NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
4260 | 1f0z | 4470 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT1 MET 1 -14.755 2.852 -2.307 2 2H MET 1 HT2 MET 1 -15.339 1.894 -1.032 3 3H MET 1 HT3 MET 1 -14.157 1.281 -2.088 4 HA MET 1 HA MET 1 -13.844 3.215 0.094 5 1HB MET 1 HB2 MET 1 -12.499 1.592 0.884 6 2HB MET 1 HB1 MET 1 -13.385 0.575 -0.247 7 1HG MET 1 HG2 MET 1 -11.214 0.095 -0.851 8 2HG MET 1 HG1 MET 1 -11.563 1.441 -1.938 9 1HE MET 1 HE1 MET 1 -8.769 1.317 1.654 10 2HE MET 1 HE2 MET 1 -9.330 -0.010 0.641 11 3HE MET 1 HE3 MET 1 -10.439 0.748 1.779 12 H GLN 2 HN GLN 2 -11.668 4.257 0.152 13 HA GLN 2 HA GLN 2 -10.500 4.771 -2.513 14 1HB GLN 2 HB2 GLN 2 -11.998 6.531 -2.430 15 2HB GLN 2 HB1 GLN 2 -11.883 6.666 -0.681 16 1HG GLN 2 HG2 GLN 2 -9.939 7.928 -0.765 17 2HG GLN 2 HG1 GLN 2 -9.451 7.268 -2.324 18 1HE2 GLN 2 HE21 GLN 2 -11.251 7.854 -4.150 19 2HE2 GLN 2 HE22 GLN 2 -11.748 9.479 -4.135 20 H ILE 3 HN ILE 3 -8.434 5.737 -2.430 21 HA ILE 3 HA ILE 3 -7.080 5.649 0.198 22 HB ILE 3 HB ILE 3 -5.712 3.943 -0.527 23 1HG1 ILE 3 HG12 ILE 3 -6.075 5.214 -3.168 24 2HG1 ILE 3 HG11 ILE 3 -4.628 4.523 -2.455 25 1HG2 ILE 3 HG21 ILE 3 -8.143 3.466 -2.268 26 2HG2 ILE 3 HG22 ILE 3 -8.133 3.289 -0.517 27 3HG2 ILE 3 HG23 ILE 3 -7.132 2.234 -1.502 28 1HD1 ILE 3 HD11 ILE 3 -6.913 2.993 -3.732 29 2HD1 ILE 3 HD12 ILE 3 -5.557 2.240 -2.898 30 3HD1 ILE 3 HD13 ILE 3 -5.279 3.166 -4.373 31 H LEU 4 HN LEU 4 -4.716 6.267 -0.182 32 HA LEU 4 HA LEU 4 -4.484 8.296 -2.339 33 1HB LEU 4 HB2 LEU 4 -4.781 9.328 -0.101 34 2HB LEU 4 HB1 LEU 4 -3.410 8.387 0.498 35 HG LEU 4 HG LEU 4 -2.909 10.815 -0.305 36 1HD1 LEU 4 HD11 LEU 4 -1.211 8.962 -1.853 37 2HD1 LEU 4 HD12 LEU 4 -1.400 8.561 -0.145 38 3HD1 LEU 4 HD13 LEU 4 -0.764 10.136 -0.613 39 1HD2 LEU 4 HD21 LEU 4 -4.321 10.242 -2.452 40 2HD2 LEU 4 HD22 LEU 4 -2.810 9.528 -2.998 41 3HD2 LEU 4 HD23 LEU 4 -2.878 11.243 -2.586 42 H PHE 5 HN PHE 5 -3.105 7.187 -3.716 43 HA PHE 5 HA PHE 5 -0.932 5.590 -2.487 44 1HB PHE 5 HB2 PHE 5 -2.455 4.544 -4.116 45 2HB PHE 5 HB1 PHE 5 -2.045 5.767 -5.313 46 HD1 PHE 5 HD1 PHE 5 -0.294 5.332 -6.815 47 HD2 PHE 5 HD2 PHE 5 -0.427 3.265 -3.055 48 HE1 PHE 5 HE1 PHE 5 1.664 3.973 -7.496 49 HE2 PHE 5 HE2 PHE 5 1.530 