13.556  10.805   1.314
  687   HH11  ARG  91          HH11      ARG  91  10.573  11.599   2.999
  688   HH12  ARG  91          HH12      ARG  91  11.363  11.572   4.552
  689   HH21  ARG  91          HH21      ARG  91  14.449  10.728   3.211
  690   HH22  ARG  91          HH22      ARG  91  13.550  11.076   4.684
  691    H    LEU  92           H        LEU  92  12.091  14.168  -3.699
  692    HA   LEU  92           HA       LEU  92  14.160  15.132  -1.921
  693    HB2  LEU  92           HB2      LEU  92  14.448  14.674  -4.371
  694    HB3  LEU  92           HB3      LEU  92  13.396  16.044  -4.731
  695    HG   LEU  92           HG       LEU  92  15.083  17.552  -3.564
  696   HD11  LEU  92          HD11      LEU  92  17.374  16.696  -3.273
  697   HD12  LEU  92          HD12      LEU  92  16.265  15.858  -2.180
  698   HD13  LEU  92          HD13      LEU  92  16.827  15.057  -3.670
  699   HD21  LEU  92          HD21      LEU  92  16.708  17.431  -5.445
  700   HD22  LEU  92          HD22      LEU  92  16.016  15.879  -5.931
  701   HD23  LEU  92          HD23      LEU  92  15.021  17.356  -5.980
  702    H    ARG  93           H        ARG  93  11.197  16.682  -3.275
  703    HA   ARG  93           HA       ARG  93  11.828  19.287  -2.180
  704    HB2  ARG  93           HB2      ARG  93  10.359  18.777  -4.160
  705    HB3  ARG  93           HB3      ARG  93   9.120  18.166  -3.058
  706    HG2  ARG  93           HG2      ARG  93   8.873  20.387  -2.042
  707    HG3  ARG  93           HG3      ARG  93  10.291  20.989  -2.926
  708    HD2  ARG  93           HD2      ARG  93   9.070  20.530  -5.097
  709    HD3  ARG  93           HD3      ARG  93   7.658  20.066  -4.166
  710    HE   ARG  93           HE       ARG  93   7.254  22.312  -3.589
  711   HH11  ARG  93          HH11      ARG  93  10.274  22.198  -5.388
  712   HH12  ARG  93          HH12      ARG  93  10.355  23.943  -5.510
  713   HH21  ARG  93          HH21      ARG  93   7.408  24.463  -3.797
  714   HH22  ARG  93          HH22      ARG  93   8.747  25.185  -4.667
  715    H    GLU  94           H        GLU  94   9.879  16.537  -0.937
  716    HA   GLU  94           HA       GLU  94   9.197  17.864   1.533
  717    HB2  GLU  94           HB2      GLU  94   9.457  14.923   0.788
  718    HB3  GLU  94           HB3      GLU  94   8.888  15.494   2.370
  719    HG2  GLU  94           HG2      GLU  94   7.063  16.734   1.306
  720    HG3  GLU  94           HG3      GLU  94   7.616  16.252  -0.294
  721    H    ARG  95           H        ARG  95  11.944  15.632   0.757
  722    HA   ARG  95           HA       ARG  95  13.170  15.699   3.311
  723    HB2  ARG  95           HB2      ARG  95  13.632  14.029   1.626
  724    HB3  ARG  95           HB3      ARG  95  14.276  15.235   0.508
  725    HG2  ARG  95           HG2      ARG  95  16.245  15.569   1.833
  726    HG3  ARG  95           HG3      ARG  95  15.590  14.622   3.185
  727    HD2  ARG  95           HD2      ARG  95  15.720  12.588   1.984
  728    HD3  ARG  95           HD3      ARG  95  15.957  13.394   0.424
  729    HE   ARG  95           HE       ARG  95  18.165  14.227   1.804
  730   HH11  ARG  95          HH11      ARG  95  16.988  10.908   1.425
  731   HH12  ARG  95          HH12      ARG  95  18.625  10.314   1.323
  732   HH21  ARG  95          HH21      ARG  95  20.027  13.449   1.734
  733   HH22  ARG  95          HH22      ARG  95  20.392  11.724   1.506
  734    H    VAL  96           H        VAL  96  13.632  17.966   0.586
  735    HA   VAL  96           HA       VAL  96  15.726  19.426   2.084
  736    HB   VAL  96           HB       VAL  96  14.609  19.810  -0.711
  737   HG11  VAL  96          HG11      VAL  96  15.524  21.945   0.059
  738   HG12  VAL  96          HG12      VAL  96  16.988  21.133   0.662
  739   HG13  VAL  96          HG13      VAL  96  16.650  21.204  -1.077
  740   HG21  VAL  96          HG21      VAL  96  17.197  18.610   0.369
  741   HG22  VAL  96          HG22      VAL  96  15.902  17.706  -0.433
  742   HG23  VAL  96          HG23      VAL  96  16.848  18.876  -1.357
  743    H    SER  97           H        SER  97  12.360  20.049   1.025
  744    HA   SER  97           HA       SER  97  12.498  22.714   2.363
  745    HB2  SER  97           HB2      SER  97  10.824  21.925  -0.033
  746    HB3  SER  97           HB3      SER  97  11.010  23.538   0.676
  747    HG   SER  97           HG       SER  97  12.404  23.389  -1.076
  748    H    GLY  98           H        GLY  98  11.007  19.726   2.887
  749    HA2  GLY  98           HA2      GLY  98   9.373  19.201   4.443
  750    HA3  GLY  98           HA3      GLY  98   8.985  20.903   4.663
  751    H    SER  99           H        SER  99   6.915  19.190   4.644
  752    HA   SER  99           HA       SER  99   5.817  18.519   2.082
  753    HB2  SER  99           HB2      SER  99   3.736  18.081   3.387
  754    HB3  SER  99           HB3      SER  99   5.180  17.309   4.071
  755    HG   SER  99           HG       SER  99   3.904  18.363   5.683
  756    H    THR 100           H        THR 100   5.477  21.416   4.083
  757    HA   THR 100           HA       THR 100   3.220  22.576   2.775
  758    HB   THR 100           HB       THR 100   4.038  24.711   3.819
  759    HG1  THR 100           HG1      THR 100   5.864  24.543   5.166
  760   HG21  THR 100          HG21      THR 100   4.029  22.294   5.685
  761   HG22  THR 100          HG22      THR 100   3.719  23.984   6.136
  762   HG23  THR 100          HG23      THR 100   2.591  23.135   5.072
  763    H    ALA 101           H        ALA 101   6.545  22.423   1.702
  764    HA   ALA 101           HA       ALA 101   6.428  24.621  -0.154
  765    HB1  ALA 101           HB1      ALA 101   8.483  23.605  -1.054
  766    HB2  ALA 101           HB2      ALA 101   8.516  23.641   0.715
  767    HB3  ALA 101           HB3      ALA 101   8.171  22.116  -0.134
  768    H    GLN 102           H        GLN 102   4.663  21.729  -0.228
  769    HA   GLN 102           HA       GLN 102   4.466  21.650  -3.205
  770    HB2  GLN 102           HB2      GLN 102   3.428  19.719  -1.100
  771    HB3  GLN 102           HB3      GLN 102   3.371  19.493  -2.852
  772    HG2  GLN 102           HG2      GLN 102   5.841  19.526  -2.960
  773    HG3  GLN 102           HG3      GLN 102   5.940  19.723  -1.205
  774   HE21  GLN 102          HE22      GLN 102   4.497  17.929   0.010
  775   HE22  GLN 102          HE21      GLN 102   4.979  16.306  -0.496
  776    H    SER 103           H        SER 103   2.863  23.179  -0.644
  777    HA   SER 103           HA       SER 103   0.117  22.821  -1.455
  778    HB2  SER 103           HB2      SER 103   1.386  24.974   0.274
  779    HB3  SER 103           HB3      SER 103  -0.348  24.653   0.114
  780    HG   SER 103           HG       SER 103   0.451  23.593   1.953
  781    H    ALA 104           H        ALA 104  -1.306  24.295  -2.413
  782    HA   ALA 104           HA       ALA 104  -0.270  26.687  -3.815
  783    HB1  ALA 104           HB1      ALA 104  -0.023  24.835  -5.432
  784    HB2  ALA 104           HB2      ALA 104  -1.734  24.395  -5.204
  785    HB3  ALA 104           HB3      ALA 104  -1.303  25.955  -5.932
  Start of MODEL    9
    1    H1   SER   1           H1       SER   1  16.595 -18.193  -5.320
    2    H2   SER   1           H2       SER   1  15.221 -18.250  -6.211
    3    H3   SER   1           H3       SER   1  16.682 -18.243  -6.955
    4    HA   SER   1           HA       SER   1  15.531 -16.039  -5.369
    5    HB2  SER   1           HB2      SER   1  18.183 -16.085  -6.868
    6    HB3  SER   1           HB3      SER   1  17.497 -14.716  -5.970
    7    HG   SER   1           HG       SER   1  19.002 -15.905  -4.700
    8    H    VAL   2           H        VAL   2  14.997 -14.106  -6.572
    9    HA   VAL   2           HA       VAL   2  14.792 -14.286  -9.511
   10    HB   VAL   2           HB       VAL   2  12.732 -15.347  -8.615
   11   HG11  VAL   2          HG11      VAL   2  10.976 -14.044  -7.564
   12   HG12  VAL   2          HG12      VAL   2  12.422 -14.017  -6.547
   13   HG13  VAL   2          HG13      VAL   2  12.000 -12.597  -7.534
   14   HG21  VAL   2          HG21      VAL   2  12.740 -14.225 -10.823
   15   HG22  VAL   2          HG22      VAL   2  11.158 -14.224 -10.032
   16   HG23  VAL   2          HG23      VAL   2  12.121 -12.741 -10.048
   17    H    SER   3           H        SER   3  14.501 -12.248 -10.542
   18    HA   SER   3           HA       SER   3  15.640  -9.973  -9.156
   19    HB2  SER   3           HB2      SER   3  15.901 -10.534 -11.603
   20    HB3  SER   3           HB3      SER   3  14.233  -9.967 -11.842
   21    HG   SER   3           HG       SER   3  15.858  -8.316 -12.172
   22    H    ILE   4           H        ILE   4  14.661  -7.871  -8.929
   23    HA   ILE   4           HA       ILE   4  12.136  -8.033  -7.536
   24    HB   ILE   4           HB       ILE   4  12.375  -5.732  -6.995
   25   HG12  ILE   4          HG12      ILE   4  13.195  -4.680  -8.996
   26   HG13  ILE   4          HG13      ILE   4  14.208  -4.298  -7.623
   27   HG21  ILE   4          HG21      ILE   4  15.029  -7.186  -6.689
   28   HG22  ILE   4          HG22      ILE   4  14.447  -5.828  -5.711
   29   HG23  ILE   4          HG23      ILE   4  13.586  -7.375  -5.676
   30   HD11  ILE   4          HD11      ILE   4  15.626  -4.597  -9.520
   31   HD12  ILE   4          HD12      ILE   4  15.902  -5.992  -8.465
   32   HD13  ILE   4          HD13      ILE   4  14.901  -6.152  -9.929
   33    H    LEU   5           H        LEU   5  10.170  -7.120  -7.942
   34    HA   LEU   5           HA       LEU   5   9.548  -6.763 -10.833
   35    HB2  LEU   5           HB2      LEU   5   7.762  -7.507  -8.492
   36    HB3  LEU   5           HB3      LEU   5   7.287  -7.466 -10.187
   37    HG   LEU   5           HG       LEU   5   9.331  -9.373  -8.967
   38   HD11  LEU   5          HD11      LEU   5   7.644 -11.086  -9.418
   39   HD12  LEU   5          HD12      LEU   5   6.991  -9.841  -8.343
   40   HD13  LEU   5          HD13      LEU   5   6.531  -9.856 -10.059
   41   HD21  LEU   5          HD21      LEU   5   9.225 -10.536 -11.165
   42   HD22  LEU   5          HD22      LEU   5   8.263  -9.192 -11.820
   43   HD23  LEU   5          HD23      LEU   5   9.946  -8.933 -11.300
   44    H    ARG   6           H        ARG   6  10.001  -4.707  -8.269
   45    HA   ARG   6           HA       ARG   6   8.241  -2.584  -9.424
   46    HB2  ARG   6           HB2      ARG   6   8.644  -3.194  -6.456
   47    HB3  ARG   6           HB3      ARG   6   7.799  -1.788  -7.083
   48    HG2  ARG   6           HG2      ARG   6   6.910  -4.683  -7.447
   49    HG3  ARG   6           HG3      ARG   6   6.282  -3.554  -6.258
   50    HD2  ARG   6           HD2      ARG   6   6.064  -3.208  -9.278
   51    HD3  ARG   6           HD3      ARG   6   4.795  -3.820  -8.239
   52    HE   ARG   6           HE       ARG   6   5.616  -1.041  -8.599
   53   HH11  ARG   6          HH11      ARG   6   3.850  -3.155  -6.423
   54   HH12  ARG   6          HH12      ARG   6   2.946  -1.836  -5.734
   55   HH21  ARG   6          HH21      ARG   6   4.426   0.587  -7.680
   56   HH22  ARG   6          HH22      ARG   6   3.265   0.226  -6.438
   57    H    SER   7           H        SER   7   8.906  -0.466  -9.056
   58    HA   SER   7           HA       SER   7  11.640   0.065  -8.005
   59    HB2  SER   7           HB2      SER   7  10.565   1.118 -10.653
   60    HB3  SER   7           HB3      SER   7  12.078   1.618  -9.873
   61    HG   SER   7           HG       SER   7  12.408  -0.008 -11.492
   62    H    SER   8           H        SER   8  11.889   2.154  -7.123
   63    HA   SER   8           HA       SER   8  11.222   3.835  -5.757
   64    HB2  SER   8           HB2      SER   8   9.264   4.476  -7.990
   65    HB3  SER   8           HB3      SER   8   9.778   5.584  -6.707
   66    HG   SER   8           HG       SER   8  10.838   5.550  -8.906
   67    H    VAL   9           H        VAL   9  10.132   1.375  -5.070
   68    HA   VAL   9           HA       VAL   9   7.279   1.391  -4.931
   69    HB   VAL   9           HB       VAL   9   8.883  -0.579  -5.043
   70   HG11  VAL   9          HG11      VAL   9  10.243  -0.016  -2.997
   71   HG12  VAL   9          HG12      VAL   9   8.831  -0.421  -1.997
   72   HG13  VAL   9          HG13      VAL   9   9.590  -1.657  -3.011
   73   HG21  VAL   9          HG21      VAL   9   7.329  -2.106  -3.982
   74   HG22  VAL   9          HG22      VAL   9   6.587  -0.783  -3.062
   75   HG23  VAL   9          HG23      VAL   9   6.445  -0.828  -4.833
   76    H    ASN  10           H        ASN  10   9.626   2.549  -2.576
   77    HA   ASN  10           HA       ASN  10   7.465   3.655  -0.937
   78    HB2  ASN  10           HB2      ASN  10   8.171   2.622   1.150
   79    HB3  ASN  10           HB3      ASN  10   7.764   1.378  -0.009
   80   HD21  ASN  10          HD22      ASN  10   8.999  -0.048   1.481
   81   HD22  ASN  10          HD21      ASN  10  10.748  -0.065   1.325
   82    H    HIS  11           H        HIS  11   8.496   4.925   1.001
   83    HA   HIS  11           HA       HIS  11  10.137   6.960  -0.173
   84    HB2  HIS  11           HB2      HIS  11  10.111   7.961   2.070
   85    HB3  HIS  11           HB3      HIS  11   8.509   7.412   1.612
   86    HD2  HIS  11           HD2      HIS  11  11.192   6.928   4.253
   87    HE1  HIS  11           HE1      HIS  11   8.207   4.014   5.137
   88    HE2  HIS  11           HE2      HIS  11  10.316   5.152   5.994
   89    H    ARG  12           H        ARG  12  11.060   4.155   1.851
   90    HA   ARG  12           HA       ARG  12  13.744   5.060   2.378
   91    HB2  ARG  12           HB2      ARG  12  12.510   3.306   3.649
   92    HB3  ARG  12           HB3      ARG  12  12.642   2.214   2.266
   93    HG2  ARG  12           HG2      ARG  12  15.113   2.288   2.421
   94    HG3  ARG  12           HG3      ARG  12  15.013   3.410   3.784
   95    HD2  ARG  12           HD2      ARG  12  13.849   0.595   3.743
   96    HD3  ARG  12           HD3      ARG  12  15.435   1.018   4.415
   97    HE   ARG  12           HE       ARG  12  13.660   2.726   5.709
   98   HH11  ARG  12          HH11      ARG  12  14.052  -0.757   5.555
   99   HH12  ARG  12          HH12      ARG  12  13.367  -0.998   7.138
  100   HH21  ARG  12          HH21      ARG  12  12.786   2.343   7.724
  101   HH22  ARG  12          HH22      ARG  12  12.675   0.719   8.330
  102    H    GLU  13           H        GLU  13  12.416   3.026  -0.263
  103    HA   GLU  13           HA       GLU  13  14.951   2.599  -1.553
  104    HB2  GLU  13           HB2      GLU  13  12.916   1.223  -1.861
  105    HB3  GLU  13           HB3      GLU  13  12.130   2.561  -2.714
  106    HG2  GLU  13           HG2      GLU  13  13.764   2.454  -4.507
  107    HG3  GLU  13           HG3      GLU  13  14.767   1.315  -3.603
  108    H    VAL  14           H        VAL  14  12.440   5.160  -1.993
  109    HA   VAL  14           HA       VAL  14  13.951   6.463  -4.113
  110    HB   VAL  14           HB       VAL  14  11.672   7.535  -2.420
  111   HG11  VAL  14          HG11      VAL  14  12.967   8.576  -4.981
  112   HG12  VAL  14          HG12      VAL  14  11.409   9.149  -4.351
  113   HG13  VAL  14          HG13      VAL  14  12.890   9.413  -3.417
  114   HG21  VAL  14          HG21      VAL  14  10.320   7.054  -4.457
  115   HG22  VAL  14          HG22      VAL  14  11.754   6.352  -5.237
  116   HG23  VAL  14          HG23      VAL  14  11.033   5.572  -3.813
  117    H    ASP  15           H        ASP  15  13.935   6.848  -0.546
  118    HA   ASP  15           HA       ASP  15  15.664   9.151  -0.479
  119    HB2  ASP  15           HB2      ASP  15  14.385   8.435   1.460
  120    HB3  ASP  15           HB3      ASP  15  15.210   6.876   1.490
  121    H    GLU  16           H        GLU  16  16.383   5.598  -0.493
  122    HA   GLU  16           HA       GLU  16  19.235   5.848  -0.532
  123    HB2  GLU  16           HB2      GLU  16  18.147   3.740  -0.053
  124    HB3  GLU  16           HB3      GLU  16  17.380   3.711  -1.651
  125    HG2  GLU  16           HG2      GLU  16  19.552   3.493  -2.754
  126    HG3  GLU  16           HG3      GLU  16  20.389   3.680  -1.208
  127    H    ALA  17           H        ALA  17  16.864   5.802  -3.263
  128    HA   ALA  17           HA       ALA  17  18.833   5.994  -5.298
  129    HB1  ALA  17           HB1      ALA  17  15.945   6.993  -5.316
  130    HB2  ALA  17           HB2      ALA  17  16.959   6.684  -6.737
  131    HB3  ALA  17           HB3      ALA  17  16.479   5.336  -5.688
  132    H    ILE  18           H        ILE  18  17.074   8.579  -3.509
  133    HA   ILE  18           HA       ILE  18  18.287  10.818  -4.822
  134    HB   ILE  18           HB       ILE  18  16.919  10.388  -2.156
  135   HG12  ILE  18          HG12      ILE  18  16.184  12.150  -4.541
  136   HG13  ILE  18          HG13      ILE  18  15.692  10.469  -4.406
  137   HG21  ILE  18          HG21      ILE  18  18.139  13.024  -3.098
  138   HG22  ILE  18          HG22      ILE  18  16.976  12.862  -1.772
  139   HG23  ILE  18          HG23      ILE  18  18.559  12.120  -1.629
  140   HD11  ILE  18          HD11      ILE  18  14.499  10.995  -2.267
  141   HD12  ILE  18          HD12      ILE  18  14.877  12.712  -2.517
  142   HD13  ILE  18          HD13      ILE  18  13.866  11.856  -3.686
  143    H    ASP  19           H        ASP  19  19.337   9.039  -1.839
  144    HA   ASP  19           HA       ASP  19  21.689  10.605  -1.404
  145    HB2  ASP  19           HB2      ASP  19  20.740   9.188   0.313
  146    HB3  ASP  19           HB3      ASP  19  20.944   7.749  -0.686
  147    H    ASN  20           H        ASN  20  21.223   7.615  -3.384
  148    HA   ASN  20           HA       ASN  20  23.957   7.345  -4.161
  149    HB2  ASN  20           HB2      ASN  20  22.136   5.622  -4.403
  150    HB3  ASN  20           HB3      ASN  20  21.428   6.591  -5.694
  151   HD21  ASN  20          HD22      ASN  20  21.715   4.712  -7.114
  152   HD22  ASN  20          HD21      ASN  20  23.316   4.351  -7.742
  153    H    ILE  21           H        ILE  21  21.273   9.220  -5.666
  154    HA   ILE  21           HA       ILE  21  22.834  10.266  -7.862
  155    HB   ILE  21           HB       ILE  21  20.232  11.071  -6.521
  156   HG12  ILE  21          HG12      ILE  21  20.811  10.200  -9.389
  157   HG13  ILE  21          HG13      ILE  21  20.485   9.040  -8.103
  158   HG21  ILE  21          HG21      ILE  21  20.009  12.730  -8.485
  159   HG22  ILE  21          HG22      ILE  21  21.081  13.208  -7.180
  160   HG23  ILE  21          HG23      ILE  21  21.766  12.555  -8.685
  161   HD11  ILE  21          HD11      ILE  21  18.438   9.430  -9.314
  162   HD12  ILE  21          HD12      ILE  21  18.272  10.109  -7.684
  163   HD13  ILE  21          HD13      ILE  21  18.557  11.184  -9.076
  164    H    LEU  22           H        LEU  22  22.090  11.580  -4.608
  165    HA   LEU  22           HA       LEU  22  23.375  14.062  -4.825
  166    HB2  LEU  22           HB2      LEU  22  21.834  13.272  -3.034
  167    HB3  LEU  22           HB3      LEU  22  23.059  12.143  -2.473
  168    HG   LEU  22           HG       LEU  22  24.536  14.106  -1.933
  169   HD11  LEU  22          HD11      LEU  22  21.923  15.638  -2.433
  170   HD12  LEU  22          HD12      LEU  22  23.373  16.294  -1.649
  171   HD13  LEU  22          HD13      LEU  22  23.430  15.827  -3.351
  172   HD21  LEU  22          HD21      LEU  22  23.294  14.652   0.130
  173   HD22  LEU  22          HD22      LEU  22  21.821  13.924  -0.556
  174   HD23  LEU  22          HD23      LEU  22  23.248  12.919  -0.219
  175    H    ARG  23           H        ARG  23  24.780  10.913  -3.754
  176    HA   ARG  23           HA       ARG  23  27.483  11.971  -3.516
  177    HB2  ARG  23           HB2      ARG  23  26.333   9.161  -3.599
  178    HB3  ARG  23           HB3      ARG  23  28.065   9.501  -3.392
  179    HG2  ARG  23           HG2      ARG  23  27.583  10.862  -1.387
  180    HG3  ARG  23           HG3      ARG  23  25.857  10.481  -1.525
  181    HD2  ARG  23           HD2      ARG  23  28.084   8.428  -1.126
  182    HD3  ARG  23           HD3      ARG  23  27.087   9.112   0.154
  183    HE   ARG  23           HE       ARG  23  25.142   8.007  -0.663
  184   HH11  ARG  23          HH11      ARG  23  27.981   6.833  -2.404
  185   HH12  ARG  23          HH12      ARG  23  27.121   5.416  -2.934
  186   HH21  ARG  23          HH21      ARG  23  24.227   6.298  -1.241
  187   HH22  ARG  23          HH22      ARG  23  24.997   5.057  -2.241
  188    H    TYR  24           H        TYR  24  25.839  10.131  -6.154
  189    HA   TYR  24           HA       TYR  24  28.103   9.851  -7.843
  190    HB2  TYR  24           HB2      TYR  24  26.053   8.624  -8.187
  191    HB3  TYR  24           HB3      TYR  24  25.125  10.106  -8.391
  192    HD1  TYR  24           HD2      TYR  24  28.128   8.400  -9.928
  193    HD2  TYR  24           HD1      TYR  24  24.509  10.670 -10.562
  194    HE1  TYR  24           HE2      TYR  24  28.468   8.255 -12.391
  195    HE2  TYR  24           HE1      TYR  24  24.844  10.501 -13.028
  196    HH   TYR  24           HH       TYR  24  27.651   8.802 -14.475
  197    H    THR  25           H        THR  25  25.755  12.563  -7.637
  198    HA   THR  25           HA       THR  25  27.162  14.149  -9.674
  199    HB   THR  25           HB       THR  25  25.585  15.936  -9.042
  200    HG1  THR  25           HG1      THR  25  24.339  14.065  -7.330
  201   HG21  THR  25          HG21      THR  25  24.820  14.380 -10.735
  202   HG22  THR  25          HG22      THR  25  24.238  13.245  -9.497
  203   HG23  THR  25          HG23      THR  25  23.472  14.840  -9.670
  204    H    ASN  26           H        ASN  26  27.851  13.510  -6.431
  205    HA   ASN  26           HA       ASN  26  28.926  14.503  -4.758
  206    HB2  ASN  26           HB2      ASN  26  30.704  14.201  -6.539
  207    HB3  ASN  26           HB3      ASN  26  30.547  15.915  -6.909
  208   HD21  ASN  26          HD22      ASN  26  31.142  13.680  -4.124
  209   HD22  ASN  26          HD21      ASN  26  32.275  14.776  -3.339
  210    H    SER  27           H        SER  27  26.493  15.720  -5.323
  211    HA   SER  27           HA       SER  27  26.915  18.659  -5.032
  212    HB2  SER  27           HB2      SER  27  24.611  18.874  -5.743
  213    HB3  SER  27           HB3      SER  27  25.507  17.875  -6.892
  214    HG   SER  27           HG       SER  27  24.368  16.153  -6.313
  215    H    THR  28           H        THR  28  25.181  19.798  -3.714
  216    HA   THR  28           HA       THR  28  24.690  18.433  -1.093
  217    HB   THR  28           HB       THR  28  24.126  20.660  -0.237
  218    HG1  THR  28           HG1      THR  28  24.321  22.438  -1.499
  219   HG21  THR  28          HG21      THR  28  26.346  21.685  -0.271
  220   HG22  THR  28          HG22      THR  28  26.482  19.927  -0.066
  221   HG23  THR  28          HG23      THR  28  26.829  20.669  -1.644
  222    H    GLU  29           H        GLU  29  22.567  18.572  -0.143
  223    HA   GLU  29           HA       GLU  29  20.486  17.846  -1.911
  224    HB2  GLU  29           HB2      GLU  29  20.191  18.955   0.922
  225    HB3  GLU  29           HB3      GLU  29  19.044  17.977   0.018
  226    HG2  GLU  29           HG2      GLU  29  19.920  16.306   1.227
  227    HG3  GLU  29           HG3      GLU  29  21.081  16.254  -0.088
  228    H    GLN  30           H        GLN  30  21.268  21.085  -0.617
  229    HA   GLN  30           HA       GLN  30  18.912  22.392  -1.670
  230    HB2  GLN  30           HB2      GLN  30  21.670  23.475  -0.934
  231    HB3  GLN  30           HB3      GLN  30  20.262  24.469  -1.344
  232    HG2  GLN  30           HG2      GLN  30  19.006  23.465   0.564
  233    HG3  GLN  30           HG3      GLN  30  20.432  22.531   1.013
  234   HE21  GLN  30          HE21      GLN  30  19.632  23.955   3.065
  235   HE22  GLN  30          HE22      GLN  30  20.551  25.441   3.244
  236    H    GLN  31           H        GLN  31  22.184  21.763  -3.079
  237    HA   GLN  31           HA       GLN  31  21.606  23.204  -5.536
  238    HB2  GLN  31           HB2      GLN  31  23.682  21.118  -4.771
  239    HB3  GLN  31           HB3      GLN  31  23.556  21.790  -6.402
  240    HG2  GLN  31           HG2      GLN  31  23.911  24.064  -5.567
  241    HG3  GLN  31           HG3      GLN  31  23.973  23.485  -3.900
  242   HE21  GLN  31          HE22      GLN  31  25.811  22.113  -3.257
  243   HE22  GLN  31          HE21      GLN  31  27.316  22.224  -4.185
  244    H    PHE  32           H        PHE  32  21.183  19.749  -4.539
  245    HA   PHE  32           HA       PHE  32  20.242  18.957  -7.131
  246    HB2  PHE  32           HB2      PHE  32  21.136  17.414  -5.420
  247    HB3  PHE  32           HB3      PHE  32  19.721  17.717  -4.421
  248    HD1  PHE  32           HD1      PHE  32  19.120  17.345  -8.085
  249    HD2  PHE  32           HD2      PHE  32  19.524  15.237  -4.338
  250    HE1  PHE  32           HE1      PHE  32  17.939  15.413  -9.046
  251    HE2  PHE  32           HE2      PHE  32  18.366  13.285  -5.337
  252    HZ   PHE  32           HZ       PHE  32  17.528  13.383  -7.668
  253    H    LEU  33           H        LEU  33  18.447  20.159  -4.241
  254    HA   LEU  33           HA       LEU  33  15.853  20.108  -5.429
  255    HB2  LEU  33           HB2      LEU  33  16.330  20.426  -3.058
  256    HB3  LEU  33           HB3      LEU  33  17.079  21.981  -3.365
  257    HG   LEU  33           HG       LEU  33  14.828  22.049  -2.343
  258   HD11  LEU  33          HD11      LEU  33  15.715  23.997  -3.640
  259   HD12  LEU  33          HD12      LEU  33  14.755  23.448  -5.037
  260   HD13  LEU  33          HD13      LEU  33  13.954  23.906  -3.532
  261   HD21  LEU  33          HD21      LEU  33  13.786  20.179  -3.550
  262   HD22  LEU  33          HD22      LEU  33  12.821  21.663  -3.644
  263   HD23  LEU  33          HD23      LEU  33  13.774  21.139  -5.045
  264    H    GLU  34           H        GLU  34  18.289  22.740  -5.505
  265    HA   GLU  34           HA       GLU  34  16.768  24.453  -7.172
  266    HB2  GLU  34           HB2      GLU  34  18.766  25.114  -5.860
  267    HB3  GLU  34           HB3      GLU  34  19.797  24.206  -6.967
  268    HG2  GLU  34           HG2      GLU  34  19.137  25.679  -8.830
  269    HG3  GLU  34           HG3      GLU  34  17.993  26.523  -7.786
  270    H    ALA  35           H        ALA  35  19.083  21.891  -8.139
  271    HA   ALA  35           HA       ALA  35  18.845  22.346 -10.956
  272    HB1  ALA  35           HB1      ALA  35  19.878  20.118 -11.140
  273    HB2  ALA  35           HB2      ALA  35  20.689  21.087  -9.894
  274    HB3  ALA  35           HB3      ALA  35  19.552  19.810  -9.415
  275    H    MET  36           H        MET  36  16.921  20.229  -8.743
  276    HA   MET  36           HA       MET  36  15.266  19.127 -10.858
  277    HB2  MET  36           HB2      MET  36  14.954  19.373  -7.844
  278    HB3  MET  36           HB3      MET  36  13.732  18.610  -8.869
  279    HG2  MET  36           HG2      MET  36  16.644  17.756  -8.833
  280    HG3  MET  36           HG3      MET  36  15.425  17.025  -7.807
  281    HE1  MET  36           HE1      MET  36  13.288  14.860 -10.128
  282    HE2  MET  36           HE2      MET  36  13.937  15.073  -8.486
  283    HE3  MET  36           HE3      MET  36  12.924  16.339  -9.212
  284    H    GLU  37           H        GLU  37  14.777  21.986  -8.675
  285    HA   GLU  37           HA       GLU  37  12.219  22.661  -9.828
  286    HB2  GLU  37           HB2      GLU  37  14.311  24.261  -8.295
  287    HB3  GLU  37           HB3      GLU  37  12.775  24.951  -8.809
  288    HG2  GLU  37           HG2      GLU  37  13.094  22.530  -6.984
  289    HG3  GLU  37           HG3      GLU  37  12.771  24.181  -6.450
  290    H    SER  38           H        SER  38  15.557  23.677 -10.699
  291    HA   SER  38           HA       SER  38  14.767  25.538 -12.734
  292    HB2  SER  38           HB2      SER  38  16.956  25.482 -11.565
  293    HB3  SER  38           HB3      SER  38  17.361  23.982 -12.420
  294    HG   SER  38           HG       SER  38  18.195  25.940 -13.414
  295    H    THR  39           H        THR  39  15.153  22.019 -12.825
  296    HA   THR  39           HA       THR  39  14.897  22.001 -15.805
  297    HB   THR  39           HB       THR  39  15.396  19.596 -15.647
  298    HG1  THR  39           HG1      THR  39  16.067  20.046 -12.955
  299   HG21  THR  39          HG21      THR  39  17.415  21.402 -14.247
  300   HG22  THR  39          HG22      THR  39  17.755  19.801 -14.919
  301   HG23  THR  39          HG23      THR  39  17.261  21.132 -15.983
  302    H    GLY  40           H        GLY  40  12.734  22.032 -13.237
  303    HA2  GLY  40           HA2      GLY  40  10.462  21.644 -13.207
  304    HA3  GLY  40           HA3      GLY  40  10.522  21.118 -14.895
  305    H    GLY  41           H        GLY  41  12.543  19.596 -12.417
  306    HA2  GLY  41           HA2      GLY  41  12.328  17.628 -11.244
  307    HA3  GLY  41           HA3      GLY  41  10.704  17.379 -11.888
  308    H    ARG  42           H        ARG  42  12.964  17.858 -14.432
  309    HA   ARG  42           HA       ARG  42  12.897  14.994 -15.176
  310    HB2  ARG  42           HB2      ARG  42  13.808  17.586 -16.443
  311    HB3  ARG  42           HB3      ARG  42  14.530  16.098 -17.032
  312    HG2  ARG  42           HG2      ARG  42  11.513  16.383 -16.816
  313    HG3  ARG  42           HG3      ARG  42  12.414  16.961 -18.224
  314    HD2  ARG  42           HD2      ARG  42  13.360  14.657 -18.560
  315    HD3  ARG  42           HD3      ARG  42  12.441  14.090 -17.183
  316    HE   ARG  42           HE       ARG  42  10.490  14.073 -18.415
  317   HH11  ARG  42          HH21      ARG  42  12.866  15.748 -20.405
  318   HH12  ARG  42          HH22      ARG  42  11.853  15.655 -21.816
  319   HH21  ARG  42          HH12      ARG  42   9.291  13.979 -20.268
  320   HH22  ARG  42          HH11      ARG  42   9.893  14.686 -21.735
  321    H    VAL  43           H        VAL  43  13.950  13.979 -13.493
  322    HA   VAL  43           HA       VAL  43  16.287  14.846 -12.243
  323    HB   VAL  43           HB       VAL  43  14.743  13.148 -11.387
  324   HG11  VAL  43          HG11      VAL  43  16.210  11.122 -13.128
  325   HG12  VAL  43          HG12      VAL  43  14.963  10.798 -11.909
  326   HG13  VAL  43          HG13      VAL  43  14.534  11.671 -13.382
  327   HG21  VAL  43          HG21      VAL  43  16.943  13.523 -10.338
  328   HG22  VAL  43          HG22      VAL  43  16.385  11.850 -10.164
  329   HG23  VAL  43          HG23      VAL  43  17.647  12.243 -11.348
  330    H    ARG  44           H        ARG  44  16.179  12.844 -15.221
  331    HA   ARG  44           HA       ARG  44  18.988  12.404 -15.400
  332    HB2  ARG  44           HB2      ARG  44  18.636  11.862 -17.690
  333    HB3  ARG  44           HB3      ARG  44  17.324  11.212 -16.724
  334    HG2  ARG  44           HG2      ARG  44  15.872  13.156 -17.489
  335    HG3  ARG  44           HG3      ARG  44  17.188  13.660 -18.553
  336    HD2  ARG  44           HD2      ARG  44  15.815  10.948 -18.635
  337    HD3  ARG  44           HD3      ARG  44  15.427  12.315 -19.697
  338    HE   ARG  44           HE       ARG  44  18.149  11.962 -20.063
  339   HH11  ARG  44          HH11      ARG  44  15.363   9.890 -20.563
  340   HH12  ARG  44          HH12      ARG  44  16.156   8.976 -21.817
  341   HH21  ARG  44          HH21      ARG  44  19.105  10.745 -21.658
  342   HH22  ARG  44          HH22      ARG  44  18.213   9.467 -22.424
  343    H    ILE  45           H        ILE  45  17.120  15.276 -16.341
  344    HA   ILE  45           HA       ILE  45  19.456  16.595 -17.556
  345    HB   ILE  45           HB       ILE  45  16.778  17.824 -16.814
  346   HG12  ILE  45          HG12      ILE  45  17.734  16.663 -19.478
  347   HG13  ILE  45          HG13      ILE  45  16.481  15.973 -18.450
  348   HG21  ILE  45          HG21      ILE  45  17.459  19.637 -18.347
  349   HG22  ILE  45          HG22      ILE  45  18.733  19.443 -17.154
  350   HG23  ILE  45          HG23      ILE  45  18.945  18.769 -18.772
  351   HD11  ILE  45          HD11      ILE  45  15.110  18.059 -18.779
  352   HD12  ILE  45          HD12      ILE  45  16.301  18.572 -20.002
  353   HD13  ILE  45          HD13      ILE  45  15.380  17.082 -20.232
  354    H    ALA  46           H        ALA  46  17.775  16.592 -14.388
  355    HA   ALA  46           HA       ALA  46  19.266  18.736 -13.246
  356    HB1  ALA  46           HB1      ALA  46  18.441  17.865 -11.106
  357    HB2  ALA  46           HB2      ALA  46  17.151  17.794 -12.321
  358    HB3  ALA  46           HB3      ALA  46  18.024  16.318 -11.858
  359    H    ILE  47           H        ILE  47  19.928  15.152 -13.130
  360    HA   ILE  47           HA       ILE  47  22.445  15.552 -11.781
  361    HB   ILE  47           HB       ILE  47  22.940  13.253 -12.145
  362   HG12  ILE  47          HG12      ILE  47  20.585  13.146 -14.054
  363   HG13  ILE  47          HG13      ILE  47  22.286  12.943 -14.479
  364   HG21  ILE  47          HG21      ILE  47  21.122  12.312 -10.919
  365   HG22  ILE  47          HG22      ILE  47  21.235  14.015 -10.442
  366   HG23  ILE  47          HG23      ILE  47  19.961  13.495 -11.551
  367   HD11  ILE  47          HD11      ILE  47  22.346  10.889 -13.014
  368   HD12  ILE  47          HD12      ILE  47  20.581  11.046 -12.814
  369   HD13  ILE  47          HD13      ILE  47  21.272  10.777 -14.421
  370    H    ALA  48           H        ALA  48  21.651  15.289 -15.297
  371    HA   ALA  48           HA       ALA  48  24.305  15.540 -16.252
  372    HB1  ALA  48           HB1      ALA  48  23.188  16.464 -18.277
  373    HB2  ALA  48           HB2      ALA  48  22.362  15.018 -17.660
  374    HB3  ALA  48           HB3      ALA  48  21.677  16.627 -17.350
  375    H    LYS  49           H        LYS  49  22.032  18.161 -15.242
  376    HA   LYS  49           HA       LYS  49  23.774  20.329 -15.918
  377    HB2  LYS  49           HB2      LYS  49  21.227  20.333 -15.530
  378    HB3  LYS  49           HB3      LYS  49  21.558  20.248 -13.811
  379    HG2  LYS  49           HG2      LYS  49  21.113  22.529 -14.300
  380    HG3  LYS  49           HG3      LYS  49  22.845  22.428 -14.028
  381    HD2  LYS  49           HD2      LYS  49  22.444  23.887 -15.883
  382    HD3  LYS  49           HD3      LYS  49  23.195  22.421 -16.524
  383    HE2  LYS  49           HE2      LYS  49  20.971  21.590 -17.259
  384    HE3  LYS  49           HE3      LYS  49  20.195  23.019 -16.560
  385    HZ1  LYS  49           HZ1      LYS  49  22.161  23.074 -18.809
  386    HZ2  LYS  49           HZ2      LYS  49  20.552  23.309 -18.945
  387    HZ3  LYS  49           HZ3      LYS  49  21.460  24.399 -18.145
  388    H    LEU  50           H        LEU  50  23.330  18.536 -12.856
  389    HA   LEU  50           HA       LEU  50  25.228  20.106 -11.325
  390    HB2  LEU  50           HB2      LEU  50  24.177  17.258 -11.033
  391    HB3  LEU  50           HB3      LEU  50  25.214  18.037  -9.843
  392    HG   LEU  50           HG       LEU  50  22.514  19.190 -10.633
  393   HD11  LEU  50          HD11      LEU  50  23.218  17.332  -8.326
  394   HD12  LEU  50          HD12      LEU  50  21.671  18.174  -8.554
  395   HD13  LEU  50          HD13      LEU  50  22.168  16.952  -9.718
  396   HD21  LEU  50          HD21      LEU  50  24.326  19.650  -8.226
  397   HD22  LEU  50          HD22      LEU  50  24.026  20.800  -9.553
  398   HD23  LEU  50          HD23      LEU  50  22.710  20.348  -8.464
  399    H    LEU  51           H        LEU  51  25.635  17.144 -13.336
  400    HA   LEU  51           HA       LEU  51  28.461  16.878 -12.732
  401    HB2  LEU  51           HB2      LEU  51  26.671  15.790 -14.938
  402    HB3  LEU  51           HB3      LEU  51  28.372  15.378 -14.803
  403    HG   LEU  51           HG       LEU  51  26.383  14.856 -12.550
  404   HD11  LEU  51          HD11      LEU  51  27.377  12.969 -14.727
  405   HD12  LEU  51          HD12      LEU  51  26.384  12.520 -13.323
  406   HD13  LEU  51          HD13      LEU  51  25.720  13.596 -14.564
  407   HD21  LEU  51          HD21      LEU  51  28.711  14.887 -11.785
  408   HD22  LEU  51          HD22      LEU  51  28.102  13.229 -11.807
  409   HD23  LEU  51          HD23      LEU  51  29.179  13.789 -13.101
  410    H    SER  52           H        SER  52  26.676  18.681 -15.193
  411    HA   SER  52           HA       SER  52  29.102  19.485 -16.632
  412    HB2  SER  52           HB2      SER  52  26.231  20.366 -17.055
  413    HB3  SER  52           HB3      SER  52  27.594  20.643 -18.143
  414    HG   SER  52           HG       SER  52  26.373  18.178 -17.457
  415    H    LYS  53           H        LYS  53  28.573  20.408 -13.743
  416    HA   LYS  53           HA       LYS  53  28.274  23.300 -13.916
  417    HB2  LYS  53           HB2      LYS  53  27.513  21.798 -12.008
  418    HB3  LYS  53           HB3      LYS  53  29.208  21.666 -11.526
  419    HG2  LYS  53           HG2      LYS  53  29.185  24.273 -11.506
  420    HG3  LYS  53           HG3      LYS  53  27.425  24.133 -11.649
  421    HD2  LYS  53           HD2      LYS  53  27.351  22.850  -9.526
  422    HD3  LYS  53           HD3      LYS  53  29.123  22.935  -9.417
  423    HE2  LYS  53           HE2      LYS  53  28.950  25.455  -9.463
  424    HE3  LYS  53           HE3      LYS  53  27.186  25.300  -9.386
  425    HZ1  LYS  53           HZ1      LYS  53  29.098  24.323  -7.310
  426    HZ2  LYS  53           HZ2      LYS  53  28.144  25.643  -7.179
  427    HZ3  LYS  53           HZ3      LYS  53  27.463  24.154  -7.219
  428    H    GLN  54           H        GLN  54  29.938  23.486 -15.569
  429    HA   GLN  54           HA       GLN  54  32.593  24.207 -14.439
  430    HB2  GLN  54           HB2      GLN  54  33.790  23.014 -16.173
  431    HB3  GLN  54           HB3      GLN  54  32.773  21.892 -15.276
  432    HG2  GLN  54           HG2      GLN  54  31.080  21.990 -17.137
  433    HG3  GLN  54           HG3      GLN  54  32.174  23.045 -18.042
  434   HE21  GLN  54          HE22      GLN  54  34.376  22.099 -18.644
  435   HE22  GLN  54          HE21      GLN  54  34.449  20.357 -18.865
  436    H    THR  55           H        THR  55  33.963  25.300 -16.250
  437    HA   THR  55           HA       THR  55  32.278  27.050 -17.991
  438    HB   THR  55           HB       THR  55  32.790  28.342 -16.014
  439    HG1  THR  55           HG1      THR  55  33.532  30.070 -17.117
  440   HG21  THR  55          HG21      THR  55  34.902  27.294 -15.251
  441   HG22  THR  55          HG22      THR  55  35.746  27.945 -16.676
  442   HG23  THR  55          HG23      THR  55  35.073  29.041 -15.448
  443    H    SER  56           H        SER  56  33.223  27.864 -19.851
  444    HA   SER  56           HA       SER  56  35.504  26.355 -20.987
  445    HB2  SER  56           HB2      SER  56  34.853  27.542 -23.074
  446    HB3  SER  56           HB3      SER  56  33.546  26.573 -22.363
  447    HG   SER  56           HG       SER  56  32.697  28.582 -22.892
  448    H    GLY  57           H        GLY  57  35.140  29.179 -19.162
  449    HA2  GLY  57           HA2      GLY  57  36.932  31.002 -20.455
  450    HA3  GLY  57           HA3      GLY  57  36.356  31.073 -18.791
  451    H    GLY  58           H        GLY  58  38.357  28.505 -20.286
  452    HA2  GLY  58           HA2      GLY  58  40.202  28.409 -18.074
  453    HA3  GLY  58           HA3      GLY  58  40.318  27.521 -19.592
  454    H    SER  59           H        SER  59  40.195  30.527 -20.756
  455    HA   SER  59           HA       SER  59  43.144  30.982 -20.645
  456    HB2  SER  59           HB2      SER  59  41.216  31.657 -22.889
  457    HB3  SER  59           HB3      SER  59  42.970  31.902 -22.897
  458    HG   SER  59           HG       SER  59  43.245  29.644 -22.789
  459    H    GLY  60           H        GLY  60  41.334  32.063 -18.657
  460    HA2  GLY  60           HA2      GLY  60  41.208  34.003 -17.418
  461    HA3  GLY  60           HA3      GLY  60  42.439  34.683 -18.472
  462    H    GLY  61           H        GLY  61  41.862  36.313 -19.804
  463    HA2  GLY  61           HA2      GLY  61  39.182  37.424 -19.882
  464    HA3  GLY  61           HA3      GLY  61  40.592  37.967 -20.793
  465    H    SER  62           H        SER  62  40.500  34.820 -21.603
  466    HA   SER  62           HA       SER  62  38.433  35.040 -23.754
  467    HB2  SER  62           HB2      SER  62  40.769  35.456 -24.577
  468    HB3  SER  62           HB3      SER  62  41.182  33.798 -24.096
  469    HG   SER  62           HG       SER  62  40.507  34.022 -26.333
  470    H    LYS  63           H        LYS  63  38.024  32.837 -24.744
  471    HA   LYS  63           HA       LYS  63  37.866  30.696 -22.674
  472    HB2  LYS  63           HB2      LYS  63  35.520  30.369 -22.975
  473    HB3  LYS  63           HB3      LYS  63  35.818  32.045 -22.580
  474    HG2  LYS  63           HG2      LYS  63  34.273  32.336 -24.218
  475    HG3  LYS  63           HG3      LYS  63  35.725  32.406 -25.217
  476    HD2  LYS  63           HD2      LYS  63  35.361  29.976 -25.819
  477    HD3  LYS  63           HD3      LYS  63  33.964  29.950 -24.748
  478    HE2  LYS  63           HE2      LYS  63  33.015  30.207 -26.853
  479    HE3  LYS  63           HE3      LYS  63  32.979  31.839 -26.174
  480    HZ1  LYS  63           HZ1      LYS  63  34.944  30.782 -28.157
  481    HZ2  LYS  63           HZ2      LYS  63  33.771  31.913 -28.438
  482    HZ3  LYS  63           HZ3      LYS  63  35.048  32.287 -27.494
  483    H    LEU  64           H        LEU  64  37.412  28.610 -23.389
  484    HA   LEU  64           HA       LEU  64  38.887  27.922 -25.817
  485    HB2  LEU  64           HB2      LEU  64  37.522  26.209 -23.702
  486    HB3  LEU  64           HB3      LEU  64  38.582  25.600 -24.966
  487    HG   LEU  64           HG       LEU  64  39.443  27.525 -22.747
  488   HD11  LEU  64          HD11      LEU  64  39.963  24.547 -23.103
  489   HD12  LEU  64          HD12      LEU  64  40.623  25.586 -21.819
  490   HD13  LEU  64          HD13      LEU  64  38.882  25.283 -21.899
  491   HD21  LEU  64          HD21      LEU  64  40.857  27.804 -24.732
  492   HD22  LEU  64          HD22      LEU  64  41.741  26.937 -23.482
  493   HD23  LEU  64          HD23      LEU  64  41.070  26.039 -24.861
  494    H    GLY  65           H        GLY  65  38.141  27.113 -27.698
  495    HA2  GLY  65           HA2      GLY  65  36.744  26.242 -29.305
  496    HA3  GLY  65           HA3      GLY  65  35.567  25.861 -28.057
  497    H    GLY  66           H        GLY  66  34.297  26.422 -30.096
  498    HA2  GLY  66           HA2      GLY  66  33.915  29.140 -30.938
  499    HA3  GLY  66           HA3      GLY  66  32.854  27.780 -31.280
  500    H    SER  67           H        SER  67  32.075  30.479 -30.705
  501    HA   SER  67           HA       SER  67  31.042  30.644 -27.975
  502    HB2  SER  67           HB2      SER  67  30.558  32.421 -30.385
  503    HB3  SER  67           HB3      SER  67  30.107  32.782 -28.705
  504    HG   SER  67           HG       SER  67  32.139  33.720 -29.322
  505    H    GLY  68           H        GLY  68  28.945  30.552 -27.269
  506    HA2  GLY  68           HA2      GLY  68  27.116  28.788 -28.692
  507    HA3  GLY  68           HA3      GLY  68  26.887  29.495 -27.099
  508    H    GLY  69           H        GLY  69  24.731  29.283 -28.606
  509    HA2  GLY  69           HA2      GLY  69  23.634  31.902 -28.701
  510    HA3  GLY  69           HA3      GLY  69  23.982  31.393 -30.357
  511    H    SER  70           H        SER  70  21.409  31.949 -29.568
  512    HA   SER  70           HA       SER  70  20.026  29.406 -30.075
  513    HB2  SER  70           HB2      SER  70  20.193  29.553 -27.572
  514    HB3  SER  70           HB3      SER  70  19.276  31.071 -27.639
  515    HG   SER  70           HG       SER  70  17.938  29.206 -27.262
  516    H    ARG  71           H        ARG  71  17.759  29.709 -30.602
  517    HA   ARG  71           HA       ARG  71  17.288  32.016 -32.319
  518    HB2  ARG  71           HB2      ARG  71  16.613  29.644 -32.779
  519    HB3  ARG  71           HB3      ARG  71  15.399  29.764 -31.499
  520    HG2  ARG  71           HG2      ARG  71  14.240  31.559 -32.739
  521    HG3  ARG  71           HG3      ARG  71  15.496  31.540 -33.986
  522    HD2  ARG  71           HD2      ARG  71  13.662  29.207 -33.276
  523    HD3  ARG  71           HD3      ARG  71  13.384  30.314 -34.610
  524    HE   ARG  71           HE       ARG  71  15.325  28.119 -34.479
  525   HH11  ARG  71          HH11      ARG  71  14.512  31.024 -36.279
  526   HH12  ARG  71          HH12      ARG  71  15.424  30.519 -37.674
  527   HH21  ARG  71          HH21      ARG  71  16.475  27.549 -36.286
  528   HH22  ARG  71          HH22      ARG  71  16.502  28.598 -37.673
  529    H    LYS  72           H        LYS  72  16.378  31.224 -29.048
  530    HA   LYS  72           HA       LYS  72  15.055  33.861 -28.719
  531    HB2  LYS  72           HB2      LYS  72  13.335  32.011 -29.172
  532    HB3  LYS  72           HB3      LYS  72  13.860  31.255 -27.676
  533    HG2  LYS  72           HG2      LYS  72  11.847  32.435 -27.248
  534    HG3  LYS  72           HG3      LYS  72  13.131  33.324 -26.432
  535    HD2  LYS  72           HD2      LYS  72  13.166  34.984 -28.288
  536    HD3  LYS  72           HD3      LYS  72  11.918  34.081 -29.141
  537    HE2  LYS  72           HE2      LYS  72  11.583  35.319 -26.361
  538    HE3  LYS  72           HE3      LYS  72  11.149  36.129 -27.865
  539    HZ1  LYS  72           HZ1      LYS  72   9.554  34.329 -28.318
  540    HZ2  LYS  72           HZ2      LYS  72   9.911  33.601 -26.893
  541    HZ3  LYS  72           HZ3      LYS  72   9.210  35.070 -26.910
  542    H    ASP  73           H        ASP  73  15.249  34.765 -26.657
  543    HA   ASP  73           HA       ASP  73  17.628  34.017 -25.254
  544    HB2  ASP  73           HB2      ASP  73  16.769  36.328 -25.614
  545    HB3  ASP  73           HB3      ASP  73  15.461  35.998 -24.472
  546    H    LEU  74           H        LEU  74  14.277  33.227 -24.631
  547    HA   LEU  74           HA       LEU  74  15.005  31.673 -22.198
  548    HB2  LEU  74           HB2      LEU  74  12.629  33.554 -22.523
  549    HB3  LEU  74           HB3      LEU  74  12.779  32.385 -21.219
  550    HG   LEU  74           HG       LEU  74  14.715  34.698 -21.680
  551   HD11  LEU  74          HD11      LEU  74  13.621  35.716 -19.726
  552   HD12  LEU  74          HD12      LEU  74  12.464  35.472 -21.043
  553   HD13  LEU  74          HD13      LEU  74  12.465  34.366 -19.649
  554   HD21  LEU  74          HD21      LEU  74  14.395  32.756 -19.339
  555   HD22  LEU  74          HD22      LEU  74  15.779  32.836 -20.452
  556   HD23  LEU  74          HD23      LEU  74  15.455  34.182 -19.362
  557    H    SER  75           H        SER  75  13.577  29.939 -21.705
  558    HA   SER  75           HA       SER  75  11.517  29.138 -23.639
  559    HB2  SER  75           HB2      SER  75  13.712  28.225 -24.517
  560    HB3  SER  75           HB3      SER  75  13.819  27.244 -23.042
  561    HG   SER  75           HG       SER  75  12.812  26.131 -24.827
  562    H    VAL  76           H        VAL  76  10.342  27.181 -22.875
  563    HA   VAL  76           HA       VAL  76   9.734  27.504 -20.016
  564    HB   VAL  76           HB       VAL  76   7.787  26.079 -20.441
  565   HG11  VAL  76          HG11      VAL  76   6.551  27.655 -21.811
  566   HG12  VAL  76          HG12      VAL  76   7.663  28.518 -20.738
  567   HG13  VAL  76          HG13      VAL  76   8.055  28.337 -22.463
  568   HG21  VAL  76          HG21      VAL  76   8.656  24.631 -22.240
  569   HG22  VAL  76          HG22      VAL  76   7.143  25.418 -22.703
  570   HG23  VAL  76          HG23      VAL  76   8.682  26.016 -23.357
  571    H    LYS  77           H        LYS  77   9.293  25.719 -18.604
  572    HA   LYS  77           HA       LYS  77  11.380  23.608 -18.685
  573    HB2  LYS  77           HB2      LYS  77   9.366  24.346 -16.519
  574    HB3  LYS  77           HB3      LYS  77  10.636  23.121 -16.374
  575    HG2  LYS  77           HG2      LYS  77  12.350  24.912 -16.867
  576    HG3  LYS  77           HG3      LYS  77  11.062  26.115 -16.782
  577    HD2  LYS  77           HD2      LYS  77  11.955  24.281 -14.523
  578    HD3  LYS  77           HD3      LYS  77  12.347  25.994 -14.705
  579    HE2  LYS  77           HE2      LYS  77   9.849  26.493 -14.616
  580    HE3  LYS  77           HE3      LYS  77   9.584  24.792 -14.207
  581    HZ1  LYS  77           HZ1      LYS  77  11.120  25.168 -12.256
  582    HZ2  LYS  77           HZ2      LYS  77  11.134  26.767 -12.604
  583    HZ3  LYS  77           HZ3      LYS  77   9.732  26.052 -12.174
  584    H    GLY  78           H        GLY  78  10.801  21.370 -18.126
  585    HA2  GLY  78           HA2      GLY  78   9.029  20.279 -20.067
  586    HA3  GLY  78           HA3      GLY  78   9.818  19.377 -18.777
  587    H    MET  79           H        MET  79   7.150  19.000 -19.878
  588    HA   MET  79           HA       MET  79   5.202  20.011 -17.948
  589    HB2  MET  79           HB2      MET  79   4.946  17.986 -20.206
  590    HB3  MET  79           HB3      MET  79   3.602  18.621 -19.267
  591    HG2  MET  79           HG2      MET  79   5.466  20.235 -21.044
  592    HG3  MET  79           HG3      MET  79   3.816  19.774 -21.417
  593    HE1  MET  79           HE1      MET  79   2.160  20.388 -18.725
  594    HE2  MET  79           HE2      MET  79   1.662  22.052 -19.091
  595    HE3  MET  79           HE3      MET  79   1.667  20.830 -20.379
  596    H    LEU  80           H        LEU  80   7.235  17.249 -17.980
  597    HA   LEU  80           HA       LEU  80   7.398  15.371 -16.774
  598    HB2  LEU  80           HB2      LEU  80   7.701  17.485 -15.223
  599    HB3  LEU  80           HB3      LEU  80   6.243  16.901 -14.443
  600    HG   LEU  80           HG       LEU  80   7.499  14.608 -14.280
  601   HD11  LEU  80          HD11      LEU  80   9.986  14.870 -14.197
  602   HD12  LEU  80          HD12      LEU  80   9.348  15.062 -15.822
  603   HD13  LEU  80          HD13      LEU  80   9.819  16.496 -14.881
  604   HD21  LEU  80          HD21      LEU  80   7.082  16.046 -12.322
  605   HD22  LEU  80          HD22      LEU  80   8.694  15.305 -12.228
  606   HD23  LEU  80          HD23      LEU  80   8.516  17.006 -12.709
  607    H    TYR  81           H        TYR  81   5.329  14.871 -18.282
  608    HA   TYR  81           HA       TYR  81   2.932  14.071 -16.909
  609    HB2  TYR  81           HB2      TYR  81   3.114  14.560 -19.328
  610    HB3  TYR  81           HB3      TYR  81   4.125  13.134 -19.545
  611    HD1  TYR  81           HD1      TYR  81   0.712  14.252 -18.464
  612    HD2  TYR  81           HD2      TYR  81   3.131  11.002 -19.952
  613    HE1  TYR  81           HE1      TYR  81  -1.342  12.880 -18.821
  614    HE2  TYR  81           HE2      TYR  81   1.083   9.637 -20.316
  615    HH   TYR  81           HH       TYR  81  -1.215   9.551 -20.158
  616    H    ASP  82           H        ASP  82   6.017  12.440 -17.378
  617    HA   ASP  82           HA       ASP  82   5.280   9.739 -16.867
  618    HB2  ASP  82           HB2      ASP  82   7.393  10.177 -17.826
  619    HB3  ASP  82           HB3      ASP  82   7.820  11.352 -16.583
  620    H    SER  83           H        SER  83   4.881   8.563 -15.045
  621    HA   SER  83           HA       SER  83   4.178   9.947 -12.636
  622    HB2  SER  83           HB2      SER  83   4.404   6.958 -13.122
  623    HB3  SER  83           HB3      SER  83   3.536   7.754 -11.800
  624    HG   SER  83           HG       SER  83   2.141   7.181 -13.564
  625    H    ASP  84           H        ASP  84   7.047   7.914 -13.410
  626    HA   ASP  84           HA       ASP  84   7.851   7.623 -10.653
  627    HB2  ASP  84           HB2      ASP  84   8.614   6.075 -12.376
  628    HB3  ASP  84           HB3      ASP  84   9.471   7.380 -13.205
  629    H    SER  85           H        SER  85   9.063   9.855 -13.236
  630    HA   SER  85           HA       SER  85  10.836  11.273 -11.513
  631    HB2  SER  85           HB2      SER  85  10.771  13.054 -13.249
  632    HB3  SER  85           HB3      SER  85  11.124  11.438 -13.870
  633    HG   SER  85           HG       SER  85   9.076  11.229 -14.618
  634    H    GLN  86           H        GLN  86   7.323  11.775 -12.031
  635    HA   GLN  86           HA       GLN  86   7.130  14.168 -10.414
  636    HB2  GLN  86           HB2      GLN  86   5.170  11.941 -11.094
  637    HB3  GLN  86           HB3      GLN  86   4.745  13.278 -10.023
  638    HG2  GLN  86           HG2      GLN  86   5.110  14.920 -11.752
  639    HG3  GLN  86           HG3      GLN  86   5.741  13.690 -12.859
  640   HE21  GLN  86          HE21      GLN  86   4.256  12.104 -13.709
  641   HE22  GLN  86          HE22      GLN  86   2.516  12.401 -13.720
  642    H    GLN  87           H        GLN  87   6.989  10.655  -9.524
  643    HA   GLN  87           HA       GLN  87   6.633  11.195  -6.710
  644    HB2  GLN  87           HB2      GLN  87   7.580   8.750  -8.242
  645    HB3  GLN  87           HB3      GLN  87   7.451   8.771  -6.494
  646    HG2  GLN  87           HG2      GLN  87   5.117   9.378  -8.373
  647    HG3  GLN  87           HG3      GLN  87   5.462   7.793  -7.690
  648   HE21  GLN  87          HE22      GLN  87   2.971   8.786  -7.165
  649   HE22  GLN  87          HE21      GLN  87   2.897   9.304  -5.486
  650    H    ILE  88           H        ILE  88   9.641  10.680  -8.673
  651    HA   ILE  88           HA       ILE  88  11.437  10.943  -6.456
  652    HB   ILE  88           HB       ILE  88  11.961  11.927  -9.289
  653   HG12  ILE  88          HG12      ILE  88  11.464   9.662  -9.674
  654   HG13  ILE  88          HG13      ILE  88  13.192   9.767  -9.631
  655   HG21  ILE  88          HG21      ILE  88  14.349  11.535  -8.684
  656   HG22  ILE  88          HG22      ILE  88  13.597  12.758  -7.663
  657   HG23  ILE  88          HG23      ILE  88  13.847  11.118  -7.032
  658   HD11  ILE  88          HD11      ILE  88  12.393   7.748  -8.525
  659   HD12  ILE  88          HD12      ILE  88  13.202   8.793  -7.341
  660   HD13  ILE  88          HD13      ILE  88  11.423   8.691  -7.390
  661    H    LEU  89           H        LEU  89  10.121  13.535  -8.650
  662    HA   LEU  89           HA       LEU  89  11.399  15.659  -7.266
  663    HB2  LEU  89           HB2      LEU  89  10.369  15.924  -9.506
  664    HB3  LEU  89           HB3      LEU  89   8.782  15.529  -8.858
  665    HG   LEU  89           HG       LEU  89   8.836  17.642  -7.485
  666   HD11  LEU  89          HD11      LEU  89  10.464  19.392  -8.051
  667   HD12  LEU  89          HD12      LEU  89  11.293  17.998  -7.366
  668   HD13  LEU  89          HD13      LEU  89  11.326  18.277  -9.127
  669   HD21  LEU  89          HD21      LEU  89   8.390  19.152  -9.325
  670   HD22  LEU  89          HD22      LEU  89   9.194  18.057 -10.467
  671   HD23  LEU  89          HD23      LEU  89   7.698  17.555  -9.656
  672    H    ASN  90           H        ASN  90   8.119  14.238  -6.666
  673    HA   ASN  90           HA       ASN  90   7.468  16.024  -4.550
  674    HB2  ASN  90           HB2      ASN  90   5.846  14.562  -5.746
  675    HB3  ASN  90           HB3      ASN  90   6.574  13.139  -5.006
  676   HD21  ASN  90          HD22      ASN  90   4.587  16.030  -4.369
  677   HD22  ASN  90          HD21      ASN  90   4.072  15.482  -2.783
  678    H    ARG  91           H        ARG  91   9.115  12.779  -4.369
  679    HA   ARG  91           HA       ARG  91   9.397  12.870  -1.494
  680    HB2  ARG  91           HB2      ARG  91   9.873  10.940  -3.424
  681    HB3  ARG  91           HB3      ARG  91  11.507  11.470  -3.097
  682    HG2  ARG  91           HG2      ARG  91  11.430   9.965  -1.385
  683    HG3  ARG  91           HG3      ARG  91  10.553  11.208  -0.514
  684    HD2  ARG  91           HD2      ARG  91   9.475   8.783  -1.984
  685    HD3  ARG  91           HD3      ARG  91   9.289   9.201  -0.284
  686    HE   ARG  91           HE       ARG  91   7.765  11.054  -0.954
  687   HH11  ARG  91          HH11      ARG  91   8.025   8.356  -3.246
  688   HH12  ARG  91          HH12      ARG  91   6.594   8.922  -4.090
  689   HH21  ARG  91          HH21      ARG  91   6.008  11.662  -2.242
  690   HH22  ARG  91          HH22      ARG  91   5.542  10.586  -3.545
  691    H    LEU  92           H        LEU  92  11.522  14.022  -4.107
  692    HA   LEU  92           HA       LEU  92  13.713  14.770  -2.397
  693    HB2  LEU  92           HB2      LEU  92  13.825  14.225  -4.793
  694    HB3  LEU  92           HB3      LEU  92  12.842  15.613  -5.203
  695    HG   LEU  92           HG       LEU  92  15.216  15.780  -5.736
  696   HD11  LEU  92          HD11      LEU  92  14.533  17.955  -3.761
  697   HD12  LEU  92          HD12      LEU  92  15.558  18.018  -5.203
  698   HD13  LEU  92          HD13      LEU  92  13.806  17.811  -5.385
  699   HD21  LEU  92          HD21      LEU  92  16.199  14.655  -3.769
  700   HD22  LEU  92          HD22      LEU  92  16.893  16.269  -4.012
  701   HD23  LEU  92          HD23      LEU  92  15.695  16.012  -2.733
  702    H    ARG  93           H        ARG  93  11.082  16.754  -3.860
  703    HA   ARG  93           HA       ARG  93  11.849  19.221  -2.622
  704    HB2  ARG  93           HB2      ARG  93  10.349  19.012  -4.579
  705    HB3  ARG  93           HB3      ARG  93   9.108  18.259  -3.563
  706    HG2  ARG  93           HG2      ARG  93   8.911  20.339  -2.242
  707    HG3  ARG  93           HG3      ARG  93  10.211  21.089  -3.192
  708    HD2  ARG  93           HD2      ARG  93   8.861  20.963  -5.229
  709    HD3  ARG  93           HD3      ARG  93   7.617  20.033  -4.398
  710    HE   ARG  93           HE       ARG  93   7.030  21.943  -3.060
  711   HH11  ARG  93          HH11      ARG  93   9.129  22.860  -5.774
  712   HH12  ARG  93          HH12      ARG  93   8.475  24.474  -5.786
  713   HH21  ARG  93          HH21      ARG  93   6.356  24.034  -3.126
  714   HH22  ARG  93          HH22      ARG  93   7.006  25.133  -4.306
  715    H    GLU  94           H        GLU  94   9.567  16.670  -1.463
  716    HA   GLU  94           HA       GLU  94   8.984  18.107   0.969
  717    HB2  GLU  94           HB2      GLU  94   8.694  15.170   0.248
  718    HB3  GLU  94           HB3      GLU  94   8.081  15.898   1.734
  719    HG2  GLU  94           HG2      GLU  94   7.275  16.843  -1.055
  720    HG3  GLU  94           HG3      GLU  94   6.369  15.674  -0.100
  721    H    ARG  95           H        ARG  95  11.464  15.575   0.260
  722    HA   ARG  95           HA       ARG  95  12.542  15.366   2.876
  723    HB2  ARG  95           HB2      ARG  95  13.077  13.912   0.927
  724    HB3  ARG  95           HB3      ARG  95  13.987  15.236   0.187
  725    HG2  ARG  95           HG2      ARG  95  15.540  15.165   2.217
  726    HG3  ARG  95           HG3      ARG  95  14.648  13.733   2.756
  727    HD2  ARG  95           HD2      ARG  95  15.142  12.836   0.328
  728    HD3  ARG  95           HD3      ARG  95  16.386  14.082   0.278
  729    HE   ARG  95           HE       ARG  95  16.374  11.551   1.754
  730   HH11  ARG  95          HH12      ARG  95  17.976  14.700   1.905
  731   HH12  ARG  95          HH11      ARG  95  19.305  14.014   2.795
  732   HH21  ARG  95          HH21      ARG  95  17.939  10.824   2.753
  733   HH22  ARG  95          HH22      ARG  95  19.316  11.798   3.289
  734    H    VAL  96           H        VAL  96  13.374  17.744   0.305
  735    HA   VAL  96           HA       VAL  96  15.415  18.962   2.046
  736    HB   VAL  96           HB       VAL  96  14.543  19.733  -0.757
  737   HG11  VAL  96          HG11      VAL  96  16.805  20.854  -0.796
  738   HG12  VAL  96          HG12      VAL  96  15.662  21.630   0.305
  739   HG13  VAL  96          HG13      VAL  96  16.941  20.565   0.947
  740   HG21  VAL  96          HG21      VAL  96  16.704  18.595  -1.375
  741   HG22  VAL  96          HG22      VAL  96  16.848  18.040   0.312
  742   HG23  VAL  96          HG23      VAL  96  15.526  17.466  -0.703
  743    H    SER  97           H        SER  97  12.188  19.946   0.843
  744    HA   SER  97           HA       SER  97  12.417  22.472   2.429
  745    HB2  SER  97           HB2      SER  97  10.719  21.886  -0.014
  746    HB3  SER  97           HB3      SER  97  10.875  23.436   0.833
  747    HG   SER  97           HG       SER  97  12.279  23.448  -0.921
  748    H    GLY  98           H        GLY  98  10.674  19.502   2.484
  749    HA2  GLY  98           HA2      GLY  98   8.411  20.671   4.057
  750    HA3  GLY  98           HA3      GLY  98   8.471  19.068   3.333
  751    H    SER  99           H        SER  99   7.792  18.578   5.633
  752    HA   SER  99           HA       SER  99   9.824  18.715   7.721
  753    HB2  SER  99           HB2      SER  99   7.158  17.269   7.677
  754    HB3  SER  99           HB3      SER  99   8.156  17.602   9.106
  755    HG   SER  99           HG       SER  99   6.477  19.167   8.835
  756    H    THR 100           H        THR 100   8.962  16.253   5.356
  757    HA   THR 100           HA       THR 100  11.042  14.432   6.292
  758    HB   THR 100           HB       THR 100   9.291  13.847   7.892
  759    HG1  THR 100           HG1      THR 100  10.487  12.121   7.193
  760   HG21  THR 100          HG21      THR 100   7.188  12.815   7.215
  761   HG22  THR 100          HG22      THR 100   7.246  14.494   6.660
  762   HG23  THR 100          HG23      THR 100   7.518  13.162   5.511
  763    H    ALA 101           H        ALA 101  11.368  12.582   4.903
  764    HA   ALA 101           HA       ALA 101  10.564  12.928   2.095
  765    HB1  ALA 101           HB1      ALA 101  12.075  11.026   1.728
  766    HB2  ALA 101           HB2      ALA 101  12.859  12.233   2.764
  767    HB3  ALA 101           HB3      ALA 101  12.201  10.753   3.480
  768    H    GLN 102           H        GLN 102   9.037  11.498   4.777
  769    HA   GLN 102           HA       GLN 102   8.013   9.092   3.558
  770    HB2  GLN 102           HB2      GLN 102   7.210  10.604   6.061
  771    HB3  GLN 102           HB3      GLN 102   6.612   9.000   5.632
  772    HG2  GLN 102           HG2      GLN 102   8.804   8.018   5.798
  773    HG3  GLN 102           HG3      GLN 102   9.575   9.591   6.034
  774   HE21  GLN 102          HE22      GLN 102   8.820  10.868   7.995
  775   HE22  GLN 102          HE21      GLN 102   8.446   9.936   9.449
  776    H    SER 103           H        SER 103   7.410  11.269   1.794
  777    HA   SER 103           HA       SER 103   4.530  11.819   2.002
  778    HB2  SER 103           HB2      SER 103   4.926  13.136  -0.045
  779    HB3  SER 103           HB3      SER 103   5.993  13.585   1.294
  780    HG   SER 103           HG       SER 103   7.140  13.389  -0.666
  781    H    ALA 104           H        ALA 104   6.144   9.117   1.021
  782    HA   ALA 104           HA       ALA 104   4.870   8.416  -1.463
  783    HB1  ALA 104           HB1      ALA 104   7.004   7.412  -0.692
  784    HB2  ALA 104           HB2      ALA 104   6.146   6.661   0.679
  785    HB3  ALA 104           HB3      ALA 104   5.763   6.175  -0.981
  Start of MODEL   10
    1    H1   SER   1           H1       SER   1  16.381 -17.911  10.548
    2    H2   SER   1           H2       SER   1  17.815 -17.143  10.380
    3    H3   SER   1           H3       SER   1  16.587 -16.419  11.193
    4    HA   SER   1           HA       SER   1  16.814 -15.419   9.035
    5    HB2  SER   1           HB2      SER   1  16.319 -18.224   7.948
    6    HB3  SER   1           HB3      SER   1  16.506 -16.737   6.996
    7    HG   SER   1           HG       SER   1  18.485 -17.897   7.152
    8    H    VAL   2           H        VAL   2  14.998 -14.705   7.747
    9    HA   VAL   2           HA       VAL   2  12.309 -15.756   8.501
   10    HB   VAL   2           HB       VAL   2  11.425 -13.466   8.630
   11   HG11  VAL   2          HG11      VAL   2  12.163 -12.959  10.878
   12   HG12  VAL   2          HG12      VAL   2  12.009 -14.712  10.684
   13   HG13  VAL   2          HG13      VAL   2  13.619 -13.953  10.676
   14   HG21  VAL   2          HG21      VAL   2  12.878 -11.538   8.983
   15   HG22  VAL   2          HG22      VAL   2  14.325 -12.528   8.715
   16   HG23  VAL   2          HG23      VAL   2  13.184 -12.230   7.386
   17    H    SER   3           H        SER   3  10.597 -15.190   7.030
   18    HA   SER   3           HA       SER   3  11.336 -14.244   4.332
   19    HB2  SER   3           HB2      SER   3  11.767 -16.742   4.430
   20    HB3  SER   3           HB3      SER   3  10.027 -16.963   4.704
   21    HG   SER   3           HG       SER   3  10.653 -17.089   2.454
   22    H    ILE   4           H        ILE   4   9.369 -14.178   2.911
   23    HA   ILE   4           HA       ILE   4   6.852 -13.545   4.347
   24    HB   ILE   4           HB       ILE   4   6.540 -11.470   3.237
   25   HG12  ILE   4          HG12      ILE   4   7.712 -11.711   1.136
   26   HG13  ILE   4          HG13      ILE   4   8.156 -10.237   1.969
   27   HG21  ILE   4          HG21      ILE   4   9.208 -11.446   4.687
   28   HG22  ILE   4          HG22      ILE   4   8.122 -10.065   4.432
   29   HG23  ILE   4          HG23      ILE   4   7.595 -11.433   5.424
   30   HD11  ILE   4          HD11      ILE   4  10.109 -11.144   0.917
   31   HD12  ILE   4          HD12      ILE   4  10.327 -11.320   2.663
   32   HD13  ILE   4          HD13      ILE   4   9.885 -12.727   1.664
   33    H    LEU   5           H        LEU   5   4.950 -13.617   3.106
   34    HA   LEU   5           HA       LEU   5   5.006 -15.616   1.034
   35    HB2  LEU   5           HB2      LEU   5   3.235 -15.378   2.755
   36    HB3  LEU   5           HB3      LEU   5   2.751 -13.838   2.046
   37    HG   LEU   5           HG       LEU   5   2.081 -15.016  -0.047
   38   HD11  LEU   5          HD11      LEU   5   2.779 -17.546   1.510
   39   HD12  LEU   5          HD12      LEU   5   1.859 -17.497  -0.013
   40   HD13  LEU   5          HD13      LEU   5   3.550 -16.984   0.006
   41   HD21  LEU   5          HD21      LEU   5   0.446 -14.613   1.752
   42   HD22  LEU   5          HD22      LEU   5   0.094 -16.113   0.876
   43   HD23  LEU   5          HD23      LEU   5   0.854 -16.180   2.483
   44    H    ARG   6           H        ARG   6   4.568 -12.101   0.981
   45    HA   ARG   6           HA       ARG   6   5.075 -12.020  -1.950
   46    HB2  ARG   6           HB2      ARG   6   2.753 -10.625  -0.541
   47    HB3  ARG   6           HB3      ARG   6   3.317 -10.223  -2.166
   48    HG2  ARG   6           HG2      ARG   6   2.838 -12.555  -2.905
   49    HG3  ARG   6           HG3      ARG   6   2.161 -12.912  -1.309
   50    HD2  ARG   6           HD2      ARG   6   1.143 -10.741  -3.183
   51    HD3  ARG   6           HD3      ARG   6   0.445 -12.346  -3.059
   52    HE   ARG   6           HE       ARG   6   0.243 -10.136  -1.110
   53   HH11  ARG   6          HH22      ARG   6  -0.494 -13.524  -1.654
   54   HH12  ARG   6          HH21      ARG   6  -1.651 -13.571  -0.352
   55   HH21  ARG   6          HH11      ARG   6  -1.231 -10.270   0.533
   56   HH22  ARG   6          HH12      ARG   6  -2.045 -11.770   0.861
   57    H    SER   7           H        SER   7   6.091 -10.158  -2.672
   58    HA   SER   7           HA       SER   7   7.536  -8.546  -0.684
   59    HB2  SER   7           HB2      SER   7   8.706  -7.649  -2.672
   60    HB3  SER   7           HB3      SER   7   8.782  -9.414  -2.553
   61    HG   SER   7           HG       SER   7   8.273  -8.697  -4.693
   62    H    SER   8           H        SER   8   7.688  -6.179  -0.921
   63    HA   SER   8           HA       SER   8   5.391  -4.772  -2.122
   64    HB2  SER   8           HB2      SER   8   4.824  -3.629  -0.021
   65    HB3  SER   8           HB3      SER   8   4.552  -5.373   0.087
   66    HG   SER   8           HG       SER   8   5.631  -4.557   1.955
   67    H    VAL   9           H        VAL   9   5.598  -2.442  -2.106
   68    HA   VAL   9           HA       VAL   9   8.373  -1.522  -2.492
   69    HB   VAL   9           HB       VAL   9   5.733  -0.046  -2.840
   70   HG11  VAL   9          HG11      VAL   9   7.078   1.548  -4.206
   71   HG12  VAL   9          HG12      VAL   9   7.563   1.573  -2.513
   72   HG13  VAL   9          HG13      VAL   9   8.564   0.711  -3.711
   73   HG21  VAL   9          HG21      VAL   9   6.159  -0.360  -5.268
   74   HG22  VAL   9          HG22      VAL   9   7.584  -1.350  -4.888
   75   HG23  VAL   9          HG23      VAL   9   5.954  -1.905  -4.448
   76    H    ASN  10           H        ASN  10   9.447  -0.008  -1.239
   77    HA   ASN  10           HA       ASN  10   8.172   0.987   1.262
   78    HB2  ASN  10           HB2      ASN  10   9.291  -1.185   1.741
   79    HB3  ASN  10           HB3      ASN  10  10.800  -0.564   1.076
   80   HD21  ASN  10          HD22      ASN  10   8.535  -0.350   3.814
   81   HD22  ASN  10          HD21      ASN  10   9.630   0.577   4.826
   82    H    HIS  11           H        HIS  11   9.146   2.855   2.175
   83    HA   HIS  11           HA       HIS  11  10.047   4.788   0.313
   84    HB2  HIS  11           HB2      HIS  11  10.271   6.247   2.243
   85    HB3  HIS  11           HB3      HIS  11   8.793   5.298   2.363
   86    HD2  HIS  11           HD2      HIS  11  12.167   5.866   4.092
   87    HE1  HIS  11           HE1      HIS  11  10.070   3.037   6.504
   88    HE2  HIS  11           HE2      HIS  11  12.122   4.535   6.369
   89    H    ARG  12           H        ARG  12  12.015   2.496   2.154
   90    HA   ARG  12           HA       ARG  12  14.503   3.821   2.037
   91    HB2  ARG  12           HB2      ARG  12  15.566   1.837   2.309
   92    HB3  ARG  12           HB3      ARG  12  14.031   1.572   3.122
   93    HG2  ARG  12           HG2      ARG  12  13.232   0.160   1.317
   94    HG3  ARG  12           HG3      ARG  12  14.561   0.619   0.266
   95    HD2  ARG  12           HD2      ARG  12  14.813  -0.996   2.784
   96    HD3  ARG  12           HD3      ARG  12  14.930  -1.603   1.124
   97    HE   ARG  12           HE       ARG  12  17.026  -0.501   2.686
   98   HH11  ARG  12          HH11      ARG  12  16.083  -0.429  -0.764
   99   HH12  ARG  12          HH12      ARG  12  17.691   0.114  -1.198
  100   HH21  ARG  12          HH21      ARG  12  19.012   0.108   1.926
  101   HH22  ARG  12          HH22      ARG  12  19.241   0.365   0.205
  102    H    GLU  13           H        GLU  13  12.666   2.429  -0.685
  103    HA   GLU  13           HA       GLU  13  14.946   2.175  -2.416
  104    HB2  GLU  13           HB2      GLU  13  11.992   2.393  -3.053
  105    HB3  GLU  13           HB3      GLU  13  13.249   1.939  -4.206
  106    HG2  GLU  13           HG2      GLU  13  12.586   0.437  -1.639
  107    HG3  GLU  13           HG3      GLU  13  12.027  -0.010  -3.248
  108    H    VAL  14           H        VAL  14  12.426   4.739  -2.095
  109    HA   VAL  14           HA       VAL  14  13.738   6.458  -4.041
  110    HB   VAL  14           HB       VAL  14  11.316   6.480  -3.677
  111   HG11  VAL  14          HG11      VAL  14  10.312   7.755  -1.858
  112   HG12  VAL  14          HG12      VAL  14  11.155   6.336  -1.237
  113   HG13  VAL  14          HG13      VAL  14  11.894   7.945  -1.070
  114   HG21  VAL  14          HG21      VAL  14  12.669   9.171  -3.248
  115   HG22  VAL  14          HG22      VAL  14  12.409   8.340  -4.801
  116   HG23  VAL  14          HG23      VAL  14  11.022   8.906  -3.861
  117    H    ASP  15           H        ASP  15  13.862   6.241  -0.447
  118    HA   ASP  15           HA       ASP  15  15.531   8.545  -0.049
  119    HB2  ASP  15           HB2      ASP  15  14.455   7.398   1.796
  120    HB3  ASP  15           HB3      ASP  15  15.320   5.900   1.430
  121    H    GLU  16           H        GLU  16  16.447   5.113  -0.693
  122    HA   GLU  16           HA       GLU  16  19.260   5.541  -0.825
  123    HB2  GLU  16           HB2      GLU  16  18.275   3.356  -0.509
  124    HB3  GLU  16           HB3      GLU  16  17.446   3.442  -2.074
  125    HG2  GLU  16           HG2      GLU  16  19.505   3.274  -3.289
  126    HG3  GLU  16           HG3      GLU  16  20.467   3.521  -1.821
  127    H    ALA  17           H        ALA  17  16.758   5.660  -3.461
  128    HA   ALA  17           HA       ALA  17  18.653   6.079  -5.526
  129    HB1  ALA  17           HB1      ALA  17  15.739   6.983  -5.328
  130    HB2  ALA  17           HB2      ALA  17  16.694   6.906  -6.823
  131    HB3  ALA  17           HB3      ALA  17  16.311   5.415  -5.938
  132    H    ILE  18           H        ILE  18  16.901   8.467  -3.461
  133    HA   ILE  18           HA       ILE  18  18.056  10.824  -4.642
  134    HB   ILE  18           HB       ILE  18  16.753  10.218  -1.973
  135   HG12  ILE  18          HG12      ILE  18  15.962  11.971  -4.351
  136   HG13  ILE  18          HG13      ILE  18  15.412  10.319  -4.090
  137   HG21  ILE  18          HG21      ILE  18  18.392  11.978  -1.454
  138   HG22  ILE  18          HG22      ILE  18  17.840  12.941  -2.838
  139   HG23  ILE  18          HG23      ILE  18  16.774  12.645  -1.451
  140   HD11  ILE  18          HD11      ILE  18  14.301  11.047  -1.964
  141   HD12  ILE  18          HD12      ILE  18  14.729  12.731  -2.370
  142   HD13  ILE  18          HD13      ILE  18  13.661  11.817  -3.431
  143    H    ASP  19           H        ASP  19  19.141   8.870  -1.785
  144    HA   ASP  19           HA       ASP  19  21.484  10.410  -1.254
  145    HB2  ASP  19           HB2      ASP  19  20.426   8.797   0.288
  146    HB3  ASP  19           HB3      ASP  19  20.868   7.464  -0.778
  147    H    ASN  20           H        ASN  20  21.070   7.549  -3.429
  148    HA   ASN  20           HA       ASN  20  23.804   7.382  -4.223
  149    HB2  ASN  20           HB2      ASN  20  22.164   5.578  -4.561
  150    HB3  ASN  20           HB3      ASN  20  21.247   6.581  -5.691
  151   HD21  ASN  20          HD22      ASN  20  21.846   6.473  -7.872
  152   HD22  ASN  20          HD21      ASN  20  23.333   5.718  -8.413
  153    H    ILE  21           H        ILE  21  21.079   9.257  -5.698
  154    HA   ILE  21           HA       ILE  21  22.695  10.392  -7.816
  155    HB   ILE  21           HB       ILE  21  20.066  11.193  -6.516
  156   HG12  ILE  21          HG12      ILE  21  20.655  10.378  -9.395
  157   HG13  ILE  21          HG13      ILE  21  20.351   9.178  -8.144
  158   HG21  ILE  21          HG21      ILE  21  20.963  13.329  -7.167
  159   HG22  ILE  21          HG22      ILE  21  21.634  12.663  -8.674
  160   HG23  ILE  21          HG23      ILE  21  19.884  12.868  -8.470
  161   HD11  ILE  21          HD11      ILE  21  18.119  10.187  -7.686
  162   HD12  ILE  21          HD12      ILE  21  18.388  11.334  -9.014
  163   HD13  ILE  21          HD13      ILE  21  18.295   9.597  -9.349
  164    H    LEU  22           H        LEU  22  21.874  11.560  -4.526
  165    HA   LEU  22           HA       LEU  22  23.150  14.049  -4.605
  166    HB2  LEU  22           HB2      LEU  22  21.616  13.179  -2.859
  167    HB3  LEU  22           HB3      LEU  22  22.831  12.015  -2.355
  168    HG   LEU  22           HG       LEU  22  24.322  13.938  -1.708
  169   HD11  LEU  22          HD11      LEU  22  23.279  15.715  -3.070
  170   HD12  LEU  22          HD12      LEU  22  21.747  15.517  -2.202
  171   HD13  LEU  22          HD13      LEU  22  23.190  16.121  -1.350
  172   HD21  LEU  22          HD21      LEU  22  23.057  14.421   0.368
  173   HD22  LEU  22          HD22      LEU  22  21.595  13.715  -0.366
  174   HD23  LEU  22          HD23      LEU  22  23.026  12.703  -0.046
  175    H    ARG  23           H        ARG  23  24.582  10.876  -3.656
  176    HA   ARG  23           HA       ARG  23  27.267  11.940  -3.322
  177    HB2  ARG  23           HB2      ARG  23  26.207   9.102  -3.636
  178    HB3  ARG  23           HB3      ARG  23  27.898   9.499  -3.278
  179    HG2  ARG  23           HG2      ARG  23  27.237  10.630  -1.191
  180    HG3  ARG  23           HG3      ARG  23  25.534  10.337  -1.546
  181    HD2  ARG  23           HD2      ARG  23  26.165   7.822  -1.627
  182    HD3  ARG  23           HD3      ARG  23  27.666   8.293  -0.817
  183    HE   ARG  23           HE       ARG  23  24.892   8.288   0.209
  184   HH11  ARG  23          HH11      ARG  23  28.181   9.214   1.077
  185   HH12  ARG  23          HH12      ARG  23  27.703   9.645   2.693
  186   HH21  ARG  23          HH21      ARG  23  24.343   9.066   2.077
  187   HH22  ARG  23          HH22      ARG  23  25.535   9.472   3.307
  188    H    TYR  24           H        TYR  24  25.726  10.156  -6.064
  189    HA   TYR  24           HA       TYR  24  28.047  10.012  -7.689
  190    HB2  TYR  24           HB2      TYR  24  26.044   8.701  -8.071
  191    HB3  TYR  24           HB3      TYR  24  25.089  10.151  -8.356
  192    HD1  TYR  24           HD2      TYR  24  28.319   8.696  -9.706
  193    HD2  TYR  24           HD1      TYR  24  24.459  10.432 -10.573
  194    HE1  TYR  24           HE2      TYR  24  28.783   8.511 -12.141
  195    HE2  TYR  24           HE1      TYR  24  24.921  10.215 -13.018
  196    HH   TYR  24           HH       TYR  24  27.991   8.874 -14.279
  197    H    THR  25           H        THR  25  25.601  12.622  -7.456
  198    HA   THR  25           HA       THR  25  26.940  14.283  -9.467
  199    HB   THR  25           HB       THR  25  25.281  15.989  -8.869
  200    HG1  THR  25           HG1      THR  25  24.157  14.082  -7.119
  201   HG21  THR  25          HG21      THR  25  24.617  14.381 -10.555
  202   HG22  THR  25          HG22      THR  25  24.100  13.215  -9.321
  203   HG23  THR  25          HG23      THR  25  23.232  14.743  -9.511
  204    H    ASN  26           H        ASN  26  27.753  13.658  -6.262
  205    HA   ASN  26           HA       ASN  26  28.938  14.684  -4.663
  206    HB2  ASN  26           HB2      ASN  26  30.577  14.340  -6.553
  207    HB3  ASN  26           HB3      ASN  26  30.371  16.045  -6.968
  208   HD21  ASN  26          HD22      ASN  26  32.758  16.078  -6.572
  209   HD22  ASN  26          HD21      ASN  26  33.310  16.253  -4.915
  210    H    SER  27           H        SER  27  26.514  15.852  -4.930
  211    HA   SER  27           HA       SER  27  26.935  18.818  -4.653
  212    HB2  SER  27           HB2      SER  27  24.646  17.211  -5.847
  213    HB3  SER  27           HB3      SER  27  24.548  18.942  -5.495
  214    HG   SER  27           HG       SER  27  26.539  17.750  -7.156
  215    H    THR  28           H        THR  28  25.098  19.924  -3.433
  216    HA   THR  28           HA       THR  28  24.483  18.482  -0.912
  217    HB   THR  28           HB       THR  28  23.736  20.570  -0.026
  218    HG1  THR  28           HG1      THR  28  23.831  22.447  -1.419
  219   HG21  THR  28          HG21      THR  28  25.686  21.969  -0.149
  220   HG22  THR  28          HG22      THR  28  26.239  20.283  -0.190
  221   HG23  THR  28          HG23      THR  28  26.197  21.242  -1.688
  222    H    GLU  29           H        GLU  29  22.252  18.493  -0.060
  223    HA   GLU  29           HA       GLU  29  20.297  17.632  -1.991
  224    HB2  GLU  29           HB2      GLU  29  19.949  18.494   0.902
  225    HB3  GLU  29           HB3      GLU  29  18.742  17.638  -0.072
  226    HG2  GLU  29           HG2      GLU  29  20.270  15.745  -0.378
  227    HG3  GLU  29           HG3      GLU  29  21.498  16.536   0.611
  228    H    GLN  30           H        GLN  30  20.959  20.830  -0.573
  229    HA   GLN  30           HA       GLN  30  18.611  22.129  -1.670
  230    HB2  GLN  30           HB2      GLN  30  21.321  23.216  -0.790
  231    HB3  GLN  30           HB3      GLN  30  19.947  24.212  -1.296
  232    HG2  GLN  30           HG2      GLN  30  18.559  23.256   0.529
  233    HG3  GLN  30           HG3      GLN  30  19.921  22.274   1.066
  234   HE21  GLN  30          HE22      GLN  30  19.000  23.747   3.054
  235   HE22  GLN  30          HE21      GLN  30  19.972  25.188   3.303
  236    H    GLN  31           H        GLN  31  21.994  21.710  -2.931
  237    HA   GLN  31           HA       GLN  31  21.498  23.101  -5.405
  238    HB2  GLN  31           HB2      GLN  31  23.494  20.973  -4.568
  239    HB3  GLN  31           HB3      GLN  31  23.477  21.626  -6.194
  240    HG2  GLN  31           HG2      GLN  31  23.776  23.354  -3.698
  241    HG3  GLN  31           HG3      GLN  31  25.128  22.708  -4.622
  242   HE21  GLN  31          HE22      GLN  31  25.056  25.414  -4.302
  243   HE22  GLN  31          HE21      GLN  31  24.586  26.178  -5.816
  244    H    PHE  32           H        PHE  32  21.072  19.636  -4.500
  245    HA   PHE  32           HA       PHE  32  20.230  18.821  -7.094
  246    HB2  PHE  32           HB2      PHE  32  20.994  17.303  -5.310
  247    HB3  PHE  32           HB3      PHE  32  19.563  17.684  -4.362
  248    HD1  PHE  32           HD1      PHE  32  18.991  17.169  -7.998
  249    HD2  PHE  32           HD2      PHE  32  19.351  15.216  -4.163
  250    HE1  PHE  32           HE1      PHE  32  17.794  15.209  -8.882
  251    HE2  PHE  32           HE2      PHE  32  18.181  13.232  -5.086
  252    HZ   PHE  32           HZ       PHE  32  17.362  13.239  -7.430
  253    H    LEU  33           H        LEU  33  18.238  19.997  -4.307
  254    HA   LEU  33           HA       LEU  33  15.750  19.850  -5.675
  255    HB2  LEU  33           HB2      LEU  33  16.054  20.093  -3.255
  256    HB3  LEU  33           HB3      LEU  33  16.700  21.710  -3.460
  257    HG   LEU  33           HG       LEU  33  14.373  21.552  -2.591
  258   HD11  LEU  33          HD11      LEU  33  14.383  23.097  -5.199
  259   HD12  LEU  33          HD12      LEU  33  13.467  23.413  -3.726
  260   HD13  LEU  33          HD13      LEU  33  15.223  23.624  -3.720
  261   HD21  LEU  33          HD21      LEU  33  13.534  19.692  -3.977
  262   HD22  LEU  33          HD22      LEU  33  12.498  21.118  -4.061
  263   HD23  LEU  33          HD23      LEU  33  13.578  20.746  -5.414
  264    H    GLU  34           H        GLU  34  18.111  22.536  -5.537
  265    HA   GLU  34           HA       GLU  34  16.598  24.326  -7.164
  266    HB2  GLU  34           HB2      GLU  34  18.503  24.932  -5.671
  267    HB3  GLU  34           HB3      GLU  34  19.623  24.204  -6.833
  268    HG2  GLU  34           HG2      GLU  34  18.907  25.808  -8.558
  269    HG3  GLU  34           HG3      GLU  34  17.682  26.469  -7.467
  270    H    ALA  35           H        ALA  35  19.026  21.865  -8.124
  271    HA   ALA  35           HA       ALA  35  18.930  22.486 -10.926
  272    HB1  ALA  35           HB1      ALA  35  19.995  20.262 -11.186
  273    HB2  ALA  35           HB2      ALA  35  20.757  21.231  -9.915
  274    HB3  ALA  35           HB3      ALA  35  19.653  19.902  -9.477
  275    H    MET  36           H        MET  36  17.011  20.141  -8.965
  276    HA   MET  36           HA       MET  36  15.406  19.174 -11.161
  277    HB2  MET  36           HB2      MET  36  14.904  19.411  -8.162
  278    HB3  MET  36           HB3      MET  36  13.769  18.639  -9.265
  279    HG2  MET  36           HG2      MET  36  16.666  17.767  -9.006
  280    HG3  MET  36           HG3      MET  36  15.380  17.106  -8.016
  281    HE1  MET  36           HE1      MET  36  12.884  16.585  -9.954
  282    HE2  MET  36           HE2      MET  36  13.291  14.909 -10.365
  283    HE3  MET  36           HE3      MET  36  13.572  15.510  -8.717
  284    H    GLU  37           H        GLU  37  14.859  21.982  -8.934
  285    HA   GLU  37           HA       GLU  37  12.396  22.782 -10.161
  286    HB2  GLU  37           HB2      GLU  37  13.212  23.497  -7.937
  287    HB3  GLU  37           HB3      GLU  37  14.488  24.450  -8.705
  288    HG2  GLU  37           HG2      GLU  37  12.796  25.872  -9.799
  289    HG3  GLU  37           HG3      GLU  37  11.501  24.861  -9.150
  290    H    SER  38           H        SER  38  15.783  23.767 -10.870
  291    HA   SER  38           HA       SER  38  15.172  25.656 -12.912
  292    HB2  SER  38           HB2      SER  38  17.306  25.486 -11.660
  293    HB3  SER  38           HB3      SER  38  17.671  23.968 -12.501
  294    HG   SER  38           HG       SER  38  17.372  26.584 -13.647
  295    H    THR  39           H        THR  39  15.584  22.125 -13.088
  296    HA   THR  39           HA       THR  39  15.463  22.191 -16.062
  297    HB   THR  39           HB       THR  39  16.081  19.818 -15.968
  298    HG1  THR  39           HG1      THR  39  16.489  20.214 -13.200
  299   HG21  THR  39          HG21      THR  39  17.903  21.620 -14.312
  300   HG22  THR  39          HG22      THR  39  18.375  20.124 -15.126
  301   HG23  THR  39          HG23      THR  39  17.861  21.515 -16.086
  302    H    GLY  40           H        GLY  40  13.120  22.171 -13.743
  303    HA2  GLY  40           HA2      GLY  40  10.845  21.985 -14.124
  304    HA3  GLY  40           HA3      GLY  40  11.146  21.278 -15.709
  305    H    GLY  41           H        GLY  41  12.670  19.848 -12.899
  306    HA2  GLY  41           HA2      GLY  41  12.049  18.118 -11.498
  307    HA3  GLY  41           HA3      GLY  41  10.511  17.951 -12.346
  308    H    ARG  42           H        ARG  42  12.842  17.771 -14.766
  309    HA   ARG  42           HA       ARG  42  12.566  14.833 -14.949
  310    HB2  ARG  42           HB2      ARG  42  13.692  17.053 -16.667
  311    HB3  ARG  42           HB3      ARG  42  14.228  15.412 -16.975
  312    HG2  ARG  42           HG2      ARG  42  11.277  16.135 -16.904
  313    HG3  ARG  42           HG3      ARG  42  12.274  16.215 -18.370
  314    HD2  ARG  42           HD2      ARG  42  12.882  13.815 -18.093
  315    HD3  ARG  42           HD3      ARG  42  11.802  13.724 -16.679
  316    HE   ARG  42           HE       ARG  42  10.412  14.767 -18.987
  317   HH11  ARG  42          HH21      ARG  42  11.462  11.692 -17.643
  318   HH12  ARG  42          HH22      ARG  42  10.267  10.796 -18.535
  319   HH21  ARG  42          HH11      ARG  42   8.909  13.560 -20.075
  320   HH22  ARG  42          HH12      ARG  42   8.846  11.834 -19.859
  321    H    VAL  43           H        VAL  43  13.750  13.620 -13.606
  322    HA   VAL  43           HA       VAL  43  16.023  14.589 -12.261
  323    HB   VAL  43           HB       VAL  43  14.514  12.763 -11.513
  324   HG11  VAL  43          HG11      VAL  43  14.982  10.453 -12.064
  325   HG12  VAL  43          HG12      VAL  43  14.582  11.313 -13.552
  326   HG13  VAL  43          HG13      VAL  43  16.277  10.910 -13.180
  327   HG21  VAL  43          HG21      VAL  43  16.580  13.302 -10.312
  328   HG22  VAL  43          HG22      VAL  43  16.231  11.561 -10.252
  329   HG23  VAL  43          HG23      VAL  43  17.494  12.170 -11.336
  330    H    ARG  44           H        ARG  44  16.001  12.689 -15.300
  331    HA   ARG  44           HA       ARG  44  18.830  12.328 -15.441
  332    HB2  ARG  44           HB2      ARG  44  18.515  11.774 -17.739
  333    HB3  ARG  44           HB3      ARG  44  17.243  11.059 -16.769
  334    HG2  ARG  44           HG2      ARG  44  15.683  12.923 -17.524
  335    HG3  ARG  44           HG3      ARG  44  16.972  13.487 -18.600
  336    HD2  ARG  44           HD2      ARG  44  15.720  10.711 -18.664
  337    HD3  ARG  44           HD3      ARG  44  15.261  12.058 -19.719
  338    HE   ARG  44           HE       ARG  44  18.007  11.811 -20.102
  339   HH11  ARG  44          HH11      ARG  44  15.273   9.673 -20.618
  340   HH12  ARG  44          HH12      ARG  44  16.081   8.807 -21.897
  341   HH21  ARG  44          HH22      ARG  44  18.978  10.651 -21.732
  342   HH22  ARG  44          HH21      ARG  44  18.114   9.365 -22.516
  343    H    ILE  45           H        ILE  45  16.849  15.094 -16.424
  344    HA   ILE  45           HA       ILE  45  19.085  16.510 -17.682
  345    HB   ILE  45           HB       ILE  45  16.366  17.615 -16.881
  346   HG12  ILE  45          HG12      ILE  45  17.249  16.340 -19.514
  347   HG13  ILE  45          HG13      ILE  45  16.068  15.669 -18.395
  348   HG21  ILE  45          HG21      ILE  45  18.223  19.285 -17.420
  349   HG22  ILE  45          HG22      ILE  45  18.346  18.524 -19.017
  350   HG23  ILE  45          HG23      ILE  45  16.858  19.363 -18.522
  351   HD11  ILE  45          HD11      ILE  45  14.612  17.702 -18.791
  352   HD12  ILE  45          HD12      ILE  45  15.720  18.136 -20.114
  353   HD13  ILE  45          HD13      ILE  45  14.835  16.605 -20.168
  354    H    ALA  46           H        ALA  46  17.463  16.513 -14.497
  355    HA   ALA  46           HA       ALA  46  18.908  18.699 -13.366
  356    HB1  ALA  46           HB1      ALA  46  18.146  17.820 -11.235
  357    HB2  ALA  46           HB2      ALA  46  16.836  17.664 -12.432
  358    HB3  ALA  46           HB3      ALA  46  17.789  16.238 -11.954
  359    H    ILE  47           H        ILE  47  19.679  15.129 -13.255
  360    HA   ILE  47           HA       ILE  47  22.188  15.650 -11.928
  361    HB   ILE  47           HB       ILE  47  22.777  13.367 -12.248
  362   HG12  ILE  47          HG12      ILE  47  20.397  13.117 -14.110
  363   HG13  ILE  47          HG13      ILE  47  22.095  13.021 -14.577
  364   HG21  ILE  47          HG21      ILE  47  21.061  14.096 -10.538
  365   HG22  ILE  47          HG22      ILE  47  19.802  13.484 -11.618
  366   HG23  ILE  47          HG23      ILE  47  21.015  12.379 -10.966
  367   HD11  ILE  47          HD11      ILE  47  22.332  10.987 -13.120
  368   HD12  ILE  47          HD12      ILE  47  20.575  11.038 -12.837
  369   HD13  ILE  47          HD13      ILE  47  21.204  10.785 -14.471
  370    H    ALA  48           H        ALA  48  21.377  15.400 -15.445
  371    HA   ALA  48           HA       ALA  48  24.023  15.742 -16.405
  372    HB1  ALA  48           HB1      ALA  48  22.077  15.213 -17.809
  373    HB2  ALA  48           HB2      ALA  48  21.365  16.799 -17.461
  374    HB3  ALA  48           HB3      ALA  48  22.872  16.692 -18.390
  375    H    LYS  49           H        LYS  49  21.672  18.305 -15.358
  376    HA   LYS  49           HA       LYS  49  23.438  20.516 -15.842
  377    HB2  LYS  49           HB2      LYS  49  20.941  20.546 -15.592
  378    HB3  LYS  49           HB3      LYS  49  21.156  20.429 -13.834
  379    HG2  LYS  49           HG2      LYS  49  22.388  22.516 -13.789
  380    HG3  LYS  49           HG3      LYS  49  22.585  22.503 -15.548
  381    HD2  LYS  49           HD2      LYS  49  20.072  22.760 -15.766
  382    HD3  LYS  49           HD3      LYS  49  20.030  23.066 -14.000
  383    HE2  LYS  49           HE2      LYS  49  21.673  24.888 -14.287
  384    HE3  LYS  49           HE3      LYS  49  21.812  24.504 -16.014
  385    HZ1  LYS  49           HZ1      LYS  49  20.314  26.420 -15.609
  386    HZ2  LYS  49           HZ2      LYS  49  19.487  25.204 -16.311
  387    HZ3  LYS  49           HZ3      LYS  49  19.300  25.509 -14.713
  388    H    LEU  50           H        LEU  50  23.046  18.458 -12.924
  389    HA   LEU  50           HA       LEU  50  24.912  20.015 -11.329
  390    HB2  LEU  50           HB2      LEU  50  23.925  17.146 -11.120
  391    HB3  LEU  50           HB3      LEU  50  24.932  17.936  -9.914
  392    HG   LEU  50           HG       LEU  50  22.198  19.006 -10.703
  393   HD11  LEU  50          HD11      LEU  50  22.936  17.232  -8.349
  394   HD12  LEU  50          HD12      LEU  50  21.343  17.950  -8.684
  395   HD13  LEU  50          HD13      LEU  50  21.992  16.731  -9.774
  396   HD21  LEU  50          HD21      LEU  50  22.348  20.146  -8.499
  397   HD22  LEU  50          HD22      LEU  50  24.010  19.563  -8.327
  398   HD23  LEU  50          HD23      LEU  50  23.593  20.698  -9.625
  399    H    LEU  51           H        LEU  51  25.364  17.198 -13.503
  400    HA   LEU  51           HA       LEU  51  28.158  16.858 -12.706
  401    HB2  LEU  51           HB2      LEU  51  26.382  15.592 -14.824
  402    HB3  LEU  51           HB3      LEU  51  28.054  15.123 -14.588
  403    HG   LEU  51           HG       LEU  51  26.014  14.980 -12.332
  404   HD11  LEU  51          HD11      LEU  51  25.277  13.558 -14.219
  405   HD12  LEU  51          HD12      LEU  51  26.875  12.768 -14.244
  406   HD13  LEU  51          HD13      LEU  51  25.802  12.602 -12.829
  407   HD21  LEU  51          HD21      LEU  51  28.734  13.672 -12.773
  408   HD22  LEU  51          HD22      LEU  51  28.346  14.920 -11.566
  409   HD23  LEU  51          HD23      LEU  51  27.637  13.303 -11.435
  410    H    SER  52           H        SER  52  26.540  18.016 -15.679
  411    HA   SER  52           HA       SER  52  29.187  18.831 -16.809
  412    HB2  SER  52           HB2      SER  52  26.670  17.931 -18.249
  413    HB3  SER  52           HB3      SER  52  28.226  18.331 -19.000
  414    HG   SER  52           HG       SER  52  28.036  16.075 -18.707
  415    H    LYS  53           H        LYS  53  26.800  20.433 -15.348
  416    HA   LYS  53           HA       LYS  53  25.643  22.364 -15.555
  417    HB2  LYS  53           HB2      LYS  53  28.185  22.801 -15.277
  418    HB3  LYS  53           HB3      LYS  53  28.077  23.537 -16.876
  419    HG2  LYS  53           HG2      LYS  53  26.412  25.145 -16.057
  420    HG3  LYS  53           HG3      LYS  53  26.274  24.271 -14.514
  421    HD2  LYS  53           HD2      LYS  53  28.619  24.755 -13.991
  422    HD3  LYS  53           HD3      LYS  53  28.814  25.603 -15.541
  423    HE2  LYS  53           HE2      LYS  53  27.069  27.247 -14.862
  424    HE3  LYS  53           HE3      LYS  53  26.873  26.409 -13.320
  425    HZ1  LYS  53           HZ1      LYS  53  28.361  28.332 -13.116
  426    HZ2  LYS  53           HZ2      LYS  53  29.195  26.968 -12.797
  427    HZ3  LYS  53           HZ3      LYS  53  29.386  27.733 -14.232
  428    H    GLN  54           H        GLN  54  25.146  20.634 -17.796
  429    HA   GLN  54           HA       GLN  54  23.796  22.579 -19.595
  430    HB2  GLN  54           HB2      GLN  54  25.544  20.240 -20.493
  431    HB3  GLN  54           HB3      GLN  54  24.415  21.068 -21.552
  432    HG2  GLN  54           HG2      GLN  54  26.791  22.436 -20.210
  433    HG3  GLN  54           HG3      GLN  54  26.788  21.766 -21.834
  434   HE21  GLN  54          HE22      GLN  54  25.460  24.402 -19.813
  435   HE22  GLN  54          HE21      GLN  54  24.954  25.374 -21.197
  436    H    THR  55           H        THR  55  21.978  21.607 -20.780
  437    HA   THR  55           HA       THR  55  20.525  19.615 -19.192
  438    HB   THR  55           HB       THR  55  18.759  19.966 -20.946
  439    HG1  THR  55           HG1      THR  55  19.129  21.645 -22.431
  440   HG21  THR  55          HG21      THR  55  18.196  22.252 -20.279
  441   HG22  THR  55          HG22      THR  55  18.859  21.385 -18.884
  442   HG23  THR  55          HG23      THR  55  19.866  22.555 -19.757
  443    H    SER  56           H        SER  56  22.390  19.577 -22.180
  444    HA   SER  56           HA       SER  56  21.513  17.039 -23.187
  445    HB2  SER  56           HB2      SER  56  24.174  18.458 -23.593
  446    HB3  SER  56           HB3      SER  56  23.504  17.181 -24.617
  447    HG   SER  56           HG       SER  56  21.815  18.592 -25.215
  448    H    GLY  57           H        GLY  57  22.706  15.047 -23.316
  449    HA2  GLY  57           HA2      GLY  57  24.934  14.513 -21.484
  450    HA3  GLY  57           HA3      GLY  57  23.425  13.710 -21.055
  451    H    GLY  58           H        GLY  58  25.359  12.041 -21.442
  452    HA2  GLY  58           HA2      GLY  58  25.947  11.214 -24.144
  453    HA3  GLY  58           HA3      GLY  58  26.279  10.309 -22.673
  454    H    SER  59           H        SER  59  25.587   8.995 -24.934
  455    HA   SER  59           HA       SER  59  23.069   7.634 -24.177
  456    HB2  SER  59           HB2      SER  59  22.349   9.281 -25.835
  457    HB3  SER  59           HB3      SER  59  23.600   8.735 -26.965
  458    HG   SER  59           HG       SER  59  21.426   7.828 -27.288
  459    H    GLY  60           H        GLY  60  22.954   5.481 -24.815
  460    HA2  GLY  60           HA2      GLY  60  25.445   4.078 -25.463
  461    HA3  GLY  60           HA3      GLY  60  23.858   3.368 -25.172
  462    H    GLY  61           H        GLY  61  23.069   5.594 -27.414
  463    HA2  GLY  61           HA2      GLY  61  22.779   5.643 -29.696
  464    HA3  GLY  61           HA3      GLY  61  24.133   4.529 -29.883
  465    H    SER  62           H        SER  62  21.448   3.527 -27.882
  466    HA   SER  62           HA       SER  62  21.007   1.140 -29.356
  467    HB2  SER  62           HB2      SER  62  19.243   2.406 -27.227
  468    HB3  SER  62           HB3      SER  62  19.225   0.709 -27.742
  469    HG   SER  62           HG       SER  62  20.488   1.016 -25.838
  470    H    LYS  63           H        LYS  63  19.272   0.357 -30.521
  471    HA   LYS  63           HA       LYS  63  16.927   1.969 -31.129
  472    HB2  LYS  63           HB2      LYS  63  17.097   2.183 -33.428
  473    HB3  LYS  63           HB3      LYS  63  18.658   2.706 -32.857
  474    HG2  LYS  63           HG2      LYS  63  17.981   0.023 -34.150
  475    HG3  LYS  63           HG3      LYS  63  18.788   1.373 -34.915
  476    HD2  LYS  63           HD2      LYS  63  19.934  -0.320 -32.655
  477    HD3  LYS  63           HD3      LYS  63  20.347  -0.414 -34.368
  478    HE2  LYS  63           HE2      LYS  63  21.116   1.973 -34.311
  479    HE3  LYS  63           HE3      LYS  63  20.791   2.019 -32.578
  480    HZ1  LYS  63           HZ1      LYS  63  22.784   0.252 -33.916
  481    HZ2  LYS  63           HZ2      LYS  63  23.119   1.544 -32.976
  482    HZ3  LYS  63           HZ3      LYS  63  22.455   0.210 -32.314
  483    H    LEU  64           H        LEU  64  15.382   0.741 -32.555
  484    HA   LEU  64           HA       LEU  64  15.562  -2.217 -32.149
  485    HB2  LEU  64           HB2      LEU  64  13.109  -0.428 -31.890
  486    HB3  LEU  64           HB3      LEU  64  13.074  -2.187 -31.857
  487    HG   LEU  64           HG       LEU  64  14.495  -0.440 -29.796
  488   HD11  LEU  64          HD11      LEU  64  12.661  -1.098 -28.300
  489   HD12  LEU  64          HD12      LEU  64  12.034  -0.236 -29.716
  490   HD13  LEU  64          HD13      LEU  64  11.886  -2.005 -29.620
  491   HD21  LEU  64          HD21      LEU  64  13.963  -3.447 -29.845
  492   HD22  LEU  64          HD22      LEU  64  15.553  -2.657 -29.945
  493   HD23  LEU  64          HD23      LEU  64  14.606  -2.532 -28.462
  494    H    GLY  65           H        GLY  65  14.462  -3.525 -33.658
  495    HA2  GLY  65           HA2      GLY  65  14.715  -2.636 -36.425
  496    HA3  GLY  65           HA3      GLY  65  14.264  -4.236 -35.856
  497    H    GLY  66           H        GLY  66  12.985  -3.580 -37.965
  498    HA2  GLY  66           HA2      GLY  66  10.820  -3.694 -38.795
  499    HA3  GLY  66           HA3      GLY  66  10.167  -3.299 -37.212
  500    H    SER  67           H        SER  67   8.946  -2.250 -39.315
  501    HA   SER  67           HA       SER  67  10.035   0.320 -40.161
  502    HB2  SER  67           HB2      SER  67   7.339  -0.951 -40.748
  503    HB3  SER  67           HB3      SER  67   8.070   0.421 -41.600
  504    HG   SER  67           HG       SER  67   8.409  -1.575 -42.709
  505    H    GLY  68           H        GLY  68   8.165  -0.498 -37.433
  506    HA2  GLY  68           HA2      GLY  68   7.040   0.800 -35.863
  507    HA3  GLY  68           HA3      GLY  68   7.544   2.248 -36.734
  508    H    GLY  69           H        GLY  69   5.467   3.187 -36.404
  509    HA2  GLY  69           HA2      GLY  69   3.421   3.891 -37.185
  510    HA3  GLY  69           HA3      GLY  69   3.646   2.842 -38.585
  511    H    SER  70           H        SER  70   3.461   1.749 -35.204
  512    HA   SER  70           HA       SER  70   1.715  -0.392 -35.684
  513    HB2  SER  70           HB2      SER  70   3.105  -0.318 -33.725
  514    HB3  SER  70           HB3      SER  70   2.262   1.117 -33.109
  515    HG   SER  70           HG       SER  70   1.633  -1.121 -32.320
  516    H    ARG  71           H        ARG  71  -0.397  -0.757 -35.680
  517    HA   ARG  71           HA       ARG  71  -2.351   1.474 -35.379
  518    HB2  ARG  71           HB2      ARG  71  -2.800  -1.421 -36.215
  519    HB3  ARG  71           HB3      ARG  71  -3.966  -0.109 -36.305
  520    HG2  ARG  71           HG2      ARG  71  -1.435  -0.447 -37.958
  521    HG3  ARG  71           HG3      ARG  71  -3.097  -0.538 -38.514
  522    HD2  ARG  71           HD2      ARG  71  -1.672   1.958 -37.506
  523    HD3  ARG  71           HD3      ARG  71  -2.024   1.560 -39.192
  524    HE   ARG  71           HE       ARG  71  -4.506   1.498 -37.921
  525   HH11  ARG  71          HH11      ARG  71  -2.088   3.967 -38.497
  526   HH12  ARG  71          HH12      ARG  71  -3.256   5.260 -38.446
  527   HH21  ARG  71          HH21      ARG  71  -5.944   3.189 -37.841
  528   HH22  ARG  71          HH22      ARG  71  -5.394   4.818 -38.089
  529    H    LYS  72           H        LYS  72  -1.010  -0.954 -33.410
  530    HA   LYS  72           HA       LYS  72  -3.348  -1.216 -31.612
  531    HB2  LYS  72           HB2      LYS  72  -1.832  -3.127 -32.151
  532    HB3  LYS  72           HB3      LYS  72  -0.506  -2.279 -31.341
  533    HG2  LYS  72           HG2      LYS  72  -1.729  -2.363 -29.196
  534    HG3  LYS  72           HG3      LYS  72  -3.145  -3.042 -30.009
  535    HD2  LYS  72           HD2      LYS  72  -1.981  -4.801 -28.840
  536    HD3  LYS  72           HD3      LYS  72  -1.844  -5.080 -30.581
  537    HE2  LYS  72           HE2      LYS  72   0.458  -4.129 -30.554
  538    HE3  LYS  72           HE3      LYS  72   0.303  -3.786 -28.824
  539    HZ1  LYS  72           HZ1      LYS  72   1.493  -5.876 -29.215
  540    HZ2  LYS  72           HZ2      LYS  72   0.097  -6.193 -28.435
  541    HZ3  LYS  72           HZ3      LYS  72   0.233  -6.511 -30.033
  542    H    ASP  73           H        ASP  73  -0.279   0.546 -31.735
  543    HA   ASP  73           HA       ASP  73  -0.403   1.619 -29.056
  544    HB2  ASP  73           HB2      ASP  73   1.677   1.490 -30.356
  545    HB3  ASP  73           HB3      ASP  73   1.025   2.625 -31.542
  546    H    LEU  74           H        LEU  74  -1.401   3.412 -28.245
  547    HA   LEU  74           HA       LEU  74  -2.662   5.419 -29.980
  548    HB2  LEU  74           HB2      LEU  74  -4.322   3.582 -29.851
  549    HB3  LEU  74           HB3      LEU  74  -4.221   3.605 -28.092
  550    HG   LEU  74           HG       LEU  74  -5.183   5.899 -28.066
  551   HD11  LEU  74          HD11      LEU  74  -5.531   5.472 -31.068
  552   HD12  LEU  74          HD12      LEU  74  -6.273   6.775 -30.116
  553   HD13  LEU  74          HD13      LEU  74  -4.521   6.719 -30.308
  554   HD21  LEU  74          HD21      LEU  74  -6.632   3.919 -27.850
  555   HD22  LEU  74          HD22      LEU  74  -7.465   5.240 -28.684
  556   HD23  LEU  74          HD23      LEU  74  -6.833   3.863 -29.616
  557    H    SER  75           H        SER  75  -2.816   7.388 -29.023
  558    HA   SER  75           HA       SER  75  -2.956   7.681 -26.107
  559    HB2  SER  75           HB2      SER  75  -1.216   9.405 -26.022
  560    HB3  SER  75           HB3      SER  75  -0.552   7.839 -26.505
  561    HG   SER  75           HG       SER  75   0.251   9.533 -27.835
  562    H    VAL  76           H        VAL  76  -3.671   9.823 -25.449
  563    HA   VAL  76           HA       VAL  76  -5.043  11.458 -27.520
  564    HB   VAL  76           HB       VAL  76  -7.131  11.486 -26.237
  565   HG11  VAL  76          HG11      VAL  76  -6.381   8.632 -26.965
  566   HG12  VAL  76          HG12      VAL  76  -8.007   9.337 -26.887
  567   HG13  VAL  76          HG13      VAL  76  -6.861   9.897 -28.119
  568   HG21  VAL  76          HG21      VAL  76  -5.936   9.266 -24.524
  569   HG22  VAL  76          HG22      VAL  76  -6.346  10.917 -23.988
  570   HG23  VAL  76          HG23      VAL  76  -7.623   9.815 -24.508
  571    H    LYS  77           H        LYS  77  -5.952  13.504 -26.613
  572    HA   LYS  77           HA       LYS  77  -4.028  14.868 -24.934
  573    HB2  LYS  77           HB2      LYS  77  -5.441  16.813 -25.139
  574    HB3  LYS  77           HB3      LYS  77  -5.225  16.034 -26.704
  575    HG2  LYS  77           HG2      LYS  77  -7.505  15.004 -26.486
  576    HG3  LYS  77           HG3      LYS  77  -7.710  15.844 -24.937
  577    HD2  LYS  77           HD2      LYS  77  -7.433  18.029 -26.084
  578    HD3  LYS  77           HD3      LYS  77  -7.242  17.187 -27.638
  579    HE2  LYS  77           HE2      LYS  77  -9.513  16.199 -27.382
  580    HE3  LYS  77           HE3      LYS  77  -9.703  17.029 -25.830
  581    HZ1  LYS  77           HZ1      LYS  77 -10.762  18.279 -27.626
  582    HZ2  LYS  77           HZ2      LYS  77  -9.530  19.158 -27.022
  583    HZ3  LYS  77           HZ3      LYS  77  -9.365  18.392 -28.459
  584    H    GLY  78           H        GLY  78  -4.146  15.601 -22.842
  585    HA2  GLY  78           HA2      GLY  78  -4.694  15.614 -20.611
  586    HA3  GLY  78           HA3      GLY  78  -6.355  15.227 -21.051
  587    H    MET  79           H        MET  79  -3.955  12.910 -22.085
  588    HA   MET  79           HA       MET  79  -5.147  10.808 -20.516
  589    HB2  MET  79           HB2      MET  79  -4.279  10.541 -22.802
  590    HB3  MET  79           HB3      MET  79  -2.630  10.820 -22.228
  591    HG2  MET  79           HG2      MET  79  -2.736   8.764 -20.895
  592    HG3  MET  79           HG3      MET  79  -4.438   8.539 -21.331
  593    HE1  MET  79           HE1      MET  79  -2.213   6.272 -21.634
  594    HE2  MET  79           HE2      MET  79  -3.924   6.047 -22.068
  595    HE3  MET  79           HE3      MET  79  -2.648   5.600 -23.220
  596    H    LEU  80           H        LEU  80  -4.458   9.746 -18.711
  597    HA   LEU  80           HA       LEU  80  -2.633  11.099 -16.930
  598    HB2  LEU  80           HB2      LEU  80  -4.735   9.998 -16.214
  599    HB3  LEU  80           HB3      LEU  80  -4.093   8.437 -16.719
  600    HG   LEU  80           HG       LEU  80  -2.313   8.614 -14.970
  601   HD11  LEU  80          HD11      LEU  80  -3.829  11.125 -14.126
  602   HD12  LEU  80          HD12      LEU  80  -2.567  10.311 -13.177
  603   HD13  LEU  80          HD13      LEU  80  -2.155  11.068 -14.715
  604   HD21  LEU  80          HD21      LEU  80  -3.799   8.234 -13.052
  605   HD22  LEU  80          HD22      LEU  80  -5.153   8.975 -13.932
  606   HD23  LEU  80          HD23      LEU  80  -4.437   7.452 -14.507
  607    H    TYR  81           H        TYR  81  -0.609  10.549 -16.238
  608    HA   TYR  81           HA       TYR  81   0.691   8.037 -17.051
  609    HB2  TYR  81           HB2      TYR  81   2.568   9.082 -18.093
  610    HB3  TYR  81           HB3      TYR  81   1.131   9.654 -18.909
  611    HD1  TYR  81           HD1      TYR  81   0.330  12.009 -18.567
  612    HD2  TYR  81           HD2      TYR  81   4.042  10.589 -16.886
  613    HE1  TYR  81           HE1      TYR  81   1.052  14.361 -18.176
  614    HE2  TYR  81           HE2      TYR  81   4.764  12.943 -16.491
  615    HH   TYR  81           HH       TYR  81   2.709  15.748 -17.378
  616    H    ASP  82           H        ASP  82   2.886   7.846 -16.020
  617    HA   ASP  82           HA       ASP  82   3.355   9.530 -13.649
  618    HB2  ASP  82           HB2      ASP  82   1.963   7.631 -12.857
  619    HB3  ASP  82           HB3      ASP  82   3.173   6.501 -13.474
  620    H    SER  83           H        SER  83   5.521   9.214 -12.723
  621    HA   SER  83           HA       SER  83   7.594   7.918 -14.327
  622    HB2  SER  83           HB2      SER  83   7.265   9.977 -15.653
  623    HB3  SER  83           HB3      SER  83   7.442  10.960 -14.189
  624    HG   SER  83           HG       SER  83   9.402   9.487 -15.602
  625    H    ASP  84           H        ASP  84   9.525   7.689 -13.212
  626    HA   ASP  84           HA       ASP  84   9.604   8.138 -10.362
  627    HB2  ASP  84           HB2      ASP  84  11.871   7.356 -10.478
  628    HB3  ASP  84           HB3      ASP  84  10.824   6.317 -11.434
  629    H    SER  85           H        SER  85  10.411  10.214 -13.102
  630    HA   SER  85           HA       SER  85  12.087  12.110 -11.757
  631    HB2  SER  85           HB2      SER  85  10.186  12.287 -14.108
  632    HB3  SER  85           HB3      SER  85  10.925  13.736 -13.439
  633    HG   SER  85           HG       SER  85  12.252  11.457 -14.522
  634    H    GLN  86           H        GLN  86   8.451  12.032 -11.992
  635    HA   GLN  86           HA       GLN  86   8.260  14.360 -10.271
  636    HB2  GLN  86           HB2      GLN  86   5.907  14.122 -10.299
  637    HB3  GLN  86           HB3      GLN  86   6.572  14.004 -11.927
  638    HG2  GLN  86           HG2      GLN  86   6.168  11.603 -11.986
  639    HG3  GLN  86           HG3      GLN  86   5.662  11.597 -10.290
  640   HE21  GLN  86          HE22      GLN  86   3.712  10.499 -11.443
  641   HE22  GLN  86          HE21      GLN  86   2.459  11.608 -12.008
  642    H    GLN  87           H        GLN  87   8.214  10.847  -9.603
  643    HA   GLN  87           HA       GLN  87   7.456  11.080  -6.849
  644    HB2  GLN  87           HB2      GLN  87   7.507   8.976  -8.223
  645    HB3  GLN  87           HB3      GLN  87   9.272   9.004  -8.156
  646    HG2  GLN  87           HG2      GLN  87   9.126   8.883  -5.633
  647    HG3  GLN  87           HG3      GLN  87   7.368   8.780  -5.773
  648   HE21  GLN  87          HE22      GLN  87   6.479   6.821  -6.992
  649   HE22  GLN  87          HE21      GLN  87   7.449   5.360  -6.953
  650    H    ILE  88           H        ILE  88  10.694  11.079  -8.403
  651    HA   ILE  88           HA       ILE  88  12.199  11.533  -5.971
  652    HB   ILE  88           HB       ILE  88  12.830  12.050  -8.897
  653   HG12  ILE  88          HG12      ILE  88  12.623   9.642  -8.101
  654   HG13  ILE  88          HG13      ILE  88  14.137  10.090  -8.861
  655   HG21  ILE  88          HG21      ILE  88  14.658  12.427  -6.479
  656   HG22  ILE  88          HG22      ILE  88  15.239  12.262  -8.151
  657   HG23  ILE  88          HG23      ILE  88  14.220  13.631  -7.699
  658   HD11  ILE  88          HD11      ILE  88  15.297  10.091  -6.726
  659   HD12  ILE  88          HD12      ILE  88  13.765   9.909  -5.845
  660   HD13  ILE  88          HD13      ILE  88  14.366   8.596  -6.869
  661    H    LEU  89           H        LEU  89  10.840  13.859  -8.408
  662    HA   LEU  89           HA       LEU  89  11.763  16.197  -7.105
  663    HB2  LEU  89           HB2      LEU  89  10.728  16.159  -9.388
  664    HB3  LEU  89           HB3      LEU  89   9.191  15.674  -8.684
  665    HG   LEU  89           HG       LEU  89   9.052  17.859  -7.478
  666   HD11  LEU  89          HD11      LEU  89  11.466  18.465  -7.422
  667   HD12  LEU  89          HD12      LEU  89  11.447  18.619  -9.196
  668   HD13  LEU  89          HD13      LEU  89  10.491  19.721  -8.186
  669   HD21  LEU  89          HD21      LEU  89   8.478  19.191  -9.446
  670   HD22  LEU  89          HD22      LEU  89   9.344  18.039 -10.487
  671   HD23  LEU  89          HD23      LEU  89   7.898  17.523  -9.600
  672    H    ASN  90           H        ASN  90   8.537  14.593  -6.611
  673    HA   ASN  90           HA       ASN  90   7.819  16.535  -4.613
  674    HB2  ASN  90           HB2      ASN  90   6.680  13.820  -5.378
  675    HB3  ASN  90           HB3      ASN  90   5.962  14.854  -4.138
  676   HD21  ASN  90          HD22      ASN  90   4.426  14.186  -6.343
  677   HD22  ASN  90          HD21      ASN  90   4.214  15.632  -7.311
  678    H    ARG  91           H        ARG  91   9.283  13.239  -4.223
  679    HA   ARG  91           HA       ARG  91   9.326  13.498  -1.350
  680    HB2  ARG  91           HB2      ARG  91   9.596  11.350  -2.733
  681    HB3  ARG  91           HB3      ARG  91  11.247  11.861  -3.062
  682    HG2  ARG  91           HG2      ARG  91  11.343  10.341  -1.217
  683    HG3  ARG  91           HG3      ARG  91  11.642  11.933  -0.548
  684    HD2  ARG  91           HD2      ARG  91  10.204  10.845   0.975
  685    HD3  ARG  91           HD3      ARG  91   9.191  12.016   0.162
  686    HE   ARG  91           HE       ARG  91   9.216   9.047  -0.196
  687   HH11  ARG  91          HH11      ARG  91   7.316  12.003  -0.615
  688   HH12  ARG  91          HH12      ARG  91   6.054  11.132  -1.430
  689   HH21  ARG  91          HH21      ARG  91   7.482   8.036  -1.142
  690   HH22  ARG  91          HH22      ARG  91   6.101   8.966  -1.624
  691    H    LEU  92           H        LEU  92  11.591  14.701  -3.836
  692    HA   LEU  92           HA       LEU  92  13.565  15.517  -1.866
  693    HB2  LEU  92           HB2      LEU  92  14.033  15.021  -4.274
  694    HB3  LEU  92           HB3      LEU  92  13.145  16.479  -4.719
  695    HG   LEU  92           HG       LEU  92  14.863  17.819  -3.407
  696   HD11  LEU  92          HD11      LEU  92  15.731  16.051  -1.896
  697   HD12  LEU  92          HD12      LEU  92  16.312  15.134  -3.304
  698   HD13  LEU  92          HD13      LEU  92  17.023  16.714  -2.900
  699   HD21  LEU  92          HD21      LEU  92  15.855  15.993  -5.643
  700   HD22  LEU  92          HD22      LEU  92  15.011  17.556  -5.830
  701   HD23  LEU  92          HD23      LEU  92  16.637  17.492  -5.119
  702    H    ARG  93           H        ARG  93  10.742  17.147  -3.370
  703    HA   ARG  93           HA       ARG  93  11.169  19.755  -2.201
  704    HB2  ARG  93           HB2      ARG  93   8.665  18.276  -3.120
  705    HB3  ARG  93           HB3      ARG  93   8.623  19.919  -2.496
  706    HG2  ARG  93           HG2      ARG  93   9.961  20.770  -4.301
  707    HG3  ARG  93           HG3      ARG  93  10.376  19.153  -4.865
  708    HD2  ARG  93           HD2      ARG  93   8.675  20.075  -6.331
  709    HD3  ARG  93           HD3      ARG  93   8.007  18.710  -5.422
  710    HE   ARG  93           HE       ARG  93   7.577  21.476  -4.388
  711   HH11  ARG  93          HH21      ARG  93   6.013  18.708  -5.977
  712   HH12  ARG  93          HH22      ARG  93   4.445  19.422  -5.758
  713   HH21  ARG  93          HH12      ARG  93   5.526  22.228  -4.118
  714   HH22  ARG  93          HH11      ARG  93   4.173  21.319  -4.719
  715    H    GLU  94           H        GLU  94   9.305  16.911  -0.990
  716    HA   GLU  94           HA       GLU  94   8.591  18.099   1.525
  717    HB2  GLU  94           HB2      GLU  94   9.143  15.202   0.768
  718    HB3  GLU  94           HB3      GLU  94   8.414  15.713   2.298
  719    HG2  GLU  94           HG2      GLU  94   6.507  16.683   1.140
  720    HG3  GLU  94           HG3      GLU  94   7.201  16.321  -0.432
  721    H    ARG  95           H        ARG  95  11.386  15.997   0.687
  722    HA   ARG  95           HA       ARG  95  12.623  15.921   3.214
  723    HB2  ARG  95           HB2      ARG  95  13.021  14.458   1.267
  724    HB3  ARG  95           HB3      ARG  95  13.791  15.796   0.405
  725    HG2  ARG  95           HG2      ARG  95  15.626  15.798   2.118
  726    HG3  ARG  95           HG3      ARG  95  14.836  14.408   2.908
  727    HD2  ARG  95           HD2      ARG  95  14.964  13.176   0.696
  728    HD3  ARG  95           HD3      ARG  95  15.838  14.549   0.023
  729    HE   ARG  95           HE       ARG  95  17.720  14.111   1.469
  730   HH11  ARG  95          HH21      ARG  95  15.368  11.499   1.738
  731   HH12  ARG  95          HH22      ARG  95  16.608  10.363   2.213
  732   HH21  ARG  95          HH11      ARG  95  19.111  12.777   2.090
  733   HH22  ARG  95          HH12      ARG  95  18.732  11.085   2.474
  734    H    VAL  96           H        VAL  96  13.161  18.320   0.603
  735    HA   VAL  96           HA       VAL  96  15.260  19.648   2.224
  736    HB   VAL  96           HB       VAL  96  14.348  20.113  -0.634
  737   HG11  VAL  96          HG11      VAL  96  16.760  21.216   0.878
  738   HG12  VAL  96          HG12      VAL  96  16.509  21.331  -0.877
  739   HG13  VAL  96          HG13      VAL  96  15.402  22.158   0.216
  740   HG21  VAL  96          HG21      VAL  96  15.436  17.908  -0.316
  741   HG22  VAL  96          HG22      VAL  96  16.519  18.993  -1.180
  742   HG23  VAL  96          HG23      VAL  96  16.773  18.681   0.555
  743    H    SER  97           H        SER  97  11.966  20.382   1.037
  744    HA   SER  97           HA       SER  97  12.130  23.070   2.329
  745    HB2  SER  97           HB2      SER  97  10.341  22.165   0.056
  746    HB3  SER  97           HB3      SER  97  10.471  23.794   0.711
  747    HG   SER  97           HG       SER  97  12.572  23.947  -0.054
  748    H    GLY  98           H        GLY  98  10.733  20.057   3.009
  749    HA2  GLY  98           HA2      GLY  98   9.364  19.586   4.818
  750    HA3  GLY  98           HA3      GLY  98   8.859  21.270   4.940
  751    H    SER  99           H        SER  99   7.195  18.872   5.007
  752    HA   SER  99           HA       SER  99   5.905  18.329   2.558
  753    HB2  SER  99           HB2      SER  99   4.730  18.110   5.353
  754    HB3  SER  99           HB3      SER  99   4.201  17.235   3.901
  755    HG   SER  99           HG       SER  99   5.614  15.967   5.222
  756    H    THR 100           H        THR 100   5.394  21.048   4.699
  757    HA   THR 100           HA       THR 100   2.885  21.892   3.372
  758    HB   THR 100           HB       THR 100   3.077  23.829   4.973
  759    HG1  THR 100           HG1      THR 100   4.601  23.619   6.630
  760   HG21  THR 100          HG21      THR 100   3.163  21.067   6.266
  761   HG22  THR 100          HG22      THR 100   2.447  22.542   6.954
  762   HG23  THR 100          HG23      THR 100   1.738  21.807   5.507
  763    H    ALA 101           H        ALA 101   6.127  22.135   2.553
  764    HA   ALA 101           HA       ALA 101   7.430  23.566   1.379
  765    HB1  ALA 101           HB1      ALA 101   4.823  24.045  -0.115
  766    HB2  ALA 101           HB2      ALA 101   6.474  24.205  -0.763
  767    HB3  ALA 101           HB3      ALA 101   5.863  22.617  -0.286
  768    H    GLN 102           H        GLN 102   6.262  26.100   0.000
  769    HA   GLN 102           HA       GLN 102   7.023  27.973   2.108
  770    HB2  GLN 102           HB2      GLN 102   5.936  28.393  -0.704
  771    HB3  GLN 102           HB3      GLN 102   6.484  29.685   0.372
  772    HG2  GLN 102           HG2      GLN 102   8.747  28.645   0.481
  773    HG3  GLN 102           HG3      GLN 102   8.224  27.404  -0.659
  774   HE21  GLN 102          HE22      GLN 102  10.386  28.669  -1.527
  775   HE22  GLN 102          HE21      GLN 102   9.983  29.883  -2.736
  776    H    SER 103           H        SER 103   3.927  26.793   0.861
  777    HA   SER 103           HA       SER 103   2.503  27.961   3.102
  778    HB2  SER 103           HB2      SER 103   2.552  29.860   1.453
  779    HB3  SER 103           HB3      SER 103   1.685  28.831   0.300
  780    HG   SER 103           HG       SER 103   0.276  30.195   1.556
  781    H    ALA 104           H        ALA 104   0.583  26.922   3.517
  782    HA   ALA 104           HA       ALA 104  -0.600  24.996   1.632
  783    HB1  ALA 104           HB1      ALA 104   1.081  23.649   2.817
  784    HB2  ALA 104           HB2      ALA 104   0.426  24.179   4.387
  785    HB3  ALA 104           HB3      ALA 104  -0.557  23.169   3.304
  Start of MODEL   11
    1    H1   SER   1           H1       SER   1   5.393 -17.464  -8.933
    2    H2   SER   1           H2       SER   1   5.765 -17.416  -7.341
    3    H3   SER   1           H3       SER   1   5.830 -16.047  -8.249
    4    HA   SER   1           HA       SER   1   7.556 -18.408  -8.611
    5    HB2  SER   1           HB2      SER   1   8.872 -16.936 -10.148
    6    HB3  SER   1           HB3      SER   1   7.258 -17.354 -10.735
    7    HG   SER   1           HG       SER   1   7.640 -15.128 -11.007
    8    H    VAL   2           H        VAL   2   8.278 -14.907  -8.165
    9    HA   VAL   2           HA       VAL   2  10.360 -15.524  -6.213
   10    HB   VAL   2           HB       VAL   2  10.698 -13.103  -6.082
   11   HG11  VAL   2          HG11      VAL   2  11.503 -12.787  -8.353
   12   HG12  VAL   2          HG12      VAL   2  11.804 -14.452  -7.832
   13   HG13  VAL   2          HG13      VAL   2  10.467 -14.098  -8.951
   14   HG21  VAL   2          HG21      VAL   2   8.431 -12.822  -8.105
   15   HG22  VAL   2          HG22      VAL   2   8.382 -12.284  -6.411
   16   HG23  VAL   2          HG23      VAL   2   9.519 -11.542  -7.542
   17    H    SER   3           H        SER   3  10.538 -14.655  -4.066
   18    HA   SER   3           HA       SER   3   8.089 -14.945  -2.496
   19    HB2  SER   3           HB2      SER   3  10.356 -15.805  -1.808
   20    HB3  SER   3           HB3      SER   3  10.845 -14.121  -1.524
   21    HG   SER   3           HG       SER   3  10.018 -15.197   0.376
   22    H    ILE   4           H        ILE   4   7.381 -13.390  -0.896
   23    HA   ILE   4           HA       ILE   4   7.098 -10.733  -2.166
   24    HB   ILE   4           HB       ILE   4   5.533 -11.875   0.163
   25   HG12  ILE   4          HG12      ILE   4   5.135 -13.425  -1.618
   26   HG13  ILE   4          HG13      ILE   4   3.732 -12.398  -1.461
   27   HG21  ILE   4          HG21      ILE   4   5.309  -9.464  -0.008
   28   HG22  ILE   4          HG22      ILE   4   4.983  -9.557  -1.751
   29   HG23  ILE   4          HG23      ILE   4   3.819 -10.208  -0.580
   30   HD11  ILE   4          HD11      ILE   4   4.485 -11.085  -3.469
   31   HD12  ILE   4          HD12      ILE   4   5.867 -12.199  -3.634
   32   HD13  ILE   4          HD13      ILE   4   4.216 -12.802  -3.811
   33    H    LEU   5           H        LEU   5   7.725  -8.818  -1.280
   34    HA   LEU   5           HA       LEU   5   9.700  -8.867   0.869
   35    HB2  LEU   5           HB2      LEU   5   8.502  -6.541  -0.690
   36    HB3  LEU   5           HB3      LEU   5   9.874  -6.436   0.406
   37    HG   LEU   5           HG       LEU   5   9.805  -8.001  -2.215
   38   HD11  LEU   5          HD11      LEU   5  11.307  -5.472  -1.420
   39   HD12  LEU   5          HD12      LEU   5  11.387  -6.304  -2.991
   40   HD13  LEU   5          HD13      LEU   5   9.874  -5.540  -2.474
   41   HD21  LEU   5          HD21      LEU   5  11.324  -9.131  -0.654
   42   HD22  LEU   5          HD22      LEU   5  12.258  -8.263  -1.868
   43   HD23  LEU   5          HD23      LEU   5  12.089  -7.580  -0.236
   44    H    ARG   6           H        ARG   6   9.678  -7.548   2.763
   45    HA   ARG   6           HA       ARG   6   7.203  -7.694   4.286
   46    HB2  ARG   6           HB2      ARG   6   9.888  -6.393   4.925
   47    HB3  ARG   6           HB3      ARG   6   8.540  -6.533   6.059
   48    HG2  ARG   6           HG2      ARG   6   8.615  -9.012   5.865
   49    HG3  ARG   6           HG3      ARG   6   9.993  -8.883   4.758
   50    HD2  ARG   6           HD2      ARG   6  11.305  -7.735   6.514
   51    HD3  ARG   6           HD3      ARG   6   9.955  -7.865   7.637
   52    HE   ARG   6           HE       ARG   6  11.784 -10.001   6.739
   53   HH11  ARG   6          HH11      ARG   6   8.793  -9.401   8.488
   54   HH12  ARG   6          HH12      ARG   6   8.841 -10.957   9.268
   55   HH21  ARG   6          HH21      ARG   6  11.771 -11.959   7.762
   56   HH22  ARG   6          HH22      ARG   6  10.494 -12.360   8.870
   57    H    SER   7           H        SER   7   5.936  -6.111   5.087
   58    HA   SER   7           HA       SER   7   4.466  -4.415   4.727
   59    HB2  SER   7           HB2      SER   7   5.248  -2.290   5.584
   60    HB3  SER   7           HB3      SER   7   5.805  -3.664   6.545
   61    HG   SER   7           HG       SER   7   7.515  -2.219   6.241
   62    H    SER   8           H        SER   8   6.690  -2.076   3.536
   63    HA   SER   8           HA       SER   8   6.195  -2.491   0.702
   64    HB2  SER   8           HB2      SER   8   4.918  -0.124   2.124
   65    HB3  SER   8           HB3      SER   8   5.328  -0.085   0.401
   66    HG   SER   8           HG       SER   8   3.784  -2.188   1.522
   67    H    VAL   9           H        VAL   9   7.824  -1.563  -0.509
   68    HA   VAL   9           HA       VAL   9   9.998  -0.221   1.054
   69    HB   VAL   9           HB       VAL   9  11.583  -1.259  -0.461
   70   HG11  VAL   9          HG11      VAL   9  10.902  -2.409   1.616
   71   HG12  VAL   9          HG12      VAL   9   9.653  -3.296   0.717
   72   HG13  VAL   9          HG13      VAL   9  11.370  -3.541   0.334
   73   HG21  VAL   9          HG21      VAL   9  10.156  -1.457  -2.504
   74   HG22  VAL   9          HG22      VAL   9  10.959  -2.967  -2.062
   75   HG23  VAL   9          HG23      VAL   9   9.234  -2.755  -1.708
   76    H    ASN  10           H        ASN  10   7.799   0.774  -1.224
   77    HA   ASN  10           HA       ASN  10   9.258   2.103  -3.191
   78    HB2  ASN  10           HB2      ASN  10   6.897   1.868  -3.367
   79    HB3  ASN  10           HB3      ASN  10   6.599   2.676  -1.840
   80   HD21  ASN  10          HD22      ASN  10   6.657   4.996  -1.732
   81   HD22  ASN  10          HD21      ASN  10   6.566   5.920  -3.242
   82    H    HIS  11           H        HIS  11   8.249   3.618  -0.077
   83    HA   HIS  11           HA       HIS  11   9.609   6.068  -0.360
   84    HB2  HIS  11           HB2      HIS  11   9.506   6.240   2.066
   85    HB3  HIS  11           HB3      HIS  11   8.001   5.606   1.426
   86    HD2  HIS  11           HD2      HIS  11   7.882   2.679   1.585
   87    HE1  HIS  11           HE1      HIS  11  10.380   2.507   5.025
   88    HE2  HIS  11           HE2      HIS  11   8.770   1.188   3.531
   89    H    ARG  12           H        ARG  12  10.984   3.026   1.035
   90    HA   ARG  12           HA       ARG  12  13.585   4.103   1.557
   91    HB2  ARG  12           HB2      ARG  12  12.946   2.064   2.633
   92    HB3  ARG  12           HB3      ARG  12  12.524   1.291   1.108
   93    HG2  ARG  12           HG2      ARG  12  14.582   0.359   2.005
   94    HG3  ARG  12           HG3      ARG  12  14.860   1.125   0.451
   95    HD2  ARG  12           HD2      ARG  12  15.763   3.154   1.688
   96    HD3  ARG  12           HD3      ARG  12  15.614   2.244   3.188
   97    HE   ARG  12           HE       ARG  12  17.485   1.727   0.901
   98   HH11  ARG  12          HH21      ARG  12  16.581   0.671   4.138
   99   HH12  ARG  12          HH22      ARG  12  18.024  -0.295   4.280
  100   HH21  ARG  12          HH11      ARG  12  19.148   0.569   1.115
  101   HH22  ARG  12          HH12      ARG  12  19.498  -0.366   2.575
  102    H    GLU  13           H        GLU  13  12.353   2.359  -1.345
  103    HA   GLU  13           HA       GLU  13  14.816   2.442  -2.771
  104    HB2  GLU  13           HB2      GLU  13  12.865   1.004  -3.292
  105    HB3  GLU  13           HB3      GLU  13  11.970   2.422  -3.860
  106    HG2  GLU  13           HG2      GLU  13  13.599   2.772  -5.662
  107    HG3  GLU  13           HG3      GLU  13  14.635   1.493  -5.020
  108    H    VAL  14           H        VAL  14  12.112   4.830  -2.742
  109    HA   VAL  14           HA       VAL  14  13.313   6.620  -4.652
  110    HB   VAL  14           HB       VAL  14  11.211   7.002  -2.485
  111   HG11  VAL  14          HG11      VAL  14  12.122   9.220  -2.860
  112   HG12  VAL  14          HG12      VAL  14  12.102   8.979  -4.615
  113   HG13  VAL  14          HG13      VAL  14  10.578   9.103  -3.714
  114   HG21  VAL  14          HG21      VAL  14   9.631   6.955  -4.308
  115   HG22  VAL  14          HG22      VAL  14  10.932   6.905  -5.524
  116   HG23  VAL  14          HG23      VAL  14  10.642   5.524  -4.465
  117    H    ASP  15           H        ASP  15  13.389   6.660  -1.029
  118    HA   ASP  15           HA       ASP  15  14.966   9.062  -0.937
  119    HB2  ASP  15           HB2      ASP  15  13.486   8.148   0.879
  120    HB3  ASP  15           HB3      ASP  15  14.698   6.889   1.168
  121    H    GLU  16           H        GLU  16  15.864   5.592  -0.906
  122    HA   GLU  16           HA       GLU  16  18.696   5.922  -0.699
  123    HB2  GLU  16           HB2      GLU  16  17.550   3.784  -0.405
  124    HB3  GLU  16           HB3      GLU  16  17.006   3.804  -2.093
  125    HG2  GLU  16           HG2      GLU  16  19.282   3.622  -2.914
  126    HG3  GLU  16           HG3      GLU  16  19.937   3.807  -1.278
  127    H    ALA  17           H        ALA  17  16.530   5.917  -3.615
  128    HA   ALA  17           HA       ALA  17  18.677   6.195  -5.461
  129    HB1  ALA  17           HB1      ALA  17  15.763   7.076  -5.702
  130    HB2  ALA  17           HB2      ALA  17  16.915   6.929  -7.046
  131    HB3  ALA  17           HB3      ALA  17  16.426   5.482  -6.145
  132    H    ILE  18           H        ILE  18  16.744   8.651  -3.675
  133    HA   ILE  18           HA       ILE  18  17.978  10.980  -4.782
  134    HB   ILE  18           HB       ILE  18  16.548  10.366  -2.196
  135   HG12  ILE  18          HG12      ILE  18  15.883  12.294  -4.457
  136   HG13  ILE  18          HG13      ILE  18  15.388  10.604  -4.459
  137   HG21  ILE  18          HG21      ILE  18  17.796  13.062  -2.889
  138   HG22  ILE  18          HG22      ILE  18  16.591  12.789  -1.616
  139   HG23  ILE  18          HG23      ILE  18  18.167  12.039  -1.486
  140   HD11  ILE  18          HD11      ILE  18  14.142  10.965  -2.326
  141   HD12  ILE  18          HD12      ILE  18  14.510  12.705  -2.442
  142   HD13  ILE  18          HD13      ILE  18  13.537  11.918  -3.696
  143    H    ASP  19           H        ASP  19  18.994   9.047  -1.864
  144    HA   ASP  19           HA       ASP  19  21.387  10.601  -1.457
  145    HB2  ASP  19           HB2      ASP  19  20.492   7.843  -0.579
  146    HB3  ASP  19           HB3      ASP  19  22.122   8.429  -0.245
  147    H    ASN  20           H        ASN  20  20.834   7.698  -3.513
  148    HA   ASN  20           HA       ASN  20  23.578   7.310  -4.202
  149    HB2  ASN  20           HB2      ASN  20  21.686   5.692  -4.569
  150    HB3  ASN  20           HB3      ASN  20  21.072   6.744  -5.852
  151   HD21  ASN  20          HD22      ASN  20  21.309   4.733  -7.182
  152   HD22  ASN  20          HD21      ASN  20  22.898   4.381  -7.836
  153    H    ILE  21           H        ILE  21  21.028   9.335  -5.748
  154    HA   ILE  21           HA       ILE  21  22.721  10.445  -7.810
  155    HB   ILE  21           HB       ILE  21  20.119  11.345  -6.515
  156   HG12  ILE  21          HG12      ILE  21  20.634  10.471  -9.390
  157   HG13  ILE  21          HG13      ILE  21  20.323   9.287  -8.125
  158   HG21  ILE  21          HG21      ILE  21  20.034  12.982  -8.513
  159   HG22  ILE  21          HG22      ILE  21  21.104  13.423  -7.194
  160   HG23  ILE  21          HG23      ILE  21  21.776  12.704  -8.676
  161   HD11  ILE  21          HD11      ILE  21  18.410  11.499  -8.948
  162   HD12  ILE  21          HD12      ILE  21  18.251   9.763  -9.261
  163   HD13  ILE  21          HD13      ILE  21  18.148  10.376  -7.597
  164    H    LEU  22           H        LEU  22  21.896  11.600  -4.502
  165    HA   LEU  22           HA       LEU  22  23.358  14.002  -4.566
  166    HB2  LEU  22           HB2      LEU  22  21.697  13.198  -2.855
  167    HB3  LEU  22           HB3      LEU  22  22.902  12.061  -2.259
  168    HG   LEU  22           HG       LEU  22  24.373  14.019  -1.667
  169   HD11  LEU  22          HD11      LEU  22  23.250  16.223  -1.446
  170   HD12  LEU  22          HD12      LEU  22  23.377  15.738  -3.135
  171   HD13  LEU  22          HD13      LEU  22  21.819  15.577  -2.299
  172   HD21  LEU  22          HD21      LEU  22  23.038  12.861   0.008
  173   HD22  LEU  22          HD22      LEU  22  23.045  14.601   0.341
  174   HD23  LEU  22          HD23      LEU  22  21.615  13.838  -0.395
  175    H    ARG  23           H        ARG  23  24.516  10.715  -3.643
  176    HA   ARG  23           HA       ARG  23  27.250  11.499  -3.159
  177    HB2  ARG  23           HB2      ARG  23  26.155   9.468  -2.251
  178    HB3  ARG  23           HB3      ARG  23  26.068   8.770  -3.873
  179    HG2  ARG  23           HG2      ARG  23  28.545   8.770  -4.013
  180    HG3  ARG  23           HG3      ARG  23  28.644   9.543  -2.417
  181    HD2  ARG  23           HD2      ARG  23  27.538   7.578  -1.402
  182    HD3  ARG  23           HD3      ARG  23  27.423   6.813  -3.005
  183    HE   ARG  23           HE       ARG  23  30.147   7.502  -2.537
  184   HH11  ARG  23          HH21      ARG  23  27.825   5.198  -1.263
  185   HH12  ARG  23          HH22      ARG  23  29.068   4.062  -0.809
  186   HH21  ARG  23          HH11      ARG  23  31.675   6.014  -1.934
  187   HH22  ARG  23          HH12      ARG  23  31.197   4.525  -1.178
  188    H    TYR  24           H        TYR  24  25.689  10.036  -6.061
  189    HA   TYR  24           HA       TYR  24  28.012   9.853  -7.665
  190    HB2  TYR  24           HB2      TYR  24  25.969   8.674  -8.163
  191    HB3  TYR  24           HB3      TYR  24  25.062  10.175  -8.301
  192    HD1  TYR  24           HD2      TYR  24  28.097   8.549  -9.857
  193    HD2  TYR  24           HD1      TYR  24  24.523  10.905 -10.442
  194    HE1  TYR  24           HE2      TYR  24  28.523   8.587 -12.309
  195    HE2  TYR  24           HE1      TYR  24  24.955  10.926 -12.901
  196    HH   TYR  24           HH       TYR  24  27.789   9.306 -14.371
  197    H    THR  25           H        THR  25  25.703  12.599  -7.382
  198    HA   THR  25           HA       THR  25  27.189  14.172  -9.369
  199    HB   THR  25           HB       THR  25  25.559  15.918  -8.963
  200    HG1  THR  25           HG1      THR  25  24.266  14.150  -7.166
  201   HG21  THR  25          HG21      THR  25  24.233  13.184  -9.274
  202   HG22  THR  25          HG22      THR  25  23.550  14.743  -9.747
  203   HG23  THR  25          HG23      THR  25  24.991  14.125 -10.568
  204    H    ASN  26           H        ASN  26  27.621  13.683  -6.027
  205    HA   ASN  26           HA       ASN  26  28.833  14.688  -4.435
  206    HB2  ASN  26           HB2      ASN  26  30.414  13.875  -6.274
  207    HB3  ASN  26           HB3      ASN  26  30.660  15.565  -6.678
  208   HD21  ASN  26          HD22      ASN  26  31.270  16.955  -4.600
  209   HD22  ASN  26          HD21      ASN  26  32.481  16.177  -3.568
  210    H    SER  27           H        SER  27  26.677  16.222  -5.045
  211    HA   SER  27           HA       SER  27  27.646  18.959  -4.283
  212    HB2  SER  27           HB2      SER  27  26.845  18.743  -6.692
  213    HB3  SER  27           HB3      SER  27  25.227  18.458  -6.030
  214    HG   SER  27           HG       SER  27  26.913  20.752  -5.695
  215    H    THR  28           H        THR  28  25.341  20.225  -3.632
  216    HA   THR  28           HA       THR  28  24.680  18.846  -1.101
  217    HB   THR  28           HB       THR  28  23.822  20.917  -0.304
  218    HG1  THR  28           HG1      THR  28  23.844  22.754  -1.731
  219   HG21  THR  28          HG21      THR  28  26.276  21.640  -1.946
  220   HG22  THR  28          HG22      THR  28  25.724  22.384  -0.427
  221   HG23  THR  28          HG23      THR  28  26.329  20.714  -0.420
  222    H    GLU  29           H        GLU  29  22.482  18.793  -0.230
  223    HA   GLU  29           HA       GLU  29  20.557  17.701  -2.072
  224    HB2  GLU  29           HB2      GLU  29  20.113  18.819   0.730
  225    HB3  GLU  29           HB3      GLU  29  19.041  17.732  -0.165
  226    HG2  GLU  29           HG2      GLU  29  20.719  15.972  -0.157
  227    HG3  GLU  29           HG3      GLU  29  21.853  16.999   0.726
  228    H    GLN  30           H        GLN  30  21.032  20.997  -0.778
  229    HA   GLN  30           HA       GLN  30  18.638  22.142  -1.930
  230    HB2  GLN  30           HB2      GLN  30  21.310  23.372  -1.128
  231    HB3  GLN  30           HB3      GLN  30  19.912  24.296  -1.693
  232    HG2  GLN  30           HG2      GLN  30  18.544  23.419   0.179
  233    HG3  GLN  30           HG3      GLN  30  19.928  22.510   0.780
  234   HE21  GLN  30          HE22      GLN  30  18.953  24.061   2.673
  235   HE22  GLN  30          HE21      GLN  30  19.879  25.545   2.844
  236    H    GLN  31           H        GLN  31  22.042  21.887  -3.203
  237    HA   GLN  31           HA       GLN  31  21.392  23.136  -5.703
  238    HB2  GLN  31           HB2      GLN  31  23.602  21.270  -4.818
  239    HB3  GLN  31           HB3      GLN  31  23.507  21.898  -6.461
  240    HG2  GLN  31           HG2      GLN  31  23.506  23.793  -4.090
  241    HG3  GLN  31           HG3      GLN  31  24.998  23.155  -4.775
  242   HE21  GLN  31          HE22      GLN  31  22.155  25.258  -5.515
  243   HE22  GLN  31          HE21      GLN  31  22.947  25.995  -6.898
  244    H    PHE  32           H        PHE  32  21.080  19.705  -4.674
  245    HA   PHE  32           HA       PHE  32  20.313  18.792  -7.306
  246    HB2  PHE  32           HB2      PHE  32  21.170  17.303  -5.565
  247    HB3  PHE  32           HB3      PHE  32  19.796  17.675  -4.539
  248    HD1  PHE  32           HD1      PHE  32  19.151  17.072  -8.172
  249    HD2  PHE  32           HD2      PHE  32  19.484  15.249  -4.270
  250    HE1  PHE  32           HE1      PHE  32  17.888  15.109  -8.973
  251    HE2  PHE  32           HE2      PHE  32  18.256  13.268  -5.112
  252    HZ   PHE  32           HZ       PHE  32  17.405  13.214  -7.439
  253    H    LEU  33           H        LEU  33  18.334  19.964  -4.498
  254    HA   LEU  33           HA       LEU  33  15.814  19.696  -5.829
  255    HB2  LEU  33           HB2      LEU  33  16.143  19.952  -3.421
  256    HB3  LEU  33           HB3      LEU  33  16.758  21.579  -3.626
  257    HG   LEU  33           HG       LEU  33  14.449  21.383  -2.706
  258   HD11  LEU  33          HD11      LEU  33  15.258  23.466  -3.857
  259   HD12  LEU  33          HD12      LEU  33  14.396  22.925  -5.316
  260   HD13  LEU  33          HD13      LEU  33  13.506  23.239  -3.825
  261   HD21  LEU  33          HD21      LEU  33  12.554  20.937  -4.180
  262   HD22  LEU  33          HD22      LEU  33  13.636  20.575  -5.532
  263   HD23  LEU  33          HD23      LEU  33  13.612  19.516  -4.100
  264    H    GLU  34           H        GLU  34  18.107  22.436  -5.748
  265    HA   GLU  34           HA       GLU  34  16.599  24.214  -7.397
  266    HB2  GLU  34           HB2      GLU  34  19.568  23.916  -6.812
  267    HB3  GLU  34           HB3      GLU  34  18.930  25.203  -7.840
  268    HG2  GLU  34           HG2      GLU  34  17.582  26.085  -6.024
  269    HG3  GLU  34           HG3      GLU  34  18.055  24.776  -4.954
  270    H    ALA  35           H        ALA  35  19.049  21.755  -8.333
  271    HA   ALA  35           HA       ALA  35  18.922  22.343 -11.150
  272    HB1  ALA  35           HB1      ALA  35  20.790  21.137 -10.097
  273    HB2  ALA  35           HB2      ALA  35  19.710  19.780  -9.687
  274    HB3  ALA  35           HB3      ALA  35  20.061  20.168 -11.390
  275    H    MET  36           H        MET  36  17.064  20.039  -9.104
  276    HA   MET  36           HA       MET  36  15.493  18.921 -11.271
  277    HB2  MET  36           HB2      MET  36  15.159  19.123  -8.250
  278    HB3  MET  36           HB3      MET  36  13.945  18.364  -9.273
  279    HG2  MET  36           HG2      MET  36  16.854  17.524  -9.364
  280    HG3  MET  36           HG3      MET  36  15.730  16.842  -8.207
  281    HE1  MET  36           HE1      MET  36  13.310  14.671 -10.189
  282    HE2  MET  36           HE2      MET  36  13.966  15.161  -8.609
  283    HE3  MET  36           HE3      MET  36  13.015  16.310  -9.569
  284    H    GLU  37           H        GLU  37  14.840  21.705  -9.051
  285    HA   GLU  37           HA       GLU  37  12.300  22.348 -10.213
  286    HB2  GLU  37           HB2      GLU  37  13.122  23.118  -8.015
  287    HB3  GLU  37           HB3      GLU  37  14.337  24.131  -8.805
  288    HG2  GLU  37           HG2      GLU  37  12.558  25.481  -9.846
  289    HG3  GLU  37           HG3      GLU  37  11.322  24.402  -9.189
  290    H    SER  38           H        SER  38  15.631  23.433 -11.052
  291    HA   SER  38           HA       SER  38  14.834  25.280 -13.113
  292    HB2  SER  38           HB2      SER  38  17.453  23.753 -12.782
  293    HB3  SER  38           HB3      SER  38  17.193  25.170 -13.814
  294    HG   SER  38           HG       SER  38  17.108  24.998 -10.980
  295    H    THR  39           H        THR  39  15.025  21.783 -13.176
  296    HA   THR  39           HA       THR  39  14.891  21.775 -16.173
  297    HB   THR  39           HB       THR  39  15.728  19.462 -16.053
  298    HG1  THR  39           HG1      THR  39  16.355  20.008 -13.358
  299   HG21  THR  39          HG21      THR  39  18.048  19.974 -15.349
  300   HG22  THR  39          HG22      THR  39  17.368  21.250 -16.384
  301   HG23  THR  39          HG23      THR  39  17.499  21.503 -14.636
  302    H    GLY  40           H        GLY  40  12.751  21.622 -13.680
  303    HA2  GLY  40           HA2      GLY  40  10.500  21.162 -13.780
  304    HA3  GLY  40           HA3      GLY  40  10.697  20.537 -15.421
  305    H    GLY  41           H        GLY  41  12.550  19.231 -12.694
  306    HA2  GLY  41           HA2      GLY  41  12.352  17.295 -11.475
  307    HA3  GLY  41           HA3      GLY  41  10.722  17.042 -12.114
  308    H    ARG  42           H        ARG  42  13.082  17.357 -14.627
  309    HA   ARG  42           HA       ARG  42  12.933  14.454 -15.235
  310    HB2  ARG  42           HB2      ARG  42  13.829  16.955 -16.675
  311    HB3  ARG  42           HB3      ARG  42  14.555  15.430 -17.163
  312    HG2  ARG  42           HG2      ARG  42  11.541  15.746 -16.992
  313    HG3  ARG  42           HG3      ARG  42  12.476  16.189 -18.434
  314    HD2  ARG  42           HD2      ARG  42  13.420  13.853 -18.501
  315    HD3  ARG  42           HD3      ARG  42  12.336  13.425 -17.158
  316    HE   ARG  42           HE       ARG  42  10.811  14.636 -19.266
  317   HH11  ARG  42          HH22      ARG  42  12.386  11.559 -18.617
  318   HH12  ARG  42          HH21      ARG  42  11.320  10.700 -19.693
  319   HH21  ARG  42          HH12      ARG  42   9.512  13.473 -20.613
  320   HH22  ARG  42          HH11      ARG  42   9.746  11.760 -20.798
  321    H    VAL  43           H        VAL  43  14.104  13.317 -13.809
  322    HA   VAL  43           HA       VAL  43  16.340  14.189 -12.374
  323    HB   VAL  43           HB       VAL  43  15.627  11.334 -13.140
  324   HG11  VAL  43          HG11      VAL  43  17.412  12.402 -10.899
  325   HG12  VAL  43          HG12      VAL  43  16.845  10.722 -11.046
  326   HG13  VAL  43          HG13      VAL  43  17.930  11.384 -12.264
  327   HG21  VAL  43          HG21      VAL  43  14.529  11.274 -10.935
  328   HG22  VAL  43          HG22      VAL  43  14.971  12.969 -10.648
  329   HG23  VAL  43          HG23      VAL  43  13.803  12.546 -11.918
  330    H    ARG  44           H        ARG  44  16.452  12.449 -15.558
  331    HA   ARG  44           HA       ARG  44  19.295  12.270 -15.641
  332    HB2  ARG  44           HB2      ARG  44  19.071  11.756 -17.951
  333    HB3  ARG  44           HB3      ARG  44  17.802  10.951 -17.044
  334    HG2  ARG  44           HG2      ARG  44  16.156  12.720 -17.829
  335    HG3  ARG  44           HG3      ARG  44  17.455  13.421 -18.814
  336    HD2  ARG  44           HD2      ARG  44  16.445  10.562 -19.058
  337    HD3  ARG  44           HD3      ARG  44  15.931  11.917 -20.085
  338    HE   ARG  44           HE       ARG  44  18.683  11.944 -20.331
  339   HH11  ARG  44          HH12      ARG  44  16.242   9.534 -21.019
  340   HH12  ARG  44          HH11      ARG  44  17.194   8.782 -22.270
  341   HH21  ARG  44          HH22      ARG  44  19.874  10.923 -21.904
  342   HH22  ARG  44          HH21      ARG  44  19.202   9.568 -22.760
  343    H    ILE  45           H        ILE  45  17.196  14.947 -16.651
  344    HA   ILE  45           HA       ILE  45  19.405  16.485 -17.820
  345    HB   ILE  45           HB       ILE  45  16.632  17.486 -17.076
  346   HG12  ILE  45          HG12      ILE  45  17.593  16.267 -19.711
  347   HG13  ILE  45          HG13      ILE  45  16.420  15.546 -18.617
  348   HG21  ILE  45          HG21      ILE  45  18.626  18.502 -19.164
  349   HG22  ILE  45          HG22      ILE  45  17.096  19.268 -18.692
  350   HG23  ILE  45          HG23      ILE  45  18.440  19.219 -17.562
  351   HD11  ILE  45          HD11      ILE  45  15.190  16.484 -20.411
  352   HD12  ILE  45          HD12      ILE  45  14.901  17.526 -19.005
  353   HD13  ILE  45          HD13      ILE  45  16.017  18.038 -20.293
  354    H    ALA  46           H        ALA  46  17.649  16.403 -14.706
  355    HA   ALA  46           HA       ALA  46  18.893  18.657 -13.506
  356    HB1  ALA  46           HB1      ALA  46  17.856  16.114 -12.175
  357    HB2  ALA  46           HB2      ALA  46  18.082  17.701 -11.414
  358    HB3  ALA  46           HB3      ALA  46  16.849  17.480 -12.671
  359    H    ILE  47           H        ILE  47  19.844  15.144 -13.316
  360    HA   ILE  47           HA       ILE  47  22.235  15.772 -11.825
  361    HB   ILE  47           HB       ILE  47  22.908  13.503 -12.076
  362   HG12  ILE  47          HG12      ILE  47  20.738  13.208 -14.171
  363   HG13  ILE  47          HG13      ILE  47  22.476  13.052 -14.402
  364   HG21  ILE  47          HG21      ILE  47  21.076  12.461 -10.931
  365   HG22  ILE  47          HG22      ILE  47  21.089  14.175 -10.486
  366   HG23  ILE  47          HG23      ILE  47  19.896  13.564 -11.648
  367   HD11  ILE  47          HD11      ILE  47  20.678  11.160 -12.844
  368   HD12  ILE  47          HD12      ILE  47  21.529  10.852 -14.368
  369   HD13  ILE  47          HD13      ILE  47  22.456  11.060 -12.867
  370    H    ALA  48           H        ALA  48  21.648  15.408 -15.382
  371    HA   ALA  48           HA       ALA  48  24.337  15.747 -16.194
  372    HB1  ALA  48           HB1      ALA  48  22.540  15.085 -17.698
  373    HB2  ALA  48           HB2      ALA  48  21.701  16.627 -17.454
  374    HB3  ALA  48           HB3      ALA  48  23.266  16.582 -18.304
  375    H    LYS  49           H        LYS  49  21.868  18.313 -15.499
  376    HA   LYS  49           HA       LYS  49  23.630  20.521 -16.041
  377    HB2  LYS  49           HB2      LYS  49  21.073  20.486 -15.963
  378    HB3  LYS  49           HB3      LYS  49  21.190  20.465 -14.206
  379    HG2  LYS  49           HG2      LYS  49  20.814  22.724 -14.837
  380    HG3  LYS  49           HG3      LYS  49  22.511  22.652 -14.374
  381    HD2  LYS  49           HD2      LYS  49  23.125  22.489 -16.823
  382    HD3  LYS  49           HD3      LYS  49  21.399  22.606 -17.230
  383    HE2  LYS  49           HE2      LYS  49  21.321  24.819 -16.037
  384    HE3  LYS  49           HE3      LYS  49  23.059  24.677 -15.714
  385    HZ1  LYS  49           HZ1      LYS  49  22.621  26.033 -17.702
  386    HZ2  LYS  49           HZ2      LYS  49  23.434  24.688 -18.140
  387    HZ3  LYS  49           HZ3      LYS  49  21.827  24.811 -18.432
  388    H    LEU  50           H        LEU  50  22.843  18.793 -13.019
  389    HA   LEU  50           HA       LEU  50  24.422  20.434 -11.296
  390    HB2  LEU  50           HB2      LEU  50  22.519  18.903 -10.729
  391    HB3  LEU  50           HB3      LEU  50  23.571  17.521 -11.022
  392    HG   LEU  50           HG       LEU  50  24.989  18.164  -9.106
  393   HD11  LEU  50          HD11      LEU  50  23.017  20.488  -8.822
  394   HD12  LEU  50          HD12      LEU  50  24.133  19.954  -7.556
  395   HD13  LEU  50          HD13      LEU  50  24.778  20.599  -9.061
  396   HD21  LEU  50          HD21      LEU  50  22.006  18.188  -8.476
  397   HD22  LEU  50          HD22      LEU  50  22.950  16.737  -8.821
  398   HD23  LEU  50          HD23      LEU  50  23.311  17.685  -7.371
  399    H    LEU  51           H        LEU  51  25.297  17.486 -13.164
  400    HA   LEU  51           HA       LEU  51  28.049  17.413 -12.224
  401    HB2  LEU  51           HB2      LEU  51  26.591  16.256 -14.631
  402    HB3  LEU  51           HB3      LEU  51  28.311  16.002 -14.370
  403    HG   LEU  51           HG       LEU  51  26.217  15.203 -12.301
  404   HD11  LEU  51          HD11      LEU  51  26.531  12.907 -13.152
  405   HD12  LEU  51          HD12      LEU  51  25.838  13.964 -14.392
  406   HD13  LEU  51          HD13      LEU  51  27.561  13.519 -14.461
  407   HD21  LEU  51          HD21      LEU  51  29.146  14.470 -12.677
  408   HD22  LEU  51          HD22      LEU  51  28.456  15.425 -11.342
  409   HD23  LEU  51          HD23      LEU  51  28.054  13.708 -11.505
  410    H    SER  52           H        SER  52  26.443  19.062 -14.963
  411    HA   SER  52           HA       SER  52  28.802  19.982 -16.255
  412    HB2  SER  52           HB2      SER  52  26.045  21.260 -16.191
  413    HB3  SER  52           HB3      SER  52  27.357  21.696 -17.294
  414    HG   SER  52           HG       SER  52  26.047  19.167 -17.105
  415    H    LYS  53           H        LYS  53  27.339  21.186 -13.308
  416    HA   LYS  53           HA       LYS  53  28.890  23.669 -13.187
  417    HB2  LYS  53           HB2      LYS  53  27.350  22.074 -11.090
  418    HB3  LYS  53           HB3      LYS  53  28.183  23.593 -10.754
  419    HG2  LYS  53           HG2      LYS  53  26.831  24.763 -12.440
  420    HG3  LYS  53           HG3      LYS  53  25.946  23.271 -12.795
  421    HD2  LYS  53           HD2      LYS  53  25.144  23.161 -10.469
  422    HD3  LYS  53           HD3      LYS  53  26.039  24.619 -10.048
  423    HE2  LYS  53           HE2      LYS  53  23.829  24.496 -12.159
  424    HE3  LYS  53           HE3      LYS  53  23.559  24.929 -10.470
  425    HZ1  LYS  53           HZ1      LYS  53  25.289  26.466 -12.357
  426    HZ2  LYS  53           HZ2      LYS  53  23.831  26.924 -11.797
  427    HZ3  LYS  53           HZ3      LYS  53  25.092  26.825 -10.770
  428    H    GLN  54           H        GLN  54  29.943  20.508 -13.030
  429    HA   GLN  54           HA       GLN  54  31.712  19.406 -12.257
  430    HB2  GLN  54           HB2      GLN  54  32.735  21.199 -13.671
  431    HB3  GLN  54           HB3      GLN  54  33.188  22.038 -12.183
  432    HG2  GLN  54           HG2      GLN  54  34.500  20.013 -11.483
  433    HG3  GLN  54           HG3      GLN  54  34.013  19.202 -12.972
  434   HE21  GLN  54          HE22      GLN  54  34.814  20.157 -15.076
  435   HE22  GLN  54          HE21      GLN  54  36.309  21.081 -15.028
  436    H    THR  55           H        THR  55  30.133  19.282 -10.404
  437    HA   THR  55           HA       THR  55  29.810  18.841  -8.205
  438    HB   THR  55           HB       THR  55  31.557  17.573  -7.166
  439    HG1  THR  55           HG1      THR  55  33.382  18.849  -7.583
  440   HG21  THR  55          HG21      THR  55  30.371  16.618  -9.177
  441   HG22  THR  55          HG22      THR  55  31.721  17.180 -10.190
  442   HG23  THR  55          HG23      THR  55  32.004  15.967  -8.928
  443    H    SER  56           H        SER  56  29.939  21.618  -8.400
  444    HA   SER  56           HA       SER  56  31.449  22.796  -6.264
  445    HB2  SER  56           HB2      SER  56  28.832  23.663  -7.554
  446    HB3  SER  56           HB3      SER  56  29.783  24.648  -6.423
  447    HG   SER  56           HG       SER  56  30.310  25.142  -8.602
  448    H    GLY  57           H        GLY  57  30.720  23.608  -4.235
  449    HA2  GLY  57           HA2      GLY  57  29.373  23.723  -2.314
  450    HA3  GLY  57           HA3      GLY  57  28.262  22.546  -2.995
  451    H    GLY  58           H        GLY  58  28.452  21.905  -0.654
  452    HA2  GLY  58           HA2      GLY  58  28.992  20.111   0.775
  453    HA3  GLY  58           HA3      GLY  58  30.378  19.693  -0.223
  454    H    SER  59           H        SER  59  30.731  19.666   2.438
  455    HA   SER  59           HA       SER  59  32.541  21.929   3.037
  456    HB2  SER  59           HB2      SER  59  31.472  22.361   5.207
  457    HB3  SER  59           HB3      SER  59  30.373  22.693   3.861
  458    HG   SER  59           HG       SER  59  29.344  21.502   5.554
  459    H    GLY  60           H        GLY  60  33.801  21.636   5.005
  460    HA2  GLY  60           HA2      GLY  60  35.028  20.454   6.561
  461    HA3  GLY  60           HA3      GLY  60  34.017  19.042   6.305
  462    H    GLY  61           H        GLY  61  36.513  18.483   6.743
  463    HA2  GLY  61           HA2      GLY  61  38.235  18.304   4.386
  464    HA3  GLY  61           HA3      GLY  61  38.507  17.580   5.965
  465    H    SER  62           H        SER  62  39.316  15.967   4.185
  466    HA   SER  62           HA       SER  62  37.367  14.220   2.951
  467    HB2  SER  62           HB2      SER  62  39.291  12.799   2.444
  468    HB3  SER  62           HB3      SER  62  39.624  14.495   2.058
  469    HG   SER  62           HG       SER  62  41.400  13.697   3.147
  470    H    LYS  63           H        LYS  63  36.928  12.043   3.446
  471    HA   LYS  63           HA       LYS  63  36.113  10.408   4.783
  472    HB2  LYS  63           HB2      LYS  63  37.944   9.025   5.758
  473    HB3  LYS  63           HB3      LYS  63  38.114   9.515   4.094
  474    HG2  LYS  63           HG2      LYS  63  40.258   9.609   5.070
  475    HG3  LYS  63           HG3      LYS  63  39.759  11.245   4.722
  476    HD2  LYS  63           HD2      LYS  63  39.115  11.405   7.251
  477    HD3  LYS  63           HD3      LYS  63  39.895   9.839   7.421
  478    HE2  LYS  63           HE2      LYS  63  41.529  11.430   8.031
  479    HE3  LYS  63           HE3      LYS  63  42.001  10.881   6.423
  480    HZ1  LYS  63           HZ1      LYS  63  41.021  12.945   5.505
  481    HZ2  LYS  63           HZ2      LYS  63  40.507  13.403   6.985
  482    HZ3  LYS  63           HZ3      LYS  63  42.110  13.327   6.663
  483    H    LEU  64           H        LEU  64  35.502  12.807   6.054
  484    HA   LEU  64           HA       LEU  64  35.776  12.491   8.913
  485    HB2  LEU  64           HB2      LEU  64  34.153  14.355   9.042
  486    HB3  LEU  64           HB3      LEU  64  35.600  14.657   8.105
  487    HG   LEU  64           HG       LEU  64  34.305  14.379   5.988
  488   HD11  LEU  64          HD11      LEU  64  31.815  14.601   6.108
  489   HD12  LEU  64          HD12      LEU  64  32.392  13.031   6.646
  490   HD13  LEU  64          HD13      LEU  64  31.896  14.247   7.848
  491   HD21  LEU  64          HD21      LEU  64  33.182  16.551   6.163
  492   HD22  LEU  64          HD22      LEU  64  33.194  16.444   7.940
  493   HD23  LEU  64          HD23      LEU  64  34.720  16.586   7.038
  494    H    GLY  65           H        GLY  65  33.942  12.368  10.437
  495    HA2  GLY  65           HA2      GLY  65  32.549   9.858  10.099
  496    HA3  GLY  65           HA3      GLY  65  32.441  10.945  11.477
  497    H    GLY  66           H        GLY  66  30.311   9.447  10.219
  498    HA2  GLY  66           HA2      GLY  66  28.588  11.196   8.671
  499    HA3  GLY  66           HA3      GLY  66  28.153   9.655   9.392
  500    H    SER  67           H        SER  67  26.375  11.712   9.321
  501    HA   SER  67           HA       SER  67  25.965  12.460  12.185
  502    HB2  SER  67           HB2      SER  67  25.554  14.271   9.777
  503    HB3  SER  67           HB3      SER  67  25.046  14.639  11.433
  504    HG   SER  67           HG       SER  67  27.092  15.578  10.902
  505    H    GLY  68           H        GLY  68  23.774  12.776  12.817
  506    HA2  GLY  68           HA2      GLY  68  21.855  10.982  11.630
  507    HA3  GLY  68           HA3      GLY  68  21.565  12.103  12.955
  508    H    GLY  69           H        GLY  69  19.711  11.512  10.901
  509    HA2  GLY  69           HA2      GLY  69  18.745  14.074  10.143
  510    HA3  GLY  69           HA3      GLY  69  19.589  13.377   8.759
  511    H    SER  70           H        SER  70  17.211  13.778   8.075
  512    HA   SER  70           HA       SER  70  15.175  13.025   7.418
  513    HB2  SER  70           HB2      SER  70  16.631  10.369   7.351
  514    HB3  SER  70           HB3      SER  70  15.164  10.786   6.447
  515    HG   SER  70           HG       SER  70  17.113  11.054   5.210
  516    H    ARG  71           H        ARG  71  15.145  13.335  10.165
  517    HA   ARG  71           HA       ARG  71  14.033  10.993  11.507
  518    HB2  ARG  71           HB2      ARG  71  14.235  13.911  12.371
  519    HB3  ARG  71           HB3      ARG  71  13.702  12.584  13.405
  520    HG2  ARG  71           HG2      ARG  71  15.914  11.443  13.068
  521    HG3  ARG  71           HG3      ARG  71  16.452  12.826  12.110
  522    HD2  ARG  71           HD2      ARG  71  17.327  13.092  14.318
  523    HD3  ARG  71           HD3      ARG  71  16.069  14.318  14.071
  524    HE   ARG  71           HE       ARG  71  15.005  11.914  15.305
  525   HH11  ARG  71          HH11      ARG  71  16.846  14.772  16.156
  526   HH12  ARG  71          HH12      ARG  71  16.330  14.722  17.819
  527   HH21  ARG  71          HH21      ARG  71  14.370  11.918  17.436
  528   HH22  ARG  71          HH22      ARG  71  14.963  13.143  18.518
  529    H    LYS  72           H        LYS  72  12.550  13.529   9.684
  530    HA   LYS  72           HA       LYS  72   9.928  13.424  10.888
  531    HB2  LYS  72           HB2      LYS  72  10.735  15.374   9.621
  532    HB3  LYS  72           HB3      LYS  72  10.871  14.401   8.161
  533    HG2  LYS  72           HG2      LYS  72   8.910  15.772   8.013
  534    HG3  LYS  72           HG3      LYS  72   8.420  14.089   8.117
  535    HD2  LYS  72           HD2      LYS  72   7.945  14.477  10.613
  536    HD3  LYS  72           HD3      LYS  72   8.378  16.168  10.353
  537    HE2  LYS  72           HE2      LYS  72   6.018  16.103  10.262
  538    HE3  LYS  72           HE3      LYS  72   6.552  16.279   8.586
  539    HZ1  LYS  72           HZ1      LYS  72   4.809  14.580   8.810
  540    HZ2  LYS  72           HZ2      LYS  72   6.189  13.836   8.326
  541    HZ3  LYS  72           HZ3      LYS  72   5.709  13.715   9.878
  542    H    ASP  73           H        ASP  73   8.196  12.174  10.500
  543    HA   ASP  73           HA       ASP  73   8.441   9.741   8.953
  544    HB2  ASP  73           HB2      ASP  73   6.331   9.161   9.855
  545    HB3  ASP  73           HB3      ASP  73   7.248   9.931  11.142
  546    H    LEU  74           H        LEU  74   7.195   9.052   7.191
  547    HA   LEU  74           HA       LEU  74   5.417  10.881   5.784
  548    HB2  LEU  74           HB2      LEU  74   6.557  11.058   3.760
  549    HB3  LEU  74           HB3      LEU  74   7.735  11.493   4.974
  550    HG   LEU  74           HG       LEU  74   7.602   8.838   3.466
  551   HD11  LEU  74          HD11      LEU  74   8.276  10.795   2.103
  552   HD12  LEU  74          HD12      LEU  74   9.561  11.160   3.269
  553   HD13  LEU  74          HD13      LEU  74   9.614   9.652   2.333
  554   HD21  LEU  74          HD21      LEU  74   9.672   9.846   5.465
  555   HD22  LEU  74          HD22      LEU  74   8.648   8.398   5.623
  556   HD23  LEU  74          HD23      LEU  74   9.900   8.451   4.385
  557    H    SER  75           H        SER  75   4.243   9.870   4.005
  558    HA   SER  75           HA       SER  75   3.377   7.221   4.636
  559    HB2  SER  75           HB2      SER  75   2.835   8.857   2.130
  560    HB3  SER  75           HB3      SER  75   1.929   7.428   2.672
  561    HG   SER  75           HG       SER  75   0.906   9.392   3.328
  562    H    VAL  76           H        VAL  76   3.661   5.244   3.660
  563    HA   VAL  76           HA       VAL  76   6.286   4.861   2.559
  564    HB   VAL  76           HB       VAL  76   5.771   2.452   2.587
  565   HG11  VAL  76          HG11      VAL  76   5.602   2.256   5.004
  566   HG12  VAL  76          HG12      VAL  76   6.630   3.634   4.581
  567   HG13  VAL  76          HG13      VAL  76   4.962   3.907   5.136
  568   HG21  VAL  76          HG21      VAL  76   3.363   2.434   2.071
  569   HG22  VAL  76          HG22      VAL  76   3.704   1.614   3.590
  570   HG23  VAL  76          HG23      VAL  76   3.012   3.244   3.617
  571    H    LYS  77           H        LYS  77   3.147   4.872   0.994
  572    HA   LYS  77           HA       LYS  77   4.382   5.081  -1.645
  573    HB2  LYS  77           HB2      LYS  77   3.313   3.150  -2.660
  574    HB3  LYS  77           HB3      LYS  77   4.296   2.623  -1.305
  575    HG2  LYS  77           HG2      LYS  77   2.156   2.589   0.103
  576    HG3  LYS  77           HG3      LYS  77   1.258   2.843  -1.402
  577    HD2  LYS  77           HD2      LYS  77   2.206   0.774  -2.351
  578    HD3  LYS  77           HD3      LYS  77   3.222   0.562  -0.911
  579    HE2  LYS  77           HE2      LYS  77   1.093   0.490   0.480
  580    HE3  LYS  77           HE3      LYS  77   0.175   0.456  -1.035
  581    HZ1  LYS  77           HZ1      LYS  77   2.207  -1.557  -0.188
  582    HZ2  LYS  77           HZ2      LYS  77   0.586  -1.791  -0.178
  583    HZ3  LYS  77           HZ3      LYS  77   1.369  -1.620  -1.604
  584    H    GLY  78           H        GLY  78   2.736   5.354  -3.387
  585    HA2  GLY  78           HA2      GLY  78   0.025   6.095  -2.832
  586    HA3  GLY  78           HA3      GLY  78   1.029   7.548  -2.899
  587    H    MET  79           H        MET  79  -0.868   7.509  -4.697
  588    HA   MET  79           HA       MET  79  -0.549   5.960  -7.051
  589    HB2  MET  79           HB2      MET  79  -1.905   8.655  -6.630
  590    HB3  MET  79           HB3      MET  79  -2.048   7.676  -8.095
  591    HG2  MET  79           HG2      MET  79  -3.018   5.818  -6.810
  592    HG3  MET  79           HG3      MET  79  -2.841   6.729  -5.316
  593    HE1  MET  79           HE1      MET  79  -4.214   7.870  -8.944
  594    HE2  MET  79           HE2      MET  79  -4.845   6.234  -8.626
  595    HE3  MET  79           HE3      MET  79  -5.944   7.627  -8.644
  596    H    LEU  80           H        LEU  80   1.132   8.909  -6.153
  597    HA   LEU  80           HA       LEU  80   1.908   9.850  -8.682
  598    HB2  LEU  80           HB2      LEU  80   2.037  11.006  -6.451
  599    HB3  LEU  80           HB3      LEU  80   3.434  10.008  -6.048
  600    HG   LEU  80           HG       LEU  80   4.726  11.065  -7.879
  601   HD11  LEU  80          HD11      LEU  80   2.185  12.685  -8.336
  602   HD12  LEU  80          HD12      LEU  80   3.775  13.119  -8.987
  603   HD13  LEU  80          HD13      LEU  80   2.999  11.622  -9.505
  604   HD21  LEU  80          HD21      LEU  80   3.346  13.097  -6.088
  605   HD22  LEU  80          HD22      LEU  80   4.706  12.061  -5.609
  606   HD23  LEU  80          HD23      LEU  80   4.929  13.281  -6.879
  607    H    TYR  81           H        TYR  81   2.996   6.931  -7.188
  608    HA   TYR  81           HA       TYR  81   5.549   6.556  -8.397
  609    HB2  TYR  81           HB2      TYR  81   4.638   5.098  -6.679
  610    HB3  TYR  81           HB3      TYR  81   3.282   4.658  -7.708
  611    HD1  TYR  81           HD1      TYR  81   7.062   4.583  -7.770
  612    HD2  TYR  81           HD2      TYR  81   3.373   2.614  -8.837
  613    HE1  TYR  81           HE1      TYR  81   8.348   2.641  -8.644
  614    HE2  TYR  81           HE2      TYR  81   4.658   0.682  -9.715
  615    HH   TYR  81           HH       TYR  81   6.743  -0.236 -10.075
  616    H    ASP  82           H        ASP  82   2.367   6.728  -9.937
  617    HA   ASP  82           HA       ASP  82   3.058   5.346 -12.359
  618    HB2  ASP  82           HB2      ASP  82   1.060   6.010 -13.187
  619    HB3  ASP  82           HB3      ASP  82   0.721   6.038 -11.468
  620    H    SER  83           H        SER  83   4.054   8.376 -11.147
  621    HA   SER  83           HA       SER  83   5.643   8.944 -13.598
  622    HB2  SER  83           HB2      SER  83   4.064  10.992 -11.988
  623    HB3  SER  83           HB3      SER  83   5.366  11.401 -13.120
  624    HG   SER  83           HG       SER  83   3.251  11.502 -14.087
  625    H    ASP  84           H        ASP  84   7.054   7.556 -12.159
  626    HA   ASP  84           HA       ASP  84   7.678   8.256  -9.551
  627    HB2  ASP  84           HB2      ASP  84   8.101   6.083 -10.713
  628    HB3  ASP  84           HB3      ASP  84   9.518   6.818 -11.475
  629    H    SER  85           H        SER  85   9.107   9.699 -12.447
  630    HA   SER  85           HA       SER  85  11.360  11.038 -11.278
  631    HB2  SER  85           HB2      SER  85  10.936  12.681 -13.166
  632    HB3  SER  85           HB3      SER  85  11.068  10.989 -13.664
  633    HG   SER  85           HG       SER  85   9.246  12.009 -14.646
  634    H    GLN  86           H        GLN  86   7.896  11.887 -11.420
  635    HA   GLN  86           HA       GLN  86   8.195  14.380  -9.935
  636    HB2  GLN  86           HB2      GLN  86   5.704  12.756 -10.564
  637    HB3  GLN  86           HB3      GLN  86   5.754  14.374  -9.854
  638    HG2  GLN  86           HG2      GLN  86   6.886  15.241 -11.884
  639    HG3  GLN  86           HG3      GLN  86   6.799  13.640 -12.625
  640   HE21  GLN  86          HE22      GLN  86   5.696  15.425 -14.201
  641   HE22  GLN  86          HE21      GLN  86   3.943  15.443 -14.053
  642    H    GLN  87           H        GLN  87   7.550  10.955  -9.036
  643    HA   GLN  87           HA       GLN  87   7.014  11.565  -6.265
  644    HB2  GLN  87           HB2      GLN  87   6.390   9.410  -7.231
  645    HB3  GLN  87           HB3      GLN  87   8.095   9.014  -7.500
  646    HG2  GLN  87           HG2      GLN  87   8.554   8.981  -5.133
  647    HG3  GLN  87           HG3      GLN  87   6.963   9.648  -4.752
  648   HE21  GLN  87          HE22      GLN  87   8.102   6.752  -6.757
  649   HE22  GLN  87          HE21      GLN  87   7.151   5.657  -5.755
  650    H    ILE  88           H        ILE  88  10.133  10.850  -7.971
  651    HA   ILE  88           HA       ILE  88  11.772  11.210  -5.634
  652    HB   ILE  88           HB       ILE  88  12.282  11.281  -8.614
  653   HG12  ILE  88          HG12      ILE  88  14.026   9.605  -7.963
  654   HG13  ILE  88          HG13      ILE  88  13.539   9.773  -6.280
  655   HG21  ILE  88          HG21      ILE  88  14.707  11.741  -8.193
  656   HG22  ILE  88          HG22      ILE  88  13.695  13.136  -7.880
  657   HG23  ILE  88          HG23      ILE  88  14.317  12.180  -6.514
  658   HD11  ILE  88          HD11      ILE  88  11.278   8.831  -6.920
  659   HD12  ILE  88          HD12      ILE  88  11.907   8.628  -8.577
  660   HD13  ILE  88          HD13      ILE  88  12.633   7.732  -7.240
  661    H    LEU  89           H        LEU  89  10.742  13.619  -8.127
  662    HA   LEU  89           HA       LEU  89  11.884  15.873  -6.873
  663    HB2  LEU  89           HB2      LEU  89  10.814  15.921  -9.132
  664    HB3  LEU  89           HB3      LEU  89   9.253  15.589  -8.402
  665    HG   LEU  89           HG       LEU  89   9.287  17.797  -7.253
  666   HD11  LEU  89          HD11      LEU  89  11.741  18.352  -8.967
  667   HD12  LEU  89          HD12      LEU  89  10.885  19.510  -7.940
  668   HD13  LEU  89          HD13      LEU  89  11.759  18.171  -7.189
  669   HD21  LEU  89          HD21      LEU  89   8.170  17.497  -9.429
  670   HD22  LEU  89          HD22      LEU  89   8.844  19.124  -9.256
  671   HD23  LEU  89          HD23      LEU  89   9.675  17.924 -10.266
  672    H    ASN  90           H        ASN  90   8.616  14.489  -6.232
  673    HA   ASN  90           HA       ASN  90   7.877  16.370  -4.248
  674    HB2  ASN  90           HB2      ASN  90   6.265  14.909  -5.338
  675    HB3  ASN  90           HB3      ASN  90   7.090  13.461  -4.745
  676   HD21  ASN  90          HD22      ASN  90   5.059  16.226  -3.718
  677   HD22  ASN  90          HD21      ASN  90   4.592  15.456  -2.210
  678    H    ARG  91           H        ARG  91   9.493  13.136  -3.776
  679    HA   ARG  91           HA       ARG  91   9.734  13.531  -0.885
  680    HB2  ARG  91           HB2      ARG  91  10.722  11.540  -2.920
  681    HB3  ARG  91           HB3      ARG  91  11.673  11.696  -1.447
  682    HG2  ARG  91           HG2      ARG  91   9.940   9.906  -1.333
  683    HG3  ARG  91           HG3      ARG  91   9.868  11.091  -0.029
  684    HD2  ARG  91           HD2      ARG  91   7.975  12.214  -1.054
  685    HD3  ARG  91           HD3      ARG  91   8.054  11.148  -2.472
  686    HE   ARG  91           HE       ARG  91   7.800   9.441  -0.251
  687   HH11  ARG  91          HH11      ARG  91   5.777  11.966  -1.658
  688   HH12  ARG  91          HH12      ARG  91   4.311  11.200  -1.122
  689   HH21  ARG  91          HH21      ARG  91   5.826   8.608   0.550
  690   HH22  ARG  91          HH22      ARG  91   4.354   9.350   0.010
  691    H    LEU  92           H        LEU  92  11.927  14.386  -3.599
  692    HA   LEU  92           HA       LEU  92  14.029  15.283  -1.855
  693    HB2  LEU  92           HB2      LEU  92  14.259  14.776  -4.287
  694    HB3  LEU  92           HB3      LEU  92  13.258  16.176  -4.668
  695    HG   LEU  92           HG       LEU  92  15.006  17.671  -3.644
  696   HD11  LEU  92          HD11      LEU  92  16.637  15.101  -3.521
  697   HD12  LEU  92          HD12      LEU  92  17.263  16.752  -3.279
  698   HD13  LEU  92          HD13      LEU  92  16.119  16.067  -2.116
  699   HD21  LEU  92          HD21      LEU  92  16.618  17.351  -5.511
  700   HD22  LEU  92          HD22      LEU  92  15.890  15.773  -5.856
  701   HD23  LEU  92          HD23      LEU  92  14.932  17.261  -6.045
  702    H    ARG  93           H        ARG  93  11.148  17.003  -3.199
  703    HA   ARG  93           HA       ARG  93  11.818  19.587  -2.139
  704    HB2  ARG  93           HB2      ARG  93  10.068  19.056  -3.913
  705    HB3  ARG  93           HB3      ARG  93   9.029  18.441  -2.622
  706    HG2  ARG  93           HG2      ARG  93   9.317  20.790  -1.518
  707    HG3  ARG  93           HG3      ARG  93  10.069  21.273  -3.044
  708    HD2  ARG  93           HD2      ARG  93   7.797  21.934  -3.191
  709    HD3  ARG  93           HD3      ARG  93   7.936  20.486  -4.209
  710    HE   ARG  93           HE       ARG  93   7.170  19.738  -1.514
  711   HH11  ARG  93          HH11      ARG  93   5.658  21.268  -4.300