1.904 -3.732 50 HZ PHE 5 HZ PHE 5 2.575 2.255 -5.951 51 H ASN 6 HN ASN 6 0.789 7.017 -2.095 52 HA ASN 6 HA ASN 6 2.480 8.555 -2.552 53 1HB ASN 6 HB2 ASN 6 2.758 6.781 -4.385 54 2HB ASN 6 HB1 ASN 6 1.900 7.898 -5.447 55 1HD2 ASN 6 HD21 ASN 6 3.291 9.185 -6.637 56 2HD2 ASN 6 HD22 ASN 6 4.823 9.712 -6.128 57 H ASP 7 HN ASP 7 0.414 9.762 -1.904 58 HA ASP 7 HA ASP 7 -0.813 11.756 -2.003 59 1HB ASP 7 HB2 ASP 7 0.865 12.768 -4.217 60 2HB ASP 7 HB1 ASP 7 0.458 13.518 -2.679 61 H GLN 8 HN GLN 8 -1.220 9.442 -4.027 62 HA GLN 8 HA GLN 8 -2.775 11.004 -6.087 63 1HB GLN 8 HB2 GLN 8 -1.849 8.106 -6.131 64 2HB GLN 8 HB1 GLN 8 -2.540 9.006 -7.474 65 1HG GLN 8 HG2 GLN 8 -0.528 10.657 -6.972 66 2HG GLN 8 HG1 GLN 8 0.192 9.202 -6.276 67 1HE2 GLN 8 HE21 GLN 8 -0.147 7.159 -7.834 68 2HE2 GLN 8 HE22 GLN 8 0.175 7.450 -9.474 69 H ALA 9 HN ALA 9 -4.981 11.018 -5.544 70 HA ALA 9 HA ALA 9 -6.046 9.197 -3.554 71 1HB ALA 9 HB1 ALA 9 -6.849 11.504 -3.978 72 2HB ALA 9 HB2 ALA 9 -8.160 10.326 -4.072 73 3HB ALA 9 HB3 ALA 9 -7.460 10.988 -5.551 74 H MET 10 HN MET 10 -7.548 7.489 -3.853 75 HA MET 10 HA MET 10 -7.953 6.429 -6.644 76 1HB MET 10 HB2 MET 10 -5.866 5.679 -5.121 77 2HB MET 10 HB1 MET 10 -7.110 4.627 -4.470 78 1HG MET 10 HG2 MET 10 -6.468 3.258 -6.131 79 2HG MET 10 HG1 MET 10 -7.559 4.260 -7.084 80 1HE MET 10 HE1 MET 10 -3.014 4.663 -6.708 81 2HE MET 10 HE2 MET 10 -3.813 3.093 -6.649 82 3HE MET 10 HE3 MET 10 -4.197 4.314 -5.439 83 H GLN 11 HN GLN 11 -9.307 4.401 -6.558 84 HA GLN 11 HA GLN 11 -10.947 4.106 -4.113 85 1HB GLN 11 HB2 GLN 11 -12.327 3.740 -6.695 86 2HB GLN 11 HB1 GLN 11 -12.971 4.317 -5.172 87 1HG GLN 11 HG2 GLN 11 -11.185 6.307 -5.859 88 2HG GLN 11 HG1 GLN 11 -11.885 5.856 -7.414 89 1HE2 GLN 11 HE21 GLN 11 -14.504 5.026 -6.201 90 2HE2 GLN 11 HE22 GLN 11 -15.278 6.466 -5.745 91 H CYS 12 HN CYS 12 -10.633 2.144 -3.537 92 HA CYS 12 HA CYS 12 -10.420 -0.083 -5.541 93 1HB CYS 12 HB2 CYS 12 -8.536 -0.939 -4.283 94 2HB CYS 12 HB1 CYS 12 -8.226 0.759 -4.651 95 HG CYS 12 HG CYS 12 -9.128 -0.285 -1.851 96 H ALA 13 HN ALA 13 -9.982 -2.099 -3.668 97 HA ALA 13 HA ALA 13 -12.679 -2.521 -2.656 98 1HB ALA 13 HB1 ALA 13 -10.524 -4.031 -3.672 99 2HB ALA 13 HB2 ALA 13 -12.097 -4.641 -3.158 100 3HB ALA 13 HB3 ALA 13 -10.762 -4.571 -2.013 101 H ALA 14 HN ALA 14 -12.983 -1.368 -0.702 102 HA ALA 14 HA ALA 14 -11.082 -0.977 1.367 103 1HB ALA 14 HB1 ALA 14 -13.926 -0.738 0.926 104 2HB ALA 14 HB2 ALA 14 -12.905 0.157 2.056 105 3HB ALA 14 HB3 ALA 14 -13.621 -1.381 2.539 106 H GLY 15 HN GLY 15 -10.386 -2.285 3.000 107 1HA GLY 15 HA2 GLY 15 -10.463 -4.096 4.555 108 2HA GLY 15 HA1 GLY 15 -11.705 -4.840 3.555 109 H GLN 16 HN GLN 16 -9.762 -3.974 1.247 110 HA GLN 16 HA GLN 16 -8.462 -6.582 0.996 111 1HB GLN 16 HB2 GLN 16 -8.253 -5.891 -1.208 112 2HB GLN 16 HB1 GLN 16 -9.608 -4.907 -0.673 113 1HG GLN 16 HG2 GLN 16 -8.040 -3.049 -0.177 114 2HG GLN 16 HG1 GLN 16 -6.715 -4.030 -0.811 115 1HE2 GLN 16 HE21 GLN 16 -7.500 -5.066 -3.132 116 2HE2 GLN 16 HE22 GLN 16 -8.112 -3.900 -4.202 117 H THR 17 HN THR 17 -6.362 -6.957 1.878 118 HA THR 17 HA THR 17 -4.804 -5.066 3.234 119 HB THR 17 HB THR 17 -3.071 -6.620 3.154 120 HG1 THR 17 HG1 THR 17 -3.188 -8.185 1.244 121 1HG2 THR 17 HG21 THR 17 -5.196 -8.507 2.236 122 2HG2 THR 17 HG22 THR 17 -5.391 -7.642 3.760 123 3HG2 THR 17 HG23 THR 17 -4.006 -8.708 3.520 124 H VAL 18 HN VAL 18 -2.386 -4.939 2.313 125 HA VAL 18 HA VAL 18 -2.306 -2.880 0.254 126 HB VAL 18 HB VAL 18 -0.282 -4.635 1.558 127 1HG1 VAL 18 HG11 VAL 18 0.827 -2.155 1.155 128 2HG1 VAL 18 HG12 VAL 18 -0.107 -2.463 -0.311 129 3HG1 VAL 18 HG13 VAL 18 1.127 -3.611 0.207 130 1HG2 VAL 18 HG21 VAL 18 -0.268 -3.220 3.399 131 2HG2 VAL 18 HG22 VAL 18 -1.976 -3.244 2.973 132 3HG2 VAL 18 HG23 VAL 18 -0.965 -1.891 2.481 133 H HIS 19 HN HIS 19 -0.924 -6.149 0.656 134 HA HIS 19 HA HIS 19 0.021 -6.591 -1.972 135 1HB HIS 19 HB2 HIS 19 0.186 -8.058 0.125 136 2HB HIS 19 HB1 HIS 19 -1.493 -8.506 -0.158 137 HD1 HIS 19 HD1 HIS 19 0.048 -10.933 -0.383 138 HD2 HIS 19 HD2 HIS 19 -0.011 -8.261 -3.584 139 HE1 HIS 19 HE1 HIS 19 0.743 -12.253 -2.430 140 H GLU 20 HN GLU 20 -3.088 -6.386 -0.470 141 HA GLU 20 HA GLU 20 -4.574 -7.400 -2.841 142 1HB GLU 20 HB2 GLU 20 -5.244 -6.313 -0.115 143 2HB GLU 20 HB1 GLU 20 -6.508 -6.535 -1.320 144 1HG GLU 20 HG2 GLU 20 -4.594 -8.719 -0.446 145 2HG GLU 20 HG1 GLU 20 -6.215 -8.511 0.215 146 H LEU 21 HN LEU 21 -3.807 -4.346 -1.215 147 HA LEU 21 HA LEU 21 -5.389 -2.625 -2.922 148 1HB LEU 21 HB2 