  712   HH12  ARG  93          HH12      ARG  93   4.064  20.828  -3.744
  713   HH21  ARG  93          HH21      ARG  93   5.290  19.283  -0.888
  714   HH22  ARG  93          HH22      ARG  93   3.827  19.699  -1.795
  715    H    GLU  94           H        GLU  94   9.746  16.972  -0.729
  716    HA   GLU  94           HA       GLU  94   9.258  18.459   1.693
  717    HB2  GLU  94           HB2      GLU  94   9.162  15.448   1.258
  718    HB3  GLU  94           HB3      GLU  94   8.483  16.329   2.625
  719    HG2  GLU  94           HG2      GLU  94   7.583  16.456  -0.275
  720    HG3  GLU  94           HG3      GLU  94   6.712  15.765   1.077
  721    H    ARG  95           H        ARG  95  11.749  15.971   0.918
  722    HA   ARG  95           HA       ARG  95  12.981  15.911   3.488
  723    HB2  ARG  95           HB2      ARG  95  13.283  14.197   1.791
  724    HB3  ARG  95           HB3      ARG  95  14.031  15.348   0.683
  725    HG2  ARG  95           HG2      ARG  95  15.982  15.580   2.086
  726    HG3  ARG  95           HG3      ARG  95  15.256  14.581   3.371
  727    HD2  ARG  95           HD2      ARG  95  15.431  12.602   2.095
  728    HD3  ARG  95           HD3      ARG  95  15.615  13.479   0.565
  729    HE   ARG  95           HE       ARG  95  17.843  14.312   1.886
  730   HH11  ARG  95          HH11      ARG  95  16.751  10.942   1.465
  731   HH12  ARG  95          HH12      ARG  95  18.433  10.425   1.439
  732   HH21  ARG  95          HH21      ARG  95  19.718  13.551   1.813
  733   HH22  ARG  95          HH22      ARG  95  20.067  11.816   1.549
  734    H    VAL  96           H        VAL  96  13.651  18.089   0.708
  735    HA   VAL  96           HA       VAL  96  15.837  19.408   2.150
  736    HB   VAL  96           HB       VAL  96  14.515  19.964  -0.525
  737   HG11  VAL  96          HG11      VAL  96  16.938  21.322   0.741
  738   HG12  VAL  96          HG12      VAL  96  16.480  21.431  -0.975
  739   HG13  VAL  96          HG13      VAL  96  15.409  22.101   0.254
  740   HG21  VAL  96          HG21      VAL  96  17.239  18.872   0.307
  741   HG22  VAL  96          HG22      VAL  96  15.918  17.884  -0.338
  742   HG23  VAL  96          HG23      VAL  96  16.691  19.094  -1.369
  743    H    SER  97           H        SER  97  12.505  20.451   1.193
  744    HA   SER  97           HA       SER  97  12.925  23.022   2.490
  745    HB2  SER  97           HB2      SER  97  10.454  21.883   1.158
  746    HB3  SER  97           HB3      SER  97  10.695  23.557   1.679
  747    HG   SER  97           HG       SER  97  11.218  23.362  -0.528
  748    H    GLY  98           H        GLY  98  11.485  19.978   3.530
  749    HA2  GLY  98           HA2      GLY  98  10.696  19.391   5.617
  750    HA3  GLY  98           HA3      GLY  98  10.791  21.062   6.167
  751    H    SER  99           H        SER  99   8.652  19.317   6.755
  752    HA   SER  99           HA       SER  99   6.412  19.669   4.988
  753    HB2  SER  99           HB2      SER  99   6.380  18.937   7.940
  754    HB3  SER  99           HB3      SER  99   5.120  18.594   6.744
  755    HG   SER  99           HG       SER  99   6.639  17.238   5.649
  756    H    THR 100           H        THR 100   7.688  21.745   7.473
  757    HA   THR 100           HA       THR 100   5.640  23.767   6.991
  758    HB   THR 100           HB       THR 100   4.623  22.341   8.765
  759    HG1  THR 100           HG1      THR 100   4.031  24.101  10.001
  760   HG21  THR 100          HG21      THR 100   6.853  23.386  10.566
  761   HG22  THR 100          HG22      THR 100   5.439  22.436  11.061
  762   HG23  THR 100          HG23      THR 100   6.671  21.700  10.026
  763    H    ALA 101           H        ALA 101   6.160  25.803   8.260
  764    HA   ALA 101           HA       ALA 101   9.000  26.157   8.968
  765    HB1  ALA 101           HB1      ALA 101   7.667  27.734   6.721
  766    HB2  ALA 101           HB2      ALA 101   9.293  28.024   7.382
  767    HB3  ALA 101           HB3      ALA 101   8.945  26.515   6.521
  768    H    GLN 102           H        GLN 102   9.448  28.175  10.021
  769    HA   GLN 102           HA       GLN 102   7.089  29.318  11.465
  770    HB2  GLN 102           HB2      GLN 102   9.985  29.028  12.350
  771    HB3  GLN 102           HB3      GLN 102   8.728  29.879  13.236
  772    HG2  GLN 102           HG2      GLN 102   8.868  27.787  14.284
  773    HG3  GLN 102           HG3      GLN 102   7.398  27.715  13.319
  774   HE21  GLN 102          HE22      GLN 102  10.923  26.812  13.189
  775   HE22  GLN 102          HE21      GLN 102  10.630  25.343  12.268
  776    H    SER 103           H        SER 103   7.083  31.555  12.019
  777    HA   SER 103           HA       SER 103   8.013  33.278   9.866
  778    HB2  SER 103           HB2      SER 103   6.727  35.009  11.089
  779    HB3  SER 103           HB3      SER 103   5.787  33.547  10.737
  780    HG   SER 103           HG       SER 103   5.497  34.268  12.917
  781    H    ALA 104           H        ALA 104   9.402  32.409  12.879
  782    HA   ALA 104           HA       ALA 104  11.499  34.476  12.626
  783    HB1  ALA 104           HB1      ALA 104   9.877  35.414  14.237
  784    HB2  ALA 104           HB2      ALA 104   9.972  33.930  15.212
  785    HB3  ALA 104           HB3      ALA 104  11.396  34.978  15.040
  Start of MODEL   12
    1    H1   SER   1           H1       SER   1  11.798   9.836  26.078
    2    H2   SER   1           H2       SER   1  12.088  11.316  25.446
    3    H3   SER   1           H3       SER   1  10.576  10.684  25.386
    4    HA   SER   1           HA       SER   1  11.582  10.553  23.226
    5    HB2  SER   1           HB2      SER   1  13.746   8.894  24.587
    6    HB3  SER   1           HB3      SER   1  13.620   9.261  22.855
    7    HG   SER   1           HG       SER   1  15.045  10.706  23.931
    8    H    VAL   2           H        VAL   2  11.257   8.758  21.764
    9    HA   VAL   2           HA       VAL   2  10.199   6.225  22.935
   10    HB   VAL   2           HB       VAL   2   8.385   6.192  21.277
   11   HG11  VAL   2          HG11      VAL   2   8.198   8.619  23.100
   12   HG12  VAL   2          HG12      VAL   2   6.858   7.673  22.427
   13   HG13  VAL   2          HG13      VAL   2   7.959   6.930  23.599
   14   HG21  VAL   2          HG21      VAL   2   9.257   7.796  19.600
   15   HG22  VAL   2          HG22      VAL   2   7.628   8.218  20.144
   16   HG23  VAL   2          HG23      VAL   2   9.021   9.129  20.756
   17    H    SER   3           H        SER   3  10.138   4.418  21.453
   18    HA   SER   3           HA       SER   3  12.466   4.294  19.700
   19    HB2  SER   3           HB2      SER   3  11.774   1.930  19.407
   20    HB3  SER   3           HB3      SER   3  11.960   2.398  21.105
   21    HG   SER   3           HG       SER   3  10.024   1.203  20.765
   22    H    ILE   4           H        ILE   4  12.405   3.468  17.515
   23    HA   ILE   4           HA       ILE   4  10.524   5.075  15.941
   24    HB   ILE   4           HB       ILE   4  12.854   3.401  14.959
   25   HG12  ILE   4          HG12      ILE   4  13.842   4.938  16.489
   26   HG13  ILE   4          HG13      ILE   4  14.140   5.534  14.873
   27   HG21  ILE   4          HG21      ILE   4  12.785   4.975  13.022
   28   HG22  ILE   4          HG22      ILE   4  11.330   3.990  13.156
   29   HG23  ILE   4          HG23      ILE   4  11.297   5.690  13.675
   30   HD11  ILE   4          HD11      ILE   4  12.097   6.629  16.858
   31   HD12  ILE   4          HD12      ILE   4  13.611   7.386  16.347
   32   HD13  ILE   4          HD13      ILE   4  12.287   7.213  15.186
   33    H    LEU   5           H        LEU   5   8.906   4.387  14.694
   34    HA   LEU   5           HA       LEU   5   8.518   1.494  14.096
   35    HB2  LEU   5           HB2      LEU   5   6.443   3.427  15.215
   36    HB3  LEU   5           HB3      LEU   5   6.061   1.843  14.552
   37    HG   LEU   5           HG       LEU   5   7.832   2.296  16.999
   38   HD11  LEU   5          HD11      LEU   5   5.901   1.492  18.286
   39   HD12  LEU   5          HD12      LEU   5   5.505   2.975  17.404
   40   HD13  LEU   5          HD13      LEU   5   4.926   1.407  16.797
   41   HD21  LEU   5          HD21      LEU   5   6.584  -0.251  15.853
   42   HD22  LEU   5          HD22      LEU   5   8.319   0.143  15.869
   43   HD23  LEU   5          HD23      LEU   5   7.465  -0.125  17.391
   44    H    ARG   6           H        ARG   6   7.404   1.057  12.196
   45    HA   ARG   6           HA       ARG   6   6.770   3.303  10.324
   46    HB2  ARG   6           HB2      ARG   6   8.643   0.957   9.779
   47    HB3  ARG   6           HB3      ARG   6   7.953   1.979   8.515
   48    HG2  ARG   6           HG2      ARG   6   9.050   3.968   9.458
   49    HG3  ARG   6           HG3      ARG   6   9.749   2.989  10.764
   50    HD2  ARG   6           HD2      ARG   6  10.991   1.640   9.160
   51    HD3  ARG   6           HD3      ARG   6  10.269   2.532   7.803
   52    HE   ARG   6           HE       ARG   6  11.403   4.530   9.317
   53   HH11  ARG   6          HH21      ARG   6  12.793   1.621   7.923
   54   HH12  ARG   6          HH22      ARG   6  14.376   2.335   7.793
   55   HH21  ARG   6          HH11      ARG   6  13.446   5.372   9.124
   56   HH22  ARG   6          HH12      ARG   6  14.728   4.415   8.450
   57    H    SER   7           H        SER   7   5.139   2.942   8.917
   58    HA   SER   7           HA       SER   7   3.535   0.462   9.158
   59    HB2  SER   7           HB2      SER   7   1.836   1.775   7.944
   60    HB3  SER   7           HB3      SER   7   2.383   2.567   9.431
   61    HG   SER   7           HG       SER   7   2.291   4.035   7.642
   62    H    SER   8           H        SER   8   5.789   1.870   6.936
   63    HA   SER   8           HA       SER   8   5.467  -0.352   5.031
   64    HB2  SER   8           HB2      SER   8   3.894   1.373   4.207
   65    HB3  SER   8           HB3      SER   8   5.208   2.561   4.171
   66    HG   SER   8           HG       SER   8   4.682   1.421   2.129
   67    H    VAL   9           H        VAL   9   7.212  -0.384   3.455
   68    HA   VAL   9           HA       VAL   9   9.718   1.029   4.287
   69    HB   VAL   9           HB       VAL   9   9.607  -1.392   4.882
   70   HG11  VAL   9          HG11      VAL   9   8.446  -2.259   2.870
   71   HG12  VAL   9          HG12      VAL   9   9.887  -1.891   1.893
   72   HG13  VAL   9          HG13      VAL   9   9.971  -3.095   3.187
   73   HG21  VAL   9          HG21      VAL   9  11.878  -0.753   2.972
   74   HG22  VAL   9          HG22      VAL   9  11.756  -0.179   4.653
   75   HG23  VAL   9          HG23      VAL   9  11.866  -1.913   4.308
   76    H    ASN  10           H        ASN  10   7.450   0.973   1.838
   77    HA   ASN  10           HA       ASN  10   8.972   0.703  -0.526
   78    HB2  ASN  10           HB2      ASN  10   6.505   0.641  -0.355
   79    HB3  ASN  10           HB3      ASN  10   6.462   2.358   0.024
   80   HD21  ASN  10          HD22      ASN  10   6.233   3.759  -1.734
   81   HD22  ASN  10          HD21      ASN  10   6.513   3.266  -3.396
   82    H    HIS  11           H        HIS  11   8.702   3.518   1.572
   83    HA   HIS  11           HA       HIS  11   9.824   5.498  -0.203
   84    HB2  HIS  11           HB2      HIS  11  10.158   6.781   1.901
   85    HB3  HIS  11           HB3      HIS  11   8.529   6.134   1.743
   86    HD2  HIS  11           HD2      HIS  11   7.675   4.421   3.563
   87    HE1  HIS  11           HE1      HIS  11  11.272   3.993   5.821
   88    HE2  HIS  11           HE2      HIS  11   8.802   3.339   5.673
   89    H    ARG  12           H        ARG  12  11.387   2.912   1.616
   90    HA   ARG  12           HA       ARG  12  13.960   4.030   2.025
   91    HB2  ARG  12           HB2      ARG  12  12.948   1.745   2.792
   92    HB3  ARG  12           HB3      ARG  12  13.430   1.150   1.196
   93    HG2  ARG  12           HG2      ARG  12  15.807   2.197   1.939
   94    HG3  ARG  12           HG3      ARG  12  15.114   2.037   3.545
   95    HD2  ARG  12           HD2      ARG  12  16.359   0.021   3.138
   96    HD3  ARG  12           HD3      ARG  12  14.657  -0.404   3.029
   97    HE   ARG  12           HE       ARG  12  14.931  -0.938   0.790
   98   HH11  ARG  12          HH11      ARG  12  17.828   0.827   1.730
   99   HH12  ARG  12          HH12      ARG  12  18.541   0.647   0.136
  100   HH21  ARG  12          HH21      ARG  12  15.944  -1.071  -1.227
  101   HH22  ARG  12          HH22      ARG  12  17.432  -0.183  -1.487
  102    H    GLU  13           H        GLU  13  12.657   2.374  -0.864
  103    HA   GLU  13           HA       GLU  13  15.125   2.431  -2.372
  104    HB2  GLU  13           HB2      GLU  13  12.200   2.087  -3.112
  105    HB3  GLU  13           HB3      GLU  13  13.510   2.001  -4.301
  106    HG2  GLU  13           HG2      GLU  13  14.557   0.155  -3.013
  107    HG3  GLU  13           HG3      GLU  13  13.238   0.217  -1.845
  108    H    VAL  14           H        VAL  14  12.472   4.785  -2.007
  109    HA   VAL  14           HA       VAL  14  13.399   6.524  -4.169
  110    HB   VAL  14           HB       VAL  14  11.640   7.253  -1.795
  111   HG11  VAL  14          HG11      VAL  14  11.978   8.552  -4.535
  112   HG12  VAL  14          HG12      VAL  14  10.818   9.045  -3.283
  113   HG13  VAL  14          HG13      VAL  14  12.547   9.221  -2.992
  114   HG21  VAL  14          HG21      VAL  14  10.578   5.405  -3.024
  115   HG22  VAL  14          HG22      VAL  14   9.732   6.912  -3.347
  116   HG23  VAL  14          HG23      VAL  14  10.850   6.254  -4.563
  117    H    ASP  15           H        ASP  15  13.835   6.507  -0.584
  118    HA   ASP  15           HA       ASP  15  15.562   8.811  -0.508
  119    HB2  ASP  15           HB2      ASP  15  14.412   7.915   1.463
  120    HB3  ASP  15           HB3      ASP  15  15.338   6.413   1.348
  121    H    GLU  16           H        GLU  16  16.299   5.287  -0.797
  122    HA   GLU  16           HA       GLU  16  19.131   5.525  -0.916
  123    HB2  GLU  16           HB2      GLU  16  18.013   3.404  -0.565
  124    HB3  GLU  16           HB3      GLU  16  17.191   3.508  -2.125
  125    HG2  GLU  16           HG2      GLU  16  19.248   3.223  -3.348
  126    HG3  GLU  16           HG3      GLU  16  20.218   3.420  -1.878
  127    H    ALA  17           H        ALA  17  16.693   5.687  -3.612
  128    HA   ALA  17           HA       ALA  17  18.682   6.033  -5.626
  129    HB1  ALA  17           HB1      ALA  17  16.753   6.771  -7.010
  130    HB2  ALA  17           HB2      ALA  17  16.437   5.260  -6.133
  131    HB3  ALA  17           HB3      ALA  17  15.734   6.786  -5.547
  132    H    ILE  18           H        ILE  18  16.846   8.457  -3.666
  133    HA   ILE  18           HA       ILE  18  17.994  10.811  -4.839
  134    HB   ILE  18           HB       ILE  18  16.838  10.192  -2.101
  135   HG12  ILE  18          HG12      ILE  18  15.906  12.057  -4.325
  136   HG13  ILE  18          HG13      ILE  18  15.377  10.384  -4.166
  137   HG21  ILE  18          HG21      ILE  18  17.904  12.907  -3.021
  138   HG22  ILE  18          HG22      ILE  18  16.934  12.627  -1.566
  139   HG23  ILE  18          HG23      ILE  18  18.532  11.934  -1.673
  140   HD11  ILE  18          HD11      ILE  18  13.672  11.795  -3.267
  141   HD12  ILE  18          HD12      ILE  18  14.419  10.922  -1.914
  142   HD13  ILE  18          HD13      ILE  18  14.805  12.640  -2.208
  143    H    ASP  19           H        ASP  19  19.149   8.827  -2.029
  144    HA   ASP  19           HA       ASP  19  21.475  10.422  -1.608
  145    HB2  ASP  19           HB2      ASP  19  20.386   8.949   0.059
  146    HB3  ASP  19           HB3      ASP  19  20.916   7.532  -0.853
  147    H    ASN  20           H        ASN  20  21.012   7.487  -3.640
  148    HA   ASN  20           HA       ASN  20  23.743   7.208  -4.482
  149    HB2  ASN  20           HB2      ASN  20  21.055   6.522  -5.744
  150    HB3  ASN  20           HB3      ASN  20  22.563   6.252  -6.590
  151   HD21  ASN  20          HD22      ASN  20  20.995   4.082  -6.195
  152   HD22  ASN  20          HD21      ASN  20  21.755   3.053  -4.990
  153    H    ILE  21           H        ILE  21  21.048   9.134  -5.961
  154    HA   ILE  21           HA       ILE  21  22.675  10.297  -8.024
  155    HB   ILE  21           HB       ILE  21  20.058  11.108  -6.701
  156   HG12  ILE  21          HG12      ILE  21  20.653  10.286  -9.573
  157   HG13  ILE  21          HG13      ILE  21  20.285   9.102  -8.316
  158   HG21  ILE  21          HG21      ILE  21  21.655  12.604  -8.808
  159   HG22  ILE  21          HG22      ILE  21  19.899  12.813  -8.629
  160   HG23  ILE  21          HG23      ILE  21  20.958  13.235  -7.300
  161   HD11  ILE  21          HD11      ILE  21  18.088  10.195  -7.904
  162   HD12  ILE  21          HD12      ILE  21  18.411  11.308  -9.248
  163   HD13  ILE  21          HD13      ILE  21  18.265   9.572  -9.553
  164    H    LEU  22           H        LEU  22  21.892  11.443  -4.722
  165    HA   LEU  22           HA       LEU  22  23.208  13.910  -4.784
  166    HB2  LEU  22           HB2      LEU  22  21.645  12.975  -3.042
  167    HB3  LEU  22           HB3      LEU  22  22.926  11.893  -2.508
  168    HG   LEU  22           HG       LEU  22  24.307  13.920  -1.941
  169   HD11  LEU  22          HD11      LEU  22  22.955  16.029  -1.606
  170   HD12  LEU  22          HD12      LEU  22  23.165  15.619  -3.315
  171   HD13  LEU  22          HD13      LEU  22  21.618  15.290  -2.506
  172   HD21  LEU  22          HD21      LEU  22  23.080  12.663  -0.229
  173   HD22  LEU  22          HD22      LEU  22  23.029  14.396   0.133
  174   HD23  LEU  22          HD23      LEU  22  21.604  13.591  -0.560
  175    H    ARG  23           H        ARG  23  24.572  10.708  -3.856
  176    HA   ARG  23           HA       ARG  23  27.274  11.712  -3.500
  177    HB2  ARG  23           HB2      ARG  23  26.005   8.970  -3.696
  178    HB3  ARG  23           HB3      ARG  23  27.766   9.171  -3.616
  179    HG2  ARG  23           HG2      ARG  23  27.550  10.443  -1.516
  180    HG3  ARG  23           HG3      ARG  23  25.794  10.220  -1.536
  181    HD2  ARG  23           HD2      ARG  23  27.788   7.900  -1.498
  182    HD3  ARG  23           HD3      ARG  23  27.125   8.641  -0.049
  183    HE   ARG  23           HE       ARG  23  24.957   7.836  -0.508
  184   HH11  ARG  23          HH11      ARG  23  27.119   6.537  -3.002
  185   HH12  ARG  23          HH12      ARG  23  25.924   5.355  -3.450
  186   HH21  ARG  23          HH21      ARG  23  23.653   6.427  -1.084
  187   HH22  ARG  23          HH22      ARG  23  23.892   5.380  -2.492
  188    H    TYR  24           H        TYR  24  25.704  10.047  -6.316
  189    HA   TYR  24           HA       TYR  24  28.079   9.951  -7.903
  190    HB2  TYR  24           HB2      TYR  24  25.198  10.255  -8.824
  191    HB3  TYR  24           HB3      TYR  24  26.545   9.731  -9.819
  192    HD1  TYR  24           HD1      TYR  24  27.623   7.844  -7.329
  193    HD2  TYR  24           HD2      TYR  24  23.980   8.286  -9.615
  194    HE1  TYR  24           HE1      TYR  24  27.029   5.494  -6.843
  195    HE2  TYR  24           HE2      TYR  24  23.406   5.910  -9.141
  196    HH   TYR  24           HH       TYR  24  25.502   3.791  -7.139
  197    H    THR  25           H        THR  25  25.661  12.571  -7.531
  198    HA   THR  25           HA       THR  25  27.080  14.337  -9.420
  199    HB   THR  25           HB       THR  25  25.476  16.048  -8.654
  200    HG1  THR  25           HG1      THR  25  24.208  14.016  -7.177
  201   HG21  THR  25          HG21      THR  25  24.148  13.410  -9.413
  202   HG22  THR  25          HG22      THR  25  23.416  15.024  -9.518
  203   HG23  THR  25          HG23      THR  25  24.810  14.614 -10.533
  204    H    ASN  26           H        ASN  26  27.682  13.473  -6.187
  205    HA   ASN  26           HA       ASN  26  28.713  14.367  -4.429
  206    HB2  ASN  26           HB2      ASN  26  30.585  14.148  -6.100
  207    HB3  ASN  26           HB3      ASN  26  30.401  15.871  -6.458
  208   HD21  ASN  26          HD22      ASN  26  32.746  15.856  -5.764
  209   HD22  ASN  26          HD21      ASN  26  33.065  15.997  -4.043
  210    H    SER  27           H        SER  27  26.360  15.456  -4.671
  211    HA   SER  27           HA       SER  27  26.615  18.441  -4.464
  212    HB2  SER  27           HB2      SER  27  25.385  17.441  -6.419
  213    HB3  SER  27           HB3      SER  27  24.189  16.818  -5.269
  214    HG   SER  27           HG       SER  27  23.529  18.860  -6.036
  215    H    THR  28           H        THR  28  24.673  19.404  -3.328
  216    HA   THR  28           HA       THR  28  23.942  17.910  -0.827
  217    HB   THR  28           HB       THR  28  25.304  19.834  -0.265
  218    HG1  THR  28           HG1      THR  28  23.881  20.554   1.282
  219   HG21  THR  28          HG21      THR  28  24.667  21.379  -2.129
  220   HG22  THR  28          HG22      THR  28  23.057  21.563  -1.398
  221   HG23  THR  28          HG23      THR  28  24.506  22.115  -0.534
  222    H    GLU  29           H        GLU  29  21.734  18.107  -0.085
  223    HA   GLU  29           HA       GLU  29  19.989  17.592  -2.288
  224    HB2  GLU  29           HB2      GLU  29  19.427  17.942   0.682
  225    HB3  GLU  29           HB3      GLU  29  18.228  17.385  -0.494
  226    HG2  GLU  29           HG2      GLU  29  19.617  15.465  -1.101
  227    HG3  GLU  29           HG3      GLU  29  20.898  16.000  -0.014
  228    H    GLN  30           H        GLN  30  20.489  20.595  -0.469
  229    HA   GLN  30           HA       GLN  30  18.170  21.990  -1.500
  230    HB2  GLN  30           HB2      GLN  30  20.888  23.003  -0.557
  231    HB3  GLN  30           HB3      GLN  30  19.489  24.025  -0.921
  232    HG2  GLN  30           HG2      GLN  30  18.186  22.886   0.857
  233    HG3  GLN  30           HG3      GLN  30  19.574  21.874   1.245
  234   HE21  GLN  30          HE22      GLN  30  18.776  23.095   3.410
  235   HE22  GLN  30          HE21      GLN  30  19.710  24.543   3.755
  236    H    GLN  31           H        GLN  31  21.523  21.577  -2.792
  237    HA   GLN  31           HA       GLN  31  21.000  23.281  -5.118
  238    HB2  GLN  31           HB2      GLN  31  23.273  21.370  -4.440
  239    HB3  GLN  31           HB3      GLN  31  23.157  22.276  -5.952
  240    HG2  GLN  31           HG2      GLN  31  23.021  24.418  -4.614
  241    HG3  GLN  31           HG3      GLN  31  23.338  23.480  -3.155
  242   HE21  GLN  31          HE22      GLN  31  24.725  24.497  -6.312
  243   HE22  GLN  31          HE21      GLN  31  26.392  24.218  -5.822
  244    H    PHE  32           H        PHE  32  20.831  19.760  -4.447
  245    HA   PHE  32           HA       PHE  32  20.167  18.992  -7.130
  246    HB2  PHE  32           HB2      PHE  32  20.869  17.466  -5.315
  247    HB3  PHE  32           HB3      PHE  32  19.367  17.786  -4.463
  248    HD1  PHE  32           HD1      PHE  32  18.928  17.350  -8.112
  249    HD2  PHE  32           HD2      PHE  32  19.328  15.288  -4.332
  250    HE1  PHE  32           HE1      PHE  32  17.850  15.359  -9.077
  251    HE2  PHE  32           HE2      PHE  32  18.267  13.284  -5.333
  252    HZ   PHE  32           HZ       PHE  32  17.499  13.327  -7.697
  253    H    LEU  33           H        LEU  33  18.001  20.038  -4.391
  254    HA   LEU  33           HA       LEU  33  15.596  19.900  -5.914
  255    HB2  LEU  33           HB2      LEU  33  15.766  20.036  -3.457
  256    HB3  LEU  33           HB3      LEU  33  16.315  21.696  -3.563
  257    HG   LEU  33           HG       LEU  33  13.938  21.344  -2.853
  258   HD11  LEU  33          HD11      LEU  33  14.035  23.011  -5.381
  259   HD12  LEU  33          HD12      LEU  33  12.996  23.197  -3.966
  260   HD13  LEU  33          HD13      LEU  33  14.728  23.511  -3.821
  261   HD21  LEU  33          HD21      LEU  33  13.348  19.499  -4.390
  262   HD22  LEU  33          HD22      LEU  33  12.199  20.850  -4.460
  263   HD23  LEU  33          HD23      LEU  33  13.387  20.635  -5.758
  264    H    GLU  34           H        GLU  34  17.865  22.638  -5.483
  265    HA   GLU  34           HA       GLU  34  16.451  24.493  -7.104
  266    HB2  GLU  34           HB2      GLU  34  18.320  25.040  -5.571
  267    HB3  GLU  34           HB3      GLU  34  19.450  24.248  -6.670
  268    HG2  GLU  34           HG2      GLU  34  18.939  25.881  -8.430
  269    HG3  GLU  34           HG3      GLU  34  17.700  26.625  -7.409
  270    H    ALA  35           H        ALA  35  18.892  22.053  -8.084
  271    HA   ALA  35           HA       ALA  35  18.884  22.739 -10.867
  272    HB1  ALA  35           HB1      ALA  35  19.974  20.545 -11.142
  273    HB2  ALA  35           HB2      ALA  35  20.664  21.446  -9.776
  274    HB3  ALA  35           HB3      ALA  35  19.538  20.103  -9.474
  275    H    MET  36           H        MET  36  16.868  20.390  -9.002
  276    HA   MET  36           HA       MET  36  15.356  19.452 -11.282
  277    HB2  MET  36           HB2      MET  36  14.712  19.616  -8.307
  278    HB3  MET  36           HB3      MET  36  13.664  18.847  -9.497
  279    HG2  MET  36           HG2      MET  36  16.561  18.030  -9.081
  280    HG3  MET  36           HG3      MET  36  15.231  17.306  -8.192
  281    HE1  MET  36           HE1      MET  36  13.777  15.403  -8.985
  282    HE2  MET  36           HE2      MET  36  12.895  16.602  -9.967
  283    HE3  MET  36           HE3      MET  36  13.406  15.073 -10.692
  284    H    GLU  37           H        GLU  37  14.707  22.187  -8.992
  285    HA   GLU  37           HA       GLU  37  12.282  23.009 -10.251
  286    HB2  GLU  37           HB2      GLU  37  13.064  23.693  -8.004
  287    HB3  GLU  37           HB3      GLU  37  14.345  24.665  -8.736
  288    HG2  GLU  37           HG2      GLU  37  12.654  26.082  -9.846
  289    HG3  GLU  37           HG3      GLU  37  11.360  25.067  -9.204
  290    H    SER  38           H        SER  38  15.686  23.992 -10.903
  291    HA   SER  38           HA       SER  38  15.106  25.867 -12.980
  292    HB2  SER  38           HB2      SER  38  17.247  25.641 -11.704
  293    HB3  SER  38           HB3      SER  38  17.581  24.139 -12.589
  294    HG   SER  38           HG       SER  38  18.580  26.048 -13.516
  295    H    THR  39           H        THR  39  15.370  22.329 -13.088
  296    HA   THR  39           HA       THR  39  15.281  22.349 -16.073
  297    HB   THR  39           HB       THR  39  15.916  19.980 -15.934
  298    HG1  THR  39           HG1      THR  39  16.403  20.449 -13.198
  299   HG21  THR  39          HG21      THR  39  17.759  21.855 -14.391
  300   HG22  THR  39          HG22      THR  39  18.217  20.304 -15.109
  301   HG23  THR  39          HG23      THR  39  17.695  21.640 -16.152
  302    H    GLY  40           H        GLY  40  12.937  22.404 -13.768
  303    HA2  GLY  40           HA2      GLY  40  10.671  22.155 -14.111
  304    HA3  GLY  40           HA3      GLY  40  10.974  21.412 -15.685
  305    H    GLY  41           H        GLY  41  12.528  20.064 -12.852
  306    HA2  GLY  41           HA2      GLY  41  12.024  18.226 -11.515
  307    HA3  GLY  41           HA3      GLY  41  10.472  18.019 -12.330
  308    H    ARG  42           H        ARG  42  13.030  18.226 -14.636
  309    HA   ARG  42           HA       ARG  42  12.882  15.325 -15.224
  310    HB2  ARG  42           HB2      ARG  42  14.276  17.672 -16.571
  311    HB3  ARG  42           HB3      ARG  42  14.524  15.979 -17.014
  312    HG2  ARG  42           HG2      ARG  42  11.866  15.903 -17.134
  313    HG3  ARG  42           HG3      ARG  42  12.038  17.659 -17.346
  314    HD2  ARG  42           HD2      ARG  42  13.617  17.213 -19.252
  315    HD3  ARG  42           HD3      ARG  42  13.462  15.479 -18.935
  316    HE   ARG  42           HE       ARG  42  11.392  15.449 -19.998
  317   HH11  ARG  42          HH11      ARG  42  12.190  18.854 -19.557
  318   HH12  ARG  42          HH12      ARG  42  10.880  19.363 -20.586
  319   HH21  ARG  42          HH21      ARG  42   9.748  16.197 -21.262
  320   HH22  ARG  42          HH22      ARG  42   9.545  17.902 -21.521
  321    H    VAL  43           H        VAL  43  13.837  14.240 -13.547
  322    HA   VAL  43           HA       VAL  43  16.259  14.883 -12.247
  323    HB   VAL  43           HB       VAL  43  14.672  13.213 -11.458
  324   HG11  VAL  43          HG11      VAL  43  15.796  11.315 -13.553
  325   HG12  VAL  43          HG12      VAL  43  14.657  10.920 -12.259
  326   HG13  VAL  43          HG13      VAL  43  14.150  12.006 -13.555
  327   HG21  VAL  43          HG21      VAL  43  16.263  11.622 -10.536
  328   HG22  VAL  43          HG22      VAL  43  17.475  12.057 -11.749
  329   HG23  VAL  43          HG23      VAL  43  16.950  13.254 -10.538
  330    H    ARG  44           H        ARG  44  15.938  13.137 -15.378
  331    HA   ARG  44           HA       ARG  44  18.705  12.516 -15.648
  332    HB2  ARG  44           HB2      ARG  44  18.228  12.047 -17.923
  333    HB3  ARG  44           HB3      ARG  44  16.860  11.524 -16.959
  334    HG2  ARG  44           HG2      ARG  44  15.661  13.709 -17.720
  335    HG3  ARG  44           HG3      ARG  44  17.043  13.943 -18.803
  336    HD2  ARG  44           HD2      ARG  44  15.417  12.914 -20.138
  337    HD3  ARG  44           HD3      ARG  44  16.552  11.627 -19.756
  338    HE   ARG  44           HE       ARG  44  13.884  12.072 -18.407
  339   HH11  ARG  44          HH11      ARG  44  16.300   9.653 -19.372
  340   HH12  ARG  44          HH12      ARG  44  15.085   8.389 -19.178
  341   HH21  ARG  44          HH22      ARG  44  12.607  10.230 -18.005
  342   HH22  ARG  44          HH21      ARG  44  13.312   8.659 -18.349
  343    H    ILE  45           H        ILE  45  16.997  15.516 -16.473
  344    HA   ILE  45           HA       ILE  45  19.402  16.699 -17.698
  345    HB   ILE  45           HB       ILE  45  16.770  18.043 -17.032
  346   HG12  ILE  45          HG12      ILE  45  16.268  16.250 -18.583
  347   HG13  ILE  45          HG13      ILE  45  16.177  17.788 -19.406
  348   HG21  ILE  45          HG21      ILE  45  19.061  18.854 -18.893
  349   HG22  ILE  45          HG22      ILE  45  17.490  19.680 -18.784
  350   HG23  ILE  45          HG23      ILE  45  18.582  19.669 -17.402
  351   HD11  ILE  45          HD11      ILE  45  18.362  17.363 -20.505
  352   HD12  ILE  45          HD12      ILE  45  18.499  15.816 -19.635
  353   HD13  ILE  45          HD13      ILE  45  17.205  16.060 -20.814
  354    H    ALA  46           H        ALA  46  17.699  16.878 -14.558
  355    HA   ALA  46           HA       ALA  46  19.279  18.961 -13.418
  356    HB1  ALA  46           HB1      ALA  46  18.492  18.068 -11.275
  357    HB2  ALA  46           HB2      ALA  46  17.170  18.078 -12.455
  358    HB3  ALA  46           HB3      ALA  46  17.989  16.557 -12.053
  359    H    ILE  47           H        ILE  47  19.800  15.353 -13.292
  360    HA   ILE  47           HA       ILE  47  22.358  15.712 -12.006
  361    HB   ILE  47           HB       ILE  47  22.759  13.398 -12.255
  362   HG12  ILE  47          HG12      ILE  47  20.406  13.266 -14.170
  363   HG13  ILE  47          HG13      ILE  47  22.100  12.957 -14.542
  364   HG21  ILE  47          HG21      ILE  47  19.814  13.814 -11.606
  365   HG22  ILE  47          HG22      ILE  47  20.894  12.567 -10.978
  366   HG23  ILE  47          HG23      ILE  47  21.158  14.262 -10.545
  367   HD11  ILE  47          HD11      ILE  47  22.059  11.024 -12.928
  368   HD12  ILE  47          HD12      ILE  47  20.300  11.268 -12.762
  369   HD13  ILE  47          HD13      ILE  47  20.986  10.842 -14.325
  370    H    ALA  48           H        ALA  48  21.475  15.407 -15.512
  371    HA   ALA  48           HA       ALA  48  24.115  15.504 -16.494
  372    HB1  ALA  48           HB1      ALA  48  23.060  16.485 -18.505
  373    HB2  ALA  48           HB2      ALA  48  22.098  15.135 -17.868
  374    HB3  ALA  48           HB3      ALA  48  21.579  16.809 -17.572
  375    H    LYS  49           H        LYS  49  22.027  18.305 -15.484
  376    HA   LYS  49           HA       LYS  49  24.022  20.312 -16.031
  377    HB2  LYS  49           HB2      LYS  49  21.526  20.248 -14.292
  378    HB3  LYS  49           HB3      LYS  49  22.531  21.687 -14.415
  379    HG2  LYS  49           HG2      LYS  49  21.315  20.323 -16.851
  380    HG3  LYS  49           HG3      LYS  49  20.509  21.601 -15.938
  381    HD2  LYS  49           HD2      LYS  49  22.386  23.154 -16.401
  382    HD3  LYS  49           HD3      LYS  49  23.210  21.887 -17.338
  383    HE2  LYS  49           HE2      LYS  49  21.293  21.760 -18.887
  384    HE3  LYS  49           HE3      LYS  49  20.437  23.002 -17.960
  385    HZ1  LYS  49           HZ1      LYS  49  22.235  24.568 -18.536
  386    HZ2  LYS  49           HZ2      LYS  49  23.021  23.418 -19.395
  387    HZ3  LYS  49           HZ3      LYS  49  21.567  23.962 -19.893
  388    H    LEU  50           H        LEU  50  23.476  18.337 -13.095
  389    HA   LEU  50           HA       LEU  50  25.546  19.733 -11.591
  390    HB2  LEU  50           HB2      LEU  50  24.077  17.107 -11.316
  391    HB3  LEU  50           HB3      LEU  50  25.605  17.289 -10.491
  392    HG   LEU  50           HG       LEU  50  23.844  17.739  -8.961
  393   HD11  LEU  50          HD11      LEU  50  25.951  19.055  -8.739
  394   HD12  LEU  50          HD12      LEU  50  25.167  20.404  -9.595
  395   HD13  LEU  50          HD13      LEU  50  24.529  19.850  -8.045
  396   HD21  LEU  50          HD21      LEU  50  22.329  19.649  -9.151
  397   HD22  LEU  50          HD22      LEU  50  22.937  19.985 -10.785
  398   HD23  LEU  50          HD23      LEU  50  22.072  18.465 -10.442
  399    H    LEU  51           H        LEU  51  25.666  16.987 -13.872
  400    HA   LEU  51           HA       LEU  51  28.487  16.469 -13.262
  401    HB2  LEU  51           HB2      LEU  51  26.483  15.254 -15.191
  402    HB3  LEU  51           HB3      LEU  51  28.133  14.674 -15.027
  403    HG   LEU  51           HG       LEU  51  26.186  14.753 -12.678
  404   HD11  LEU  51          HD11      LEU  51  25.908  12.343 -13.038
  405   HD12  LEU  51          HD12      LEU  51  25.346  13.256 -14.446
  406   HD13  LEU  51          HD13      LEU  51  26.915  12.428 -14.504
  407   HD21  LEU  51          HD21      LEU  51  27.763  13.111 -11.699
  408   HD22  LEU  51          HD22      LEU  51  28.839  13.321 -13.095
  409   HD23  LEU  51          HD23      LEU  51  28.541  14.676 -11.982
  410    H    SER  52           H        SER  52  26.852  18.300 -15.798
  411    HA   SER  52           HA       SER  52  28.689  17.998 -17.868
  412    HB2  SER  52           HB2      SER  52  27.720  20.033 -18.818
  413    HB3  SER  52           HB3      SER  52  26.473  18.973 -18.150
  414    HG   SER  52           HG       SER  52  26.293  21.277 -17.589
  415    H    LYS  53           H        LYS  53  29.219  19.905 -15.015
  416    HA   LYS  53           HA       LYS  53  31.286  21.630 -16.066
  417    HB2  LYS  53           HB2      LYS  53  31.781  22.145 -13.750
  418    HB3  LYS  53           HB3      LYS  53  30.037  22.137 -14.010
  419    HG2  LYS  53           HG2      LYS  53  29.904  19.854 -13.001
  420    HG3  LYS  53           HG3      LYS  53  31.658  19.878 -12.734
  421    HD2  LYS  53           HD2      LYS  53  31.416  21.865 -11.270
  422    HD3  LYS  53           HD3      LYS  53  29.658  21.852 -11.545
  423    HE2  LYS  53           HE2      LYS  53  29.494  19.603 -10.535
  424    HE3  LYS  53           HE3      LYS  53  31.253  19.554 -10.314
  425    HZ1  LYS  53           HZ1      LYS  53  29.439  21.515  -8.988
  426    HZ2  LYS  53           HZ2      LYS  53  30.133  20.227  -8.258
  427    HZ3  LYS  53           HZ3      LYS  53  31.065  21.452  -8.790
  428    H    GLN  54           H        GLN  54  31.376  18.253 -15.443
  429    HA   GLN  54           HA       GLN  54  34.218  18.057 -14.785
  430    HB2  GLN  54           HB2      GLN  54  32.216  15.987 -15.771
  431    HB3  GLN  54           HB3      GLN  54  33.871  15.640 -15.258
  432    HG2  GLN  54           HG2      GLN  54  33.390  16.494 -12.997
  433    HG3  GLN  54           HG3      GLN  54  31.736  16.884 -13.461
  434   HE21  GLN  54          HE22      GLN  54  31.838  15.330 -11.302
  435   HE22  GLN  54          HE21      GLN  54  31.477  13.662 -11.711
  436    H    THR  55           H        THR  55  35.932  17.469 -16.117
  437    HA   THR  55           HA       THR  55  35.550  17.455 -19.071
  438    HB   THR  55           HB       THR  55  37.580  18.929 -19.248
  439    HG1  THR  55           HG1      THR  55  38.016  20.248 -17.427
  440   HG21  THR  55          HG21      THR  55  35.292  19.799 -19.634
  441   HG22  THR  55          HG22      THR  55  35.176  20.245 -17.918
  442   HG23  THR  55          HG23      THR  55  36.380  21.025 -18.965
  443    H    SER  56           H        SER  56  37.209  16.602 -20.287
  444    HA   SER  56           HA       SER  56  38.847  14.467 -19.076
  445    HB2  SER  56           HB2      SER  56  38.697  15.427 -21.964
  446    HB3  SER  56           HB3      SER  56  39.373  13.899 -21.387
  447    HG   SER  56           HG       SER  56  37.263  13.267 -20.748
  448    H    GLY  57           H        GLY  57  41.199  14.317 -19.971
  449    HA2  GLY  57           HA2      GLY  57  42.857  16.448 -19.123
  450    HA3  GLY  57           HA3      GLY  57  43.346  15.152 -20.219
  451    H    GLY  58           H        GLY  58  44.028  18.052 -20.202
  452    HA2  GLY  58           HA2      GLY  58  44.331  19.794 -21.694
  453    HA3  GLY  58           HA3      GLY  58  43.726  18.756 -22.991
  454    H    SER  59           H        SER  59  41.741  19.384 -20.159
  455    HA   SER  59           HA       SER  59  39.657  20.159 -19.905
  456    HB2  SER  59           HB2      SER  59  40.542  22.476 -21.648
  457    HB3  SER  59           HB3      SER  59  39.124  22.441 -20.595
  458    HG   SER  59           HG       SER  59  41.861  22.198 -19.789
  459    H    GLY  60           H        GLY  60  40.014  18.258 -22.042
  460    HA2  GLY  60           HA2      GLY  60  38.117  18.858 -24.182
  461    HA3  GLY  60           HA3      GLY  60  38.885  17.315 -23.832
  462    H    GLY  61           H        GLY  61  36.591  16.729 -24.546
  463    HA2  GLY  61           HA2      GLY  61  35.171  15.732 -22.236
  464    HA3  GLY  61           HA3      GLY  61  34.258  17.005 -23.050
  465    H    SER  62           H        SER  62  33.016  14.710 -22.931
  466    HA   SER  62           HA       SER  62  33.649  12.735 -24.884
  467    HB2  SER  62           HB2      SER  62  31.001  13.249 -23.486
  468    HB3  SER  62           HB3      SER  62  31.510  11.737 -24.270
  469    HG   SER  62           HG       SER  62  31.858  11.679 -21.993
  470    H    LYS  63           H        LYS  63  32.040  15.736 -25.364
  471    HA   LYS  63           HA       LYS  63  31.172  14.925 -28.105
  472    HB2  LYS  63           HB2      LYS  63  29.249  14.882 -26.555
  473    HB3  LYS  63           HB3      LYS  63  29.505  16.567 -26.140
  474    HG2  LYS  63           HG2      LYS  63  29.053  15.761 -29.038
  475    HG3  LYS  63           HG3      LYS  63  27.707  15.800 -27.906
  476    HD2  LYS  63           HD2      LYS  63  28.207  18.191 -27.381
  477    HD3  LYS  63           HD3      LYS  63  29.458  18.191 -28.636
  478    HE2  LYS  63           HE2      LYS  63  27.736  17.515 -30.325
  479    HE3  LYS  63           HE3      LYS  63  26.507  17.535 -29.058
  480    HZ1  LYS  63           HZ1      LYS  63  27.094  19.952 -28.739
  481    HZ2  LYS  63           HZ2      LYS  63  28.007  19.880 -30.113
  482    HZ3  LYS  63           HZ3      LYS  63  26.391  19.617 -30.171
  483    H    LEU  64           H        LEU  64  31.503  16.373 -29.674
  484    HA   LEU  64           HA       LEU  64  32.287  19.154 -29.085
  485    HB2  LEU  64           HB2      LEU  64  34.276  19.042 -30.527
  486    HB3  LEU  64           HB3      LEU  64  34.394  18.099 -29.061
  487    HG   LEU  64           HG       LEU  64  33.990  16.002 -30.389
  488   HD11  LEU  64          HD11      LEU  64  34.459  16.129 -32.852
  489   HD12  LEU  64          HD12      LEU  64  32.900  16.805 -32.415
  490   HD13  LEU  64          HD13      LEU  64  34.267  17.892 -32.768
  491   HD21  LEU  64          HD21      LEU  64  36.255  15.949 -31.323
  492   HD22  LEU  64          HD22      LEU  64  36.340  17.725 -31.268
  493   HD23  LEU  64          HD23      LEU  64  36.246  16.780 -29.766
  494    H    GLY  65           H        GLY  65  32.453  20.473 -31.132
  495    HA2  GLY  65           HA2      GLY  65  31.548  21.270 -33.099
  496    HA3  GLY  65           HA3      GLY  65  31.093  19.627 -33.527
  497    H    GLY  66           H        GLY  66  29.281  20.908 -34.467
  498    HA2  GLY  66           HA2      GLY  66  27.270  22.194 -32.861
  499    HA3  GLY  66           HA3      GLY  66  27.124  21.705 -34.543
  500    H    SER  67           H        SER  67  24.899  21.527 -33.371
  501    HA   SER  67           HA       SER  67  24.421  18.693 -32.510
  502    HB2  SER  67           HB2      SER  67  23.065  21.196 -31.457
  503    HB3  SER  67           HB3      SER  67  22.736  19.525 -30.953
  504    HG   SER  67           HG       SER  67  24.178  20.682 -29.540
  505    H    GLY  68           H        GLY  68  24.103  20.116 -35.210
  506    HA2  GLY  68           HA2      GLY  68  22.669  19.931 -37.020
  507    HA3  GLY  68           HA3      GLY  68  21.644  18.872 -36.057
  508    H    GLY  69           H        GLY  69  19.883  19.943 -37.192
  509    HA2  GLY  69           HA2      GLY  69  19.249  22.736 -36.854
  510    HA3  GLY  69           HA3      GLY  69  18.165  21.473 -37.428
  511    H    SER  70           H        SER  70  17.267  23.562 -35.845
  512    HA   SER  70           HA       SER  70  17.074  22.955 -33.045
  513    HB2  SER  70           HB2      SER  70  15.249  24.639 -33.080
  514    HB3  SER  70           HB3      SER  70  16.731  25.195 -33.873
  515    HG   SER  70           HG       SER  70  14.867  25.677 -35.134
  516    H    ARG  71           H        ARG  71  15.231  21.876 -35.817
  517    HA   ARG  71           HA       ARG  71  13.655  20.006 -34.078
  518    HB2  ARG  71           HB2      ARG  71  12.838  21.178 -36.773
  519    HB3  ARG  71           HB3      ARG  71  11.937  19.967 -35.874
  520    HG2  ARG  71           HG2      ARG  71  12.459  22.844 -34.997
  521    HG3  ARG  71           HG3      ARG  71  10.954  22.216 -35.651
  522    HD2  ARG  71           HD2      ARG  71  12.222  21.374 -33.015
  523    HD3  ARG  71           HD3      ARG  71  10.869  22.492 -33.207
  524    HE   ARG  71           HE       ARG  71  10.014  20.198 -34.507
  525   HH11  ARG  71          HH11      ARG  71  10.956  20.918 -31.209
  526   HH12  ARG  71          HH12      ARG  71   9.949  19.658 -30.550
  527   HH21  ARG  71          HH21      ARG  71   8.775  18.589 -33.604
  528   HH22  ARG  71          HH22      ARG  71   8.738  18.383 -31.879
  529    H    LYS  72           H        LYS  72  13.819  17.907 -34.519
  530    HA   LYS  72           HA       LYS  72  15.257  16.900 -36.929
  531    HB2  LYS  72           HB2      LYS  72  16.052  16.403 -34.027
  532    HB3  LYS  72           HB3      LYS  72  16.582  15.383 -35.368
  533    HG2  LYS  72           HG2      LYS  72  17.661  17.304 -36.465
  534    HG3  LYS  72           HG3      LYS  72  17.182  18.367 -35.137
  535    HD2  LYS  72           HD2      LYS  72  18.892  15.875 -34.759
  536    HD3  LYS  72           HD3      LYS  72  19.589  17.457 -35.085
  537    HE2  LYS  72           HE2      LYS  72  17.680  17.024 -32.749
  538    HE3  LYS  72           HE3      LYS  72  19.391  16.625 -32.616
  539    HZ1  LYS  72           HZ1      LYS  72  18.461  19.352 -33.405
  540    HZ2  LYS  72           HZ2      LYS  72  18.859  18.920 -31.868
  541    HZ3  LYS  72           HZ3      LYS  72  19.990  18.889 -33.045
  542    H    ASP  73           H        ASP  73  14.966  14.683 -37.345
  543    HA   ASP  73           HA       ASP  73  12.986  13.142 -35.824
  544    HB2  ASP  73           HB2      ASP  73  11.663  14.548 -37.435
  545    HB3  ASP  73           HB3      ASP  73  12.558  13.806 -38.763
  546    H    LEU  74           H        LEU  74  12.856  10.907 -36.564
  547    HA   LEU  74           HA       LEU  74  13.944   8.922 -36.697
  548    HB2  LEU  74           HB2      LEU  74  15.012  10.017 -39.311
  549    HB3  LEU  74           HB3      LEU  74  14.864   8.322 -38.864
  550    HG   LEU  74           HG       LEU  74  12.540  10.248 -39.290
  551   HD11  LEU  74          HD11      LEU  74  13.544   7.896 -40.945
  552   HD12  LEU  74          HD12      LEU  74  12.108   8.890 -41.286
  553   HD13  LEU  74          HD13      LEU  74  13.719   9.619 -41.357
  554   HD21  LEU  74          HD21      LEU  74  12.550   7.252 -38.691
  555   HD22  LEU  74          HD22      LEU  74  11.907   8.537 -37.638
  556   HD23  LEU  74          HD23      LEU  74  11.128   8.200 -39.183
  557    H    SER  75           H        SER  75  15.323  10.792 -35.097
  558    HA   SER  75           HA       SER  75  18.082  10.987 -35.525
  559    HB2  SER  75           HB2      SER  75  16.645  10.861 -32.850
  560    HB3  SER  75           HB3      SER  75  18.234  11.580 -33.169
  561    HG   SER  75           HG       SER  75  16.514  13.144 -33.127
  562    H    VAL  76           H        VAL  76  19.899   9.920 -34.729
  563    HA   VAL  76           HA       VAL  76  19.666   7.032 -34.319
  564    HB   VAL  76           HB       VAL  76  22.116   7.023 -34.230
  565   HG11  VAL  76          HG11      VAL  76  20.930   6.860 -36.379
  566   HG12  VAL  76          HG12      VAL  76  21.031   8.623 -36.580
  567   HG13  VAL  76          HG13      VAL  76  22.511   7.642 -36.543
  568   HG21  VAL  76          HG21      VAL  76  22.541   9.223 -33.187
  569   HG22  VAL  76          HG22      VAL  76  23.436   9.015 -34.694
  570   HG23  VAL  76          HG23      VAL  76  21.988  10.037 -34.669
  571    H    LYS  77           H        LYS  77  20.784   5.886 -32.601
  572    HA   LYS  77           HA       LYS  77  19.926   6.808 -29.986
  573    HB2  LYS  77           HB2      LYS  77  20.627   4.635 -29.175
  574    HB3  LYS  77           HB3      LYS  77  19.675   4.511 -30.634
  575    HG2  LYS  77           HG2      LYS  77  21.267   2.921 -30.996
  576    HG3  LYS  77           HG3      LYS  77  21.953   4.269 -31.897
  577    HD2  LYS  77           HD2      LYS  77  23.480   4.748 -29.978
  578    HD3  LYS  77           HD3      LYS  77  22.770   3.413 -29.067
  579    HE2  LYS  77           HE2      LYS  77  24.195   3.145 -31.764
  580    HE3  LYS  77           HE3      LYS  77  24.987   2.946 -30.200
  581    HZ1  LYS  77           HZ1      LYS  77  24.336   0.798 -31.083
  582    HZ2  LYS  77           HZ2      LYS  77  23.469   1.081 -29.732
  583    HZ3  LYS  77           HZ3      LYS  77  22.770   1.225 -31.206
  584    H    GLY  78           H        GLY  78  21.248   6.773 -28.054
  585    HA2  GLY  78           HA2      GLY  78  24.084   7.127 -28.029
  586    HA3  GLY  78           HA3      GLY  78  23.307   8.712 -28.074
  587    H    MET  79           H        MET  79  24.772   8.370 -25.930
  588    HA   MET  79           HA       MET  79  23.499   6.998 -23.723
  589    HB2  MET  79           HB2      MET  79  25.926   7.303 -23.865
  590    HB3  MET  79           HB3      MET  79  25.737   9.058 -23.753
  591    HG2  MET  79           HG2      MET  79  24.747   8.819 -21.502
  592    HG3  MET  79           HG3      MET  79  24.881   7.059 -21.612
  593    HE1  MET  79           HE1      MET  79  26.003   7.220 -19.178
  594    HE2  MET  79           HE2      MET  79  27.467   8.165 -18.834
  595    HE3  MET  79           HE3      MET  79  25.946   8.998 -19.227
  596    H    LEU  80           H        LEU  80  21.922   7.645 -22.440
  597    HA   LEU  80           HA       LEU  80  21.644  10.426 -21.569
  598    HB2  LEU  80           HB2      LEU  80  20.217  10.337 -23.593
  599    HB3  LEU  80           HB3      LEU  80  19.400   8.906 -22.974
  600    HG   LEU  80           HG       LEU  80  18.466  10.242 -21.104
  601   HD11  LEU  80          HD11      LEU  80  18.561  12.727 -21.218
  602   HD12  LEU  80          HD12      LEU  80  20.154  12.042 -20.896
  603   HD13  LEU  80          HD13      LEU  80  19.754  12.613 -22.529
  604   HD21  LEU  80          HD21      LEU  80  17.196   9.957 -23.191
  605   HD22  LEU  80          HD22      LEU  80  16.863  11.531 -22.456
  606   HD23  LEU  80          HD23      LEU  80  17.946  11.422 -23.860
  607    H    TYR  81           H        TYR  81  21.061  10.468 -19.415
  608    HA   TYR  81           HA       TYR  81  20.879   8.030 -17.913
  609    HB2  TYR  81           HB2      TYR  81  20.085  10.790 -16.946
  610    HB3  TYR  81           HB3      TYR  81  20.650   9.421 -15.997
  611    HD1  TYR  81           HD1      TYR  81  23.099   8.598 -16.429
  612    HD2  TYR  81           HD2      TYR  81  21.597  12.455 -17.664
  613    HE1  TYR  81           HE1      TYR  81  25.433   9.460 -16.610
  614    HE2  TYR  81           HE2      TYR  81  23.924  13.292 -17.885
  615    HH   TYR  81           HH       TYR  81  26.178  12.790 -17.710
  616    H    ASP  82           H        ASP  82  19.125   7.185 -16.648
  617    HA   ASP  82           HA       ASP  82  16.419   8.283 -17.090
  618    HB2  ASP  82           HB2      ASP  82  16.834   6.655 -18.936
  619    HB3  ASP  82           HB3      ASP  82  17.092   5.385 -17.736
  620    H    SER  83           H        SER  83  15.365   8.405 -15.288
  621    HA   SER  83           HA       SER  83  14.986   6.204 -13.486
  622    HB2  SER  83           HB2      SER  83  15.617   7.489 -11.404
  623    HB3  SER  83           HB3      SER  83  16.976   6.910 -12.362
  624    HG   SER  83           HG       SER  83  17.321   8.967 -13.136
  625    H    ASP  84           H        ASP  84  13.308   6.877 -11.742
  626    HA   ASP  84           HA       ASP  84  11.165   8.238 -13.099
  627    HB2  ASP  84           HB2      ASP  84  10.801   6.353 -11.556
  628    HB3  ASP  84           HB3      ASP  84  11.360   7.334 -10.201
  629    H    SER  85           H        SER  85  10.477  10.311 -13.066
  630    HA   SER  85           HA       SER  85  12.027  12.356 -11.703
  631    HB2  SER  85           HB2      SER  85  10.345  13.868 -12.828
  632    HB3  SER  85           HB3      SER  85  11.269  12.809 -13.915
  633    HG   SER  85           HG       SER  85   9.028  12.776 -14.429
  634    H    GLN  86           H        GLN  86   8.641  11.183 -11.381
  635    HA   GLN  86           HA       GLN  86   7.912  13.319  -9.641
  636    HB2  GLN  86           HB2      GLN  86   6.523  10.651 -10.165
  637    HB3  GLN  86           HB3      GLN  86   5.808  12.030  -9.318
  638    HG2  GLN  86           HG2      GLN  86   6.104  13.437 -11.360
  639    HG3  GLN  86           HG3      GLN  86   6.757  12.039 -12.219
  640   HE21  GLN  86          HE22      GLN  86   4.745  13.005 -13.561
  641   HE22  GLN  86          HE21      GLN  86   3.253  12.122 -13.266
  642    H    GLN  87           H        GLN  87   8.707   9.894  -8.722
  643    HA   GLN  87           HA       GLN  87   8.056  10.341  -5.934
  644    HB2  GLN  87           HB2      GLN  87   9.881   8.298  -7.276
  645    HB3  GLN  87           HB3      GLN  87   9.398   8.264  -5.574
  646    HG2  GLN  87           HG2      GLN  87   7.039   8.042  -6.187
  647    HG3  GLN  87           HG3      GLN  87   7.427   8.151  -7.903
  648   HE21  GLN  87          HE22      GLN  87   6.025   5.996  -7.492
  649   HE22  GLN  87          HE21      GLN  87   7.028   4.560  -7.365
  650    H    ILE  88           H        ILE  88  11.125  10.500  -7.749
  651    HA   ILE  88           HA       ILE  88  12.844  11.237  -5.584
  652    HB   ILE  88           HB       ILE  88  12.977  11.862  -8.566
  653   HG12  ILE  88          HG12      ILE  88  12.983   9.451  -8.129
  654   HG13  ILE  88          HG13      ILE  88  14.513  10.015  -8.772
  655   HG21  ILE  88          HG21      ILE  88  15.152  12.163  -6.465
  656   HG22  ILE  88          HG22      ILE  88  15.426  12.182  -8.221
  657   HG23  ILE  88          HG23      ILE  88  14.444  13.443  -7.462
  658   HD11  ILE  88          HD11      ILE  88  15.558   9.843  -6.546
  659   HD12  ILE  88          HD12      ILE  88  13.996   9.329  -5.847
  660   HD13  ILE  88          HD13      ILE  88  14.812   8.317  -7.050
  661    H    LEU  89           H        LEU  89  11.034  13.359  -7.936
  662    HA   LEU  89           HA       LEU  89  11.929  15.752  -6.659
  663    HB2  LEU  89           HB2      LEU  89  11.043  15.568  -8.978
  664    HB3  LEU  89           HB3      LEU  89   9.441  15.236  -8.368
  665    HG   LEU  89           HG       LEU  89   9.941  17.551  -9.267
  666   HD11  LEU  89          HD11      LEU  89   8.832  17.608  -6.437
  667   HD12  LEU  89          HD12      LEU  89   8.516  18.728  -7.761
  668   HD13  LEU  89          HD13      LEU  89   7.934  17.059  -7.874
  669   HD21  LEU  89          HD21      LEU  89  11.221  18.090  -6.559
  670   HD22  LEU  89          HD22      LEU  89  12.141  17.844  -8.058
  671   HD23  LEU  89          HD23      LEU  89  11.013  19.207  -7.917
  672    H    ASN  90           H        ASN  90   8.845  13.892  -6.153
  673    HA   ASN  90           HA       ASN  90   7.811  15.753  -4.306
  674    HB2  ASN  90           HB2      ASN  90   6.561  13.873  -5.436
  675    HB3  ASN  90           HB3      ASN  90   7.321  12.743  -4.304
  676   HD21  ASN  90          HD22      ASN  90   5.123  12.203  -3.553
  677   HD22  ASN  90          HD21      ASN  90   4.302  13.315  -2.474
  678    H    ARG  91           H        ARG  91   9.810  12.780  -3.536
  679    HA   ARG  91           HA       ARG  91   9.786  13.511  -0.729
  680    HB2  ARG  91           HB2      ARG  91   9.986  11.197  -1.521
  681    HB3  ARG  91           HB3      ARG  91  11.553  11.539  -2.231
  682    HG2  ARG  91           HG2      ARG  91  11.604  10.308  -0.049
  683    HG3  ARG  91           HG3      ARG  91  12.586  11.768  -0.083
  684    HD2  ARG  91           HD2      ARG  91  11.337  11.395   2.070
  685    HD3  ARG  91           HD3      ARG  91  11.083  12.962   1.331
  686    HE   ARG  91           HE       ARG  91   8.844  12.439   0.792
  687   HH11  ARG  91          HH21      ARG  91  10.193   9.646   2.474
  688   HH12  ARG  91          HH22      ARG  91   8.595   9.079   2.878
  689   HH21  ARG  91          HH11      ARG  91   7.044  11.750   1.288
  690   HH22  ARG  91          HH12      ARG  91   6.776  10.237   2.163
  691    H    LEU  92           H        LEU  92  12.030  14.394  -3.348
  692    HA   LEU  92           HA       LEU  92  13.974  15.586  -1.553
  693    HB2  LEU  92           HB2      LEU  92  14.390  14.899  -3.914
  694    HB3  LEU  92           HB3      LEU  92  13.293  16.165  -4.464
  695    HG   LEU  92           HG       LEU  92  14.845  17.875  -3.491
  696   HD11  LEU  92          HD11      LEU  92  16.679  15.465  -3.076
  697   HD12  LEU  92          HD12      LEU  92  17.167  17.171  -2.966
  698   HD13  LEU  92          HD13      LEU  92  16.020  16.518  -1.795
  699   HD21  LEU  92          HD21      LEU  92  15.998  15.899  -5.512
  700   HD22  LEU  92          HD22      LEU  92  14.923  17.278  -5.853
  701   HD23  LEU  92          HD23      LEU  92  16.567  17.557  -5.261
  702    H    ARG  93           H        ARG  93  11.023  16.833  -3.180
  703    HA   ARG  93           HA       ARG  93  11.262  19.578  -2.293
  704    HB2  ARG  93           HB2      ARG  93   9.860  18.820  -4.199
  705    HB3  ARG  93           HB3      ARG  93   8.874  17.863  -3.097
  706    HG2  ARG  93           HG2      ARG  93   8.323  20.137  -1.924
  707    HG3  ARG  93           HG3      ARG  93   9.046  20.887  -3.349
  708    HD2  ARG  93           HD2      ARG  93   6.634  20.751  -3.675
  709    HD3  ARG  93           HD3      ARG  93   7.413  19.627  -4.781
  710    HE   ARG  93           HE       ARG  93   6.402  17.842  -3.689
  711   HH11  ARG  93          HH21      ARG  93   5.865  20.656  -1.627
  712   HH12  ARG  93          HH22      ARG  93   4.927  19.691  -0.496
  713   HH21  ARG  93          HH11      ARG  93   5.266  16.734  -2.120
  714   HH22  ARG  93          HH12      ARG  93   4.571  17.651  -0.784
  715    H    GLU  94           H        GLU  94   9.554  16.711  -0.896
  716    HA   GLU  94           HA       GLU  94   8.534  18.080   1.374
  717    HB2  GLU  94           HB2      GLU  94   9.366  15.184   0.974
  718    HB3  GLU  94           HB3      GLU  94   8.594  15.775   2.448
  719    HG2  GLU  94           HG2      GLU  94   6.646  16.561   1.160
  720    HG3  GLU  94           HG3      GLU  94   7.370  15.985  -0.330
  721    H    ARG  95           H        ARG  95  11.623  16.206   1.108
  722    HA   ARG  95           HA       ARG  95  12.545  16.831   3.714
  723    HB2  ARG  95           HB2      ARG  95  13.425  15.035   2.293
  724    HB3  ARG  95           HB3      ARG  95  14.141  16.216   1.189
  725    HG2  ARG  95           HG2      ARG  95  15.669  17.011   2.907
  726    HG3  ARG  95           HG3      ARG  95  14.869  16.047   4.159
  727    HD2  ARG  95           HD2      ARG  95  16.219  14.879   1.701
  728    HD3  ARG  95           HD3      ARG  95  17.042  15.114   3.258
  729    HE   ARG  95           HE       ARG  95  14.873  13.665   4.020
  730   HH11  ARG  95          HH11      ARG  95  17.346  13.035   1.552
  731   HH12  ARG  95          HH12      ARG  95  17.047  11.281   1.706
  732   HH21  ARG  95          HH21      ARG  95  14.703  11.403   4.088
  733   HH22  ARG  95          HH22      ARG  95  15.738  10.478   2.990
  734    H    VAL  96           H        VAL  96  13.071  18.713   0.711
  735    HA   VAL  96           HA       VAL  96  14.872  20.569   2.118
  736    HB   VAL  96           HB       VAL  96  13.901  20.450  -0.749
  737   HG11  VAL  96          HG11      VAL  96  14.398  22.783  -0.305
  738   HG12  VAL  96          HG12      VAL  96  15.890  22.350   0.559
  739   HG13  VAL  96          HG13      VAL  96  15.758  22.100  -1.191
  740   HG21  VAL  96          HG21      VAL  96  16.237  19.771  -1.195
  741   HG22  VAL  96          HG22      VAL  96  16.622  19.883   0.535
  742   HG23  VAL  96          HG23      VAL  96  15.500  18.645  -0.065
  743    H    SER  97           H        SER  97  11.540  20.713   0.808
  744    HA   SER  97           HA       SER  97  11.350  23.546   1.671
  745    HB2  SER  97           HB2      SER  97   9.617  22.054  -0.311
  746    HB3  SER  97           HB3      SER  97   9.611  23.790   0.046
  747    HG   SER  97           HG       SER  97  10.864  23.408  -1.800
  748    H    GLY  98           H        GLY  98  10.129  20.457   2.690
  749    HA2  GLY  98           HA2      GLY  98   9.087  20.636   4.933
  750    HA3  GLY  98           HA3      GLY  98   7.922  21.773   4.262
  751    H    SER  99           H        SER  99   7.807  18.963   5.495
  752    HA   SER  99           HA       SER  99   6.914  17.167   3.426
  753    HB2  SER  99           HB2      SER  99   6.788  16.926   6.447
  754    HB3  SER  99           HB3      SER  99   6.491  15.618   5.286
  755    HG   SER  99           HG       SER  99   8.688  15.672   6.082
  756    H    THR 100           H        THR 100   5.273  18.723   2.587
  757    HA   THR 100           HA       THR 100   2.600  17.814   3.492
  758    HB   THR 100           HB       THR 100   2.853  19.974   4.576
  759    HG1  THR 100           HG1      THR 100   0.976  20.834   3.795
  760   HG21  THR 100          HG21      THR 100   3.202  21.183   1.797
  761   HG22  THR 100          HG22      THR 100   3.024  22.067   3.324
  762   HG23  THR 100          HG23      THR 100   4.470  21.086   3.040
  763    H    ALA 101           H        ALA 101   0.994  17.875   1.886
  764    HA   ALA 101           HA       ALA 101   1.854  18.422  -0.917
  765    HB1  ALA 101           HB1      ALA 101   1.994  15.993  -0.459
  766    HB2  ALA 101           HB2      ALA 101   0.288  15.994   0.046
  767    HB3  ALA 101           HB3      ALA 101   0.718  16.366  -1.636
  768    H    GLN 102           H        GLN 102   0.118  19.848   1.237
  769    HA   GLN 102           HA       GLN 102  -2.604  19.772   0.226
  770    HB2  GLN 102           HB2      GLN 102  -1.178  21.687   2.112
  771    HB3  GLN 102           HB3      GLN 102  -2.904  21.742   1.743
  772    HG2  GLN 102           HG2      GLN 102  -3.183  19.435   2.613
  773    HG3  GLN 102           HG3      GLN 102  -1.468  19.370   3.017
  774   HE21  GLN 102          HE22      GLN 102  -2.927  18.826   5.137
  775   HE22  GLN 102          HE21      GLN 102  -3.100  20.221   6.195
  776    H    SER 103           H        SER 103  -3.758  21.402  -0.866
  777    HA   SER 103           HA       SER 103  -2.428  22.646  -3.060
  778    HB2  SER 103           HB2      SER 103  -5.228  23.144  -1.989
  779    HB3  SER 103           HB3      SER 103  -4.622  23.589  -3.593
  780    HG   SER 103           HG       SER 103  -5.772  21.582  -3.623
  781    H    ALA 104           H        ALA 104  -2.189  24.828  -3.630
  782    HA   ALA 104           HA       ALA 104  -1.445  26.680  -1.535
  783    HB1  ALA 104           HB1      ALA 104  -0.905  28.169  -3.417
  784    HB2  ALA 104           HB2      ALA 104  -0.240  26.547  -3.683
  785    HB3  ALA 104           HB3      ALA 104  -1.708  27.064  -4.550
  Start of MODEL   13
    1    H1   SER   1           H1       SER   1   0.172   8.799  15.061
    2    H2   SER   1           H2       SER   1  -0.732   7.796  15.981
    3    H3   SER   1           H3       SER   1   0.799   7.375  15.589
    4    HA   SER   1           HA       SER   1  -1.448   7.673  13.700
    5    HB2  SER   1           HB2      SER   1   0.869   8.257  12.810
    6    HB3  SER   1           HB3      SER   1   1.302   6.551  13.038
    7    HG   SER   1           HG       SER   1   0.482   7.070  10.910
    8    H    VAL   2           H        VAL   2  -1.726   5.497  12.458
    9    HA   VAL   2           HA       VAL   2  -2.505   3.485  14.453
   10    HB   VAL   2           HB       VAL   2  -2.790   3.489  11.421
   11   HG11  VAL   2          HG11      VAL   2  -4.106   1.716  13.530
   12   HG12  VAL   2          HG12      VAL   2  -4.546   1.775  11.811
   13   HG13  VAL   2          HG13      VAL   2  -2.956   1.185  12.277
   14   HG21  VAL   2          HG21      VAL   2  -4.081   5.324  12.459
   15   HG22  VAL   2          HG22      VAL   2  -5.162   4.058  11.887
   16   HG23  VAL   2          HG23      VAL   2  -4.792   4.182  13.619
   17    H    SER   3           H        SER   3  -1.612   1.499  14.807
   18    HA   SER   3           HA       SER   3   1.109   0.993  13.931
   19    HB2  SER   3           HB2      SER   3  -0.741  -0.693  15.649
   20    HB3  SER   3           HB3      SER   3   1.009  -0.916  15.448
   21    HG   SER   3           HG       SER   3   0.509   0.289  17.347
   22    H    ILE   4           H        ILE   4   0.157   0.985  11.586
   23    HA   ILE   4           HA       ILE   4  -1.103  -1.404  10.620
   24    HB   ILE   4           HB       ILE   4  -0.747  -0.645   8.433
   25   HG12  ILE   4          HG12      ILE   4   1.574  -0.007   8.372
   26   HG13  ILE   4          HG13      ILE   4   0.545   1.234   7.702
   27   HG21  ILE   4          HG21      ILE   4  -1.799   1.532   8.466
   28   HG22  ILE   4          HG22      ILE   4  -2.471   0.494   9.736
   29   HG23  ILE   4          HG23      ILE   4  -1.328   1.790  10.152
   30   HD11  ILE   4          HD11      ILE   4   2.352   2.236   8.972
   31   HD12  ILE   4          HD12      ILE   4   0.818   2.596   9.776
   32   HD13  ILE   4          HD13      ILE   4   1.906   1.340  10.428
   33    H    LEU   5           H        LEU   5  -0.287  -2.992   9.161
   34    HA   LEU   5           HA       LEU   5   2.588  -3.744   9.506
   35    HB2  LEU   5           HB2      LEU   5   0.135  -5.546   9.553
   36    HB3  LEU   5           HB3      LEU   5   1.798  -6.117   9.556
   37    HG   LEU   5           HG       LEU   5   0.532  -4.445  11.779
   38   HD11  LEU   5          HD11      LEU   5  -0.410  -6.716  11.624
   39   HD12  LEU   5          HD12      LEU   5   1.228  -7.410  11.655
   40   HD13  LEU   5          HD13      LEU   5   0.599  -6.537  13.069
   41   HD21  LEU   5          HD21      LEU   5   2.973  -4.102  11.692
   42   HD22  LEU   5          HD22      LEU   5   2.544  -5.104  13.077
   43   HD23  LEU   5          HD23      LEU   5   3.237  -5.859  11.624
   44    H    ARG   6           H        ARG   6   3.414  -5.172   7.853
   45    HA   ARG   6           HA       ARG   6   4.052  -5.492   5.681
   46    HB2  ARG   6           HB2      ARG   6   1.090  -6.044   5.294
   47    HB3  ARG   6           HB3      ARG   6   2.402  -6.566   4.230
   48    HG2  ARG   6           HG2      ARG   6   3.381  -7.902   6.088
   49    HG3  ARG   6           HG3      ARG   6   2.027  -7.428   7.134
   50    HD2  ARG   6           HD2      ARG   6   0.433  -8.474   5.557
   51    HD3  ARG   6           HD3      ARG   6   1.786  -8.949   4.508
   52    HE   ARG   6           HE       ARG   6   2.305  -9.960   7.111
   53   HH11  ARG   6          HH11      ARG   6   0.022 -10.584   4.533
   54   HH12  ARG   6          HH12      ARG   6  -0.202 -12.249   4.998
   55   HH21  ARG   6          HH22      ARG   6   1.983 -12.092   7.659
   56   HH22  ARG   6          HH21      ARG   6   0.889 -13.077   6.735
   57    H    SER   7           H        SER   7   3.876  -2.821   6.237
   58    HA   SER   7           HA       SER   7   2.545  -1.301   4.168
   59    HB2  SER   7           HB2      SER   7   3.926   0.578   5.054
   60    HB3  SER   7           HB3      SER   7   2.960  -0.266   6.276
   61    HG   SER   7           HG       SER   7   5.144   0.129   6.965
   62    H    SER   8           H        SER   8   3.630   0.092   2.610
   63    HA   SER   8           HA       SER   8   5.395  -1.415   0.890
   64    HB2  SER   8           HB2      SER   8   3.624   0.060   0.054
   65    HB3  SER   8           HB3      SER   8   4.496   1.476   0.675
   66    HG   SER   8           HG       SER   8   4.824   0.818  -1.635
   67    H    VAL   9           H        VAL   9   7.399  -0.812   0.067
   68    HA   VAL   9           HA       VAL   9   9.182   0.803   1.847
   69    HB   VAL   9           HB       VAL   9   9.587  -1.670   1.638
   70   HG11  VAL   9          HG11      VAL   9   9.180  -1.938  -0.798
   71   HG12  VAL   9          HG12      VAL   9  10.646  -0.983  -1.132
   72   HG13  VAL   9          HG13      VAL   9  10.766  -2.541  -0.300
   73   HG21  VAL   9          HG21      VAL   9  11.307  -0.078   2.439
   74   HG22  VAL   9          HG22      VAL   9  11.965  -1.516   1.642
   75   HG23  VAL   9          HG23      VAL   9  11.946   0.029   0.776
   76    H    ASN  10           H        ASN  10   7.506   1.188  -0.950
   77    HA   ASN  10           HA       ASN  10   9.298   1.895  -2.957
   78    HB2  ASN  10           HB2      ASN  10   6.925   1.582  -3.329
   79    HB3  ASN  10           HB3      ASN  10   6.518   2.928  -2.264
   80   HD21  ASN  10          HD22      ASN  10   6.046   4.840  -3.286
   81   HD22  ASN  10          HD21      ASN  10   6.563   5.221  -4.923
   82    H    HIS  11           H        HIS  11   8.038   4.120  -0.422
   83    HA   HIS  11           HA       HIS  11   9.391   6.491  -1.407
   84    HB2  HIS  11           HB2      HIS  11   8.707   7.443   0.728
   85    HB3  HIS  11           HB3      HIS  11   7.378   6.508   0.056
   86    HD2  HIS  11           HD2      HIS  11   8.955   7.110   3.265
   87    HE1  HIS  11           HE1      HIS  11   7.764   3.034   3.631
   88    HE2  HIS  11           HE2      HIS  11   8.564   5.084   4.906
   89    H    ARG  12           H        ARG  12  10.350   3.983   0.993
   90    HA   ARG  12           HA       ARG  12  12.824   5.290   1.706
   91    HB2  ARG  12           HB2      ARG  12  11.574   3.406   2.949
   92    HB3  ARG  12           HB3      ARG  12  12.293   2.292   1.774
   93    HG2  ARG  12           HG2      ARG  12  14.582   3.129   2.482
   94    HG3  ARG  12           HG3      ARG  12  13.785   4.185   3.647
   95    HD2  ARG  12           HD2      ARG  12  14.489   2.330   4.892
   96    HD3  ARG  12           HD3      ARG  12  12.743   2.102   4.682
   97    HE   ARG  12           HE       ARG  12  14.281   0.780   2.594
   98   HH11  ARG  12          HH11      ARG  12  13.379   0.331   5.954
   99   HH12  ARG  12          HH12      ARG  12  13.638  -1.390   5.897
  100   HH21  ARG  12          HH21      ARG  12  14.610  -1.434   2.594
  101   HH22  ARG  12          HH22      ARG  12  14.312  -2.349   4.039
  102    H    GLU  13           H        GLU  13  11.953   2.952  -0.852
  103    HA   GLU  13           HA       GLU  13  14.607   2.629  -1.870
  104    HB2  GLU  13           HB2      GLU  13  12.682   1.116  -2.294
  105    HB3  GLU  13           HB3      GLU  13  11.962   2.343  -3.343
  106    HG2  GLU  13           HG2      GLU  13  13.887   2.229  -4.862
  107    HG3  GLU  13           HG3      GLU  13  14.713   1.110  -3.773
  108    H    VAL  14           H        VAL  14  12.023   5.022  -2.844
  109    HA   VAL  14           HA       VAL  14  13.847   6.278  -4.726
  110    HB   VAL  14           HB       VAL  14  12.263   8.205  -4.719
  111   HG11  VAL  14          HG11      VAL  14  11.165   5.452  -5.396
  112   HG12  VAL  14          HG12      VAL  14  10.621   6.992  -6.084
  113   HG13  VAL  14          HG13      VAL  14  12.257   6.421  -6.410
  114   HG21  VAL  14          HG21      VAL  14  10.122   8.149  -3.887
  115   HG22  VAL  14          HG22      VAL  14  10.277   6.487  -3.332
  116   HG23  VAL  14          HG23      VAL  14  11.171   7.796  -2.506
  117    H    ASP  15           H        ASP  15  13.269   6.867  -1.242
  118    HA   ASP  15           HA       ASP  15  14.913   9.239  -1.194
  119    HB2  ASP  15           HB2      ASP  15  13.302   8.546   0.598
  120    HB3  ASP  15           HB3      ASP  15  14.437   7.266   1.064
  121    H    GLU  16           H        GLU  16  15.730   5.750  -0.710
  122    HA   GLU  16           HA       GLU  16  18.543   6.095  -0.373
  123    HB2  GLU  16           HB2      GLU  16  17.395   3.971   0.065
  124    HB3  GLU  16           HB3      GLU  16  16.891   3.865  -1.614
  125    HG2  GLU  16           HG2      GLU  16  18.676   2.340  -1.308
  126    HG3  GLU  16           HG3      GLU  16  19.232   3.637  -2.352
  127    H    ALA  17           H        ALA  17  16.574   5.798  -3.379
  128    HA   ALA  17           HA       ALA  17  18.785   5.879  -5.160
  129    HB1  ALA  17           HB1      ALA  17  15.920   6.827  -5.637
  130    HB2  ALA  17           HB2      ALA  17  17.119   6.429  -6.882
  131    HB3  ALA  17           HB3      ALA  17  16.506   5.152  -5.817
  132    H    ILE  18           H        ILE  18  16.787   8.543  -3.798
  133    HA   ILE  18           HA       ILE  18  18.173  10.740  -4.989
  134    HB   ILE  18           HB       ILE  18  16.574  10.349  -2.456
  135   HG12  ILE  18          HG12      ILE  18  16.035  12.210  -4.789
  136   HG13  ILE  18          HG13      ILE  18  15.643  10.491  -4.889
  137   HG21  ILE  18          HG21      ILE  18  18.151  12.058  -1.760
  138   HG22  ILE  18          HG22      ILE  18  17.927  12.944  -3.283
  139   HG23  ILE  18          HG23      ILE  18  16.613  12.831  -2.093
  140   HD11  ILE  18          HD11      ILE  18  14.538  12.382  -2.776
  141   HD12  ILE  18          HD12      ILE  18  13.688  11.770  -4.208
  142   HD13  ILE  18          HD13      ILE  18  14.180  10.653  -2.931
  143    H    ASP  19           H        ASP  19  18.903   9.013  -1.877
  144    HA   ASP  19           HA       ASP  19  21.144  10.661  -1.285
  145    HB2  ASP  19           HB2      ASP  19  19.733   8.714   0.041
  146    HB3  ASP  19           HB3      ASP  19  21.204   7.825  -0.339
  147    H    ASN  20           H        ASN  20  20.990   7.636  -3.201
  148    HA   ASN  20           HA       ASN  20  23.851   7.482  -3.652
  149    HB2  ASN  20           HB2      ASN  20  21.431   6.262  -5.043
  150    HB3  ASN  20           HB3      ASN  20  23.069   6.051  -5.659
  151   HD21  ASN  20          HD22      ASN  20  21.024   5.458  -2.807
  152   HD22  ASN  20          HD21      ASN  20  21.985   4.127  -2.190
  153    H    ILE  21           H        ILE  21  21.200   9.105  -5.459
  154    HA   ILE  21           HA       ILE  21  22.866  10.110  -7.597
  155    HB   ILE  21           HB       ILE  21  20.181  10.916  -6.434
  156   HG12  ILE  21          HG12      ILE  21  20.913   9.969  -9.236
  157   HG13  ILE  21          HG13      ILE  21  20.551   8.840  -7.927
  158   HG21  ILE  21          HG21      ILE  21  21.102  13.043  -7.138
  159   HG22  ILE  21          HG22      ILE  21  21.728  12.329  -8.642
  160   HG23  ILE  21          HG23      ILE  21  19.986  12.528  -8.382
  161   HD11  ILE  21          HD11      ILE  21  18.299   9.867  -7.650
  162   HD12  ILE  21          HD12      ILE  21  18.628  10.908  -9.062
  163   HD13  ILE  21          HD13      ILE  21  18.563   9.155  -9.250
  164    H    LEU  22           H        LEU  22  21.913  11.509  -4.428
  165    HA   LEU  22           HA       LEU  22  23.248  13.975  -4.641
  166    HB2  LEU  22           HB2      LEU  22  21.558  13.326  -2.957
  167    HB3  LEU  22           HB3      LEU  22  22.662  12.149  -2.274
  168    HG   LEU  22           HG       LEU  22  24.191  14.008  -1.598
  169   HD11  LEU  22          HD11      LEU  22  23.453  15.738  -3.201
  170   HD12  LEU  22          HD12      LEU  22  21.824  15.733  -2.482
  171   HD13  LEU  22          HD13      LEU  22  23.227  16.303  -1.547
  172   HD21  LEU  22          HD21      LEU  22  22.761  14.746   0.283
  173   HD22  LEU  22          HD22      LEU  22  21.327  14.107  -0.563
  174   HD23  LEU  22          HD23      LEU  22  22.622  13.013  -0.017
  175    H    ARG  23           H        ARG  23  24.508  10.857  -3.335
  176    HA   ARG  23           HA       ARG  23  27.186  11.833  -2.842
  177    HB2  ARG  23           HB2      ARG  23  26.026   9.045  -3.211
  178    HB3  ARG  23           HB3      ARG  23  27.700   9.352  -2.722
  179    HG2  ARG  23           HG2      ARG  23  27.028  10.415  -0.669
  180    HG3  ARG  23           HG3      ARG  23  25.333  10.459  -1.160
  181    HD2  ARG  23           HD2      ARG  23  25.395   7.915  -1.262
  182    HD3  ARG  23           HD3      ARG  23  26.967   7.999  -0.458
  183    HE   ARG  23           HE       ARG  23  24.287   8.815   0.628
  184   HH11  ARG  23          HH22      ARG  23  27.681   8.329   1.477
  185   HH12  ARG  23          HH21      ARG  23  27.319   8.479   3.175
  186   HH21  ARG  23          HH12      ARG  23  23.933   9.002   2.602
  187   HH22  ARG  23          HH11      ARG  23  25.192   8.869   3.845
  188    H    TYR  24           H        TYR  24  25.804  10.114  -5.676
  189    HA   TYR  24           HA       TYR  24  28.237   9.894  -7.140
  190    HB2  TYR  24           HB2      TYR  24  26.303   8.558  -7.662
  191    HB3  TYR  24           HB3      TYR  24  25.312   9.984  -7.929
  192    HD1  TYR  24           HD2      TYR  24  28.665   8.819  -9.278
  193    HD2  TYR  24           HD1      TYR  24  24.650  10.169 -10.141
  194    HE1  TYR  24           HE2      TYR  24  29.151   8.722 -11.707
  195    HE2  TYR  24           HE1      TYR  24  25.140  10.032 -12.575
  196    HH   TYR  24           HH       TYR  24  28.332   9.013 -13.849
  197    H    THR  25           H        THR  25  25.707  12.456  -7.258
  198    HA   THR  25           HA       THR  25  27.119  14.030  -9.259
  199    HB   THR  25           HB       THR  25  25.465  15.783  -8.717
  200    HG1  THR  25           HG1      THR  25  24.252  13.910  -6.997
  201   HG21  THR  25          HG21      THR  25  23.435  14.588  -9.454
  202   HG22  THR  25          HG22      THR  25  24.856  14.154 -10.418
  203   HG23  THR  25          HG23      THR  25  24.252  13.030  -9.186
  204    H    ASN  26           H        ASN  26  27.588  13.748  -5.864
  205    HA   ASN  26           HA       ASN  26  28.704  14.914  -4.322
  206    HB2  ASN  26           HB2      ASN  26  30.980  15.574  -4.924
  207    HB3  ASN  26           HB3      ASN  26  30.524  14.002  -5.545
  208   HD21  ASN  26          HD22      ASN  26  30.651  13.623  -7.786
  209   HD22  ASN  26          HD21      ASN  26  31.201  14.865  -8.896
  210    H    SER  27           H        SER  27  26.516  16.328  -5.255
  211    HA   SER  27           HA       SER  27  27.327  19.173  -4.720
  212    HB2  SER  27           HB2      SER  27  25.002  18.055  -6.312
  213    HB3  SER  27           HB3      SER  27  25.138  19.752  -5.814
  214    HG   SER  27           HG       SER  27  26.144  19.766  -7.738
  215    H    THR  28           H        THR  28  25.414  20.452  -3.685
  216    HA   THR  28           HA       THR  28  24.631  19.060  -1.211
  217    HB   THR  28           HB       THR  28  23.775  21.163  -0.456
  218    HG1  THR  28           HG1      THR  28  24.113  22.935  -2.156
  219   HG21  THR  28          HG21      THR  28  26.288  21.838  -2.042
  220   HG22  THR  28          HG22      THR  28  25.679  22.638  -0.576
  221   HG23  THR  28          HG23      THR  28  26.281  20.972  -0.488
  222    H    GLU  29           H        GLU  29  22.406  18.997  -0.425
  223    HA   GLU  29           HA       GLU  29  20.452  18.093  -2.348
  224    HB2  GLU  29           HB2      GLU  29  20.103  19.078   0.515
  225    HB3  GLU  29           HB3      GLU  29  18.885  18.206  -0.438
  226    HG2  GLU  29           HG2      GLU  29  20.391  16.282  -0.644
  227    HG3  GLU  29           HG3      GLU  29  21.620  17.088   0.339
  228    H    GLN  30           H        GLN  30  21.177  21.314  -1.006
  229    HA   GLN  30           HA       GLN  30  18.770  22.588  -1.976
  230    HB2  GLN  30           HB2      GLN  30  21.507  23.709  -1.253
  231    HB3  GLN  30           HB3      GLN  30  20.099  24.694  -1.632
  232    HG2  GLN  30           HG2      GLN  30  20.252  22.713   0.688
  233    HG3  GLN  30           HG3      GLN  30  20.547  24.438   0.810
  234   HE21  GLN  30          HE22      GLN  30  18.696  23.675   2.517
  235   HE22  GLN  30          HE21      GLN  30  17.088  24.083   1.943
  236    H    GLN  31           H        GLN  31  22.097  22.260  -3.417
  237    HA   GLN  31           HA       GLN  31  21.300  23.656  -5.827
  238    HB2  GLN  31           HB2      GLN  31  23.690  21.995  -5.020
  239    HB3  GLN  31           HB3      GLN  31  23.389  22.321  -6.720
  240    HG2  GLN  31           HG2      GLN  31  24.876  24.004  -5.942
  241    HG3  GLN  31           HG3      GLN  31  23.331  24.760  -6.293
  242   HE21  GLN  31          HE22      GLN  31  22.094  25.697  -4.489
  243   HE22  GLN  31          HE21      GLN  31  22.882  25.894  -2.926
  244    H    PHE  32           H        PHE  32  21.127  20.189  -4.891
  245    HA   PHE  32           HA       PHE  32  20.217  19.307  -7.478
  246    HB2  PHE  32           HB2      PHE  32  21.106  17.846  -5.670
  247    HB3  PHE  32           HB3      PHE  32  19.667  18.169  -4.720
  248    HD1  PHE  32           HD1      PHE  32  19.016  17.649  -8.338
  249    HD2  PHE  32           HD2      PHE  32  19.649  15.666  -4.554
  250    HE1  PHE  32           HE1      PHE  32  17.940  15.614  -9.218
  251    HE2  PHE  32           HE2      PHE  32  18.583  13.623  -5.461
  252    HZ   PHE  32           HZ       PHE  32  17.684  13.605  -7.779
  253    H    LEU  33           H        LEU  33  18.393  20.542  -4.601
  254    HA   LEU  33           HA       LEU  33  15.806  20.376  -5.777
  255    HB2  LEU  33           HB2      LEU  33  16.307  20.696  -3.406
  256    HB3  LEU  33           HB3      LEU  33  16.939  22.290  -3.700
  257    HG   LEU  33           HG       LEU  33  14.689  22.205  -2.654
  258   HD11  LEU  33          HD11      LEU  33  15.488  24.227  -3.894
  259   HD12  LEU  33          HD12      LEU  33  14.573  23.666  -5.313
  260   HD13  LEU  33          HD13      LEU  33  13.729  24.043  -3.809
  261   HD21  LEU  33          HD21      LEU  33  13.679  21.327  -5.390
  262   HD22  LEU  33          HD22      LEU  33  13.721  20.323  -3.919
  263   HD23  LEU  33          HD23      LEU  33  12.700  21.769  -3.984
  264    H    GLU  34           H        GLU  34  18.106  23.127  -5.826
  265    HA   GLU  34           HA       GLU  34  16.513  24.822  -7.468
  266    HB2  GLU  34           HB2      GLU  34  19.530  24.576  -7.153
  267    HB3  GLU  34           HB3      GLU  34  18.769  25.836  -8.125
  268    HG2  GLU  34           HG2      GLU  34  17.559  26.695  -6.185
  269    HG3  GLU  34           HG3      GLU  34  18.238  25.442  -5.150
  270    H    ALA  35           H        ALA  35  18.845  22.295  -8.474
  271    HA   ALA  35           HA       ALA  35  18.509  22.798 -11.284
  272    HB1  ALA  35           HB1      ALA  35  19.631  20.615 -11.540
  273    HB2  ALA  35           HB2      ALA  35  20.443  21.629 -10.336
  274    HB3  ALA  35           HB3      ALA  35  19.407  20.290  -9.800
  275    H    MET  36           H        MET  36  16.801  20.489  -9.068
  276    HA   MET  36           HA       MET  36  15.113  19.375 -11.130
  277    HB2  MET  36           HB2      MET  36  14.777  19.674  -8.112
  278    HB3  MET  36           HB3      MET  36  13.619  18.823  -9.131
  279    HG2  MET  36           HG2      MET  36  16.557  18.090  -9.028
  280    HG3  MET  36           HG3      MET  36  15.360  17.384  -7.953
  281    HE1  MET  36           HE1      MET  36  13.788  15.498  -8.501
  282    HE2  MET  36           HE2      MET  36  12.836  16.590  -9.535
  283    HE3  MET  36           HE3      MET  36  13.321  14.987 -10.132
  284    H    GLU  37           H        GLU  37  14.612  22.257  -8.993
  285    HA   GLU  37           HA       GLU  37  12.018  22.856 -10.128
  286    HB2  GLU  37           HB2      GLU  37  14.068  24.554  -8.649
  287    HB3  GLU  37           HB3      GLU  37  12.482  25.143  -9.118
  288    HG2  GLU  37           HG2      GLU  37  12.999  22.777  -7.266
  289    HG3  GLU  37           HG3      GLU  37  12.571  24.405  -6.757
  290    H    SER  38           H        SER  38  15.331  23.861 -11.074
  291    HA   SER  38           HA       SER  38  14.411  25.727 -13.093
  292    HB2  SER  38           HB2      SER  38  17.139  24.433 -12.761
  293    HB3  SER  38           HB3      SER  38  16.753  25.824 -13.786
  294    HG   SER  38           HG       SER  38  16.698  25.618 -10.961
  295    H    THR  39           H        THR  39  14.988  22.256 -13.163
  296    HA   THR  39           HA       THR  39  14.973  22.232 -16.159
  297    HB   THR  39           HB       THR  39  15.708  19.914 -15.993
  298    HG1  THR  39           HG1      THR  39  16.046  20.380 -13.230
  299   HG21  THR  39          HG21      THR  39  17.416  21.874 -14.394
  300   HG22  THR  39          HG22      THR  39  17.966  20.310 -15.019
  301   HG23  THR  39          HG23      THR  39  17.455  21.589 -16.143
  302    H    GLY  40           H        GLY  40  12.637  22.113 -13.822
  303    HA2  GLY  40           HA2      GLY  40  10.361  21.781 -14.205
  304    HA3  GLY  40           HA3      GLY  40  10.709  21.003 -15.748
  305    H    GLY  41           H        GLY  41  12.249  19.942 -12.751
  306    HA2  GLY  41           HA2      GLY  41  11.812  18.226 -11.286
  307    HA3  GLY  41           HA3      GLY  41  10.281  17.913 -12.111
  308    H    ARG  42           H        ARG  42  12.801  17.765 -14.429
  309    HA   ARG  42           HA       ARG  42  12.531  14.817 -14.602
  310    HB2  ARG  42           HB2      ARG  42  13.823  16.924 -16.353
  311    HB3  ARG  42           HB3      ARG  42  14.100  15.182 -16.542
  312    HG2  ARG  42           HG2      ARG  42  11.536  14.900 -16.561
  313    HG3  ARG  42           HG3      ARG  42  11.449  16.647 -16.811
  314    HD2  ARG  42           HD2      ARG  42  13.161  14.757 -18.472
  315    HD3  ARG  42           HD3      ARG  42  11.454  15.102 -18.862
  316    HE   ARG  42           HE       ARG  42  12.734  17.607 -18.594
  317   HH11  ARG  42          HH12      ARG  42  12.823  14.932 -20.854
  318   HH12  ARG  42          HH11      ARG  42  13.275  15.948 -22.192
  319   HH21  ARG  42          HH21      ARG  42  13.288  18.858 -20.356
  320   HH22  ARG  42          HH22      ARG  42  13.533  18.121 -21.909
  321    H    VAL  43           H        VAL  43  13.742  13.556 -13.321
  322    HA   VAL  43           HA       VAL  43  16.064  14.435 -11.955
  323    HB   VAL  43           HB       VAL  43  14.661  12.512 -11.285
  324   HG11  VAL  43          HG11      VAL  43  14.566  11.281 -13.480
  325   HG12  VAL  43          HG12      VAL  43  16.275  10.833 -13.254
  326   HG13  VAL  43          HG13      VAL  43  15.044  10.284 -12.108
  327   HG21  VAL  43          HG21      VAL  43  16.861  12.936 -10.251
  328   HG22  VAL  43          HG22      VAL  43  16.508  11.199 -10.339
  329   HG23  VAL  43          HG23      VAL  43  17.649  11.927 -11.478
  330    H    ARG  44           H        ARG  44  15.880  12.800 -15.155