LEU 21 -4.206 -2.339 -0.585 149 2HB LEU 21 HB1 LEU 21 -2.805 -1.895 -1.541 150 HG LEU 21 HG LEU 21 -4.352 -0.005 -0.711 151 1HD1 LEU 21 HD11 LEU 21 -4.173 0.302 -3.617 152 2HD1 LEU 21 HD12 LEU 21 -2.676 -0.236 -2.857 153 3HD1 LEU 21 HD13 LEU 21 -3.442 1.267 -2.338 154 1HD2 LEU 21 HD21 LEU 21 -6.437 -1.256 -1.519 155 2HD2 LEU 21 HD22 LEU 21 -5.959 -0.776 -3.150 156 3HD2 LEU 21 HD23 LEU 21 -6.317 0.452 -1.936 157 H LEU 22 HN LEU 22 -1.870 -3.138 -2.763 158 HA LEU 22 HA LEU 22 -1.075 -1.810 -5.091 159 1HB LEU 22 HB2 LEU 22 -0.137 -4.236 -3.551 160 2HB LEU 22 HB1 LEU 22 0.762 -3.667 -4.960 161 HG LEU 22 HG LEU 22 0.018 -1.944 -2.590 162 1HD1 LEU 22 HD11 LEU 22 1.818 -2.803 -1.559 163 2HD1 LEU 22 HD12 LEU 22 2.827 -2.291 -2.915 164 3HD1 LEU 22 HD13 LEU 22 2.089 -3.895 -2.918 165 1HD2 LEU 22 HD21 LEU 22 1.727 -0.445 -3.695 166 2HD2 LEU 22 HD22 LEU 22 0.233 -0.651 -4.602 167 3HD2 LEU 22 HD23 LEU 22 1.684 -1.533 -5.080 168 H GLU 23 HN GLU 23 -1.732 -5.282 -4.740 169 HA GLU 23 HA GLU 23 -1.558 -5.954 -7.498 170 1HB GLU 23 HB2 GLU 23 -1.659 -7.571 -5.635 171 2HB GLU 23 HB1 GLU 23 -3.347 -7.130 -5.348 172 1HG GLU 23 HG2 GLU 23 -4.097 -8.279 -7.173 173 2HG GLU 23 HG1 GLU 23 -2.690 -7.848 -8.139 174 H GLN 24 HN GLN 24 -4.368 -4.806 -5.593 175 HA GLN 24 HA GLN 24 -6.309 -5.095 -7.685 176 1HB GLN 24 HB2 GLN 24 -6.738 -4.649 -5.252 177 2HB GLN 24 HB1 GLN 24 -6.123 -3.011 -5.479 178 1HG GLN 24 HG2 GLN 24 -8.368 -2.603 -5.827 179 2HG GLN 24 HG1 GLN 24 -7.906 -3.032 -7.475 180 1HE2 GLN 24 HE21 GLN 24 -10.501 -3.518 -7.069 181 2HE2 GLN 24 HE22 GLN 24 -10.824 -5.152 -6.746 182 H LEU 25 HN LEU 25 -4.267 -2.375 -6.678 183 HA LEU 25 HA LEU 25 -5.055 -0.515 -8.693 184 1HB LEU 25 HB2 LEU 25 -2.499 -0.966 -7.116 185 2HB LEU 25 HB1 LEU 25 -2.867 0.510 -8.004 186 HG LEU 25 HG LEU 25 -4.372 -0.632 -5.651 187 1HD1 LEU 25 HD11 LEU 25 -3.833 1.791 -4.865 188 2HD1 LEU 25 HD12 LEU 25 -2.618 1.755 -6.146 189 3HD1 LEU 25 HD13 LEU 25 -2.549 0.583 -4.832 190 1HD2 LEU 25 HD21 LEU 25 -6.149 0.217 -6.833 191 2HD2 LEU 25 HD22 LEU 25 -5.141 1.344 -7.741 192 3HD2 LEU 25 HD23 LEU 25 -5.584 1.702 -6.071 193 H ASP 26 HN ASP 26 -3.060 -3.331 -8.665 194 HA ASP 26 HA ASP 26 -2.302 -4.548 -10.602 195 1HB ASP 26 HB2 ASP 26 -3.569 -2.980 -12.066 196 2HB ASP 26 HB1 ASP 26 -2.263 -1.809 -11.896 197 H GLN 27 HN GLN 27 -0.981 -3.312 -8.328 198 HA GLN 27 HA GLN 27 1.731 -2.832 -9.521 199 1HB GLN 27 HB2 GLN 27 0.831 -1.869 -6.808 200 2HB GLN 27 HB1 GLN 27 2.084 -1.206 -7.853 201 1HG GLN 27 HG2 GLN 27 -0.563 -1.154 -9.121 202 2HG GLN 27 HG1 GLN 27 -0.512 -0.240 -7.622 203 1HE2 GLN 27 HE21 GLN 27 1.667 -0.724 -10.480 204 2HE2 GLN 27 HE22 GLN 27 2.064 0.922 -10.627 205 H ARG 28 HN ARG 28 3.445 -3.989 -8.512 206 HA ARG 28 HA ARG 28 2.564 -6.080 -6.552 207 1HB ARG 28 HB2 ARG 28 4.762 -6.047 -8.647 208 2HB ARG 28 HB1 ARG 28 4.461 -7.384 -7.538 209 1HG ARG 28 HG2 ARG 28 3.283 -8.007 -9.484 210 2HG ARG 28 HG1 ARG 28 2.034 -7.321 -8.446 211 1HD ARG 28 HD2 ARG 28 1.666 -5.578 -9.865 212 2HD ARG 28 HD1 ARG 28 3.402 -5.324 -10.134 213 HE ARG 28 HE ARG 28 3.166 -6.624 -12.081 214 1HH1 ARG 28 HH21 ARG 28 0.102 -6.467 -11.666 215 2HH1 ARG 28 HH22 ARG 28 -0.313 -8.142 -11.796 216 1HH2 ARG 28 HH11 ARG 28 2.960 -9.245 -11.412 217 2HH2 ARG 28 HH12 ARG 28 1.309 -9.723 -11.639 218 H GLN 29 HN GLN 29 5.919 -5.978 -6.991 219 HA GLN 29 HA GLN 29 6.436 -3.928 -4.934 220 1HB GLN 29 HB2 GLN 29 7.034 -6.870 -4.495 221 2HB GLN 29 HB1 GLN 29 7.381 -5.559 -3.370 222 1HG GLN 29 HG2 GLN 29 4.900 -5.039 -3.384 223 2HG GLN 29 HG1 GLN 29 4.666 -6.546 -4.260 224 1HE2 GLN 29 HE21 GLN 29 3.911 -8.062 -2.779 225 2HE2 GLN 29 HE22 GLN 29 4.567 -8.324 -1.238 226 H ALA 30 HN ALA 30 8.256 -6.852 -5.895 227 HA ALA 30 HA ALA 30 10.339 -7.049 -7.022 228 1HB ALA 30 HB1 ALA 30 10.457 -4.446 -8.184 229 2HB ALA 30 HB2 ALA 30 8.784 -4.995 -8.242 230 3HB ALA 30 HB3 ALA 30 10.061 -5.971 -8.975 231 H GLY 31 HN GLY 31 9.831 -5.344 -4.427 232 1HA GLY 31 HA2 GLY 31 11.835 -4.822 -3.044 233 2HA GLY 31 HA1 GLY 31 12.527 -4.085 -4.493 234 H ALA 32 HN ALA 32 9.374 -3.806 -2.785 235 HA ALA 32 HA ALA 32 9.789 -0.832 -2.856 236 1HB ALA 32 HB1 ALA 32 7.315 -0.748 -3.368 237 2HB ALA 32 HB2 ALA 32 7.352 -2.501 -3.540 238 3HB ALA 32 HB3 ALA 32 8.282 -1.486 -4.646 239 H ALA 33 HN ALA 33 8.979 0.287 -1.108 240 HA ALA 33 HA ALA 33 7.615 -1.274 1.051 241 1HB ALA 33 HB1 ALA 33 8.989 0.821 2.269 242 2HB ALA 33 HB2 ALA 33 10.101 0.287 1.007 243 3HB ALA 33 HB3 ALA 33 9.523 -0.859 