  331    HA   ARG  44           HA       ARG  44  18.684  12.358 -15.417
  332    HB2  ARG  44           HB2      ARG  44  18.252  11.946 -17.737
  333    HB3  ARG  44           HB3      ARG  44  17.011  11.206 -16.737
  334    HG2  ARG  44           HG2      ARG  44  15.444  13.118 -17.327
  335    HG3  ARG  44           HG3      ARG  44  16.688  13.753 -18.407
  336    HD2  ARG  44           HD2      ARG  44  15.462  10.975 -18.606
  337    HD3  ARG  44           HD3      ARG  44  14.935  12.379 -19.547
  338    HE   ARG  44           HE       ARG  44  17.644  12.232 -20.085
  339   HH11  ARG  44          HH22      ARG  44  14.986   9.993 -20.537
  340   HH12  ARG  44          HH21      ARG  44  15.757   9.207 -21.884
  341   HH21  ARG  44          HH11      ARG  44  18.581  11.172 -21.804
  342   HH22  ARG  44          HH12      ARG  44  17.745   9.864 -22.574
  343    H    ILE  45           H        ILE  45  16.770  15.245 -16.248
  344    HA   ILE  45           HA       ILE  45  19.052  16.578 -17.520
  345    HB   ILE  45           HB       ILE  45  16.479  17.867 -16.582
  346   HG12  ILE  45          HG12      ILE  45  15.759  16.061 -18.011
  347   HG13  ILE  45          HG13      ILE  45  15.551  17.591 -18.818
  348   HG21  ILE  45          HG21      ILE  45  18.478  18.616 -18.771
  349   HG22  ILE  45          HG22      ILE  45  16.984  19.490 -18.399
  350   HG23  ILE  45          HG23      ILE  45  18.299  19.433 -17.219
  351   HD11  ILE  45          HD11      ILE  45  17.844  15.656 -19.376
  352   HD12  ILE  45          HD12      ILE  45  16.348  15.795 -20.320
  353   HD13  ILE  45          HD13      ILE  45  17.491  17.150 -20.261
  354    H    ALA  46           H        ALA  46  17.500  16.612 -14.296
  355    HA   ALA  46           HA       ALA  46  19.073  18.751 -13.229
  356    HB1  ALA  46           HB1      ALA  46  18.273  17.910 -11.052
  357    HB2  ALA  46           HB2      ALA  46  16.959  17.963 -12.246
  358    HB3  ALA  46           HB3      ALA  46  17.714  16.408 -11.829
  359    H    ILE  47           H        ILE  47  19.609  15.146 -13.074
  360    HA   ILE  47           HA       ILE  47  22.154  15.495 -11.743
  361    HB   ILE  47           HB       ILE  47  22.608  13.193 -12.086
  362   HG12  ILE  47          HG12      ILE  47  20.265  13.111 -14.007
  363   HG13  ILE  47          HG13      ILE  47  21.965  12.856 -14.396
  364   HG21  ILE  47          HG21      ILE  47  21.000  13.954 -10.341
  365   HG22  ILE  47          HG22      ILE  47  19.659  13.533 -11.416
  366   HG23  ILE  47          HG23      ILE  47  20.757  12.270 -10.842
  367   HD11  ILE  47          HD11      ILE  47  20.194  11.031 -12.723
  368   HD12  ILE  47          HD12      ILE  47  20.866  10.719 -14.327
  369   HD13  ILE  47          HD13      ILE  47  21.954  10.820 -12.929
  370    H    ALA  48           H        ALA  48  21.299  15.303 -15.269
  371    HA   ALA  48           HA       ALA  48  23.957  15.430 -16.220
  372    HB1  ALA  48           HB1      ALA  48  21.368  16.630 -17.298
  373    HB2  ALA  48           HB2      ALA  48  22.870  16.436 -18.230
  374    HB3  ALA  48           HB3      ALA  48  22.010  15.007 -17.627
  375    H    LYS  49           H        LYS  49  21.805  18.211 -15.267
  376    HA   LYS  49           HA       LYS  49  23.772  20.232 -15.809
  377    HB2  LYS  49           HB2      LYS  49  21.317  20.139 -14.006
  378    HB3  LYS  49           HB3      LYS  49  22.301  21.590 -14.171
  379    HG2  LYS  49           HG2      LYS  49  21.024  20.196 -16.560
  380    HG3  LYS  49           HG3      LYS  49  20.242  21.482 -15.634
  381    HD2  LYS  49           HD2      LYS  49  22.088  23.032 -16.184
  382    HD3  LYS  49           HD3      LYS  49  22.901  21.759 -17.119
  383    HE2  LYS  49           HE2      LYS  49  20.934  21.575 -18.613
  384    HE3  LYS  49           HE3      LYS  49  20.097  22.825 -17.686
  385    HZ1  LYS  49           HZ1      LYS  49  21.860  24.402 -18.335
  386    HZ2  LYS  49           HZ2      LYS  49  22.627  23.249 -19.207
  387    HZ3  LYS  49           HZ3      LYS  49  21.149  23.778 -19.663
  388    H    LEU  50           H        LEU  50  23.165  18.349 -12.836
  389    HA   LEU  50           HA       LEU  50  25.226  19.713 -11.284
  390    HB2  LEU  50           HB2      LEU  50  23.539  17.229 -11.003
  391    HB3  LEU  50           HB3      LEU  50  25.025  17.324 -10.080
  392    HG   LEU  50           HG       LEU  50  24.343  19.319  -8.938
  393   HD11  LEU  50          HD11      LEU  50  22.994  20.456 -10.666
  394   HD12  LEU  50          HD12      LEU  50  21.740  19.207 -10.499
  395   HD13  LEU  50          HD13      LEU  50  22.114  20.295  -9.145
  396   HD21  LEU  50          HD21      LEU  50  22.470  18.426  -7.643
  397   HD22  LEU  50          HD22      LEU  50  22.068  17.286  -8.954
  398   HD23  LEU  50          HD23      LEU  50  23.587  17.125  -8.052
  399    H    LEU  51           H        LEU  51  25.368  16.782 -13.375
  400    HA   LEU  51           HA       LEU  51  28.167  16.295 -12.750
  401    HB2  LEU  51           HB2      LEU  51  26.332  15.392 -15.001
  402    HB3  LEU  51           HB3      LEU  51  27.989  14.827 -14.838
  403    HG   LEU  51           HG       LEU  51  25.925  14.454 -12.629
  404   HD11  LEU  51          HD11      LEU  51  25.666  12.170 -13.442
  405   HD12  LEU  51          HD12      LEU  51  25.184  13.318 -14.692
  406   HD13  LEU  51          HD13      LEU  51  26.762  12.499 -14.808
  407   HD21  LEU  51          HD21      LEU  51  28.241  14.257 -11.851
  408   HD22  LEU  51          HD22      LEU  51  27.451  12.673 -11.873
  409   HD23  LEU  51          HD23      LEU  51  28.598  13.109 -13.158
  410    H    SER  52           H        SER  52  26.547  18.348 -15.100
  411    HA   SER  52           HA       SER  52  28.924  18.941 -16.659
  412    HB2  SER  52           HB2      SER  52  26.267  20.399 -16.536
  413    HB3  SER  52           HB3      SER  52  27.529  20.629 -17.755
  414    HG   SER  52           HG       SER  52  25.958  18.306 -17.273
  415    H    LYS  53           H        LYS  53  28.652  19.708 -13.554
  416    HA   LYS  53           HA       LYS  53  29.032  22.490 -13.304
  417    HB2  LYS  53           HB2      LYS  53  30.026  21.968 -11.118
  418    HB3  LYS  53           HB3      LYS  53  28.554  21.039 -11.419
  419    HG2  LYS  53           HG2      LYS  53  29.858  19.025 -11.921
  420    HG3  LYS  53           HG3      LYS  53  31.370  19.937 -11.840
  421    HD2  LYS  53           HD2      LYS  53  31.165  18.673  -9.827
  422    HD3  LYS  53           HD3      LYS  53  30.969  20.383  -9.426
  423    HE2  LYS  53           HE2      LYS  53  28.481  20.064  -9.393
  424    HE3  LYS  53           HE3      LYS  53  28.711  18.361  -9.801
  425    HZ1  LYS  53           HZ1      LYS  53  29.724  19.640  -7.313
  426    HZ2  LYS  53           HZ2      LYS  53  28.407  18.667  -7.423
  427    HZ3  LYS  53           HZ3      LYS  53  29.907  18.054  -7.710
  428    H    GLN  54           H        GLN  54  31.315  20.202 -14.549
  429    HA   GLN  54           HA       GLN  54  33.200  22.368 -15.163
  430    HB2  GLN  54           HB2      GLN  54  35.155  21.226 -14.317
  431    HB3  GLN  54           HB3      GLN  54  34.018  21.522 -13.005
  432    HG2  GLN  54           HG2      GLN  54  33.250  19.121 -13.179
  433    HG3  GLN  54           HG3      GLN  54  34.485  18.851 -14.411
  434   HE21  GLN  54          HE22      GLN  54  36.820  19.150 -13.730
  435   HE22  GLN  54          HE21      GLN  54  37.203  18.899 -12.033
  436    H    THR  55           H        THR  55  34.909  21.638 -16.695
  437    HA   THR  55           HA       THR  55  34.111  19.355 -18.450
  438    HB   THR  55           HB       THR  55  34.648  20.740 -20.423
  439    HG1  THR  55           HG1      THR  55  34.801  22.990 -20.157
  440   HG21  THR  55          HG21      THR  55  32.477  22.028 -18.717
  441   HG22  THR  55          HG22      THR  55  32.601  22.057 -20.490
  442   HG23  THR  55          HG23      THR  55  32.283  20.533 -19.649
  443    H    SER  56           H        SER  56  35.787  18.505 -19.817
  444    HA   SER  56           HA       SER  56  38.354  18.362 -18.443
  445    HB2  SER  56           HB2      SER  56  38.839  16.640 -20.167
  446    HB3  SER  56           HB3      SER  56  37.341  16.349 -19.273
  447    HG   SER  56           HG       SER  56  37.077  16.064 -21.559
  448    H    GLY  57           H        GLY  57  37.174  20.084 -21.259
  449    HA2  GLY  57           HA2      GLY  57  39.292  21.881 -21.519
  450    HA3  GLY  57           HA3      GLY  57  39.711  20.522 -22.565
  451    H    GLY  58           H        GLY  58  39.570  22.549 -24.015
  452    HA2  GLY  58           HA2      GLY  58  36.957  23.370 -25.022
  453    HA3  GLY  58           HA3      GLY  58  38.531  23.737 -25.717
  454    H    SER  59           H        SER  59  36.644  23.290 -27.474
  455    HA   SER  59           HA       SER  59  37.396  20.755 -28.785
  456    HB2  SER  59           HB2      SER  59  35.283  20.353 -27.446
  457    HB3  SER  59           HB3      SER  59  34.477  21.536 -28.492
  458    HG   SER  59           HG       SER  59  34.254  19.327 -29.220
  459    H    GLY  60           H        GLY  60  36.833  20.704 -31.065
  460    HA2  GLY  60           HA2      GLY  60  37.495  23.186 -32.401
  461    HA3  GLY  60           HA3      GLY  60  37.142  21.642 -33.167
  462    H    GLY  61           H        GLY  61  36.345  24.236 -34.083
  463    HA2  GLY  61           HA2      GLY  61  33.524  24.705 -33.550
  464    HA3  GLY  61           HA3      GLY  61  34.537  25.484 -34.767
  465    H    SER  62           H        SER  62  35.033  22.386 -35.549
  466    HA   SER  62           HA       SER  62  32.542  21.847 -37.056
  467    HB2  SER  62           HB2      SER  62  33.755  21.676 -39.182
  468    HB3  SER  62           HB3      SER  62  33.865  23.309 -38.520
  469    HG   SER  62           HG       SER  62  35.910  22.598 -39.255
  470    H    LYS  63           H        LYS  63  32.669  19.740 -38.242
  471    HA   LYS  63           HA       LYS  63  33.694  17.640 -36.486
  472    HB2  LYS  63           HB2      LYS  63  31.468  17.622 -37.570
  473    HB3  LYS  63           HB3      LYS  63  32.211  17.458 -39.151
  474    HG2  LYS  63           HG2      LYS  63  32.766  15.448 -36.932
  475    HG3  LYS  63           HG3      LYS  63  31.268  15.390 -37.860
  476    HD2  LYS  63           HD2      LYS  63  32.555  15.161 -39.975
  477    HD3  LYS  63           HD3      LYS  63  34.067  15.121 -39.044
  478    HE2  LYS  63           HE2      LYS  63  33.241  13.149 -37.781
  479    HE3  LYS  63           HE3      LYS  63  31.734  13.183 -38.688
  480    HZ1  LYS  63           HZ1      LYS  63  33.398  11.566 -39.551
  481    HZ2  LYS  63           HZ2      LYS  63  32.942  12.645 -40.706
  482    HZ3  LYS  63           HZ3      LYS  63  34.400  12.787 -39.973
  483    H    LEU  64           H        LEU  64  35.702  16.961 -36.540
  484    HA   LEU  64           HA       LEU  64  37.274  16.948 -39.099
  485    HB2  LEU  64           HB2      LEU  64  38.128  17.445 -36.223
  486    HB3  LEU  64           HB3      LEU  64  39.245  17.313 -37.575
  487    HG   LEU  64           HG       LEU  64  37.086  19.456 -37.342
  488   HD11  LEU  64          HD11      LEU  64  38.948  20.971 -36.838
  489   HD12  LEU  64          HD12      LEU  64  38.834  19.691 -35.624
  490   HD13  LEU  64          HD13      LEU  64  40.093  19.610 -36.878
  491   HD21  LEU  64          HD21      LEU  64  38.373  20.569 -39.152
  492   HD22  LEU  64          HD22      LEU  64  39.413  19.135 -39.289
  493   HD23  LEU  64          HD23      LEU  64  37.684  19.039 -39.694
  494    H    GLY  65           H        GLY  65  35.912  14.751 -36.927
  495    HA2  GLY  65           HA2      GLY  65  37.232  12.501 -38.133
  496    HA3  GLY  65           HA3      GLY  65  37.866  12.785 -36.510
  497    H    GLY  66           H        GLY  66  36.705  10.413 -36.963
  498    HA2  GLY  66           HA2      GLY  66  35.232   8.946 -35.946
  499    HA3  GLY  66           HA3      GLY  66  34.527  10.293 -35.064
  500    H    SER  67           H        SER  67  32.553   9.059 -35.396
  501    HA   SER  67           HA       SER  67  31.367   8.512 -37.913
  502    HB2  SER  67           HB2      SER  67  30.021   8.964 -35.220
  503    HB3  SER  67           HB3      SER  67  29.306   8.151 -36.625
  504    HG   SER  67           HG       SER  67  30.204   6.648 -35.119
  505    H    GLY  68           H        GLY  68  29.421   9.376 -38.863
  506    HA2  GLY  68           HA2      GLY  68  29.399  12.230 -39.274
  507    HA3  GLY  68           HA3      GLY  68  28.224  11.070 -39.880
  508    H    GLY  69           H        GLY  69  27.416  13.556 -39.130
  509    HA2  GLY  69           HA2      GLY  69  26.554  13.850 -36.409
  510    HA3  GLY  69           HA3      GLY  69  25.992  14.786 -37.788
  511    H    SER  70           H        SER  70  24.417  13.935 -35.575
  512    HA   SER  70           HA       SER  70  22.690  11.717 -36.374
  513    HB2  SER  70           HB2      SER  70  21.438  12.333 -34.321
  514    HB3  SER  70           HB3      SER  70  23.159  12.025 -34.042
  515    HG   SER  70           HG       SER  70  22.425  13.930 -32.959
  516    H    ARG  71           H        ARG  71  20.333  11.958 -36.475
  517    HA   ARG  71           HA       ARG  71  19.477  13.917 -38.444
  518    HB2  ARG  71           HB2      ARG  71  18.030  11.786 -36.817
  519    HB3  ARG  71           HB3      ARG  71  17.183  12.869 -37.923
  520    HG2  ARG  71           HG2      ARG  71  18.442  12.072 -39.834
  521    HG3  ARG  71           HG3      ARG  71  19.502  11.109 -38.798
  522    HD2  ARG  71           HD2      ARG  71  17.907   9.668 -39.859
  523    HD3  ARG  71           HD3      ARG  71  17.599   9.694 -38.120
  524    HE   ARG  71           HE       ARG  71  15.794  11.539 -38.858
  525   HH11  ARG  71          HH11      ARG  71  16.441   8.562 -40.633
  526   HH12  ARG  71          HH12      ARG  71  14.775   8.417 -41.119
  527   HH21  ARG  71          HH21      ARG  71  13.759  11.171 -39.299
  528   HH22  ARG  71          HH22      ARG  71  13.271   9.911 -40.427
  529    H    LYS  72           H        LYS  72  17.922  15.510 -38.289
  530    HA   LYS  72           HA       LYS  72  17.863  17.114 -35.867
  531    HB2  LYS  72           HB2      LYS  72  17.831  18.007 -38.199
  532    HB3  LYS  72           HB3      LYS  72  16.201  17.347 -38.415
  533    HG2  LYS  72           HG2      LYS  72  15.356  18.806 -36.605
  534    HG3  LYS  72           HG3      LYS  72  17.001  19.405 -36.304
  535    HD2  LYS  72           HD2      LYS  72  17.075  20.350 -38.600
  536    HD3  LYS  72           HD3      LYS  72  15.434  19.737 -38.906
  537    HE2  LYS  72           HE2      LYS  72  14.575  21.120 -37.021
  538    HE3  LYS  72           HE3      LYS  72  16.205  21.731 -36.722
  539    HZ1  LYS  72           HZ1      LYS  72  14.908  23.281 -38.080
  540    HZ2  LYS  72           HZ2      LYS  72  16.172  22.731 -38.952
  541    HZ3  LYS  72           HZ3      LYS  72  14.666  22.157 -39.238
  542    H    ASP  73           H        ASP  73  15.613  14.830 -37.352
  543    HA   ASP  73           HA       ASP  73  13.590  15.231 -35.244
  544    HB2  ASP  73           HB2      ASP  73  12.157  13.890 -36.519
  545    HB3  ASP  73           HB3      ASP  73  12.941  14.994 -37.643
  546    H    LEU  74           H        LEU  74  12.888  13.615 -33.827
  547    HA   LEU  74           HA       LEU  74  14.864  11.444 -33.227
  548    HB2  LEU  74           HB2      LEU  74  13.155  13.193 -31.430
  549    HB3  LEU  74           HB3      LEU  74  13.703  11.607 -30.918
  550    HG   LEU  74           HG       LEU  74  16.067  12.271 -31.253
  551   HD11  LEU  74          HD11      LEU  74  16.604  14.723 -31.332
  552   HD12  LEU  74          HD12      LEU  74  15.948  14.104 -32.842
  553   HD13  LEU  74          HD13      LEU  74  14.905  15.046 -31.753
  554   HD21  LEU  74          HD21      LEU  74  16.174  13.677 -29.239
  555   HD22  LEU  74          HD22      LEU  74  14.451  14.077 -29.404
  556   HD23  LEU  74          HD23      LEU  74  14.956  12.408 -29.054
  557    H    SER  75           H        SER  75  14.165   9.396 -32.762
  558    HA   SER  75           HA       SER  75  11.530   8.593 -33.781
  559    HB2  SER  75           HB2      SER  75  12.398   6.303 -33.445
  560    HB3  SER  75           HB3      SER  75  13.434   7.305 -34.472
  561    HG   SER  75           HG       SER  75  14.648   6.116 -32.906
  562    H    VAL  76           H        VAL  76  10.123   7.147 -32.613
  563    HA   VAL  76           HA       VAL  76  10.311   6.980 -29.694
  564    HB   VAL  76           HB       VAL  76   9.245   9.179 -30.083
  565   HG11  VAL  76          HG11      VAL  76   8.020   8.716 -32.185
  566   HG12  VAL  76          HG12      VAL  76   6.906   7.653 -31.297
  567   HG13  VAL  76          HG13      VAL  76   6.977   9.384 -30.924
  568   HG21  VAL  76          HG21      VAL  76   8.750   7.851 -28.044
  569   HG22  VAL  76          HG22      VAL  76   7.441   8.940 -28.520
  570   HG23  VAL  76          HG23      VAL  76   7.293   7.208 -28.846
  571    H    LYS  77           H        LYS  77   8.964   5.368 -28.787
  572    HA   LYS  77           HA       LYS  77   7.361   3.649 -30.586
  573    HB2  LYS  77           HB2      LYS  77   8.543   1.627 -29.981
  574    HB3  LYS  77           HB3      LYS  77   9.650   2.766 -30.741
  575    HG2  LYS  77           HG2      LYS  77  10.484   3.430 -28.460
  576    HG3  LYS  77           HG3      LYS  77   9.446   2.195 -27.743
  577    HD2  LYS  77           HD2      LYS  77  11.687   1.678 -29.749
  578    HD3  LYS  77           HD3      LYS  77  11.813   1.486 -27.996
  579    HE2  LYS  77           HE2      LYS  77   9.998  -0.230 -28.062
  580    HE3  LYS  77           HE3      LYS  77   9.928  -0.079 -29.820
  581    HZ1  LYS  77           HZ1      LYS  77  12.321  -0.973 -28.287
  582    HZ2  LYS  77           HZ2      LYS  77  11.337  -1.945 -29.153
  583    HZ3  LYS  77           HZ3      LYS  77  12.251  -0.834 -29.916
  584    H    GLY  78           H        GLY  78   6.143   2.002 -29.483
  585    HA2  GLY  78           HA2      GLY  78   4.829   1.145 -27.769
  586    HA3  GLY  78           HA3      GLY  78   5.609   2.207 -26.604
  587    H    MET  79           H        MET  79   2.928   1.723 -26.489
  588    HA   MET  79           HA       MET  79   1.478   3.982 -27.728
  589    HB2  MET  79           HB2      MET  79  -0.486   2.794 -27.312
  590    HB3  MET  79           HB3      MET  79   0.674   1.594 -27.853
  591    HG2  MET  79           HG2      MET  79  -0.244   2.110 -24.996
  592    HG3  MET  79           HG3      MET  79  -0.714   0.765 -26.021
  593    HE1  MET  79           HE1      MET  79  -0.236  -0.801 -23.913
  594    HE2  MET  79           HE2      MET  79   1.327  -0.863 -23.071
  595    HE3  MET  79           HE3      MET  79   0.326   0.603 -22.977
  596    H    LEU  80           H        LEU  80   2.975   3.405 -24.738
  597    HA   LEU  80           HA       LEU  80   1.504   5.574 -23.367
  598    HB2  LEU  80           HB2      LEU  80   0.388   3.413 -22.823
  599    HB3  LEU  80           HB3      LEU  80   1.935   2.746 -22.307
  600    HG   LEU  80           HG       LEU  80   2.015   4.410 -20.443
  601   HD11  LEU  80          HD11      LEU  80  -0.055   5.636 -19.844
  602   HD12  LEU  80          HD12      LEU  80   0.590   6.216 -21.380
  603   HD13  LEU  80          HD13      LEU  80  -0.807   5.121 -21.366
  604   HD21  LEU  80          HD21      LEU  80  -0.527   2.736 -20.558
  605   HD22  LEU  80          HD22      LEU  80   1.090   2.157 -20.097
  606   HD23  LEU  80          HD23      LEU  80   0.262   3.353 -19.088
  607    H    TYR  81           H        TYR  81   2.731   6.650 -21.798
  608    HA   TYR  81           HA       TYR  81   5.640   5.979 -21.653
  609    HB2  TYR  81           HB2      TYR  81   4.465   8.766 -21.722
  610    HB3  TYR  81           HB3      TYR  81   6.155   8.309 -21.850
  611    HD1  TYR  81           HD2      TYR  81   6.763   6.736 -23.926
  612    HD2  TYR  81           HD1      TYR  81   3.238   9.217 -23.673
  613    HE1  TYR  81           HE2      TYR  81   6.519   6.652 -26.407
  614    HE2  TYR  81           HE1      TYR  81   3.006   9.139 -26.147
  615    HH   TYR  81           HH       TYR  81   3.859   8.343 -28.130
  616    H    ASP  82           H        ASP  82   6.744   6.447 -19.744
  617    HA   ASP  82           HA       ASP  82   5.312   7.434 -17.362
  618    HB2  ASP  82           HB2      ASP  82   4.743   5.021 -17.486
  619    HB3  ASP  82           HB3      ASP  82   6.456   4.616 -17.578
  620    H    SER  83           H        SER  83   6.715   8.008 -15.632
  621    HA   SER  83           HA       SER  83   9.620   7.626 -15.888
  622    HB2  SER  83           HB2      SER  83   9.277   9.666 -17.188
  623    HB3  SER  83           HB3      SER  83   8.394  10.409 -15.844
  624    HG   SER  83           HG       SER  83  10.771  10.862 -16.100
  625    H    ASP  84           H        ASP  84  10.658   7.594 -13.969
  626    HA   ASP  84           HA       ASP  84   9.108   7.660 -11.488
  627    HB2  ASP  84           HB2      ASP  84  10.882   5.961 -12.102
  628    HB3  ASP  84           HB3      ASP  84  12.086   7.234 -11.893
  629    H    SER  85           H        SER  85  10.615  10.071 -13.293
  630    HA   SER  85           HA       SER  85  11.972  11.734 -11.505
  631    HB2  SER  85           HB2      SER  85  10.200  12.347 -13.890
  632    HB3  SER  85           HB3      SER  85  10.996  13.617 -12.970
  633    HG   SER  85           HG       SER  85  12.200  11.520 -14.445
  634    H    GLN  86           H        GLN  86   8.397  11.404 -11.785
  635    HA   GLN  86           HA       GLN  86   7.811  13.686 -10.116
  636    HB2  GLN  86           HB2      GLN  86   6.184  11.202 -10.786
  637    HB3  GLN  86           HB3      GLN  86   5.541  12.589  -9.914
  638    HG2  GLN  86           HG2      GLN  86   6.665  12.696 -12.753
  639    HG3  GLN  86           HG3      GLN  86   4.964  12.564 -12.343
  640   HE21  GLN  86          HE22      GLN  86   5.522  14.634 -13.945
  641   HE22  GLN  86          HE21      GLN  86   5.497  16.137 -13.036
  642    H    GLN  87           H        GLN  87   8.218  10.185  -9.305
  643    HA   GLN  87           HA       GLN  87   7.671  10.564  -6.492
  644    HB2  GLN  87           HB2      GLN  87   9.389   8.406  -7.782
  645    HB3  GLN  87           HB3      GLN  87   8.694   8.405  -6.160
  646    HG2  GLN  87           HG2      GLN  87   6.388   8.595  -7.380
  647    HG3  GLN  87           HG3      GLN  87   7.280   8.050  -8.811
  648   HE21  GLN  87          HE22      GLN  87   8.754   5.969  -8.312
  649   HE22  GLN  87          HE21      GLN  87   7.970   4.777  -7.271
  650    H    ILE  88           H        ILE  88  10.722  10.582  -8.401
  651    HA   ILE  88           HA       ILE  88  12.453  11.065  -6.167
  652    HB   ILE  88           HB       ILE  88  12.754  11.779  -9.111
  653   HG12  ILE  88          HG12      ILE  88  12.602   9.342  -8.645
  654   HG13  ILE  88          HG13      ILE  88  14.137   9.842  -9.324
  655   HG21  ILE  88          HG21      ILE  88  14.775  11.951  -6.836
  656   HG22  ILE  88          HG22      ILE  88  15.233  11.911  -8.545
  657   HG23  ILE  88          HG23      ILE  88  14.260  13.248  -7.932
  658   HD11  ILE  88          HD11      ILE  88  15.241   9.605  -7.141
  659   HD12  ILE  88          HD12      ILE  88  13.683   9.222  -6.369
  660   HD13  ILE  88          HD13      ILE  88  14.378   8.121  -7.566
  661    H    LEU  89           H        LEU  89  10.816  13.463  -8.361
  662    HA   LEU  89           HA       LEU  89  11.815  15.744  -6.996
  663    HB2  LEU  89           HB2      LEU  89  10.676  15.838  -9.218
  664    HB3  LEU  89           HB3      LEU  89   9.187  15.250  -8.494
  665    HG   LEU  89           HG       LEU  89   9.007  17.355  -7.140
  666   HD11  LEU  89          HD11      LEU  89  10.379  19.298  -7.748
  667   HD12  LEU  89          HD12      LEU  89  11.404  18.020  -7.094
  668   HD13  LEU  89          HD13      LEU  89  11.342  18.300  -8.853
  669   HD21  LEU  89          HD21      LEU  89   8.363  18.792  -9.016
  670   HD22  LEU  89          HD22      LEU  89   9.239  17.738 -10.143
  671   HD23  LEU  89          HD23      LEU  89   7.821  17.127  -9.267
  672    H    ASN  90           H        ASN  90   8.705  13.991  -6.390
  673    HA   ASN  90           HA       ASN  90   7.858  15.625  -4.265
  674    HB2  ASN  90           HB2      ASN  90   6.515  13.898  -5.466
  675    HB3  ASN  90           HB3      ASN  90   7.430  12.620  -4.660
  676   HD21  ASN  90          HD22      ASN  90   5.091  12.045  -4.083
  677   HD22  ASN  90          HD21      ASN  90   4.454  12.780  -2.621
  678    H    ARG  91           H        ARG  91   9.804  12.556  -4.007
  679    HA   ARG  91           HA       ARG  91  10.098  12.869  -1.157
  680    HB2  ARG  91           HB2      ARG  91  10.146  10.699  -2.398
  681    HB3  ARG  91           HB3      ARG  91  11.681  11.137  -3.105
  682    HG2  ARG  91           HG2      ARG  91  11.870   9.554  -1.199
  683    HG3  ARG  91           HG3      ARG  91  12.797  11.024  -0.939
  684    HD2  ARG  91           HD2      ARG  91  11.521  10.092   1.064
  685    HD3  ARG  91           HD3      ARG  91  11.352  11.811   0.710
  686    HE   ARG  91           HE       ARG  91   9.284   9.846  -0.253
  687   HH11  ARG  91          HH11      ARG  91   9.912  12.479   2.013
  688   HH12  ARG  91          HH12      ARG  91   8.276  13.115   1.754
  689   HH21  ARG  91          HH21      ARG  91   7.149  10.748  -0.289
  690   HH22  ARG  91          HH22      ARG  91   6.901  12.228   0.638
  691    H    LEU  92           H        LEU  92  12.155  13.987  -3.852
  692    HA   LEU  92           HA       LEU  92  14.366  14.778  -2.179
  693    HB2  LEU  92           HB2      LEU  92  14.539  14.385  -4.571
  694    HB3  LEU  92           HB3      LEU  92  13.405  15.675  -4.928
  695    HG   LEU  92           HG       LEU  92  15.771  16.120  -5.425
  696   HD11  LEU  92          HD11      LEU  92  14.752  18.159  -3.448
  697   HD12  LEU  92          HD12      LEU  92  15.825  18.379  -4.831
  698   HD13  LEU  92          HD13      LEU  92  14.124  17.960  -5.114
  699   HD21  LEU  92          HD21      LEU  92  16.835  15.110  -3.436
  700   HD22  LEU  92          HD22      LEU  92  17.328  16.796  -3.670
  701   HD23  LEU  92          HD23      LEU  92  16.147  16.397  -2.412
  702    H    ARG  93           H        ARG  93  11.567  16.622  -3.494
  703    HA   ARG  93           HA       ARG  93  12.320  19.110  -2.273
  704    HB2  ARG  93           HB2      ARG  93  10.848  18.905  -4.228
  705    HB3  ARG  93           HB3      ARG  93   9.595  18.136  -3.243
  706    HG2  ARG  93           HG2      ARG  93   9.246  20.145  -1.961
  707    HG3  ARG  93           HG3      ARG  93  10.687  20.922  -2.639
  708    HD2  ARG  93           HD2      ARG  93   9.689  21.056  -4.830
  709    HD3  ARG  93           HD3      ARG  93   8.296  20.083  -4.323
  710    HE   ARG  93           HE       ARG  93   7.909  22.010  -2.626
  711   HH11  ARG  93          HH11      ARG  93   9.120  22.676  -5.911
  712   HH12  ARG  93          HH12      ARG  93   8.193  24.139  -5.990
  713   HH21  ARG  93          HH21      ARG  93   6.885  23.944  -2.827
  714   HH22  ARG  93          HH22      ARG  93   7.018  24.867  -4.294
  715    H    GLU  94           H        GLU  94  10.126  16.489  -1.086
  716    HA   GLU  94           HA       GLU  94   9.584  17.883   1.384
  717    HB2  GLU  94           HB2      GLU  94   9.428  14.942   0.664
  718    HB3  GLU  94           HB3      GLU  94   8.877  15.635   2.203
  719    HG2  GLU  94           HG2      GLU  94   7.419  17.214   0.841
  720    HG3  GLU  94           HG3      GLU  94   7.797  16.240  -0.574
  721    H    ARG  95           H        ARG  95  12.119  15.347   0.645
  722    HA   ARG  95           HA       ARG  95  13.038  15.392   3.371
  723    HB2  ARG  95           HB2      ARG  95  14.677  13.870   2.794
  724    HB3  ARG  95           HB3      ARG  95  13.303  13.475   1.794
  725    HG2  ARG  95           HG2      ARG  95  14.638  13.507  -0.016
  726    HG3  ARG  95           HG3      ARG  95  14.885  15.236   0.213
  727    HD2  ARG  95           HD2      ARG  95  17.040  14.324   0.121
  728    HD3  ARG  95           HD3      ARG  95  16.762  14.612   1.850
  729    HE   ARG  95           HE       ARG  95  15.954  11.939   1.312
  730   HH11  ARG  95          HH11      ARG  95  19.046  13.697   1.266
  731   HH12  ARG  95          HH12      ARG  95  19.913  12.142   1.386
  732   HH21  ARG  95          HH21      ARG  95  17.228  10.171   1.669
  733   HH22  ARG  95          HH22      ARG  95  18.994  10.379   1.589
  734    H    VAL  96           H        VAL  96  13.918  17.499   0.688
  735    HA   VAL  96           HA       VAL  96  16.069  18.700   2.318
  736    HB   VAL  96           HB       VAL  96  16.200  18.420  -0.166
  737   HG11  VAL  96          HG11      VAL  96  15.197  19.983  -1.635
  738   HG12  VAL  96          HG12      VAL  96  13.878  19.381  -0.645
  739   HG13  VAL  96          HG13      VAL  96  14.558  20.984  -0.315
  740   HG21  VAL  96          HG21      VAL  96  16.639  21.244   0.900
  741   HG22  VAL  96          HG22      VAL  96  17.742  19.871   1.122
  742   HG23  VAL  96          HG23      VAL  96  17.423  20.505  -0.505
  743    H    SER  97           H        SER  97  12.675  19.615   1.489
  744    HA   SER  97           HA       SER  97  13.111  22.237   2.770
  745    HB2  SER  97           HB2      SER  97  10.979  22.873   1.986
  746    HB3  SER  97           HB3      SER  97  11.849  22.068   0.671
  747    HG   SER  97           HG       SER  97  10.597  20.284   0.917
  748    H    GLY  98           H        GLY  98  11.728  19.166   3.806
  749    HA2  GLY  98           HA2      GLY  98   9.802  20.154   5.644
  750    HA3  GLY  98           HA3      GLY  98  10.503  18.539   5.631
  751    H    SER  99           H        SER  99   9.949  20.985   7.655
  752    HA   SER  99           HA       SER  99  12.365  21.660   8.897
  753    HB2  SER  99           HB2      SER  99   9.641  21.388  10.221
  754    HB3  SER  99           HB3      SER  99  10.997  22.383  10.781
  755    HG   SER  99           HG       SER  99   9.431  23.605   9.581
  756    H    THR 100           H        THR 100  10.561  18.666   9.267
  757    HA   THR 100           HA       THR 100  11.979  17.764  11.677
  758    HB   THR 100           HB       THR 100  10.827  15.588  11.151
  759    HG1  THR 100           HG1      THR 100   9.270  15.647   9.499
  760   HG21  THR 100          HG21      THR 100   9.767  17.292  12.620
  761   HG22  THR 100          HG22      THR 100   8.985  18.025  11.202
  762   HG23  THR 100          HG23      THR 100   8.572  16.370  11.696
  763    H    ALA 101           H        ALA 101  12.528  17.582   8.219
  764    HA   ALA 101           HA       ALA 101  14.580  15.463   8.476
  765    HB1  ALA 101           HB1      ALA 101  13.597  17.044   6.061
  766    HB2  ALA 101           HB2      ALA 101  14.679  15.636   6.038
  767    HB3  ALA 101           HB3      ALA 101  12.998  15.446   6.573
  768    H    GLN 102           H        GLN 102  14.362  18.984   8.018
  769    HA   GLN 102           HA       GLN 102  17.190  19.473   7.661
  770    HB2  GLN 102           HB2      GLN 102  14.875  21.220   8.595
  771    HB3  GLN 102           HB3      GLN 102  16.522  21.815   8.357
  772    HG2  GLN 102           HG2      GLN 102  16.460  21.112   5.986
  773    HG3  GLN 102           HG3      GLN 102  14.801  20.556   6.175
  774   HE21  GLN 102          HE22      GLN 102  15.064  22.289   4.223
  775   HE22  GLN 102          HE21      GLN 102  14.542  23.919   4.696
  776    H    SER 103           H        SER 103  18.635  20.488   9.177
  777    HA   SER 103           HA       SER 103  18.818  19.226  11.729
  778    HB2  SER 103           HB2      SER 103  20.268  21.695  10.708
  779    HB3  SER 103           HB3      SER 103  20.742  20.693  12.094
  780    HG   SER 103           HG       SER 103  21.900  20.099  10.200
  781    H    ALA 104           H        ALA 104  18.697  20.047  13.825
  782    HA   ALA 104           HA       ALA 104  16.615  21.980  14.392
  783    HB1  ALA 104           HB1      ALA 104  18.574  20.555  16.241
  784    HB2  ALA 104           HB2      ALA 104  17.127  21.453  16.738
  785    HB3  ALA 104           HB3      ALA 104  16.957  19.974  15.768
  Start of MODEL   14
    1    H1   SER   1           H1       SER   1  -2.306  -2.345 -14.721
    2    H2   SER   1           H2       SER   1  -1.561  -1.094 -15.467
    3    H3   SER   1           H3       SER   1  -0.685  -2.388 -14.968
    4    HA   SER   1           HA       SER   1  -0.310  -0.561 -13.483
    5    HB2  SER   1           HB2      SER   1  -3.324  -0.626 -13.018
    6    HB3  SER   1           HB3      SER   1  -2.146   0.422 -12.201
    7    HG   SER   1           HG       SER   1  -3.154   1.487 -13.972
    8    H    VAL   2           H        VAL   2  -0.016  -0.828 -11.179
    9    HA   VAL   2           HA       VAL   2  -0.111  -3.619 -10.293
   10    HB   VAL   2           HB       VAL   2   0.990  -2.836  -8.264
   11   HG11  VAL   2          HG11      VAL   2   2.311  -3.410 -10.273
   12   HG12  VAL   2          HG12      VAL   2   2.290  -1.705 -10.777
   13   HG13  VAL   2          HG13      VAL   2   3.103  -2.183  -9.274
   14   HG21  VAL   2          HG21      VAL   2   0.891  -0.026  -9.454
   15   HG22  VAL   2          HG22      VAL   2   0.003  -0.581  -8.015
   16   HG23  VAL   2          HG23      VAL   2   1.769  -0.535  -8.002
   17    H    SER   3           H        SER   3  -1.007  -4.357  -8.263
   18    HA   SER   3           HA       SER   3  -3.740  -3.473  -7.801
   19    HB2  SER   3           HB2      SER   3  -3.745  -5.293  -6.109
   20    HB3  SER   3           HB3      SER   3  -3.262  -5.820  -7.732
   21    HG   SER   3           HG       SER   3  -1.868  -6.672  -6.108
   22    H    ILE   4           H        ILE   4  -4.603  -2.949  -5.681
   23    HA   ILE   4           HA       ILE   4  -3.014  -0.913  -4.282
   24    HB   ILE   4           HB       ILE   4  -5.885  -1.860  -4.020
   25   HG12  ILE   4          HG12      ILE   4  -6.399   0.514  -4.557
   26   HG13  ILE   4          HG13      ILE   4  -4.685   0.856  -4.756
   27   HG21  ILE   4          HG21      ILE   4  -5.167  -1.333  -1.735
   28   HG22  ILE   4          HG22      ILE   4  -4.452   0.204  -2.287
   29   HG23  ILE   4          HG23      ILE   4  -6.207  -0.049  -2.333
   30   HD11  ILE   4          HD11      ILE   4  -4.599  -0.493  -6.775
   31   HD12  ILE   4          HD12      ILE   4  -6.243  -1.127  -6.472
   32   HD13  ILE   4          HD13      ILE   4  -5.992   0.581  -6.883
   33    H    LEU   5           H        LEU   5  -2.033  -1.108  -2.363
   34    HA   LEU   5           HA       LEU   5  -2.271  -3.617  -0.762
   35    HB2  LEU   5           HB2      LEU   5   0.284  -2.228  -1.668
   36    HB3  LEU   5           HB3      LEU   5   0.231  -3.515  -0.471
   37    HG   LEU   5           HG       LEU   5  -0.626  -3.835  -3.384
   38   HD11  LEU   5          HD11      LEU   5   1.915  -4.712  -1.951
   39   HD12  LEU   5          HD12      LEU   5   1.468  -5.101  -3.630
   40   HD13  LEU   5          HD13      LEU   5   1.783  -3.421  -3.168
   41   HD21  LEU   5          HD21      LEU   5  -0.190  -5.897  -1.172
   42   HD22  LEU   5          HD22      LEU   5  -1.752  -5.470  -1.915
   43   HD23  LEU   5          HD23      LEU   5  -0.508  -6.260  -2.883
   44    H    ARG   6           H        ARG   6  -1.701  -3.439   1.440
   45    HA   ARG   6           HA       ARG   6  -2.498  -0.952   2.693
   46    HB2  ARG   6           HB2      ARG   6  -2.979  -3.273   3.517
   47    HB3  ARG   6           HB3      ARG   6  -1.271  -3.452   3.941
   48    HG2  ARG   6           HG2      ARG   6  -1.465  -1.598   5.565
   49    HG3  ARG   6           HG3      ARG   6  -3.148  -1.317   5.067
   50    HD2  ARG   6           HD2      ARG   6  -3.750  -3.587   5.842
   51    HD3  ARG   6           HD3      ARG   6  -2.066  -3.876   6.323
   52    HE   ARG   6           HE       ARG   6  -2.950  -1.496   7.602
   53   HH11  ARG   6          HH11      ARG   6  -3.630  -4.929   7.820
   54   HH12  ARG   6          HH12      ARG   6  -4.106  -4.828   9.492
   55   HH21  ARG   6          HH21      ARG   6  -3.567  -1.429   9.737
   56   HH22  ARG   6          HH22      ARG   6  -4.053  -2.887  10.550
   57    H    SER   7           H        SER   7   0.639  -2.315   1.955
   58    HA   SER   7           HA       SER   7   1.986   0.165   2.839
   59    HB2  SER   7           HB2      SER   7   3.743  -1.088   4.014
   60    HB3  SER   7           HB3      SER   7   2.160  -1.305   4.776
   61    HG   SER   7           HG       SER   7   3.304  -3.302   4.556
   62    H    SER   8           H        SER   8   4.208   0.346   2.050
   63    HA   SER   8           HA       SER   8   5.066  -1.370  -0.175
   64    HB2  SER   8           HB2      SER   8   3.500   0.290  -1.192
   65    HB3  SER   8           HB3      SER   8   4.553   1.601  -0.622
   66    HG   SER   8           HG       SER   8   4.876   0.770  -2.865
   67    H    VAL   9           H        VAL   9   7.155  -0.522  -1.077
   68    HA   VAL   9           HA       VAL   9   8.919   0.663   1.039
   69    HB   VAL   9           HB       VAL   9   9.207  -1.787   0.542
   70   HG11  VAL   9          HG11      VAL   9  10.469  -2.479  -1.406
   71   HG12  VAL   9          HG12      VAL   9   8.968  -1.700  -1.932
   72   HG13  VAL   9          HG13      VAL   9  10.511  -0.821  -2.035
   73   HG21  VAL   9          HG21      VAL   9  11.712  -0.138   0.085
   74   HG22  VAL   9          HG22      VAL   9  10.942  -0.430   1.667
   75   HG23  VAL   9          HG23      VAL   9  11.588  -1.785   0.723
   76    H    ASN  10           H        ASN  10   7.437   1.580  -1.721
   77    HA   ASN  10           HA       ASN  10   9.490   2.477  -3.429
   78    HB2  ASN  10           HB2      ASN  10   7.826   3.754  -4.534
   79    HB3  ASN  10           HB3      ASN  10   7.031   2.290  -3.975
   80   HD21  ASN  10          HD22      ASN  10   6.437   5.478  -4.397
   81   HD22  ASN  10          HD21      ASN  10   5.346   5.738  -3.041
   82    H    HIS  11           H        HIS  11   8.208   4.077  -0.530
   83    HA   HIS  11           HA       HIS  11   9.445   6.648  -0.937
   84    HB2  HIS  11           HB2      HIS  11   8.947   7.010   1.403
   85    HB3  HIS  11           HB3      HIS  11   7.566   6.267   0.606
   86    HD2  HIS  11           HD2      HIS  11   8.680   6.180   3.854
   87    HE1  HIS  11           HE1      HIS  11   8.406   1.980   3.168
   88    HE2  HIS  11           HE2      HIS  11   8.573   3.790   4.951
   89    H    ARG  12           H        ARG  12  10.503   3.782   0.973
   90    HA   ARG  12           HA       ARG  12  13.089   4.810   1.681
   91    HB2  ARG  12           HB2      ARG  12  12.029   3.013   2.891
   92    HB3  ARG  12           HB3      ARG  12  11.894   2.022   1.446
   93    HG2  ARG  12           HG2      ARG  12  13.604   1.303   3.136
   94    HG3  ARG  12           HG3      ARG  12  14.143   1.399   1.470
   95    HD2  ARG  12           HD2      ARG  12  15.782   2.181   3.226
   96    HD3  ARG  12           HD3      ARG  12  15.509   3.256   1.867
   97    HE   ARG  12           HE       ARG  12  14.021   3.684   4.436
   98   HH11  ARG  12          HH21      ARG  12  16.515   4.878   2.272
   99   HH12  ARG  12          HH22      ARG  12  16.338   6.529   2.854
  100   HH21  ARG  12          HH11      ARG  12  14.019   5.791   5.244
  101   HH22  ARG  12          HH12      ARG  12  15.129   6.960   4.569
  102    H    GLU  13           H        GLU  13  12.058   2.795  -1.085
  103    HA   GLU  13           HA       GLU  13  14.644   2.462  -2.228
  104    HB2  GLU  13           HB2      GLU  13  12.595   1.160  -2.751
  105    HB3  GLU  13           HB3      GLU  13  11.918   2.567  -3.581
  106    HG2  GLU  13           HG2      GLU  13  13.755   2.512  -5.226
  107    HG3  GLU  13           HG3      GLU  13  14.525   1.182  -4.349
  108    H    VAL  14           H        VAL  14  12.194   5.062  -2.849
  109    HA   VAL  14           HA       VAL  14  13.911   6.454  -4.727
  110    HB   VAL  14           HB       VAL  14  11.371   7.219  -3.264
  111   HG11  VAL  14          HG11      VAL  14  12.529   9.329  -3.656
  112   HG12  VAL  14          HG12      VAL  14  12.908   8.849  -5.327
  113   HG13  VAL  14          HG13      VAL  14  11.225   9.148  -4.828
  114   HG21  VAL  14          HG21      VAL  14  10.367   6.954  -5.475
  115   HG22  VAL  14          HG22      VAL  14  11.961   6.690  -6.221
  116   HG23  VAL  14          HG23      VAL  14  11.273   5.493  -5.114
  117    H    ASP  15           H        ASP  15  13.405   6.788  -1.185
  118    HA   ASP  15           HA       ASP  15  14.997   9.144  -0.851
  119    HB2  ASP  15           HB2      ASP  15  13.362   8.140   0.743
  120    HB3  ASP  15           HB3      ASP  15  14.473   6.805   1.040
  121    H    GLU  16           H        GLU  16  15.878   5.652  -0.709
  122    HA   GLU  16           HA       GLU  16  18.710   5.984  -0.430
  123    HB2  GLU  16           HB2      GLU  16  17.584   3.863  -0.024
  124    HB3  GLU  16           HB3      GLU  16  17.022   3.786  -1.699
  125    HG2  GLU  16           HG2      GLU  16  19.317   3.562  -2.519
  126    HG3  GLU  16           HG3      GLU  16  19.957   3.797  -0.887
  127    H    ALA  17           H        ALA  17  16.653   5.833  -3.396
  128    HA   ALA  17           HA       ALA  17  18.837   5.967  -5.212
  129    HB1  ALA  17           HB1      ALA  17  15.974   6.941  -5.611
  130    HB2  ALA  17           HB2      ALA  17  17.155   6.592  -6.884
  131    HB3  ALA  17           HB3      ALA  17  16.549   5.272  -5.863
  132    H    ILE  18           H        ILE  18  16.953   8.585  -3.598
  133    HA   ILE  18           HA       ILE  18  18.321  10.777  -4.853
  134    HB   ILE  18           HB       ILE  18  16.748  10.469  -2.286
  135   HG12  ILE  18          HG12      ILE  18  16.287  12.184  -4.768
  136   HG13  ILE  18          HG13      ILE  18  15.694  10.534  -4.619
  137   HG21  ILE  18          HG21      ILE  18  18.123  13.027  -3.238
  138   HG22  ILE  18          HG22      ILE  18  16.899  12.934  -1.957
  139   HG23  ILE  18          HG23      ILE  18  18.453  12.157  -1.729
  140   HD11  ILE  18          HD11      ILE  18  14.866  12.881  -2.867
  141   HD12  ILE  18          HD12      ILE  18  13.903  12.028  -4.078
  142   HD13  ILE  18          HD13      ILE  18  14.397  11.178  -2.602
  143    H    ASP  19           H        ASP  19  19.117   9.022  -1.736
  144    HA   ASP  19           HA       ASP  19  21.533  10.534  -1.331
  145    HB2  ASP  19           HB2      ASP  19  20.738   7.727  -0.471
  146    HB3  ASP  19           HB3      ASP  19  22.262   8.482  -0.007
  147    H    ASN  20           H        ASN  20  21.008   7.554  -3.290
  148    HA   ASN  20           HA       ASN  20  23.762   7.165  -3.955
  149    HB2  ASN  20           HB2      ASN  20  21.975   5.470  -4.257
  150    HB3  ASN  20           HB3      ASN  20  21.220   6.464  -5.500
  151   HD21  ASN  20          HD22      ASN  20  24.157   4.550  -4.734
  152   HD22  ASN  20          HD21      ASN  20  24.610   4.337  -6.414
  153    H    ILE  21           H        ILE  21  21.217   9.110  -5.601
  154    HA   ILE  21           HA       ILE  21  22.897  10.106  -7.727
  155    HB   ILE  21           HB       ILE  21  20.291  11.024  -6.463
  156   HG12  ILE  21          HG12      ILE  21  20.908  10.078  -9.298
  157   HG13  ILE  21          HG13      ILE  21  20.490   8.962  -8.005
  158   HG21  ILE  21          HG21      ILE  21  21.287  13.114  -7.133
  159   HG22  ILE  21          HG22      ILE  21  21.889  12.409  -8.649
  160   HG23  ILE  21          HG23      ILE  21  20.150  12.686  -8.392
  161   HD11  ILE  21          HD11      ILE  21  18.499   9.431  -9.287
  162   HD12  ILE  21          HD12      ILE  21  18.311  10.144  -7.676
  163   HD13  ILE  21          HD13      ILE  21  18.692  11.175  -9.074
  164    H    LEU  22           H        LEU  22  22.107  11.385  -4.474
  165    HA   LEU  22           HA       LEU  22  23.499  13.819  -4.656
  166    HB2  LEU  22           HB2      LEU  22  21.811  13.030  -2.936
  167    HB3  LEU  22           HB3      LEU  22  23.058  12.000  -2.247
  168    HG   LEU  22           HG       LEU  22  24.393  14.075  -1.759
  169   HD11  LEU  22          HD11      LEU  22  23.125  16.214  -1.713
  170   HD12  LEU  22          HD12      LEU  22  23.336  15.627  -3.369
  171   HD13  LEU  22          HD13      LEU  22  21.770  15.429  -2.565
  172   HD21  LEU  22          HD21      LEU  22  22.997  14.702   0.186
  173   HD22  LEU  22          HD22      LEU  22  21.612  13.850  -0.544
  174   HD23  LEU  22          HD23      LEU  22  23.056  12.950  -0.043
  175    H    ARG  23           H        ARG  23  24.692  10.618  -3.516
  176    HA   ARG  23           HA       ARG  23  27.419  11.437  -3.090
  177    HB2  ARG  23           HB2      ARG  23  26.312   9.441  -2.098
  178    HB3  ARG  23           HB3      ARG  23  26.268   8.671  -3.687
  179    HG2  ARG  23           HG2      ARG  23  28.742   8.691  -3.780
  180    HG3  ARG  23           HG3      ARG  23  28.810   9.546  -2.224
  181    HD2  ARG  23           HD2      ARG  23  27.702   7.632  -1.122
  182    HD3  ARG  23           HD3      ARG  23  27.619   6.780  -2.677
  183    HE   ARG  23           HE       ARG  23  30.326   7.496  -2.223
  184   HH11  ARG  23          HH11      ARG  23  28.005   5.289  -0.785
  185   HH12  ARG  23          HH12      ARG  23  29.246   4.195  -0.246
  186   HH21  ARG  23          HH21      ARG  23  31.855   6.051  -1.506
  187   HH22  ARG  23          HH22      ARG  23  31.366   4.624  -0.642
  188    H    TYR  24           H        TYR  24  25.842   9.890  -5.933
  189    HA   TYR  24           HA       TYR  24  28.175   9.620  -7.520
  190    HB2  TYR  24           HB2      TYR  24  26.111   8.434  -7.963
  191    HB3  TYR  24           HB3      TYR  24  25.232   9.938  -8.194
  192    HD1  TYR  24           HD2      TYR  24  28.315   8.264  -9.621
  193    HD2  TYR  24           HD1      TYR  24  24.662  10.440 -10.386
  194    HE1  TYR  24           HE2      TYR  24  28.738   8.132 -12.074
  195    HE2  TYR  24           HE1      TYR  24  25.077  10.289 -12.828
  196    HH   TYR  24           HH       TYR  24  26.473   9.500 -14.498
  197    H    THR  25           H        THR  25  25.890  12.392  -7.334
  198    HA   THR  25           HA       THR  25  27.285  13.807  -9.490
  199    HB   THR  25           HB       THR  25  25.671  15.606  -9.089
  200    HG1  THR  25           HG1      THR  25  24.426  13.909  -7.205
  201   HG21  THR  25          HG21      THR  25  24.389  12.850  -9.290
  202   HG22  THR  25          HG22      THR  25  23.612  14.393  -9.698
  203   HG23  THR  25          HG23      THR  25  25.017  13.833 -10.624
  204    H    ASN  26           H        ASN  26  27.859  13.670  -6.096
  205    HA   ASN  26           HA       ASN  26  29.037  14.922  -4.647
  206    HB2  ASN  26           HB2      ASN  26  30.785  14.190  -6.287
  207    HB3  ASN  26           HB3      ASN  26  30.655  15.763  -7.070
  208   HD21  ASN  26          HD22      ASN  26  33.056  15.680  -6.469
  209   HD22  ASN  26          HD21      ASN  26  33.469  16.302  -4.877
  210    H    SER  27           H        SER  27  26.781  16.021  -4.913
  211    HA   SER  27           HA       SER  27  27.221  18.981  -4.785
  212    HB2  SER  27           HB2      SER  27  25.280  17.485  -6.534
  213    HB3  SER  27           HB3      SER  27  24.784  19.039  -5.851
  214    HG   SER  27           HG       SER  27  26.407  20.071  -6.900
  215    H    THR  28           H        THR  28  25.289  20.114  -3.712
  216    HA   THR  28           HA       THR  28  24.546  18.633  -1.272
  217    HB   THR  28           HB       THR  28  23.724  20.713  -0.420
  218    HG1  THR  28           HG1      THR  28  23.890  22.591  -1.817
  219   HG21  THR  28          HG21      THR  28  26.230  20.420  -0.457
  220   HG22  THR  28          HG22      THR  28  26.270  21.382  -1.949
  221   HG23  THR  28          HG23      THR  28  25.689  22.108  -0.440
  222    H    GLU  29           H        GLU  29  22.302  18.620  -0.441
  223    HA   GLU  29           HA       GLU  29  20.376  17.774  -2.416
  224    HB2  GLU  29           HB2      GLU  29  19.975  18.596   0.491
  225    HB3  GLU  29           HB3      GLU  29  18.771  17.797  -0.542
  226    HG2  GLU  29           HG2      GLU  29  20.306  15.886  -0.857
  227    HG3  GLU  29           HG3      GLU  29  21.447  16.623   0.278
  228    H    GLN  30           H        GLN  30  21.025  20.943  -0.916
  229    HA   GLN  30           HA       GLN  30  18.671  22.267  -1.933
  230    HB2  GLN  30           HB2      GLN  30  21.426  23.326  -1.165
  231    HB3  GLN  30           HB3      GLN  30  20.044  24.341  -1.596
  232    HG2  GLN  30           HG2      GLN  30  18.732  23.411   0.282
  233    HG3  GLN  30           HG3      GLN  30  20.094  22.376   0.743
  234   HE21  GLN  30          HE22      GLN  30  19.014  25.810   0.525
  235   HE22  GLN  30          HE21      GLN  30  20.229  26.395   1.651
  236    H    GLN  31           H        GLN  31  22.014  21.889  -3.311
  237    HA   GLN  31           HA       GLN  31  21.406  23.279  -5.755
  238    HB2  GLN  31           HB2      GLN  31  23.482  21.187  -5.014
  239    HB3  GLN  31           HB3      GLN  31  23.396  21.883  -6.623
  240    HG2  GLN  31           HG2      GLN  31  23.724  23.556  -4.089
  241    HG3  GLN  31           HG3      GLN  31  25.067  22.963  -5.056
  242   HE21  GLN  31          HE22      GLN  31  25.084  25.616  -4.746
  243   HE22  GLN  31          HE21      GLN  31  24.505  26.426  -6.195
  244    H    PHE  32           H        PHE  32  21.000  19.822  -4.822
  245    HA   PHE  32           HA       PHE  32  20.134  18.996  -7.441
  246    HB2  PHE  32           HB2      PHE  32  21.012  17.501  -5.656
  247    HB3  PHE  32           HB3      PHE  32  19.569  17.811  -4.704
  248    HD1  PHE  32           HD2      PHE  32  18.869  17.339  -8.311
  249    HD2  PHE  32           HD1      PHE  32  19.607  15.301  -4.567
  250    HE1  PHE  32           HE2      PHE  32  17.767  15.321  -9.189
  251    HE2  PHE  32           HE1      PHE  32  18.527  13.264  -5.493
  252    HZ   PHE  32           HZ       PHE  32  17.569  13.280  -7.776
  253    H    LEU  33           H        LEU  33  18.263  20.176  -4.582
  254    HA   LEU  33           HA       LEU  33  15.703  19.951  -5.815
  255    HB2  LEU  33           HB2      LEU  33  16.094  20.235  -3.424
  256    HB3  LEU  33           HB3      LEU  33  16.727  21.852  -3.669
  257    HG   LEU  33           HG       LEU  33  14.423  21.678  -2.710
  258   HD11  LEU  33          HD11      LEU  33  13.467  23.524  -3.861
  259   HD12  LEU  33          HD12      LEU  33  15.221  23.756  -3.825
  260   HD13  LEU  33          HD13      LEU  33  14.416  23.227  -5.317
  261   HD21  LEU  33          HD21      LEU  33  12.508  21.242  -4.126
  262   HD22  LEU  33          HD22      LEU  33  13.550  20.866  -5.507
  263   HD23  LEU  33          HD23      LEU  33  13.557  19.812  -4.067
  264    H    GLU  34           H        GLU  34  17.971  22.737  -5.752
  265    HA   GLU  34           HA       GLU  34  16.422  24.430  -7.438
  266    HB2  GLU  34           HB2      GLU  34  19.414  24.231  -6.937
  267    HB3  GLU  34           HB3      GLU  34  18.695  25.459  -7.992
  268    HG2  GLU  34           HG2      GLU  34  17.310  26.300  -6.149
  269    HG3  GLU  34           HG3      GLU  34  17.970  25.086  -5.058
  270    H    ALA  35           H        ALA  35  18.842  21.955  -8.384
  271    HA   ALA  35           HA       ALA  35  18.632  22.427 -11.194
  272    HB1  ALA  35           HB1      ALA  35  20.491  21.191 -10.129
  273    HB2  ALA  35           HB2      ALA  35  19.377  19.877  -9.681
  274    HB3  ALA  35           HB3      ALA  35  19.712  20.214 -11.390
  275    H    MET  36           H        MET  36  16.686  20.271  -9.038
  276    HA   MET  36           HA       MET  36  15.088  19.189 -11.223
  277    HB2  MET  36           HB2      MET  36  14.746  19.314  -8.199
  278    HB3  MET  36           HB3      MET  36  13.537  18.593  -9.268
  279    HG2  MET  36           HG2      MET  36  16.450  17.732  -9.214
  280    HG3  MET  36           HG3      MET  36  15.191  16.964  -8.259
  281    HE1  MET  36           HE1      MET  36  13.471  15.324  -9.039
  282    HE2  MET  36           HE2      MET  36  12.650  16.545 -10.037
  283    HE3  MET  36           HE3      MET  36  13.070  14.961 -10.736
  284    H    GLU  37           H        GLU  37  14.554  22.025  -9.036
  285    HA   GLU  37           HA       GLU  37  11.990  22.641 -10.199
  286    HB2  GLU  37           HB2      GLU  37  14.023  24.413  -8.788
  287    HB3  GLU  37           HB3      GLU  37  12.399  24.923  -9.236
  288    HG2  GLU  37           HG2      GLU  37  13.101  22.712  -7.277
  289    HG3  GLU  37           HG3      GLU  37  12.503  24.312  -6.882
  290    H    SER  38           H        SER  38  15.302  23.871 -11.024
  291    HA   SER  38           HA       SER  38  14.368  25.518 -13.185
  292    HB2  SER  38           HB2      SER  38  17.117  24.394 -12.529
  293    HB3  SER  38           HB3      SER  38  16.796  25.542 -13.844
  294    HG   SER  38           HG       SER  38  17.410  26.596 -11.867
  295    H    THR  39           H        THR  39  14.945  22.057 -13.117
  296    HA   THR  39           HA       THR  39  14.840  21.927 -16.107
  297    HB   THR  39           HB       THR  39  15.174  19.492 -15.830
  298    HG1  THR  39           HG1      THR  39  15.841  20.041 -13.164
  299   HG21  THR  39          HG21      THR  39  17.527  19.623 -15.033
  300   HG22  THR  39          HG22      THR  39  17.117  20.881 -16.224
  301   HG23  THR  39          HG23      THR  39  17.254  21.293 -14.508
  302    H    GLY  40           H        GLY  40  12.591  22.178 -13.635
  303    HA2  GLY  40           HA2      GLY  40  10.297  22.069 -13.779
  304    HA3  GLY  40           HA3      GLY  40  10.426  21.488 -15.441
  305    H    GLY  41           H        GLY  41  12.026  19.834 -12.764
  306    HA2  GLY  41           HA2      GLY  41  11.559  17.833 -11.674
  307    HA3  GLY  41           HA3      GLY  41   9.959  17.771 -12.420
  308    H    ARG  42           H        ARG  42  13.399  17.703 -13.612
  309    HA   ARG  42           HA       ARG  42  12.836  14.990 -14.685
  310    HB2  ARG  42           HB2      ARG  42  13.727  17.404 -16.267
  311    HB3  ARG  42           HB3      ARG  42  14.442  15.849 -16.696
  312    HG2  ARG  42           HG2      ARG  42  11.446  16.368 -16.582
  313    HG3  ARG  42           HG3      ARG  42  12.424  16.388 -18.044
  314    HD2  ARG  42           HD2      ARG  42  13.043  14.071 -17.820
  315    HD3  ARG  42           HD3      ARG  42  12.290  13.906 -16.240
  316    HE   ARG  42           HE       ARG  42  11.052  13.407 -18.670
  317   HH11  ARG  42          HH11      ARG  42  10.053  15.101 -15.688
  318   HH12  ARG  42          HH12      ARG  42   8.405  14.624 -15.975
  319   HH21  ARG  42          HH22      ARG  42   9.147  12.838 -18.837
  320   HH22  ARG  42          HH21      ARG  42   7.852  13.359 -17.760
  321    H    VAL  43           H        VAL  43  13.940  13.775 -13.363
  322    HA   VAL  43           HA       VAL  43  16.325  14.531 -12.059
  323    HB   VAL  43           HB       VAL  43  14.781  12.774 -11.314
  324   HG11  VAL  43          HG11      VAL  43  14.500  11.481 -13.433
  325   HG12  VAL  43          HG12      VAL  43  16.177  10.895 -13.264
  326   HG13  VAL  43          HG13      VAL  43  14.952  10.479 -12.054
  327   HG21  VAL  43          HG21      VAL  43  17.020  13.022 -10.308
  328   HG22  VAL  43          HG22      VAL  43  16.466  11.338 -10.298
  329   HG23  VAL  43          HG23      VAL  43  17.679  11.854 -11.478
  330    H    ARG  44           H        ARG  44  16.089  12.806 -15.208
  331    HA   ARG  44           HA       ARG  44  18.896  12.276 -15.438
  332    HB2  ARG  44           HB2      ARG  44  18.442  11.831 -17.765
  333    HB3  ARG  44           HB3      ARG  44  17.186  11.149 -16.745
  334    HG2  ARG  44           HG2      ARG  44  15.817  13.302 -17.313
  335    HG3  ARG  44           HG3      ARG  44  16.996  13.546 -18.603
  336    HD2  ARG  44           HD2      ARG  44  15.262  11.059 -18.246
  337    HD3  ARG  44           HD3      ARG  44  14.884  12.436 -19.289
  338    HE   ARG  44           HE       ARG  44  17.496  11.305 -19.885
  339   HH11  ARG  44          HH12      ARG  44  14.059  10.845 -20.523
  340   HH12  ARG  44          HH11      ARG  44  14.382  10.076 -22.064
  341   HH21  ARG  44          HH21      ARG  44  17.808  10.284 -21.826
  342   HH22  ARG  44          HH22      ARG  44  16.452   9.722 -22.751
  343    H    ILE  45           H        ILE  45  17.028  15.152 -16.373
  344    HA   ILE  45           HA       ILE  45  19.343  16.500 -17.560
  345    HB   ILE  45           HB       ILE  45  16.703  17.765 -16.763
  346   HG12  ILE  45          HG12      ILE  45  17.434  16.483 -19.440
  347   HG13  ILE  45          HG13      ILE  45  16.289  15.818 -18.281
  348   HG21  ILE  45          HG21      ILE  45  18.767  18.538 -18.896
  349   HG22  ILE  45          HG22      ILE  45  17.330  19.469 -18.435
  350   HG23  ILE  45          HG23      ILE  45  18.664  19.313 -17.307
  351   HD11  ILE  45          HD11      ILE  45  15.007  16.861 -19.968
  352   HD12  ILE  45          HD12      ILE  45  14.877  17.881 -18.520
  353   HD13  ILE  45          HD13      ILE  45  15.934  18.366 -19.876
  354    H    ALA  46           H        ALA  46  17.675  16.509 -14.393
  355    HA   ALA  46           HA       ALA  46  19.192  18.651 -13.271
  356    HB1  ALA  46           HB1      ALA  46  18.321  17.826 -11.126
  357    HB2  ALA  46           HB2      ALA  46  17.046  17.819 -12.363
  358    HB3  ALA  46           HB3      ALA  46  17.832  16.297 -11.886
  359    H    ILE  47           H        ILE  47  19.792  15.044 -13.118
  360    HA   ILE  47           HA       ILE  47  22.291  15.439 -11.729
  361    HB   ILE  47           HB       ILE  47  22.833  13.170 -12.122
  362   HG12  ILE  47          HG12      ILE  47  20.480  13.019 -14.033
  363   HG13  ILE  47          HG13      ILE  47  22.175  12.858 -14.457
  364   HG21  ILE  47          HG21      ILE  47  21.034  12.176 -10.888
  365   HG22  ILE  47          HG22      ILE  47  21.156  13.877 -10.393
  366   HG23  ILE  47          HG23      ILE  47  19.863  13.357 -11.486
  367   HD11  ILE  47          HD11      ILE  47  22.304  10.804 -13.016
  368   HD12  ILE  47          HD12      ILE  47  20.539  10.913 -12.790
  369   HD13  ILE  47          HD13      ILE  47  21.211  10.665 -14.406
  370    H    ALA  48           H        ALA  48  21.562  15.253 -15.276
  371    HA   ALA  48           HA       ALA  48  24.238  15.570 -16.146
  372    HB1  ALA  48           HB1      ALA  48  23.181  16.541 -18.163
  373    HB2  ALA  48           HB2      ALA  48  22.313  15.094 -17.610
  374    HB3  ALA  48           HB3      ALA  48  21.642  16.705 -17.286
  375    H    LYS  49           H        LYS  49  21.909  18.141 -15.096
  376    HA   LYS  49           HA       LYS  49  23.676  20.334 -15.541
  377    HB2  LYS  49           HB2      LYS  49  21.087  20.271 -15.151
  378    HB3  LYS  49           HB3      LYS  49  21.468  20.223 -13.439
  379    HG2  LYS  49           HG2      LYS  49  21.043  22.497 -13.927
  380    HG3  LYS  49           HG3      LYS  49  22.792  22.383 -13.787
  381    HD2  LYS  49           HD2      LYS  49  22.312  23.787 -15.653
  382    HD3  LYS  49           HD3      LYS  49  22.911  22.273 -16.339
  383    HE2  LYS  49           HE2      LYS  49  20.589  21.557 -16.826
  384    HE3  LYS  49           HE3      LYS  49  19.966  23.028 -16.057
  385    HZ1  LYS  49           HZ1      LYS  49  21.681  22.985 -18.499
  386    HZ2  LYS  49           HZ2      LYS  49  20.080  23.286 -18.480
  387    HZ3  LYS  49           HZ3      LYS  49  21.107  24.342 -17.785
  388    H    LEU  50           H        LEU  50  23.163  18.327 -12.614
  389    HA   LEU  50           HA       LEU  50  25.054  19.770 -10.963
  390    HB2  LEU  50           HB2      LEU  50  24.048  16.895 -10.821
  391    HB3  LEU  50           HB3      LEU  50  24.994  17.692  -9.572
  392    HG   LEU  50           HG       LEU  50  22.210  18.572 -10.415
  393   HD11  LEU  50          HD11      LEU  50  23.196  17.033  -7.980
  394   HD12  LEU  50          HD12      LEU  50  21.535  17.583  -8.269
  395   HD13  LEU  50          HD13      LEU  50  22.237  16.363  -9.321
  396   HD21  LEU  50          HD21      LEU  50  23.984  19.486  -8.131
  397   HD22  LEU  50          HD22      LEU  50  23.462  20.461  -9.521
  398   HD23  LEU  50          HD23      LEU  50  22.273  19.904  -8.347
  399    H    LEU  51           H        LEU  51  25.516  17.060 -13.271
  400    HA   LEU  51           HA       LEU  51  28.342  16.761 -12.557
  401    HB2  LEU  51           HB2      LEU  51  26.631  15.739 -14.852
  402    HB3  LEU  51           HB3      LEU  51  28.336  15.348 -14.679
  403    HG   LEU  51           HG       LEU  51  26.273  14.703 -12.526
  404   HD11  LEU  51          HD11      LEU  51  26.358  12.402 -13.388
  405   HD12  LEU  51          HD12      LEU  51  25.724  13.520 -14.610
  406   HD13  LEU  51          HD13      LEU  51  27.401  12.932 -14.727
  407   HD21  LEU  51          HD21      LEU  51  28.566  14.751 -11.659
  408   HD22  LEU  51          HD22      LEU  51  28.002  13.078 -11.779
  409   HD23  LEU  51          HD23      LEU  51  29.119  13.720 -12.996
  410    H    SER  52           H        SER  52  26.588  18.734 -14.886
  411    HA   SER  52           HA       SER  52  28.706  19.401 -16.624
  412    HB2  SER  52           HB2      SER  52  26.232  21.003 -15.886
  413    HB3  SER  52           HB3      SER  52  27.320  21.389 -17.229
  414    HG   SER  52           HG       SER  52  25.829  18.980 -16.901
  415    H    LYS  53           H        LYS  53  28.621  20.342 -13.346
  416    HA   LYS  53           HA       LYS  53  30.126  22.815 -13.605
  417    HB2  LYS  53           HB2      LYS  53  30.574  22.636 -11.267
  418    HB3  LYS  53           HB3      LYS  53  28.892  22.205 -11.559
  419    HG2  LYS  53           HG2      LYS  53  29.495  19.787 -11.360
  420    HG3  LYS  53           HG3      LYS  53  31.177  20.233 -11.056
  421    HD2  LYS  53           HD2      LYS  53  30.580  21.421  -9.028
  422    HD3  LYS  53           HD3      LYS  53  28.856  21.169  -9.297
  423    HE2  LYS  53           HE2      LYS  53  30.805  18.835  -9.051
  424    HE3  LYS  53           HE3      LYS  53  30.144  19.616  -7.615
  425    HZ1  LYS  53           HZ1      LYS  53  27.943  18.969  -8.215
  426    HZ2  LYS  53           HZ2      LYS  53  28.351  18.530  -9.740
  427    HZ3  LYS  53           HZ3      LYS  53  28.823  17.634  -8.445
  428    H    GLN  54           H        GLN  54  31.023  19.508 -14.082
  429    HA   GLN  54           HA       GLN  54  33.927  19.951 -13.804
  430    HB2  GLN  54           HB2      GLN  54  32.316  17.625 -14.929
  431    HB3  GLN  54           HB3      GLN  54  34.072  17.661 -14.760
  432    HG2  GLN  54           HG2      GLN  54  33.840  17.964 -12.302
  433    HG3  GLN  54           HG3      GLN  54  32.084  17.859 -12.451
  434   HE21  GLN  54          HE22      GLN  54  33.191  16.076 -10.734
  435   HE22  GLN  54          HE21      GLN  54  33.223  14.476 -11.462
  436    H    THR  55           H        THR  55  35.409  19.930 -15.557
  437    HA   THR  55           HA       THR  55  34.332  20.634 -18.259
  438    HB   THR  55           HB       THR  55  36.159  22.339 -18.418
  439    HG1  THR  55           HG1      THR  55  37.486  21.741 -16.693
  440   HG21  THR  55          HG21      THR  55  33.820  22.991 -17.942
  441   HG22  THR  55          HG22      THR  55  34.141  22.858 -16.199
  442   HG23  THR  55          HG23      THR  55  34.993  24.073 -17.178
  443    H    SER  56           H        SER  56  35.688  20.321 -20.039
  444    HA   SER  56           HA       SER  56  38.180  18.765 -19.754
  445    HB2  SER  56           HB2      SER  56  37.368  16.980 -21.235
  446    HB3  SER  56           HB3      SER  56  36.419  17.053 -19.745
  447    HG   SER  56           HG       SER  56  35.078  16.844 -21.611
  448    H    GLY  57           H        GLY  57  39.219  18.388 -21.925
  449    HA2  GLY  57           HA2      GLY  57  40.018  19.145 -23.962
  450    HA3  GLY  57           HA3      GLY  57  38.497  19.991 -24.215
  451    H    GLY  58           H        GLY  58  39.395  21.875 -25.019
  452    HA2  GLY  58           HA2      GLY  58  40.350  23.863 -23.137
  453    HA3  GLY  58           HA3      GLY  58  41.625  23.328 -24.234
  454    H    SER  59           H        SER  59  41.258  25.848 -24.466
  455    HA   SER  59           HA       SER  59  39.070  26.692 -26.192
  456    HB2  SER  59           HB2      SER  59  40.165  28.903 -26.018
  457    HB3  SER  59           HB3      SER  59  39.872  28.147 -24.446
  458    HG   SER  59           HG       SER  59  42.006  29.047 -24.617
  459    H    GLY  60           H        GLY  60  42.009  25.192 -26.951
  460    HA2  GLY  60           HA2      GLY  60  41.689  25.569 -29.795
  461    HA3  GLY  60           HA3      GLY  60  43.036  26.528 -29.181
  462    H    GLY  61           H        GLY  61  44.037  25.011 -30.851
  463    HA2  GLY  61           HA2      GLY  61  45.768  23.505 -31.137
  464    HA3  GLY  61           HA3      GLY  61  45.585  22.968 -29.469
  465    H    SER  62           H        SER  62  42.579  22.676 -30.956
  466    HA   SER  62           HA       SER  62  43.007  20.132 -32.353
  467    HB2  SER  62           HB2      SER  62  42.838  19.498 -29.926
  468    HB3  SER  62           HB3      SER  62  41.222  20.231 -29.884
  469    HG   SER  62           HG       SER  62  41.193  17.937 -30.300
  470    H    LYS  63           H        LYS  63  41.155  19.450 -33.532
  471    HA   LYS  63           HA       LYS  63  38.774  21.146 -33.706
  472    HB2  LYS  63           HB2      LYS  63  39.049  21.695 -36.113
  473    HB3  LYS  63           HB3      LYS  63  40.192  22.478 -35.048
  474    HG2  LYS  63           HG2      LYS  63  41.479  21.957 -36.864
  475    HG3  LYS  63           HG3      LYS  63  41.908  20.684 -35.731
  476    HD2  LYS  63           HD2      LYS  63  40.415  19.104 -36.985
  477    HD3  LYS  63           HD3      LYS  63  39.976  20.427 -38.086
  478    HE2  LYS  63           HE2      LYS  63  42.381  20.693 -38.700
  479    HE3  LYS  63           HE3      LYS  63  42.806  19.377 -37.605
  480    HZ1  LYS  63           HZ1      LYS  63  42.629  18.579 -39.884
  481    HZ2  LYS  63           HZ2      LYS  63  41.459  17.872 -38.999
  482    HZ3  LYS  63           HZ3      LYS  63  41.092  19.097 -40.030
  483    H    LEU  64           H        LEU  64  37.141  20.373 -35.087
  484    HA   LEU  64           HA       LEU  64  35.648  18.770 -35.634
  485    HB2  LEU  64           HB2      LEU  64  37.999  17.679 -37.200
  486    HB3  LEU  64           HB3      LEU  64  36.306  17.315 -37.506
  487    HG   LEU  64           HG       LEU  64  37.572  20.072 -37.777
  488   HD11  LEU  64          HD11      LEU  64  38.287  18.448 -39.505
  489   HD12  LEU  64          HD12      LEU  64  36.585  18.107 -39.884
  490   HD13  LEU  64          HD13      LEU  64  37.259  19.724 -40.181
  491   HD21  LEU  64          HD21      LEU  64  35.438  20.676 -38.908
  492   HD22  LEU  64          HD22      LEU  64  34.756  19.104 -38.436
  493   HD23  LEU  64          HD23      LEU  64  35.198  20.307 -37.199
  494    H    GLY  65           H        GLY  65  36.682  18.241 -33.102
  495    HA2  GLY  65           HA2      GLY  65  37.233  15.404 -32.751
  496    HA3  GLY  65           HA3      GLY  65  36.912  16.582 -31.487
  497    H    GLY  66           H        GLY  66  35.955  13.994 -31.375
  498    HA2  GLY  66           HA2      GLY  66  34.056  12.937 -30.600
  499    HA3  GLY  66           HA3      GLY  66  33.139  14.416 -30.856
  500    H    SER  67           H        SER  67  31.650  12.441 -31.318
  501    HA   SER  67           HA       SER  67  31.799  11.148 -33.892
  502    HB2  SER  67           HB2      SER  67  29.416  11.496 -32.041
  503    HB3  SER  67           HB3      SER  67  29.539  10.344 -33.380
  504    HG   SER  67           HG       SER  67  31.246   9.301 -32.258
  505    H    GLY  68           H        GLY  68  30.463  11.392 -35.726
  506    HA2  GLY  68           HA2      GLY  68  29.954  14.119 -36.540
  507    HA3  GLY  68           HA3      GLY  68  29.656  12.665 -37.481
  508    H    GLY  69           H        GLY  69  28.015  14.941 -37.448
  509    HA2  GLY  69           HA2      GLY  69  25.764  15.368 -37.666
  510    HA3  GLY  69           HA3      GLY  69  25.383  13.778 -37.020
  511    H    SER  70           H        SER  70  23.898  16.091 -36.451
  512    HA   SER  70           HA       SER  70  24.636  17.349 -33.985
  513    HB2  SER  70           HB2      SER  70  21.889  17.132 -35.275
  514    HB3  SER  70           HB3      SER  70  22.382  18.300 -34.031
  515    HG   SER  70           HG       SER  70  22.505  19.194 -36.158
  516    H    ARG  71           H        ARG  71  22.657  14.481 -34.641
  517    HA   ARG  71           HA       ARG  71  21.711  14.263 -31.845
  518    HB2  ARG  71           HB2      ARG  71  21.317  12.482 -34.283
  519    HB3  ARG  71           HB3      ARG  71  20.570  12.215 -32.702
  520    HG2  ARG  71           HG2      ARG  71  19.444  14.421 -32.837
  521    HG3  ARG  71           HG3      ARG  71  20.146  14.684 -34.446
  522    HD2  ARG  71           HD2      ARG  71  18.998  12.659 -35.284
  523    HD3  ARG  71           HD3      ARG  71  18.286  12.397 -33.677
  524    HE   ARG  71           HE       ARG  71  17.628  15.032 -34.500
  525   HH11  ARG  71          HH11      ARG  71  16.788  11.767 -35.473
  526   HH12  ARG  71          HH12      ARG  71  15.235  12.252 -36.094
  527   HH21  ARG  71          HH21      ARG  71  15.634  15.582 -35.310
  528   HH22  ARG  71          HH22      ARG  71  14.605  14.363 -36.002
  529    H    LYS  72           H        LYS  72  24.388  13.070 -33.603
  530    HA   LYS  72           HA       LYS  72  26.046  11.569 -33.311
  531    HB2  LYS  72           HB2      LYS  72  25.355  11.748 -30.348
  532    HB3  LYS  72           HB3      LYS  72  26.708  10.869 -31.004
  533    HG2  LYS  72           HG2      LYS  72  27.641  12.859 -30.299
  534    HG3  LYS  72           HG3      LYS  72  27.579  12.974 -32.048
  535    HD2  LYS  72           HD2      LYS  72  27.077  15.105 -31.002
  536    HD3  LYS  72           HD3      LYS  72  25.680  14.538 -31.903
  537    HE2  LYS  72           HE2      LYS  72  24.641  13.731 -29.772
  538    HE3  LYS  72           HE3      LYS  72  26.065  14.277 -28.880
  539    HZ1  LYS  72           HZ1      LYS  72  24.259  15.924 -28.805
  540    HZ2  LYS  72           HZ2      LYS  72  25.556  16.563 -29.565
  541    HZ3  LYS  72           HZ3      LYS  72  24.253  16.071 -30.440
  542    H    ASP  73           H        ASP  73  26.653   9.323 -32.672
  543    HA   ASP  73           HA       ASP  73  24.610   7.518 -33.635
  544    HB2  ASP  73           HB2      ASP  73  26.997   7.284 -34.183
  545    HB3  ASP  73           HB3      ASP  73  27.373   6.984 -32.480
  546    H    LEU  74           H        LEU  74  23.528   5.853 -32.595
  547    HA   LEU  74           HA       LEU  74  22.174   5.045 -31.019
  548    HB2  LEU  74           HB2      LEU  74  24.450   3.838 -30.883
  549    HB3  LEU  74           HB3      LEU  74  24.693   4.722 -29.380
  550    HG   LEU  74           HG       LEU  74  22.393   3.742 -28.663
  551   HD11  LEU  74          HD11      LEU  74  21.627   2.911 -30.849
  552   HD12  LEU  74          HD12      LEU  74  23.036   1.833 -30.950
  553   HD13  LEU  74          HD13      LEU  74  21.796   1.582 -29.706
  554   HD21  LEU  74          HD21      LEU  74  24.763   1.871 -29.091
  555   HD22  LEU  74          HD22      LEU  74  24.540   2.985 -27.721
  556   HD23  LEU  74          HD23      LEU  74  23.439   1.617 -27.928
  557    H    SER  75           H        SER  75  21.626   7.568 -30.904
  558    HA   SER  75           HA       SER  75  21.941   8.960 -28.446
  559    HB2  SER  75           HB2      SER  75  19.982  10.267 -29.214
  560    HB3  SER  75           HB3      SER  75  21.208  10.060 -30.477
  561    HG   SER  75           HG       SER  75  19.052   9.658 -31.252
  562    H    VAL  76           H        VAL  76  19.650   6.473 -29.389
  563    HA   VAL  76           HA       VAL  76  18.912   6.032 -26.557
  564    HB   VAL  76           HB       VAL  76  16.592   5.453 -27.168
  565   HG11  VAL  76          HG11      VAL  76  15.700   7.698 -27.239
  566   HG12  VAL  76          HG12      VAL  76  17.122   7.647 -26.183
  567   HG13  VAL  76          HG13      VAL  76  17.248   8.344 -27.818
  568   HG21  VAL  76          HG21      VAL  76  15.571   6.252 -29.240
  569   HG22  VAL  76          HG22      VAL  76  17.148   6.802 -29.842
  570   HG23  VAL  76          HG23      VAL  76  16.835   5.070 -29.591
  571    H    LYS  77           H        LYS  77  18.084   3.853 -26.177
  572    HA   LYS  77           HA       LYS  77  18.651   1.780 -28.181
  573    HB2  LYS  77           HB2      LYS  77  20.280   0.562 -26.831
  574    HB3  LYS  77           HB3      LYS  77  20.877   2.167 -27.242
  575    HG2  LYS  77           HG2      LYS  77  20.287   2.981 -24.964
  576    HG3  LYS  77           HG3      LYS  77  19.709   1.357 -24.542
  577    HD2  LYS  77           HD2      LYS  77  21.976   0.438 -24.977
  578    HD3  LYS  77           HD3      LYS  77  22.557   2.069 -25.379
  579    HE2  LYS  77           HE2      LYS  77  21.952   2.853 -23.098
  580    HE3  LYS  77           HE3      LYS  77  21.351   1.237 -22.694
  581    HZ1  LYS  77           HZ1      LYS  77  23.621   1.555 -21.883
  582    HZ2  LYS  77           HZ2      LYS  77  23.622   0.381 -23.015
  583    HZ3  LYS  77           HZ3      LYS  77  24.181   1.875 -23.383
  584    H    GLY  78           H        GLY  78  17.959  -0.331 -27.586
  585    HA2  GLY  78           HA2      GLY  78  16.551  -1.899 -26.711
  586    HA3  GLY  78           HA3      GLY  78  16.921  -1.172 -25.150
  587    H    MET  79           H        MET  79  15.192   0.742 -27.514
  588    HA   MET  79           HA       MET  79  13.383   2.025 -27.212
  589    HB2  MET  79           HB2      MET  79  11.259   0.947 -27.440
  590    HB3  MET  79           HB3      MET  79  12.477   0.213 -28.468
  591    HG2  MET  79           HG2      MET  79  12.643  -1.724 -27.002
  592    HG3  MET  79           HG3      MET  79  11.587  -0.961 -25.812
  593    HE1  MET  79           HE1      MET  79  11.216  -1.232 -29.823
  594    HE2  MET  79           HE2      MET  79  11.884  -2.781 -29.256
  595    HE3  MET  79           HE3      MET  79  10.231  -2.704 -29.897
  596    H    LEU  80           H        LEU  80  14.838   1.965 -24.826
  597    HA   LEU  80           HA       LEU  80  13.175   1.738 -22.512
  598    HB2  LEU  80           HB2      LEU  80  15.809   3.038 -23.179
  599    HB3  LEU  80           HB3      LEU  80  14.984   3.616 -21.756
  600    HG   LEU  80           HG       LEU  80  16.660   1.935 -21.226
  601   HD11  LEU  80          HD11      LEU  80  15.358   0.603 -19.691
  602   HD12  LEU  80          HD12      LEU  80  14.681   2.236 -19.760
  603   HD13  LEU  80          HD13      LEU  80  13.867   0.893 -20.602
  604   HD21  LEU  80          HD21      LEU  80  16.367  -0.427 -21.719
  605   HD22  LEU  80          HD22      LEU  80  14.897  -0.087 -22.655
  606   HD23  LEU  80          HD23      LEU  80  16.480   0.497 -23.223
  607    H    TYR  81           H        TYR  81  12.049   3.195 -21.297
  608    HA   TYR  81           HA       TYR  81  10.924   5.525 -22.743
  609    HB2  TYR  81           HB2      TYR  81   9.479   3.676 -21.851
  610    HB3  TYR  81           HB3      TYR  81   9.943   4.153 -20.219
  611    HD1  TYR  81           HD1      TYR  81   8.470   5.538 -23.405
  612    HD2  TYR  81           HD2      TYR  81   8.615   5.769 -19.098
  613    HE1  TYR  81           HE1      TYR  81   6.657   7.248 -23.430
  614    HE2  TYR  81           HE2      TYR  81   6.801   7.471 -19.126
  615    HH   TYR  81           HH       TYR  81   5.349   8.706 -20.422
  616    H    ASP  82           H        ASP  82  10.241   7.399 -21.291
  617    HA   ASP  82           HA       ASP  82  12.609   8.633 -20.199
  618    HB2  ASP  82           HB2      ASP  82  10.803   9.767 -21.520
  619    HB3  ASP  82           HB3      ASP  82   9.726   9.586 -20.133
  620    H    SER  83           H        SER  83  12.830   9.600 -18.084
  621    HA   SER  83           HA       SER  83  12.555   7.552 -16.103
  622    HB2  SER  83           HB2      SER  83  13.605  10.382 -15.770
  623    HB3  SER  83           HB3      SER  83  13.855   9.021 -14.654
  624    HG   SER  83           HG       SER  83  15.649   9.068 -15.972
  625    H    ASP  84           H        ASP  84  11.539   7.480 -14.113
  626    HA   ASP  84           HA       ASP  84   8.994   8.861 -13.898
  627    HB2  ASP  84           HB2      ASP  84   9.278   6.457 -13.425
  628    HB3  ASP  84           HB3      ASP  84  10.331   6.850 -12.058
  629    H    SER  85           H        SER  85  10.277  10.979 -13.810
  630    HA   SER  85           HA       SER  85  11.826  11.697 -11.543
  631    HB2  SER  85           HB2      SER  85  10.349  13.425 -13.553
  632    HB3  SER  85           HB3      SER  85  11.487  14.044 -12.341
  633    HG   SER  85           HG       SER  85  12.058  12.139 -14.403
  634    H    GLN  86           H        GLN  86   8.313  11.666 -11.763
  635    HA   GLN  86           HA       GLN  86   7.756  13.828  -9.997
  636    HB2  GLN  86           HB2      GLN  86   6.140  11.329 -10.668
  637    HB3  GLN  86           HB3      GLN  86   5.520  12.706  -9.748
  638    HG2  GLN  86           HG2      GLN  86   5.978  14.214 -11.668
  639    HG3  GLN  86           HG3      GLN  86   6.531  12.836 -12.621
  640   HE21  GLN  86          HE22      GLN  86   4.588  14.144 -13.860
  641   HE22  GLN  86          HE21      GLN  86   3.041  13.334 -13.667
  642    H    GLN  87           H        GLN  87   8.239  10.332  -9.180
  643    HA   GLN  87           HA       GLN  87   7.667  10.716  -6.374
  644    HB2  GLN  87           HB2      GLN  87   9.319   8.565  -7.776
  645    HB3  GLN  87           HB3      GLN  87   8.871   8.571  -6.063
  646    HG2  GLN  87           HG2      GLN  87   6.437   8.642  -6.757
  647    HG3  GLN  87           HG3      GLN  87   6.962   8.375  -8.421
  648   HE21  GLN  87          HE22      GLN  87   7.850   6.249  -8.997
  649   HE22  GLN  87          HE21      GLN  87   7.704   4.898  -7.862
  650    H    ILE  88           H        ILE  88  10.718  10.913  -8.244
  651    HA   ILE  88           HA       ILE  88  12.436  11.323  -5.952
  652    HB   ILE  88           HB       ILE  88  12.772  11.939  -8.917
  653   HG12  ILE  88          HG12      ILE  88  14.491  10.190  -8.840
  654   HG13  ILE  88          HG13      ILE  88  14.214   9.934  -7.118
  655   HG21  ILE  88          HG21      ILE  88  14.150  13.594  -7.708
  656   HG22  ILE  88          HG22      ILE  88  14.823  12.310  -6.683
  657   HG23  ILE  88          HG23      ILE  88  15.184  12.359  -8.419
  658   HD11  ILE  88          HD11      ILE  88  12.195   9.365  -9.322
  659   HD12  ILE  88          HD12      ILE  88  13.278   8.167  -8.593
  660   HD13  ILE  88          HD13      ILE  88  12.030   8.929  -7.599
  661    H    LEU  89           H        LEU  89  10.787  13.599  -8.200
  662    HA   LEU  89           HA       LEU  89  11.647  15.993  -6.942
  663    HB2  LEU  89           HB2      LEU  89  10.602  15.791  -9.178
  664    HB3  LEU  89           HB3      LEU  89   9.090  15.283  -8.478
  665    HG   LEU  89           HG       LEU  89   9.202  17.604  -9.394
  666   HD11  LEU  89          HD11      LEU  89   7.785  18.606  -7.777
  667   HD12  LEU  89          HD12      LEU  89   7.444  16.872  -7.771
  668   HD13  LEU  89          HD13      LEU  89   8.410  17.598  -6.464
  669   HD21  LEU  89          HD21      LEU  89  10.768  18.273  -6.870
  670   HD22  LEU  89          HD22      LEU  89  11.427  18.246  -8.518
  671   HD23  LEU  89          HD23      LEU  89  10.158  19.406  -8.090
  672    H    ASN  90           H        ASN  90   8.600  14.119  -6.270
  673    HA   ASN  90           HA       ASN  90   7.737  15.739  -4.129
  674    HB2  ASN  90           HB2      ASN  90   6.302  14.031  -5.085
  675    HB3  ASN  90           HB3      ASN  90   7.405  12.741  -4.607
  676   HD21  ASN  90          HD22      ASN  90   7.307  11.950  -2.446
  677   HD22  ASN  90          HD21      ASN  90   6.389  12.753  -1.181
  678    H    ARG  91           H        ARG  91   9.898  12.804  -3.874
  679    HA   ARG  91           HA       ARG  91  10.140  13.204  -1.034
  680    HB2  ARG  91           HB2      ARG  91  10.361  11.003  -2.142
  681    HB3  ARG  91           HB3      ARG  91  11.852  11.532  -2.914
  682    HG2  ARG  91           HG2      ARG  91  12.297  10.100  -0.955
  683    HG3  ARG  91           HG3      ARG  91  12.960  11.717  -0.714
  684    HD2  ARG  91           HD2      ARG  91  10.936  12.305   0.649
  685    HD3  ARG  91           HD3      ARG  91  10.364  10.631   0.462
  686    HE   ARG  91           HE       ARG  91  12.987  10.479   1.501
  687   HH11  ARG  91          HH11      ARG  91   9.938  11.858   2.644
  688   HH12  ARG  91          HH12      ARG  91  10.436  11.680   4.313
  689   HH21  ARG  91          HH21      ARG  91  13.543  10.355   3.500
  690   HH22  ARG  91          HH22      ARG  91  12.476  10.832   4.817
  691    H    LEU  92           H        LEU  92  12.094  14.475  -3.721
  692    HA   LEU  92           HA       LEU  92  14.160  15.496  -1.969
  693    HB2  LEU  92           HB2      LEU  92  14.363  15.038  -4.426
  694    HB3  LEU  92           HB3      LEU  92  13.309  16.413  -4.743
  695    HG   LEU  92           HG       LEU  92  15.016  17.925  -3.708
  696   HD11  LEU  92          HD11      LEU  92  16.186  16.373  -2.181
  697   HD12  LEU  92          HD12      LEU  92  16.721  15.395  -3.573
  698   HD13  LEU  92          HD13      LEU  92  17.313  17.058  -3.347
  699   HD21  LEU  92          HD21      LEU  92  14.995  17.566  -6.106
  700   HD22  LEU  92          HD22      LEU  92  16.677  17.629  -5.557
  701   HD23  LEU  92          HD23      LEU  92  15.955  16.066  -5.938
  702    H    ARG  93           H        ARG  93  11.021  16.846  -3.122
  703    HA   ARG  93           HA       ARG  93  11.377  19.438  -1.824
  704    HB2  ARG  93           HB2      ARG  93   8.937  17.898  -2.807
  705    HB3  ARG  93           HB3      ARG  93   8.807  19.423  -1.928
  706    HG2  ARG  93           HG2      ARG  93  10.219  20.549  -3.639
  707    HG3  ARG  93           HG3      ARG  93  10.285  19.038  -4.570
  708    HD2  ARG  93           HD2      ARG  93   7.805  19.067  -4.761
  709    HD3  ARG  93           HD3      ARG  93   7.747  20.548  -3.789
  710    HE   ARG  93           HE       ARG  93   9.451  21.086  -6.000
  711   HH11  ARG  93          HH11      ARG  93   6.012  20.476  -5.520
  712   HH12  ARG  93          HH12      ARG  93   5.591  21.423  -6.923
  713   HH21  ARG  93          HH21      ARG  93   8.872  22.288  -7.621
  714   HH22  ARG  93          HH22      ARG  93   7.192  22.452  -8.109
  715    H    GLU  94           H        GLU  94   9.967  16.317  -0.678
  716    HA   GLU  94           HA       GLU  94   9.307  17.259   1.933
  717    HB2  GLU  94           HB2      GLU  94  10.294  14.536   1.014
  718    HB3  GLU  94           HB3      GLU  94   9.708  14.875   2.645
  719    HG2  GLU  94           HG2      GLU  94   7.505  15.468   1.797
  720    HG3  GLU  94           HG3      GLU  94   8.049  15.282   0.133
  721    H    ARG  95           H        ARG  95  12.397  15.695   0.857
  722    HA   ARG  95           HA       ARG  95  13.799  15.967   3.303
  723    HB2  ARG  95           HB2      ARG  95  14.664  15.747   0.396
  724    HB3  ARG  95           HB3      ARG  95  15.856  15.935   1.681
  725    HG2  ARG  95           HG2      ARG  95  15.152  13.921   2.789
  726    HG3  ARG  95           HG3      ARG  95  13.796  13.687   1.670
  727    HD2  ARG  95           HD2      ARG  95  15.194  13.146  -0.135
  728    HD3  ARG  95           HD3      ARG  95  16.590  13.963   0.556
  729    HE   ARG  95           HE       ARG  95  15.499  11.388   1.676
  730   HH11  ARG  95          HH11      ARG  95  18.433  13.296   0.949
  731   HH12  ARG  95          HH12      ARG  95  19.397  11.819   1.140
  732   HH21  ARG  95          HH21      ARG  95  16.941   9.786   2.141
  733   HH22  ARG  95          HH22      ARG  95  18.637  10.039   1.802
  734    H    VAL  96           H        VAL  96  13.718  18.309   0.589
  735    HA   VAL  96           HA       VAL  96  15.611  20.051   2.053
  736    HB   VAL  96           HB       VAL  96  14.480  20.253  -0.751
  737   HG11  VAL  96          HG11      VAL  96  16.409  21.813  -1.118
  738   HG12  VAL  96          HG12      VAL  96  15.199  22.474  -0.022
  739   HG13  VAL  96          HG13      VAL  96  16.711  21.802   0.632
  740   HG21  VAL  96          HG21      VAL  96  15.939  18.268  -0.440
  741   HG22  VAL  96          HG22      VAL  96  16.766  19.492  -1.391
  742   HG23  VAL  96          HG23      VAL  96  17.170  19.293   0.327
  743    H    SER  97           H        SER  97  12.176  20.148   1.101
  744    HA   SER  97           HA       SER  97  11.968  22.886   2.239
  745    HB2  SER  97           HB2      SER  97  10.094  21.551   0.269
  746    HB3  SER  97           HB3      SER  97  10.067  23.228   0.826
  747    HG   SER  97           HG       SER  97  11.129  23.122  -1.166
  748    H    GLY  98           H        GLY  98  11.040  19.631   3.059
  749    HA2  GLY  98           HA2      GLY  98   8.597  20.293   4.496
  750    HA3  GLY  98           HA3      GLY  98   9.561  18.826   4.637
  751    H    SER  99           H        SER  99   8.494  19.701   6.884
  752    HA   SER  99           HA       SER  99  10.770  20.670   8.522
  753    HB2  SER  99           HB2      SER  99   9.329  22.246   9.726
  754    HB3  SER  99           HB3      SER  99   9.464  22.668   8.009
  755    HG   SER  99           HG       SER  99   7.290  22.803   8.731
  756    H    THR 100           H        THR 100  10.416  20.418  10.843
  757    HA   THR 100           HA       THR 100  10.155  19.081  12.635
  758    HB   THR 100           HB       THR 100   7.248  18.700  11.901
  759    HG1  THR 100           HG1      THR 100   7.635  20.842  11.465
  760   HG21  THR 100          HG21      THR 100   6.943  19.179  14.315
  761   HG22  THR 100          HG22      THR 100   8.004  17.785  14.099
  762   HG23  THR 100          HG23      THR 100   8.699  19.370  14.512
  763    H    ALA 101           H        ALA 101  11.281  17.657  10.557
  764    HA   ALA 101           HA       ALA 101  10.008  15.236   9.872
  765    HB1  ALA 101           HB1      ALA 101  12.233  14.589   9.042
  766    HB2  ALA 101           HB2      ALA 101  11.866  16.272   8.633
  767    HB3  ALA 101           HB3      ALA 101  12.979  15.907   9.973
  768    H    GLN 102           H        GLN 102  11.722  15.976  12.832
  769    HA   GLN 102           HA       GLN 102  12.218  13.271  13.700
  770    HB2  GLN 102           HB2      GLN 102  13.390  15.300  14.530
  771    HB3  GLN 102           HB3      GLN 102  11.890  15.867  15.257
  772    HG2  GLN 102           HG2      GLN 102  13.343  14.947  16.956
  773    HG3  GLN 102           HG3      GLN 102  11.896  13.968  16.829
  774   HE21  GLN 102          HE22      GLN 102  13.378  12.410  18.059
  775   HE22  GLN 102          HE21      GLN 102  14.434  11.393  17.089
  776    H    SER 103           H        SER 103   9.290  15.128  13.527
  777    HA   SER 103           HA       SER 103   7.193  14.931  14.302
  778    HB2  SER 103           HB2      SER 103   7.550  12.658  13.218
  779    HB3  SER 103           HB3      SER 103   7.691  12.001  14.860
  780    HG   SER 103           HG       SER 103   5.513  11.961  13.974
  781    H    ALA 104           H        ALA 104   5.823  13.786  16.231
  782    HA   ALA 104           HA       ALA 104   6.670  15.213  18.626
  783    HB1  ALA 104           HB1      ALA 104   4.474  14.509  19.488
  784    HB2  ALA 104           HB2      ALA 104   4.327  15.210  17.869
  785    HB3  ALA 104           HB3      ALA 104   4.246  13.444  18.084
  Start of MODEL   15
    1    H1   SER   1           H1       SER   1   2.465 -10.282   6.903
    2    H2   SER   1           H2       SER   1   2.468 -10.020   8.518
    3    H3   SER   1           H3       SER   1   2.126  -8.794   7.479
    4    HA   SER   1           HA       SER   1   4.699 -10.218   7.714
    5    HB2  SER   1           HB2      SER   1   4.088  -7.846   5.916
    6    HB3  SER   1           HB3      SER   1   5.650  -8.663   6.118
    7    HG   SER   1           HG       SER   1   4.491  -9.465   4.299
    8    H    VAL   2           H        VAL   2   3.626  -6.728   7.841
    9    HA   VAL   2           HA       VAL   2   4.854  -6.521  10.551
   10    HB   VAL   2           HB       VAL   2   5.782  -4.319   9.996
   11   HG11  VAL   2          HG11      VAL   2   6.922  -6.482   8.193
   12   HG12  VAL   2          HG12      VAL   2   7.768  -5.062   8.842
   13   HG13  VAL   2          HG13      VAL   2   7.216  -6.335   9.942
   14   HG21  VAL   2          HG21      VAL   2   5.214  -4.981   7.074
   15   HG22  VAL   2          HG22      VAL   2   4.411  -3.709   8.024
   16   HG23  VAL   2          HG23      VAL   2   6.142  -3.599   7.688
   17    H    SER   3           H        SER   3   4.078  -4.752  11.838
   18    HA   SER   3           HA       SER   3   1.256  -4.345  11.712
   19    HB2  SER   3           HB2      SER   3   3.353  -2.800  13.286
   20    HB3  SER   3           HB3      SER   3   1.606  -2.810  13.593
   21    HG   SER   3           HG       SER   3   2.723  -4.313  14.943
   22    H    ILE   4           H        ILE   4  -0.006  -2.606  11.159
   23    HA   ILE   4           HA       ILE   4   0.749  -1.145   8.894
   24    HB   ILE   4           HB       ILE   4  -1.368  -0.076   8.959
   25   HG12  ILE   4          HG12      ILE   4  -1.604   0.690  11.229
   26   HG13  ILE   4          HG13      ILE   4  -3.004  -0.225  10.720
   27   HG21  ILE   4          HG21      ILE   4  -1.688  -2.941   9.928
   28   HG22  ILE   4          HG22      ILE   4  -2.842  -1.989   8.978
   29   HG23  ILE   4          HG23      ILE   4  -1.273  -2.422   8.282
   30   HD11  ILE   4          HD11      ILE   4  -0.862  -1.160  12.671
   31   HD12  ILE   4          HD12      ILE   4  -2.541  -0.737  13.016
   32   HD13  ILE   4          HD13      ILE   4  -2.187  -2.188  12.067
   33    H    LEU   5           H        LEU   5   1.382  -0.192  12.141
   34    HA   LEU   5           HA       LEU   5   1.584   2.653  11.700
   35    HB2  LEU   5           HB2      LEU   5   1.233   1.521  13.894
   36    HB3  LEU   5           HB3      LEU   5   2.853   0.834  13.791
   37    HG   LEU   5           HG       LEU   5   3.839   3.106  13.937
   38   HD11  LEU   5          HD11      LEU   5   2.388   5.024  14.578
   39   HD12  LEU   5          HD12      LEU   5   2.062   4.481  12.933
   40   HD13  LEU   5          HD13      LEU   5   0.948   4.035  14.247
   41   HD21  LEU   5          HD21      LEU   5   3.410   1.796  15.976
   42   HD22  LEU   5          HD22      LEU   5   3.251   3.534  16.274
   43   HD23  LEU   5          HD23      LEU   5   1.794   2.525  16.112
   44    H    ARG   6           H        ARG   6   3.664   0.009  10.790
   45    HA   ARG   6           HA       ARG   6   6.167   1.567  10.751
   46    HB2  ARG   6           HB2      ARG   6   5.527  -1.170   9.569
   47    HB3  ARG   6           HB3      ARG   6   7.126  -0.464   9.723
   48    HG2  ARG   6           HG2      ARG   6   5.291  -1.335  11.997
   49    HG3  ARG   6           HG3      ARG   6   6.755  -2.143  11.459
   50    HD2  ARG   6           HD2      ARG   6   6.609   0.615  12.751
   51    HD3  ARG   6           HD3      ARG   6   7.101  -0.889  13.542
   52    HE   ARG   6           HE       ARG   6   8.813  -0.684  11.362
   53   HH11  ARG   6          HH11      ARG   6   8.231   1.259  14.225
   54   HH12  ARG   6          HH12      ARG   6   9.855   1.889  14.239
   55   HH21  ARG   6          HH21      ARG   6  10.863   0.173  11.431
   56   HH22  ARG   6          HH22      ARG   6  11.305   1.279  12.697
   57    H    SER   7           H        SER   7   7.287   2.303   8.981
   58    HA   SER   7           HA       SER   7   5.774   3.237   6.718
   59    HB2  SER   7           HB2      SER   7   8.788   3.168   7.112
   60    HB3  SER   7           HB3      SER   7   7.897   4.133   5.921
   61    HG   SER   7           HG       SER   7   8.410   5.360   7.816
   62    H    SER   8           H        SER   8   5.936   2.700   4.509
   63    HA   SER   8           HA       SER   8   6.413  -0.116   3.923
   64    HB2  SER   8           HB2      SER   8   5.506   0.402   1.739
   65    HB3  SER   8           HB3      SER   8   4.500   1.139   2.997
   66    HG   SER   8           HG       SER   8   4.892   2.647   1.349
   67    H    VAL   9           H        VAL   9   7.664  -0.856   2.041
   68    HA   VAL   9           HA       VAL   9  10.386  -0.156   2.223
   69    HB   VAL   9           HB       VAL   9   9.473  -2.323   1.462
   70   HG11  VAL   9          HG11      VAL   9   9.118  -1.022  -1.270
   71   HG12  VAL   9          HG12      VAL   9   8.901  -2.731  -0.859
   72   HG13  VAL   9          HG13      VAL   9   7.791  -1.523  -0.196
   73   HG21  VAL   9          HG21      VAL   9  11.253  -2.872  -0.089
   74   HG22  VAL   9          HG22      VAL   9  11.516  -1.162  -0.472
   75   HG23  VAL   9          HG23      VAL   9  11.860  -1.779   1.161
   76    H    ASN  10           H        ASN  10   7.951   1.329   0.166
   77    HA   ASN  10           HA       ASN  10   9.636   2.525  -1.770
   78    HB2  ASN  10           HB2      ASN  10   7.213   2.400  -1.974
   79    HB3  ASN  10           HB3      ASN  10   7.006   3.484  -0.592
   80   HD21  ASN  10          HD22      ASN  10   8.758   3.446  -3.809
   81   HD22  ASN  10          HD21      ASN  10   8.181   5.070  -4.198
   82    H    HIS  11           H        HIS  11   9.158   3.447   1.628
   83    HA   HIS  11           HA       HIS  11  10.251   6.122   1.371
   84    HB2  HIS  11           HB2      HIS  11   9.963   4.240   3.750
   85    HB3  HIS  11           HB3      HIS  11  10.636   5.857   3.872
   86    HD2  HIS  11           HD2      HIS  11   7.279   4.111   2.992
   87    HE1  HIS  11           HE1      HIS  11   6.393   8.163   3.973
   88    HE2  HIS  11           HE2      HIS  11   5.385   5.896   3.393
   89    H    ARG  12           H        ARG  12  11.827   3.049   2.468
   90    HA   ARG  12           HA       ARG  12  14.469   4.236   2.392
   91    HB2  ARG  12           HB2      ARG  12  15.344   2.012   2.705
   92    HB3  ARG  12           HB3      ARG  12  14.065   2.380   3.855
   93    HG2  ARG  12           HG2      ARG  12  12.474   0.991   2.606
   94    HG3  ARG  12           HG3      ARG  12  13.690   0.642   1.367
   95    HD2  ARG  12           HD2      ARG  12  13.982  -0.066   4.316
   96    HD3  ARG  12           HD3      ARG  12  13.344  -1.169   3.080
   97    HE   ARG  12           HE       ARG  12  15.837  -0.276   2.114
   98   HH11  ARG  12          HH11      ARG  12  14.741  -2.219   4.823
   99   HH12  ARG  12          HH12      ARG  12  16.236  -3.111   4.899
  100   HH21  ARG  12          HH21      ARG  12  17.718  -1.439   2.279
  101   HH22  ARG  12          HH22      ARG  12  17.876  -2.671   3.497
  102    H    GLU  13           H        GLU  13  12.625   2.417  -0.055
  103    HA   GLU  13           HA       GLU  13  14.628   2.114  -2.025
  104    HB2  GLU  13           HB2      GLU  13  12.408   1.121  -2.130
  105    HB3  GLU  13           HB3      GLU  13  11.669   2.720  -2.143
  106    HG2  GLU  13           HG2      GLU  13  12.598   3.159  -4.391
  107    HG3  GLU  13           HG3      GLU  13  13.311   1.539  -4.394
  108    H    VAL  14           H        VAL  14  12.382   4.941  -1.590
  109    HA   VAL  14           HA       VAL  14  13.736   6.389  -3.724
  110    HB   VAL  14           HB       VAL  14  11.599   7.334  -1.802
  111   HG11  VAL  14          HG11      VAL  14  11.136   9.074  -3.495
  112   HG12  VAL  14          HG12      VAL  14  12.820   9.227  -2.960
  113   HG13  VAL  14          HG13      VAL  14  12.457   8.458  -4.510
  114   HG21  VAL  14          HG21      VAL  14  11.354   6.356  -4.693
  115   HG22  VAL  14          HG22      VAL  14  10.901   5.398  -3.286
  116   HG23  VAL  14          HG23      VAL  14  10.031   6.892  -3.615
  117    H    ASP  15           H        ASP  15  13.944   6.502  -0.130
  118    HA   ASP  15           HA       ASP  15  15.703   8.767   0.004
  119    HB2  ASP  15           HB2      ASP  15  14.643   7.779   1.972
  120    HB3  ASP  15           HB3      ASP  15  15.497   6.258   1.707
  121    H    GLU  16           H        GLU  16  16.439   5.250  -0.432
  122    HA   GLU  16           HA       GLU  16  19.266   5.544  -0.710
  123    HB2  GLU  16           HB2      GLU  16  18.197   3.397  -0.261
  124    HB3  GLU  16           HB3      GLU  16  17.343   3.455  -1.813
  125    HG2  GLU  16           HG2      GLU  16  19.456   3.312  -3.039
  126    HG3  GLU  16           HG3      GLU  16  20.373   3.406  -1.530
  127    H    ALA  17           H        ALA  17  16.651   5.587  -3.223
  128    HA   ALA  17           HA       ALA  17  18.432   5.878  -5.411
  129    HB1  ALA  17           HB1      ALA  17  15.558   6.855  -5.110
  130    HB2  ALA  17           HB2      ALA  17  16.434   6.644  -6.642
  131    HB3  ALA  17           HB3      ALA  17  16.064   5.234  -5.628
  132    H    ILE  18           H        ILE  18  16.833   8.432  -3.389
  133    HA   ILE  18           HA       ILE  18  17.981  10.659  -4.786
  134    HB   ILE  18           HB       ILE  18  16.904  10.268  -1.963
  135   HG12  ILE  18          HG12      ILE  18  15.969  11.924  -4.353
  136   HG13  ILE  18          HG13      ILE  18  15.365  10.324  -3.935
  137   HG21  ILE  18          HG21      ILE  18  17.992  12.893  -3.083
  138   HG22  ILE  18          HG22      ILE  18  17.068  12.719  -1.577
  139   HG23  ILE  18          HG23      ILE  18  18.652  11.994  -1.701
  140   HD11  ILE  18          HD11      ILE  18  14.964  12.859  -2.310
  141   HD12  ILE  18          HD12      ILE  18  13.755  11.945  -3.214
  142   HD13  ILE  18          HD13      ILE  18  14.498  11.223  -1.773
  143    H    ASP  19           H        ASP  19  19.237   8.852  -1.879
  144    HA   ASP  19           HA       ASP  19  21.641  10.362  -1.664
  145    HB2  ASP  19           HB2      ASP  19  20.764   8.852   0.068
  146    HB3  ASP  19           HB3      ASP  19  21.091   7.456  -0.967
  147    H    ASN  20           H        ASN  20  20.950   7.443  -3.672
  148    HA   ASN  20           HA       ASN  20  23.587   7.108  -4.677
  149    HB2  ASN  20           HB2      ASN  20  21.713   5.455  -4.848
  150    HB3  ASN  20           HB3      ASN  20  20.909   6.501  -6.017
  151   HD21  ASN  20          HD22      ASN  20  20.998   4.562  -7.430
  152   HD22  ASN  20          HD21      ASN  20  22.486   4.256  -8.299
  153    H    ILE  21           H        ILE  21  20.856   9.104  -6.004
  154    HA   ILE  21           HA       ILE  21  22.412  10.142  -8.213
  155    HB   ILE  21           HB       ILE  21  19.774  10.822  -6.921
  156   HG12  ILE  21          HG12      ILE  21  19.063  10.841  -9.335
  157   HG13  ILE  21          HG13      ILE  21  20.716  10.451  -9.806
  158   HG21  ILE  21          HG21      ILE  21  20.560  13.077  -7.029
  159   HG22  ILE  21          HG22      ILE  21  21.321  12.826  -8.615
  160   HG23  ILE  21          HG23      ILE  21  19.559  12.845  -8.453
  161   HD11  ILE  21          HD11      ILE  21  20.490   8.271  -8.570
  162   HD12  ILE  21          HD12      ILE  21  18.836   8.754  -8.095
  163   HD13  ILE  21          HD13      ILE  21  19.233   8.475  -9.803
  164    H    LEU  22           H        LEU  22  21.772  11.407  -4.941
  165    HA   LEU  22           HA       LEU  22  23.069  13.874  -5.152
  166    HB2  LEU  22           HB2      LEU  22  21.555  12.995  -3.343
  167    HB3  LEU  22           HB3      LEU  22  22.848  11.933  -2.810
  168    HG   LEU  22           HG       LEU  22  24.215  14.038  -2.347
  169   HD11  LEU  22          HD11      LEU  22  22.886  15.659  -3.662
  170   HD12  LEU  22          HD12      LEU  22  21.442  15.293  -2.696
  171   HD13  LEU  22          HD13      LEU  22  22.849  16.079  -1.948
  172   HD21  LEU  22          HD21      LEU  22  23.145  12.708  -0.575
  173   HD22  LEU  22          HD22      LEU  22  23.074  14.435  -0.201
  174   HD23  LEU  22          HD23      LEU  22  21.629  13.596  -0.811
  175    H    ARG  23           H        ARG  23  24.496  10.725  -4.111
  176    HA   ARG  23           HA       ARG  23  27.192  11.860  -3.980
  177    HB2  ARG  23           HB2      ARG  23  26.163   9.023  -3.689
  178    HB3  ARG  23           HB3      ARG  23  27.834   9.509  -3.418
  179    HG2  ARG  23           HG2      ARG  23  25.443  10.590  -1.835
  180    HG3  ARG  23           HG3      ARG  23  26.472   9.258  -1.348
  181    HD2  ARG  23           HD2      ARG  23  27.287  11.061  -0.132
  182    HD3  ARG  23           HD3      ARG  23  28.455  10.831  -1.422
  183    HE   ARG  23           HE       ARG  23  26.289  12.940  -1.455
  184   HH11  ARG  23          HH11      ARG  23  29.710  12.231  -1.788
  185   HH12  ARG  23          HH12      ARG  23  30.060  13.830  -2.414
  186   HH21  ARG  23          HH21      ARG  23  26.876  15.044  -2.173
  187   HH22  ARG  23          HH22      ARG  23  28.574  15.364  -2.383
  188    H    TYR  24           H        TYR  24  25.500   9.927  -6.482
  189    HA   TYR  24           HA       TYR  24  27.793   9.579  -8.182
  190    HB2  TYR  24           HB2      TYR  24  25.694   8.404  -8.536
  191    HB3  TYR  24           HB3      TYR  24  24.827   9.921  -8.773
  192    HD1  TYR  24           HD2      TYR  24  27.551   7.790 -10.235
  193    HD2  TYR  24           HD1      TYR  24  24.597  10.861 -10.932
  194    HE1  TYR  24           HE2      TYR  24  27.987   7.655 -12.684
  195    HE2  TYR  24           HE1      TYR  24  25.020  10.704 -13.380
  196    HH   TYR  24           HH       TYR  24  26.227   9.683 -15.061
  197    H    THR  25           H        THR  25  25.472  12.274  -7.842
  198    HA   THR  25           HA       THR  25  26.791  13.952  -9.840
  199    HB   THR  25           HB       THR  25  24.645  14.706  -7.829
  200    HG1  THR  25           HG1      THR  25  23.801  13.063  -8.930
  201   HG21  THR  25          HG21      THR  25  23.893  16.213  -9.662
  202   HG22  THR  25          HG22      THR  25  25.473  16.676  -9.015
  203   HG23  THR  25          HG23      THR  25  25.362  15.819 -10.574
  204    H    ASN  26           H        ASN  26  27.463  13.240  -6.583
  205    HA   ASN  26           HA       ASN  26  28.480  14.193  -4.871
  206    HB2  ASN  26           HB2      ASN  26  30.357  13.878  -6.526
  207    HB3  ASN  26           HB3      ASN  26  30.247  15.601  -6.893
  208   HD21  ASN  26          HD22      ASN  26  32.575  15.546  -6.122
  209   HD22  ASN  26          HD21      ASN  26  32.847  15.655  -4.391
  210    H    SER  27           H        SER  27  26.127  15.413  -5.340
  211    HA   SER  27           HA       SER  27  26.532  18.353  -4.983
  212    HB2  SER  27           HB2      SER  27  24.091  18.443  -5.569
  213    HB3  SER  27           HB3      SER  27  25.154  17.830  -6.851
  214    HG   SER  27           HG       SER  27  23.204  16.541  -6.486
  215    H    THR  28           H        THR  28  24.771  19.392  -3.620
  216    HA   THR  28           HA       THR  28  24.209  17.805  -1.139
  217    HB   THR  28           HB       THR  28  25.659  19.656  -0.645
  218    HG1  THR  28           HG1      THR  28  24.391  20.400   1.047
  219   HG21  THR  28          HG21      THR  28  24.909  21.979  -0.728
  220   HG22  THR  28          HG22      THR  28  24.958  21.314  -2.368
  221   HG23  THR  28          HG23      THR  28  23.399  21.505  -1.526
  222    H    GLU  29           H        GLU  29  22.090  18.250  -0.068
  223    HA   GLU  29           HA       GLU  29  20.121  17.565  -2.045
  224    HB2  GLU  29           HB2      GLU  29  19.856  18.172   0.922
  225    HB3  GLU  29           HB3      GLU  29  18.571  17.487  -0.090
  226    HG2  GLU  29           HG2      GLU  29  19.984  15.551  -0.635
  227    HG3  GLU  29           HG3      GLU  29  21.310  16.210   0.329
  228    H    GLN  30           H        GLN  30  20.692  20.654  -0.356
  229    HA   GLN  30           HA       GLN  30  18.267  21.923  -1.335
  230    HB2  GLN  30           HB2      GLN  30  20.906  23.124  -0.390
  231    HB3  GLN  30           HB3      GLN  30  19.411  24.023  -0.683
  232    HG2  GLN  30           HG2      GLN  30  18.251  22.685   1.060
  233    HG3  GLN  30           HG3      GLN  30  19.732  21.774   1.359
  234   HE21  GLN  30          HE22      GLN  30  18.079  24.850   1.981
  235   HE22  GLN  30          HE21      GLN  30  19.311  25.434   3.091
  236    H    GLN  31           H        GLN  31  21.637  21.837  -2.532
  237    HA   GLN  31           HA       GLN  31  21.295  23.344  -4.922
  238    HB2  GLN  31           HB2      GLN  31  23.451  22.688  -3.887
  239    HB3  GLN  31           HB3      GLN  31  23.104  20.998  -4.247
  240    HG2  GLN  31           HG2      GLN  31  23.096  21.661  -6.725
  241    HG3  GLN  31           HG3      GLN  31  23.740  23.220  -6.197
  242   HE21  GLN  31          HE22      GLN  31  25.676  22.570  -7.586
  243   HE22  GLN  31          HE21      GLN  31  26.836  21.464  -6.870
  244    H    PHE  32           H        PHE  32  20.815  19.806  -4.293
  245    HA   PHE  32           HA       PHE  32  20.089  19.164  -6.982
  246    HB2  PHE  32           HB2      PHE  32  20.861  17.535  -5.330
  247    HB3  PHE  32           HB3      PHE  32  19.435  17.822  -4.345
  248    HD1  PHE  32           HD2      PHE  32  19.073  17.498  -8.057
  249    HD2  PHE  32           HD1      PHE  32  19.005  15.433  -4.265
  250    HE1  PHE  32           HE2      PHE  32  17.870  15.614  -9.101
  251    HE2  PHE  32           HE1      PHE  32  17.789  13.546  -5.335
  252    HZ   PHE  32           HZ       PHE  32  17.194  13.652  -7.739
  253    H    LEU  33           H        LEU  33  17.995  20.132  -4.166
  254    HA   LEU  33           HA       LEU  33  15.542  19.978  -5.607
  255    HB2  LEU  33           HB2      LEU  33  15.748  20.130  -3.172
  256    HB3  LEU  33           HB3      LEU  33  16.368  21.763  -3.282
  257    HG   LEU  33           HG       LEU  33  14.020  21.553  -2.508
  258   HD11  LEU  33          HD11      LEU  33  13.132  23.434  -3.613
  259   HD12  LEU  33          HD12      LEU  33  14.887  23.662  -3.576
  260   HD13  LEU  33          HD13      LEU  33  14.073  23.159  -5.076
  261   HD21  LEU  33          HD21      LEU  33  13.268  19.716  -3.974
  262   HD22  LEU  33          HD22      LEU  33  12.206  21.126  -4.059
  263   HD23  LEU  33          HD23      LEU  33  13.343  20.802  -5.380
  264    H    GLU  34           H        GLU  34  17.793  22.750  -5.269
  265    HA   GLU  34           HA       GLU  34  16.297  24.526  -6.959
  266    HB2  GLU  34           HB2      GLU  34  19.247  24.404  -6.228
  267    HB3  GLU  34           HB3      GLU  34  18.545  25.686  -7.219
  268    HG2  GLU  34           HG2      GLU  34  16.953  26.248  -5.401
  269    HG3  GLU  34           HG3      GLU  34  17.688  25.029  -4.371
  270    H    ALA  35           H        ALA  35  18.818  22.134  -7.803
  271    HA   ALA  35           HA       ALA  35  18.931  22.755 -10.588
  272    HB1  ALA  35           HB1      ALA  35  20.580  21.390  -9.314
  273    HB2  ALA  35           HB2      ALA  35  19.390  20.085  -9.178
  274    HB3  ALA  35           HB3      ALA  35  19.996  20.564 -10.774
  275    H    MET  36           H        MET  36  16.857  20.435  -8.784
  276    HA   MET  36           HA       MET  36  15.419  19.456 -11.082
  277    HB2  MET  36           HB2      MET  36  14.803  19.601  -8.101
  278    HB3  MET  36           HB3      MET  36  13.710  18.843  -9.263
  279    HG2  MET  36           HG2      MET  36  16.639  18.046  -9.085
  280    HG3  MET  36           HG3      MET  36  15.430  17.345  -8.023
  281    HE1  MET  36           HE1      MET  36  13.278  15.077 -10.129
  282    HE2  MET  36           HE2      MET  36  13.851  15.562  -8.515
  283    HE3  MET  36           HE3      MET  36  12.891  16.685  -9.505
  284    H    GLU  37           H        GLU  37  14.666  22.183  -8.805
  285    HA   GLU  37           HA       GLU  37  12.266  22.984 -10.112
  286    HB2  GLU  37           HB2      GLU  37  13.105  23.706  -7.852
  287    HB3  GLU  37           HB3      GLU  37  14.320  24.699  -8.662
  288    HG2  GLU  37           HG2      GLU  37  12.524  26.126  -7.995
  289    HG3  GLU  37           HG3      GLU  37  12.477  26.010  -9.743
  290    H    SER  38           H        SER  38  15.672  23.974 -10.748
  291    HA   SER  38           HA       SER  38  15.095  25.834 -12.834
  292    HB2  SER  38           HB2      SER  38  17.203  25.677 -11.527
  293    HB3  SER  38           HB3      SER  38  17.599  24.164 -12.373
  294    HG   SER  38           HG       SER  38  18.572  26.087 -13.309
  295    H    THR  39           H        THR  39  15.499  22.292 -12.937
  296    HA   THR  39           HA       THR  39  15.474  22.317 -15.919
  297    HB   THR  39           HB       THR  39  16.220  19.978 -15.768
  298    HG1  THR  39           HG1      THR  39  16.601  20.484 -13.018
  299   HG21  THR  39          HG21      THR  39  18.488  20.420 -14.974
  300   HG22  THR  39          HG22      THR  39  17.892  21.792 -15.924
  301   HG23  THR  39          HG23      THR  39  17.952  21.901 -14.152
  302    H    GLY  40           H        GLY  40  13.068  22.296 -13.731
  303    HA2  GLY  40           HA2      GLY  40  10.820  21.912 -14.118
  304    HA3  GLY  40           HA3      GLY  40  11.205  21.141 -15.658
  305    H    GLY  41           H        GLY  41  12.805  19.939 -12.815
  306    HA2  GLY  41           HA2      GLY  41  12.342  18.214 -11.336
  307    HA3  GLY  41           HA3      GLY  41  10.774  17.949 -12.108
  308    H    ARG  42           H        ARG  42  13.137  17.866 -14.542
  309    HA   ARG  42           HA       ARG  42  13.022  14.920 -14.723
  310    HB2  ARG  42           HB2      ARG  42  14.142  17.175 -16.429
  311    HB3  ARG  42           HB3      ARG  42  14.603  15.511 -16.762
  312    HG2  ARG  42           HG2      ARG  42  11.677  16.333 -16.605
  313    HG3  ARG  42           HG3      ARG  42  12.628  16.477 -18.091
  314    HD2  ARG  42           HD2      ARG  42  13.172  14.041 -17.997
  315    HD3  ARG  42           HD3      ARG  42  12.207  13.889 -16.533
  316    HE   ARG  42           HE       ARG  42  10.233  14.042 -17.720
  317   HH11  ARG  42          HH12      ARG  42  12.817  14.709 -20.014
  318   HH12  ARG  42          HH11      ARG  42  11.750  14.550 -21.378
  319   HH21  ARG  42          HH21      ARG  42   8.947  13.872 -19.508
  320   HH22  ARG  42          HH22      ARG  42   9.617  14.092 -21.094
  321    H    VAL  43           H        VAL  43  14.221  13.814 -13.312
  322    HA   VAL  43           HA       VAL  43  16.544  14.708 -11.982
  323    HB   VAL  43           HB       VAL  43  15.695  11.859 -12.629
  324   HG11  VAL  43          HG11      VAL  43  17.026  11.226 -10.619
  325   HG12  VAL  43          HG12      VAL  43  18.063  11.823 -11.912
  326   HG13  VAL  43          HG13      VAL  43  17.676  12.878 -10.530
  327   HG21  VAL  43          HG21      VAL  43  14.726  11.869 -10.401
  328   HG22  VAL  43          HG22      VAL  43  15.316  13.520 -10.097
  329   HG23  VAL  43          HG23      VAL  43  14.050  13.226 -11.309
  330    H    ARG  44           H        ARG  44  16.402  12.831 -15.063
  331    HA   ARG  44           HA       ARG  44  19.210  12.533 -15.353
  332    HB2  ARG  44           HB2      ARG  44  18.782  11.965 -17.630
  333    HB3  ARG  44           HB3      ARG  44  17.568  11.238 -16.593
  334    HG2  ARG  44           HG2      ARG  44  15.944  13.079 -17.282
  335    HG3  ARG  44           HG3      ARG  44  17.179  13.673 -18.406
  336    HD2  ARG  44           HD2      ARG  44  15.991  10.869 -18.441
  337    HD3  ARG  44           HD3      ARG  44  15.451  12.208 -19.467
  338    HE   ARG  44           HE       ARG  44  18.181  12.058 -19.965
  339   HH11  ARG  44          HH21      ARG  44  15.513   9.816 -20.369
  340   HH12  ARG  44          HH22      ARG  44  16.308   8.968 -21.661
  341   HH21  ARG  44          HH12      ARG  44  19.139  10.923 -21.612
  342   HH22  ARG  44          HH11      ARG  44  18.302   9.592 -22.355
  343    H    ILE  45           H        ILE  45  17.171  15.299 -16.278
  344    HA   ILE  45           HA       ILE  45  19.353  16.673 -17.674
  345    HB   ILE  45           HB       ILE  45  16.684  17.786 -16.750
  346   HG12  ILE  45          HG12      ILE  45  17.522  16.599 -19.442
  347   HG13  ILE  45          HG13      ILE  45  16.372  15.892 -18.319
  348   HG21  ILE  45          HG21      ILE  45  17.131  19.589 -18.368
  349   HG22  ILE  45          HG22      ILE  45  18.474  19.509 -17.243
  350   HG23  ILE  45          HG23      ILE  45  18.652  18.806 -18.856
  351   HD11  ILE  45          HD11      ILE  45  15.104  16.877 -20.059
  352   HD12  ILE  45          HD12      ILE  45  14.887  17.910 -18.630
  353   HD13  ILE  45          HD13      ILE  45  15.971  18.417 -19.945
  354    H    ALA  46           H        ALA  46  17.910  16.766 -14.395
  355    HA   ALA  46           HA       ALA  46  19.403  18.993 -13.425
  356    HB1  ALA  46           HB1      ALA  46  17.411  18.022 -12.305
  357    HB2  ALA  46           HB2      ALA  46  18.342  16.573 -11.899
  358    HB3  ALA  46           HB3      ALA  46  18.800  18.144 -11.206
  359    H    ILE  47           H        ILE  47  20.154  15.453 -13.160
  360    HA   ILE  47           HA       ILE  47  22.730  15.969 -11.977
  361    HB   ILE  47           HB       ILE  47  23.224  13.653 -12.213
  362   HG12  ILE  47          HG12      ILE  47  20.832  13.452 -14.056
  363   HG13  ILE  47          HG13      ILE  47  22.520  13.172 -14.471
  364   HG21  ILE  47          HG21      ILE  47  21.615  14.467 -10.467
  365   HG22  ILE  47          HG22      ILE  47  20.275  13.902 -11.491
  366   HG23  ILE  47          HG23      ILE  47  21.469  12.752 -10.866
  367   HD11  ILE  47          HD11      ILE  47  20.775  11.438 -12.688
  368   HD12  ILE  47          HD12      ILE  47  21.458  11.042 -14.272
  369   HD13  ILE  47          HD13      ILE  47  22.535  11.222 -12.873
  370    H    ALA  48           H        ALA  48  21.740  15.513 -15.439
  371    HA   ALA  48           HA       ALA  48  24.334  15.584 -16.538
  372    HB1  ALA  48           HB1      ALA  48  22.344  15.000 -17.808
  373    HB2  ALA  48           HB2      ALA  48  21.656  16.619 -17.570
  374    HB3  ALA  48           HB3      ALA  48  23.115  16.405 -18.570
  375    H    LYS  49           H        LYS  49  22.138  18.390 -15.848
  376    HA   LYS  49           HA       LYS  49  24.031  20.380 -16.742
  377    HB2  LYS  49           HB2      LYS  49  21.582  20.498 -14.931
  378    HB3  LYS  49           HB3      LYS  49  22.468  21.932 -15.418
  379    HG2  LYS  49           HG2      LYS  49  21.181  19.987 -17.388
  380    HG3  LYS  49           HG3      LYS  49  20.392  21.428 -16.767
  381    HD2  LYS  49           HD2      LYS  49  22.945  21.392 -18.444
  382    HD3  LYS  49           HD3      LYS  49  21.312  21.710 -19.033
  383    HE2  LYS  49           HE2      LYS  49  21.167  23.670 -17.446
  384    HE3  LYS  49           HE3      LYS  49  22.869  23.409 -17.031
  385    HZ1  LYS  49           HZ1      LYS  49  23.424  23.787 -19.397
  386    HZ2  LYS  49           HZ2      LYS  49  21.850  24.030 -19.767
  387    HZ3  LYS  49           HZ3      LYS  49  22.627  25.081 -18.791
  388    H    LEU  50           H        LEU  50  23.565  18.850 -13.557
  389    HA   LEU  50           HA       LEU  50  25.543  20.592 -12.272
  390    HB2  LEU  50           HB2      LEU  50  24.005  18.113 -11.545
  391    HB3  LEU  50           HB3      LEU  50  25.462  18.486 -10.642
  392    HG   LEU  50           HG       LEU  50  24.646  20.514  -9.796
  393   HD11  LEU  50          HD11      LEU  50  23.564  21.509 -11.784
  394   HD12  LEU  50          HD12      LEU  50  22.226  20.351 -11.625
  395   HD13  LEU  50          HD13      LEU  50  22.535  21.581 -10.370
  396   HD21  LEU  50          HD21      LEU  50  23.702  18.515  -8.729
  397   HD22  LEU  50          HD22      LEU  50  22.528  19.841  -8.683
  398   HD23  LEU  50          HD23      LEU  50  22.338  18.520  -9.867
  399    H    LEU  51           H        LEU  51  25.789  17.383 -13.880
  400    HA   LEU  51           HA       LEU  51  28.590  17.112 -13.172
  401    HB2  LEU  51           HB2      LEU  51  26.761  15.659 -15.108
  402    HB3  LEU  51           HB3      LEU  51  28.459  15.240 -14.920
  403    HG   LEU  51           HG       LEU  51  26.509  15.228 -12.574
  404   HD11  LEU  51          HD11      LEU  51  25.818  13.589 -14.279
  405   HD12  LEU  51          HD12      LEU  51  27.460  12.909 -14.294
  406   HD13  LEU  51          HD13      LEU  51  26.461  12.800 -12.826
  407   HD21  LEU  51          HD21      LEU  51  29.317  14.104 -12.952
  408   HD22  LEU  51          HD22      LEU  51  28.820  15.394 -11.832
  409   HD23  LEU  51          HD23      LEU  51  28.261  13.737 -11.579
  410    H    SER  52           H        SER  52  26.986  18.424 -16.120
  411    HA   SER  52           HA       SER  52  29.295  18.406 -17.750
  412    HB2  SER  52           HB2      SER  52  28.113  19.994 -19.159
  413    HB3  SER  52           HB3      SER  52  27.008  18.739 -18.578
  414    HG   SER  52           HG       SER  52  26.162  20.917 -18.418
  415    H    LYS  53           H        LYS  53  28.409  20.715 -15.260
  416    HA   LYS  53           HA       LYS  53  30.668  22.543 -15.876
  417    HB2  LYS  53           HB2      LYS  53  28.594  22.578 -13.648
  418    HB3  LYS  53           HB3      LYS  53  29.759  23.852 -13.974
  419    HG2  LYS  53           HG2      LYS  53  27.503  22.992 -15.836
  420    HG3  LYS  53           HG3      LYS  53  27.548  24.434 -14.819
  421    HD2  LYS  53           HD2      LYS  53  29.561  25.238 -16.098
  422    HD3  LYS  53           HD3      LYS  53  29.381  23.844 -17.188
  423    HE2  LYS  53           HE2      LYS  53  27.090  24.577 -17.773
  424    HE3  LYS  53           HE3      LYS  53  27.249  25.964 -16.685
  425    HZ1  LYS  53           HZ1      LYS  53  27.734  26.588 -18.992
  426    HZ2  LYS  53           HZ2      LYS  53  29.080  26.775 -18.095
  427    HZ3  LYS  53           HZ3      LYS  53  28.938  25.492 -19.103
  428    H    GLN  54           H        GLN  54  30.475  19.646 -14.276
  429    HA   GLN  54           HA       GLN  54  32.571  20.371 -12.270
  430    HB2  GLN  54           HB2      GLN  54  30.244  19.872 -11.465
  431    HB3  GLN  54           HB3      GLN  54  30.420  18.232 -12.099
  432    HG2  GLN  54           HG2      GLN  54  32.318  17.860 -10.504
  433    HG3  GLN  54           HG3      GLN  54  32.116  19.513  -9.903
  434   HE21  GLN  54          HE22      GLN  54  30.568  16.279 -10.098
  435   HE22  GLN  54          HE21      GLN  54  29.330  16.639  -8.893
  436    H    THR  55           H        THR  55  31.743  18.033 -14.744
  437    HA   THR  55           HA       THR  55  33.629  16.015 -14.400
  438    HB   THR  55           HB       THR  55  31.850  16.052 -16.064
  439    HG1  THR  55           HG1      THR  55  33.027  15.142 -17.756
  440   HG21  THR  55          HG21      THR  55  31.936  17.327 -18.108
  441   HG22  THR  55          HG22      THR  55  32.119  18.476 -16.773
  442   HG23  THR  55          HG23      THR  55  33.535  17.992 -17.711
  443    H    SER  56           H        SER  56  34.268  19.314 -15.515
  444    HA   SER  56           HA       SER  56  37.003  18.869 -16.405
  445    HB2  SER  56           HB2      SER  56  36.989  21.349 -16.540
  446    HB3  SER  56           HB3      SER  56  35.568  20.634 -17.321
  447    HG   SER  56           HG       SER  56  34.972  22.382 -15.941
  448    H    GLY  57           H        GLY  57  35.709  18.922 -13.290
  449    HA2  GLY  57           HA2      GLY  57  36.807  19.009 -11.216
  450    HA3  GLY  57           HA3      GLY  57  38.207  19.793 -11.957
  451    H    GLY  58           H        GLY  58  35.736  21.526 -13.246
  452    HA2  GLY  58           HA2      GLY  58  34.604  23.479 -12.784
  453    HA3  GLY  58           HA3      GLY  58  34.654  23.055 -11.077
  454    H    SER  59           H        SER  59  34.882  25.319 -10.693
  455    HA   SER  59           HA       SER  59  37.693  26.203 -10.549
  456    HB2  SER  59           HB2      SER  59  37.198  28.439 -11.401
  457    HB3  SER  59           HB3      SER  59  36.915  27.205 -12.639
  458    HG   SER  59           HG       SER  59  35.205  28.751 -12.556
  459    H    GLY  60           H        GLY  60  38.016  28.008  -9.055
  460    HA2  GLY  60           HA2      GLY  60  37.696  29.118  -7.045
  461    HA3  GLY  60           HA3      GLY  60  35.962  28.842  -7.193
  462    H    GLY  61           H        GLY  61  36.033  28.516  -4.872
  463    HA2  GLY  61           HA2      GLY  61  37.450  26.346  -3.602
  464    HA3  GLY  61           HA3      GLY  61  36.126  27.280  -2.915
  465    H    SER  62           H        SER  62  36.562  24.476  -2.583
  466    HA   SER  62           HA       SER  62  34.720  22.972  -4.268
  467    HB2  SER  62           HB2      SER  62  35.343  21.096  -2.787
  468    HB3  SER  62           HB3      SER  62  36.748  21.947  -3.458
  469    HG   SER  62           HG       SER  62  36.975  21.539  -1.191
  470    H    LYS  63           H        LYS  63  34.234  24.870  -1.457
  471    HA   LYS  63           HA       LYS  63  32.154  23.407  -0.149
  472    HB2  LYS  63           HB2      LYS  63  33.480  25.180   0.884
  473    HB3  LYS  63           HB3      LYS  63  32.778  26.397  -0.172
  474    HG2  LYS  63           HG2      LYS  63  30.908  24.737   1.531
  475    HG3  LYS  63           HG3      LYS  63  31.944  25.916   2.332
  476    HD2  LYS  63           HD2      LYS  63  31.047  27.746   0.952
  477    HD3  LYS  63           HD3      LYS  63  30.056  26.609   0.044
  478    HE2  LYS  63           HE2      LYS  63  28.617  27.664   1.610
  479    HE3  LYS  63           HE3      LYS  63  28.841  25.999   2.151
  480    HZ1  LYS  63           HZ1      LYS  63  30.436  26.824   3.819
  481    HZ2  LYS  63           HZ2      LYS  63  30.285  28.364   3.273
  482    HZ3  LYS  63           HZ3      LYS  63  29.023  27.619   3.983
  483    H    LEU  64           H        LEU  64  30.015  23.251  -0.436
  484    HA   LEU  64           HA       LEU  64  28.841  24.314  -2.948
  485    HB2  LEU  64           HB2      LEU  64  27.849  22.181  -1.019
  486    HB3  LEU  64           HB3      LEU  64  27.081  22.622  -2.540
  487    HG   LEU  64           HG       LEU  64  29.855  21.372  -2.274
  488   HD11  LEU  64          HD11      LEU  64  27.220  20.205  -3.243
  489   HD12  LEU  64          HD12      LEU  64  28.792  19.381  -3.223
  490   HD13  LEU  64          HD13      LEU  64  28.023  19.832  -1.696
  491   HD21  LEU  64          HD21      LEU  64  29.665  21.048  -4.736
  492   HD22  LEU  64          HD22      LEU  64  28.181  22.023  -4.741
  493   HD23  LEU  64          HD23      LEU  64  29.744  22.755  -4.299
  494    H    GLY  65           H        GLY  65  26.868  25.396  -3.069
  495    HA2  GLY  65           HA2      GLY  65  26.283  27.272  -0.957
  496    HA3  GLY  65           HA3      GLY  65  25.374  27.053  -2.451
  497    H    GLY  66           H        GLY  66  24.715  27.302   0.575
  498    HA2  GLY  66           HA2      GLY  66  22.225  26.136   0.705
  499    HA3  GLY  66           HA3      GLY  66  23.299  24.852   1.269
  500    H    SER  67           H        SER  67  21.705  25.301   3.069
  501    HA   SER  67           HA       SER  67  22.999  26.972   5.175
  502    HB2  SER  67           HB2      SER  67  20.769  27.621   6.000
  503    HB3  SER  67           HB3      SER  67  21.091  28.235   4.373
  504    HG   SER  67           HG       SER  67  18.968  27.280   4.650
  505    H    GLY  68           H        GLY  68  21.848  23.869   4.296
  506    HA2  GLY  68           HA2      GLY  68  22.244  21.917   5.518
  507    HA3  GLY  68           HA3      GLY  68  22.503  22.851   6.980
  508    H    GLY  69           H        GLY  69  21.000  22.524   8.499
  509    HA2  GLY  69           HA2      GLY  69  18.944  22.212   9.534
  510    HA3  GLY  69           HA3      GLY  69  18.124  22.273   7.978
  511    H    SER  70           H        SER  70  17.223  20.500   9.773
  512    HA   SER  70           HA       SER  70  18.570  17.929   9.680
  513    HB2  SER  70           HB2      SER  70  16.753  17.207  11.147
  514    HB3  SER  70           HB3      SER  70  17.440  18.752  11.678
  515    HG   SER  70           HG       SER  70  15.155  18.854  11.696
  516    H    ARG  71           H        ARG  71  15.918  19.335   7.871
  517    HA   ARG  71           HA       ARG  71  14.638  18.616   6.103
  518    HB2  ARG  71           HB2      ARG  71  17.156  16.994   5.660
  519    HB3  ARG  71           HB3      ARG  71  15.892  17.142   4.456
  520    HG2  ARG  71           HG2      ARG  71  16.252  19.398   4.053
  521    HG3  ARG  71           HG3      ARG  71  17.023  19.694   5.610
  522    HD2  ARG  71           HD2      ARG  71  18.275  18.008   3.414
  523    HD3  ARG  71           HD3      ARG  71  18.592  19.730   3.652
  524    HE   ARG  71           HE       ARG  71  19.449  19.251   5.901
  525   HH11  ARG  71          HH11      ARG  71  19.405  16.404   3.791
  526   HH12  ARG  71          HH12      ARG  71  20.526  15.568   4.835
  527   HH21  ARG  71          HH21      ARG  71  20.703  18.108   7.165
  528   HH22  ARG  71          HH22      ARG  71  21.293  16.527   6.699
  529    H    LYS  72           H        LYS  72  13.924  17.386   8.493
  530    HA   LYS  72           HA       LYS  72  13.118  14.597   7.809
  531    HB2  LYS  72           HB2      LYS  72  12.725  16.155  10.394
  532    HB3  LYS  72           HB3      LYS  72  12.446  14.433  10.160
  533    HG2  LYS  72           HG2      LYS  72  15.129  15.848  10.094
  534    HG3  LYS  72           HG3      LYS  72  14.507  14.800  11.359
  535    HD2  LYS  72           HD2      LYS  72  14.497  12.879   9.766
  536    HD3  LYS  72           HD3      LYS  72  15.206  13.931   8.517
  537    HE2  LYS  72           HE2      LYS  72  17.160  14.369   9.970
  538    HE3  LYS  72           HE3      LYS  72  16.456  13.370  11.244
  539    HZ1  LYS  72           HZ1      LYS  72  17.268  12.367   8.556
  540    HZ2  LYS  72           HZ2      LYS  72  18.086  12.117   9.943
  541    HZ3  LYS  72           HZ3      LYS  72  16.615  11.444   9.741
  542    H    ASP  73           H        ASP  73  11.775  17.457   7.063
  543    HA   ASP  73           HA       ASP  73   9.113  17.191   8.083
  544    HB2  ASP  73           HB2      ASP  73  10.256  19.077   6.004
  545    HB3  ASP  73           HB3      ASP  73   8.689  19.248   6.799
  546    H    LEU  74           H        LEU  74   9.613  14.837   6.638
  547    HA   LEU  74           HA       LEU  74   8.341  14.840   4.033
  548    HB2  LEU  74           HB2      LEU  74   8.995  12.620   6.018
  549    HB3  LEU  74           HB3      LEU  74   8.214  12.329   4.481
  550    HG   LEU  74           HG       LEU  74  10.498  11.744   4.293
  551   HD11  LEU  74          HD11      LEU  74   9.414  12.814   2.317
  552   HD12  LEU  74          HD12      LEU  74  10.150  14.365   2.793
  553   HD13  LEU  74          HD13      LEU  74  11.181  12.989   2.347
  554   HD21  LEU  74          HD21      LEU  74  12.380  13.227   4.543
  555   HD22  LEU  74          HD22      LEU  74  11.333  14.599   4.938
  556   HD23  LEU  74          HD23      LEU  74  11.460  13.214   6.055
  557    H    SER  75           H        SER  75   6.270  14.279   3.436
  558    HA   SER  75           HA       SER  75   4.179  14.735   5.464
  559    HB2  SER  75           HB2      SER  75   4.000  15.943   3.389
  560    HB3  SER  75           HB3      SER  75   4.041  14.437   2.449
  561    HG   SER  75           HG       SER  75   1.886  15.436   2.997
  562    H    VAL  76           H        VAL  76   2.550  13.358   6.021
  563    HA   VAL  76           HA       VAL  76   2.869  10.507   5.915
  564    HB   VAL  76           HB       VAL  76   1.637  11.824   7.642
  565   HG11  VAL  76          HG11      VAL  76  -0.661  11.903   5.639
  566   HG12  VAL  76          HG12      VAL  76  -0.687  12.445   7.326
  567   HG13  VAL  76          HG13      VAL  76   0.303  13.310   6.142
  568   HG21  VAL  76          HG21      VAL  76   1.395   9.368   7.467
  569   HG22  VAL  76          HG22      VAL  76  -0.046  10.171   8.116
  570   HG23  VAL  76          HG23      VAL  76  -0.039   9.595   6.440
  571    H    LYS  77           H        LYS  77   1.537  12.745   3.601
  572    HA   LYS  77           HA       LYS  77  -0.019  10.765   2.090
  573    HB2  LYS  77           HB2      LYS  77   0.909  13.565   1.328
  574    HB3  LYS  77           HB3      LYS  77  -0.288  12.606   0.468
  575    HG2  LYS  77           HG2      LYS  77  -0.597  13.703   3.297
  576    HG3  LYS  77           HG3      LYS  77  -1.334  14.338   1.825
  577    HD2  LYS  77           HD2      LYS  77  -2.562  12.174   1.527
  578    HD3  LYS  77           HD3      LYS  77  -1.895  11.615   3.078
  579    HE2  LYS  77           HE2      LYS  77  -2.943  13.541   4.234
  580    HE3  LYS  77           HE3      LYS  77  -3.586  14.129   2.697
  581    HZ1  LYS  77           HZ1      LYS  77  -4.317  11.528   3.957
  582    HZ2  LYS  77           HZ2      LYS  77  -5.258  12.858   3.924
  583    HZ3  LYS  77           HZ3      LYS  77  -4.910  12.078   2.535
  584    H    GLY  78           H        GLY  78   3.322  11.171   2.348
  585    HA2  GLY  78           HA2      GLY  78   4.206  10.811  -0.352
  586    HA3  GLY  78           HA3      GLY  78   5.102  10.374   1.104
  587    H    MET  79           H        MET  79   4.150   9.077  -1.674
  588    HA   MET  79           HA       MET  79   3.902   6.310  -0.691
  589    HB2  MET  79           HB2      MET  79   1.783   5.898  -1.828
  590    HB3  MET  79           HB3      MET  79   1.584   7.157  -0.619
  591    HG2  MET  79           HG2      MET  79   1.675   8.890  -2.385
  592    HG3  MET  79           HG3      MET  79   1.905   7.636  -3.613
  593    HE1  MET  79           HE1      MET  79  -0.070   8.618  -5.035
  594    HE2  MET  79           HE2      MET  79  -1.687   8.966  -4.384
  595    HE3  MET  79           HE3      MET  79  -0.285   9.899  -3.818
  596    H    LEU  80           H        LEU  80   3.664   4.747  -2.581
  597    HA   LEU  80           HA       LEU  80   5.755   5.104  -4.482
  598    HB2  LEU  80           HB2      LEU  80   5.048   2.915  -3.680
  599    HB3  LEU  80           HB3      LEU  80   3.433   3.157  -4.352
  600    HG   LEU  80           HG       LEU  80   4.372   3.129  -6.652
  601   HD11  LEU  80          HD11      LEU  80   7.004   2.396  -5.295
  602   HD12  LEU  80          HD12      LEU  80   6.671   2.325  -7.037
  603   HD13  LEU  80          HD13      LEU  80   6.693   3.884  -6.213
  604   HD21  LEU  80          HD21      LEU  80   5.128   0.728  -4.942
  605   HD22  LEU  80          HD22      LEU  80   3.524   1.073  -5.620
  606   HD23  LEU  80          HD23      LEU  80   4.878   0.723  -6.704
  607    H    TYR  81           H        TYR  81   5.826   5.936  -6.474
  608    HA   TYR  81           HA       TYR  81   3.319   6.424  -8.001
  609    HB2  TYR  81           HB2      TYR  81   4.146   8.522  -6.842
  610    HB3  TYR  81           HB3      TYR  81   5.600   8.428  -7.824
  611    HD1  TYR  81           HD1      TYR  81   1.870   8.683  -7.949
  612    HD2  TYR  81           HD2      TYR  81   5.573   9.272 -10.088
  613    HE1  TYR  81           HE1      TYR  81   0.626   9.830  -9.770
  614    HE2  TYR  81           HE2      TYR  81   4.305  10.414 -11.928
  615    HH   TYR  81           HH       TYR  81   0.762  10.893 -11.806
  616    H    ASP  82           H        ASP  82   3.538   6.410 -10.295
  617    HA   ASP  82           HA       ASP  82   5.280   4.281 -11.098
  618    HB2  ASP  82           HB2      ASP  82   2.949   4.600 -11.871
  619    HB3  ASP  82           HB3      ASP  82   3.452   6.036 -12.769
  620    H    SER  83           H        SER  83   5.320   7.770 -11.964
  621    HA   SER  83           HA       SER  83   7.657   7.387 -13.719
  622    HB2  SER  83           HB2      SER  83   6.236   9.951 -12.952
  623    HB3  SER  83           HB3      SER  83   7.470   9.758 -14.205
  624    HG   SER  83           HG       SER  83   5.362   9.685 -15.113
  625    H    ASP  84           H        ASP  84   9.694   7.381 -13.010
  626    HA   ASP  84           HA       ASP  84  10.298   7.749 -10.284
  627    HB2  ASP  84           HB2      ASP  84  12.548   7.227 -10.836
  628    HB3  ASP  84           HB3      ASP  84  11.497   6.234 -11.829
  629    H    SER  85           H        SER  85  10.854  10.075 -12.983
  630    HA   SER  85           HA       SER  85  12.261  11.979 -11.373
  631    HB2  SER  85           HB2      SER  85  10.703  12.189 -13.951
  632    HB3  SER  85           HB3      SER  85  11.246  13.649 -13.119
  633    HG   SER  85           HG       SER  85  12.865  11.504 -14.078
  634    H    GLN  86           H        GLN  86   8.731  11.495 -11.793
  635    HA   GLN  86           HA       GLN  86   8.033  13.822 -10.174
  636    HB2  GLN  86           HB2      GLN  86   6.449  11.384 -11.049
  637    HB3  GLN  86           HB3      GLN  86   5.759  12.721 -10.136
  638    HG2  GLN  86           HG2      GLN  86   7.045  12.999 -12.895
  639    HG3  GLN  86           HG3      GLN  86   5.325  12.816 -12.600
  640   HE21  GLN  86          HE22      GLN  86   5.923  14.996 -14.038
  641   HE22  GLN  86          HE21      GLN  86   5.843  16.440 -13.038
  642    H    GLN  87           H        GLN  87   8.396  10.307  -9.458
  643    HA   GLN  87           HA       GLN  87   7.658  10.408  -6.716
  644    HB2  GLN  87           HB2      GLN  87   8.011   8.332  -8.042
  645    HB3  GLN  87           HB3      GLN  87   9.716   8.709  -8.185
  646    HG2  GLN  87           HG2      GLN  87   9.709   7.079  -6.574
  647    HG3  GLN  87           HG3      GLN  87   9.848   8.533  -5.607
  648   HE21  GLN  87          HE22      GLN  87   7.653   9.333  -4.563
  649   HE22  GLN  87          HE21      GLN  87   6.499   8.052  -4.200
  650    H    ILE  88           H        ILE  88  10.876  10.844  -8.232
  651    HA   ILE  88           HA       ILE  88  12.298  11.387  -5.776
  652    HB   ILE  88           HB       ILE  88  12.938  11.940  -8.694
  653   HG12  ILE  88          HG12      ILE  88  12.806   9.514  -7.938
  654   HG13  ILE  88          HG13      ILE  88  14.317  10.024  -8.672
  655   HG21  ILE  88          HG21      ILE  88  15.335  12.206  -7.897
  656   HG22  ILE  88          HG22      ILE  88  14.256  13.551  -7.503
  657   HG23  ILE  88          HG23      ILE  88  14.691  12.381  -6.246
  658   HD11  ILE  88          HD11      ILE  88  15.444  10.044  -6.519
  659   HD12  ILE  88          HD12      ILE  88  13.904   9.773  -5.667
  660   HD13  ILE  88          HD13      ILE  88  14.578   8.512  -6.708
  661    H    LEU  89           H        LEU  89  10.897  13.633  -8.279
  662    HA   LEU  89           HA       LEU  89  11.627  16.013  -6.926
  663    HB2  LEU  89           HB2      LEU  89  10.724  15.937  -9.257
  664    HB3  LEU  89           HB3      LEU  89   9.182  15.361  -8.648
  665    HG   LEU  89           HG       LEU  89   8.852  17.535  -7.438
  666   HD11  LEU  89          HD11      LEU  89  11.216  18.249  -7.210
  667   HD12  LEU  89          HD12      LEU  89  11.330  18.419  -8.984
  668   HD13  LEU  89          HD13      LEU  89  10.249  19.462  -8.046
  669   HD21  LEU  89          HD21      LEU  89   7.865  17.166  -9.641
  670   HD22  LEU  89          HD22      LEU  89   8.371  18.856  -9.458
  671   HD23  LEU  89          HD23      LEU  89   9.349  17.731 -10.429
  672    H    ASN  90           H        ASN  90   8.550  14.126  -6.547
  673    HA   ASN  90           HA       ASN  90   7.429  15.824  -4.601
  674    HB2  ASN  90           HB2      ASN  90   6.270  14.010  -5.876
  675    HB3  ASN  90           HB3      ASN  90   7.102  12.794  -4.909
  676   HD21  ASN  90          HD22      ASN  90   4.603  12.324  -4.726
  677   HD22  ASN  90          HD21      ASN  90   3.833  13.068  -3.333
  678    H    ARG  91           H        ARG  91   9.422  12.813  -3.968
  679    HA   ARG  91           HA       ARG  91   9.405  13.361  -1.135
  680    HB2  ARG  91           HB2      ARG  91   9.817  11.112  -2.247
  681    HB3  ARG  91           HB3      ARG  91  11.483  11.635  -2.546
  682    HG2  ARG  91           HG2      ARG  91  11.769  12.026  -0.076
  683    HG3  ARG  91           HG3      ARG  91  10.089  11.550   0.180
  684    HD2  ARG  91           HD2      ARG  91  10.696   9.274  -0.794
  685    HD3  ARG  91           HD3      ARG  91  12.379   9.802  -0.770
  686    HE   ARG  91           HE       ARG  91  12.436   9.688   1.565
  687   HH11  ARG  91          HH11      ARG  91   9.107   9.056   0.567
  688   HH12  ARG  91          HH12      ARG  91   8.712   8.374   2.132
  689   HH21  ARG  91          HH21      ARG  91  11.766   8.888   3.553
  690   HH22  ARG  91          HH22      ARG  91  10.115   8.345   3.735
  691    H    LEU  92           H        LEU  92  11.671  14.479  -3.664
  692    HA   LEU  92           HA       LEU  92  13.577  15.533  -1.755
  693    HB2  LEU  92           HB2      LEU  92  14.055  14.963  -4.140
  694    HB3  LEU  92           HB3      LEU  92  13.023  16.296  -4.648
  695    HG   LEU  92           HG       LEU  92  14.612  17.880  -3.462
  696   HD11  LEU  92          HD11      LEU  92  15.698  16.320  -1.886
  697   HD12  LEU  92          HD12      LEU  92  16.341  15.373  -3.249
  698   HD13  LEU  92          HD13      LEU  92  16.896  17.043  -2.964
  699   HD21  LEU  92          HD21      LEU  92  16.372  17.642  -5.224
  700   HD22  LEU  92          HD22      LEU  92  15.702  16.055  -5.648
  701   HD23  LEU  92          HD23      LEU  92  14.725  17.527  -5.866
  702    H    ARG  93           H        ARG  93  10.675  16.928  -3.372
  703    HA   ARG  93           HA       ARG  93  11.012  19.609  -2.364
  704    HB2  ARG  93           HB2      ARG  93   9.507  18.877  -4.278
  705    HB3  ARG  93           HB3      ARG  93   8.428  18.152  -3.082
  706    HG2  ARG  93           HG2      ARG  93   8.323  20.534  -2.008
  707    HG3  ARG  93           HG3      ARG  93   9.141  21.088  -3.472
  708    HD2  ARG  93           HD2      ARG  93   6.810  21.435  -3.811
  709    HD3  ARG  93           HD3      ARG  93   7.240  20.023  -4.797
  710    HE   ARG  93           HE       ARG  93   6.346  19.234  -2.134
  711   HH11  ARG  93          HH11      ARG  93   4.921  20.314  -5.167
  712   HH12  ARG  93          HH12      ARG  93   3.394  19.569  -4.775
  713   HH21  ARG  93          HH21      ARG  93   4.553  18.403  -1.719
  714   HH22  ARG  93          HH22      ARG  93   3.157  18.468  -2.808
  715    H    GLU  94           H        GLU  94   9.123  16.798  -1.040
  716    HA   GLU  94           HA       GLU  94   8.363  18.299   1.314
  717    HB2  GLU  94           HB2      GLU  94   8.568  15.287   0.988
  718    HB3  GLU  94           HB3      GLU  94   7.726  16.155   2.271
  719    HG2  GLU  94           HG2      GLU  94   7.005  16.048  -0.671
  720    HG3  GLU  94           HG3      GLU  94   6.095  15.396   0.678
  721    H    ARG  95           H        ARG  95  11.125  16.062   0.745
  722    HA   ARG  95           HA       ARG  95  12.263  16.129   3.344
  723    HB2  ARG  95           HB2      ARG  95  12.879  14.621   1.491
  724    HB3  ARG  95           HB3      ARG  95  13.566  15.970   0.589
  725    HG2  ARG  95           HG2      ARG  95  15.296  16.224   2.412
  726    HG3  ARG  95           HG3      ARG  95  14.603  14.783   3.199
  727    HD2  ARG  95           HD2      ARG  95  14.962  13.567   0.959
  728    HD3  ARG  95           HD3      ARG  95  15.837  14.994   0.412
  729    HE   ARG  95           HE       ARG  95  17.548  14.626   2.062
  730   HH11  ARG  95          HH22      ARG  95  15.258  11.956   2.179
  731   HH12  ARG  95          HH21      ARG  95  16.514  10.784   2.529
  732   HH21  ARG  95          HH11      ARG  95  19.072  13.079   2.427
  733   HH22  ARG  95          HH12      ARG  95  18.570  11.435   2.830
  734    H    VAL  96           H        VAL  96  12.907  18.386   0.613
  735    HA   VAL  96           HA       VAL  96  14.743  19.937   2.315
  736    HB   VAL  96           HB       VAL  96  13.971  20.215  -0.603
  737   HG11  VAL  96          HG11      VAL  96  16.027  21.639  -0.763
  738   HG12  VAL  96          HG12      VAL  96  14.748  22.393   0.176
  739   HG13  VAL  96          HG13      VAL  96  16.130  21.639   1.015
  740   HG21  VAL  96          HG21      VAL  96  16.467  19.100   0.772
  741   HG22  VAL  96          HG22      VAL  96  15.255  18.152  -0.118
  742   HG23  VAL  96          HG23      VAL  96  16.268  19.306  -0.978
  743    H    SER  97           H        SER  97  11.492  20.399   0.949
  744    HA   SER  97           HA       SER  97  11.346  23.107   2.205
  745    HB2  SER  97           HB2      SER  97  10.046  22.204  -0.382
  746    HB3  SER  97           HB3      SER  97  10.039  23.831   0.322
  747    HG   SER  97           HG       SER  97  11.649  23.743  -1.247
  748    H    GLY  98           H        GLY  98  10.039  20.091   2.779
  749    HA2  GLY  98           HA2      GLY  98   7.253  20.510   2.847
  750    HA3  GLY  98           HA3      GLY  98   8.157  19.401   3.880
  751    H    SER  99           H        SER  99   9.706  21.779   5.063
  752    HA   SER  99           HA       SER  99   7.908  22.561   7.204
  753    HB2  SER  99           HB2      SER  99   9.834  24.102   7.767
  754    HB3  SER  99           HB3      SER  99  10.229  22.376   7.706
  755    HG   SER  99           HG       SER  99  11.783  23.670   6.565
  756    H    THR 100           H        THR 100   9.471  24.378   4.526
  757    HA   THR 100           HA       THR 100   8.101  26.814   4.735
  758    HB   THR 100           HB       THR 100   8.927  25.523   2.111
  759    HG1  THR 100           HG1      THR 100  10.586  26.921   3.955
  760   HG21  THR 100          HG21      THR 100   7.854  27.700   1.820
  761   HG22  THR 100          HG22      THR 100   8.913  28.422   3.056
  762   HG23  THR 100          HG23      THR 100   9.589  27.845   1.510
  763    H    ALA 101           H        ALA 101   7.089  23.864   2.982
  764    HA   ALA 101           HA       ALA 101   4.727  24.928   1.796
  765    HB1  ALA 101           HB1      ALA 101   4.175  22.562   1.431
  766    HB2  ALA 101           HB2      ALA 101   5.899  22.838   1.117
  767    HB3  ALA 101           HB3      ALA 101   5.378  22.068   2.638
  768    H    GLN 102           H        GLN 102   5.306  24.311   5.123
  769    HA   GLN 102           HA       GLN 102   2.382  24.251   5.773
  770    HB2  GLN 102           HB2      GLN 102   4.777  23.104   7.257
  771    HB3  GLN 102           HB3      GLN 102   3.144  23.209   7.927
  772    HG2  GLN 102           HG2      GLN 102   2.250  21.774   6.156
  773    HG3  GLN 102           HG3      GLN 102   3.830  21.692   5.372
  774   HE21  GLN 102          HE22      GLN 102   5.574  20.545   6.449
  775   HE22  GLN 102          HE21      GLN 102   5.195  19.328   7.676
  776    H    SER 103           H        SER 103   4.888  26.445   5.637
  777    HA   SER 103           HA       SER 103   4.641  27.841   8.123
  778    HB2  SER 103           HB2      SER 103   5.406  28.865   5.362
  779    HB3  SER 103           HB3      SER 103   5.638  29.744   6.883
  780    HG   SER 103           HG       SER 103   7.077  28.134   7.576
  781    H    ALA 104           H        ALA 104   3.509  29.683   8.704
  782    HA   ALA 104           HA       ALA 104   0.832  30.032   7.649
  783    HB1  ALA 104           HB1      ALA 104   2.380  31.606   9.751
  784    HB2  ALA 104           HB2      ALA 104   0.636  31.705   9.437
  785    HB3  ALA 104           HB3      ALA 104   1.335  30.197  10.053
  Start of MODEL   16
    1    H1   SER   1           H1       SER   1  -5.171   1.931  11.082
    2    H2   SER   1           H2       SER   1  -5.165   3.340  11.909
    3    H3   SER   1           H3       SER   1  -3.747   2.637  11.500
    4    HA   SER   1           HA       SER   1  -4.227   2.333  13.845
    5    HB2  SER   1           HB2      SER   1  -6.112   0.794  14.463
    6    HB3  SER   1           HB3      SER   1  -6.612   2.375  13.842
    7    HG   SER   1           HG       SER   1  -7.818   0.705  12.858
    8    H    VAL   2           H        VAL   2  -5.325  -0.582  12.039
    9    HA   VAL   2           HA       VAL   2  -3.063  -2.131  13.070
   10    HB   VAL   2           HB       VAL   2  -4.042  -4.019  11.855
   11   HG11  VAL   2          HG11      VAL   2  -6.065  -4.225  13.183
   12   HG12  VAL   2          HG12      VAL   2  -4.794  -3.450  14.142
   13   HG13  VAL   2          HG13      VAL   2  -6.116  -2.475  13.465
   14   HG21  VAL   2          HG21      VAL   2  -5.023  -2.847   9.897
   15   HG22  VAL   2          HG22      VAL   2  -6.203  -3.862  10.735
   16   HG23  VAL   2          HG23      VAL   2  -6.243  -2.104  10.955
   17    H    SER   3           H        SER   3  -1.563  -3.369  11.807
   18    HA   SER   3           HA       SER   3  -0.192  -1.864   9.807
   19    HB2  SER   3           HB2      SER   3   0.101  -4.801  10.546
   20    HB3  SER   3           HB3      SER   3   1.268  -3.827   9.635
   21    HG   SER   3           HG       SER   3   1.796  -3.957  11.886
   22    H    ILE   4           H        ILE   4   0.115  -2.175   7.618
   23    HA   ILE   4           HA       ILE   4  -2.191  -3.298   6.211
   24    HB   ILE   4           HB       ILE   4  -1.596  -2.055   4.344
   25   HG12  ILE   4          HG12      ILE   4   0.748  -2.395   4.044
   26   HG13  ILE   4          HG13      ILE   4   0.383  -0.687   4.045
   27   HG21  ILE   4          HG21      ILE   4  -2.621  -0.826   6.191
   28   HG22  ILE   4          HG22      ILE   4  -1.025  -0.300   6.759
   29   HG23  ILE   4          HG23      ILE   4  -1.618   0.212   5.169
   30   HD11  ILE   4          HD11      ILE   4   2.473  -1.079   5.192
   31   HD12  ILE   4          HD12      ILE   4   1.290  -0.502   6.375
   32   HD13  ILE   4          HD13      ILE   4   1.725  -2.230   6.306
   33    H    LEU   5           H        LEU   5   0.552  -4.817   7.100
   34    HA   LEU   5           HA       LEU   5   1.866  -6.489   6.354
   35    HB2  LEU   5           HB2      LEU   5  -0.396  -7.522   6.629
   36    HB3  LEU   5           HB3      LEU   5  -0.646  -7.369   4.896
   37    HG   LEU   5           HG       LEU   5   1.246  -8.936   4.479
   38   HD11  LEU   5          HD11      LEU   5   2.678  -8.549   6.429
   39   HD12  LEU   5          HD12      LEU   5   1.393  -9.128   7.518
   40   HD13  LEU   5          HD13      LEU   5   2.188 -10.239   6.382
   41   HD21  LEU   5          HD21      LEU   5   0.146 -10.953   5.324
   42   HD22  LEU   5          HD22      LEU   5  -0.789  -9.984   6.488
   43   HD23  LEU   5          HD23      LEU   5  -1.056  -9.787   4.744
   44    H    ARG   6           H        ARG   6   2.680  -4.444   5.144
   45    HA   ARG   6           HA       ARG   6   3.709  -3.447   3.415
   46    HB2  ARG   6           HB2      ARG   6   5.534  -4.711   2.517
   47    HB3  ARG   6           HB3      ARG   6   5.275  -4.974   4.218
   48    HG2  ARG   6           HG2      ARG   6   5.974  -7.003   3.336
   49    HG3  ARG   6           HG3      ARG   6   4.285  -7.231   3.721
   50    HD2  ARG   6           HD2      ARG   6   5.230  -6.539   0.906
   51    HD3  ARG   6           HD3      ARG   6   5.273  -8.202   1.521
   52    HE   ARG   6           HE       ARG   6   2.684  -7.319   2.043
   53   HH11  ARG   6          HH11      ARG   6   4.540  -7.827  -0.889
   54   HH12  ARG   6          HH12      ARG   6   3.117  -8.143  -1.841
   55   HH21  ARG   6          HH21      ARG   6   0.932  -7.733   0.805
   56   HH22  ARG   6          HH22      ARG   6   1.106  -8.101  -0.891
   57    H    SER   7           H        SER   7   0.999  -4.153   2.523
   58    HA   SER   7           HA       SER   7   1.119  -4.660  -0.309
   59    HB2  SER   7           HB2      SER   7  -1.199  -3.899  -0.320
   60    HB3  SER   7           HB3      SER   7  -0.899  -5.011   1.032
   61    HG   SER   7           HG       SER   7  -2.094  -3.132   1.675
   62    H    SER   8           H        SER   8   1.627  -1.716   1.542
   63    HA   SER   8           HA       SER   8   1.237   0.125  -0.678
   64    HB2  SER   8           HB2      SER   8   2.094   1.805   0.942
   65    HB3  SER   8           HB3      SER   8   0.727   0.859   1.549
   66    HG   SER   8           HG       SER   8   2.496   1.101   3.079
   67    H    VAL   9           H        VAL   9   2.901   1.614  -1.437
   68    HA   VAL   9           HA       VAL   9   5.366   0.270  -2.245
   69    HB   VAL   9           HB       VAL   9   4.431   3.135  -2.666
   70   HG11  VAL   9          HG11      VAL   9   6.142   3.201  -4.472
   71   HG12  VAL   9          HG12      VAL   9   6.882   3.049  -2.881
   72   HG13  VAL   9          HG13      VAL   9   6.759   1.621  -3.943
   73   HG21  VAL   9          HG21      VAL   9   2.994   1.474  -3.814
   74   HG22  VAL   9          HG22      VAL   9   3.970   2.377  -4.975
   75   HG23  VAL   9          HG23      VAL   9   4.431   0.718  -4.535
   76    H    ASN  10           H        ASN  10   7.338   0.381  -1.317
   77    HA   ASN  10           HA       ASN  10   7.683   1.930   1.176
   78    HB2  ASN  10           HB2      ASN  10   8.302  -0.460   1.055
   79    HB3  ASN  10           HB3      ASN  10   9.491  -0.097  -0.202
   80   HD21  ASN  10          HD22      ASN  10  10.529  -1.374   1.886
   81   HD22  ASN  10          HD21      ASN  10  11.385  -0.266   2.947
   82    H    HIS  11           H        HIS  11   8.508   3.923   1.195
   83    HA   HIS  11           HA       HIS  11   9.780   5.033  -1.204
   84    HB2  HIS  11           HB2      HIS  11   8.767   6.259   1.358
   85    HB3  HIS  11           HB3      HIS  11   9.735   7.173   0.196
   86    HD2  HIS  11           HD2      HIS  11   6.368   5.197   0.279
   87    HE1  HIS  11           HE1      HIS  11   6.297   7.704  -3.166
   88    HE2  HIS  11           HE2      HIS  11   4.956   6.045  -1.773
   89    H    ARG  12           H        ARG  12  11.144   3.337   1.388
   90    HA   ARG  12           HA       ARG  12  13.664   4.626   1.664
   91    HB2  ARG  12           HB2      ARG  12  12.945   2.669   2.974
   92    HB3  ARG  12           HB3      ARG  12  12.964   1.671   1.517
   93    HG2  ARG  12           HG2      ARG  12  14.895   1.263   2.975
   94    HG3  ARG  12           HG3      ARG  12  15.371   1.780   1.364
   95    HD2  ARG  12           HD2      ARG  12  15.917   4.027   2.188
   96    HD3  ARG  12           HD3      ARG  12  15.304   3.613   3.799
   97    HE   ARG  12           HE       ARG  12  17.169   1.659   3.344
   98   HH11  ARG  12          HH11      ARG  12  17.524   5.195   3.242
   99   HH12  ARG  12          HH12      ARG  12  19.186   5.072   3.747
  100   HH21  ARG  12          HH21      ARG  12  19.286   1.651   3.920
  101   HH22  ARG  12          HH22      ARG  12  20.156   3.144   4.094
  102    H    GLU  13           H        GLU  13  12.388   2.720  -1.048
  103    HA   GLU  13           HA       GLU  13  14.788   2.481  -2.576
  104    HB2  GLU  13           HB2      GLU  13  12.541   1.350  -2.924
  105    HB3  GLU  13           HB3      GLU  13  11.939   2.875  -3.562
  106    HG2  GLU  13           HG2      GLU  13  12.501   1.621  -5.460
  107    HG3  GLU  13           HG3      GLU  13  13.827   2.761  -5.298
  108    H    VAL  14           H        VAL  14  12.394   5.155  -2.373
  109    HA   VAL  14           HA       VAL  14  13.724   6.811  -4.372
  110    HB   VAL  14           HB       VAL  14  11.590   7.453  -2.301
  111   HG11  VAL  14          HG11      VAL  14  11.208   9.481  -3.809
  112   HG12  VAL  14          HG12      VAL  14  12.632   9.542  -2.757
  113   HG13  VAL  14          HG13      VAL  14  12.823   9.171  -4.478
  114   HG21  VAL  14          HG21      VAL  14  10.075   7.449  -4.220
  115   HG22  VAL  14          HG22      VAL  14  11.420   7.055  -5.320
  116   HG23  VAL  14          HG23      VAL  14  10.878   5.885  -4.101
  117    H    ASP  15           H        ASP  15  13.708   6.712  -0.781
  118    HA   ASP  15           HA       ASP  15  15.460   8.918  -0.323
  119    HB2  ASP  15           HB2      ASP  15  14.167   7.912   1.445
  120    HB3  ASP  15           HB3      ASP  15  14.882   6.334   1.145
  121    H    GLU  16           H        GLU  16  16.272   5.417  -0.768
  122    HA   GLU  16           HA       GLU  16  19.116   5.784  -0.706
  123    HB2  GLU  16           HB2      GLU  16  18.044   3.626  -0.323
  124    HB3  GLU  16           HB3      GLU  16  17.408   3.604  -1.977
  125    HG2  GLU  16           HG2      GLU  16  19.647   3.503  -2.916
  126    HG3  GLU  16           HG3      GLU  16  20.382   3.754  -1.328
  127    H    ALA  17           H        ALA  17  16.797   5.809  -3.493
  128    HA   ALA  17           HA       ALA  17  18.844   6.023  -5.451
  129    HB1  ALA  17           HB1      ALA  17  15.933   6.956  -5.546
  130    HB2  ALA  17           HB2      ALA  17  17.009   6.799  -6.951
  131    HB3  ALA  17           HB3      ALA  17  16.550   5.356  -6.028
  132    H    ILE  18           H        ILE  18  17.029   8.560  -3.659
  133    HA   ILE  18           HA       ILE  18  18.292  10.813  -4.898
  134    HB   ILE  18           HB       ILE  18  16.849  10.380  -2.268
  135   HG12  ILE  18          HG12      ILE  18  16.206  12.070  -4.735
  136   HG13  ILE  18          HG13      ILE  18  15.621  10.431  -4.480
  137   HG21  ILE  18          HG21      ILE  18  18.511  12.118  -1.752
  138   HG22  ILE  18          HG22      ILE  18  18.059  13.025  -3.214
  139   HG23  ILE  18          HG23      ILE  18  16.922  12.833  -1.868
  140   HD11  ILE  18          HD11      ILE  18  13.846  11.918  -3.884
  141   HD12  ILE  18          HD12      ILE  18  14.468  11.215  -2.371
  142   HD13  ILE  18          HD13      ILE  18  14.890  12.883  -2.839
  143    H    ASP  19           H        ASP  19  19.212   8.980  -1.895
  144    HA   ASP  19           HA       ASP  19  21.556  10.517  -1.348
  145    HB2  ASP  19           HB2      ASP  19  20.441   8.995   0.233
  146    HB3  ASP  19           HB3      ASP  19  20.884   7.604  -0.758
  147    H    ASN  20           H        ASN  20  21.177   7.554  -3.387
  148    HA   ASN  20           HA       ASN  20  23.927   7.317  -4.085
  149    HB2  ASN  20           HB2      ASN  20  22.218   5.549  -4.388
  150    HB3  ASN  20           HB3      ASN  20  21.429   6.514  -5.633
  151   HD21  ASN  20          HD22      ASN  20  22.383   6.564  -7.773
  152   HD22  ASN  20          HD21      ASN  20  23.765   5.560  -8.151
  153    H    ILE  21           H        ILE  21  21.294   9.186  -5.681
  154    HA   ILE  21           HA       ILE  21  22.943  10.199  -7.838
  155    HB   ILE  21           HB       ILE  21  20.286  11.023  -6.625
  156   HG12  ILE  21          HG12      ILE  21  20.987  10.181  -9.470
  157   HG13  ILE  21          HG13      ILE  21  20.635   8.997  -8.208
  158   HG21  ILE  21          HG21      ILE  21  21.911  12.513  -8.728
  159   HG22  ILE  21          HG22      ILE  21  20.150  12.691  -8.584
  160   HG23  ILE  21          HG23      ILE  21  21.182  13.160  -7.244
  161   HD11  ILE  21          HD11      ILE  21  18.631   9.395  -9.506
  162   HD12  ILE  21          HD12      ILE  21  18.389   9.998  -7.854
  163   HD13  ILE  21          HD13      ILE  21  18.701  11.133  -9.180
  164    H    LEU  22           H        LEU  22  22.063  11.536  -4.631
  165    HA   LEU  22           HA       LEU  22  23.365  14.010  -4.779
  166    HB2  LEU  22           HB2      LEU  22  21.768  13.210  -3.050
  167    HB3  LEU  22           HB3      LEU  22  22.960  12.053  -2.481
  168    HG   LEU  22           HG       LEU  22  24.445  13.979  -1.843
  169   HD11  LEU  22          HD11      LEU  22  23.269  16.163  -1.529
  170   HD12  LEU  22          HD12      LEU  22  23.465  15.749  -3.233
  171   HD13  LEU  22          HD13      LEU  22  21.886  15.540  -2.458
  172   HD21  LEU  22          HD21      LEU  22  21.689  13.774  -0.561
  173   HD22  LEU  22          HD22      LEU  22  23.106  12.768  -0.198
  174   HD23  LEU  22          HD23      LEU  22  23.133  14.491   0.200
  175    H    ARG  23           H        ARG  23  24.735  10.849  -3.687
  176    HA   ARG  23           HA       ARG  23  27.429  11.890  -3.332
  177    HB2  ARG  23           HB2      ARG  23  26.329   9.062  -3.588
  178    HB3  ARG  23           HB3      ARG  23  28.017   9.444  -3.204
  179    HG2  ARG  23           HG2      ARG  23  27.332  10.642  -1.165
  180    HG3  ARG  23           HG3      ARG  23  25.634  10.363  -1.549
  181    HD2  ARG  23           HD2      ARG  23  26.223   7.838  -1.547
  182    HD3  ARG  23           HD3      ARG  23  27.708   8.314  -0.714
  183    HE   ARG  23           HE       ARG  23  24.920   8.367   0.252
  184   HH11  ARG  23          HH21      ARG  23  28.208   9.270   1.165
  185   HH12  ARG  23          HH22      ARG  23  27.693   9.747   2.758
  186   HH21  ARG  23          HH11      ARG  23  24.338   9.221   2.081
  187   HH22  ARG  23          HH12      ARG  23  25.515   9.651   3.318
  188    H    TYR  24           H        TYR  24  25.909  10.028  -6.035
  189    HA   TYR  24           HA       TYR  24  28.212   9.803  -7.662
  190    HB2  TYR  24           HB2      TYR  24  26.177   8.552  -8.058
  191    HB3  TYR  24           HB3      TYR  24  25.255  10.032  -8.301
  192    HD1  TYR  24           HD2      TYR  24  28.239   8.228  -9.734
  193    HD2  TYR  24           HD1      TYR  24  24.795  10.719 -10.494
  194    HE1  TYR  24           HE2      TYR  24  28.675   8.097 -12.187
  195    HE2  TYR  24           HE1      TYR  24  25.216  10.559 -12.938
  196    HH   TYR  24           HH       TYR  24  26.569   9.704 -14.600
  197    H    THR  25           H        THR  25  25.871  12.500  -7.440
  198    HA   THR  25           HA       THR  25  27.248  14.070  -9.503
  199    HB   THR  25           HB       THR  25  25.636  15.835  -8.897
  200    HG1  THR  25           HG1      THR  25  24.399  13.919  -7.241
  201   HG21  THR  25          HG21      THR  25  24.976  14.263 -10.635
  202   HG22  THR  25          HG22      THR  25  24.346  13.135  -9.415
  203   HG23  THR  25          HG23      THR  25  23.584  14.721  -9.634
  204    H    ASN  26           H        ASN  26  28.068  13.525  -6.270
  205    HA   ASN  26           HA       ASN  26  29.256  14.630  -4.706
  206    HB2  ASN  26           HB2      ASN  26  30.922  14.395  -6.515
  207    HB3  ASN  26           HB3      ASN  26  30.488  15.975  -7.143
  208   HD21  ASN  26          HD22      ASN  26  31.980  17.480  -6.620
  209   HD22  ASN  26          HD21      ASN  26  32.907  17.494  -5.118
  210    H    SER  27           H        SER  27  26.686  15.631  -5.001
  211    HA   SER  27           HA       SER  27  26.931  18.615  -4.783
  212    HB2  SER  27           HB2      SER  27  24.689  18.739  -5.619
  213    HB3  SER  27           HB3      SER  27  25.652  17.738  -6.711
  214    HG   SER  27           HG       SER  27  24.492  16.025  -6.185
  215    H    THR  28           H        THR  28  25.069  19.637  -3.567
  216    HA   THR  28           HA       THR  28  24.366  18.096  -1.095
  217    HB   THR  28           HB       THR  28  25.690  20.014  -0.512
  218    HG1  THR  28           HG1      THR  28  24.258  20.733   1.036
  219   HG21  THR  28          HG21      THR  28  25.174  21.642  -2.255
  220   HG22  THR  28          HG22      THR  28  23.474  21.718  -1.738
  221   HG23  THR  28          HG23      THR  28  24.770  22.308  -0.677
  222    H    GLU  29           H        GLU  29  22.167  18.337  -0.272
  223    HA   GLU  29           HA       GLU  29  20.393  17.650  -2.387
  224    HB2  GLU  29           HB2      GLU  29  19.739  18.351   0.501
  225    HB3  GLU  29           HB3      GLU  29  18.662  17.527  -0.637
  226    HG2  GLU  29           HG2      GLU  29  20.214  15.663  -0.844
  227    HG3  GLU  29           HG3      GLU  29  21.349  16.428   0.274
  228    H    GLN  30           H        GLN  30  20.871  20.810  -0.844
  229    HA   GLN  30           HA       GLN  30  18.524  22.091  -1.919
  230    HB2  GLN  30           HB2      GLN  30  21.268  23.189  -1.165
  231    HB3  GLN  30           HB3      GLN  30  19.871  24.184  -1.603
  232    HG2  GLN  30           HG2      GLN  30  18.581  23.246   0.294
  233    HG3  GLN  30           HG3      GLN  30  19.961  22.252   0.760
  234   HE21  GLN  30          HE22      GLN  30  19.229  23.671   2.819
  235   HE22  GLN  30          HE21      GLN  30  20.179  25.138   3.005
  236    H    GLN  31           H        GLN  31  21.752  21.459  -3.359
  237    HA   GLN  31           HA       GLN  31  21.300  23.050  -5.768
  238    HB2  GLN  31           HB2      GLN  31  23.180  20.723  -5.183
  239    HB3  GLN  31           HB3      GLN  31  23.194  21.661  -6.671
  240    HG2  GLN  31           HG2      GLN  31  23.864  23.666  -5.548
  241    HG3  GLN  31           HG3      GLN  31  23.651  22.955  -3.953
  242   HE21  GLN  31          HE22      GLN  31  26.148  24.133  -5.145
  243   HE22  GLN  31          HE21      GLN  31  27.312  22.824  -5.042
  244    H    PHE  32           H        PHE  32  20.893  19.580  -4.878
  245    HA   PHE  32           HA       PHE  32  20.003  18.748  -7.471
  246    HB2  PHE  32           HB2      PHE  32  20.941  17.284  -5.720
  247    HB3  PHE  32           HB3      PHE  32  19.520  17.558  -4.720
  248    HD1  PHE  32           HD1      PHE  32  18.820  17.054  -8.331
  249    HD2  PHE  32           HD2      PHE  32  19.560  15.064  -4.570
  250    HE1  PHE  32           HE1      PHE  32  17.725  15.026  -9.191
  251    HE2  PHE  32           HE2      PHE  32  18.477  13.013  -5.468
  252    HZ   PHE  32           HZ       PHE  32  17.511  13.006  -7.751
  253    H    LEU  33           H        LEU  33  18.117  19.855  -4.573
  254    HA   LEU  33           HA       LEU  33  15.557  19.630  -5.806
  255    HB2  LEU  33           HB2      LEU  33  15.941  19.851  -3.410
  256    HB3  LEU  33           HB3      LEU  33  16.576  21.468  -3.604
  257    HG   LEU  33           HG       LEU  33  14.260  21.251  -2.643
  258   HD11  LEU  33          HD11      LEU  33  14.219  22.936  -5.166
  259   HD12  LEU  33          HD12      LEU  33  13.344  23.175  -3.652
  260   HD13  LEU  33          HD13      LEU  33  15.098  23.372  -3.684
  261   HD21  LEU  33          HD21      LEU  33  12.355  20.914  -4.116
  262   HD22  LEU  33          HD22      LEU  33  13.410  20.603  -5.499
  263   HD23  LEU  33          HD23      LEU  33  13.384  19.467  -4.129
  264    H    GLU  34           H        GLU  34  17.771  22.454  -5.686
  265    HA   GLU  34           HA       GLU  34  16.078  24.192  -7.172
  266    HB2  GLU  34           HB2      GLU  34  18.032  24.900  -5.817
  267    HB3  GLU  34           HB3      GLU  34  19.120  24.158  -7.001
  268    HG2  GLU  34           HG2      GLU  34  18.321  25.716  -8.734
  269    HG3  GLU  34           HG3      GLU  34  17.151  26.403  -7.607
  270    H    ALA  35           H        ALA  35  18.602  21.932  -8.334
  271    HA   ALA  35           HA       ALA  35  18.269  22.543 -11.110
  272    HB1  ALA  35           HB1      ALA  35  19.243  19.995  -9.736
  273    HB2  ALA  35           HB2      ALA  35  19.447  20.398 -11.457
  274    HB3  ALA  35           HB3      ALA  35  20.225  21.398 -10.221
  275    H    MET  36           H        MET  36  16.689  19.972  -9.074
  276    HA   MET  36           HA       MET  36  15.102  18.940 -11.241
  277    HB2  MET  36           HB2      MET  36  14.843  18.845  -8.211
  278    HB3  MET  36           HB3      MET  36  13.673  18.064  -9.287
  279    HG2  MET  36           HG2      MET  36  16.638  17.517  -9.499
  280    HG3  MET  36           HG3      MET  36  15.580  16.588  -8.435
  281    HE1  MET  36           HE1      MET  36  13.455  14.392 -10.675
  282    HE2  MET  36           HE2      MET  36  14.335  14.515  -9.139
  283    HE3  MET  36           HE3      MET  36  13.086  15.712  -9.544
  284    H    GLU  37           H        GLU  37  14.439  21.662  -8.978
  285    HA   GLU  37           HA       GLU  37  11.776  22.151  -9.999
  286    HB2  GLU  37           HB2      GLU  37  12.639  23.030  -7.862
  287    HB3  GLU  37           HB3      GLU  37  13.793  24.051  -8.731
  288    HG2  GLU  37           HG2      GLU  37  11.949  25.300  -9.777
  289    HG3  GLU  37           HG3      GLU  37  10.767  24.203  -9.046
  290    H    SER  38           H        SER  38  15.026  23.335 -11.003
  291    HA   SER  38           HA       SER  38  14.093  25.076 -13.075
  292    HB2  SER  38           HB2      SER  38  16.320  25.142 -11.937
  293    HB3  SER  38           HB3      SER  38  16.786  23.683 -12.837
  294    HG   SER  38           HG       SER  38  17.451  25.691 -13.850
  295    H    THR  39           H        THR  39  14.724  21.565 -13.094
  296    HA   THR  39           HA       THR  39  14.477  21.476 -16.068
  297    HB   THR  39           HB       THR  39  15.205  19.191 -15.944
  298    HG1  THR  39           HG1      THR  39  15.648  18.225 -13.972
  299   HG21  THR  39          HG21      THR  39  16.983  20.846 -15.977
  300   HG22  THR  39          HG22      THR  39  16.979  20.941 -14.212
  301   HG23  THR  39          HG23      THR  39  17.447  19.435 -15.009
  302    H    GLY  40           H        GLY  40  12.293  21.416 -13.529
  303    HA2  GLY  40           HA2      GLY  40  10.055  20.850 -13.470
  304    HA3  GLY  40           HA3      GLY  40  10.146  20.334 -15.159
  305    H    GLY  41           H        GLY  41  12.163  19.031 -12.533
  306    HA2  GLY  41           HA2      GLY  41  12.122  16.998 -11.419
  307    HA3  GLY  41           HA3      GLY  41  10.579  16.590 -12.164
  308    H    ARG  42           H        ARG  42  13.044  17.489 -14.466
  309    HA   ARG  42           HA       ARG  42  13.227  14.690 -15.431
  310    HB2  ARG  42           HB2      ARG  42  14.088  17.403 -16.465
  311    HB3  ARG  42           HB3      ARG  42  14.831  15.956 -17.133
  312    HG2  ARG  42           HG2      ARG  42  11.814  16.196 -16.979
  313    HG3  ARG  42           HG3      ARG  42  12.725  16.925 -18.302
  314    HD2  ARG  42           HD2      ARG  42  13.685  14.739 -18.933
  315    HD3  ARG  42           HD3      ARG  42  12.926  13.976 -17.555
  316    HE   ARG  42           HE       ARG  42  10.890  13.915 -18.607
  317   HH11  ARG  42          HH11      ARG  42  12.855  16.088 -20.560
  318   HH12  ARG  42          HH12      ARG  42  11.664  16.134 -21.827
  319   HH21  ARG  42          HH22      ARG  42   9.449  14.038 -20.255
  320   HH22  ARG  42          HH21      ARG  42   9.794  15.000 -21.661
  321    H    VAL  43           H        VAL  43  14.237  13.656 -13.755
  322    HA   VAL  43           HA       VAL  43  16.525  14.504 -12.395
  323    HB   VAL  43           HB       VAL  43  15.022  12.692 -11.705
  324   HG11  VAL  43          HG11      VAL  43  16.586  10.866 -13.580
  325   HG12  VAL  43          HG12      VAL  43  15.329  10.398 -12.422
  326   HG13  VAL  43          HG13      VAL  43  14.897  11.384 -13.823
  327   HG21  VAL  43          HG21      VAL  43  17.196  13.044 -10.597
  328   HG22  VAL  43          HG22      VAL  43  16.675  11.349 -10.563
  329   HG23  VAL  43          HG23      VAL  43  17.950  11.864 -11.690
  330    H    ARG  44           H        ARG  44  16.529  12.706 -15.501
  331    HA   ARG  44           HA       ARG  44  19.355  12.383 -15.634
  332    HB2  ARG  44           HB2      ARG  44  19.074  11.934 -17.957
  333    HB3  ARG  44           HB3      ARG  44  17.785  11.170 -17.041
  334    HG2  ARG  44           HG2      ARG  44  16.203  13.012 -17.775
  335    HG3  ARG  44           HG3      ARG  44  17.527  13.695 -18.732
  336    HD2  ARG  44           HD2      ARG  44  17.728  11.578 -19.997
  337    HD3  ARG  44           HD3      ARG  44  16.404  10.885 -19.076
  338    HE   ARG  44           HE       ARG  44  16.263  13.125 -21.059
  339   HH11  ARG  44          HH21      ARG  44  14.454  10.747 -19.216
  340   HH12  ARG  44          HH22      ARG  44  13.006  10.998 -20.153
  341   HH21  ARG  44          HH11      ARG  44  14.401  13.351 -22.232
  342   HH22  ARG  44          HH12      ARG  44  12.990  12.416 -21.833
  343    H    ILE  45           H        ILE  45  17.390  15.191 -16.523
  344    HA   ILE  45           HA       ILE  45  19.674  16.655 -17.657
  345    HB   ILE  45           HB       ILE  45  16.927  17.717 -16.919
  346   HG12  ILE  45          HG12      ILE  45  17.987  16.681 -19.588
  347   HG13  ILE  45          HG13      ILE  45  16.747  15.912 -18.599
  348   HG21  ILE  45          HG21      ILE  45  18.757  19.463 -17.167
  349   HG22  ILE  45          HG22      ILE  45  19.076  18.838 -18.796
  350   HG23  ILE  45          HG23      ILE  45  17.525  19.606 -18.399
  351   HD11  ILE  45          HD11      ILE  45  15.627  17.006 -20.384
  352   HD12  ILE  45          HD12      ILE  45  15.289  17.946 -18.911
  353   HD13  ILE  45          HD13      ILE  45  16.476  18.531 -20.105
  354    H    ALA  46           H        ALA  46  17.964  16.484 -14.514
  355    HA   ALA  46           HA       ALA  46  19.331  18.701 -13.331
  356    HB1  ALA  46           HB1      ALA  46  17.237  17.759 -12.441
  357    HB2  ALA  46           HB2      ALA  46  18.080  16.252 -12.011
  358    HB3  ALA  46           HB3      ALA  46  18.510  17.773 -11.206
  359    H    ILE  47           H        ILE  47  20.095  15.148 -13.225
  360    HA   ILE  47           HA       ILE  47  22.559  15.593 -11.785
  361    HB   ILE  47           HB       ILE  47  23.120  13.319 -12.150
  362   HG12  ILE  47          HG12      ILE  47  20.869  13.173 -14.174
  363   HG13  ILE  47          HG13      ILE  47  22.591  12.997 -14.496
  364   HG21  ILE  47          HG21      ILE  47  20.121  13.467 -11.660
  365   HG22  ILE  47          HG22      ILE  47  21.282  12.305 -11.002
  366   HG23  ILE  47          HG23      ILE  47  21.343  14.005 -10.498
  367   HD11  ILE  47          HD11      ILE  47  21.606  10.818 -14.512
  368   HD12  ILE  47          HD12      ILE  47  22.614  10.941 -13.051
  369   HD13  ILE  47          HD13      ILE  47  20.837  11.069 -12.939
  370    H    ALA  48           H        ALA  48  21.861  15.406 -15.323
  371    HA   ALA  48           HA       ALA  48  24.532  15.681 -16.206
  372    HB1  ALA  48           HB1      ALA  48  21.937  16.782 -17.361
  373    HB2  ALA  48           HB2      ALA  48  23.476  16.666 -18.236
  374    HB3  ALA  48           HB3      ALA  48  22.658  15.191 -17.685
  375    H    LYS  49           H        LYS  49  22.226  18.317 -15.239
  376    HA   LYS  49           HA       LYS  49  24.075  20.478 -15.735
  377    HB2  LYS  49           HB2      LYS  49  21.596  20.207 -13.977
  378    HB3  LYS  49           HB3      LYS  49  22.477  21.722 -14.132
  379    HG2  LYS  49           HG2      LYS  49  21.390  20.243 -16.560
  380    HG3  LYS  49           HG3      LYS  49  20.429  21.401 -15.629
  381    HD2  LYS  49           HD2      LYS  49  22.050  23.186 -16.098
  382    HD3  LYS  49           HD3      LYS  49  23.084  22.052 -16.993
  383    HE2  LYS  49           HE2      LYS  49  21.240  21.619 -18.597
  384    HE3  LYS  49           HE3      LYS  49  20.196  22.741 -17.710
  385    HZ1  LYS  49           HZ1      LYS  49  21.226  23.821 -19.630
  386    HZ2  LYS  49           HZ2      LYS  49  21.767  24.542 -18.270
  387    HZ3  LYS  49           HZ3      LYS  49  22.729  23.499 -19.093
  388    H    LEU  50           H        LEU  50  23.360  18.654 -12.724
  389    HA   LEU  50           HA       LEU  50  25.206  20.082 -11.052
  390    HB2  LEU  50           HB2      LEU  50  23.733  17.467 -10.972
  391    HB3  LEU  50           HB3      LEU  50  25.167  17.588  -9.973
  392    HG   LEU  50           HG       LEU  50  24.328  19.407  -8.703
  393   HD11  LEU  50          HD11      LEU  50  22.053  20.333  -9.010
  394   HD12  LEU  50          HD12      LEU  50  23.093  20.717 -10.390
  395   HD13  LEU  50          HD13      LEU  50  21.889  19.413 -10.525
  396   HD21  LEU  50          HD21      LEU  50  22.425  18.342  -7.629
  397   HD22  LEU  50          HD22      LEU  50  22.060  17.402  -9.096
  398   HD23  LEU  50          HD23      LEU  50  23.534  17.081  -8.169
  399    H    LEU  51           H        LEU  51  25.781  17.258 -13.208
  400    HA   LEU  51           HA       LEU  51  28.567  17.027 -12.419
  401    HB2  LEU  51           HB2      LEU  51  26.955  15.982 -14.766
  402    HB3  LEU  51           HB3      LEU  51  28.663  15.622 -14.549
  403    HG   LEU  51           HG       LEU  51  26.554  14.944 -12.445
  404   HD11  LEU  51          HD11      LEU  51  27.785  13.168 -14.596
  405   HD12  LEU  51          HD12      LEU  51  26.710  12.638 -13.281
  406   HD13  LEU  51          HD13      LEU  51  26.095  13.724 -14.538
  407   HD21  LEU  51          HD21      LEU  51  28.291  13.366 -11.636
  408   HD22  LEU  51          HD22      LEU  51  29.428  14.016 -12.830
  409   HD23  LEU  51          HD23      LEU  51  28.824  15.047 -11.517
  410    H    SER  52           H        SER  52  27.024  18.526 -15.348
  411    HA   SER  52           HA       SER  52  29.471  19.434 -16.470
  412    HB2  SER  52           HB2      SER  52  26.635  20.465 -16.808
  413    HB3  SER  52           HB3      SER  52  28.018  20.976 -17.798
  414    HG   SER  52           HG       SER  52  26.857  19.234 -18.772
  415    H    LYS  53           H        LYS  53  27.583  20.928 -13.883
  416    HA   LYS  53           HA       LYS  53  28.808  23.512 -13.926
  417    HB2  LYS  53           HB2      LYS  53  26.733  22.839 -12.691
  418    HB3  LYS  53           HB3      LYS  53  27.703  21.848 -11.609
  419    HG2  LYS  53           HG2      LYS  53  27.045  23.950 -10.560
  420    HG3  LYS  53           HG3      LYS  53  28.790  23.832 -10.688
  421    HD2  LYS  53           HD2      LYS  53  28.102  26.090 -11.190
  422    HD3  LYS  53           HD3      LYS  53  28.736  25.362 -12.667
  423    HE2  LYS  53           HE2      LYS  53  26.417  24.933 -13.463
  424    HE3  LYS  53           HE3      LYS  53  25.777  25.592 -11.950
  425    HZ1  LYS  53           HZ1      LYS  53  27.366  27.141 -13.941
  426    HZ2  LYS  53           HZ2      LYS  53  25.751  27.263 -13.722
  427    HZ3  LYS  53           HZ3      LYS  53  26.764  27.750 -12.544
  428    H    GLN  54           H        GLN  54  30.138  20.442 -13.003
  429    HA   GLN  54           HA       GLN  54  32.351  21.668 -11.417
  430    HB2  GLN  54           HB2      GLN  54  31.281  18.831 -11.597
  431    HB3  GLN  54           HB3      GLN  54  32.745  19.277 -10.714
  432    HG2  GLN  54           HG2      GLN  54  31.523  20.701  -9.192
  433    HG3  GLN  54           HG3      GLN  54  30.040  20.559 -10.139
  434   HE21  GLN  54          HE22      GLN  54  28.755  18.655  -9.988
  435   HE22  GLN  54          HE21      GLN  54  29.055  17.469  -8.723
  436    H    THR  55           H        THR  55  34.537  20.856 -11.720
  437    HA   THR  55           HA       THR  55  35.263  20.795 -14.561
  438    HB   THR  55           HB       THR  55  37.581  20.957 -13.697
  439    HG1  THR  55           HG1      THR  55  37.835  21.221 -11.442
  440   HG21  THR  55          HG21      THR  55  36.218  23.011 -14.055
  441   HG22  THR  55          HG22      THR  55  35.692  22.946 -12.356
  442   HG23  THR  55          HG23      THR  55  37.407  23.194 -12.757
  443    H    SER  56           H        SER  56  34.939  18.394 -12.075
  444    HA   SER  56           HA       SER  56  35.517  16.223 -11.845
  445    HB2  SER  56           HB2      SER  56  35.260  16.170 -14.863
  446    HB3  SER  56           HB3      SER  56  35.208  14.765 -13.780
  447    HG   SER  56           HG       SER  56  33.098  15.542 -14.319
  448    H    GLY  57           H        GLY  57  37.785  17.974 -11.887
  449    HA2  GLY  57           HA2      GLY  57  39.985  16.853 -13.368
  450    HA3  GLY  57           HA3      GLY  57  40.098  17.960 -12.006
  451    H    GLY  58           H        GLY  58  41.884  15.848 -12.512
  452    HA2  GLY  58           HA2      GLY  58  41.383  13.552 -10.792
  453    HA3  GLY  58           HA3      GLY  58  42.897  13.980 -11.575
  454    H    SER  59           H        SER  59  43.122  12.931  -9.192
  455    HA   SER  59           HA       SER  59  43.900  15.148  -7.335
  456    HB2  SER  59           HB2      SER  59  42.567  12.519  -6.574
  457    HB3  SER  59           HB3      SER  59  43.245  13.702  -5.438
  458    HG   SER  59           HG       SER  59  40.965  13.961  -5.731
  459    H    GLY  60           H        GLY  60  45.738  14.805  -6.074
  460    HA2  GLY  60           HA2      GLY  60  47.849  13.252  -7.197
  461    HA3  GLY  60           HA3      GLY  60  47.884  14.067  -5.633
  462    H    GLY  61           H        GLY  61  48.862  11.373  -6.570
  463    HA2  GLY  61           HA2      GLY  61  49.236   9.344  -5.548
  464    HA3  GLY  61           HA3      GLY  61  48.167   9.818  -4.230
  465    H    SER  62           H        SER  62  46.424  10.090  -7.122
  466    HA   SER  62           HA       SER  62  44.838   7.712  -6.577
  467    HB2  SER  62           HB2      SER  62  43.906   9.900  -7.355
  468    HB3  SER  62           HB3      SER  62  44.657   9.613  -8.938
  469    HG   SER  62           HG       SER  62  42.431   8.887  -8.790
  470    H    LYS  63           H        LYS  63  44.363   6.021  -8.090
  471    HA   LYS  63           HA       LYS  63  46.733   4.852  -9.313
  472    HB2  LYS  63           HB2      LYS  63  44.952   3.623  -8.051
  473    HB3  LYS  63           HB3      LYS  63  43.836   3.892  -9.379
  474    HG2  LYS  63           HG2      LYS  63  46.479   2.367  -9.595
  475    HG3  LYS  63           HG3      LYS  63  44.914   1.632  -9.254
  476    HD2  LYS  63           HD2      LYS  63  44.079   2.576 -11.468
  477    HD3  LYS  63           HD3      LYS  63  45.774   2.978 -11.838
  478    HE2  LYS  63           HE2      LYS  63  46.401   0.592 -11.503
  479    HE3  LYS  63           HE3      LYS  63  44.708   0.199 -11.172
  480    HZ1  LYS  63           HZ1      LYS  63  45.769   1.279 -13.745
  481    HZ2  LYS  63           HZ2      LYS  63  45.237  -0.245 -13.509
  482    HZ3  LYS  63           HZ3      LYS  63  44.176   0.996 -13.449
  483    H    LEU  64           H        LEU  64  47.482   5.440 -11.205
  484    HA   LEU  64           HA       LEU  64  45.683   5.924 -13.538
  485    HB2  LEU  64           HB2      LEU  64  48.095   7.576 -12.684
  486    HB3  LEU  64           HB3      LEU  64  47.304   7.720 -14.248
  487    HG   LEU  64           HG       LEU  64  45.935   8.294 -11.578
  488   HD11  LEU  64          HD11      LEU  64  47.076  10.199 -13.663
  489   HD12  LEU  64          HD12      LEU  64  46.157  10.658 -12.212
  490   HD13  LEU  64          HD13      LEU  64  47.747   9.891 -12.043
  491   HD21  LEU  64          HD21      LEU  64  44.319   7.692 -13.344
  492   HD22  LEU  64          HD22      LEU  64  44.235   9.419 -12.995
  493   HD23  LEU  64          HD23      LEU  64  45.078   8.856 -14.454
  494    H    GLY  65           H        GLY  65  46.440   5.218 -15.509
  495    HA2  GLY  65           HA2      GLY  65  47.618   3.904 -16.999
  496    HA3  GLY  65           HA3      GLY  65  49.066   4.189 -16.040
  497    H    GLY  66           H        GLY  66  49.606   1.972 -16.629
  498    HA2  GLY  66           HA2      GLY  66  50.113  -0.130 -15.889
  499    HA3  GLY  66           HA3      GLY  66  49.192   0.209 -14.424
  500    H    SER  67           H        SER  67  47.340   0.438 -17.313
  501    HA   SER  67           HA       SER  67  45.558  -0.661 -18.133
  502    HB2  SER  67           HB2      SER  67  47.089  -3.192 -17.474
  503    HB3  SER  67           HB3      SER  67  45.702  -3.062 -18.564
  504    HG   SER  67           HG       SER  67  47.718  -2.969 -19.690
  505    H    GLY  68           H        GLY  68  43.736  -2.259 -17.779
  506    HA2  GLY  68           HA2      GLY  68  43.027  -3.484 -15.398
  507    HA3  GLY  68           HA3      GLY  68  42.546  -1.802 -15.170
  508    H    GLY  69           H        GLY  69  40.635  -3.667 -15.028
  509    HA2  GLY  69           HA2      GLY  69  38.459  -4.010 -15.714
  510    HA3  GLY  69           HA3      GLY  69  38.709  -2.856 -17.012
  511    H    SER  70           H        SER  70  37.151  -4.535 -17.908
  512    HA   SER  70           HA       SER  70  38.161  -7.088 -18.827
  513    HB2  SER  70           HB2      SER  70  35.707  -5.506 -19.684
  514    HB3  SER  70           HB3      SER  70  36.044  -7.205 -20.078
  515    HG   SER  70           HG       SER  70  34.676  -6.996 -18.225
  516    H    ARG  71           H        ARG  71  38.532  -7.786 -20.972
  517    HA   ARG  71           HA       ARG  71  40.120  -5.993 -22.561
  518    HB2  ARG  71           HB2      ARG  71  40.614  -8.380 -22.313
  519    HB3  ARG  71           HB3      ARG  71  39.090  -8.816 -23.082
  520    HG2  ARG  71           HG2      ARG  71  40.996  -9.130 -24.590
  521    HG3  ARG  71           HG3      ARG  71  39.857  -7.955 -25.230
  522    HD2  ARG  71           HD2      ARG  71  41.409  -6.116 -24.318
  523    HD3  ARG  71           HD3      ARG  71  42.542  -7.396 -23.903
  524    HE   ARG  71           HE       ARG  71  43.095  -7.649 -26.143
  525   HH11  ARG  71          HH21      ARG  71  40.209  -5.616 -26.055
  526   HH12  ARG  71          HH22      ARG  71  40.418  -5.130 -27.717
  527   HH21  ARG  71          HH11      ARG  71  43.254  -7.007 -28.251
  528   HH22  ARG  71          HH12      ARG  71  42.082  -5.918 -28.930
  529    H    LYS  72           H        LYS  72  36.755  -6.765 -22.757
  530    HA   LYS  72           HA       LYS  72  36.430  -5.014 -25.161
  531    HB2  LYS  72           HB2      LYS  72  34.974  -7.643 -24.613
  532    HB3  LYS  72           HB3      LYS  72  34.535  -6.484 -25.874
  533    HG2  LYS  72           HG2      LYS  72  36.793  -6.770 -26.909
  534    HG3  LYS  72           HG3      LYS  72  37.172  -8.010 -25.697
  535    HD2  LYS  72           HD2      LYS  72  35.251  -9.373 -26.477
  536    HD3  LYS  72           HD3      LYS  72  34.873  -8.138 -27.698
  537    HE2  LYS  72           HE2      LYS  72  37.118  -8.462 -28.721
  538    HE3  LYS  72           HE3      LYS  72  37.499  -9.690 -27.507
  539    HZ1  LYS  72           HZ1      LYS  72  35.653 -11.036 -28.386
  540    HZ2  LYS  72           HZ2      LYS  72  35.303  -9.900 -29.511
  541    HZ3  LYS  72           HZ3      LYS  72  36.719 -10.705 -29.577
  542    H    ASP  73           H        ASP  73  34.416  -3.931 -25.300
  543    HA   ASP  73           HA       ASP  73  33.426  -2.939 -22.757
  544    HB2  ASP  73           HB2      ASP  73  33.730  -1.502 -24.728
  545    HB3  ASP  73           HB3      ASP  73  32.516  -2.431 -25.612
  546    H    LEU  74           H        LEU  74  31.436  -3.219 -21.797
  547    HA   LEU  74           HA       LEU  74  29.510  -5.204 -22.887
  548    HB2  LEU  74           HB2      LEU  74  30.782  -5.245 -20.124
  549    HB3  LEU  74           HB3      LEU  74  29.364  -6.187 -20.561
  550    HG   LEU  74           HG       LEU  74  32.103  -6.510 -21.873
  551   HD11  LEU  74          HD11      LEU  74  32.112  -7.172 -19.498
  552   HD12  LEU  74          HD12      LEU  74  30.700  -8.212 -19.776
  553   HD13  LEU  74          HD13      LEU  74  32.252  -8.578 -20.565
  554   HD21  LEU  74          HD21      LEU  74  31.150  -8.636 -22.726
  555   HD22  LEU  74          HD22      LEU  74  29.570  -8.216 -22.027
  556   HD23  LEU  74          HD23      LEU  74  30.259  -7.250 -23.352
  557    H    SER  75           H        SER  75  27.399  -5.031 -22.130
  558    HA   SER  75           HA       SER  75  26.475  -2.381 -21.605
  559    HB2  SER  75           HB2      SER  75  24.951  -5.004 -21.407
  560    HB3  SER  75           HB3      SER  75  24.245  -3.382 -21.536
  561    HG   SER  75           HG       SER  75  24.362  -4.451 -23.585
  562    H    VAL  76           H        VAL  76  25.277  -1.534 -19.883
  563    HA   VAL  76           HA       VAL  76  25.410  -2.863 -17.222
  564    HB   VAL  76           HB       VAL  76  26.050  -0.738 -16.150
  565   HG11  VAL  76          HG11      VAL  76  28.421  -0.836 -16.618
  566   HG12  VAL  76          HG12      VAL  76  27.741  -2.472 -16.605
  567   HG13  VAL  76          HG13      VAL  76  28.133  -1.683 -18.149
  568   HG21  VAL  76          HG21      VAL  76  26.728   0.273 -18.942
  569   HG22  VAL  76          HG22      VAL  76  25.394   0.866 -17.924
  570   HG23  VAL  76          HG23      VAL  76  27.071   1.084 -17.404
  571    H    LYS  77           H        LYS  77  24.037  -1.811 -15.594
  572    HA   LYS  77           HA       LYS  77  21.672  -0.348 -16.628
  573    HB2  LYS  77           HB2      LYS  77  20.092  -1.943 -15.688
  574    HB3  LYS  77           HB3      LYS  77  21.102  -2.718 -16.906
  575    HG2  LYS  77           HG2      LYS  77  22.490  -3.746 -15.109
  576    HG3  LYS  77           HG3      LYS  77  21.473  -2.966 -13.883
  577    HD2  LYS  77           HD2      LYS  77  19.493  -4.192 -14.739
  578    HD3  LYS  77           HD3      LYS  77  20.511  -4.969 -15.972
  579    HE2  LYS  77           HE2      LYS  77  21.915  -5.975 -14.178
  580    HE3  LYS  77           HE3      LYS  77  20.902  -5.204 -12.950
  581    HZ1  LYS  77           HZ1      LYS  77  19.015  -6.524 -13.775
  582    HZ2  LYS  77           HZ2      LYS  77  19.950  -7.232 -14.915
  583    HZ3  LYS  77           HZ3      LYS  77  20.234  -7.514 -13.334
  584    H    GLY  78           H        GLY  78  20.230   0.432 -14.966
  585    HA2  GLY  78           HA2      GLY  78  21.638   1.719 -12.775
  586    HA3  GLY  78           HA3      GLY  78  19.925   1.847 -13.154
  587    H    MET  79           H        MET  79  20.614   1.822 -10.569
  588    HA   MET  79           HA       MET  79  20.679  -0.832  -9.408
  589    HB2  MET  79           HB2      MET  79  20.844   0.249  -7.307
  590    HB3  MET  79           HB3      MET  79  21.886   1.082  -8.450
  591    HG2  MET  79           HG2      MET  79  19.136   2.054  -7.554
  592    HG3  MET  79           HG3      MET  79  20.672   2.575  -6.876
  593    HE1  MET  79           HE1      MET  79  20.188   5.099  -7.151
  594    HE2  MET  79           HE2      MET  79  19.536   5.831  -8.640
  595    HE3  MET  79           HE3      MET  79  18.565   4.657  -7.724
  596    H    LEU  80           H        LEU  80  18.046   0.919 -10.567
  597    HA   LEU  80           HA       LEU  80  16.191  -0.927  -9.240
  598    HB2  LEU  80           HB2      LEU  80  14.650   0.637  -8.479
  599    HB3  LEU  80           HB3      LEU  80  16.202   1.201  -7.890
  600    HG   LEU  80           HG       LEU  80  14.617   2.362 -10.229
  601   HD11  LEU  80          HD11      LEU  80  13.654   2.803  -8.002
  602   HD12  LEU  80          HD12      LEU  80  15.212   3.452  -7.444
  603   HD13  LEU  80          HD13      LEU  80  14.293   4.279  -8.724
  604   HD21  LEU  80          HD21      LEU  80  16.241   4.279 -10.080
  605   HD22  LEU  80          HD22      LEU  80  17.247   3.278  -9.012
  606   HD23  LEU  80          HD23      LEU  80  16.958   2.795 -10.701
  607    H    TYR  81           H        TYR  81  14.198  -1.273 -10.346
  608    HA   TYR  81           HA       TYR  81  14.634  -1.394 -13.194
  609    HB2  TYR  81           HB2      TYR  81  13.597  -3.185 -11.859
  610    HB3  TYR  81           HB3      TYR  81  12.227  -2.145 -11.497
  611    HD1  TYR  81           HD2      TYR  81  14.060  -3.822 -14.301
  612    HD2  TYR  81           HD1      TYR  81  10.365  -2.013 -12.993
  613    HE1  TYR  81           HE2      TYR  81  12.936  -4.616 -16.376
  614    HE2  TYR  81           HE1      TYR  81   9.242  -2.808 -15.071
  615    HH   TYR  81           HH       TYR  81  10.973  -4.699 -17.587
  616    H    ASP  82           H        ASP  82  12.523   0.654 -11.184
  617    HA   ASP  82           HA       ASP  82  11.815   2.308 -13.547
  618    HB2  ASP  82           HB2      ASP  82  10.054   0.583 -13.305
  619    HB3  ASP  82           HB3      ASP  82   9.798   1.073 -11.627
  620    H    SER  83           H        SER  83  11.295   4.432 -13.112
  621    HA   SER  83           HA       SER  83  11.221   5.479 -10.357
  622    HB2  SER  83           HB2      SER  83  13.650   5.383 -11.003
  623    HB3  SER  83           HB3      SER  83  13.281   6.479 -12.352
  624    HG   SER  83           HG       SER  83  14.006   7.591 -10.439
  625    H    ASP  84           H        ASP  84  10.583   7.782 -10.327
  626    HA   ASP  84           HA       ASP  84   9.014   8.637 -12.722
  627    HB2  ASP  84           HB2      ASP  84   7.534   7.253 -11.389
  628    HB3  ASP  84           HB3      ASP  84   7.923   8.167  -9.933
  629    H    SER  85           H        SER  85   9.152  10.718 -13.156
  630    HA   SER  85           HA       SER  85  11.025  12.407 -11.952
  631    HB2  SER  85           HB2      SER  85   9.872  14.185 -13.364
  632    HB3  SER  85           HB3      SER  85  10.428  12.737 -14.220
  633    HG   SER  85           HG       SER  85   8.280  13.320 -14.830
  634    H    GLN  86           H        GLN  86   7.429  12.617 -11.619
  635    HA   GLN  86           HA       GLN  86   7.704  14.857  -9.790
  636    HB2  GLN  86           HB2      GLN  86   5.339  14.928  -9.614
  637    HB3  GLN  86           HB3      GLN  86   5.874  14.839 -11.277
  638    HG2  GLN  86           HG2      GLN  86   3.972  13.519 -11.234
  639    HG3  GLN  86           HG3      GLN  86   5.272  12.348 -11.239
  640   HE21  GLN  86          HE22      GLN  86   5.160  10.772  -9.639
  641   HE22  GLN  86          HE21      GLN  86   4.048  10.852  -8.254
  642    H    GLN  87           H        GLN  87   7.442  11.339  -9.295
  643    HA   GLN  87           HA       GLN  87   6.992  11.502  -6.455
  644    HB2  GLN  87           HB2      GLN  87   6.678   9.478  -7.872
  645    HB3  GLN  87           HB3      GLN  87   8.434   9.350  -8.051
  646    HG2  GLN  87           HG2      GLN  87   8.679   9.016  -5.616
  647    HG3  GLN  87           HG3      GLN  87   6.943   9.252  -5.391
  648   HE21  GLN  87          HE22      GLN  87   5.447   7.556  -6.236
  649   HE22  GLN  87          HE21      GLN  87   6.094   5.954  -6.545
  650    H    ILE  88           H        ILE  88  10.101  11.228  -8.334
  651    HA   ILE  88           HA       ILE  88  11.780  11.470  -6.014
  652    HB   ILE  88           HB       ILE  88  12.423  12.329  -8.861
  653   HG12  ILE  88          HG12      ILE  88  11.912   9.997  -9.009
  654   HG13  ILE  88          HG13      ILE  88  13.642  10.162  -9.049
  655   HG21  ILE  88          HG21      ILE  88  14.244  11.689  -6.492
  656   HG22  ILE  88          HG22      ILE  88  14.793  12.019  -8.146
  657   HG23  ILE  88          HG23      ILE  88  13.997  13.288  -7.208
  658   HD11  ILE  88          HD11      ILE  88  13.737   9.424  -6.655
  659   HD12  ILE  88          HD12      ILE  88  11.960   9.228  -6.686
  660   HD13  ILE  88          HD13      ILE  88  12.983   8.234  -7.727
  661    H    LEU  89           H        LEU  89  10.526  14.031  -8.263
  662    HA   LEU  89           HA       LEU  89  11.768  16.171  -6.874
  663    HB2  LEU  89           HB2      LEU  89  10.861  16.431  -9.124
  664    HB3  LEU  89           HB3      LEU  89   9.242  16.012  -8.571
  665    HG   LEU  89           HG       LEU  89   9.055  18.108  -7.318
  666   HD11  LEU  89          HD11      LEU  89  11.770  18.851  -8.486
  667   HD12  LEU  89          HD12      LEU  89  10.699  19.904  -7.546
  668   HD13  LEU  89          HD13      LEU  89  11.461  18.522  -6.759
  669   HD21  LEU  89          HD21      LEU  89   9.998  18.542 -10.186
  670   HD22  LEU  89          HD22      LEU  89   8.370  18.019  -9.690
  671   HD23  LEU  89          HD23      LEU  89   8.953  19.623  -9.230
  672    H    ASN  90           H        ASN  90   8.467  14.769  -6.307
  673    HA   ASN  90           HA       ASN  90   7.792  16.594  -4.228
  674    HB2  ASN  90           HB2      ASN  90   6.891  13.739  -4.806
  675    HB3  ASN  90           HB3      ASN  90   6.196  14.728  -3.525
  676   HD21  ASN  90          HD22      ASN  90   4.435  13.815  -5.318
  677   HD22  ASN  90          HD21      ASN  90   3.941  15.102  -6.400
  678    H    ARG  91           H        ARG  91   9.391  13.312  -3.913
  679    HA   ARG  91           HA       ARG  91   9.625  13.638  -1.020
  680    HB2  ARG  91           HB2      ARG  91  11.148  11.824  -2.951
  681    HB3  ARG  91           HB3      ARG  91  11.246  11.743  -1.193
  682    HG2  ARG  91           HG2      ARG  91   8.849  11.062  -2.934
  683    HG3  ARG  91           HG3      ARG  91   9.783  10.007  -1.871
  684    HD2  ARG  91           HD2      ARG  91   8.981  11.507   0.072
  685    HD3  ARG  91           HD3      ARG  91   7.850  12.212  -1.109
  686    HE   ARG  91           HE       ARG  91   7.721   9.302  -0.996
  687   HH11  ARG  91          HH11      ARG  91   6.465  12.238   0.528
  688   HH12  ARG  91          HH12      ARG  91   5.124  11.378   1.240
  689   HH21  ARG  91          HH21      ARG  91   5.967   8.304  -0.062
  690   HH22  ARG  91          HH22      ARG  91   4.834   9.219   0.897
  691    H    LEU  92           H        LEU  92  11.789  14.560  -3.691
  692    HA   LEU  92           HA       LEU  92  13.953  15.374  -1.992
  693    HB2  LEU  92           HB2      LEU  92  14.098  14.863  -4.405
  694    HB3  LEU  92           HB3      LEU  92  13.143  16.302  -4.767
  695    HG   LEU  92           HG       LEU  92  14.970  17.732  -3.875
  696   HD11  LEU  92          HD11      LEU  92  17.204  16.724  -3.456
  697   HD12  LEU  92          HD12      LEU  92  16.035  16.249  -2.232
  698   HD13  LEU  92          HD13      LEU  92  16.476  15.105  -3.525
  699   HD21  LEU  92          HD21      LEU  92  15.821  15.637  -5.923
  700   HD22  LEU  92          HD22      LEU  92  14.885  17.126  -6.250
  701   HD23  LEU  92          HD23      LEU  92  16.569  17.219  -5.703
  702    H    ARG  93           H        ARG  93  11.057  17.149  -3.194
  703    HA   ARG  93           HA       ARG  93  11.833  19.670  -1.991
  704    HB2  ARG  93           HB2      ARG  93  10.194  19.284  -3.910
  705    HB3  ARG  93           HB3      ARG  93   9.010  18.738  -2.715
  706    HG2  ARG  93           HG2      ARG  93   9.171  20.978  -1.588
  707    HG3  ARG  93           HG3      ARG  93  10.405  21.456  -2.763
  708    HD2  ARG  93           HD2      ARG  93   8.538  20.851  -4.551
  709    HD3  ARG  93           HD3      ARG  93   7.444  20.995  -3.182
  710    HE   ARG  93           HE       ARG  93   7.797  23.311  -3.115
  711   HH11  ARG  93          HH12      ARG  93  10.072  21.974  -5.503
  712   HH12  ARG  93          HH11      ARG  93  10.507  23.621  -5.994
  713   HH21  ARG  93          HH22      ARG  93   8.514  25.313  -3.967
  714   HH22  ARG  93          HH21      ARG  93   9.720  25.267  -5.257
  715    H    GLU  94           H        GLU  94   9.724  16.990  -0.822
  716    HA   GLU  94           HA       GLU  94   9.051  18.229   1.656
  717    HB2  GLU  94           HB2      GLU  94   9.349  15.299   0.892
  718    HB3  GLU  94           HB3      GLU  94   8.742  15.853   2.458
  719    HG2  GLU  94           HG2      GLU  94   6.938  17.117   1.332
  720    HG3  GLU  94           HG3      GLU  94   7.474  16.515  -0.231
  721    H    ARG  95           H        ARG  95  11.831  15.958   0.990
  722    HA   ARG  95           HA       ARG  95  12.832  16.253   3.672
  723    HB2  ARG  95           HB2      ARG  95  14.721  14.979   2.991
  724    HB3  ARG  95           HB3      ARG  95  13.285  14.319   2.212
  725    HG2  ARG  95           HG2      ARG  95  13.946  15.748   0.175
  726    HG3  ARG  95           HG3      ARG  95  15.508  15.990   0.951
  727    HD2  ARG  95           HD2      ARG  95  14.312  13.240   0.383
  728    HD3  ARG  95           HD3      ARG  95  15.313  14.119  -0.767
  729    HE   ARG  95           HE       ARG  95  17.162  14.150   0.898
  730   HH11  ARG  95          HH21      ARG  95  14.813  11.544   1.352
  731   HH12  ARG  95          HH22      ARG  95  16.086  10.478   1.931
  732   HH21  ARG  95          HH11      ARG  95  18.538  12.890   1.649
  733   HH22  ARG  95          HH12      ARG  95  18.155  11.229   2.164
  734    H    VAL  96           H        VAL  96  13.624  18.147   0.723
  735    HA   VAL  96           HA       VAL  96  15.753  19.588   2.125
  736    HB   VAL  96           HB       VAL  96  14.419  20.074  -0.553
  737   HG11  VAL  96          HG11      VAL  96  16.770  21.544   0.725
  738   HG12  VAL  96          HG12      VAL  96  16.316  21.641  -0.991
  739   HG13  VAL  96          HG13      VAL  96  15.217  22.260   0.243
  740   HG21  VAL  96          HG21      VAL  96  15.894  18.067  -0.371
  741   HG22  VAL  96          HG22      VAL  96  16.652  19.309  -1.367
  742   HG23  VAL  96          HG23      VAL  96  17.179  19.081   0.310
  743    H    SER  97           H        SER  97  12.389  20.593   1.143
  744    HA   SER  97           HA       SER  97  12.665  23.127   2.449
  745    HB2  SER  97           HB2      SER  97  10.141  21.634   1.662
  746    HB3  SER  97           HB3      SER  97  10.236  23.332   2.169
  747    HG   SER  97           HG       SER  97  10.317  23.223  -0.097
  748    H    GLY  98           H        GLY  98  11.315  19.982   3.607
  749    HA2  GLY  98           HA2      GLY  98  10.317  20.912   6.105
  750    HA3  GLY  98           HA3      GLY  98  10.799  19.260   5.710
  751    H    SER  99           H        SER  99  13.635  20.481   5.108
  752    HA   SER  99           HA       SER  99  14.689  20.303   7.855
  753    HB2  SER  99           HB2      SER  99  16.115  20.589   5.186
  754    HB3  SER  99           HB3      SER  99  16.900  20.387   6.758
  755    HG   SER  99           HG       SER  99  15.334  18.532   5.306
  756    H    THR 100           H        THR 100  13.393  22.873   6.167
  757    HA   THR 100           HA       THR 100  14.948  24.813   7.818
  758    HB   THR 100           HB       THR 100  15.998  24.837   5.638
  759    HG1  THR 100           HG1      THR 100  15.945  26.803   6.647
  760   HG21  THR 100          HG21      THR 100  14.876  25.680   3.634
  761   HG22  THR 100          HG22      THR 100  14.171  24.145   4.149
  762   HG23  THR 100          HG23      THR 100  13.307  25.669   4.463
  763    H    ALA 101           H        ALA 101  11.898  24.177   6.056
  764    HA   ALA 101           HA       ALA 101  10.565  26.565   6.830
  765    HB1  ALA 101           HB1      ALA 101   8.527  25.320   6.211
  766    HB2  ALA 101           HB2      ALA 101   9.815  25.095   5.013
  767    HB3  ALA 101           HB3      ALA 101   9.455  23.803   6.182
  768    H    GLN 102           H        GLN 102   9.590  27.215   8.672
  769    HA   GLN 102           HA       GLN 102  10.131  25.696  11.097
  770    HB2  GLN 102           HB2      GLN 102   8.748  28.373  10.675
  771    HB3  GLN 102           HB3      GLN 102   9.257  27.718  12.230
  772    HG2  GLN 102           HG2      GLN 102  11.111  28.460   9.920
  773    HG3  GLN 102           HG3      GLN 102  10.849  29.391  11.386
  774   HE21  GLN 102          HE21      GLN 102  12.744  26.809   9.977
  775   HE22  GLN 102          HE22      GLN 102  13.546  26.362  11.475
  776    H    SER 103           H        SER 103   7.339  25.916   9.066
  777    HA   SER 103           HA       SER 103   5.424  25.096  11.133
  778    HB2  SER 103           HB2      SER 103   5.087  25.287   8.122
  779    HB3  SER 103           HB3      SER 103   3.799  25.115   9.324
  780    HG   SER 103           HG       SER 103   4.080  27.308   8.682
  781    H    ALA 104           H        ALA 104   7.753  23.338   9.499
  782    HA   ALA 104           HA       ALA 104   6.263  20.965   8.757
  783    HB1  ALA 104           HB1      ALA 104   8.335  21.641   7.616
  784    HB2  ALA 104           HB2      ALA 104   9.251  21.419   9.126
  785    HB3  ALA 104           HB3      ALA 104   8.491  20.026   8.332
  Start of MODEL   17
    1    H1   SER   1           H1       SER   1  -7.085   8.280 -15.387
    2    H2   SER   1           H2       SER   1  -5.488   8.230 -15.014
    3    H3   SER   1           H3       SER   1  -6.108   7.186 -16.113
    4    HA   SER   1           HA       SER   1  -6.756   7.264 -13.236
    5    HB2  SER   1           HB2      SER   1  -7.753   5.292 -15.334
    6    HB3  SER   1           HB3      SER   1  -8.113   5.258 -13.598
    7    HG   SER   1           HG       SER   1  -9.773   6.301 -14.808
    8    H    VAL   2           H        VAL   2  -5.992   5.453 -11.977
    9    HA   VAL   2           HA       VAL   2  -3.335   4.503 -12.774
   10    HB   VAL   2           HB       VAL   2  -3.269   3.401 -10.586
   11   HG11  VAL   2          HG11      VAL   2  -4.186   6.301 -10.423
   12   HG12  VAL   2          HG12      VAL   2  -3.204   5.423  -9.231
   13   HG13  VAL   2          HG13      VAL   2  -2.552   5.744 -10.846
   14   HG21  VAL   2          HG21      VAL   2  -6.034   4.586 -10.060
   15   HG22  VAL   2          HG22      VAL   2  -5.676   2.856 -10.278
   16   HG23  VAL   2          HG23      VAL   2  -4.992   3.737  -8.907
   17    H    SER   3           H        SER   3  -2.644   2.284 -12.734
   18    HA   SER   3           HA       SER   3  -4.651   0.165 -13.171
   19    HB2  SER   3           HB2      SER   3  -4.180   1.251 -15.412
   20    HB3  SER   3           HB3      SER   3  -2.500   0.703 -15.251
   21    HG   SER   3           HG       SER   3  -3.863  -0.788 -16.427
   22    H    ILE   4           H        ILE   4  -3.592  -1.988 -13.362
   23    HA   ILE   4           HA       ILE   4  -1.652  -2.285 -11.184
   24    HB   ILE   4           HB       ILE   4  -3.233  -4.269 -12.856
   25   HG12  ILE   4          HG12      ILE   4  -4.205  -4.899 -10.645
   26   HG13  ILE   4          HG13      ILE   4  -3.297  -3.606  -9.871
   27   HG21  ILE   4          HG21      ILE   4  -2.358  -6.054 -11.363
   28   HG22  ILE   4          HG22      ILE   4  -1.096  -5.370 -12.371
   29   HG23  ILE   4          HG23      ILE   4  -1.211  -4.896 -10.656
   30   HD11  ILE   4          HD11      ILE   4  -4.667  -1.922 -10.962
   31   HD12  ILE   4          HD12      ILE   4  -5.398  -3.149 -12.033
   32   HD13  ILE   4          HD13      ILE   4  -5.740  -3.151 -10.294
   33    H    LEU   5           H        LEU   5   0.445  -2.844 -11.317
   34    HA   LEU   5           HA       LEU   5   1.656  -3.755 -13.822
   35    HB2  LEU   5           HB2      LEU   5   3.290  -2.080 -14.015
   36    HB3  LEU   5           HB3      LEU   5   1.735  -1.309 -13.950
   37    HG   LEU   5           HG       LEU   5   3.212   0.090 -12.848
   38   HD11  LEU   5          HD11      LEU   5   1.863  -1.324 -10.526
   39   HD12  LEU   5          HD12      LEU   5   2.414   0.358 -10.601
   40   HD13  LEU   5          HD13      LEU   5   1.071  -0.164 -11.627
   41   HD21  LEU   5          HD21      LEU   5   4.173  -2.079 -10.967
   42   HD22  LEU   5          HD22      LEU   5   5.035  -1.549 -12.428
   43   HD23  LEU   5          HD23      LEU   5   4.742  -0.416 -11.103
   44    H    ARG   6           H        ARG   6   3.872  -4.540 -13.574
   45    HA   ARG   6           HA       ARG   6   3.947  -6.303 -11.270
   46    HB2  ARG   6           HB2      ARG   6   4.459  -7.024 -13.577
   47    HB3  ARG   6           HB3      ARG   6   5.905  -6.000 -13.583
   48    HG2  ARG   6           HG2      ARG   6   6.883  -7.343 -11.749
   49    HG3  ARG   6           HG3      ARG   6   5.402  -8.318 -11.653
   50    HD2  ARG   6           HD2      ARG   6   5.766  -9.103 -13.967
   51    HD3  ARG   6           HD3      ARG   6   7.232  -8.102 -14.080
   52    HE   ARG   6           HE       ARG   6   7.523  -9.762 -11.805
   53   HH11  ARG   6          HH11      ARG   6   7.378 -10.226 -15.279
   54   HH12  ARG   6          HH12      ARG   6   8.344 -11.675 -15.218
   55   HH21  ARG   6          HH21      ARG   6   8.738 -11.622 -11.796
   56   HH22  ARG   6          HH22      ARG   6   9.085 -12.444 -13.288
   57    H    SER   7           H        SER   7   5.177  -6.321  -9.550
   58    HA   SER   7           HA       SER   7   6.504  -5.738  -7.848
   59    HB2  SER   7           HB2      SER   7   8.403  -4.654  -9.944
   60    HB3  SER   7           HB3      SER   7   8.795  -5.011  -8.258
   61    HG   SER   7           HG       SER   7   9.349  -6.764  -9.637
   62    H    SER   8           H        SER   8   7.524  -4.067  -6.522
   63    HA   SER   8           HA       SER   8   6.791  -1.261  -7.022
   64    HB2  SER   8           HB2      SER   8   5.495  -1.073  -4.940
   65    HB3  SER   8           HB3      SER   8   4.726  -2.189  -6.079
   66    HG   SER   8           HG       SER   8   4.770  -3.045  -3.943
   67    H    VAL   9           H        VAL   9   7.554   0.173  -5.241
   68    HA   VAL   9           HA       VAL   9   9.794  -0.920  -3.615
   69    HB   VAL   9           HB       VAL   9  11.171   1.056  -4.075
   70   HG11  VAL   9          HG11      VAL   9  11.562  -1.062  -5.282
   71   HG12  VAL   9          HG12      VAL   9  10.525  -0.495  -6.609
   72   HG13  VAL   9          HG13      VAL   9  12.035   0.362  -6.227
   73   HG21  VAL   9          HG21      VAL   9   9.234   1.679  -6.341
   74   HG22  VAL   9          HG22      VAL   9   9.476   2.656  -4.875
   75   HG23  VAL   9          HG23      VAL   9  10.793   2.470  -6.035
   76    H    ASN  10           H        ASN  10  10.292   0.172  -1.728
   77    HA   ASN  10           HA       ASN  10   8.054   1.680  -0.528
   78    HB2  ASN  10           HB2      ASN  10   9.235  -0.225   0.632
   79    HB3  ASN  10           HB3      ASN  10  10.709   0.744   0.675
   80   HD21  ASN  10          HD22      ASN  10   7.284   0.691   1.768
   81   HD22  ASN  10          HD21      ASN  10   7.565   1.737   3.147
   82    H    HIS  11           H        HIS  11   8.362   3.758   0.590
   83    HA   HIS  11           HA       HIS  11   9.726   5.717  -0.949
   84    HB2  HIS  11           HB2      HIS  11   9.148   7.279   0.810
   85    HB3  HIS  11           HB3      HIS  11   7.793   6.216   0.456
   86    HD2  HIS  11           HD2      HIS  11   6.724   4.958   2.483
   87    HE1  HIS  11           HE1      HIS  11   9.634   5.883   5.463
   88    HE2  HIS  11           HE2      HIS  11   7.337   4.858   5.041
   89    H    ARG  12           H        ARG  12  10.958   3.838   1.808
   90    HA   ARG  12           HA       ARG  12  13.392   5.276   2.251
   91    HB2  ARG  12           HB2      ARG  12  12.766   2.294   2.437
   92    HB3  ARG  12           HB3      ARG  12  14.242   3.043   3.048
   93    HG2  ARG  12           HG2      ARG  12  13.009   4.370   4.665
   94    HG3  ARG  12           HG3      ARG  12  11.457   3.856   3.995
   95    HD2  ARG  12           HD2      ARG  12  12.048   1.466   4.563
   96    HD3  ARG  12           HD3      ARG  12  13.519   2.063   5.331
   97    HE   ARG  12           HE       ARG  12  12.303   2.787   7.154
   98   HH11  ARG  12          HH21      ARG  12   9.938   2.137   4.620
   99   HH12  ARG  12          HH22      ARG  12   8.627   2.058   5.775
  100   HH21  ARG  12          HH11      ARG  12  10.563   2.773   8.517
  101   HH22  ARG  12          HH12      ARG  12   8.966   2.490   7.903
  102    H    GLU  13           H        GLU  13  12.568   2.920  -0.281
  103    HA   GLU  13           HA       GLU  13  15.314   2.670  -1.254
  104    HB2  GLU  13           HB2      GLU  13  12.654   1.924  -2.528
  105    HB3  GLU  13           HB3      GLU  13  14.242   1.507  -3.168
  106    HG2  GLU  13           HG2      GLU  13  14.747   0.188  -1.155
  107    HG3  GLU  13           HG3      GLU  13  13.213   0.649  -0.424
  108    H    VAL  14           H        VAL  14  12.457   4.657  -2.122
  109    HA   VAL  14           HA       VAL  14  13.700   6.024  -4.351
  110    HB   VAL  14           HB       VAL  14  11.513   7.055  -2.495
  111   HG11  VAL  14          HG11      VAL  14  12.527   8.810  -3.972
  112   HG12  VAL  14          HG12      VAL  14  12.169   7.785  -5.383
  113   HG13  VAL  14          HG13      VAL  14  10.851   8.450  -4.391
  114   HG21  VAL  14          HG21      VAL  14   9.930   6.230  -4.233
  115   HG22  VAL  14          HG22      VAL  14  11.284   5.458  -5.086
  116   HG23  VAL  14          HG23      VAL  14  10.803   4.900  -3.474
  117    H    ASP  15           H        ASP  15  13.552   6.729  -0.827
  118    HA   ASP  15           HA       ASP  15  15.032   9.176  -0.917
  119    HB2  ASP  15           HB2      ASP  15  13.609   8.307   0.975
  120    HB3  ASP  15           HB3      ASP  15  14.890   7.149   1.349
  121    H    GLU  16           H        GLU  16  16.150   5.781  -0.381
  122    HA   GLU  16           HA       GLU  16  18.936   6.339  -0.197
  123    HB2  GLU  16           HB2      GLU  16  17.971   4.204   0.457
  124    HB3  GLU  16           HB3      GLU  16  17.413   3.893  -1.191
  125    HG2  GLU  16           HG2      GLU  16  19.711   3.739  -2.007
  126    HG3  GLU  16           HG3      GLU  16  20.340   4.213  -0.423
  127    H    ALA  17           H        ALA  17  16.904   5.717  -3.130
  128    HA   ALA  17           HA       ALA  17  19.089   5.801  -4.955
  129    HB1  ALA  17           HB1      ALA  17  17.331   6.185  -6.662
  130    HB2  ALA  17           HB2      ALA  17  16.880   4.888  -5.537
  131    HB3  ALA  17           HB3      ALA  17  16.146   6.498  -5.382
  132    H    ILE  18           H        ILE  18  16.918   8.425  -3.753
  133    HA   ILE  18           HA       ILE  18  18.155  10.583  -5.171
  134    HB   ILE  18           HB       ILE  18  16.485  10.299  -2.665
  135   HG12  ILE  18          HG12      ILE  18  16.024  11.869  -5.236
  136   HG13  ILE  18          HG13      ILE  18  15.616  10.162  -5.070
  137   HG21  ILE  18          HG21      ILE  18  17.660  12.948  -3.600
  138   HG22  ILE  18          HG22      ILE  18  16.351  12.772  -2.418
  139   HG23  ILE  18          HG23      ILE  18  17.949  12.153  -2.040
  140   HD11  ILE  18          HD11      ILE  18  14.398  12.425  -3.441
  141   HD12  ILE  18          HD12      ILE  18  13.627  11.478  -4.716
  142   HD13  ILE  18          HD13      ILE  18  14.089  10.689  -3.196
  143    H    ASP  19           H        ASP  19  18.958   9.214  -1.928
  144    HA   ASP  19           HA       ASP  19  21.123  10.971  -1.396
  145    HB2  ASP  19           HB2      ASP  19  19.806   9.180   0.062
  146    HB3  ASP  19           HB3      ASP  19  21.094   8.100  -0.440
  147    H    ASN  20           H        ASN  20  21.083   7.813  -3.113
  148    HA   ASN  20           HA       ASN  20  23.894   7.657  -3.581
  149    HB2  ASN  20           HB2      ASN  20  22.321   5.749  -3.774
  150    HB3  ASN  20           HB3      ASN  20  21.549   6.509  -5.168
  151   HD21  ASN  20          HD22      ASN  20  24.624   5.067  -4.011
  152   HD22  ASN  20          HD21      ASN  20  25.212   4.719  -5.627
  153    H    ILE  21           H        ILE  21  21.289   9.197  -5.561
  154    HA   ILE  21           HA       ILE  21  23.083  10.062  -7.667
  155    HB   ILE  21           HB       ILE  21  20.242  10.656  -6.873
  156   HG12  ILE  21          HG12      ILE  21  19.906  10.292  -9.325
  157   HG13  ILE  21          HG13      ILE  21  21.638  10.052  -9.525
  158   HG21  ILE  21          HG21      ILE  21  21.026  12.952  -7.203
  159   HG22  ILE  21          HG22      ILE  21  21.843  12.484  -8.714
  160   HG23  ILE  21          HG23      ILE  21  20.068  12.458  -8.584
  161   HD11  ILE  21          HD11      ILE  21  19.718   8.296  -7.940
  162   HD12  ILE  21          HD12      ILE  21  20.445   7.920  -9.509
  163   HD13  ILE  21          HD13      ILE  21  21.473   8.012  -8.069
  164    H    LEU  22           H        LEU  22  21.931  11.665  -4.671
  165    HA   LEU  22           HA       LEU  22  23.219  14.142  -5.014
  166    HB2  LEU  22           HB2      LEU  22  21.509  13.606  -3.329
  167    HB3  LEU  22           HB3      LEU  22  22.595  12.469  -2.538
  168    HG   LEU  22           HG       LEU  22  24.100  14.328  -1.892
  169   HD11  LEU  22          HD11      LEU  22  23.506  15.975  -3.655
  170   HD12  LEU  22          HD12      LEU  22  21.849  16.081  -3.015
  171   HD13  LEU  22          HD13      LEU  22  23.233  16.628  -2.041
  172   HD21  LEU  22          HD21      LEU  22  21.180  14.641  -1.065
  173   HD22  LEU  22          HD22      LEU  22  22.354  13.502  -0.361
  174   HD23  LEU  22          HD23      LEU  22  22.597  15.247  -0.169
  175    H    ARG  23           H        ARG  23  24.537  11.144  -3.507
  176    HA   ARG  23           HA       ARG  23  27.201  12.218  -3.084
  177    HB2  ARG  23           HB2      ARG  23  26.129   9.371  -3.248
  178    HB3  ARG  23           HB3      ARG  23  27.801   9.781  -2.812
  179    HG2  ARG  23           HG2      ARG  23  27.055  11.033  -0.849
  180    HG3  ARG  23           HG3      ARG  23  25.363  10.784  -1.291
  181    HD2  ARG  23           HD2      ARG  23  25.871   8.254  -1.197
  182    HD3  ARG  23           HD3      ARG  23  27.365   8.695  -0.360
  183    HE   ARG  23           HE       ARG  23  24.540   9.091   0.562
  184   HH11  ARG  23          HH11      ARG  23  27.910   9.365   1.548
  185   HH12  ARG  23          HH12      ARG  23  27.445   9.645   3.205
  186   HH21  ARG  23          HH21      ARG  23  24.055   9.425   2.476
  187   HH22  ARG  23          HH22      ARG  23  25.240   9.663   3.767
  188    H    TYR  24           H        TYR  24  25.866  10.137  -5.722
  189    HA   TYR  24           HA       TYR  24  28.287   9.756  -7.111
  190    HB2  TYR  24           HB2      TYR  24  26.286   8.443  -7.511
  191    HB3  TYR  24           HB3      TYR  24  25.403   9.865  -8.050
  192    HD1  TYR  24           HD2      TYR  24  28.418   7.787  -8.900
  193    HD2  TYR  24           HD1      TYR  24  25.270  10.360 -10.341
  194    HE1  TYR  24           HE2      TYR  24  29.108   7.316 -11.253
  195    HE2  TYR  24           HE1      TYR  24  25.956   9.885 -12.692
  196    HH   TYR  24           HH       TYR  24  27.415   8.748 -14.071
  197    H    THR  25           H        THR  25  25.910  12.444  -7.483
  198    HA   THR  25           HA       THR  25  27.525  13.682  -9.601
  199    HB   THR  25           HB       THR  25  25.934  15.455  -9.618
  200    HG1  THR  25           HG1      THR  25  24.513  14.203  -7.517
  201   HG21  THR  25          HG21      THR  25  25.254  13.355 -10.769
  202   HG22  THR  25          HG22      THR  25  24.398  12.843  -9.312
  203   HG23  THR  25          HG23      THR  25  23.878  14.304 -10.165
  204    H    ASN  26           H        ASN  26  28.018  13.570  -6.295
  205    HA   ASN  26           HA       ASN  26  29.122  14.777  -4.780
  206    HB2  ASN  26           HB2      ASN  26  30.925  14.240  -6.418
  207    HB3  ASN  26           HB3      ASN  26  30.701  15.833  -7.155
  208   HD21  ASN  26          HD22      ASN  26  33.091  15.936  -6.553
  209   HD22  ASN  26          HD21      ASN  26  33.465  16.497  -4.932
  210    H    SER  27           H        SER  27  26.831  15.774  -4.886
  211    HA   SER  27           HA       SER  27  27.030  18.764  -5.185
  212    HB2  SER  27           HB2      SER  27  24.595  17.033  -5.704
  213    HB3  SER  27           HB3      SER  27  24.746  18.776  -5.956
  214    HG   SER  27           HG       SER  27  25.563  16.688  -7.517
  215    H    THR  28           H        THR  28  25.441  20.029  -3.947
  216    HA   THR  28           HA       THR  28  24.900  18.901  -1.244
  217    HB   THR  28           HB       THR  28  24.364  21.086  -0.516
  218    HG1  THR  28           HG1      THR  28  24.352  22.834  -2.011
  219   HG21  THR  28          HG21      THR  28  26.358  22.375  -0.940
  220   HG22  THR  28          HG22      THR  28  26.813  20.666  -0.823
  221   HG23  THR  28          HG23      THR  28  26.717  21.452  -2.415
  222    H    GLU  29           H        GLU  29  22.743  19.075  -0.261
  223    HA   GLU  29           HA       GLU  29  20.663  18.179  -2.030
  224    HB2  GLU  29           HB2      GLU  29  19.285  18.096  -0.107
  225    HB3  GLU  29           HB3      GLU  29  20.897  17.591   0.365
  226    HG2  GLU  29           HG2      GLU  29  21.294  19.914   1.289
  227    HG3  GLU  29           HG3      GLU  29  19.617  20.302   0.922
  228    H    GLN  30           H        GLN  30  21.504  21.422  -0.882
  229    HA   GLN  30           HA       GLN  30  19.143  22.749  -1.903
  230    HB2  GLN  30           HB2      GLN  30  21.950  23.774  -1.300
  231    HB3  GLN  30           HB3      GLN  30  20.583  24.795  -1.767
  232    HG2  GLN  30           HG2      GLN  30  19.300  23.993   0.215
  233    HG3  GLN  30           HG3      GLN  30  20.682  23.022   0.715
  234   HE21  GLN  30          HE22      GLN  30  19.963  24.621   2.665
  235   HE22  GLN  30          HE21      GLN  30  20.966  26.065   2.744
  236    H    GLN  31           H        GLN  31  22.377  22.009  -3.367
  237    HA   GLN  31           HA       GLN  31  21.829  23.239  -5.916
  238    HB2  GLN  31           HB2      GLN  31  23.631  20.957  -5.044
  239    HB3  GLN  31           HB3      GLN  31  23.556  21.513  -6.714
  240    HG2  GLN  31           HG2      GLN  31  24.380  23.674  -6.186
  241    HG3  GLN  31           HG3      GLN  31  24.183  23.443  -4.457
  242   HE21  GLN  31          HE22      GLN  31  26.635  24.294  -5.036
  243   HE22  GLN  31          HE21      GLN  31  27.791  22.974  -5.027
  244    H    PHE  32           H        PHE  32  21.105  19.912  -4.671
  245    HA   PHE  32           HA       PHE  32  20.047  19.020  -7.199
  246    HB2  PHE  32           HB2      PHE  32  20.911  17.629  -5.274
  247    HB3  PHE  32           HB3      PHE  32  19.409  17.950  -4.430
  248    HD1  PHE  32           HD2      PHE  32  18.548  17.481  -7.915
  249    HD2  PHE  32           HD1      PHE  32  19.883  15.329  -4.415
  250    HE1  PHE  32           HE2      PHE  32  17.606  15.405  -8.829
  251    HE2  PHE  32           HE1      PHE  32  18.986  13.236  -5.384
  252    HZ   PHE  32           HZ       PHE  32  17.803  13.272  -7.568
  253    H    LEU  33           H        LEU  33  18.417  20.476  -4.322
  254    HA   LEU  33           HA       LEU  33  15.783  20.488  -5.430
  255    HB2  LEU  33           HB2      LEU  33  16.424  20.865  -3.077
  256    HB3  LEU  33           HB3      LEU  33  17.116  22.422  -3.495
  257    HG   LEU  33           HG       LEU  33  14.930  22.500  -2.353
  258   HD11  LEU  33          HD11      LEU  33  13.914  24.238  -3.598
  259   HD12  LEU  33          HD12      LEU  33  15.665  24.373  -3.856
  260   HD13  LEU  33          HD13      LEU  33  14.617  23.693  -5.125
  261   HD21  LEU  33          HD21      LEU  33  12.856  21.957  -3.480
  262   HD22  LEU  33          HD22      LEU  33  13.728  21.379  -4.914
  263   HD23  LEU  33          HD23      LEU  33  13.879  20.512  -3.363
  264    H    GLU  34           H        GLU  34  18.346  22.983  -5.694
  265    HA   GLU  34           HA       GLU  34  16.837  24.724  -7.366
  266    HB2  GLU  34           HB2      GLU  34  18.871  25.346  -6.100
  267    HB3  GLU  34           HB3      GLU  34  19.858  24.360  -7.192
  268    HG2  GLU  34           HG2      GLU  34  19.235  25.804  -9.090
  269    HG3  GLU  34           HG3      GLU  34  18.138  26.724  -8.059
  270    H    ALA  35           H        ALA  35  19.019  22.035  -8.286
  271    HA   ALA  35           HA       ALA  35  18.781  22.428 -11.115
  272    HB1  ALA  35           HB1      ALA  35  19.698  20.135 -11.242
  273    HB2  ALA  35           HB2      ALA  35  20.574  21.118 -10.054
  274    HB3  ALA  35           HB3      ALA  35  19.396  19.897  -9.508
  275    H    MET  36           H        MET  36  16.819  20.393  -8.848
  276    HA   MET  36           HA       MET  36  15.078  19.366 -10.933
  277    HB2  MET  36           HB2      MET  36  14.787  19.633  -7.911
  278    HB3  MET  36           HB3      MET  36  13.569  18.870  -8.934
  279    HG2  MET  36           HG2      MET  36  16.474  17.989  -8.899
  280    HG3  MET  36           HG3      MET  36  15.262  17.303  -7.837
  281    HE1  MET  36           HE1      MET  36  13.080  15.089 -10.045
  282    HE2  MET  36           HE2      MET  36  13.621  15.536  -8.405
  283    HE3  MET  36           HE3      MET  36  12.679  16.681  -9.375
  284    H    GLU  37           H        GLU  37  14.811  22.257  -8.796
  285    HA   GLU  37           HA       GLU  37  12.267  23.089  -9.811
  286    HB2  GLU  37           HB2      GLU  37  13.531  23.875  -7.710
  287    HB3  GLU  37           HB3      GLU  37  14.514  24.865  -8.786
  288    HG2  GLU  37           HG2      GLU  37  12.933  26.357  -8.013
  289    HG3  GLU  37           HG3      GLU  37  12.252  25.903  -9.569
  290    H    SER  38           H        SER  38  15.603  23.795 -10.937
  291    HA   SER  38           HA       SER  38  14.809  25.635 -13.013
  292    HB2  SER  38           HB2      SER  38  17.363  23.997 -12.739
  293    HB3  SER  38           HB3      SER  38  17.118  25.402 -13.801
  294    HG   SER  38           HG       SER  38  17.156  25.302 -10.965
  295    H    THR  39           H        THR  39  14.935  22.122 -12.943
  296    HA   THR  39           HA       THR  39  14.744  21.980 -15.927
  297    HB   THR  39           HB       THR  39  15.305  19.598 -15.668
  298    HG1  THR  39           HG1      THR  39  15.955  20.181 -12.998
  299   HG21  THR  39          HG21      THR  39  17.269  21.508 -14.325
  300   HG22  THR  39          HG22      THR  39  17.657  19.891 -14.937
  301   HG23  THR  39          HG23      THR  39  17.134  21.168 -16.055
  302    H    GLY  40           H        GLY  40  12.548  22.158 -13.462
  303    HA2  GLY  40           HA2      GLY  40  10.277  21.747 -13.455
  304    HA3  GLY  40           HA3      GLY  40  10.389  21.109 -15.098
  305    H    GLY  41           H        GLY  41  12.312  19.846 -12.402
  306    HA2  GLY  41           HA2      GLY  41  12.185  17.920 -11.165
  307    HA3  GLY  41           HA3      GLY  41  10.540  17.646 -11.740
  308    H    ARG  42           H        ARG  42  12.864  17.918 -14.346
  309    HA   ARG  42           HA       ARG  42  12.598  15.010 -14.928
  310    HB2  ARG  42           HB2      ARG  42  13.750  17.380 -16.420
  311    HB3  ARG  42           HB3      ARG  42  14.190  15.721 -16.825
  312    HG2  ARG  42           HG2      ARG  42  11.558  15.298 -16.791
  313    HG3  ARG  42           HG3      ARG  42  11.484  17.049 -17.042
  314    HD2  ARG  42           HD2      ARG  42  12.850  16.812 -19.086
  315    HD3  ARG  42           HD3      ARG  42  13.194  15.126 -18.672
  316    HE   ARG  42           HE       ARG  42  11.196  14.454 -19.577
  317   HH11  ARG  42          HH22      ARG  42  10.872  17.946 -19.242
  318   HH12  ARG  42          HH21      ARG  42   9.372  17.949 -20.123
  319   HH21  ARG  42          HH11      ARG  42   9.354  14.532 -20.634
  320   HH22  ARG  42          HH12      ARG  42   8.509  16.041 -20.887
  321    H    VAL  43           H        VAL  43  13.671  13.837 -13.443
  322    HA   VAL  43           HA       VAL  43  16.068  14.587 -12.166
  323    HB   VAL  43           HB       VAL  43  14.645  12.904 -11.258
  324   HG11  VAL  43          HG11      VAL  43  14.586  10.588 -12.060
  325   HG12  VAL  43          HG12      VAL  43  13.894  11.688 -13.253
  326   HG13  VAL  43          HG13      VAL  43  15.537  11.027 -13.486
  327   HG21  VAL  43          HG21      VAL  43  16.317  11.299 -10.486
  328   HG22  VAL  43          HG22      VAL  43  17.391  11.701 -11.825
  329   HG23  VAL  43          HG23      VAL  43  17.026  12.920 -10.581
  330    H    ARG  44           H        ARG  44  15.778  12.922 -15.335
  331    HA   ARG  44           HA       ARG  44  18.568  12.355 -15.614
  332    HB2  ARG  44           HB2      ARG  44  18.124  11.989 -17.929
  333    HB3  ARG  44           HB3      ARG  44  16.836  11.311 -16.949
  334    HG2  ARG  44           HG2      ARG  44  15.432  13.395 -17.529
  335    HG3  ARG  44           HG3      ARG  44  16.690  13.807 -18.700
  336    HD2  ARG  44           HD2      ARG  44  15.210  11.159 -18.635
  337    HD3  ARG  44           HD3      ARG  44  14.702  12.545 -19.617
  338    HE   ARG  44           HE       ARG  44  17.311  12.172 -20.399
  339   HH11  ARG  44          HH22      ARG  44  14.562   9.941 -20.274
  340   HH12  ARG  44          HH21      ARG  44  15.037   9.207 -21.801
  341   HH21  ARG  44          HH12      ARG  44  17.914  10.973 -22.203
  342   HH22  ARG  44          HH11      ARG  44  16.897   9.663 -22.740
  343    H    ILE  45           H        ILE  45  16.781  15.326 -16.410
  344    HA   ILE  45           HA       ILE  45  19.160  16.621 -17.561
  345    HB   ILE  45           HB       ILE  45  16.532  17.927 -16.777
  346   HG12  ILE  45          HG12      ILE  45  17.380  16.683 -19.437
  347   HG13  ILE  45          HG13      ILE  45  16.084  16.113 -18.391
  348   HG21  ILE  45          HG21      ILE  45  17.246  19.713 -18.301
  349   HG22  ILE  45          HG22      ILE  45  18.552  19.453 -17.164
  350   HG23  ILE  45          HG23      ILE  45  18.677  18.785 -18.796
  351   HD11  ILE  45          HD11      ILE  45  14.878  18.292 -18.752
  352   HD12  ILE  45          HD12      ILE  45  16.096  18.690 -19.991
  353   HD13  ILE  45          HD13      ILE  45  15.068  17.270 -20.197
  354    H    ALA  46           H        ALA  46  17.450  16.578 -14.418
  355    HA   ALA  46           HA       ALA  46  19.025  18.593 -13.168
  356    HB1  ALA  46           HB1      ALA  46  18.152  17.677 -11.086
  357    HB2  ALA  46           HB2      ALA  46  16.863  17.719 -12.303
  358    HB3  ALA  46           HB3      ALA  46  17.660  16.179 -11.892
  359    H    ILE  47           H        ILE  47  19.561  14.965 -13.225
  360    HA   ILE  47           HA       ILE  47  22.088  15.264 -11.869
  361    HB   ILE  47           HB       ILE  47  22.597  13.008 -12.369
  362   HG12  ILE  47          HG12      ILE  47  20.189  12.962 -14.216
  363   HG13  ILE  47          HG13      ILE  47  21.876  12.800 -14.690
  364   HG21  ILE  47          HG21      ILE  47  19.648  13.201 -11.653
  365   HG22  ILE  47          HG22      ILE  47  20.827  12.000 -11.102
  366   HG23  ILE  47          HG23      ILE  47  20.963  13.684 -10.574
  367   HD11  ILE  47          HD11      ILE  47  22.010  10.678 -13.355
  368   HD12  ILE  47          HD12      ILE  47  20.261  10.802 -13.047
  369   HD13  ILE  47          HD13      ILE  47  20.862  10.619 -14.704
  370    H    ALA  48           H        ALA  48  21.314  15.259 -15.405
  371    HA   ALA  48           HA       ALA  48  23.986  15.489 -16.309
  372    HB1  ALA  48           HB1      ALA  48  22.929  16.616 -18.256
  373    HB2  ALA  48           HB2      ALA  48  22.014  15.180 -17.751
  374    HB3  ALA  48           HB3      ALA  48  21.423  16.796 -17.325
  375    H    LYS  49           H        LYS  49  21.792  18.107 -15.141
  376    HA   LYS  49           HA       LYS  49  23.661  20.269 -15.432
  377    HB2  LYS  49           HB2      LYS  49  21.116  20.347 -15.180
  378    HB3  LYS  49           HB3      LYS  49  21.345  20.021 -13.464
  379    HG2  LYS  49           HG2      LYS  49  21.071  22.349 -13.656
  380    HG3  LYS  49           HG3      LYS  49  22.806  22.129 -13.377
  381    HD2  LYS  49           HD2      LYS  49  23.211  22.406 -15.843
  382    HD3  LYS  49           HD3      LYS  49  21.458  22.602 -16.082
  383    HE2  LYS  49           HE2      LYS  49  21.516  24.535 -14.484
  384    HE3  LYS  49           HE3      LYS  49  23.283  24.360 -14.396
  385    HZ1  LYS  49           HZ1      LYS  49  21.759  24.978 -16.890
  386    HZ2  LYS  49           HZ2      LYS  49  22.606  26.069 -16.017
  387    HZ3  LYS  49           HZ3      LYS  49  23.396  24.867 -16.787
  388    H    LEU  50           H        LEU  50  22.909  18.185 -12.588
  389    HA   LEU  50           HA       LEU  50  24.808  19.429 -10.838
  390    HB2  LEU  50           HB2      LEU  50  23.584  16.639 -10.866
  391    HB3  LEU  50           HB3      LEU  50  24.598  17.247  -9.570
  392    HG   LEU  50           HG       LEU  50  21.888  18.385 -10.321
  393   HD11  LEU  50          HD11      LEU  50  21.204  17.387  -8.188
  394   HD12  LEU  50          HD12      LEU  50  21.855  16.141  -9.250
  395   HD13  LEU  50          HD13      LEU  50  22.842  16.771  -7.915
  396   HD21  LEU  50          HD21      LEU  50  23.230  20.196  -9.450
  397   HD22  LEU  50          HD22      LEU  50  22.120  19.642  -8.197
  398   HD23  LEU  50          HD23      LEU  50  23.829  19.168  -8.123
  399    H    LEU  51           H        LEU  51  25.252  16.724 -13.166
  400    HA   LEU  51           HA       LEU  51  28.001  16.243 -12.362
  401    HB2  LEU  51           HB2      LEU  51  26.399  15.615 -14.877
  402    HB3  LEU  51           HB3      LEU  51  28.077  15.122 -14.677
  403    HG   LEU  51           HG       LEU  51  25.913  14.307 -12.709
  404   HD11  LEU  51          HD11      LEU  51  25.868  12.142 -13.870
  405   HD12  LEU  51          HD12      LEU  51  25.354  13.446 -14.952
  406   HD13  LEU  51          HD13      LEU  51  26.991  12.757 -15.104
  407   HD21  LEU  51          HD21      LEU  51  27.503  12.528 -12.111
  408   HD22  LEU  51          HD22      LEU  51  28.682  13.165 -13.277
  409   HD23  LEU  51          HD23      LEU  51  28.235  14.121 -11.853
  410    H    SER  52           H        SER  52  26.526  18.348 -14.857
  411    HA   SER  52           HA       SER  52  29.104  19.174 -15.911
  412    HB2  SER  52           HB2      SER  52  26.372  20.449 -16.295
  413    HB3  SER  52           HB3      SER  52  27.828  20.751 -17.254
  414    HG   SER  52           HG       SER  52  26.297  18.360 -17.091
  415    H    LYS  53           H        LYS  53  26.963  20.550 -13.446
  416    HA   LYS  53           HA       LYS  53  26.947  22.449 -12.210
  417    HB2  LYS  53           HB2      LYS  53  29.965  22.084 -12.105
  418    HB3  LYS  53           HB3      LYS  53  28.924  22.894 -10.919
  419    HG2  LYS  53           HG2      LYS  53  27.686  20.716 -10.652
  420    HG3  LYS  53           HG3      LYS  53  28.962  19.954 -11.636
  421    HD2  LYS  53           HD2      LYS  53  30.649  20.852  -9.970
  422    HD3  LYS  53           HD3      LYS  53  29.298  21.326  -8.934
  423    HE2  LYS  53           HE2      LYS  53  29.989  18.492  -9.857
  424    HE3  LYS  53           HE3      LYS  53  30.342  19.161  -8.265
  425    HZ1  LYS  53           HZ1      LYS  53  28.331  17.797  -8.240
  426    HZ2  LYS  53           HZ2      LYS  53  27.920  19.341  -7.876
  427    HZ3  LYS  53           HZ3      LYS  53  27.623  18.701  -9.375
  428    H    GLN  54           H        GLN  54  26.927  23.012 -14.970
  429    HA   GLN  54           HA       GLN  54  28.739  25.292 -15.283
  430    HB2  GLN  54           HB2      GLN  54  28.455  25.097 -17.662
  431    HB3  GLN  54           HB3      GLN  54  28.899  23.570 -16.927
  432    HG2  GLN  54           HG2      GLN  54  27.349  22.941 -18.522
  433    HG3  GLN  54           HG3      GLN  54  26.398  22.920 -17.047
  434   HE21  GLN  54          HE22      GLN  54  27.148  24.954 -19.951
  435   HE22  GLN  54          HE21      GLN  54  25.579  25.744 -19.944
  436    H    THR  55           H        THR  55  28.053  27.230 -16.511
  437    HA   THR  55           HA       THR  55  25.331  28.198 -15.726
  438    HB   THR  55           HB       THR  55  26.360  30.450 -15.613
  439    HG1  THR  55           HG1      THR  55  28.623  30.582 -15.541
  440   HG21  THR  55          HG21      THR  55  27.480  30.156 -13.464
  441   HG22  THR  55          HG22      THR  55  26.089  29.066 -13.559
  442   HG23  THR  55          HG23      THR  55  27.736  28.426 -13.782
  443    H    SER  56           H        SER  56  24.411  29.906 -17.067
  444    HA   SER  56           HA       SER  56  25.209  29.848 -19.939
  445    HB2  SER  56           HB2      SER  56  22.867  29.443 -20.571
  446    HB3  SER  56           HB3      SER  56  23.563  28.089 -19.667
  447    HG   SER  56           HG       SER  56  21.432  28.674 -18.941
  448    H    GLY  57           H        GLY  57  24.114  31.457 -21.268
  449    HA2  GLY  57           HA2      GLY  57  23.214  33.519 -21.745
  450    HA3  GLY  57           HA3      GLY  57  22.743  33.704 -20.059
  451    H    GLY  58           H        GLY  58  26.047  33.105 -20.029
  452    HA2  GLY  58           HA2      GLY  58  26.716  35.851 -19.361
  453    HA3  GLY  58           HA3      GLY  58  27.803  34.466 -19.378
  454    H    SER  59           H        SER  59  26.804  34.148 -22.367
  455    HA   SER  59           HA       SER  59  28.379  36.313 -23.675
  456    HB2  SER  59           HB2      SER  59  28.791  33.326 -24.115
  457    HB3  SER  59           HB3      SER  59  29.473  34.612 -25.122
  458    HG   SER  59           HG       SER  59  30.013  34.125 -22.361
  459    H    GLY  60           H        GLY  60  27.929  36.628 -25.885
  460    HA2  GLY  60           HA2      GLY  60  25.228  35.980 -26.821
  461    HA3  GLY  60           HA3      GLY  60  26.453  36.933 -27.656
  462    H    GLY  61           H        GLY  61  25.369  35.614 -29.443
  463    HA2  GLY  61           HA2      GLY  61  25.802  34.189 -31.203
  464    HA3  GLY  61           HA3      GLY  61  27.254  33.628 -30.378
  465    H    SER  62           H        SER  62  24.101  33.338 -28.822
  466    HA   SER  62           HA       SER  62  24.320  30.477 -28.532
  467    HB2  SER  62           HB2      SER  62  22.114  30.674 -27.420
  468    HB3  SER  62           HB3      SER  62  23.321  31.806 -26.789
  469    HG   SER  62           HG       SER  62  21.279  32.822 -27.156
  470    H    LYS  63           H        LYS  63  22.689  28.917 -29.121
  471    HA   LYS  63           HA       LYS  63  21.392  29.356 -31.780
  472    HB2  LYS  63           HB2      LYS  63  23.616  28.315 -31.987
  473    HB3  LYS  63           HB3      LYS  63  23.140  26.993 -30.934
  474    HG2  LYS  63           HG2      LYS  63  21.562  27.568 -33.464
  475    HG3  LYS  63           HG3      LYS  63  23.141  26.792 -33.573
  476    HD2  LYS  63           HD2      LYS  63  22.406  24.992 -32.036
  477    HD3  LYS  63           HD3      LYS  63  20.780  25.663 -32.005
  478    HE2  LYS  63           HE2      LYS  63  22.269  24.646 -34.475
  479    HE3  LYS  63           HE3      LYS  63  21.054  23.746 -33.569
  480    HZ1  LYS  63           HZ1      LYS  63  20.555  26.249 -35.107
  481    HZ2  LYS  63           HZ2      LYS  63  20.019  24.757 -35.474
  482    HZ3  LYS  63           HZ3      LYS  63  19.427  25.528 -34.151
  483    H    LEU  64           H        LEU  64  19.488  28.352 -32.146
  484    HA   LEU  64           HA       LEU  64  18.143  26.999 -29.833
  485    HB2  LEU  64           HB2      LEU  64  17.003  28.878 -31.937
  486    HB3  LEU  64           HB3      LEU  64  16.067  28.088 -30.671
  487    HG   LEU  64           HG       LEU  64  18.271  30.143 -30.198
  488   HD11  LEU  64          HD11      LEU  64  16.430  31.626 -29.542
  489   HD12  LEU  64          HD12      LEU  64  16.245  31.103 -31.223
  490   HD13  LEU  64          HD13      LEU  64  15.243  30.366 -29.953
  491   HD21  LEU  64          HD21      LEU  64  16.336  28.819 -28.243
  492   HD22  LEU  64          HD22      LEU  64  18.103  28.616 -28.276
  493   HD23  LEU  64          HD23      LEU  64  17.409  30.185 -27.867
  494    H    GLY  65           H        GLY  65  16.390  25.561 -30.325
  495    HA2  GLY  65           HA2      GLY  65  17.033  23.616 -32.384
  496    HA3  GLY  65           HA3      GLY  65  15.734  23.524 -31.193
  497    H    GLY  66           H        GLY  66  16.364  25.921 -33.807
  498    HA2  GLY  66           HA2      GLY  66  15.062  26.634 -35.595
  499    HA3  GLY  66           HA3      GLY  66  14.212  25.086 -35.537
  500    H    SER  67           H        SER  67  12.113  25.732 -35.683
  501    HA   SER  67           HA       SER  67  10.925  27.231 -33.408
  502    HB2  SER  67           HB2      SER  67  11.397  28.779 -35.379
  503    HB3  SER  67           HB3      SER  67  10.196  27.846 -36.292
  504    HG   SER  67           HG       SER  67   9.341  29.743 -35.191
  505    H    GLY  68           H        GLY  68   8.335  27.213 -34.116
  506    HA2  GLY  68           HA2      GLY  68   7.487  24.386 -34.107
  507    HA3  GLY  68           HA3      GLY  68   6.443  25.805 -34.024
  508    H    GLY  69           H        GLY  69   6.635  23.270 -35.827
  509    HA2  GLY  69           HA2      GLY  69   5.862  22.776 -37.939
  510    HA3  GLY  69           HA3      GLY  69   5.602  24.493 -38.232
  511    H    SER  70           H        SER  70   8.868  23.806 -37.376
  512    HA   SER  70           HA       SER  70   9.745  23.452 -40.202
  513    HB2  SER  70           HB2      SER  70  11.540  25.029 -39.905
  514    HB3  SER  70           HB3      SER  70   9.988  25.818 -39.607
  515    HG   SER  70           HG       SER  70  11.588  26.370 -38.049
  516    H    ARG  71           H        ARG  71  12.011  22.680 -40.394
  517    HA   ARG  71           HA       ARG  71  12.262  20.263 -38.811
  518    HB2  ARG  71           HB2      ARG  71  12.627  20.386 -41.250
  519    HB3  ARG  71           HB3      ARG  71  14.053  21.398 -40.997
  520    HG2  ARG  71           HG2      ARG  71  15.187  19.548 -39.815
  521    HG3  ARG  71           HG3      ARG  71  13.725  18.550 -39.942
  522    HD2  ARG  71           HD2      ARG  71  13.890  18.598 -42.401
  523    HD3  ARG  71           HD3      ARG  71  15.316  19.627 -42.320
  524    HE   ARG  71           HE       ARG  71  15.117  16.740 -41.705
  525   HH11  ARG  71          HH21      ARG  71  17.260  19.526 -41.609
  526   HH12  ARG  71          HH22      ARG  71  18.682  18.533 -41.443
  527   HH21  ARG  71          HH11      ARG  71  16.969  15.548 -41.491
  528   HH22  ARG  71          HH12      ARG  71  18.515  16.336 -41.383
  529    H    LYS  72           H        LYS  72  13.734  19.642 -37.352
  530    HA   LYS  72           HA       LYS  72  16.190  21.124 -36.848
  531    HB2  LYS  72           HB2      LYS  72  15.977  21.541 -34.558
  532    HB3  LYS  72           HB3      LYS  72  14.572  22.253 -35.308
  533    HG2  LYS  72           HG2      LYS  72  14.627  19.601 -33.780
  534    HG3  LYS  72           HG3      LYS  72  14.167  21.143 -33.100
  535    HD2  LYS  72           HD2      LYS  72  12.679  19.586 -35.236
  536    HD3  LYS  72           HD3      LYS  72  12.191  19.825 -33.571
  537    HE2  LYS  72           HE2      LYS  72  12.408  22.039 -35.663
  538    HE3  LYS  72           HE3      LYS  72  10.926  21.207 -35.213
  539    HZ1  LYS  72           HZ1      LYS  72  12.548  22.928 -33.391
  540    HZ2  LYS  72           HZ2      LYS  72  11.073  23.271 -34.025
  541    HZ3  LYS  72           HZ3      LYS  72  11.222  22.068 -32.921
  542    H    ASP  73           H        ASP  73  17.677  19.952 -35.392
  543    HA   ASP  73           HA       ASP  73  17.737  17.146 -36.162
  544    HB2  ASP  73           HB2      ASP  73  19.736  18.519 -36.218
  545    HB3  ASP  73           HB3      ASP  73  19.612  18.848 -34.490
  546    H    LEU  74           H        LEU  74  16.379  15.803 -35.169
  547    HA   LEU  74           HA       LEU  74  16.835  15.098 -32.387
  548    HB2  LEU  74           HB2      LEU  74  14.469  15.195 -31.701
  549    HB3  LEU  74           HB3      LEU  74  15.181  16.757 -32.005
  550    HG   LEU  74           HG       LEU  74  13.967  16.911 -34.183
  551   HD11  LEU  74          HD11      LEU  74  12.653  14.314 -33.256
  552   HD12  LEU  74          HD12      LEU  74  11.978  15.392 -34.495
  553   HD13  LEU  74          HD13      LEU  74  13.515  14.601 -34.793
  554   HD21  LEU  74          HD21      LEU  74  12.228  16.349 -31.745
  555   HD22  LEU  74          HD22      LEU  74  13.072  17.873 -32.092
  556   HD23  LEU  74          HD23      LEU  74  11.774  17.321 -33.163
  557    H    SER  75           H        SER  75  15.366  13.128 -31.809
  558    HA   SER  75           HA       SER  75  14.924  11.367 -34.192
  559    HB2  SER  75           HB2      SER  75  16.882  10.650 -32.846
  560    HB3  SER  75           HB3      SER  75  15.819  10.477 -31.431
  561    HG   SER  75           HG       SER  75  16.122   8.492 -32.645
  562    H    VAL  76           H        VAL  76  12.908  10.591 -34.407
  563    HA   VAL  76           HA       VAL  76  10.880  11.540 -32.503
  564    HB   VAL  76           HB       VAL  76   9.213  10.745 -34.150
  565   HG11  VAL  76          HG11      VAL  76  10.020  13.049 -34.099
  566   HG12  VAL  76          HG12      VAL  76  11.330  12.641 -35.233
  567   HG13  VAL  76          HG13      VAL  76   9.632  12.535 -35.748
  568   HG21  VAL  76          HG21      VAL  76   9.870  10.144 -36.407
  569   HG22  VAL  76          HG22      VAL  76  11.590  10.193 -35.977
  570   HG23  VAL  76          HG23      VAL  76  10.522   8.962 -35.265
  571    H    LYS  77           H        LYS  77   9.265  10.397 -31.596
  572    HA   LYS  77           HA       LYS  77   8.455   8.854 -30.133
  573    HB2  LYS  77           HB2      LYS  77   9.056   6.929 -32.410
  574    HB3  LYS  77           HB3      LYS  77   7.931   6.650 -31.080
  575    HG2  LYS  77           HG2      LYS  77   6.588   8.619 -31.802
  576    HG3  LYS  77           HG3      LYS  77   7.672   8.830 -33.194
  577    HD2  LYS  77           HD2      LYS  77   7.093   6.557 -33.999
  578    HD3  LYS  77           HD3      LYS  77   5.999   6.343 -32.613
  579    HE2  LYS  77           HE2      LYS  77   4.671   8.307 -33.360
  580    HE3  LYS  77           HE3      LYS  77   5.755   8.521 -34.741
  581    HZ1  LYS  77           HZ1      LYS  77   3.759   7.279 -35.374
  582    HZ2  LYS  77           HZ2      LYS  77   5.064   6.311 -35.539
  583    HZ3  LYS  77           HZ3      LYS  77   4.054   6.120 -34.266
  584    H    GLY  78           H        GLY  78  11.547   9.130 -30.119
  585    HA2  GLY  78           HA2      GLY  78  12.410   6.587 -28.903
  586    HA3  GLY  78           HA3      GLY  78  13.396   8.012 -29.195
  587    H    MET  79           H        MET  79  13.784   6.732 -26.915
  588    HA   MET  79           HA       MET  79  12.193   7.716 -24.698
  589    HB2  MET  79           HB2      MET  79  13.614   6.355 -23.317
  590    HB3  MET  79           HB3      MET  79  13.066   5.448 -24.713
  591    HG2  MET  79           HG2      MET  79  15.829   6.710 -24.457
  592    HG3  MET  79           HG3      MET  79  15.438   5.050 -24.040
  593    HE1  MET  79           HE1      MET  79  17.466   4.214 -25.509
  594    HE2  MET  79           HE2      MET  79  17.696   4.662 -27.212
  595    HE3  MET  79           HE3      MET  79  17.830   5.901 -25.946
  596    H    LEU  80           H        LEU  80  13.192   9.930 -26.069
  597    HA   LEU  80           HA       LEU  80  15.676  10.901 -24.879
  598    HB2  LEU  80           HB2      LEU  80  13.636  12.004 -26.837
  599    HB3  LEU  80           HB3      LEU  80  14.881  13.029 -26.158
  600    HG   LEU  80           HG       LEU  80  16.654  11.549 -27.048
  601   HD11  LEU  80          HD11      LEU  80  15.481   9.407 -27.309
  602   HD12  LEU  80          HD12      LEU  80  14.362  10.147 -28.494
  603   HD13  LEU  80          HD13      LEU  80  16.092   9.955 -28.868
  604   HD21  LEU  80          HD21      LEU  80  15.884  13.551 -28.270
  605   HD22  LEU  80          HD22      LEU  80  16.394  12.274 -29.386
  606   HD23  LEU  80          HD23      LEU  80  14.661  12.569 -29.116
  607    H    TYR  81           H        TYR  81  12.278  11.372 -24.123
  608    HA   TYR  81           HA       TYR  81  12.969  13.576 -22.212
  609    HB2  TYR  81           HB2      TYR  81  10.393  13.223 -23.765
  610    HB3  TYR  81           HB3      TYR  81  10.880  14.613 -22.811
  611    HD1  TYR  81           HD1      TYR  81  13.134  15.805 -23.534
  612    HD2  TYR  81           HD2      TYR  81  10.776  13.253 -26.098
  613    HE1  TYR  81           HE1      TYR  81  14.202  16.830 -25.542
  614    HE2  TYR  81           HE2      TYR  81  11.847  14.274 -28.094
  615    HH   TYR  81           HH       TYR  81  13.343  15.830 -28.879
  616    H    ASP  82           H        ASP  82  12.244  10.443 -21.880
  617    HA   ASP  82           HA       ASP  82  10.145  10.755 -19.795
  618    HB2  ASP  82           HB2      ASP  82   9.862   9.041 -21.530
  619    HB3  ASP  82           HB3      ASP  82  11.387   8.290 -21.060
  620    H    SER  83           H        SER  83  10.449  10.343 -17.634
  621    HA   SER  83           HA       SER  83  12.665   8.847 -16.601
  622    HB2  SER  83           HB2      SER  83  13.751  10.510 -15.234
  623    HB3  SER  83           HB3      SER  83  13.834  11.018 -16.911
  624    HG   SER  83           HG       SER  83  12.032  12.427 -16.484
  625    H    ASP  84           H        ASP  84  12.588   8.858 -14.086
  626    HA   ASP  84           HA       ASP  84   9.855   8.574 -13.120
  627    HB2  ASP  84           HB2      ASP  84  12.538   8.341 -11.706
  628    HB3  ASP  84           HB3      ASP  84  10.977   7.903 -11.007
  629    H    SER  85           H        SER  85  10.194  11.189 -13.963
  630    HA   SER  85           HA       SER  85  11.285  13.115 -12.322
  631    HB2  SER  85           HB2      SER  85   9.719  14.688 -13.495
  632    HB3  SER  85           HB3      SER  85  10.577  13.575 -14.573
  633    HG   SER  85           HG       SER  85   8.334  13.687 -15.091
  634    H    GLN  86           H        GLN  86   7.782  12.203 -12.223
  635    HA   GLN  86           HA       GLN  86   7.250  14.145 -10.203
  636    HB2  GLN  86           HB2      GLN  86   5.629  11.724 -11.100
  637    HB3  GLN  86           HB3      GLN  86   5.028  12.995 -10.023
  638    HG2  GLN  86           HG2      GLN  86   5.448  14.703 -11.788
  639    HG3  GLN  86           HG3      GLN  86   5.976  13.434 -12.896
  640   HE21  GLN  86          HE22      GLN  86   4.327  11.753 -13.543
  641   HE22  GLN  86          HE21      GLN  86   2.632  12.211 -13.493
  642    H    GLN  87           H        GLN  87   7.789  10.591  -9.820
  643    HA   GLN  87           HA       GLN  87   7.306  10.645  -6.989
  644    HB2  GLN  87           HB2      GLN  87   7.158   8.597  -8.315
  645    HB3  GLN  87           HB3      GLN  87   8.869   8.696  -8.726
  646    HG2  GLN  87           HG2      GLN  87   8.486   7.013  -7.016
  647    HG3  GLN  87           HG3      GLN  87   9.493   8.293  -6.377
  648   HE21  GLN  87          HE22      GLN  87   8.452   9.857  -4.789
  649   HE22  GLN  87          HE21      GLN  87   7.025   9.292  -3.921
  650    H    ILE  88           H        ILE  88  10.347  10.956  -8.905
  651    HA   ILE  88           HA       ILE  88  12.027  11.202  -6.553
  652    HB   ILE  88           HB       ILE  88  12.484  12.037  -9.439
  653   HG12  ILE  88          HG12      ILE  88  12.230   9.571  -9.073
  654   HG13  ILE  88          HG13      ILE  88  13.793  10.051  -9.698
  655   HG21  ILE  88          HG21      ILE  88  13.967  13.393  -8.091
  656   HG22  ILE  88          HG22      ILE  88  14.421  12.013  -7.081
  657   HG23  ILE  88          HG23      ILE  88  14.931  12.090  -8.775
  658   HD11  ILE  88          HD11      ILE  88  13.925   8.263  -7.983
  659   HD12  ILE  88          HD12      ILE  88  14.850   9.698  -7.518
  660   HD13  ILE  88          HD13      ILE  88  13.265   9.372  -6.771
  661    H    LEU  89           H        LEU  89  10.424  13.713  -8.654
  662    HA   LEU  89           HA       LEU  89  11.471  15.906  -7.156
  663    HB2  LEU  89           HB2      LEU  89  10.351  16.124  -9.389
  664    HB3  LEU  89           HB3      LEU  89   8.833  15.583  -8.686
  665    HG   LEU  89           HG       LEU  89   8.786  17.643  -7.244
  666   HD11  LEU  89          HD11      LEU  89  10.252  19.535  -7.852
  667   HD12  LEU  89          HD12      LEU  89  11.203  18.192  -7.203
  668   HD13  LEU  89          HD13      LEU  89  11.153  18.502  -8.966
  669   HD21  LEU  89          HD21      LEU  89   8.992  18.158 -10.230
  670   HD22  LEU  89          HD22      LEU  89   7.562  17.553  -9.376
  671   HD23  LEU  89          HD23      LEU  89   8.164  19.177  -9.037
  672    H    ASN  90           H        ASN  90   8.403  14.051  -6.656
  673    HA   ASN  90           HA       ASN  90   7.519  15.513  -4.415
  674    HB2  ASN  90           HB2      ASN  90   6.137  13.868  -5.591
  675    HB3  ASN  90           HB3      ASN  90   7.212  12.551  -5.120
  676   HD21  ASN  90          HD22      ASN  90   4.853  14.944  -3.855
  677   HD22  ASN  90          HD21      ASN  90   4.543  14.048  -2.383
  678    H    ARG  91           H        ARG  91   9.599  12.475  -4.317
  679    HA   ARG  91           HA       ARG  91   9.875  12.814  -1.460
  680    HB2  ARG  91           HB2      ARG  91  10.093  10.602  -2.490
  681    HB3  ARG  91           HB3      ARG  91  11.531  11.117  -3.370
  682    HG2  ARG  91           HG2      ARG  91  12.155   9.769  -1.408
  683    HG3  ARG  91           HG3      ARG  91  12.759  11.413  -1.230
  684    HD2  ARG  91           HD2      ARG  91  10.665  11.872   0.212
  685    HD3  ARG  91           HD3      ARG  91  10.394  10.120   0.175
  686    HE   ARG  91           HE       ARG  91  13.100  10.705   1.024
  687   HH11  ARG  91          HH21      ARG  91   9.838  10.928   2.333
  688   HH12  ARG  91          HH22      ARG  91  10.431  10.941   3.972
  689   HH21  ARG  91          HH11      ARG  91  13.748  10.707   3.019
  690   HH22  ARG  91          HH12      ARG  91  12.632  10.824   4.378
  691    H    LEU  92           H        LEU  92  11.897  14.011  -4.144
  692    HA   LEU  92           HA       LEU  92  14.084  14.873  -2.483
  693    HB2  LEU  92           HB2      LEU  92  14.168  14.466  -4.904
  694    HB3  LEU  92           HB3      LEU  92  13.054  15.786  -5.210
  695    HG   LEU  92           HG       LEU  92  15.372  16.197  -5.804
  696   HD11  LEU  92          HD11      LEU  92  15.559  18.416  -5.130
  697   HD12  LEU  92          HD12      LEU  92  13.820  18.083  -5.263
  698   HD13  LEU  92          HD13      LEU  92  14.611  18.184  -3.661
  699   HD21  LEU  92          HD21      LEU  92  17.078  16.709  -4.115
  700   HD22  LEU  92          HD22      LEU  92  15.966  16.255  -2.814
  701   HD23  LEU  92          HD23      LEU  92  16.528  15.031  -3.982
  702    H    ARG  93           H        ARG  93  11.214  16.674  -3.739
  703    HA   ARG  93           HA       ARG  93  11.912  19.142  -2.428
  704    HB2  ARG  93           HB2      ARG  93  10.301  18.750  -4.398
  705    HB3  ARG  93           HB3      ARG  93   9.091  18.273  -3.194
  706    HG2  ARG  93           HG2      ARG  93   9.408  20.547  -2.103
  707    HG3  ARG  93           HG3      ARG  93  10.578  20.939  -3.368
  708    HD2  ARG  93           HD2      ARG  93   8.643  20.391  -5.042
  709    HD3  ARG  93           HD3      ARG  93   7.590  20.519  -3.635
  710    HE   ARG  93           HE       ARG  93   8.098  22.834  -3.417
  711   HH11  ARG  93          HH11      ARG  93   9.658  21.541  -6.297
  712   HH12  ARG  93          HH12      ARG  93   9.995  23.149  -6.917
  713   HH21  ARG  93          HH21      ARG  93   8.702  24.841  -4.279
  714   HH22  ARG  93          HH22      ARG  93   9.644  24.870  -5.761
  715    H    GLU  94           H        GLU  94   9.867  16.383  -1.347
  716    HA   GLU  94           HA       GLU  94   9.215  17.572   1.195
  717    HB2  GLU  94           HB2      GLU  94   9.436  14.677   0.294
  718    HB3  GLU  94           HB3      GLU  94   8.839  15.163   1.884
  719    HG2  GLU  94           HG2      GLU  94   7.603  16.143  -0.721
  720    HG3  GLU  94           HG3      GLU  94   7.068  14.695   0.122
  721    H    ARG  95           H        ARG  95  11.970  15.419   0.270
  722    HA   ARG  95           HA       ARG  95  13.153  15.210   2.833
  723    HB2  ARG  95           HB2      ARG  95  13.660  13.874   0.764
  724    HB3  ARG  95           HB3      ARG  95  14.527  15.264   0.104
  725    HG2  ARG  95           HG2      ARG  95  16.101  15.081   2.114
  726    HG3  ARG  95           HG3      ARG  95  15.215  13.608   2.560
  727    HD2  ARG  95           HD2      ARG  95  15.749  13.104  -0.091
  728    HD3  ARG  95           HD3      ARG  95  17.148  14.101   0.323
  729    HE   ARG  95           HE       ARG  95  16.280  11.538   1.654
  730   HH11  ARG  95          HH21      ARG  95  19.092  13.590   0.854
  731   HH12  ARG  95          HH22      ARG  95  20.162  12.249   1.282
  732   HH21  ARG  95          HH11      ARG  95  17.796  10.057   2.181
  733   HH22  ARG  95          HH12      ARG  95  19.512  10.493   2.004
  734    H    VAL  96           H        VAL  96  13.700  17.709   0.316
  735    HA   VAL  96           HA       VAL  96  15.682  19.065   2.019
  736    HB   VAL  96           HB       VAL  96  14.651  19.828  -0.732
  737   HG11  VAL  96          HG11      VAL  96  16.823  21.119  -0.819
  738   HG12  VAL  96          HG12      VAL  96  15.671  21.767   0.354
  739   HG13  VAL  96          HG13      VAL  96  17.046  20.782   0.906
  740   HG21  VAL  96          HG21      VAL  96  17.106  18.271   0.179
  741   HG22  VAL  96          HG22      VAL  96  15.789  17.648  -0.819
  742   HG23  VAL  96          HG23      VAL  96  16.866  18.879  -1.479
  743    H    SER  97           H        SER  97  12.337  19.742   0.941
  744    HA   SER  97           HA       SER  97  12.337  22.226   2.610
  745    HB2  SER  97           HB2      SER  97  10.942  21.804  -0.046
  746    HB3  SER  97           HB3      SER  97  11.022  23.299   0.911
  747    HG   SER  97           HG       SER  97  12.594  23.407  -0.692
  748    H    GLY  98           H        GLY  98  10.875  19.215   2.725
  749    HA2  GLY  98           HA2      GLY  98   8.109  19.789   2.790
  750    HA3  GLY  98           HA3      GLY  98   8.911  18.467   3.645
  751    H    SER  99           H        SER  99  10.519  20.521   5.246
  752    HA   SER  99           HA       SER  99   8.603  21.008   7.405
  753    HB2  SER  99           HB2      SER  99  10.631  21.776   8.616
  754    HB3  SER  99           HB3      SER  99  10.774  20.142   7.951
  755    HG   SER  99           HG       SER  99  12.652  21.413   7.526
  756    H    THR 100           H        THR 100   9.751  22.903   4.727
  757    HA   THR 100           HA       THR 100   8.962  25.464   6.085
  758    HB   THR 100           HB       THR 100  10.528  26.578   4.548
  759    HG1  THR 100           HG1      THR 100  12.000  25.307   3.400
  760   HG21  THR 100          HG21      THR 100  12.589  25.940   5.660
  761   HG22  THR 100          HG22      THR 100  11.264  25.904   6.837
  762   HG23  THR 100          HG23      THR 100  11.896  24.384   6.165
  763    H    ALA 101           H        ALA 101   8.503  23.523   3.159
  764    HA   ALA 101           HA       ALA 101   7.278  25.485   1.540
  765    HB1  ALA 101           HB1      ALA 101   6.452  23.537   0.269
  766    HB2  ALA 101           HB2      ALA 101   8.142  23.325   0.749
  767    HB3  ALA 101           HB3      ALA 101   6.855  22.466   1.632
  768    H    GLN 102           H        GLN 102   5.930  23.926   4.352
  769    HA   GLN 102           HA       GLN 102   3.135  24.311   3.737
  770    HB2  GLN 102           HB2      GLN 102   4.096  22.694   5.384
  771    HB3  GLN 102           HB3      GLN 102   4.544  24.047   6.430
  772    HG2  GLN 102           HG2      GLN 102   2.164  24.634   6.712
  773    HG3  GLN 102           HG3      GLN 102   1.694  23.389   5.547
  774   HE21  GLN 102          HE22      GLN 102   3.202  23.853   8.803
  775   HE22  GLN 102          HE21      GLN 102   2.743  22.255   9.370
  776    H    SER 103           H        SER 103   5.644  26.517   4.867
  777    HA   SER 103           HA       SER 103   3.877  28.420   6.147
  778    HB2  SER 103           HB2      SER 103   6.741  28.734   5.183
  779    HB3  SER 103           HB3      SER 103   5.865  29.862   6.230
  780    HG   SER 103           HG       SER 103   7.152  28.409   7.458
  781    H    ALA 104           H        ALA 104   3.325  30.502   5.491
  782    HA   ALA 104           HA       ALA 104   3.672  31.346   2.680
  783    HB1  ALA 104           HB1      ALA 104   1.258  31.769   2.433
  784    HB2  ALA 104           HB2      ALA 104   1.577  30.046   2.699
  785    HB3  ALA 104           HB3      ALA 104   0.950  31.051   4.026
  Start of MODEL   18
    1    H1   SER   1           H1       SER   1  -5.551  -6.345  -8.889
    2    H2   SER   1           H2       SER   1  -4.948  -4.830  -8.719
    3    H3   SER   1           H3       SER   1  -5.748  -5.242 -10.087
    4    HA   SER   1           HA       SER   1  -4.053  -6.843 -10.684
    5    HB2  SER   1           HB2      SER   1  -2.944  -4.044 -10.219
    6    HB3  SER   1           HB3      SER   1  -2.327  -5.253 -11.363
    7    HG   SER   1           HG       SER   1  -3.753  -3.761 -12.380
    8    H    VAL   2           H        VAL   2  -1.882  -7.649 -10.369
    9    HA   VAL   2           HA       VAL   2  -0.704  -7.351  -7.644
   10    HB   VAL   2           HB       VAL   2  -0.217  -9.762  -7.570
   11   HG11  VAL   2          HG11      VAL   2  -2.148  -8.818  -6.349
   12   HG12  VAL   2          HG12      VAL   2  -3.201  -9.206  -7.729
   13   HG13  VAL   2          HG13      VAL   2  -2.397 -10.506  -6.828
   14   HG21  VAL   2          HG21      VAL   2  -0.428 -10.337  -9.975
   15   HG22  VAL   2          HG22      VAL   2  -1.436 -11.366  -8.950
   16   HG23  VAL   2          HG23      VAL   2  -2.181 -10.056  -9.885
   17    H    SER   3           H        SER   3   1.535  -8.076  -7.496
   18    HA   SER   3           HA       SER   3   3.057  -8.251 -10.030
   19    HB2  SER   3           HB2      SER   3   2.913  -5.824  -9.391
   20    HB3  SER   3           HB3      SER   3   3.760  -6.217  -7.881
   21    HG   SER   3           HG       SER   3   5.168  -5.520  -9.612
   22    H    ILE   4           H        ILE   4   5.335  -8.744  -9.638
   23    HA   ILE   4           HA       ILE   4   5.674 -10.690  -7.407
   24    HB   ILE   4           HB       ILE   4   7.287 -11.837  -8.684
   25   HG12  ILE   4          HG12      ILE   4   8.426 -10.070  -9.899
   26   HG13  ILE   4          HG13      ILE   4   7.962 -11.406 -10.926
   27   HG21  ILE   4          HG21      ILE   4   4.813 -11.339 -10.378
   28   HG22  ILE   4          HG22      ILE   4   5.899 -12.737 -10.473
   29   HG23  ILE   4          HG23      ILE   4   4.961 -12.445  -9.001
   30   HD11  ILE   4          HD11      ILE   4   6.643  -8.665 -10.864
   31   HD12  ILE   4          HD12      ILE   4   7.659  -9.352 -12.132
   32   HD13  ILE   4          HD13      ILE   4   6.060 -10.044 -11.834
   33    H    LEU   5           H        LEU   5   6.645  -7.563  -8.166
   34    HA   LEU   5           HA       LEU   5   8.590  -7.621  -6.003
   35    HB2  LEU   5           HB2      LEU   5  10.451  -6.754  -7.074
   36    HB3  LEU   5           HB3      LEU   5   9.960  -8.108  -8.066
   37    HG   LEU   5           HG       LEU   5   9.468  -5.157  -8.713
   38   HD11  LEU   5          HD11      LEU   5  11.467  -7.146  -9.855
   39   HD12  LEU   5          HD12      LEU   5  11.220  -5.475 -10.406
   40   HD13  LEU   5          HD13      LEU   5  11.844  -5.784  -8.778
   41   HD21  LEU   5          HD21      LEU   5   7.774  -6.545  -9.829
   42   HD22  LEU   5          HD22      LEU   5   8.953  -5.967 -11.006
   43   HD23  LEU   5          HD23      LEU   5   9.044  -7.643 -10.426
   44    H    ARG   6           H        ARG   6   9.083  -5.608  -5.097
   45    HA   ARG   6           HA       ARG   6   8.473  -3.638  -4.138
   46    HB2  ARG   6           HB2      ARG   6   8.127  -2.777  -7.036
   47    HB3  ARG   6           HB3      ARG   6   8.279  -1.692  -5.649
   48    HG2  ARG   6           HG2      ARG   6  10.515  -2.646  -5.131
   49    HG3  ARG   6           HG3      ARG   6  10.410  -3.655  -6.590
   50    HD2  ARG   6           HD2      ARG   6  10.231  -1.633  -7.999
   51    HD3  ARG   6           HD3      ARG   6  10.244  -0.613  -6.560
   52    HE   ARG   6           HE       ARG   6  12.546  -1.082  -6.175
   53   HH11  ARG   6          HH11      ARG   6  11.594  -2.611  -9.209
   54   HH12  ARG   6          HH12      ARG   6  13.262  -2.832  -9.664
   55   HH21  ARG   6          HH21      ARG   6  14.456  -1.351  -6.763
   56   HH22  ARG   6          HH22      ARG   6  14.911  -2.120  -8.290
   57    H    SER   7           H        SER   7   6.219  -5.558  -4.601
   58    HA   SER   7           HA       SER   7   3.825  -4.257  -5.206
   59    HB2  SER   7           HB2      SER   7   4.187  -6.548  -3.240
   60    HB3  SER   7           HB3      SER   7   2.734  -6.160  -4.184
   61    HG   SER   7           HG       SER   7   3.989  -7.838  -5.160
   62    H    SER   8           H        SER   8   5.615  -4.064  -2.196
   63    HA   SER   8           HA       SER   8   3.444  -2.988  -0.570
   64    HB2  SER   8           HB2      SER   8   5.277  -2.641   1.069
   65    HB3  SER   8           HB3      SER   8   5.215  -4.294   0.436
   66    HG   SER   8           HG       SER   8   7.360  -3.533   0.399
   67    H    VAL   9           H        VAL   9   5.360  -1.613  -3.024
   68    HA   VAL   9           HA       VAL   9   6.070   0.435  -3.608
   69    HB   VAL   9           HB       VAL   9   3.650   1.613  -2.213
   70   HG11  VAL   9          HG11      VAL   9   3.651   3.108  -4.179
   71   HG12  VAL   9          HG12      VAL   9   5.209   3.211  -3.358
   72   HG13  VAL   9          HG13      VAL   9   5.063   2.262  -4.848
   73   HG21  VAL   9          HG21      VAL   9   2.803  -0.341  -3.417
   74   HG22  VAL   9          HG22      VAL   9   2.385   1.121  -4.300
   75   HG23  VAL   9          HG23      VAL   9   3.735   0.112  -4.865
   76    H    ASN  10           H        ASN  10   7.566  -0.418  -1.663
   77    HA   ASN  10           HA       ASN  10   7.758   1.121   0.713
   78    HB2  ASN  10           HB2      ASN  10   8.714  -1.132   0.369
   79    HB3  ASN  10           HB3      ASN  10   9.874  -0.486  -0.791
   80   HD21  ASN  10          HD22      ASN  10  10.997  -1.883   1.157
   81   HD22  ASN  10          HD21      ASN  10  11.706  -0.830   2.372
   82    H    HIS  11           H        HIS  11   8.420   3.147   1.097
   83    HA   HIS  11           HA       HIS  11   9.377   4.899  -0.979
   84    HB2  HIS  11           HB2      HIS  11   9.395   6.590   0.754
   85    HB3  HIS  11           HB3      HIS  11   7.926   5.624   0.878
   86    HD2  HIS  11           HD2      HIS  11  11.114   6.532   2.788
   87    HE1  HIS  11           HE1      HIS  11   8.952   3.882   5.339
   88    HE2  HIS  11           HE2      HIS  11  10.933   5.475   5.201
   89    H    ARG  12           H        ARG  12  11.161   2.782   1.162
   90    HA   ARG  12           HA       ARG  12  13.588   4.221   1.368
   91    HB2  ARG  12           HB2      ARG  12  12.967   1.997   2.476
   92    HB3  ARG  12           HB3      ARG  12  13.350   1.227   0.924
   93    HG2  ARG  12           HG2      ARG  12  15.218   1.031   2.500
   94    HG3  ARG  12           HG3      ARG  12  15.674   1.939   1.075
   95    HD2  ARG  12           HD2      ARG  12  16.642   2.962   3.044
   96    HD3  ARG  12           HD3      ARG  12  15.462   4.068   2.343
   97    HE   ARG  12           HE       ARG  12  14.406   2.307   4.454
   98   HH11  ARG  12          HH11      ARG  12  15.908   5.484   3.943
   99   HH12  ARG  12          HH12      ARG  12  15.488   5.984   5.560
  100   HH21  ARG  12          HH21      ARG  12  13.864   3.093   6.442
  101   HH22  ARG  12          HH22      ARG  12  14.354   4.691   6.912
  102    H    GLU  13           H        GLU  13  12.272   2.445  -1.410
  103    HA   GLU  13           HA       GLU  13  14.671   2.357  -2.977
  104    HB2  GLU  13           HB2      GLU  13  11.727   2.487  -3.698
  105    HB3  GLU  13           HB3      GLU  13  13.002   2.212  -4.889
  106    HG2  GLU  13           HG2      GLU  13  12.517   0.426  -2.469
  107    HG3  GLU  13           HG3      GLU  13  11.822   0.142  -4.059
  108    H    VAL  14           H        VAL  14  12.103   4.857  -2.689
  109    HA   VAL  14           HA       VAL  14  13.294   6.703  -4.595
  110    HB   VAL  14           HB       VAL  14  11.367   7.317  -2.320
  111   HG11  VAL  14          HG11      VAL  14  12.399   9.325  -3.474
  112   HG12  VAL  14          HG12      VAL  14  11.708   8.724  -4.998
  113   HG13  VAL  14          HG13      VAL  14  10.648   9.206  -3.667
  114   HG21  VAL  14          HG21      VAL  14   9.565   7.063  -4.007
  115   HG22  VAL  14          HG22      VAL  14  10.750   6.442  -5.172
  116   HG23  VAL  14          HG23      VAL  14  10.376   5.533  -3.690
  117    H    ASP  15           H        ASP  15  13.441   6.407  -1.024
  118    HA   ASP  15           HA       ASP  15  15.100   8.706  -0.514
  119    HB2  ASP  15           HB2      ASP  15  13.858   7.597   1.233
  120    HB3  ASP  15           HB3      ASP  15  14.658   6.061   0.900
  121    H    GLU  16           H        GLU  16  15.987   5.257  -1.079
  122    HA   GLU  16           HA       GLU  16  18.811   5.622  -0.965
  123    HB2  GLU  16           HB2      GLU  16  17.728   3.430  -0.738
  124    HB3  GLU  16           HB3      GLU  16  17.107   3.520  -2.387
  125    HG2  GLU  16           HG2      GLU  16  19.368   3.509  -3.312
  126    HG3  GLU  16           HG3      GLU  16  20.076   3.588  -1.694
  127    H    ALA  17           H        ALA  17  16.538   5.762  -3.778
  128    HA   ALA  17           HA       ALA  17  18.575   6.142  -5.718
  129    HB1  ALA  17           HB1      ALA  17  15.668   7.057  -5.695
  130    HB2  ALA  17           HB2      ALA  17  16.720   7.041  -7.128
  131    HB3  ALA  17           HB3      ALA  17  16.292   5.516  -6.331
  132    H    ILE  18           H        ILE  18  16.704   8.581  -3.800
  133    HA   ILE  18           HA       ILE  18  17.994  10.911  -4.862
  134    HB   ILE  18           HB       ILE  18  16.645  10.301  -2.216
  135   HG12  ILE  18          HG12      ILE  18  15.856  12.163  -4.502
  136   HG13  ILE  18          HG13      ILE  18  15.365  10.475  -4.434
  137   HG21  ILE  18          HG21      ILE  18  17.754  13.013  -3.095
  138   HG22  ILE  18          HG22      ILE  18  16.673  12.748  -1.712
  139   HG23  ILE  18          HG23      ILE  18  18.291  12.070  -1.686
  140   HD11  ILE  18          HD11      ILE  18  13.552  11.806  -3.629
  141   HD12  ILE  18          HD12      ILE  18  14.221  10.911  -2.246
  142   HD13  ILE  18          HD13      ILE  18  14.571  12.648  -2.457
  143    H    ASP  19           H        ASP  19  18.952   8.901  -1.989
  144    HA   ASP  19           HA       ASP  19  21.290  10.454  -1.399
  145    HB2  ASP  19           HB2      ASP  19  20.197   8.889   0.169
  146    HB3  ASP  19           HB3      ASP  19  20.656   7.524  -0.850
  147    H    ASN  20           H        ASN  20  20.889   7.557  -3.514
  148    HA   ASN  20           HA       ASN  20  23.646   7.279  -4.181
  149    HB2  ASN  20           HB2      ASN  20  21.932   5.534  -4.566
  150    HB3  ASN  20           HB3      ASN  20  21.125   6.561  -5.753
  151   HD21  ASN  20          HD21      ASN  20  24.158   4.749  -5.092
  152   HD22  ASN  20          HD22      ASN  20  24.597   4.623  -6.788
  153    H    ILE  21           H        ILE  21  21.060   9.236  -5.766
  154    HA   ILE  21           HA       ILE  21  22.736  10.310  -7.865
  155    HB   ILE  21           HB       ILE  21  20.132  11.186  -6.573
  156   HG12  ILE  21          HG12      ILE  21  20.687  10.417  -9.467
  157   HG13  ILE  21          HG13      ILE  21  20.382   9.185  -8.233
  158   HG21  ILE  21          HG21      ILE  21  21.080  13.298  -7.160
  159   HG22  ILE  21          HG22      ILE  21  21.775  12.655  -8.667
  160   HG23  ILE  21          HG23      ILE  21  20.027  12.889  -8.508
  161   HD11  ILE  21          HD11      ILE  21  18.313   9.669  -9.388
  162   HD12  ILE  21          HD12      ILE  21  18.191  10.216  -7.705
  163   HD13  ILE  21          HD13      ILE  21  18.447  11.398  -9.006
  164    H    LEU  22           H        LEU  22  21.864  11.539  -4.611
  165    HA   LEU  22           HA       LEU  22  23.293  13.967  -4.738
  166    HB2  LEU  22           HB2      LEU  22  21.532  13.288  -3.118
  167    HB3  LEU  22           HB3      LEU  22  22.646  12.131  -2.393
  168    HG   LEU  22           HG       LEU  22  24.098  14.016  -1.675
  169   HD11  LEU  22          HD11      LEU  22  21.805  15.746  -2.724
  170   HD12  LEU  22          HD12      LEU  22  23.163  16.304  -1.715
  171   HD13  LEU  22          HD13      LEU  22  23.465  15.721  -3.350
  172   HD21  LEU  22          HD21      LEU  22  22.398  13.081  -0.167
  173   HD22  LEU  22          HD22      LEU  22  22.589  14.821   0.105
  174   HD23  LEU  22          HD23      LEU  22  21.182  14.214  -0.806
  175    H    ARG  23           H        ARG  23  24.439  10.733  -3.659
  176    HA   ARG  23           HA       ARG  23  27.152  11.582  -3.121
  177    HB2  ARG  23           HB2      ARG  23  26.094   9.580  -2.121
  178    HB3  ARG  23           HB3      ARG  23  25.954   8.838  -3.713
  179    HG2  ARG  23           HG2      ARG  23  27.797   7.865  -2.483
  180    HG3  ARG  23           HG3      ARG  23  28.417   8.717  -3.895
  181    HD2  ARG  23           HD2      ARG  23  29.099  10.628  -2.479
  182    HD3  ARG  23           HD3      ARG  23  28.416   9.848  -1.054
  183    HE   ARG  23           HE       ARG  23  30.918   9.189  -2.471
  184   HH11  ARG  23          HH22      ARG  23  28.697   8.042  -0.001
  185   HH12  ARG  23          HH21      ARG  23  29.892   6.988   0.697
  186   HH21  ARG  23          HH12      ARG  23  32.369   7.813  -1.544
  187   HH22  ARG  23          HH11      ARG  23  31.912   6.845  -0.170
  188    H    TYR  24           H        TYR  24  25.675   9.983  -5.999
  189    HA   TYR  24           HA       TYR  24  28.045   9.707  -7.514
  190    HB2  TYR  24           HB2      TYR  24  26.018   8.538  -8.068
  191    HB3  TYR  24           HB3      TYR  24  25.115  10.039  -8.248
  192    HD1  TYR  24           HD1      TYR  24  28.188   8.381  -9.718
  193    HD2  TYR  24           HD2      TYR  24  24.614  10.709 -10.407
  194    HE1  TYR  24           HE1      TYR  24  28.651   8.372 -12.159
  195    HE2  TYR  24           HE2      TYR  24  25.075  10.669 -12.856
  196    HH   TYR  24           HH       TYR  24  27.951   9.051 -14.250
  197    H    THR  25           H        THR  25  25.746  12.477  -7.421
  198    HA   THR  25           HA       THR  25  27.340  14.046  -9.324
  199    HB   THR  25           HB       THR  25  25.761  15.857  -8.792
  200    HG1  THR  25           HG1      THR  25  24.352  14.022  -7.180
  201   HG21  THR  25          HG21      THR  25  23.685  14.836  -9.597
  202   HG22  THR  25          HG22      THR  25  25.088  14.290 -10.541
  203   HG23  THR  25          HG23      THR  25  24.350  13.213  -9.333
  204    H    ASN  26           H        ASN  26  27.797  13.386  -6.046
  205    HA   ASN  26           HA       ASN  26  28.631  14.396  -4.257
  206    HB2  ASN  26           HB2      ASN  26  30.865  15.264  -4.450
  207    HB3  ASN  26           HB3      ASN  26  30.637  13.874  -5.490
  208   HD21  ASN  26          HD22      ASN  26  30.587  17.469  -5.611
  209   HD22  ASN  26          HD21      ASN  26  31.347  17.557  -7.199
  210    H    SER  27           H        SER  27  26.392  15.721  -5.176
  211    HA   SER  27           HA       SER  27  26.895  18.642  -4.879
  212    HB2  SER  27           HB2      SER  27  24.676  18.900  -5.809
  213    HB3  SER  27           HB3      SER  27  25.603  17.784  -6.819
  214    HG   SER  27           HG       SER  27  24.338  16.158  -6.213
  215    H    THR  28           H        THR  28  24.817  19.757  -3.847
  216    HA   THR  28           HA       THR  28  24.234  18.501  -1.187
  217    HB   THR  28           HB       THR  28  23.539  20.704  -0.422
  218    HG1  THR  28           HG1      THR  28  23.930  22.504  -1.698
  219   HG21  THR  28          HG21      THR  28  25.721  21.788  -0.283
  220   HG22  THR  28          HG22      THR  28  25.917  20.034  -0.097
  221   HG23  THR  28          HG23      THR  28  26.334  20.814  -1.636
  222    H    GLU  29           H        GLU  29  22.053  18.437  -0.491
  223    HA   GLU  29           HA       GLU  29  20.235  17.711  -2.564
  224    HB2  GLU  29           HB2      GLU  29  18.558  17.515  -0.776
  225    HB3  GLU  29           HB3      GLU  29  20.035  16.635  -0.461
  226    HG2  GLU  29           HG2      GLU  29  19.668  19.394   0.752
  227    HG3  GLU  29           HG3      GLU  29  18.831  18.008   1.434
  228    H    GLN  30           H        GLN  30  20.626  20.844  -0.897
  229    HA   GLN  30           HA       GLN  30  18.287  22.013  -2.108
  230    HB2  GLN  30           HB2      GLN  30  19.161  24.138  -1.402
  231    HB3  GLN  30           HB3      GLN  30  19.312  22.946  -0.114
  232    HG2  GLN  30           HG2      GLN  30  21.746  22.693  -0.663
  233    HG3  GLN  30           HG3      GLN  30  21.578  23.946  -1.898
  234   HE21  GLN  30          HE22      GLN  30  20.953  26.187  -1.131
  235   HE22  GLN  30          HE21      GLN  30  21.381  26.622   0.519
  236    H    GLN  31           H        GLN  31  21.658  21.666  -3.331
  237    HA   GLN  31           HA       GLN  31  21.131  23.253  -5.734
  238    HB2  GLN  31           HB2      GLN  31  23.276  21.227  -4.992
  239    HB3  GLN  31           HB3      GLN  31  23.172  21.978  -6.586
  240    HG2  GLN  31           HG2      GLN  31  23.366  24.220  -5.615
  241    HG3  GLN  31           HG3      GLN  31  23.437  23.546  -3.988
  242   HE21  GLN  31          HE22      GLN  31  25.329  22.166  -3.438
  243   HE22  GLN  31          HE21      GLN  31  26.841  22.432  -4.315
  244    H    PHE  32           H        PHE  32  20.909  19.742  -4.938
  245    HA   PHE  32           HA       PHE  32  20.091  18.922  -7.550
  246    HB2  PHE  32           HB2      PHE  32  20.927  17.426  -5.781
  247    HB3  PHE  32           HB3      PHE  32  19.512  17.766  -4.803
  248    HD1  PHE  32           HD2      PHE  32  18.867  17.197  -8.420
  249    HD2  PHE  32           HD1      PHE  32  19.381  15.313  -4.568
  250    HE1  PHE  32           HE2      PHE  32  17.685  15.195  -9.240
  251    HE2  PHE  32           HE1      PHE  32  18.210  13.295  -5.416
  252    HZ   PHE  32           HZ       PHE  32  17.317  13.252  -7.737
  253    H    LEU  33           H        LEU  33  18.086  20.020  -4.725
  254    HA   LEU  33           HA       LEU  33  15.583  19.792  -6.063
  255    HB2  LEU  33           HB2      LEU  33  15.919  19.990  -3.646
  256    HB3  LEU  33           HB3      LEU  33  16.476  21.640  -3.818
  257    HG   LEU  33           HG       LEU  33  14.171  21.340  -2.902
  258   HD11  LEU  33          HD11      LEU  33  14.876  23.472  -3.993
  259   HD12  LEU  33          HD12      LEU  33  14.055  22.932  -5.477
  260   HD13  LEU  33          HD13      LEU  33  13.137  23.159  -3.991
  261   HD21  LEU  33          HD21      LEU  33  13.425  19.457  -4.333
  262   HD22  LEU  33          HD22      LEU  33  12.295  20.818  -4.348
  263   HD23  LEU  33          HD23      LEU  33  13.363  20.555  -5.731
  264    H    GLU  34           H        GLU  34  17.802  22.599  -5.841
  265    HA   GLU  34           HA       GLU  34  16.217  24.374  -7.398
  266    HB2  GLU  34           HB2      GLU  34  18.122  25.031  -5.969
  267    HB3  GLU  34           HB3      GLU  34  19.244  24.270  -7.105
  268    HG2  GLU  34           HG2      GLU  34  18.563  25.849  -8.869
  269    HG3  GLU  34           HG3      GLU  34  17.353  26.556  -7.799
  270    H    ALA  35           H        ALA  35  18.713  22.031  -8.470
  271    HA   ALA  35           HA       ALA  35  18.493  22.673 -11.259
  272    HB1  ALA  35           HB1      ALA  35  19.393  20.111  -9.871
  273    HB2  ALA  35           HB2      ALA  35  19.675  20.539 -11.578
  274    HB3  ALA  35           HB3      ALA  35  20.408  21.513 -10.297
  275    H    MET  36           H        MET  36  16.774  20.184  -9.255
  276    HA   MET  36           HA       MET  36  15.199  19.141 -11.423
  277    HB2  MET  36           HB2      MET  36  14.795  19.287  -8.407
  278    HB3  MET  36           HB3      MET  36  13.648  18.494  -9.487
  279    HG2  MET  36           HG2      MET  36  16.587  17.756  -9.483
  280    HG3  MET  36           HG3      MET  36  15.445  17.020  -8.374
  281    HE1  MET  36           HE1      MET  36  13.848  15.162  -8.863
  282    HE2  MET  36           HE2      MET  36  12.850  16.370  -9.705
  283    HE3  MET  36           HE3      MET  36  13.180  14.802 -10.472
  284    H    GLU  37           H        GLU  37  14.588  21.960  -9.246
  285    HA   GLU  37           HA       GLU  37  12.027  22.606 -10.395
  286    HB2  GLU  37           HB2      GLU  37  12.889  23.455  -8.229
  287    HB3  GLU  37           HB3      GLU  37  14.103  24.415  -9.084
  288    HG2  GLU  37           HG2      GLU  37  12.316  25.710 -10.193
  289    HG3  GLU  37           HG3      GLU  37  11.088  24.692  -9.440
  290    H    SER  38           H        SER  38  15.376  23.590 -11.288
  291    HA   SER  38           HA       SER  38  14.686  25.297 -13.458
  292    HB2  SER  38           HB2      SER  38  16.889  25.191 -12.352
  293    HB3  SER  38           HB3      SER  38  17.157  23.578 -13.020
  294    HG   SER  38           HG       SER  38  16.857  26.012 -14.489
  295    H    THR  39           H        THR  39  14.952  21.716 -13.376
  296    HA   THR  39           HA       THR  39  14.659  21.603 -16.337
  297    HB   THR  39           HB       THR  39  15.241  19.285 -16.176
  298    HG1  THR  39           HG1      THR  39  15.673  18.337 -14.190
  299   HG21  THR  39          HG21      THR  39  17.105  21.008 -14.504
  300   HG22  THR  39          HG22      THR  39  17.506  19.465 -15.245
  301   HG23  THR  39          HG23      THR  39  17.091  20.858 -16.262
  302    H    GLY  40           H        GLY  40  12.441  21.760 -13.856
  303    HA2  GLY  40           HA2      GLY  40  10.175  21.320 -13.833
  304    HA3  GLY  40           HA3      GLY  40  10.281  20.682 -15.480
  305    H    GLY  41           H        GLY  41  12.209  19.461 -12.765
  306    HA2  GLY  41           HA2      GLY  41  12.012  17.571 -11.467
  307    HA3  GLY  41           HA3      GLY  41  10.480  17.152 -12.239
  308    H    ARG  42           H        ARG  42  13.115  17.708 -14.484
  309    HA   ARG  42           HA       ARG  42  13.115  14.814 -15.172
  310    HB2  ARG  42           HB2      ARG  42  14.102  17.352 -16.500
  311    HB3  ARG  42           HB3      ARG  42  14.727  15.799 -17.031
  312    HG2  ARG  42           HG2      ARG  42  11.740  16.340 -16.856
  313    HG3  ARG  42           HG3      ARG  42  12.713  16.748 -18.280
  314    HD2  ARG  42           HD2      ARG  42  13.495  14.321 -18.334
  315    HD3  ARG  42           HD3      ARG  42  12.260  13.959 -17.130
  316    HE   ARG  42           HE       ARG  42  11.893  14.530 -19.972
  317   HH11  ARG  42          HH22      ARG  42  10.103  14.528 -16.937
  318   HH12  ARG  42          HH21      ARG  42   8.574  14.407 -17.757
  319   HH21  ARG  42          HH12      ARG  42   9.909  14.362 -20.923
  320   HH22  ARG  42          HH11      ARG  42   8.474  14.327 -19.944
  321    H    VAL  43           H        VAL  43  14.192  13.720 -13.665
  322    HA   VAL  43           HA       VAL  43  16.474  14.454 -12.224
  323    HB   VAL  43           HB       VAL  43  15.661  11.657 -13.108
  324   HG11  VAL  43          HG11      VAL  43  17.972  11.607 -12.224
  325   HG12  VAL  43          HG12      VAL  43  17.460  12.573 -10.818
  326   HG13  VAL  43          HG13      VAL  43  16.858  10.912 -11.053
  327   HG21  VAL  43          HG21      VAL  43  14.560  11.513 -10.917
  328   HG22  VAL  43          HG22      VAL  43  15.038  13.182 -10.541
  329   HG23  VAL  43          HG23      VAL  43  13.871  12.854 -11.843
  330    H    ARG  44           H        ARG  44  16.466  12.726 -15.413
  331    HA   ARG  44           HA       ARG  44  19.289  12.434 -15.558
  332    HB2  ARG  44           HB2      ARG  44  18.998  11.932 -17.862
  333    HB3  ARG  44           HB3      ARG  44  17.707  11.197 -16.931
  334    HG2  ARG  44           HG2      ARG  44  16.158  13.070 -17.676
  335    HG3  ARG  44           HG3      ARG  44  17.473  13.673 -18.697
  336    HD2  ARG  44           HD2      ARG  44  16.196  10.917 -18.907
  337    HD3  ARG  44           HD3      ARG  44  15.834  12.297 -19.937
  338    HE   ARG  44           HE       ARG  44  18.067  12.247 -20.852
  339   HH11  ARG  44          HH22      ARG  44  17.253   9.291 -19.128
  340   HH12  ARG  44          HH21      ARG  44  18.503   8.382 -19.931
  341   HH21  ARG  44          HH11      ARG  44  19.626  11.028 -21.823
  342   HH22  ARG  44          HH12      ARG  44  19.803   9.348 -21.423
  343    H    ILE  45           H        ILE  45  17.320  15.231 -16.493
  344    HA   ILE  45           HA       ILE  45  19.617  16.646 -17.659
  345    HB   ILE  45           HB       ILE  45  16.893  17.778 -16.973
  346   HG12  ILE  45          HG12      ILE  45  17.847  16.538 -19.595
  347   HG13  ILE  45          HG13      ILE  45  16.625  15.864 -18.525
  348   HG21  ILE  45          HG21      ILE  45  17.501  19.539 -18.586
  349   HG22  ILE  45          HG22      ILE  45  18.780  19.436 -17.391
  350   HG23  ILE  45          HG23      ILE  45  19.017  18.696 -18.981
  351   HD11  ILE  45          HD11      ILE  45  15.464  16.869 -20.325
  352   HD12  ILE  45          HD12      ILE  45  15.204  17.902 -18.906
  353   HD13  ILE  45          HD13      ILE  45  16.355  18.390 -20.176
  354    H    ALA  46           H        ALA  46  17.891  16.572 -14.522
  355    HA   ALA  46           HA       ALA  46  19.249  18.826 -13.384
  356    HB1  ALA  46           HB1      ALA  46  17.968  16.406 -12.033
  357    HB2  ALA  46           HB2      ALA  46  18.410  17.938 -11.246
  358    HB3  ALA  46           HB3      ALA  46  17.147  17.914 -12.488
  359    H    ILE  47           H        ILE  47  19.988  15.265 -13.183
  360    HA   ILE  47           HA       ILE  47  22.455  15.728 -11.767
  361    HB   ILE  47           HB       ILE  47  23.018  13.463 -12.076
  362   HG12  ILE  47          HG12      ILE  47  20.773  13.261 -14.107
  363   HG13  ILE  47          HG13      ILE  47  22.494  13.113 -14.441
  364   HG21  ILE  47          HG21      ILE  47  21.238  14.169 -10.452
  365   HG22  ILE  47          HG22      ILE  47  20.017  13.619 -11.610
  366   HG23  ILE  47          HG23      ILE  47  21.171  12.464 -10.934
  367   HD11  ILE  47          HD11      ILE  47  22.556  11.080 -12.951
  368   HD12  ILE  47          HD12      ILE  47  20.780  11.176 -12.844
  369   HD13  ILE  47          HD13      ILE  47  21.559  10.908 -14.410
  370    H    ALA  48           H        ALA  48  21.754  15.506 -15.310
  371    HA   ALA  48           HA       ALA  48  24.434  15.787 -16.167
  372    HB1  ALA  48           HB1      ALA  48  22.563  15.287 -17.659
  373    HB2  ALA  48           HB2      ALA  48  21.864  16.893 -17.373
  374    HB3  ALA  48           HB3      ALA  48  23.417  16.734 -18.223
  375    H    LYS  49           H        LYS  49  22.127  18.439 -15.241
  376    HA   LYS  49           HA       LYS  49  24.039  20.561 -15.726
  377    HB2  LYS  49           HB2      LYS  49  21.436  20.445 -14.139
  378    HB3  LYS  49           HB3      LYS  49  22.421  21.905 -14.289
  379    HG2  LYS  49           HG2      LYS  49  22.262  21.718 -16.797
  380    HG3  LYS  49           HG3      LYS  49  21.162  20.361 -16.596
  381    HD2  LYS  49           HD2      LYS  49  19.842  22.304 -17.031
  382    HD3  LYS  49           HD3      LYS  49  19.581  21.878 -15.328
  383    HE2  LYS  49           HE2      LYS  49  21.111  23.646 -14.587
  384    HE3  LYS  49           HE3      LYS  49  21.638  23.936 -16.248
  385    HZ1  LYS  49           HZ1      LYS  49  19.399  24.767 -16.759
  386    HZ2  LYS  49           HZ2      LYS  49  18.900  24.545 -15.208
  387    HZ3  LYS  49           HZ3      LYS  49  20.097  25.618 -15.549
  388    H    LEU  50           H        LEU  50  23.355  18.618 -12.816
  389    HA   LEU  50           HA       LEU  50  25.186  20.089 -11.108
  390    HB2  LEU  50           HB2      LEU  50  23.722  17.469 -11.067
  391    HB3  LEU  50           HB3      LEU  50  25.184  17.548 -10.107
  392    HG   LEU  50           HG       LEU  50  24.367  19.291  -8.720
  393   HD11  LEU  50          HD11      LEU  50  21.942  19.468 -10.545
  394   HD12  LEU  50          HD12      LEU  50  22.105  20.285  -8.974
  395   HD13  LEU  50          HD13      LEU  50  23.164  20.738 -10.313
  396   HD21  LEU  50          HD21      LEU  50  22.425  18.230  -7.720
  397   HD22  LEU  50          HD22      LEU  50  22.040  17.381  -9.238
  398   HD23  LEU  50          HD23      LEU  50  23.498  16.963  -8.318
  399    H    LEU  51           H        LEU  51  25.684  17.199 -13.228
  400    HA   LEU  51           HA       LEU  51  28.452  16.900 -12.521
  401    HB2  LEU  51           HB2      LEU  51  26.790  15.966 -14.892
  402    HB3  LEU  51           HB3      LEU  51  28.482  15.528 -14.685
  403    HG   LEU  51           HG       LEU  51  26.367  14.899 -12.579
  404   HD11  LEU  51          HD11      LEU  51  25.791  13.788 -14.697
  405   HD12  LEU  51          HD12      LEU  51  27.442  13.130 -14.814
  406   HD13  LEU  51          HD13      LEU  51  26.362  12.617 -13.502
  407   HD21  LEU  51          HD21      LEU  51  28.669  14.846 -11.714
  408   HD22  LEU  51          HD22      LEU  51  28.006  13.210 -11.835
  409   HD23  LEU  51          HD23      LEU  51  29.162  13.789 -13.058
  410    H    SER  52           H        SER  52  26.905  18.816 -15.142
  411    HA   SER  52           HA       SER  52  29.507  19.801 -16.095
  412    HB2  SER  52           HB2      SER  52  28.271  21.127 -17.619
  413    HB3  SER  52           HB3      SER  52  27.526  19.515 -17.592
  414    HG   SER  52           HG       SER  52  25.931  21.152 -17.474
  415    H    LYS  53           H        LYS  53  27.768  20.523 -13.339
  416    HA   LYS  53           HA       LYS  53  27.152  22.353 -12.159
  417    HB2  LYS  53           HB2      LYS  53  29.069  23.622 -11.281
  418    HB3  LYS  53           HB3      LYS  53  29.257  21.875 -11.254
  419    HG2  LYS  53           HG2      LYS  53  30.702  21.954 -13.264
  420    HG3  LYS  53           HG3      LYS  53  30.556  23.711 -13.308
  421    HD2  LYS  53           HD2      LYS  53  31.717  22.080 -11.012
  422    HD3  LYS  53           HD3      LYS  53  32.671  22.841 -12.292
  423    HE2  LYS  53           HE2      LYS  53  31.782  25.082 -11.611
  424    HE3  LYS  53           HE3      LYS  53  30.897  24.319 -10.283
  425    HZ1  LYS  53           HZ1      LYS  53  33.860  24.291 -10.600
  426    HZ2  LYS  53           HZ2      LYS  53  33.039  25.213  -9.535
  427    HZ3  LYS  53           HZ3      LYS  53  33.048  23.590  -9.362
  428    H    GLN  54           H        GLN  54  26.339  22.699 -14.733
  429    HA   GLN  54           HA       GLN  54  25.632  24.111 -16.302
  430    HB2  GLN  54           HB2      GLN  54  24.440  24.864 -14.183
  431    HB3  GLN  54           HB3      GLN  54  25.504  26.271 -14.183
  432    HG2  GLN  54           HG2      GLN  54  24.608  26.896 -16.456
  433    HG3  GLN  54           HG3      GLN  54  23.610  25.444 -16.446
  434   HE21  GLN  54          HE22      GLN  54  24.198  28.478 -14.532
  435   HE22  GLN  54          HE21      GLN  54  22.514  28.636 -14.055
  436    H    THR  55           H        THR  55  28.389  23.823 -16.386
  437    HA   THR  55           HA       THR  55  29.274  26.463 -17.511
  438    HB   THR  55           HB       THR  55  31.557  25.707 -17.321
  439    HG1  THR  55           HG1      THR  55  30.470  23.396 -16.076
  440   HG21  THR  55          HG21      THR  55  30.020  25.428 -14.719
  441   HG22  THR  55          HG22      THR  55  31.770  25.706 -14.876
  442   HG23  THR  55          HG23      THR  55  30.613  26.927 -15.444
  443    H    SER  56           H        SER  56  28.121  23.480 -18.617
  444    HA   SER  56           HA       SER  56  28.904  24.189 -21.362
  445    HB2  SER  56           HB2      SER  56  29.649  21.927 -21.927
  446    HB3  SER  56           HB3      SER  56  30.698  22.677 -20.719
  447    HG   SER  56           HG       SER  56  30.171  20.481 -20.204
  448    H    GLY  57           H        GLY  57  27.628  23.191 -23.000
  449    HA2  GLY  57           HA2      GLY  57  25.611  21.385 -23.007
  450    HA3  GLY  57           HA3      GLY  57  24.841  22.745 -22.188
  451    H    GLY  58           H        GLY  58  23.462  22.298 -24.213
  452    HA2  GLY  58           HA2      GLY  58  22.492  23.373 -25.993
  453    HA3  GLY  58           HA3      GLY  58  23.771  24.588 -25.930
  454    H    SER  59           H        SER  59  24.833  21.304 -26.396
  455    HA   SER  59           HA       SER  59  26.165  21.902 -28.811
  456    HB2  SER  59           HB2      SER  59  25.481  19.149 -27.713
  457    HB3  SER  59           HB3      SER  59  26.792  19.553 -28.837
  458    HG   SER  59           HG       SER  59  27.554  19.390 -26.672
  459    H    GLY  60           H        GLY  60  22.923  20.614 -28.389
  460    HA2  GLY  60           HA2      GLY  60  21.222  20.253 -29.910
  461    HA3  GLY  60           HA3      GLY  60  22.248  20.925 -31.171
  462    H    GLY  61           H        GLY  61  20.933  19.209 -32.310
  463    HA2  GLY  61           HA2      GLY  61  22.572  17.120 -33.238
  464    HA3  GLY  61           HA3      GLY  61  21.486  16.404 -32.044
  465    H    SER  62           H        SER  62  21.383  15.477 -34.584
  466    HA   SER  62           HA       SER  62  19.313  16.805 -36.170
  467    HB2  SER  62           HB2      SER  62  19.666  14.894 -37.700
  468    HB3  SER  62           HB3      SER  62  21.165  15.748 -37.287
  469    HG   SER  62           HG       SER  62  21.390  13.440 -37.164
  470    H    LYS  63           H        LYS  63  19.310  14.337 -33.719
  471    HA   LYS  63           HA       LYS  63  16.901  12.945 -34.485
  472    HB2  LYS  63           HB2      LYS  63  18.743  12.120 -32.918
  473    HB3  LYS  63           HB3      LYS  63  18.111  13.230 -31.704
  474    HG2  LYS  63           HG2      LYS  63  15.807  11.936 -32.175
  475    HG3  LYS  63           HG3      LYS  63  16.885  10.706 -32.848
  476    HD2  LYS  63           HD2      LYS  63  18.144  10.755 -30.638
  477    HD3  LYS  63           HD3      LYS  63  16.908  11.895 -30.040
  478    HE2  LYS  63           HE2      LYS  63  15.141  10.203 -30.448
  479    HE3  LYS  63           HE3      LYS  63  16.348   9.076 -31.081
  480    HZ1  LYS  63           HZ1      LYS  63  15.846   8.605 -28.749
  481    HZ2  LYS  63           HZ2      LYS  63  17.406   9.063 -28.879
  482    HZ3  LYS  63           HZ3      LYS  63  16.292  10.106 -28.284
  483    H    LEU  64           H        LEU  64  14.808  13.296 -34.017
  484    HA   LEU  64           HA       LEU  64  13.992  15.122 -31.849
  485    HB2  LEU  64           HB2      LEU  64  12.968  15.266 -34.729
  486    HB3  LEU  64           HB3      LEU  64  12.142  16.028 -33.377
  487    HG   LEU  64           HG       LEU  64  14.959  16.758 -34.287
  488   HD11  LEU  64          HD11      LEU  64  12.302  18.172 -34.747
  489   HD12  LEU  64          HD12      LEU  64  13.911  18.776 -35.203
  490   HD13  LEU  64          HD13      LEU  64  13.265  17.321 -35.975
  491   HD21  LEU  64          HD21      LEU  64  14.555  17.307 -31.899
  492   HD22  LEU  64          HD22      LEU  64  14.609  18.771 -32.882
  493   HD23  LEU  64          HD23      LEU  64  13.041  18.129 -32.340
  494    H    GLY  65           H        GLY  65  11.855  14.694 -31.052
  495    HA2  GLY  65           HA2      GLY  65  11.069  11.895 -31.097
  496    HA3  GLY  65           HA3      GLY  65  10.265  13.204 -30.240
  497    H    GLY  66           H        GLY  66   8.935  11.100 -31.562
  498    HA2  GLY  66           HA2      GLY  66   7.907  11.966 -34.157
  499    HA3  GLY  66           HA3      GLY  66   7.366  10.588 -33.207
  500    H    SER  67           H        SER  67   5.776  12.505 -34.668
  501    HA   SER  67           HA       SER  67   4.098  13.730 -32.517
  502    HB2  SER  67           HB2      SER  67   3.910  15.733 -33.932
  503    HB3  SER  67           HB3      SER  67   5.585  15.405 -33.469
  504    HG   SER  67           HG       SER  67   5.379  15.909 -35.721
  505    H    GLY  68           H        GLY  68   3.877  11.393 -34.807
  506    HA2  GLY  68           HA2      GLY  68   0.992  11.568 -34.980
  507    HA3  GLY  68           HA3      GLY  68   1.760  11.940 -36.526
  508    H    GLY  69           H        GLY  69   0.043   9.852 -36.353
  509    HA2  GLY  69           HA2      GLY  69   0.998   7.365 -35.447
  510    HA3  GLY  69           HA3      GLY  69  -0.326   7.613 -36.584
  511    H    SER  70           H        SER  70   2.103   8.929 -38.291
  512    HA   SER  70           HA       SER  70   2.730   6.590 -39.899
  513    HB2  SER  70           HB2      SER  70   4.177   8.195 -41.130
  514    HB3  SER  70           HB3      SER  70   2.503   8.744 -40.948
  515    HG   SER  70           HG       SER  70   4.030  10.415 -40.468
  516    H    ARG  71           H        ARG  71   4.067   7.823 -37.004
  517    HA   ARG  71           HA       ARG  71   6.514   6.115 -37.277
  518    HB2  ARG  71           HB2      ARG  71   7.078   8.495 -37.484
  519    HB3  ARG  71           HB3      ARG  71   6.243   8.860 -35.971
  520    HG2  ARG  71           HG2      ARG  71   7.890   7.597 -34.690
  521    HG3  ARG  71           HG3      ARG  71   8.681   7.028 -36.180
  522    HD2  ARG  71           HD2      ARG  71   9.378   9.267 -36.753
  523    HD3  ARG  71           HD3      ARG  71   8.381   9.964 -35.462
  524    HE   ARG  71           HE       ARG  71  10.303   8.096 -34.381
  525   HH11  ARG  71          HH11      ARG  71  10.268  11.352 -35.727
  526   HH12  ARG  71          HH12      ARG  71  11.532  11.880 -34.630
  527   HH21  ARG  71          HH21      ARG  71  11.962   8.899 -33.072
  528   HH22  ARG  71          HH22      ARG  71  12.438  10.577 -33.255
  529    H    LYS  72           H        LYS  72   7.149   4.977 -35.447
  530    HA   LYS  72           HA       LYS  72   5.001   4.342 -33.551
  531    HB2  LYS  72           HB2      LYS  72   6.455   2.696 -34.894
  532    HB3  LYS  72           HB3      LYS  72   7.715   3.007 -33.695
  533    HG2  LYS  72           HG2      LYS  72   6.126   2.218 -31.898
  534    HG3  LYS  72           HG3      LYS  72   4.876   2.009 -33.124
  535    HD2  LYS  72           HD2      LYS  72   5.805  -0.140 -32.601
  536    HD3  LYS  72           HD3      LYS  72   6.280   0.284 -34.251
  537    HE2  LYS  72           HE2      LYS  72   8.526   0.974 -33.432
  538    HE3  LYS  72           HE3      LYS  72   8.035   0.624 -31.770
  539    HZ1  LYS  72           HZ1      LYS  72   8.215  -1.398 -33.952
  540    HZ2  LYS  72           HZ2      LYS  72   9.291  -1.225 -32.737
  541    HZ3  LYS  72           HZ3      LYS  72   7.771  -1.721 -32.412
  542    H    ASP  73           H        ASP  73   5.845   6.892 -33.092
  543    HA   ASP  73           HA       ASP  73   6.649   6.800 -30.290
  544    HB2  ASP  73           HB2      ASP  73   8.855   6.880 -31.462
  545    HB3  ASP  73           HB3      ASP  73   8.344   8.349 -32.293
  546    H    LEU  74           H        LEU  74   5.818   8.516 -29.147
  547    HA   LEU  74           HA       LEU  74   4.714  10.900 -30.503
  548    HB2  LEU  74           HB2      LEU  74   3.091   8.972 -28.783
  549    HB3  LEU  74           HB3      LEU  74   2.577  10.615 -29.148
  550    HG   LEU  74           HG       LEU  74   2.997   8.443 -31.247
  551   HD11  LEU  74          HD11      LEU  74   0.444   9.586 -30.045
  552   HD12  LEU  74          HD12      LEU  74   0.546   8.406 -31.370
  553   HD13  LEU  74          HD13      LEU  74   1.100   7.960 -29.750
  554   HD21  LEU  74          HD21      LEU  74   1.753  10.010 -32.720
  555   HD22  LEU  74          HD22      LEU  74   1.767  11.238 -31.434
  556   HD23  LEU  74          HD23      LEU  74   3.285  10.706 -32.195
  557    H    SER  75           H        SER  75   4.570  12.707 -29.144
  558    HA   SER  75           HA       SER  75   6.325  12.920 -26.940
  559    HB2  SER  75           HB2      SER  75   5.214  15.120 -26.582
  560    HB3  SER  75           HB3      SER  75   5.675  14.831 -28.268
  561    HG   SER  75           HG       SER  75   3.516  15.655 -28.075
  562    H    VAL  76           H        VAL  76   2.877  12.157 -26.962
  563    HA   VAL  76           HA       VAL  76   2.687  12.103 -24.019
  564    HB   VAL  76           HB       VAL  76   0.331  11.517 -24.363
  565   HG11  VAL  76          HG11      VAL  76   1.034  13.881 -24.320
  566   HG12  VAL  76          HG12      VAL  76   1.195  13.871 -26.090
  567   HG13  VAL  76          HG13      VAL  76  -0.393  13.616 -25.335
  568   HG21  VAL  76          HG21      VAL  76  -0.680  11.476 -26.577
  569   HG22  VAL  76          HG22      VAL  76   0.889  11.712 -27.363
  570   HG23  VAL  76          HG23      VAL  76   0.543  10.203 -26.483
  571    H    LYS  77           H        LYS  77   4.069   9.960 -26.033
  572    HA   LYS  77           HA       LYS  77   4.509   7.712 -26.056
  573    HB2  LYS  77           HB2      LYS  77   4.486   8.267 -23.064
  574    HB3  LYS  77           HB3      LYS  77   5.309   6.924 -23.868
  575    HG2  LYS  77           HG2      LYS  77   6.713   8.535 -25.141
  576    HG3  LYS  77           HG3      LYS  77   5.918   9.873 -24.314
  577    HD2  LYS  77           HD2      LYS  77   8.047   9.459 -23.248
  578    HD3  LYS  77           HD3      LYS  77   6.730   9.092 -22.145
  579    HE2  LYS  77           HE2      LYS  77   8.405   7.414 -21.855
  580    HE3  LYS  77           HE3      LYS  77   7.008   6.650 -22.611
  581    HZ1  LYS  77           HZ1      LYS  77   9.121   5.984 -23.664
  582    HZ2  LYS  77           HZ2      LYS  77   8.206   6.772 -24.760
  583    HZ3  LYS  77           HZ3      LYS  77   9.477   7.524 -24.054
  584    H    GLY  78           H        GLY  78   1.650   7.999 -26.301
  585    HA2  GLY  78           HA2      GLY  78  -0.295   6.755 -26.189
  586    HA3  GLY  78           HA3      GLY  78   0.731   5.345 -25.896
  587    H    MET  79           H        MET  79   0.700   8.076 -23.669
  588    HA   MET  79           HA       MET  79   0.349   8.280 -21.507
  589    HB2  MET  79           HB2      MET  79  -2.057   8.001 -22.414
  590    HB3  MET  79           HB3      MET  79  -2.036   6.437 -21.593
  591    HG2  MET  79           HG2      MET  79  -1.551   7.619 -19.440
  592    HG3  MET  79           HG3      MET  79  -1.500   9.150 -20.312
  593    HE1  MET  79           HE1      MET  79  -3.692   6.277 -18.855
  594    HE2  MET  79           HE2      MET  79  -5.322   6.665 -19.445
  595    HE3  MET  79           HE3      MET  79  -4.092   6.074 -20.577
  596    H    LEU  80           H        LEU  80   2.023   5.959 -22.460
  597    HA   LEU  80           HA       LEU  80   2.089   4.359 -19.945
  598    HB2  LEU  80           HB2      LEU  80   1.855   3.062 -22.015
  599    HB3  LEU  80           HB3      LEU  80   3.291   3.836 -22.683
  600    HG   LEU  80           HG       LEU  80   4.687   2.801 -20.896
  601   HD11  LEU  80          HD11      LEU  80   2.102   1.375 -20.125
  602   HD12  LEU  80          HD12      LEU  80   3.726   0.930 -19.561
  603   HD13  LEU  80          HD13      LEU  80   3.036   2.487 -19.102
  604   HD21  LEU  80          HD21      LEU  80   4.388   1.696 -23.085
  605   HD22  LEU  80          HD22      LEU  80   4.587   0.511 -21.783
  606   HD23  LEU  80          HD23      LEU  80   2.970   0.826 -22.458
  607    H    TYR  81           H        TYR  81   3.594   4.824 -18.493
  608    HA   TYR  81           HA       TYR  81   6.117   6.213 -19.277
  609    HB2  TYR  81           HB2      TYR  81   4.301   6.955 -16.959
  610    HB3  TYR  81           HB3      TYR  81   5.866   7.671 -17.307
  611    HD1  TYR  81           HD2      TYR  81   6.189   9.008 -19.457
  612    HD2  TYR  81           HD1      TYR  81   2.308   7.763 -18.035
  613    HE1  TYR  81           HE2      TYR  81   5.098  10.739 -20.892
  614    HE2  TYR  81           HE1      TYR  81   1.228   9.496 -19.451
  615    HH   TYR  81           HH       TYR  81   1.549  11.228 -20.948
  616    H    ASP  82           H        ASP  82   7.903   5.866 -17.926
  617    HA   ASP  82           HA       ASP  82   7.745   3.747 -15.854
  618    HB2  ASP  82           HB2      ASP  82   8.000   2.643 -18.060
  619    HB3  ASP  82           HB3      ASP  82   9.465   3.576 -18.354
  620    H    SER  83           H        SER  83   8.069   6.156 -15.007
  621    HA   SER  83           HA       SER  83  10.905   6.361 -14.182
  622    HB2  SER  83           HB2      SER  83  10.671   7.846 -16.148
  623    HB3  SER  83           HB3      SER  83   9.365   8.722 -15.320
  624    HG   SER  83           HG       SER  83  11.586   9.612 -15.136
  625    H    ASP  84           H        ASP  84  11.246   7.440 -12.253
  626    HA   ASP  84           HA       ASP  84   8.878   7.745 -10.459
  627    HB2  ASP  84           HB2      ASP  84  11.818   7.301  -9.824
  628    HB3  ASP  84           HB3      ASP  84  10.545   7.521  -8.624
  629    H    SER  85           H        SER  85  10.279   9.788 -12.436
  630    HA   SER  85           HA       SER  85  11.696  11.786 -11.248
  631    HB2  SER  85           HB2      SER  85  10.638  13.305 -12.982
  632    HB3  SER  85           HB3      SER  85  11.243  11.771 -13.615
  633    HG   SER  85           HG       SER  85   9.135  12.211 -14.409
  634    H    GLN  86           H        GLN  86   8.093  11.750 -11.266
  635    HA   GLN  86           HA       GLN  86   7.855  14.198  -9.773
  636    HB2  GLN  86           HB2      GLN  86   5.869  11.924 -10.213
  637    HB3  GLN  86           HB3      GLN  86   5.472  13.490  -9.493
  638    HG2  GLN  86           HG2      GLN  86   6.234  14.638 -11.583
  639    HG3  GLN  86           HG3      GLN  86   6.522  13.064 -12.328
  640   HE21  GLN  86          HE22      GLN  86   4.592  11.616 -12.677
  641   HE22  GLN  86          HE21      GLN  86   3.015  12.377 -12.808
  642    H    GLN  87           H        GLN  87   8.014  10.781  -8.665
  643    HA   GLN  87           HA       GLN  87   7.387  11.549  -5.914
  644    HB2  GLN  87           HB2      GLN  87   6.868   9.302  -7.055
  645    HB3  GLN  87           HB3      GLN  87   8.580   8.920  -6.851
  646    HG2  GLN  87           HG2      GLN  87   7.356   7.955  -5.001
  647    HG3  GLN  87           HG3      GLN  87   8.297   9.296  -4.353
  648   HE21  GLN  87          HE22      GLN  87   4.967   8.281  -5.308
  649   HE22  GLN  87          HE21      GLN  87   4.179   9.525  -4.351
  650    H    ILE  88           H        ILE  88  10.366  10.909  -7.778
  651    HA   ILE  88           HA       ILE  88  12.248  11.247  -5.632
  652    HB   ILE  88           HB       ILE  88  12.412  11.843  -8.611
  653   HG12  ILE  88          HG12      ILE  88  12.130   9.428  -7.885
  654   HG13  ILE  88          HG13      ILE  88  13.520   9.793  -8.892
  655   HG21  ILE  88          HG21      ILE  88  14.102  13.256  -7.612
  656   HG22  ILE  88          HG22      ILE  88  14.653  11.951  -6.551
  657   HG23  ILE  88          HG23      ILE  88  14.914  11.851  -8.308
  658   HD11  ILE  88          HD11      ILE  88  13.965   8.179  -7.038
  659   HD12  ILE  88          HD12      ILE  88  15.041   9.584  -7.024
  660   HD13  ILE  88          HD13      ILE  88  13.693   9.480  -5.869
  661    H    LEU  89           H        LEU  89  10.769  13.703  -7.875
  662    HA   LEU  89           HA       LEU  89  11.902  15.948  -6.531
  663    HB2  LEU  89           HB2      LEU  89  10.876  16.070  -8.775
  664    HB3  LEU  89           HB3      LEU  89   9.308  15.650  -8.120
  665    HG   LEU  89           HG       LEU  89   9.156  17.771  -6.918
  666   HD11  LEU  89          HD11      LEU  89  11.908  18.378  -8.080
  667   HD12  LEU  89          HD12      LEU  89  10.849  19.568  -7.296
  668   HD13  LEU  89          HD13      LEU  89  11.505  18.235  -6.353
  669   HD21  LEU  89          HD21      LEU  89   9.021  19.270  -8.851
  670   HD22  LEU  89          HD22      LEU  89  10.040  18.174  -9.806
  671   HD23  LEU  89          HD23      LEU  89   8.424  17.660  -9.273
  672    H    ASN  90           H        ASN  90   8.718  14.328  -5.927
  673    HA   ASN  90           HA       ASN  90   7.862  16.086  -3.919
  674    HB2  ASN  90           HB2      ASN  90   6.490  14.305  -5.032
  675    HB3  ASN  90           HB3      ASN  90   7.385  13.080  -4.128
  676   HD21  ASN  90          HD22      ASN  90   5.691  12.265  -2.893
  677   HD22  ASN  90          HD21      ASN  90   4.795  13.263  -1.740
  678    H    ARG  91           H        ARG  91   9.803  13.049  -3.410
  679    HA   ARG  91           HA       ARG  91  10.006  13.570  -0.549
  680    HB2  ARG  91           HB2      ARG  91   9.985  11.333  -1.531
  681    HB3  ARG  91           HB3      ARG  91  11.539  11.611  -2.317
  682    HG2  ARG  91           HG2      ARG  91  12.707  11.695  -0.220
  683    HG3  ARG  91           HG3      ARG  91  11.214  11.903   0.701
  684    HD2  ARG  91           HD2      ARG  91  11.892   9.373  -0.857
  685    HD3  ARG  91           HD3      ARG  91  12.248   9.590   0.853
  686    HE   ARG  91           HE       ARG  91   9.599   9.173  -0.395
  687   HH11  ARG  91          HH12      ARG  91  11.179  10.095   2.611
  688   HH12  ARG  91          HH11      ARG  91   9.738   9.829   3.546
  689   HH21  ARG  91          HH21      ARG  91   7.773   8.951   0.868
  690   HH22  ARG  91          HH22      ARG  91   7.878   9.179   2.580
  691    H    LEU  92           H        LEU  92  12.097  14.427  -3.305
  692    HA   LEU  92           HA       LEU  92  14.270  15.427  -1.673
  693    HB2  LEU  92           HB2      LEU  92  14.438  14.844  -4.076
  694    HB3  LEU  92           HB3      LEU  92  13.316  16.143  -4.478
  695    HG   LEU  92           HG       LEU  92  14.989  17.812  -3.657
  696   HD11  LEU  92          HD11      LEU  92  16.276  16.427  -2.066
  697   HD12  LEU  92          HD12      LEU  92  16.822  15.387  -3.407
  698   HD13  LEU  92          HD13      LEU  92  17.327  17.089  -3.321
  699   HD21  LEU  92          HD21      LEU  92  15.921  15.829  -5.774
  700   HD22  LEU  92          HD22      LEU  92  14.851  17.229  -6.026
  701   HD23  LEU  92          HD23      LEU  92  16.548  17.469  -5.568
  702    H    ARG  93           H        ARG  93  11.240  16.919  -2.905
  703    HA   ARG  93           HA       ARG  93  11.798  19.583  -1.904
  704    HB2  ARG  93           HB2      ARG  93  10.220  19.063  -3.746
  705    HB3  ARG  93           HB3      ARG  93   9.210  18.165  -2.623
  706    HG2  ARG  93           HG2      ARG  93   9.084  20.475  -1.313
  707    HG3  ARG  93           HG3      ARG  93   9.679  21.159  -2.819
  708    HD2  ARG  93           HD2      ARG  93   7.202  21.275  -2.648
  709    HD3  ARG  93           HD3      ARG  93   7.731  20.323  -4.030
  710    HE   ARG  93           HE       ARG  93   6.528  18.568  -3.193
  711   HH11  ARG  93          HH11      ARG  93   7.134  20.551  -0.315
  712   HH12  ARG  93          HH12      ARG  93   6.617  19.212   0.719
  713   HH21  ARG  93          HH21      ARG  93   5.856  16.999  -1.647
  714   HH22  ARG  93          HH22      ARG  93   5.913  17.509   0.038
  715    H    GLU  94           H        GLU  94  10.025  16.766  -0.469
  716    HA   GLU  94           HA       GLU  94   9.369  18.088   1.988
  717    HB2  GLU  94           HB2      GLU  94  10.003  15.180   1.364
  718    HB3  GLU  94           HB3      GLU  94   9.459  15.724   2.945
  719    HG2  GLU  94           HG2      GLU  94   7.901  16.159   0.369
  720    HG3  GLU  94           HG3      GLU  94   7.656  14.788   1.444
  721    H    ARG  95           H        ARG  95  12.304  16.105   1.192
  722    HA   ARG  95           HA       ARG  95  13.582  16.519   3.701
  723    HB2  ARG  95           HB2      ARG  95  14.114  14.728   2.126
  724    HB3  ARG  95           HB3      ARG  95  14.759  15.882   0.954
  725    HG2  ARG  95           HG2      ARG  95  16.643  16.410   2.315
  726    HG3  ARG  95           HG3      ARG  95  15.925  15.686   3.764
  727    HD2  ARG  95           HD2      ARG  95  16.684  14.092   1.285
  728    HD3  ARG  95           HD3      ARG  95  17.758  14.327   2.680
  729    HE   ARG  95           HE       ARG  95  15.514  13.391   3.896
  730   HH11  ARG  95          HH11      ARG  95  17.469  11.959   1.306
  731   HH12  ARG  95          HH12      ARG  95  16.853  10.351   1.736
  732   HH21  ARG  95          HH21      ARG  95  14.948  11.246   4.317
  733   HH22  ARG  95          HH22      ARG  95  15.626  10.002   3.256
  734    H    VAL  96           H        VAL  96  13.784  18.519   0.753
  735    HA   VAL  96           HA       VAL  96  15.846  20.249   1.945
  736    HB   VAL  96           HB       VAL  96  14.380  20.291  -0.711
  737   HG11  VAL  96          HG11      VAL  96  16.642  22.094   0.269
  738   HG12  VAL  96          HG12      VAL  96  16.104  21.951  -1.419
  739   HG13  VAL  96          HG13      VAL  96  15.007  22.610  -0.219
  740   HG21  VAL  96          HG21      VAL  96  16.573  19.580  -1.570
  741   HG22  VAL  96          HG22      VAL  96  17.278  19.678   0.053
  742   HG23  VAL  96          HG23      VAL  96  16.061  18.444  -0.330
  743    H    SER  97           H        SER  97  12.385  20.617   1.053
  744    HA   SER  97           HA       SER  97  12.447  23.381   2.104
  745    HB2  SER  97           HB2      SER  97  10.389  22.089   0.310
  746    HB3  SER  97           HB3      SER  97  10.544  23.799   0.723
  747    HG   SER  97           HG       SER  97  11.528  23.467  -1.269
  748    H    GLY  98           H        GLY  98  11.220  20.294   3.167
  749    HA2  GLY  98           HA2      GLY  98   8.807  21.191   4.459
  750    HA3  GLY  98           HA3      GLY  98   9.709  19.719   4.809
  751    H    SER  99           H        SER  99   8.394  21.610   6.651
  752    HA   SER  99           HA       SER  99  10.530  22.979   8.118
  753    HB2  SER  99           HB2      SER  99   8.713  23.701   9.612
  754    HB3  SER  99           HB3      SER  99   8.411  24.088   7.911
  755    HG   SER  99           HG       SER  99   6.545  23.193   8.920
  756    H    THR 100           H        THR 100  10.993  22.646  10.360
  757    HA   THR 100           HA       THR 100  11.064  19.782  11.127
  758    HB   THR 100           HB       THR 100  12.830  20.545  12.711
  759    HG1  THR 100           HG1      THR 100  13.592  22.660  12.480
  760   HG21  THR 100          HG21      THR 100  13.419  19.746  10.436
  761   HG22  THR 100          HG22      THR 100  13.311  21.412   9.821
  762   HG23  THR 100          HG23      THR 100  14.546  20.981  11.025
  763    H    ALA 101           H        ALA 101   9.110  22.409  11.954
  764    HA   ALA 101           HA       ALA 101   8.953  22.029  14.805
  765    HB1  ALA 101           HB1      ALA 101   8.452  24.169  13.702
  766    HB2  ALA 101           HB2      ALA 101   7.055  23.433  12.876
  767    HB3  ALA 101           HB3      ALA 101   7.063  23.594  14.643
  768    H    GLN 102           H        GLN 102   7.196  21.266  16.052
  769    HA   GLN 102           HA       GLN 102   5.091  19.610  14.856
  770    HB2  GLN 102           HB2      GLN 102   5.645  17.604  16.116
  771    HB3  GLN 102           HB3      GLN 102   6.959  17.998  15.022
  772    HG2  GLN 102           HG2      GLN 102   8.360  18.785  16.814
  773    HG3  GLN 102           HG3      GLN 102   7.018  18.819  17.960
  774   HE21  GLN 102          HE22      GLN 102   6.056  16.743  18.675
  775   HE22  GLN 102          HE21      GLN 102   7.081  15.308  18.640
  776    H    SER 103           H        SER 103   3.635  18.699  16.558
  777    HA   SER 103           HA       SER 103   2.214  18.922  18.302
  778    HB2  SER 103           HB2      SER 103   4.755  19.492  19.847
  779    HB3  SER 103           HB3      SER 103   3.260  18.793  20.484
  780    HG   SER 103           HG       SER 103   3.597  16.953  19.237
  781    H    ALA 104           H        ALA 104   2.396  21.379  16.854
  782    HA   ALA 104           HA       ALA 104   1.321  23.268  18.868
  783    HB1  ALA 104           HB1      ALA 104   2.627  25.121  17.885
  784    HB2  ALA 104           HB2      ALA 104   3.697  23.885  18.579
  785    HB3  ALA 104           HB3      ALA 104   3.467  23.979  16.818
  Start of MODEL   19
    1    H1   SER   1           H1       SER   1  28.972  -2.120  12.562
    2    H2   SER   1           H2       SER   1  28.746  -1.359  13.997
    3    H3   SER   1           H3       SER   1  28.550  -2.983  13.890
    4    HA   SER   1           HA       SER   1  26.880  -0.936  12.576
    5    HB2  SER   1           HB2      SER   1  26.536  -3.961  12.500
    6    HB3  SER   1           HB3      SER   1  25.474  -2.753  11.749
    7    HG   SER   1           HG       SER   1  27.015  -3.602  10.259
    8    H    VAL   2           H        VAL   2  24.670  -0.811  13.341
    9    HA   VAL   2           HA       VAL   2  24.099  -1.954  16.036
   10    HB   VAL   2           HB       VAL   2  23.097   0.176  16.756
   11   HG11  VAL   2          HG11      VAL   2  26.053   0.469  16.106
   12   HG12  VAL   2          HG12      VAL   2  25.146   1.298  17.386
   13   HG13  VAL   2          HG13      VAL   2  25.380  -0.456  17.466
   14   HG21  VAL   2          HG21      VAL   2  22.740   1.282  14.560
   15   HG22  VAL   2          HG22      VAL   2  23.657   2.295  15.678
   16   HG23  VAL   2          HG23      VAL   2  24.502   1.454  14.368
   17    H    SER   3           H        SER   3  21.846  -2.033  16.601
   18    HA   SER   3           HA       SER   3  20.108  -2.717  14.373
   19    HB2  SER   3           HB2      SER   3  20.085  -3.855  16.603
   20    HB3  SER   3           HB3      SER   3  19.378  -2.384  17.303
   21    HG   SER   3           HG       SER   3  17.786  -3.961  16.650
   22    H    ILE   4           H        ILE   4  18.154  -1.766  13.805
   23    HA   ILE   4           HA       ILE   4  17.655   1.078  14.431
   24    HB   ILE   4           HB       ILE   4  17.456   1.433  11.851
   25   HG12  ILE   4          HG12      ILE   4  19.114   0.380  10.460
   26   HG13  ILE   4          HG13      ILE   4  19.683  -0.646  11.771
   27   HG21  ILE   4          HG21      ILE   4  19.718   2.326  11.788
   28   HG22  ILE   4          HG22      ILE   4  18.989   2.631  13.370
   29   HG23  ILE   4          HG23      ILE   4  20.190   1.333  13.178
   30   HD11  ILE   4          HD11      ILE   4  16.877  -0.815  10.595
   31   HD12  ILE   4          HD12      ILE   4  18.256  -1.801  10.065
   32   HD13  ILE   4          HD13      ILE   4  17.658  -1.966  11.719
   33    H    LEU   5           H        LEU   5  15.662   1.915  13.486
   34    HA   LEU   5           HA       LEU   5  13.474  -0.020  13.754
   35    HB2  LEU   5           HB2      LEU   5  13.452   2.965  13.163
   36    HB3  LEU   5           HB3      LEU   5  12.031   1.983  13.503
   37    HG   LEU   5           HG       LEU   5  14.305   2.539  15.458
   38   HD11  LEU   5          HD11      LEU   5  12.627   3.882  16.644
   39   HD12  LEU   5          HD12      LEU   5  12.860   4.489  14.996
   40   HD13  LEU   5          HD13      LEU   5  11.421   3.522  15.389
   41   HD21  LEU   5          HD21      LEU   5  11.684   1.026  15.858
   42   HD22  LEU   5          HD22      LEU   5  13.327   0.346  15.957
   43   HD23  LEU   5          HD23      LEU   5  12.793   1.522  17.154
   44    H    ARG   6           H        ARG   6  11.806  -0.346  12.239
   45    HA   ARG   6           HA       ARG   6  12.738  -0.623   9.459
   46    HB2  ARG   6           HB2      ARG   6  10.130  -1.431  10.823
   47    HB3  ARG   6           HB3      ARG   6  10.538  -1.775   9.139
   48    HG2  ARG   6           HG2      ARG   6  12.528  -3.085   9.876
   49    HG3  ARG   6           HG3      ARG   6  12.116  -2.752  11.563
   50    HD2  ARG   6           HD2      ARG   6  11.334  -4.951  11.057
   51    HD3  ARG   6           HD3      ARG   6   9.926  -3.891  11.240
   52    HE   ARG   6           HE       ARG   6  10.774  -4.092   8.467
   53   HH11  ARG   6          HH11      ARG   6   8.993  -5.915  10.870
   54   HH12  ARG   6          HH12      ARG   6   8.062  -6.769   9.669
   55   HH21  ARG   6          HH21      ARG   6   9.561  -5.222   6.985
   56   HH22  ARG   6          HH22      ARG   6   8.391  -6.387   7.522
   57    H    SER   7           H        SER   7  11.576   0.061   7.623
   58    HA   SER   7           HA       SER   7   9.639   2.276   7.853
   59    HB2  SER   7           HB2      SER   7  11.963   3.289   7.875
   60    HB3  SER   7           HB3      SER   7  12.194   2.631   6.242
   61    HG   SER   7           HG       SER   7  11.397   4.835   6.285
   62    H    SER   8           H        SER   8   8.710   2.858   5.720
   63    HA   SER   8           HA       SER   8   7.815   0.516   4.338
   64    HB2  SER   8           HB2      SER   8   7.503   3.456   3.619
   65    HB3  SER   8           HB3      SER   8   6.601   2.116   2.886
   66    HG   SER   8           HG       SER   8   5.439   3.120   4.615
   67    H    VAL   9           H        VAL   9   8.715  -0.578   2.695
   68    HA   VAL   9           HA       VAL   9  11.252   0.119   1.635
   69    HB   VAL   9           HB       VAL   9   9.267  -1.918   0.554
   70   HG11  VAL   9          HG11      VAL   9  11.045  -1.519  -1.096
   71   HG12  VAL   9          HG12      VAL   9  12.286  -1.679   0.163
   72   HG13  VAL   9          HG13      VAL   9  11.297  -3.075  -0.314
   73   HG21  VAL   9          HG21      VAL   9  10.579  -3.542   1.896
   74   HG22  VAL   9          HG22      VAL   9  11.546  -2.209   2.567
   75   HG23  VAL   9          HG23      VAL   9   9.814  -2.338   2.932
   76    H    ASN  10           H        ASN  10   8.025   0.546   0.183
   77    HA   ASN  10           HA       ASN  10   8.719   1.480  -2.384
   78    HB2  ASN  10           HB2      ASN  10   6.427   1.031  -1.752
   79    HB3  ASN  10           HB3      ASN  10   6.475   2.212  -0.443
   80   HD21  ASN  10          HD22      ASN  10   6.194   4.446  -0.909
   81   HD22  ASN  10          HD21      ASN  10   5.724   4.974  -2.524
   82    H    HIS  11           H        HIS  11   8.489   3.359   0.656
   83    HA   HIS  11           HA       HIS  11   9.259   5.869  -0.592
   84    HB2  HIS  11           HB2      HIS  11   9.019   5.073   2.340
   85    HB3  HIS  11           HB3      HIS  11   9.167   6.712   1.720
   86    HD2  HIS  11           HD2      HIS  11   6.921   7.953   1.604
   87    HE1  HIS  11           HE1      HIS  11   4.249   4.671   1.074
   88    HE2  HIS  11           HE2      HIS  11   4.409   7.198   1.352
   89    H    ARG  12           H        ARG  12  10.953   3.472   1.513
   90    HA   ARG  12           HA       ARG  12  13.408   4.904   1.647
   91    HB2  ARG  12           HB2      ARG  12  12.921   3.081   3.179
   92    HB3  ARG  12           HB3      ARG  12  12.853   1.927   1.841
   93    HG2  ARG  12           HG2      ARG  12  14.970   1.753   3.113
   94    HG3  ARG  12           HG3      ARG  12  15.207   2.119   1.413
   95    HD2  ARG  12           HD2      ARG  12  15.478   4.602   2.153
   96    HD3  ARG  12           HD3      ARG  12  15.579   3.963   3.801
   97    HE   ARG  12           HE       ARG  12  17.380   2.469   2.228
   98   HH11  ARG  12          HH11      ARG  12  17.181   5.931   3.022
   99   HH12  ARG  12          HH12      ARG  12  18.913   6.047   3.067
  100   HH21  ARG  12          HH21      ARG  12  19.457   2.907   1.786
  101   HH22  ARG  12          HH22      ARG  12  20.193   4.371   2.399
  102    H    GLU  13           H        GLU  13  12.258   2.644  -0.908
  103    HA   GLU  13           HA       GLU  13  14.732   2.488  -2.292
  104    HB2  GLU  13           HB2      GLU  13  12.752   1.082  -2.699
  105    HB3  GLU  13           HB3      GLU  13  11.897   2.460  -3.402
  106    HG2  GLU  13           HG2      GLU  13  13.554   2.591  -5.222
  107    HG3  GLU  13           HG3      GLU  13  14.523   1.322  -4.462
  108    H    VAL  14           H        VAL  14  12.135   4.982  -2.597
  109    HA   VAL  14           HA       VAL  14  13.557   6.517  -4.613
  110    HB   VAL  14           HB       VAL  14  11.343   7.402  -2.726
  111   HG11  VAL  14          HG11      VAL  14  12.521   9.293  -3.896
  112   HG12  VAL  14          HG12      VAL  14  12.169   8.507  -5.452
  113   HG13  VAL  14          HG13      VAL  14  10.850   9.097  -4.422
  114   HG21  VAL  14          HG21      VAL  14  11.157   6.270  -5.555
  115   HG22  VAL  14          HG22      VAL  14  10.606   5.456  -4.074
  116   HG23  VAL  14          HG23      VAL  14   9.811   6.933  -4.602
  117    H    ASP  15           H        ASP  15  13.353   6.757  -1.036
  118    HA   ASP  15           HA       ASP  15  14.962   9.104  -0.699
  119    HB2  ASP  15           HB2      ASP  15  13.529   8.186   1.023
  120    HB3  ASP  15           HB3      ASP  15  14.416   6.662   1.007
  121    H    GLU  16           H        GLU  16  15.908   5.631  -0.752
  122    HA   GLU  16           HA       GLU  16  18.727   6.033  -0.521
  123    HB2  GLU  16           HB2      GLU  16  17.572   3.892  -0.121
  124    HB3  GLU  16           HB3      GLU  16  17.129   3.776  -1.823
  125    HG2  GLU  16           HG2      GLU  16  19.394   3.521  -2.519
  126    HG3  GLU  16           HG3      GLU  16  20.027   4.036  -0.949
  127    H    ALA  17           H        ALA  17  16.602   5.834  -3.438
  128    HA   ALA  17           HA       ALA  17  18.766   5.981  -5.266
  129    HB1  ALA  17           HB1      ALA  17  15.855   6.856  -5.590
  130    HB2  ALA  17           HB2      ALA  17  17.011   6.649  -6.919
  131    HB3  ALA  17           HB3      ALA  17  16.524   5.249  -5.946
  132    H    ILE  18           H        ILE  18  16.819   8.571  -3.683
  133    HA   ILE  18           HA       ILE  18  18.139  10.833  -4.868
  134    HB   ILE  18           HB       ILE  18  16.689  10.382  -2.249
  135   HG12  ILE  18          HG12      ILE  18  16.076  12.266  -4.559
  136   HG13  ILE  18          HG13      ILE  18  15.570  10.574  -4.564
  137   HG21  ILE  18          HG21      ILE  18  18.017  12.996  -3.121
  138   HG22  ILE  18          HG22      ILE  18  16.808  12.858  -1.831
  139   HG23  ILE  18          HG23      ILE  18  18.356  12.066  -1.645
  140   HD11  ILE  18          HD11      ILE  18  14.716  12.653  -2.517
  141   HD12  ILE  18          HD12      ILE  18  13.744  11.947  -3.818
  142   HD13  ILE  18          HD13      ILE  18  14.294  10.923  -2.475
  143    H    ASP  19           H        ASP  19  19.011   9.010  -1.834
  144    HA   ASP  19           HA       ASP  19  21.349  10.557  -1.319
  145    HB2  ASP  19           HB2      ASP  19  20.246   9.057   0.308
  146    HB3  ASP  19           HB3      ASP  19  20.750   7.657  -0.629
  147    H    ASN  20           H        ASN  20  20.987   7.574  -3.303
  148    HA   ASN  20           HA       ASN  20  23.749   7.291  -3.957
  149    HB2  ASN  20           HB2      ASN  20  22.058   5.513  -4.233
  150    HB3  ASN  20           HB3      ASN  20  21.233   6.463  -5.469
  151   HD21  ASN  20          HD22      ASN  20  24.260   4.686  -4.739
  152   HD22  ASN  20          HD21      ASN  20  24.712   4.506  -6.426
  153    H    ILE  21           H        ILE  21  21.121   9.073  -5.688
  154    HA   ILE  21           HA       ILE  21  22.789  10.073  -7.811
  155    HB   ILE  21           HB       ILE  21  20.171  11.013  -6.589
  156   HG12  ILE  21          HG12      ILE  21  20.784  10.032  -9.411
  157   HG13  ILE  21          HG13      ILE  21  20.385   8.921  -8.101
  158   HG21  ILE  21          HG21      ILE  21  21.214  13.075  -7.308
  159   HG22  ILE  21          HG22      ILE  21  21.790  12.321  -8.812
  160   HG23  ILE  21          HG23      ILE  21  20.065  12.632  -8.555
  161   HD11  ILE  21          HD11      ILE  21  18.380   9.374  -9.373
  162   HD12  ILE  21          HD12      ILE  21  18.209  10.090  -7.760
  163   HD13  ILE  21          HD13      ILE  21  18.568  11.119  -9.162
  164    H    LEU  22           H        LEU  22  21.904  11.484  -4.620
  165    HA   LEU  22           HA       LEU  22  23.322  13.890  -4.928
  166    HB2  LEU  22           HB2      LEU  22  21.538  13.376  -3.284
  167    HB3  LEU  22           HB3      LEU  22  22.631  12.270  -2.443
  168    HG   LEU  22           HG       LEU  22  24.089  14.156  -1.820
  169   HD11  LEU  22          HD11      LEU  22  23.644  15.721  -3.678
  170   HD12  LEU  22          HD12      LEU  22  21.938  15.860  -3.190
  171   HD13  LEU  22          HD13      LEU  22  23.235  16.475  -2.140
  172   HD21  LEU  22          HD21      LEU  22  21.146  14.575  -1.140
  173   HD22  LEU  22          HD22      LEU  22  22.261  13.455  -0.327
  174   HD23  LEU  22          HD23      LEU  22  22.533  15.201  -0.220
  175    H    ARG  23           H        ARG  23  24.476  10.751  -3.596
  176    HA   ARG  23           HA       ARG  23  27.164  11.601  -3.053
  177    HB2  ARG  23           HB2      ARG  23  26.076   9.543  -2.176
  178    HB3  ARG  23           HB3      ARG  23  26.113   8.833  -3.800
  179    HG2  ARG  23           HG2      ARG  23  28.588   8.920  -3.791
  180    HG3  ARG  23           HG3      ARG  23  28.566   9.709  -2.203
  181    HD2  ARG  23           HD2      ARG  23  27.475   7.714  -1.225
  182    HD3  ARG  23           HD3      ARG  23  27.468   6.934  -2.822
  183    HE   ARG  23           HE       ARG  23  30.142   7.680  -2.239
  184   HH11  ARG  23          HH11      ARG  23  27.813   5.392  -0.956
  185   HH12  ARG  23          HH12      ARG  23  29.053   4.306  -0.394
  186   HH21  ARG  23          HH21      ARG  23  31.668   6.252  -1.496
  187   HH22  ARG  23          HH22      ARG  23  31.186   4.792  -0.694
  188    H    TYR  24           H        TYR  24  25.697  10.216  -6.038
  189    HA   TYR  24           HA       TYR  24  28.149  10.128  -7.507
  190    HB2  TYR  24           HB2      TYR  24  26.206   8.762  -8.028
  191    HB3  TYR  24           HB3      TYR  24  25.248  10.193  -8.379
  192    HD1  TYR  24           HD1      TYR  24  28.725   9.160  -9.487
  193    HD2  TYR  24           HD2      TYR  24  24.668  10.106 -10.633
  194    HE1  TYR  24           HE1      TYR  24  29.345   8.957 -11.882
  195    HE2  TYR  24           HE2      TYR  24  25.289   9.871 -13.026
  196    HH   TYR  24           HH       TYR  24  26.971   9.414 -14.537
  197    H    THR  25           H        THR  25  25.627  12.717  -7.340
  198    HA   THR  25           HA       THR  25  26.925  14.404  -9.313
  199    HB   THR  25           HB       THR  25  25.400  16.162  -8.446
  200    HG1  THR  25           HG1      THR  25  24.346  15.900  -6.658
  201   HG21  THR  25          HG21      THR  25  23.243  15.031  -8.996
  202   HG22  THR  25          HG22      THR  25  24.521  14.712 -10.190
  203   HG23  THR  25          HG23      THR  25  24.080  13.472  -9.003
  204    H    ASN  26           H        ASN  26  27.588  13.852  -5.951
  205    HA   ASN  26           HA       ASN  26  28.723  14.925  -4.343
  206    HB2  ASN  26           HB2      ASN  26  30.407  15.834  -6.709
  207    HB3  ASN  26           HB3      ASN  26  30.870  16.047  -5.028
  208   HD21  ASN  26          HD22      ASN  26  30.327  13.567  -7.543
  209   HD22  ASN  26          HD21      ASN  26  31.177  12.325  -6.647
  210    H    SER  27           H        SER  27  26.362  16.319  -5.343
  211    HA   SER  27           HA       SER  27  26.992  19.192  -4.825
  212    HB2  SER  27           HB2      SER  27  24.771  19.614  -5.752
  213    HB3  SER  27           HB3      SER  27  25.764  18.666  -6.861
  214    HG   SER  27           HG       SER  27  23.537  17.843  -5.309
  215    H    THR  28           H        THR  28  25.041  20.318  -3.605
  216    HA   THR  28           HA       THR  28  24.467  18.826  -1.095
  217    HB   THR  28           HB       THR  28  23.570  20.838  -0.206
  218    HG1  THR  28           HG1      THR  28  23.705  22.761  -1.609
  219   HG21  THR  28          HG21      THR  28  26.074  21.630  -1.748
  220   HG22  THR  28          HG22      THR  28  25.474  22.325  -0.228
  221   HG23  THR  28          HG23      THR  28  26.073  20.658  -0.259
  222    H    GLU  29           H        GLU  29  22.231  18.727  -0.278
  223    HA   GLU  29           HA       GLU  29  20.401  17.753  -2.285
  224    HB2  GLU  29           HB2      GLU  29  18.791  17.544  -0.461
  225    HB3  GLU  29           HB3      GLU  29  20.318  16.762  -0.123
  226    HG2  GLU  29           HG2      GLU  29  19.745  19.537   0.973
  227    HG3  GLU  29           HG3      GLU  29  19.089  18.110   1.740
  228    H    GLN  30           H        GLN  30  20.700  20.947  -0.685
  229    HA   GLN  30           HA       GLN  30  18.306  21.976  -1.936
  230    HB2  GLN  30           HB2      GLN  30  19.061  24.163  -1.250
  231    HB3  GLN  30           HB3      GLN  30  19.139  23.000   0.066
  232    HG2  GLN  30           HG2      GLN  30  21.610  22.820  -0.243
  233    HG3  GLN  30           HG3      GLN  30  21.528  23.993  -1.564
  234   HE21  GLN  30          HE22      GLN  30  20.798  26.264  -0.990
  235   HE22  GLN  30          HE21      GLN  30  21.076  26.798   0.659
  236    H    GLN  31           H        GLN  31  21.738  21.841  -3.042
  237    HA   GLN  31           HA       GLN  31  21.275  23.303  -5.494
  238    HB2  GLN  31           HB2      GLN  31  23.279  21.197  -4.637
  239    HB3  GLN  31           HB3      GLN  31  23.281  21.859  -6.271
  240    HG2  GLN  31           HG2      GLN  31  23.761  24.068  -5.519
  241    HG3  GLN  31           HG3      GLN  31  23.446  23.666  -3.835
  242   HE21  GLN  31          HE22      GLN  31  25.792  24.875  -4.114
  243   HE22  GLN  31          HE21      GLN  31  27.118  23.718  -4.080
  244    H    PHE  32           H        PHE  32  20.933  19.804  -4.655
  245    HA   PHE  32           HA       PHE  32  20.157  19.021  -7.292
  246    HB2  PHE  32           HB2      PHE  32  21.034  17.514  -5.560
  247    HB3  PHE  32           HB3      PHE  32  19.581  17.758  -4.601
  248    HD1  PHE  32           HD1      PHE  32  18.972  17.314  -8.235
  249    HD2  PHE  32           HD2      PHE  32  19.572  15.283  -4.476
  250    HE1  PHE  32           HE1      PHE  32  17.913  15.290  -9.154
  251    HE2  PHE  32           HE2      PHE  32  18.543  13.239  -5.431
  252    HZ   PHE  32           HZ       PHE  32  17.670  13.254  -7.761
  253    H    LEU  33           H        LEU  33  18.117  20.013  -4.471
  254    HA   LEU  33           HA       LEU  33  15.634  19.757  -5.830
  255    HB2  LEU  33           HB2      LEU  33  15.930  19.970  -3.413
  256    HB3  LEU  33           HB3      LEU  33  16.489  21.625  -3.572
  257    HG   LEU  33           HG       LEU  33  14.144  21.285  -2.697
  258   HD11  LEU  33          HD11      LEU  33  14.899  23.447  -3.688
  259   HD12  LEU  33          HD12      LEU  33  14.149  22.963  -5.230
  260   HD13  LEU  33          HD13      LEU  33  13.157  23.149  -3.783
  261   HD21  LEU  33          HD21      LEU  33  12.332  20.812  -4.238
  262   HD22  LEU  33          HD22      LEU  33  13.450  20.619  -5.593
  263   HD23  LEU  33          HD23      LEU  33  13.470  19.450  -4.256
  264    H    GLU  34           H        GLU  34  17.820  22.588  -5.616
  265    HA   GLU  34           HA       GLU  34  16.263  24.326  -7.254
  266    HB2  GLU  34           HB2      GLU  34  18.133  25.030  -5.794
  267    HB3  GLU  34           HB3      GLU  34  19.280  24.216  -6.861
  268    HG2  GLU  34           HG2      GLU  34  18.670  25.730  -8.708
  269    HG3  GLU  34           HG3      GLU  34  17.425  26.484  -7.708
  270    H    ALA  35           H        ALA  35  18.786  21.947  -8.190
  271    HA   ALA  35           HA       ALA  35  18.720  22.535 -10.977
  272    HB1  ALA  35           HB1      ALA  35  19.821  20.343 -11.230
  273    HB2  ALA  35           HB2      ALA  35  20.533  21.275  -9.901
  274    HB3  ALA  35           HB3      ALA  35  19.414  19.931  -9.551
  275    H    MET  36           H        MET  36  16.754  20.107  -9.096
  276    HA   MET  36           HA       MET  36  15.262  19.267 -11.434
  277    HB2  MET  36           HB2      MET  36  14.447  19.187  -8.491
  278    HB3  MET  36           HB3      MET  36  13.588  18.427  -9.829
  279    HG2  MET  36           HG2      MET  36  15.785  17.178 -10.334
  280    HG3  MET  36           HG3      MET  36  16.312  17.723  -8.738
  281    HE1  MET  36           HE1      MET  36  13.072  14.566  -9.690
  282    HE2  MET  36           HE2      MET  36  12.899  16.232 -10.282
  283    HE3  MET  36           HE3      MET  36  14.260  15.231 -10.831
  284    H    GLU  37           H        GLU  37  14.593  21.902  -9.052
  285    HA   GLU  37           HA       GLU  37  12.083  22.598 -10.223
  286    HB2  GLU  37           HB2      GLU  37  12.890  23.230  -7.963
  287    HB3  GLU  37           HB3      GLU  37  14.027  24.374  -8.694
  288    HG2  GLU  37           HG2      GLU  37  12.177  25.686  -9.612
  289    HG3  GLU  37           HG3      GLU  37  11.013  24.451  -9.129
  290    H    SER  38           H        SER  38  15.387  23.892 -10.963
  291    HA   SER  38           HA       SER  38  14.420  25.705 -12.986
  292    HB2  SER  38           HB2      SER  38  17.189  24.622 -12.382
  293    HB3  SER  38           HB3      SER  38  16.841  25.872 -13.598
  294    HG   SER  38           HG       SER  38  17.398  26.815 -11.573
  295    H    THR  39           H        THR  39  15.245  22.267 -13.164
  296    HA   THR  39           HA       THR  39  15.275  22.380 -16.144
  297    HB   THR  39           HB       THR  39  15.956  20.039 -16.073
  298    HG1  THR  39           HG1      THR  39  16.270  20.356 -13.296
  299   HG21  THR  39          HG21      THR  39  18.196  20.366 -15.049
  300   HG22  THR  39          HG22      THR  39  17.717  21.706 -16.112
  301   HG23  THR  39          HG23      THR  39  17.651  21.901 -14.354
  302    H    GLY  40           H        GLY  40  12.832  22.217 -13.935
  303    HA2  GLY  40           HA2      GLY  40  10.576  22.016 -14.500
  304    HA3  GLY  40           HA3      GLY  40  10.991  21.222 -16.018
  305    H    GLY  41           H        GLY  41  12.392  19.984 -13.073
  306    HA2  GLY  41           HA2      GLY  41  11.716  18.326 -11.590
  307    HA3  GLY  41           HA3      GLY  41  10.240  18.060 -12.516
  308    H    ARG  42           H        ARG  42  12.794  17.871 -14.744
  309    HA   ARG  42           HA       ARG  42  12.582  14.929 -14.930
  310    HB2  ARG  42           HB2      ARG  42  13.974  17.055 -16.554
  311    HB3  ARG  42           HB3      ARG  42  14.240  15.312 -16.781
  312    HG2  ARG  42           HG2      ARG  42  11.722  15.017 -16.959
  313    HG3  ARG  42           HG3      ARG  42  11.582  16.785 -17.061
  314    HD2  ARG  42           HD2      ARG  42  13.396  15.107 -18.820
  315    HD3  ARG  42           HD3      ARG  42  11.700  15.450 -19.233
  316    HE   ARG  42           HE       ARG  42  13.035  17.921 -18.630
  317   HH11  ARG  42          HH12      ARG  42  12.800  15.622 -21.285
  318   HH12  ARG  42          HH11      ARG  42  13.034  16.880 -22.478
  319   HH21  ARG  42          HH22      ARG  42  13.350  19.441 -20.240
  320   HH22  ARG  42          HH21      ARG  42  13.284  18.925 -21.910
  321    H    VAL  43           H        VAL  43  13.741  13.661 -13.552
  322    HA   VAL  43           HA       VAL  43  16.056  14.534 -12.152
  323    HB   VAL  43           HB       VAL  43  14.594  12.639 -11.493
  324   HG11  VAL  43          HG11      VAL  43  16.267  10.926 -13.382
  325   HG12  VAL  43          HG12      VAL  43  15.009  10.389 -12.259
  326   HG13  VAL  43          HG13      VAL  43  14.566  11.369 -13.661
  327   HG21  VAL  43          HG21      VAL  43  16.757  13.068 -10.379
  328   HG22  VAL  43          HG22      VAL  43  16.378  11.337 -10.435
  329   HG23  VAL  43          HG23      VAL  43  17.578  12.007 -11.546
  330    H    ARG  44           H        ARG  44  15.887  12.891 -15.341
  331    HA   ARG  44           HA       ARG  44  18.694  12.437 -15.584
  332    HB2  ARG  44           HB2      ARG  44  18.296  12.038 -17.905
  333    HB3  ARG  44           HB3      ARG  44  17.043  11.295 -16.933
  334    HG2  ARG  44           HG2      ARG  44  15.449  13.161 -17.595
  335    HG3  ARG  44           HG3      ARG  44  16.752  13.874 -18.549
  336    HD2  ARG  44           HD2      ARG  44  15.336  12.641 -20.034
  337    HD3  ARG  44           HD3      ARG  44  16.905  11.831 -19.921
  338    HE   ARG  44           HE       ARG  44  14.920  10.769 -18.046
  339   HH11  ARG  44          HH21      ARG  44  15.918  10.509 -21.393
  340   HH12  ARG  44          HH22      ARG  44  15.275   8.897 -21.556
  341   HH21  ARG  44          HH11      ARG  44  14.139   8.703 -18.313
  342   HH22  ARG  44          HH12      ARG  44  14.292   7.908 -19.848
  343    H    ILE  45           H        ILE  45  16.825  15.338 -16.448
  344    HA   ILE  45           HA       ILE  45  19.163  16.654 -17.639
  345    HB   ILE  45           HB       ILE  45  16.546  17.946 -16.818
  346   HG12  ILE  45          HG12      ILE  45  15.908  16.172 -18.330
  347   HG13  ILE  45          HG13      ILE  45  15.792  17.718 -19.134
  348   HG21  ILE  45          HG21      ILE  45  18.687  18.740 -18.851
  349   HG22  ILE  45          HG22      ILE  45  17.154  19.600 -18.588
  350   HG23  ILE  45          HG23      ILE  45  18.373  19.546 -17.311
  351   HD11  ILE  45          HD11      ILE  45  18.075  15.729 -19.543
  352   HD12  ILE  45          HD12      ILE  45  16.677  15.945 -20.603
  353   HD13  ILE  45          HD13      ILE  45  17.843  17.264 -20.417
  354    H    ALA  46           H        ALA  46  17.512  16.676 -14.468
  355    HA   ALA  46           HA       ALA  46  19.050  18.782 -13.308
  356    HB1  ALA  46           HB1      ALA  46  18.220  17.890 -11.180
  357    HB2  ALA  46           HB2      ALA  46  16.925  17.889 -12.397
  358    HB3  ALA  46           HB3      ALA  46  17.736  16.370 -11.973
  359    H    ILE  47           H        ILE  47  19.624  15.177 -13.187
  360    HA   ILE  47           HA       ILE  47  22.148  15.533 -11.842
  361    HB   ILE  47           HB       ILE  47  22.619  13.234 -12.214
  362   HG12  ILE  47          HG12      ILE  47  20.279  13.169 -14.147
  363   HG13  ILE  47          HG13      ILE  47  21.979  12.916 -14.536
  364   HG21  ILE  47          HG21      ILE  47  19.662  13.553 -11.570
  365   HG22  ILE  47          HG22      ILE  47  20.771  12.299 -10.995
  366   HG23  ILE  47          HG23      ILE  47  20.985  13.978 -10.476
  367   HD11  ILE  47          HD11      ILE  47  21.979  10.867 -13.102
  368   HD12  ILE  47          HD12      ILE  47  20.219  11.071 -12.889
  369   HD13  ILE  47          HD13      ILE  47  20.881  10.788 -14.498
  370    H    ALA  48           H        ALA  48  21.363  15.313 -15.372
  371    HA   ALA  48           HA       ALA  48  24.020  15.447 -16.309
  372    HB1  ALA  48           HB1      ALA  48  22.073  15.038 -17.731
  373    HB2  ALA  48           HB2      ALA  48  21.445  16.666 -17.411
  374    HB3  ALA  48           HB3      ALA  48  22.952  16.462 -18.330
  375    H    LYS  49           H        LYS  49  21.874  18.232 -15.390
  376    HA   LYS  49           HA       LYS  49  23.879  20.248 -15.903
  377    HB2  LYS  49           HB2      LYS  49  21.342  20.164 -14.207
  378    HB3  LYS  49           HB3      LYS  49  22.325  21.621 -14.323
  379    HG2  LYS  49           HG2      LYS  49  21.266  20.217 -16.814
  380    HG3  LYS  49           HG3      LYS  49  20.310  21.396 -15.919
  381    HD2  LYS  49           HD2      LYS  49  21.977  23.136 -16.259
  382    HD3  LYS  49           HD3      LYS  49  23.063  22.003 -17.090
  383    HE2  LYS  49           HE2      LYS  49  21.454  21.663 -18.886
  384    HE3  LYS  49           HE3      LYS  49  20.230  22.631 -18.047
  385    HZ1  LYS  49           HZ1      LYS  49  21.550  24.598 -18.385
  386    HZ2  LYS  49           HZ2      LYS  49  22.850  23.762 -18.932
  387    HZ3  LYS  49           HZ3      LYS  49  21.493  23.830 -19.844
  388    H    LEU  50           H        LEU  50  23.132  18.424 -12.907
  389    HA   LEU  50           HA       LEU  50  25.043  19.878 -11.286
  390    HB2  LEU  50           HB2      LEU  50  23.828  17.101 -11.046
  391    HB3  LEU  50           HB3      LEU  50  24.824  17.839  -9.799
  392    HG   LEU  50           HG       LEU  50  22.266  19.160 -10.780
  393   HD11  LEU  50          HD11      LEU  50  21.113  18.162  -8.937
  394   HD12  LEU  50          HD12      LEU  50  21.820  16.859  -9.866
  395   HD13  LEU  50          HD13      LEU  50  22.585  17.369  -8.334
  396   HD21  LEU  50          HD21      LEU  50  23.893  19.475  -8.230
  397   HD22  LEU  50          HD22      LEU  50  23.787  20.651  -9.560
  398   HD23  LEU  50          HD23      LEU  50  22.359  20.290  -8.590
  399    H    LEU  51           H        LEU  51  25.398  16.982 -13.362
  400    HA   LEU  51           HA       LEU  51  28.142  16.488 -12.494
  401    HB2  LEU  51           HB2      LEU  51  26.395  15.379 -14.719
  402    HB3  LEU  51           HB3      LEU  51  28.030  14.812 -14.413
  403    HG   LEU  51           HG       LEU  51  25.880  14.730 -12.250
  404   HD11  LEU  51          HD11      LEU  51  25.512  12.404 -12.824
  405   HD12  LEU  51          HD12      LEU  51  25.154  13.414 -14.229
  406   HD13  LEU  51          HD13      LEU  51  26.677  12.496 -14.160
  407   HD21  LEU  51          HD21      LEU  51  27.330  12.969 -11.300
  408   HD22  LEU  51          HD22      LEU  51  28.504  13.218 -12.602
  409   HD23  LEU  51          HD23      LEU  51  28.197  14.508 -11.422
  410    H    SER  52           H        SER  52  26.705  18.031 -15.389
  411    HA   SER  52           HA       SER  52  29.454  18.467 -16.473
  412    HB2  SER  52           HB2      SER  52  28.464  18.691 -18.602
  413    HB3  SER  52           HB3      SER  52  27.782  17.237 -17.843
  414    HG   SER  52           HG       SER  52  25.891  18.422 -17.382
  415    H    LYS  53           H        LYS  53  26.922  20.378 -15.083
  416    HA   LYS  53           HA       LYS  53  26.171  22.501 -15.358
  417    HB2  LYS  53           HB2      LYS  53  27.790  24.168 -14.594
  418    HB3  LYS  53           HB3      LYS  53  27.753  22.695 -13.634
  419    HG2  LYS  53           HG2      LYS  53  29.797  21.870 -14.718
  420    HG3  LYS  53           HG3      LYS  53  29.884  23.326 -15.722
  421    HD2  LYS  53           HD2      LYS  53  29.981  23.246 -12.674
  422    HD3  LYS  53           HD3      LYS  53  31.399  23.320 -13.724
  423    HE2  LYS  53           HE2      LYS  53  30.599  25.488 -14.667
  424    HE3  LYS  53           HE3      LYS  53  29.212  25.445 -13.573
  425    HZ1  LYS  53           HZ1      LYS  53  31.019  26.794 -12.658
  426    HZ2  LYS  53           HZ2      LYS  53  30.768  25.502 -11.693
  427    HZ3  LYS  53           HZ3      LYS  53  32.058  25.538 -12.696
  428    H    GLN  54           H        GLN  54  26.439  21.389 -17.894
  429    HA   GLN  54           HA       GLN  54  27.725  23.168 -19.713
  430    HB2  GLN  54           HB2      GLN  54  26.738  21.861 -21.459
  431    HB3  GLN  54           HB3      GLN  54  27.283  20.798 -20.169
  432    HG2  GLN  54           HG2      GLN  54  24.884  20.661 -19.346
  433    HG3  GLN  54           HG3      GLN  54  24.400  21.626 -20.746
  434   HE21  GLN  54          HE22      GLN  54  25.971  18.546 -19.802
  435   HE22  GLN  54          HE21      GLN  54  25.512  17.689 -21.280
  436    H    THR  55           H        THR  55  26.946  24.688 -21.201
  437    HA   THR  55           HA       THR  55  24.881  26.406 -20.141
  438    HB   THR  55           HB       THR  55  27.002  27.152 -21.179
  439    HG1  THR  55           HG1      THR  55  26.062  28.966 -22.088
  440   HG21  THR  55          HG21      THR  55  27.188  27.433 -23.585
  441   HG22  THR  55          HG22      THR  55  26.996  25.713 -23.231
  442   HG23  THR  55          HG23      THR  55  25.620  26.650 -23.853
  443    H    SER  56           H        SER  56  24.792  23.963 -22.646
  444    HA   SER  56           HA       SER  56  22.722  24.897 -24.271
  445    HB2  SER  56           HB2      SER  56  23.377  22.004 -23.600
  446    HB3  SER  56           HB3      SER  56  22.512  22.587 -25.037
  447    HG   SER  56           HG       SER  56  24.745  22.238 -25.477
  448    H    GLY  57           H        GLY  57  20.512  24.433 -24.494
  449    HA2  GLY  57           HA2      GLY  57  19.002  24.018 -21.978
  450    HA3  GLY  57           HA3      GLY  57  18.376  24.637 -23.496
  451    H    GLY  58           H        GLY  58  17.176  22.630 -21.850
  452    HA2  GLY  58           HA2      GLY  58  17.407  20.029 -23.204
  453    HA3  GLY  58           HA3      GLY  58  16.268  20.468 -21.940
  454    H    SER  59           H        SER  59  15.577  18.971 -24.192
  455    HA   SER  59           HA       SER  59  14.078  18.743 -25.876
  456    HB2  SER  59           HB2      SER  59  12.572  20.797 -24.238
  457    HB3  SER  59           HB3      SER  59  11.877  19.688 -25.435
  458    HG   SER  59           HG       SER  59  11.615  18.646 -23.561
  459    H    GLY  60           H        GLY  60  16.089  20.395 -26.818
  460    HA2  GLY  60           HA2      GLY  60  15.126  22.827 -28.013
  461    HA3  GLY  60           HA3      GLY  60  16.649  22.010 -28.358
  462    H    GLY  61           H        GLY  61  14.673  19.589 -29.118
  463    HA2  GLY  61           HA2      GLY  61  14.865  19.983 -31.963
  464    HA3  GLY  61           HA3      GLY  61  14.069  18.642 -31.147
  465    H    SER  62           H        SER  62  13.192  19.900 -33.539
  466    HA   SER  62           HA       SER  62  10.408  20.507 -32.817
  467    HB2  SER  62           HB2      SER  62  11.624  22.727 -32.866
  468    HB3  SER  62           HB3      SER  62  11.950  22.443 -34.588
  469    HG   SER  62           HG       SER  62  10.011  23.692 -34.180
  470    H    LYS  63           H        LYS  63   8.983  20.518 -34.731
  471    HA   LYS  63           HA       LYS  63   9.576  18.247 -36.447
  472    HB2  LYS  63           HB2      LYS  63   7.382  18.674 -35.419
  473    HB3  LYS  63           HB3      LYS  63   7.165  20.119 -36.396
  474    HG2  LYS  63           HG2      LYS  63   7.688  17.468 -37.774
  475    HG3  LYS  63           HG3      LYS  63   6.116  17.753 -37.031
  476    HD2  LYS  63           HD2      LYS  63   5.725  19.735 -38.411
  477    HD3  LYS  63           HD3      LYS  63   7.335  19.613 -39.112
  478    HE2  LYS  63           HE2      LYS  63   5.841  18.733 -40.727
  479    HE3  LYS  63           HE3      LYS  63   6.753  17.375 -40.070
  480    HZ1  LYS  63           HZ1      LYS  63   4.799  16.822 -38.692
  481    HZ2  LYS  63           HZ2      LYS  63   3.973  18.116 -39.266
  482    HZ3  LYS  63           HZ3      LYS  63   4.363  16.885 -40.259
  483    H    LEU  64           H        LEU  64   9.993  18.132 -38.564
  484    HA   LEU  64           HA       LEU  64  10.271  20.601 -40.225
  485    HB2  LEU  64           HB2      LEU  64  12.252  18.301 -39.952
  486    HB3  LEU  64           HB3      LEU  64  12.346  19.542 -41.193
  487    HG   LEU  64           HG       LEU  64  12.558  20.090 -38.199
  488   HD11  LEU  64          HD11      LEU  64  14.707  19.970 -40.354
  489   HD12  LEU  64          HD12      LEU  64  14.946  20.434 -38.654
  490   HD13  LEU  64          HD13      LEU  64  14.461  18.781 -39.055
  491   HD21  LEU  64          HD21      LEU  64  11.760  22.076 -39.435
  492   HD22  LEU  64          HD22      LEU  64  13.436  22.295 -38.926
  493   HD23  LEU  64          HD23      LEU  64  13.075  21.883 -40.618
  494    H    GLY  65           H        GLY  65  10.253  20.198 -42.538
  495    HA2  GLY  65           HA2      GLY  65   8.203  18.330 -43.383
  496    HA3  GLY  65           HA3      GLY  65   9.156  19.389 -44.417
  497    H    GLY  66           H        GLY  66   8.381  16.608 -44.863
  498    HA2  GLY  66           HA2      GLY  66  10.626  15.533 -46.126
  499    HA3  GLY  66           HA3      GLY  66  10.626  14.829 -44.507
  500    H    SER  67           H        SER  67  10.478  12.957 -46.198
  501    HA   SER  67           HA       SER  67   7.951  12.277 -47.365
  502    HB2  SER  67           HB2      SER  67  10.257  10.467 -46.555
  503    HB3  SER  67           HB3      SER  67   8.923  10.037 -47.640
  504    HG   SER  67           HG       SER  67  10.803  10.717 -48.800
  505    H    GLY  68           H        GLY  68   6.408  10.711 -46.772
  506    HA2  GLY  68           HA2      GLY  68   5.655  10.593 -43.994
  507    HA3  GLY  68           HA3      GLY  68   4.893   9.729 -45.322
  508    H    GLY  69           H        GLY  69   5.348   8.747 -42.679
  509    HA2  GLY  69           HA2      GLY  69   6.758   6.209 -43.263
  510    HA3  GLY  69           HA3      GLY  69   7.443   7.216 -41.984
  511    H    SER  70           H        SER  70   3.948   7.041 -42.510
  512    HA   SER  70           HA       SER  70   3.418   6.414 -39.779
  513    HB2  SER  70           HB2      SER  70   1.542   6.270 -42.170
  514    HB3  SER  70           HB3      SER  70   1.068   6.343 -40.463
  515    HG   SER  70           HG       SER  70   1.017   8.423 -41.470
  516    H    ARG  71           H        ARG  71   2.438   4.640 -38.805
  517    HA   ARG  71           HA       ARG  71   2.490   1.997 -40.213
  518    HB2  ARG  71           HB2      ARG  71   3.592   2.593 -37.426
  519    HB3  ARG  71           HB3      ARG  71   3.420   0.984 -38.138
  520    HG2  ARG  71           HG2      ARG  71   4.984   1.640 -39.972
  521    HG3  ARG  71           HG3      ARG  71   5.215   3.215 -39.187
  522    HD2  ARG  71           HD2      ARG  71   6.054   2.075 -37.153
  523    HD3  ARG  71           HD3      ARG  71   5.859   0.503 -37.966
  524    HE   ARG  71           HE       ARG  71   7.458   2.191 -39.618
  525   HH11  ARG  71          HH11      ARG  71   7.795   0.503 -36.562
  526   HH12  ARG  71          HH12      ARG  71   9.524   0.360 -36.725
  527   HH21  ARG  71          HH21      ARG  71   9.666   1.977 -39.762
  528   HH22  ARG  71          HH22      ARG  71  10.553   1.179 -38.495
  529    H    LYS  72           H        LYS  72   1.143   0.376 -39.306
  530    HA   LYS  72           HA       LYS  72  -1.417   1.441 -38.353
  531    HB2  LYS  72           HB2      LYS  72  -2.328  -0.701 -38.899
  532    HB3  LYS  72           HB3      LYS  72  -1.273  -0.165 -40.206
  533    HG2  LYS  72           HG2      LYS  72   0.525  -1.685 -39.366
  534    HG3  LYS  72           HG3      LYS  72  -0.550  -2.223 -38.062
  535    HD2  LYS  72           HD2      LYS  72  -2.171  -3.066 -39.740
  536    HD3  LYS  72           HD3      LYS  72  -1.095  -2.526 -41.049
  537    HE2  LYS  72           HE2      LYS  72   0.695  -4.029 -40.187
  538    HE3  LYS  72           HE3      LYS  72  -0.383  -4.570 -38.891
  539    HZ1  LYS  72           HZ1      LYS  72  -0.882  -4.967 -41.802
  540    HZ2  LYS  72           HZ2      LYS  72  -0.409  -6.127 -40.758
  541    HZ3  LYS  72           HZ3      LYS  72  -1.888  -5.456 -40.609
  542    H    ASP  73           H        ASP  73   1.238   0.105 -36.690
  543    HA   ASP  73           HA       ASP  73  -0.278  -1.173 -34.556
  544    HB2  ASP  73           HB2      ASP  73   1.856  -2.057 -35.349
  545    HB3  ASP  73           HB3      ASP  73   2.683  -0.581 -34.847
  546    H    LEU  74           H        LEU  74  -1.542   0.894 -34.302
  547    HA   LEU  74           HA       LEU  74  -0.244   2.953 -32.592
  548    HB2  LEU  74           HB2      LEU  74  -2.910   2.954 -34.050
  549    HB3  LEU  74           HB3      LEU  74  -2.204   4.320 -33.192
  550    HG   LEU  74           HG       LEU  74  -1.040   3.014 -35.689
  551   HD11  LEU  74          HD11      LEU  74  -3.095   4.311 -36.100
  552   HD12  LEU  74          HD12      LEU  74  -2.378   5.717 -35.280
  553   HD13  LEU  74          HD13      LEU  74  -1.672   5.105 -36.794
  554   HD21  LEU  74          HD21      LEU  74   0.487   4.977 -35.721
  555   HD22  LEU  74          HD22      LEU  74  -0.120   5.468 -34.123
  556   HD23  LEU  74          HD23      LEU  74   0.777   3.943 -34.322
  557    H    SER  75           H        SER  75  -1.721   0.146 -31.823
  558    HA   SER  75           HA       SER  75  -3.744   0.982 -29.952
  559    HB2  SER  75           HB2      SER  75  -3.718  -1.358 -29.206
  560    HB3  SER  75           HB3      SER  75  -3.810  -1.211 -30.968
  561    HG   SER  75           HG       SER  75  -2.288  -2.787 -30.406
  562    H    VAL  76           H        VAL  76  -3.763   1.015 -27.717
  563    HA   VAL  76           HA       VAL  76  -1.246   1.714 -26.364
  564    HB   VAL  76           HB       VAL  76  -4.082   1.510 -25.275
  565   HG11  VAL  76          HG11      VAL  76  -2.444   1.295 -23.445
  566   HG12  VAL  76          HG12      VAL  76  -1.561   2.720 -24.041
  567   HG13  VAL  76          HG13      VAL  76  -3.209   2.880 -23.395
  568   HG21  VAL  76          HG21      VAL  76  -4.016   3.991 -25.341
  569   HG22  VAL  76          HG22      VAL  76  -2.426   3.930 -26.130
  570   HG23  VAL  76          HG23      VAL  76  -3.867   3.309 -26.960
  571    H    LYS  77           H        LYS  77  -0.076   0.452 -25.053
  572    HA   LYS  77           HA       LYS  77  -0.963  -2.356 -24.477
  573    HB2  LYS  77           HB2      LYS  77   1.792  -1.375 -25.332
  574    HB3  LYS  77           HB3      LYS  77   1.371  -3.044 -24.918
  575    HG2  LYS  77           HG2      LYS  77  -0.198  -3.149 -26.825
  576    HG3  LYS  77           HG3      LYS  77   0.159  -1.457 -27.221
  577    HD2  LYS  77           HD2      LYS  77   2.535  -2.032 -27.629
  578    HD3  LYS  77           HD3      LYS  77   2.194  -3.716 -27.223
  579    HE2  LYS  77           HE2      LYS  77   2.288  -3.472 -29.626
  580    HE3  LYS  77           HE3      LYS  77   0.646  -3.900 -29.146
  581    HZ1  LYS  77           HZ1      LYS  77   0.869  -2.084 -30.845
  582    HZ2  LYS  77           HZ2      LYS  77  -0.069  -1.671 -29.580
  583    HZ3  LYS  77           HZ3      LYS  77   1.472  -1.093 -29.689
  584    H    GLY  78           H        GLY  78  -0.058  -3.382 -22.655
  585    HA2  GLY  78           HA2      GLY  78   0.589  -3.538 -20.432
  586    HA3  GLY  78           HA3      GLY  78   1.551  -2.080 -20.660
  587    H    MET  79           H        MET  79   0.996  -1.330 -18.594
  588    HA   MET  79           HA       MET  79  -1.682  -0.032 -18.376
  589    HB2  MET  79           HB2      MET  79  -0.212  -1.498 -16.144
  590    HB3  MET  79           HB3      MET  79  -1.619  -0.449 -15.918
  591    HG2  MET  79           HG2      MET  79  -2.951  -1.925 -17.413
  592    HG3  MET  79           HG3      MET  79  -1.563  -3.007 -17.566
  593    HE1  MET  79           HE1      MET  79  -4.076  -5.091 -15.411
  594    HE2  MET  79           HE2      MET  79  -4.475  -3.954 -16.716
  595    HE3  MET  79           HE3      MET  79  -3.080  -5.047 -16.882
  596    H    LEU  80           H        LEU  80  -1.720   1.960 -17.303
  597    HA   LEU  80           HA       LEU  80   0.714   3.516 -17.557
  598    HB2  LEU  80           HB2      LEU  80  -1.527   4.341 -18.211
  599    HB3  LEU  80           HB3      LEU  80  -2.059   4.234 -16.535
  600    HG   LEU  80           HG       LEU  80  -0.385   5.988 -15.909
  601   HD11  LEU  80          HD11      LEU  80   0.070   6.168 -18.922
  602   HD12  LEU  80          HD12      LEU  80   0.643   7.344 -17.722
  603   HD13  LEU  80          HD13      LEU  80   1.284   5.703 -17.712
  604   HD21  LEU  80          HD21      LEU  80  -1.591   7.858 -16.938
  605   HD22  LEU  80          HD22      LEU  80  -2.271   6.767 -18.167
  606   HD23  LEU  80          HD23      LEU  80  -2.714   6.579 -16.456
  607    H    TYR  81           H        TYR  81   2.028   4.356 -16.004
  608    HA   TYR  81           HA       TYR  81   1.299   4.306 -13.162
  609    HB2  TYR  81           HB2      TYR  81   2.456   2.107 -13.676
  610    HB3  TYR  81           HB3      TYR  81   3.886   3.027 -14.127
  611    HD1  TYR  81           HD2      TYR  81   1.439   2.529 -11.306
  612    HD2  TYR  81           HD1      TYR  81   5.478   3.557 -12.423
  613    HE1  TYR  81           HE2      TYR  81   2.085   2.587  -8.903
  614    HE2  TYR  81           HE1      TYR  81   6.123   3.614 -10.014
  615    HH   TYR  81           HH       TYR  81   3.778   2.940  -7.386
  616    H    ASP  82           H        ASP  82   2.896   5.569 -11.838
  617    HA   ASP  82           HA       ASP  82   3.390   8.104 -13.118
  618    HB2  ASP  82           HB2      ASP  82   2.614   7.796 -10.769
  619    HB3  ASP  82           HB3      ASP  82   4.206   7.144 -10.359
  620    H    SER  83           H        SER  83   5.384   9.299 -13.064
  621    HA   SER  83           HA       SER  83   7.662   7.757 -14.152
  622    HB2  SER  83           HB2      SER  83   6.988   9.717 -15.368
  623    HB3  SER  83           HB3      SER  83   7.142  10.738 -13.922
  624    HG   SER  83           HG       SER  83   8.988  10.649 -15.509
  625    H    ASP  84           H        ASP  84   9.673   7.599 -13.261
  626    HA   ASP  84           HA       ASP  84  10.116   7.781 -10.446
  627    HB2  ASP  84           HB2      ASP  84  12.089   7.765 -12.775
  628    HB3  ASP  84           HB3      ASP  84  12.528   7.567 -11.077
  629    H    SER  85           H        SER  85  10.602  10.187 -13.038
  630    HA   SER  85           HA       SER  85  12.159  12.085 -11.582
  631    HB2  SER  85           HB2      SER  85  10.194  12.322 -13.885
  632    HB3  SER  85           HB3      SER  85  10.929  13.745 -13.162
  633    HG   SER  85           HG       SER  85  12.156  11.649 -14.589
  634    H    GLN  86           H        GLN  86   8.570  11.653 -11.659
  635    HA   GLN  86           HA       GLN  86   8.125  13.992  -9.977
  636    HB2  GLN  86           HB2      GLN  86   6.247  11.677 -10.589
  637    HB3  GLN  86           HB3      GLN  86   5.827  13.207  -9.808
  638    HG2  GLN  86           HG2      GLN  86   6.834  14.297 -11.989
  639    HG3  GLN  86           HG3      GLN  86   6.549  12.699 -12.697
  640   HE21  GLN  86          HE22      GLN  86   4.094  11.843 -11.999
  641   HE22  GLN  86          HE21      GLN  86   2.889  13.095 -12.298
  642    H    GLN  87           H        GLN  87   8.480  10.476  -9.311
  643    HA   GLN  87           HA       GLN  87   7.878  10.685  -6.496
  644    HB2  GLN  87           HB2      GLN  87   9.514   8.666  -8.095
  645    HB3  GLN  87           HB3      GLN  87   9.113   8.480  -6.385
  646    HG2  GLN  87           HG2      GLN  87   7.076   8.683  -8.650
  647    HG3  GLN  87           HG3      GLN  87   7.577   7.200  -7.857
  648   HE21  GLN  87          HE22      GLN  87   4.999   9.181  -7.941
  649   HE22  GLN  87          HE21      GLN  87   4.487   9.060  -6.252
  650    H    ILE  88           H        ILE  88  11.024  10.724  -8.254
  651    HA   ILE  88           HA       ILE  88  12.660  11.206  -5.953
  652    HB   ILE  88           HB       ILE  88  13.039  11.869  -8.891
  653   HG12  ILE  88          HG12      ILE  88  12.928   9.416  -8.261
  654   HG13  ILE  88          HG13      ILE  88  14.383   9.943  -9.079
  655   HG21  ILE  88          HG21      ILE  88  15.489  12.086  -8.332
  656   HG22  ILE  88          HG22      ILE  88  14.484  13.397  -7.718
  657   HG23  ILE  88          HG23      ILE  88  15.042  12.130  -6.616
  658   HD11  ILE  88          HD11      ILE  88  15.662   9.833  -6.997
  659   HD12  ILE  88          HD12      ILE  88  14.186   9.479  -6.072
  660   HD13  ILE  88          HD13      ILE  88  14.790   8.315  -7.258
  661    H    LEU  89           H        LEU  89  11.083  13.578  -8.226
  662    HA   LEU  89           HA       LEU  89  12.008  15.880  -6.850
  663    HB2  LEU  89           HB2      LEU  89  10.964  15.950  -9.091
  664    HB3  LEU  89           HB3      LEU  89   9.439  15.373  -8.433
  665    HG   LEU  89           HG       LEU  89   9.147  17.477  -7.170
  666   HD11  LEU  89          HD11      LEU  89  11.472  18.144  -6.750
  667   HD12  LEU  89          HD12      LEU  89  11.754  18.328  -8.496
  668   HD13  LEU  89          HD13      LEU  89  10.637  19.415  -7.648
  669   HD21  LEU  89          HD21      LEU  89   8.764  18.944  -9.093
  670   HD22  LEU  89          HD22      LEU  89   9.799  17.914 -10.104
  671   HD23  LEU  89          HD23      LEU  89   8.266  17.286  -9.457
  672    H    ASN  90           H        ASN  90   8.945  14.018  -6.272
  673    HA   ASN  90           HA       ASN  90   7.956  15.718  -4.234
  674    HB2  ASN  90           HB2      ASN  90   6.623  13.977  -5.378
  675    HB3  ASN  90           HB3      ASN  90   7.607  12.706  -4.658
  676   HD21  ASN  90          HD22      ASN  90   5.030  15.046  -4.043
  677   HD22  ASN  90          HD21      ASN  90   4.656  14.435  -2.441
  678    H    ARG  91           H        ARG  91   9.991  12.724  -3.847
  679    HA   ARG  91           HA       ARG  91  10.208  13.134  -0.959
  680    HB2  ARG  91           HB2      ARG  91  11.710  11.378  -2.935
  681    HB3  ARG  91           HB3      ARG  91  12.077  11.397  -1.209
  682    HG2  ARG  91           HG2      ARG  91   9.440  10.544  -2.485
  683    HG3  ARG  91           HG3      ARG  91  10.666   9.516  -1.760
  684    HD2  ARG  91           HD2      ARG  91   9.252   9.599   0.001
  685    HD3  ARG  91           HD3      ARG  91  10.248  11.013   0.395
  686    HE   ARG  91           HE       ARG  91   7.966  11.752  -1.254
  687   HH11  ARG  91          HH21      ARG  91   8.631  10.869   2.089
  688   HH12  ARG  91          HH22      ARG  91   7.156  11.596   2.646
  689   HH21  ARG  91          HH11      ARG  91   6.201  12.666  -0.501
  690   HH22  ARG  91          HH12      ARG  91   5.773  12.595   1.200
  691    H    LEU  92           H        LEU  92  12.267  14.233  -3.684
  692    HA   LEU  92           HA       LEU  92  14.354  15.175  -1.921
  693    HB2  LEU  92           HB2      LEU  92  14.678  14.715  -4.327
  694    HB3  LEU  92           HB3      LEU  92  13.554  16.010  -4.741
  695    HG   LEU  92           HG       LEU  92  15.118  17.672  -3.715
  696   HD11  LEU  92          HD11      LEU  92  17.451  16.986  -3.244
  697   HD12  LEU  92          HD12      LEU  92  16.331  16.230  -2.109
  698   HD13  LEU  92          HD13      LEU  92  16.995  15.282  -3.465
  699   HD21  LEU  92          HD21      LEU  92  16.848  17.430  -5.501
  700   HD22  LEU  92          HD22      LEU  92  16.193  15.830  -5.879
  701   HD23  LEU  92          HD23      LEU  92  15.184  17.284  -6.079
  702    H    ARG  93           H        ARG  93  11.420  16.756  -3.301
  703    HA   ARG  93           HA       ARG  93  12.028  19.353  -2.207
  704    HB2  ARG  93           HB2      ARG  93  10.466  18.851  -4.122
  705    HB3  ARG  93           HB3      ARG  93   9.288  18.222  -2.957
  706    HG2  ARG  93           HG2      ARG  93   9.153  20.443  -1.876
  707    HG3  ARG  93           HG3      ARG  93  10.465  21.043  -2.886
  708    HD2  ARG  93           HD2      ARG  93   8.881  20.399  -4.903
  709    HD3  ARG  93           HD3      ARG  93   7.623  20.381  -3.673
  710    HE   ARG  93           HE       ARG  93   7.806  22.709  -3.408
  711   HH11  ARG  93          HH11      ARG  93  10.301  21.703  -5.733
  712   HH12  ARG  93          HH12      ARG  93  10.651  23.406  -6.080
  713   HH21  ARG  93          HH21      ARG  93   8.427  24.813  -4.078
  714   HH22  ARG  93          HH22      ARG  93   9.707  24.935  -5.292
  715    H    GLU  94           H        GLU  94  10.050  16.630  -0.933
  716    HA   GLU  94           HA       GLU  94   9.331  17.994   1.499
  717    HB2  GLU  94           HB2      GLU  94   9.575  15.050   0.790
  718    HB3  GLU  94           HB3      GLU  94   8.939  15.625   2.333
  719    HG2  GLU  94           HG2      GLU  94   7.764  16.405  -0.374
  720    HG3  GLU  94           HG3      GLU  94   7.200  15.049   0.595
  721    H    ARG  95           H        ARG  95  12.099  15.746   0.826
  722    HA   ARG  95           HA       ARG  95  13.302  15.839   3.408
  723    HB2  ARG  95           HB2      ARG  95  14.372  15.451   0.583
  724    HB3  ARG  95           HB3      ARG  95  15.475  15.564   1.956
  725    HG2  ARG  95           HG2      ARG  95  14.483  13.632   3.029
  726    HG3  ARG  95           HG3      ARG  95  13.226  13.522   1.794
  727    HD2  ARG  95           HD2      ARG  95  14.999  11.867   1.390
  728    HD3  ARG  95           HD3      ARG  95  14.895  13.020   0.074
  729    HE   ARG  95           HE       ARG  95  16.928  14.077   0.798
  730   HH11  ARG  95          HH11      ARG  95  16.462  10.976   2.437
  731   HH12  ARG  95          HH12      ARG  95  17.991  11.118   3.253
  732   HH21  ARG  95          HH21      ARG  95  18.903  14.098   1.838
  733   HH22  ARG  95          HH22      ARG  95  19.364  12.754   2.829
  734    H    VAL  96           H        VAL  96  13.707  18.106   0.663
  735    HA   VAL  96           HA       VAL  96  15.699  19.678   2.113
  736    HB   VAL  96           HB       VAL  96  14.357  20.008  -0.587
  737   HG11  VAL  96          HG11      VAL  96  16.562  21.725   0.643
  738   HG12  VAL  96          HG12      VAL  96  16.088  21.727  -1.070
  739   HG13  VAL  96          HG13      VAL  96  14.942  22.273   0.152
  740   HG21  VAL  96          HG21      VAL  96  17.210  19.323   0.286
  741   HG22  VAL  96          HG22      VAL  96  16.020  18.146  -0.316
  742   HG23  VAL  96          HG23      VAL  96  16.628  19.410  -1.385
  743    H    SER  97           H        SER  97  12.171  20.104   1.445
  744    HA   SER  97           HA       SER  97  12.178  22.781   2.476
  745    HB2  SER  97           HB2      SER  97   9.798  22.724   2.348
  746    HB3  SER  97           HB3      SER  97  10.468  21.954   0.902
  747    HG   SER  97           HG       SER  97   8.703  20.767   1.826
  748    H    GLY  98           H        GLY  98  11.335  19.590   3.901
  749    HA2  GLY  98           HA2      GLY  98  11.366  18.833   6.064
  750    HA3  GLY  98           HA3      GLY  98  12.238  20.288   6.541
  751    H    SER  99           H        SER  99  10.757  19.524   8.459
  752    HA   SER  99           HA       SER  99   7.978  20.125   8.457
  753    HB2  SER  99           HB2      SER  99   9.904  20.136  10.811
  754    HB3  SER  99           HB3      SER  99   8.139  19.980  10.890
  755    HG   SER  99           HG       SER  99   9.187  17.930  10.995
  756    H    THR 100           H        THR 100  10.723  22.291   8.820
  757    HA   THR 100           HA       THR 100   9.341  24.446  10.174
  758    HB   THR 100           HB       THR 100  11.336  25.799   9.454
  759    HG1  THR 100           HG1      THR 100  13.018  24.672   8.447
  760   HG21  THR 100          HG21      THR 100  12.943  24.614  10.868
  761   HG22  THR 100          HG22      THR 100  11.326  24.533  11.587
  762   HG23  THR 100          HG23      THR 100  11.997  23.116  10.751
  763    H    ALA 101           H        ALA 101   9.182  23.423   6.884
  764    HA   ALA 101           HA       ALA 101   8.443  26.001   5.762
  765    HB1  ALA 101           HB1      ALA 101   9.418  24.182   4.421
  766    HB2  ALA 101           HB2      ALA 101   8.001  23.158   4.758
  767    HB3  ALA 101           HB3      ALA 101   7.821  24.645   3.805
  768    H    GLN 102           H        GLN 102   6.728  23.850   7.841
  769    HA   GLN 102           HA       GLN 102   4.054  24.312   6.841
  770    HB2  GLN 102           HB2      GLN 102   4.815  22.363   8.230
  771    HB3  GLN 102           HB3      GLN 102   4.940  23.450   9.623
  772    HG2  GLN 102           HG2      GLN 102   2.511  23.905   9.489
  773    HG3  GLN 102           HG3      GLN 102   2.389  22.921   8.024
  774   HE21  GLN 102          HE22      GLN 102   2.994  22.802  11.558
  775   HE22  GLN 102          HE21      GLN 102   2.655  21.069  11.691
  776    H    SER 103           H        SER 103   2.486  25.779   7.524
  777    HA   SER 103           HA       SER 103   3.396  28.358   8.295
  778    HB2  SER 103           HB2      SER 103   0.542  27.325   8.168
  779    HB3  SER 103           HB3      SER 103   1.065  29.019   8.098
  780    HG   SER 103           HG       SER 103   0.671  28.159   5.996
  781    H    ALA 104           H        ALA 104   2.607  25.789  10.373
  782    HA   ALA 104           HA       ALA 104   2.519  27.526  12.750
  783    HB1  ALA 104           HB1      ALA 104   0.422  25.385  12.170
  784    HB2  ALA 104           HB2      ALA 104   0.587  26.312  13.677
  785    HB3  ALA 104           HB3      ALA 104   0.140  27.145  12.176
  Start of MODEL   20
    1    H1   SER   1           H1       SER   1   5.731 -16.044  -8.284
    2    H2   SER   1           H2       SER   1   4.513 -15.351  -7.432
    3    H3   SER   1           H3       SER   1   4.556 -15.207  -9.062
    4    HA   SER   1           HA       SER   1   6.586 -13.924  -8.973
    5    HB2  SER   1           HB2      SER   1   4.359 -12.729  -7.273
    6    HB3  SER   1           HB3      SER   1   5.622 -11.839  -8.152
    7    HG   SER   1           HG       SER   1   3.669 -11.962  -9.363
    8    H    VAL   2           H        VAL   2   8.143 -12.736  -7.728
    9    HA   VAL   2           HA       VAL   2   8.583 -13.826  -4.965
   10    HB   VAL   2           HB       VAL   2  10.976 -13.763  -5.397
   11   HG11  VAL   2          HG11      VAL   2   9.689 -15.826  -5.830
   12   HG12  VAL   2          HG12      VAL   2   9.514 -15.354  -7.536
   13   HG13  VAL   2          HG13      VAL   2  11.121 -15.681  -6.864
   14   HG21  VAL   2          HG21      VAL   2  11.904 -13.435  -7.618
   15   HG22  VAL   2          HG22      VAL   2  10.307 -13.094  -8.299
   16   HG23  VAL   2          HG23      VAL   2  11.044 -11.969  -7.136
   17    H    SER   3           H        SER   3   7.535 -11.038  -6.157
   18    HA   SER   3           HA       SER   3   9.331  -9.043  -5.299
   19    HB2  SER   3           HB2      SER   3   6.294  -8.879  -5.390
   20    HB3  SER   3           HB3      SER   3   7.436  -7.522  -5.445
   21    HG   SER   3           HG       SER   3   6.722  -8.127  -7.556
   22    H    ILE   4           H        ILE   4   9.718  -7.979  -3.416
   23    HA   ILE   4           HA       ILE   4   8.924  -9.245  -0.954
   24    HB   ILE   4           HB       ILE   4  10.374  -7.816   0.185
   25   HG12  ILE   4          HG12      ILE   4   9.917  -5.615  -0.624
   26   HG13  ILE   4          HG13      ILE   4  11.627  -5.956  -0.723
   27   HG21  ILE   4          HG21      ILE   4  11.380  -9.622  -1.127
   28   HG22  ILE   4          HG22      ILE   4  11.683  -8.511  -2.473
   29   HG23  ILE   4          HG23      ILE   4  12.485  -8.255  -0.913
   30   HD11  ILE   4          HD11      ILE   4  11.403  -6.292  -3.200
   31   HD12  ILE   4          HD12      ILE   4   9.686  -5.827  -3.064
   32   HD13  ILE   4          HD13      ILE   4  10.955  -4.674  -2.645
   33    H    LEU   5           H        LEU   5   7.464  -6.700  -2.686
   34    HA   LEU   5           HA       LEU   5   5.429  -6.342  -0.562
   35    HB2  LEU   5           HB2      LEU   5   6.837  -4.084  -2.072
   36    HB3  LEU   5           HB3      LEU   5   5.329  -3.871  -1.198
   37    HG   LEU   5           HG       LEU   5   7.942  -4.693   0.122
   38   HD11  LEU   5          HD11      LEU   5   6.545  -1.992  -0.006
   39   HD12  LEU   5          HD12      LEU   5   7.994  -2.380   0.951
   40   HD13  LEU   5          HD13      LEU   5   8.062  -2.427  -0.820
   41   HD21  LEU   5          HD21      LEU   5   6.774  -4.052   2.211
   42   HD22  LEU   5          HD22      LEU   5   5.278  -3.775   1.294
   43   HD23  LEU   5          HD23      LEU   5   5.969  -5.409   1.420
   44    H    ARG   6           H        ARG   6   3.338  -5.893  -1.407
   45    HA   ARG   6           HA       ARG   6   2.753  -6.769  -4.114
   46    HB2  ARG   6           HB2      ARG   6   1.050  -5.289  -2.059
   47    HB3  ARG   6           HB3      ARG   6   0.444  -5.927  -3.593
   48    HG2  ARG   6           HG2      ARG   6   1.178  -8.217  -2.930
   49    HG3  ARG   6           HG3      ARG   6   1.670  -7.597  -1.349
   50    HD2  ARG   6           HD2      ARG   6  -1.154  -7.467  -2.502
   51    HD3  ARG   6           HD3      ARG   6  -0.600  -8.679  -1.362
   52    HE   ARG   6           HE       ARG   6  -1.265  -5.868  -0.813
   53   HH11  ARG   6          HH11      ARG   6   0.255  -8.717   0.561
   54   HH12  ARG   6          HH12      ARG   6   0.102  -8.121   2.191
   55   HH21  ARG   6          HH21      ARG   6  -1.407  -5.164   1.277
   56   HH22  ARG   6          HH22      ARG   6  -0.821  -6.156   2.580
   57    H    SER   7           H        SER   7   3.476  -3.633  -2.780
   58    HA   SER   7           HA       SER   7   2.813  -2.107  -5.181
   59    HB2  SER   7           HB2      SER   7   3.908  -0.269  -3.899
   60    HB3  SER   7           HB3      SER   7   2.610  -1.083  -3.008
   61    HG   SER   7           HG       SER   7   4.523  -0.799  -1.726
   62    H    SER   8           H        SER   8   5.222  -4.311  -4.729
   63    HA   SER   8           HA       SER   8   7.121  -4.876  -5.708
   64    HB2  SER   8           HB2      SER   8   5.875  -4.174  -7.738
   65    HB3  SER   8           HB3      SER   8   6.711  -2.609  -7.669
   66    HG   SER   8           HG       SER   8   7.759  -4.192  -9.037
   67    H    VAL   9           H        VAL   9   7.089  -1.365  -5.119
   68    HA   VAL   9           HA       VAL   9   9.971  -1.467  -4.298
   69    HB   VAL   9           HB       VAL   9   8.591   0.650  -5.992
   70   HG11  VAL   9          HG11      VAL   9  11.448   0.595  -4.938
   71   HG12  VAL   9          HG12      VAL   9  10.811   1.750  -6.122
   72   HG13  VAL   9          HG13      VAL   9  10.183   1.759  -4.481
   73   HG21  VAL   9          HG21      VAL   9   9.244  -1.290  -7.336
   74   HG22  VAL   9          HG22      VAL   9  10.364   0.029  -7.666
   75   HG23  VAL   9          HG23      VAL   9  10.861  -1.296  -6.600
   76    H    ASN  10           H        ASN  10  10.503  -0.357  -2.478
   77    HA   ASN  10           HA       ASN  10   8.301   0.755  -0.832
   78    HB2  ASN  10           HB2      ASN  10   9.986  -0.976  -0.025
   79    HB3  ASN  10           HB3      ASN  10  11.226   0.268  -0.106
   80   HD21  ASN  10          HD22      ASN  10  11.128  -0.738   2.289
   81   HD22  ASN  10          HD21      ASN  10  10.161   0.232   3.388
   82    H    HIS  11           H        HIS  11   8.431   2.900   0.175
   83    HA   HIS  11           HA       HIS  11   9.451   4.970  -1.595
   84    HB2  HIS  11           HB2      HIS  11   8.637   6.536   0.042
   85    HB3  HIS  11           HB3      HIS  11   7.439   5.267  -0.217
   86    HD2  HIS  11           HD2      HIS  11   6.579   4.025   1.938
   87    HE1  HIS  11           HE1      HIS  11   9.412   5.516   4.748
   88    HE2  HIS  11           HE2      HIS  11   7.290   4.143   4.468
   89    H    ARG  12           H        ARG  12  10.844   3.387   1.253
   90    HA   ARG  12           HA       ARG  12  13.126   5.103   1.534
   91    HB2  ARG  12           HB2      ARG  12  12.773   2.132   2.106
   92    HB3  ARG  12           HB3      ARG  12  14.208   3.070   2.544
   93    HG2  ARG  12           HG2      ARG  12  12.801   4.627   3.889
   94    HG3  ARG  12           HG3      ARG  12  11.371   3.646   3.522
   95    HD2  ARG  12           HD2      ARG  12  12.389   1.698   4.626
   96    HD3  ARG  12           HD3      ARG  12  13.856   2.644   4.965
   97    HE   ARG  12           HE       ARG  12  11.779   4.161   6.056
   98   HH11  ARG  12          HH21      ARG  12  13.006   0.930   6.757
   99   HH12  ARG  12          HH22      ARG  12  12.459   1.024   8.409
  100   HH21  ARG  12          HH11      ARG  12  11.163   4.219   7.989
  101   HH22  ARG  12          HH12      ARG  12  11.414   2.895   9.144
  102    H    GLU  13           H        GLU  13  12.465   2.665  -0.937
  103    HA   GLU  13           HA       GLU  13  15.219   2.637  -1.929
  104    HB2  GLU  13           HB2      GLU  13  12.630   1.790  -3.254
  105    HB3  GLU  13           HB3      GLU  13  14.240   1.584  -3.936
  106    HG2  GLU  13           HG2      GLU  13  14.918   0.180  -2.039
  107    HG3  GLU  13           HG3      GLU  13  13.349   0.407  -1.270
  108    H    VAL  14           H        VAL  14  12.277   4.569  -2.641
  109    HA   VAL  14           HA       VAL  14  13.493   6.173  -4.725
  110    HB   VAL  14           HB       VAL  14  11.251   6.938  -2.807
  111   HG11  VAL  14          HG11      VAL  14  12.170   8.874  -4.065
  112   HG12  VAL  14          HG12      VAL  14  11.865   7.990  -5.588
  113   HG13  VAL  14          HG13      VAL  14  10.518   8.473  -4.546
  114   HG21  VAL  14          HG21      VAL  14  11.111   5.599  -5.546
  115   HG22  VAL  14          HG22      VAL  14  10.646   4.854  -3.999
  116   HG23  VAL  14          HG23      VAL  14   9.720   6.219  -4.630
  117    H    ASP  15           H        ASP  15  13.346   6.541  -1.151
  118    HA   ASP  15           HA       ASP  15  14.848   8.989  -1.059
  119    HB2  ASP  15           HB2      ASP  15  13.420   7.894   0.753
  120    HB3  ASP  15           HB3      ASP  15  14.782   6.823   1.063
  121    H    GLU  16           H        GLU  16  15.938   5.551  -0.838
  122    HA   GLU  16           HA       GLU  16  18.732   6.053  -0.681
  123    HB2  GLU  16           HB2      GLU  16  17.762   3.838  -0.285
  124    HB3  GLU  16           HB3      GLU  16  17.146   3.788  -1.931
  125    HG2  GLU  16           HG2      GLU  16  19.097   2.386  -1.758
  126    HG3  GLU  16           HG3      GLU  16  19.383   3.717  -2.871
  127    H    ALA  17           H        ALA  17  16.580   5.884  -3.583
  128    HA   ALA  17           HA       ALA  17  18.702   6.187  -5.452
  129    HB1  ALA  17           HB1      ALA  17  15.762   6.955  -5.681
  130    HB2  ALA  17           HB2      ALA  17  16.904   6.833  -7.035
  131    HB3  ALA  17           HB3      ALA  17  16.482   5.388  -6.100
  132    H    ILE  18           H        ILE  18  16.672   8.649  -3.739
  133    HA   ILE  18           HA       ILE  18  17.940  10.972  -4.832
  134    HB   ILE  18           HB       ILE  18  16.559  10.406  -2.200
  135   HG12  ILE  18          HG12      ILE  18  15.837  12.318  -4.453
  136   HG13  ILE  18          HG13      ILE  18  15.348  10.621  -4.435
  137   HG21  ILE  18          HG21      ILE  18  16.649  12.843  -1.670
  138   HG22  ILE  18          HG22      ILE  18  18.223  12.079  -1.577
  139   HG23  ILE  18          HG23      ILE  18  17.814  13.072  -2.989
  140   HD11  ILE  18          HD11      ILE  18  13.525  11.935  -3.614
  141   HD12  ILE  18          HD12      ILE  18  14.171  10.979  -2.270
  142   HD13  ILE  18          HD13      ILE  18  14.533  12.717  -2.386
  143    H    ASP  19           H        ASP  19  18.978   9.014  -1.944
  144    HA   ASP  19           HA       ASP  19  21.356  10.582  -1.518
  145    HB2  ASP  19           HB2      ASP  19  20.485   7.799  -0.682
  146    HB3  ASP  19           HB3      ASP  19  22.099   8.410  -0.320
  147    H    ASN  20           H        ASN  20  20.842   7.680  -3.583
  148    HA   ASN  20           HA       ASN  20  23.574   7.341  -4.309
  149    HB2  ASN  20           HB2      ASN  20  21.688   5.706  -4.648
  150    HB3  ASN  20           HB3      ASN  20  21.059   6.731  -5.935
  151   HD21  ASN  20          HD22      ASN  20  21.316   4.614  -7.145
  152   HD22  ASN  20          HD21      ASN  20  22.898   4.306  -7.847
  153    H    ILE  21           H        ILE  21  20.974   9.331  -5.839
  154    HA   ILE  21           HA       ILE  21  22.644  10.475  -7.897
  155    HB   ILE  21           HB       ILE  21  20.058  11.352  -6.564
  156   HG12  ILE  21          HG12      ILE  21  20.541  10.551  -9.461
  157   HG13  ILE  21          HG13      ILE  21  20.270   9.327  -8.217
  158   HG21  ILE  21          HG21      ILE  21  21.715  12.765  -8.687
  159   HG22  ILE  21          HG22      ILE  21  19.963  13.014  -8.558
  160   HG23  ILE  21          HG23      ILE  21  21.009  13.441  -7.206
  161   HD11  ILE  21          HD11      ILE  21  18.090  10.362  -7.628
  162   HD12  ILE  21          HD12      ILE  21  18.311  11.544  -8.929
  163   HD13  ILE  21          HD13      ILE  21  18.165   9.818  -9.313
  164    H    LEU  22           H        LEU  22  21.857  11.601  -4.564
  165    HA   LEU  22           HA       LEU  22  23.311  14.007  -4.632
  166    HB2  LEU  22           HB2      LEU  22  21.655  13.192  -2.912
  167    HB3  LEU  22           HB3      LEU  22  22.873  12.066  -2.323
  168    HG   LEU  22           HG       LEU  22  24.329  14.025  -1.730
  169   HD11  LEU  22          HD11      LEU  22  23.173  16.233  -1.517
  170   HD12  LEU  22          HD12      LEU  22  23.373  15.752  -3.204
  171   HD13  LEU  22          HD13      LEU  22  21.786  15.574  -2.421
  172   HD21  LEU  22          HD21      LEU  22  22.982  14.619   0.267
  173   HD22  LEU  22          HD22      LEU  22  21.558  13.855  -0.481
  174   HD23  LEU  22          HD23      LEU  22  22.984  12.882  -0.057
  175    H    ARG  23           H        ARG  23  24.490  10.720  -3.738
  176    HA   ARG  23           HA       ARG  23  27.222  11.573  -3.335
  177    HB2  ARG  23           HB2      ARG  23  26.314   9.595  -2.229
  178    HB3  ARG  23           HB3      ARG  23  25.956   8.830  -3.775
  179    HG2  ARG  23           HG2      ARG  23  27.951   7.855  -2.742
  180    HG3  ARG  23           HG3      ARG  23  28.324   8.597  -4.291
  181    HD2  ARG  23           HD2      ARG  23  29.152  10.659  -2.966
  182    HD3  ARG  23           HD3      ARG  23  28.937   9.684  -1.517
  183    HE   ARG  23           HE       ARG  23  30.812   8.423  -2.067
  184   HH11  ARG  23          HH11      ARG  23  30.090  10.422  -4.908
  185   HH12  ARG  23          HH12      ARG  23  31.642  10.060  -5.616
  186   HH21  ARG  23          HH21      ARG  23  32.733   8.040  -3.066
  187   HH22  ARG  23          HH22      ARG  23  33.084   8.747  -4.615
  188    H    TYR  24           H        TYR  24  25.550  10.190  -6.209
  189    HA   TYR  24           HA       TYR  24  27.914   9.888  -7.795
  190    HB2  TYR  24           HB2      TYR  24  25.818   8.734  -8.246
  191    HB3  TYR  24           HB3      TYR  24  24.982  10.260  -8.499
  192    HD1  TYR  24           HD2      TYR  24  28.066   8.515  -9.821
  193    HD2  TYR  24           HD1      TYR  24  24.482  10.757 -10.715
  194    HE1  TYR  24           HE2      TYR  24  28.554   8.340 -12.265
  195    HE2  TYR  24           HE1      TYR  24  24.962  10.549 -13.150
  196    HH   TYR  24           HH       TYR  24  26.392   9.724 -14.764
  197    H    THR  25           H        THR  25  25.595  12.627  -7.533
  198    HA   THR  25           HA       THR  25  27.123  14.349  -9.343
  199    HB   THR  25           HB       THR  25  25.680  16.153  -8.495
  200    HG1  THR  25           HG1      THR  25  24.305  14.225  -6.967
  201   HG21  THR  25          HG21      THR  25  24.137  13.619  -9.219
  202   HG22  THR  25          HG22      THR  25  23.502  15.276  -9.258
  203   HG23  THR  25          HG23      THR  25  24.817  14.805 -10.351
  204    H    ASN  26           H        ASN  26  27.604  13.426  -6.074
  205    HA   ASN  26           HA       ASN  26  28.767  14.191  -4.331
  206    HB2  ASN  26           HB2      ASN  26  30.535  13.625  -6.048
  207    HB3  ASN  26           HB3      ASN  26  30.661  15.346  -6.402
  208   HD21  ASN  26          HD22      ASN  26  32.968  14.961  -5.741
  209   HD22  ASN  26          HD21      ASN  26  33.340  14.998  -4.030
  210    H    SER  27           H        SER  27  26.608  15.752  -4.788
  211    HA   SER  27           HA       SER  27  27.514  18.572  -4.260
  212    HB2  SER  27           HB2      SER  27  26.450  18.024  -6.534
  213    HB3  SER  27           HB3      SER  27  24.939  17.795  -5.635
  214    HG   SER  27           HG       SER  27  26.533  20.147  -5.943
  215    H    THR  28           H        THR  28  25.284  19.804  -3.587
  216    HA   THR  28           HA       THR  28  24.468  18.549  -0.997
  217    HB   THR  28           HB       THR  28  25.636  20.604  -0.661
  218    HG1  THR  28           HG1      THR  28  24.134  21.464   0.679
  219   HG21  THR  28          HG21      THR  28  25.150  21.818  -2.780
  220   HG22  THR  28          HG22      THR  28  23.456  22.007  -2.262
  221   HG23  THR  28          HG23      THR  28  24.766  22.777  -1.352
  222    H    GLU  29           H        GLU  29  22.317  18.650  -0.290
  223    HA   GLU  29           HA       GLU  29  20.483  17.722  -2.254
  224    HB2  GLU  29           HB2      GLU  29  19.918  18.752   0.555
  225    HB3  GLU  29           HB3      GLU  29  18.861  17.702  -0.408
  226    HG2  GLU  29           HG2      GLU  29  20.502  15.922  -0.390
  227    HG3  GLU  29           HG3      GLU  29  21.654  16.910   0.519
  228    H    GLN  30           H        GLN  30  20.896  20.974  -0.856
  229    HA   GLN  30           HA       GLN  30  18.497  22.147  -1.925
  230    HB2  GLN  30           HB2      GLN  30  21.206  23.444  -1.352
  231    HB3  GLN  30           HB3      GLN  30  19.670  24.288  -1.586
  232    HG2  GLN  30           HG2      GLN  30  18.754  23.082   0.428
  233    HG3  GLN  30           HG3      GLN  30  20.361  22.394   0.695
  234   HE21  GLN  30          HE22      GLN  30  22.171  23.933   1.228
  235   HE22  GLN  30          HE21      GLN  30  21.747  25.488   1.923
  236    H    GLN  31           H        GLN  31  21.792  21.759  -3.310
  237    HA   GLN  31           HA       GLN  31  21.180  23.233  -5.719
  238    HB2  GLN  31           HB2      GLN  31  23.467  22.791  -4.644
  239    HB3  GLN  31           HB3      GLN  31  23.367  21.156  -5.292
  240    HG2  GLN  31           HG2      GLN  31  24.679  22.484  -6.791
  241    HG3  GLN  31           HG3      GLN  31  23.143  22.153  -7.597
  242   HE21  GLN  31          HE22      GLN  31  24.817  24.715  -5.618
  243   HE22  GLN  31          HE21      GLN  31  23.957  26.030  -6.396
  244    H    PHE  32           H        PHE  32  21.059  19.732  -4.875
  245    HA   PHE  32           HA       PHE  32  20.230  18.841  -7.483
  246    HB2  PHE  32           HB2      PHE  32  21.114  17.351  -5.768
  247    HB3  PHE  32           HB3      PHE  32  19.760  17.718  -4.707
  248    HD1  PHE  32           HD2      PHE  32  19.034  17.098  -8.327
  249    HD2  PHE  32           HD1      PHE  32  19.477  15.299  -4.421
  250    HE1  PHE  32           HE2      PHE  32  17.746  15.137  -9.083
  251    HE2  PHE  32           HE1      PHE  32  18.222  13.312  -5.217
  252    HZ   PHE  32           HZ       PHE  32  17.302  13.254  -7.525
  253    H    LEU  33           H        LEU  33  18.260  19.921  -4.631
  254    HA   LEU  33           HA       LEU  33  15.753  19.639  -5.953
  255    HB2  LEU  33           HB2      LEU  33  16.029  19.834  -3.560
  256    HB3  LEU  33           HB3      LEU  33  16.641  21.469  -3.688
  257    HG   LEU  33           HG       LEU  33  14.290  21.186  -2.832
  258   HD11  LEU  33          HD11      LEU  33  14.401  22.929  -5.307
  259   HD12  LEU  33          HD12      LEU  33  13.368  23.106  -3.885
  260   HD13  LEU  33          HD13      LEU  33  15.116  23.344  -3.735
  261   HD21  LEU  33          HD21      LEU  33  12.462  20.852  -4.424
  262   HD22  LEU  33          HD22      LEU  33  13.602  20.569  -5.740
  263   HD23  LEU  33          HD23      LEU  33  13.511  19.420  -4.383
  264    H    GLU  34           H        GLU  34  17.906  22.508  -5.807
  265    HA   GLU  34           HA       GLU  34  16.233  24.175  -7.403
  266    HB2  GLU  34           HB2      GLU  34  19.202  24.156  -6.805
  267    HB3  GLU  34           HB3      GLU  34  18.489  25.370  -7.865
  268    HG2  GLU  34           HG2      GLU  34  17.430  24.878  -5.060
  269    HG3  GLU  34           HG3      GLU  34  18.768  25.974  -5.382
  270    H    ALA  35           H        ALA  35  18.768  21.873  -8.433
  271    HA   ALA  35           HA       ALA  35  18.534  22.508 -11.248
  272    HB1  ALA  35           HB1      ALA  35  19.482  19.972  -9.848
  273    HB2  ALA  35           HB2      ALA  35  19.775  20.401 -11.550
  274    HB3  ALA  35           HB3      ALA  35  20.477  21.391 -10.253
  275    H    MET  36           H        MET  36  16.816  20.147  -9.135
  276    HA   MET  36           HA       MET  36  15.230  19.000 -11.269
  277    HB2  MET  36           HB2      MET  36  14.932  19.147  -8.249
  278    HB3  MET  36           HB3      MET  36  13.724  18.379  -9.277
  279    HG2  MET  36           HG2      MET  36  16.662  17.631  -9.403
  280    HG3  MET  36           HG3      MET  36  15.555  16.860  -8.285
  281    HE1  MET  36           HE1      MET  36  12.925  16.251  -9.547
  282    HE2  MET  36           HE2      MET  36  13.208  14.725 -10.409
  283    HE3  MET  36           HE3      MET  36  13.939  14.999  -8.813
  284    H    GLU  37           H        GLU  37  14.543  21.788  -9.028
  285    HA   GLU  37           HA       GLU  37  11.996  22.362 -10.228
  286    HB2  GLU  37           HB2      GLU  37  13.987  24.078  -8.719
  287    HB3  GLU  37           HB3      GLU  37  12.398  24.662  -9.197
  288    HG2  GLU  37           HG2      GLU  37  12.698  22.159  -7.482
  289    HG3  GLU  37           HG3      GLU  37  12.732  23.779  -6.797
  290    H    SER  38           H        SER  38  15.298  23.535 -11.037
  291    HA   SER  38           HA       SER  38  14.602  25.308 -13.138
  292    HB2  SER  38           HB2      SER  38  16.814  25.161 -12.081
  293    HB3  SER  38           HB3      SER  38  17.046  23.539 -12.743
  294    HG   SER  38           HG       SER  38  16.791  25.976 -14.216
  295    H    THR  39           H        THR  39  14.758  21.757 -13.162
  296    HA   THR  39           HA       THR  39  14.500  21.699 -16.142
  297    HB   THR  39           HB       THR  39  15.154  19.333 -15.956
  298    HG1  THR  39           HG1      THR  39  15.874  19.882 -13.300
  299   HG21  THR  39          HG21      THR  39  17.500  19.700 -15.257
  300   HG22  THR  39          HG22      THR  39  16.916  20.958 -16.367
  301   HG23  THR  39          HG23      THR  39  17.073  21.303 -14.639
  302    H    GLY  40           H        GLY  40  12.382  21.659 -13.571
  303    HA2  GLY  40           HA2      GLY  40  10.133  21.162 -13.517
  304    HA3  GLY  40           HA3      GLY  40  10.218  20.580 -15.186
  305    H    GLY  41           H        GLY  41  12.269  19.316 -12.586
  306    HA2  GLY  41           HA2      GLY  41  12.204  17.351 -11.378
  307    HA3  GLY  41           HA3      GLY  41  10.613  16.958 -12.040
  308    H    ARG  42           H        ARG  42  13.256  17.624 -14.320
  309    HA   ARG  42           HA       ARG  42  13.090  14.789 -15.254
  310    HB2  ARG  42           HB2      ARG  42  14.084  17.394 -16.431
  311    HB3  ARG  42           HB3      ARG  42  14.717  15.880 -17.054
  312    HG2  ARG  42           HG2      ARG  42  11.735  16.443 -16.900
  313    HG3  ARG  42           HG3      ARG  42  12.749  16.856 -18.295
  314    HD2  ARG  42           HD2      ARG  42  13.465  14.439 -18.442
  315    HD3  ARG  42           HD3      ARG  42  12.268  14.063 -17.183
  316    HE   ARG  42           HE       ARG  42  10.995  15.540 -19.282
  317   HH11  ARG  42          HH11      ARG  42  12.225  12.296 -18.746
  318   HH12  ARG  42          HH12      ARG  42  11.140  11.599 -19.917
  319   HH21  ARG  42          HH21      ARG  42   9.637  14.583 -20.746
  320   HH22  ARG  42          HH22      ARG  42   9.711  12.867 -21.011
  321    H    VAL  43           H        VAL  43  14.158  13.650 -13.703
  322    HA   VAL  43           HA       VAL  43  16.452  14.345 -12.281
  323    HB   VAL  43           HB       VAL  43  15.613  11.566 -13.207
  324   HG11  VAL  43          HG11      VAL  43  16.869  10.766 -11.197
  325   HG12  VAL  43          HG12      VAL  43  17.941  11.449 -12.421
  326   HG13  VAL  43          HG13      VAL  43  17.529  12.406 -10.982
  327   HG21  VAL  43          HG21      VAL  43  15.109  13.047 -10.584
  328   HG22  VAL  43          HG22      VAL  43  13.884  12.766 -11.845
  329   HG23  VAL  43          HG23      VAL  43  14.578  11.397 -10.978
  330    H    ARG  44           H        ARG  44  16.456  12.701 -15.512
  331    HA   ARG  44           HA       ARG  44  19.273  12.428 -15.681
  332    HB2  ARG  44           HB2      ARG  44  18.973  12.007 -18.007
  333    HB3  ARG  44           HB3      ARG  44  17.694  11.230 -17.091
  334    HG2  ARG  44           HG2      ARG  44  16.132  13.144 -17.777
  335    HG3  ARG  44           HG3      ARG  44  17.443  13.748 -18.798
  336    HD2  ARG  44           HD2      ARG  44  16.157  10.999 -19.026
  337    HD3  ARG  44           HD3      ARG  44  15.769  12.371 -20.047
  338    HE   ARG  44           HE       ARG  44  18.172  10.671 -20.136
  339   HH11  ARG  44          HH11      ARG  44  16.756  13.626 -21.427
  340   HH12  ARG  44          HH12      ARG  44  17.910  13.696 -22.726
  341   HH21  ARG  44          HH22      ARG  44  19.597  10.847 -21.818
  342   HH22  ARG  44          HH21      ARG  44  19.454  12.157 -22.951
  343    H    ILE  45           H        ILE  45  17.277  15.239 -16.564
  344    HA   ILE  45           HA       ILE  45  19.551  16.685 -17.729
  345    HB   ILE  45           HB       ILE  45  16.833  17.806 -16.978
  346   HG12  ILE  45          HG12      ILE  45  17.768  16.602 -19.630
  347   HG13  ILE  45          HG13      ILE  45  16.548  15.911 -18.558
  348   HG21  ILE  45          HG21      ILE  45  17.411  19.589 -18.573
  349   HG22  ILE  45          HG22      ILE  45  18.710  19.470 -17.398
  350   HG23  ILE  45          HG23      ILE  45  18.915  18.761 -19.006
  351   HD11  ILE  45          HD11      ILE  45  16.272  18.450 -20.195
  352   HD12  ILE  45          HD12      ILE  45  15.375  16.935 -20.347
  353   HD13  ILE  45          HD13      ILE  45  15.127  17.959 -18.919
  354    H    ALA  46           H        ALA  46  17.816  16.631 -14.586
  355    HA   ALA  46           HA       ALA  46  19.193  18.823 -13.404
  356    HB1  ALA  46           HB1      ALA  46  18.372  17.868 -11.282
  357    HB2  ALA  46           HB2      ALA  46  17.105  17.833 -12.524
  358    HB3  ALA  46           HB3      ALA  46  17.974  16.344 -12.099
  359    H    ILE  47           H        ILE  47  19.973  15.259 -13.259
  360    HA   ILE  47           HA       ILE  47  22.433  15.766 -11.844
  361    HB   ILE  47           HB       ILE  47  22.996  13.476 -12.121
  362   HG12  ILE  47          HG12      ILE  47  20.783  13.292 -14.185
  363   HG13  ILE  47          HG13      ILE  47  22.509  13.078 -14.464
  364   HG21  ILE  47          HG21      ILE  47  21.144  12.495 -10.968
  365   HG22  ILE  47          HG22      ILE  47  21.210  14.208 -10.514
  366   HG23  ILE  47          HG23      ILE  47  19.994  13.638 -11.667
  367   HD11  ILE  47          HD11      ILE  47  20.691  11.225 -12.873
  368   HD12  ILE  47          HD12      ILE  47  21.481  10.910 -14.424
  369   HD13  ILE  47          HD13      ILE  47  22.466  11.071 -12.953
  370    H    ALA  48           H        ALA  48  21.731  15.512 -15.376
  371    HA   ALA  48           HA       ALA  48  24.412  15.787 -16.257
  372    HB1  ALA  48           HB1      ALA  48  21.806  16.850 -17.430
  373    HB2  ALA  48           HB2      ALA  48  23.351  16.728 -18.303
  374    HB3  ALA  48           HB3      ALA  48  22.530  15.260 -17.739
  375    H    LYS  49           H        LYS  49  22.083  18.417 -15.306
  376    HA   LYS  49           HA       LYS  49  23.974  20.547 -15.766
  377    HB2  LYS  49           HB2      LYS  49  21.438  20.389 -14.083
  378    HB3  LYS  49           HB3      LYS  49  22.429  21.848 -14.205
  379    HG2  LYS  49           HG2      LYS  49  22.190  21.777 -16.705
  380    HG3  LYS  49           HG3      LYS  49  21.121  20.395 -16.540
  381    HD2  LYS  49           HD2      LYS  49  19.736  22.282 -16.854
  382    HD3  LYS  49           HD3      LYS  49  19.564  21.851 -15.142
  383    HE2  LYS  49           HE2      LYS  49  21.050  23.670 -14.475
  384    HE3  LYS  49           HE3      LYS  49  21.516  23.970 -16.155
  385    HZ1  LYS  49           HZ1      LYS  49  19.891  25.599 -15.437
  386    HZ2  LYS  49           HZ2      LYS  49  19.224  24.687 -16.607
  387    HZ3  LYS  49           HZ3      LYS  49  18.782  24.470 -15.043
  388    H    LEU  50           H        LEU  50  23.321  18.642 -12.772
  389    HA   LEU  50           HA       LEU  50  25.241  20.085 -11.164
  390    HB2  LEU  50           HB2      LEU  50  23.983  17.320 -11.076
  391    HB3  LEU  50           HB3      LEU  50  25.428  17.591 -10.135
  392    HG   LEU  50           HG       LEU  50  23.578  17.820  -8.694
  393   HD11  LEU  50          HD11      LEU  50  24.023  19.890  -7.664
  394   HD12  LEU  50          HD12      LEU  50  25.536  19.404  -8.439
  395   HD13  LEU  50          HD13      LEU  50  24.522  20.665  -9.183
  396   HD21  LEU  50          HD21      LEU  50  21.797  18.391 -10.210
  397   HD22  LEU  50          HD22      LEU  50  21.895  19.622  -8.937
  398   HD23  LEU  50          HD23      LEU  50  22.532  19.978 -10.556
  399    H    LEU  51           H        LEU  51  25.703  17.202 -13.291
  400    HA   LEU  51           HA       LEU  51  28.514  16.965 -12.650
  401    HB2  LEU  51           HB2      LEU  51  26.792  15.920 -14.933
  402    HB3  LEU  51           HB3      LEU  51  28.488  15.486 -14.728
  403    HG   LEU  51           HG       LEU  51  26.393  14.958 -12.573
  404   HD11  LEU  51          HD11      LEU  51  27.461  13.074 -14.713
  405   HD12  LEU  51          HD12      LEU  51  26.390  12.641 -13.363
  406   HD13  LEU  51          HD13      LEU  51  25.809  13.733 -14.627
  407   HD21  LEU  51          HD21      LEU  51  28.699  14.957 -11.720
  408   HD22  LEU  51          HD22      LEU  51  28.050  13.315 -11.765
  409   HD23  LEU  51          HD23      LEU  51  29.195  13.845 -13.013
  410    H    SER  52           H        SER  52  26.785  18.853 -15.117
  411    HA   SER  52           HA       SER  52  29.205  19.758 -16.461
  412    HB2  SER  52           HB2      SER  52  26.433  21.022 -16.372
  413    HB3  SER  52           HB3      SER  52  27.750  21.465 -17.468
  414    HG   SER  52           HG       SER  52  26.346  18.984 -17.336
  415    H    LYS  53           H        LYS  53  27.236  21.057 -13.779
  416    HA   LYS  53           HA       LYS  53  28.651  23.553 -13.539
  417    HB2  LYS  53           HB2      LYS  53  26.302  23.060 -12.808
  418    HB3  LYS  53           HB3      LYS  53  26.948  22.077 -11.474
  419    HG2  LYS  53           HG2      LYS  53  28.120  24.082 -10.608
  420    HG3  LYS  53           HG3      LYS  53  27.481  25.039 -11.963
  421    HD2  LYS  53           HD2      LYS  53  25.149  24.433 -11.130
  422    HD3  LYS  53           HD3      LYS  53  25.899  23.736  -9.694
  423    HE2  LYS  53           HE2      LYS  53  26.099  26.642 -10.643
  424    HE3  LYS  53           HE3      LYS  53  25.068  26.059  -9.342
  425    HZ1  LYS  53           HZ1      LYS  53  27.118  25.411  -8.117
  426    HZ2  LYS  53           HZ2      LYS  53  28.049  26.047  -9.309
  427    HZ3  LYS  53           HZ3      LYS  53  27.083  27.011  -8.430
  428    H    GLN  54           H        GLN  54  29.068  20.419 -11.971
  429    HA   GLN  54           HA       GLN  54  30.553  19.547 -10.496
  430    HB2  GLN  54           HB2      GLN  54  32.526  21.585 -11.600
  431    HB3  GLN  54           HB3      GLN  54  32.912  20.109 -10.716
  432    HG2  GLN  54           HG2      GLN  54  31.866  18.753 -12.536
  433    HG3  GLN  54           HG3      GLN  54  31.571  20.235 -13.450
  434   HE21  GLN  54          HE22      GLN  54  34.178  18.119 -12.153
  435   HE22  GLN  54          HE21      GLN  54  35.397  18.744 -13.251
  436    H    THR  55           H        THR  55  32.559  20.569  -8.823
  437    HA   THR  55           HA       THR  55  31.391  22.796  -7.281
  438    HB   THR  55           HB       THR  55  30.306  20.792  -6.356
  439    HG1  THR  55           HG1      THR  55  30.794  21.337  -4.239
  440   HG21  THR  55          HG21      THR  55  31.538  19.172  -5.017
  441   HG22  THR  55          HG22      THR  55  32.111  19.104  -6.690
  442   HG23  THR  55          HG23      THR  55  33.085  19.925  -5.445
  443    H    SER  56           H        SER  56  32.827  23.808  -5.837
  444    HA   SER  56           HA       SER  56  35.627  23.047  -5.636
  445    HB2  SER  56           HB2      SER  56  35.450  24.093  -7.941
  446    HB3  SER  56           HB3      SER  56  34.964  25.602  -7.152
  447    HG   SER  56           HG       SER  56  37.259  25.452  -7.579
  448    H    GLY  57           H        GLY  57  36.849  24.633  -4.304
  449    HA2  GLY  57           HA2      GLY  57  37.121  26.051  -2.488
  450    HA3  GLY  57           HA3      GLY  57  35.604  26.821  -2.936
  451    H    GLY  58           H        GLY  58  34.648  27.037  -0.966
  452    HA2  GLY  58           HA2      GLY  58  33.247  26.379   0.759
  453    HA3  GLY  58           HA3      GLY  58  33.537  24.683   0.362
  454    H    SER  59           H        SER  59  36.432  26.482   0.880
  455    HA   SER  59           HA       SER  59  37.251  24.988   3.162
  456    HB2  SER  59           HB2      SER  59  38.385  27.601   2.085
  457    HB3  SER  59           HB3      SER  59  39.208  26.459   3.166
  458    HG   SER  59           HG       SER  59  39.802  26.156   0.950
  459    H    GLY  60           H        GLY  60  37.792  25.685   5.292
  460    HA2  GLY  60           HA2      GLY  60  37.559  26.848   7.288
  461    HA3  GLY  60           HA3      GLY  60  36.937  28.228   6.395
  462    H    GLY  61           H        GLY  61  35.324  28.636   7.940
  463    HA2  GLY  61           HA2      GLY  61  33.140  28.590   8.721
  464    HA3  GLY  61           HA3      GLY  61  32.803  27.257   7.625
  465    H    SER  62           H        SER  62  31.589  26.113   9.123
  466    HA   SER  62           HA       SER  62  33.082  24.610  11.198
  467    HB2  SER  62           HB2      SER  62  32.064  26.557  12.346
  468    HB3  SER  62           HB3      SER  62  30.465  26.056  11.763
  469    HG   SER  62           HG       SER  62  31.014  25.320  13.931
  470    H    LYS  63           H        LYS  63  32.009  22.711  11.910
  471    HA   LYS  63           HA       LYS  63  29.848  21.636  10.178
  472    HB2  LYS  63           HB2      LYS  63  31.058  19.463   9.951
  473    HB3  LYS  63           HB3      LYS  63  31.716  20.819   9.072
  474    HG2  LYS  63           HG2      LYS  63  33.494  19.472   9.931
  475    HG3  LYS  63           HG3      LYS  63  33.546  21.071  10.672
  476    HD2  LYS  63           HD2      LYS  63  32.678  20.191  12.780
  477    HD3  LYS  63           HD3      LYS  63  32.314  18.635  12.020
  478    HE2  LYS  63           HE2      LYS  63  34.292  18.365  13.342
  479    HE3  LYS  63           HE3      LYS  63  34.708  18.210  11.636
  480    HZ1  LYS  63           HZ1      LYS  63  36.317  19.583  12.851
  481    HZ2  LYS  63           HZ2      LYS  63  35.602  20.485  11.705
  482    HZ3  LYS  63           HZ3      LYS  63  35.175  20.659  13.281
  483    H    LEU  64           H        LEU  64  29.669  22.701  12.757
  484    HA   LEU  64           HA       LEU  64  28.961  20.339  14.456
  485    HB2  LEU  64           HB2      LEU  64  29.745  23.164  15.265
  486    HB3  LEU  64           HB3      LEU  64  29.407  21.833  16.367
  487    HG   LEU  64           HG       LEU  64  31.719  21.892  14.367
  488   HD11  LEU  64          HD11      LEU  64  31.979  23.560  16.171
  489   HD12  LEU  64          HD12      LEU  64  31.694  22.298  17.391
  490   HD13  LEU  64          HD13      LEU  64  33.138  22.233  16.353
  491   HD21  LEU  64          HD21      LEU  64  32.580  19.967  15.689
  492   HD22  LEU  64          HD22      LEU  64  31.078  19.955  16.639
  493   HD23  LEU  64          HD23      LEU  64  31.047  19.580  14.904
  494    H    GLY  65           H        GLY  65  27.225  20.686  16.032
  495    HA2  GLY  65           HA2      GLY  65  25.098  21.360  16.692
  496    HA3  GLY  65           HA3      GLY  65  25.158  22.686  15.538
  497    H    GLY  66           H        GLY  66  22.875  22.083  15.280
  498    HA2  GLY  66           HA2      GLY  66  22.315  20.588  12.896
  499    HA3  GLY  66           HA3      GLY  66  21.857  19.644  14.316
  500    H    SER  67           H        SER  67  19.711  19.847  13.240
  501    HA   SER  67           HA       SER  67  18.176  22.123  14.364
  502    HB2  SER  67           HB2      SER  67  18.690  22.837  12.085
  503    HB3  SER  67           HB3      SER  67  18.073  21.304  11.437
  504    HG   SER  67           HG       SER  67  16.560  23.142  11.414
  505    H    GLY  68           H        GLY  68  16.091  21.669  14.901
  506    HA2  GLY  68           HA2      GLY  68  15.179  18.874  15.034
  507    HA3  GLY  68           HA3      GLY  68  14.382  20.301  15.698
  508    H    GLY  69           H        GLY  69  14.999  21.208  12.591
  509    HA2  GLY  69           HA2      GLY  69  12.246  21.018  11.781
  510    HA3  GLY  69           HA3      GLY  69  13.580  21.729  10.877
  511    H    SER  70           H        SER  70  14.036  18.372  11.695
  512    HA   SER  70           HA       SER  70  14.065  17.621   8.900
  513    HB2  SER  70           HB2      SER  70  15.583  16.702  10.667
  514    HB3  SER  70           HB3      SER  70  14.202  15.782  11.310
  515    HG   SER  70           HG       SER  70  15.477  14.579   9.771
  516    H    ARG  71           H        ARG  71  12.813  16.063   7.839
  517    HA   ARG  71           HA       ARG  71   9.919  16.177   8.435
  518    HB2  ARG  71           HB2      ARG  71  11.523  14.978   6.137
  519    HB3  ARG  71           HB3      ARG  71   9.770  14.976   6.186
  520    HG2  ARG  71           HG2      ARG  71  11.191  17.636   6.415
  521    HG3  ARG  71           HG3      ARG  71  11.170  16.797   4.870
  522    HD2  ARG  71           HD2      ARG  71   9.349  18.358   4.891
  523    HD3  ARG  71           HD3      ARG  71   8.710  16.711   4.902
  524    HE   ARG  71           HE       ARG  71   8.975  18.051   7.543
  525   HH11  ARG  71          HH11      ARG  71   6.732  17.590   4.845
  526   HH12  ARG  71          HH12      ARG  71   5.354  17.722   5.905
  527   HH21  ARG  71          HH21      ARG  71   7.202  18.178   8.776
  528   HH22  ARG  71          HH22      ARG  71   5.598  18.089   8.077
  529    H    LYS  72           H        LYS  72   8.556  14.311   8.250
  530    HA   LYS  72           HA       LYS  72   9.456  11.936   9.743
  531    HB2  LYS  72           HB2      LYS  72   6.833  12.454   8.266
  532    HB3  LYS  72           HB3      LYS  72   7.136  11.158   9.411
  533    HG2  LYS  72           HG2      LYS  72   7.018  14.141  10.018
  534    HG3  LYS  72           HG3      LYS  72   5.811  12.936  10.427
  535    HD2  LYS  72           HD2      LYS  72   8.632  13.086  11.594
  536    HD3  LYS  72           HD3      LYS  72   7.146  13.641  12.366
  537    HE2  LYS  72           HE2      LYS  72   6.228  11.317  12.276
  538    HE3  LYS  72           HE3      LYS  72   7.762  10.749  11.601
  539    HZ1  LYS  72           HZ1      LYS  72   7.424  12.019  14.278
  540    HZ2  LYS  72           HZ2      LYS  72   7.697  10.435  14.009
  541    HZ3  LYS  72           HZ3      LYS  72   8.858  11.529  13.664
  542    H    ASP  73           H        ASP  73   9.235   9.756   8.864
  543    HA   ASP  73           HA       ASP  73  10.533   9.521   6.260
  544    HB2  ASP  73           HB2      ASP  73  11.224   8.245   8.266
  545    HB3  ASP  73           HB3      ASP  73   9.685   7.383   8.243
  546    H    LEU  74           H        LEU  74   8.630  10.580   5.280
  547    HA   LEU  74           HA       LEU  74   6.112   9.246   5.135
  548    HB2  LEU  74           HB2      LEU  74   5.412  11.191   3.816
  549    HB3  LEU  74           HB3      LEU  74   6.240  11.583   5.302
  550    HG   LEU  74           HG       LEU  74   8.370  11.946   3.819
  551   HD11  LEU  74          HD11      LEU  74   7.535  11.057   1.669
  552   HD12  LEU  74          HD12      LEU  74   6.183  12.208   1.705
  553   HD13  LEU  74          HD13      LEU  74   7.851  12.787   1.537
  554   HD21  LEU  74          HD21      LEU  74   5.977  13.824   3.640
  555   HD22  LEU  74          HD22      LEU  74   7.139  13.732   4.986
  556   HD23  LEU  74          HD23      LEU  74   7.681  14.268   3.392
  557    H    SER  75           H        SER  75   4.837   8.695   3.387
  558    HA   SER  75           HA       SER  75   6.178   7.139   1.273
  559    HB2  SER  75           HB2      SER  75   3.243   7.477   2.020
  560    HB3  SER  75           HB3      SER  75   3.838   6.452   0.703
  561    HG   SER  75           HG       SER  75   4.452   6.180   3.483
  562    H    VAL  76           H        VAL  76   5.597   7.342  -0.984
  563    HA   VAL  76           HA       VAL  76   5.506  10.216  -1.759
  564    HB   VAL  76           HB       VAL  76   6.610   9.539  -3.820
  565   HG11  VAL  76          HG11      VAL  76   8.766   9.027  -2.855
  566   HG12  VAL  76          HG12      VAL  76   7.894  10.169  -1.813
  567   HG13  VAL  76          HG13      VAL  76   8.011   8.461  -1.345
  568   HG21  VAL  76          HG21      VAL  76   7.484   7.285  -4.149
  569   HG22  VAL  76          HG22      VAL  76   6.764   6.729  -2.636
  570   HG23  VAL  76          HG23      VAL  76   5.720   7.191  -4.003
  571    H    LYS  77           H        LYS  77   3.219   7.935  -1.629
  572    HA   LYS  77           HA       LYS  77   1.181   7.558  -2.445
  573    HB2  LYS  77           HB2      LYS  77   1.371  10.334  -3.660
  574    HB3  LYS  77           HB3      LYS  77  -0.099   9.379  -3.484
  575    HG2  LYS  77           HG2      LYS  77   0.227   9.337  -1.011
  576    HG3  LYS  77           HG3      LYS  77   1.653  10.377  -1.195
  577    HD2  LYS  77           HD2      LYS  77   0.243  12.137  -2.227
  578    HD3  LYS  77           HD3      LYS  77  -1.188  11.095  -2.055
  579    HE2  LYS  77           HE2      LYS  77  -0.845  11.061   0.418
  580    HE3  LYS  77           HE3      LYS  77   0.564  12.112   0.236
  581    HZ1  LYS  77           HZ1      LYS  77  -0.922  13.831  -0.682
  582    HZ2  LYS  77           HZ2      LYS  77  -2.224  12.855  -0.512
  583    HZ3  LYS  77           HZ3      LYS  77  -1.428  13.392   0.805
  584    H    GLY  78           H        GLY  78  -0.142   6.864  -4.064
  585    HA2  GLY  78           HA2      GLY  78  -0.670   5.763  -6.014
  586    HA3  GLY  78           HA3      GLY  78   0.521   6.745  -6.861
  587    H    MET  79           H        MET  79   0.561   4.523  -7.986
  588    HA   MET  79           HA       MET  79   2.230   2.430  -6.845
  589    HB2  MET  79           HB2      MET  79   0.682   2.104  -8.770
  590    HB3  MET  79           HB3      MET  79   1.710   3.149  -9.762
  591    HG2  MET  79           HG2      MET  79   3.601   1.582  -9.456
  592    HG3  MET  79           HG3      MET  79   2.595   0.539  -8.448
  593    HE1  MET  79           HE1      MET  79   0.723  -1.049  -9.320
  594    HE2  MET  79           HE2      MET  79  -0.215   0.319  -9.970
  595    HE3  MET  79           HE3      MET  79   0.129  -1.087 -10.992
  596    H    LEU  80           H        LEU  80   4.507   2.210  -6.970
  597    HA   LEU  80           HA       LEU  80   5.976   4.632  -7.843
  598    HB2  LEU  80           HB2      LEU  80   7.174   4.780  -5.813
  599    HB3  LEU  80           HB3      LEU  80   5.458   4.824  -5.463
  600    HG   LEU  80           HG       LEU  80   7.273   2.407  -5.046
  601   HD11  LEU  80          HD11      LEU  80   7.822   4.324  -3.579
  602   HD12  LEU  80          HD12      LEU  80   6.116   4.408  -3.061
  603   HD13  LEU  80          HD13      LEU  80   7.105   2.990  -2.662
  604   HD21  LEU  80          HD21      LEU  80   5.340   1.694  -3.516
  605   HD22  LEU  80          HD22      LEU  80   4.356   2.931  -4.311
  606   HD23  LEU  80          HD23      LEU  80   5.033   1.561  -5.240
  607    H    TYR  81           H        TYR  81   8.171   4.575  -8.156
  608    HA   TYR  81           HA       TYR  81   9.462   1.960  -8.591
  609    HB2  TYR  81           HB2      TYR  81   8.168   2.382 -10.648
  610    HB3  TYR  81           HB3      TYR  81   8.926   3.959 -10.825
  611    HD1  TYR  81           HD1      TYR  81   9.841   0.315 -10.440
  612    HD2  TYR  81           HD2      TYR  81  10.786   4.113 -12.268
  613    HE1  TYR  81           HE1      TYR  81  11.750  -0.735 -11.652
  614    HE2  TYR  81           HE2      TYR  81  12.691   3.053 -13.479
  615    HH   TYR  81           HH       TYR  81  13.885   1.118 -13.855
  616    H    ASP  82           H        ASP  82  11.751   2.136  -9.133
  617    HA   ASP  82           HA       ASP  82  13.128   3.744  -7.276
  618    HB2  ASP  82           HB2      ASP  82  13.820   1.542  -8.187
  619    HB3  ASP  82           HB3      ASP  82  14.153   2.294  -9.747
  620    H    SER  83           H        SER  83  12.732   4.258 -10.786
  621    HA   SER  83           HA       SER  83  14.395   6.714 -10.698
  622    HB2  SER  83           HB2      SER  83  13.276   5.328 -13.142
  623    HB3  SER  83           HB3      SER  83  14.599   6.501 -13.069
  624    HG   SER  83           HG       SER  83  15.822   4.919 -11.900
  625    H    ASP  84           H        ASP  84  11.329   6.498  -9.907
  626    HA   ASP  84           HA       ASP  84   9.860   7.802 -11.974
  627    HB2  ASP  84           HB2      ASP  84   8.911   6.356 -10.219
  628    HB3  ASP  84           HB3      ASP  84   9.268   7.592  -9.014
  629    H    SER  85           H        SER  85   9.879   9.870 -12.653
  630    HA   SER  85           HA       SER  85  11.534  11.859 -11.567
  631    HB2  SER  85           HB2      SER  85  10.267  13.385 -13.162
  632    HB3  SER  85           HB3      SER  85  10.954  11.917 -13.883
  633    HG   SER  85           HG       SER  85   8.766  12.284 -14.545
  634    H    GLN  86           H        GLN  86   7.928  11.760 -11.365
  635    HA   GLN  86           HA       GLN  86   7.841  14.157  -9.777
  636    HB2  GLN  86           HB2      GLN  86   5.455  13.711  -9.535
  637    HB3  GLN  86           HB3      GLN  86   6.010  13.645 -11.205
  638    HG2  GLN  86           HG2      GLN  86   5.964  11.179 -11.158
  639    HG3  GLN  86           HG3      GLN  86   5.442  11.211  -9.466
  640   HE21  GLN  86          HE22      GLN  86   3.866   9.772 -11.087
  641   HE22  GLN  86          HE21      GLN  86   2.391  10.657 -11.460
  642    H    GLN  87           H        GLN  87   7.867  10.685  -8.805
  643    HA   GLN  87           HA       GLN  87   7.379  11.329  -6.007
  644    HB2  GLN  87           HB2      GLN  87   8.451   8.885  -7.426
  645    HB3  GLN  87           HB3      GLN  87   8.165   8.943  -5.687
  646    HG2  GLN  87           HG2      GLN  87   5.794   9.305  -5.965
  647    HG3  GLN  87           HG3      GLN  87   5.954   9.615  -7.683
  648   HE21  GLN  87          HE22      GLN  87   4.134   7.670  -6.592
  649   HE22  GLN  87          HE21      GLN  87   4.637   6.197  -7.402
  650    H    ILE  88           H        ILE  88  10.399  10.795  -7.904
  651    HA   ILE  88           HA       ILE  88  12.207  11.186  -5.683
  652    HB   ILE  88           HB       ILE  88  12.488  11.692  -8.667
  653   HG12  ILE  88          HG12      ILE  88  12.236   9.284  -7.820
  654   HG13  ILE  88          HG13      ILE  88  13.621   9.640  -8.835
  655   HG21  ILE  88          HG21      ILE  88  14.962  11.772  -8.269
  656   HG22  ILE  88          HG22      ILE  88  14.095  13.168  -7.622
  657   HG23  ILE  88          HG23      ILE  88  14.640  11.898  -6.522
  658   HD11  ILE  88          HD11      ILE  88  14.032   8.115  -6.892
  659   HD12  ILE  88          HD12      ILE  88  15.125   9.509  -6.956
  660   HD13  ILE  88          HD13      ILE  88  13.771   9.487  -5.800
  661    H    LEU  89           H        LEU  89  10.734  13.555  -8.022
  662    HA   LEU  89           HA       LEU  89  11.830  15.852  -6.764
  663    HB2  LEU  89           HB2      LEU  89  10.762  15.914  -8.992
  664    HB3  LEU  89           HB3      LEU  89   9.220  15.437  -8.299
  665    HG   LEU  89           HG       LEU  89   9.036  17.581  -7.090
  666   HD11  LEU  89          HD11      LEU  89  11.592  18.354  -8.553
  667   HD12  LEU  89          HD12      LEU  89  10.574  19.444  -7.600
  668   HD13  LEU  89          HD13      LEU  89  11.444  18.138  -6.788
  669   HD21  LEU  89          HD21      LEU  89   8.656  18.999  -9.039
  670   HD22  LEU  89          HD22      LEU  89   9.649  17.930 -10.049
  671   HD23  LEU  89          HD23      LEU  89   8.112  17.347  -9.366
  672    H    ASN  90           H        ASN  90   8.578  14.360  -6.097
  673    HA   ASN  90           HA       ASN  90   7.890  16.244  -4.117
  674    HB2  ASN  90           HB2      ASN  90   7.047  13.339  -4.545
  675    HB3  ASN  90           HB3      ASN  90   6.321  14.382  -3.322
  676   HD21  ASN  90          HD22      ASN  90   4.576  13.374  -5.085
  677   HD22  ASN  90          HD21      ASN  90   4.085  14.621  -6.214
  678    H    ARG  91           H        ARG  91   9.557  13.038  -3.584
  679    HA   ARG  91           HA       ARG  91   9.766  13.586  -0.743
  680    HB2  ARG  91           HB2      ARG  91   9.952  11.295  -2.110
  681    HB3  ARG  91           HB3      ARG  91  11.681  11.653  -2.055
  682    HG2  ARG  91           HG2      ARG  91  11.436  11.939   0.484
  683    HG3  ARG  91           HG3      ARG  91   9.747  11.460   0.305
  684    HD2  ARG  91           HD2      ARG  91  10.741   9.314  -0.853
  685    HD3  ARG  91           HD3      ARG  91  12.235   9.780  -0.043
  686    HE   ARG  91           HE       ARG  91   9.660   8.901   1.193
  687   HH11  ARG  91          HH11      ARG  91  12.961   9.999   2.041
  688   HH12  ARG  91          HH12      ARG  91  12.761   9.306   3.629
  689   HH21  ARG  91          HH21      ARG  91   9.688   7.951   3.081
  690   HH22  ARG  91          HH22      ARG  91  11.081   8.028   4.132
  691    H    LEU  92           H        LEU  92  11.919  14.396  -3.474
  692    HA   LEU  92           HA       LEU  92  14.100  15.280  -1.775
  693    HB2  LEU  92           HB2      LEU  92  14.369  14.698  -4.155
  694    HB3  LEU  92           HB3      LEU  92  13.289  16.013  -4.617
  695    HG   LEU  92           HG       LEU  92  14.960  17.656  -3.705
  696   HD11  LEU  92          HD11      LEU  92  16.175  16.214  -2.105
  697   HD12  LEU  92          HD12      LEU  92  16.746  15.200  -3.461
  698   HD13  LEU  92          HD13      LEU  92  17.272  16.893  -3.315
  699   HD21  LEU  92          HD21      LEU  92  15.910  15.692  -5.827
  700   HD22  LEU  92          HD22      LEU  92  14.865  17.110  -6.076
  701   HD23  LEU  92          HD23      LEU  92  16.563  17.321  -5.582
  702    H    ARG  93           H        ARG  93  11.199  16.914  -3.135
  703    HA   ARG  93           HA       ARG  93  11.997  19.559  -2.266
  704    HB2  ARG  93           HB2      ARG  93  10.455  18.967  -4.167
  705    HB3  ARG  93           HB3      ARG  93   9.205  18.540  -2.989
  706    HG2  ARG  93           HG2      ARG  93   9.193  20.895  -2.171
  707    HG3  ARG  93           HG3      ARG  93  10.557  21.273  -3.230
  708    HD2  ARG  93           HD2      ARG  93   8.966  20.383  -5.145
  709    HD3  ARG  93           HD3      ARG  93   7.676  20.709  -3.992
  710    HE   ARG  93           HE       ARG  93   9.378  22.629  -5.459
  711   HH11  ARG  93          HH11      ARG  93   7.119  22.497  -2.749
  712   HH12  ARG  93          HH12      ARG  93   6.851  24.215  -2.838
  713   HH21  ARG  93          HH21      ARG  93   9.051  24.608  -5.502
  714   HH22  ARG  93          HH22      ARG  93   7.946  25.443  -4.402
  715    H    GLU  94           H        GLU  94   9.840  17.082  -0.813
  716    HA   GLU  94           HA       GLU  94   9.293  18.551   1.602
  717    HB2  GLU  94           HB2      GLU  94   9.488  15.575   0.957
  718    HB3  GLU  94           HB3      GLU  94   9.022  16.162   2.546
  719    HG2  GLU  94           HG2      GLU  94   7.589  16.838  -0.059
  720    HG3  GLU  94           HG3      GLU  94   7.084  15.592   1.083
  721    H    ARG  95           H        ARG  95  11.858  16.098   0.950
  722    HA   ARG  95           HA       ARG  95  13.125  16.214   3.475
  723    HB2  ARG  95           HB2      ARG  95  13.340  14.429   1.837
  724    HB3  ARG  95           HB3      ARG  95  14.144  15.516   0.693
  725    HG2  ARG  95           HG2      ARG  95  16.114  15.630   2.066
  726    HG3  ARG  95           HG3      ARG  95  15.335  14.713   3.376
  727    HD2  ARG  95           HD2      ARG  95  15.309  12.697   2.132
  728    HD3  ARG  95           HD3      ARG  95  15.497  13.533   0.578
  729    HE   ARG  95           HE       ARG  95  17.827  14.201   1.803
  730   HH11  ARG  95          HH11      ARG  95  16.477  10.909   1.368
  731   HH12  ARG  95          HH12      ARG  95  18.128  10.302   1.261
  732   HH21  ARG  95          HH21      ARG  95  19.625  13.320   1.649
  733   HH22  ARG  95          HH22      ARG  95  19.858  11.567   1.416
  734    H    VAL  96           H        VAL  96  13.679  18.297   0.643
  735    HA   VAL  96           HA       VAL  96  15.856  19.750   1.985
  736    HB   VAL  96           HB       VAL  96  14.464  20.095  -0.685
  737   HG11  VAL  96          HG11      VAL  96  15.185  22.343  -0.034
  738   HG12  VAL  96          HG12      VAL  96  16.774  21.713   0.475
  739   HG13  VAL  96          HG13      VAL  96  16.297  21.703  -1.236
  740   HG21  VAL  96          HG21      VAL  96  16.697  19.359  -1.510
  741   HG22  VAL  96          HG22      VAL  96  17.281  19.274   0.163
  742   HG23  VAL  96          HG23      VAL  96  16.029  18.150  -0.412
  743    H    SER  97           H        SER  97  12.362  20.402   1.351
  744    HA   SER  97           HA       SER  97  12.539  23.140   2.217
  745    HB2  SER  97           HB2      SER  97  10.103  21.327   2.099
  746    HB3  SER  97           HB3      SER  97  10.078  23.084   2.350
  747    HG   SER  97           HG       SER  97  10.873  21.609   0.078
  748    H    GLY  98           H        GLY  98  11.879  20.106   3.967
  749    HA2  GLY  98           HA2      GLY  98  12.125  19.658   6.232
  750    HA3  GLY  98           HA3      GLY  98  12.513  21.338   6.538
  751    H    SER  99           H        SER  99  11.135  20.274   8.409
  752    HA   SER  99           HA       SER  99   8.218  20.644   8.167
  753    HB2  SER  99           HB2      SER  99  10.030  19.992  10.521
  754    HB3  SER  99           HB3      SER  99   8.259  20.050  10.589
  755    HG   SER  99           HG       SER  99   9.364  17.932  10.161
  756    H    THR 100           H        THR 100   7.027  22.124   9.532
  757    HA   THR 100           HA       THR 100   8.463  24.338  10.834
  758    HB   THR 100           HB       THR 100   8.225  25.198   8.577
  759    HG1  THR 100           HG1      THR 100   7.304  27.098   9.187
  760   HG21  THR 100          HG21      THR 100   6.217  23.968   7.798
  761   HG22  THR 100          HG22      THR 100   5.207  24.888   8.935
  762   HG23  THR 100          HG23      THR 100   6.030  25.718   7.603
  763    H    ALA 101           H        ALA 101   7.207  25.550  12.290
  764    HA   ALA 101           HA       ALA 101   4.826  24.113  13.360
  765    HB1  ALA 101           HB1      ALA 101   6.813  24.292  14.810
  766    HB2  ALA 101           HB2      ALA 101   6.743  26.063  14.697
  767    HB3  ALA 101           HB3      ALA 101   5.425  25.167  15.486
  768    H    GLN 102           H        GLN 102   5.256  26.614  11.282
  769    HA   GLN 102           HA       GLN 102   2.847  28.105  12.220
  770    HB2  GLN 102           HB2      GLN 102   3.939  30.235  11.781
  771    HB3  GLN 102           HB3      GLN 102   4.789  29.355  13.041
  772    HG2  GLN 102           HG2      GLN 102   6.634  28.843  11.606
  773    HG3  GLN 102           HG3      GLN 102   5.728  29.230  10.144
  774   HE21  GLN 102          HE22      GLN 102   5.252  31.494   9.639
  775   HE22  GLN 102          HE21      GLN 102   6.262  32.752  10.354
  776    H    SER 103           H        SER 103   1.988  29.621  10.577
  777    HA   SER 103           HA       SER 103   1.807  28.517   7.896
  778    HB2  SER 103           HB2      SER 103   0.919  31.215   8.987
  779    HB3  SER 103           HB3      SER 103   0.461  30.523   7.420
  780    HG   SER 103           HG       SER 103  -1.141  30.140   9.045
  781    H    ALA 104           H        ALA 104   2.453  29.557   5.941
  782    HA   ALA 104           HA       ALA 104   4.551  31.638   6.023
  783    HB1  ALA 104           HB1      ALA 104   5.768  29.485   6.180
  784    HB2  ALA 104           HB2      ALA 104   4.934  28.902   4.721
  785    HB3  ALA 104           HB3      ALA 104   6.049  30.276   4.617