2.217 244 H LEU 34 HN LEU 34 6.143 0.240 2.350 245 HA LEU 34 HA LEU 34 5.481 2.777 0.940 246 1HB LEU 34 HB2 LEU 34 3.924 1.686 -0.256 247 2HB LEU 34 HB1 LEU 34 4.165 0.213 0.674 248 HG LEU 34 HG LEU 34 2.485 2.527 1.692 249 1HD1 LEU 34 HD11 LEU 34 1.763 1.264 -0.538 250 2HD1 LEU 34 HD12 LEU 34 0.578 1.619 0.722 251 3HD1 LEU 34 HD13 LEU 34 1.283 0.010 0.604 252 1HD2 LEU 34 HD21 LEU 34 1.585 0.091 2.692 253 2HD2 LEU 34 HD22 LEU 34 2.587 1.253 3.560 254 3HD2 LEU 34 HD23 LEU 34 3.339 -0.084 2.690 255 H ALA 35 HN ALA 35 4.111 4.209 2.236 256 HA ALA 35 HA ALA 35 3.920 3.352 5.117 257 1HB ALA 35 HB1 ALA 35 4.847 5.357 5.706 258 2HB ALA 35 HB2 ALA 35 3.936 6.242 4.491 259 3HB ALA 35 HB3 ALA 35 5.417 5.400 4.042 260 H ILE 36 HN ILE 36 1.776 3.045 5.660 261 HA ILE 36 HA ILE 36 -0.234 4.629 4.114 262 HB ILE 36 HB ILE 36 -0.560 2.153 5.854 263 1HG1 ILE 36 HG12 ILE 36 -0.351 2.534 2.851 264 2HG1 ILE 36 HG11 ILE 36 0.772 1.647 3.881 265 1HG2 ILE 36 HG21 ILE 36 -2.473 4.008 5.006 266 2HG2 ILE 36 HG22 ILE 36 -2.805 2.355 5.518 267 3HG2 ILE 36 HG23 ILE 36 -2.580 2.720 3.807 268 1HD1 ILE 36 HD11 ILE 36 -0.468 -0.160 3.245 269 2HD1 ILE 36 HD12 ILE 36 -1.867 0.827 2.820 270 3HD1 ILE 36 HD13 ILE 36 -1.569 0.400 4.505 271 H ASN 37 HN ASN 37 -1.512 6.137 5.208 272 HA ASN 37 HA ASN 37 -2.201 7.523 7.000 273 1HB ASN 37 HB2 ASN 37 -1.908 4.770 8.224 274 2HB ASN 37 HB1 ASN 37 -2.479 6.141 9.174 275 1HD2 ASN 37 HD21 ASN 37 -4.108 3.797 8.494 276 2HD2 ASN 37 HD22 ASN 37 -5.397 4.355 7.541 277 H GLN 38 HN GLN 38 0.732 6.967 6.355 278 HA GLN 38 HA GLN 38 2.709 8.035 7.074 279 1HB GLN 38 HB2 GLN 38 2.523 9.629 8.702 280 2HB GLN 38 HB1 GLN 38 0.801 9.312 8.517 281 1HG GLN 38 HG2 GLN 38 0.942 9.036 10.795 282 2HG GLN 38 HG1 GLN 38 1.398 7.397 10.325 283 1HE2 GLN 38 HE21 GLN 38 2.748 7.242 12.310 284 2HE2 GLN 38 HE22 GLN 38 4.258 8.014 12.371 285 H GLN 39 HN GLN 39 1.357 5.228 8.228 286 HA GLN 39 HA GLN 39 3.656 4.697 10.047 287 1HB GLN 39 HB2 GLN 39 2.387 2.615 10.586 288 2HB GLN 39 HB1 GLN 39 1.429 4.066 10.860 289 1HG GLN 39 HG2 GLN 39 -0.082 3.491 9.292 290 2HG GLN 39 HG1 GLN 39 1.161 2.999 8.147 291 1HE2 GLN 39 HE21 GLN 39 2.481 0.988 9.694 292 2HE2 GLN 39 HE22 GLN 39 1.400 -0.291 9.971 293 H ILE 40 HN ILE 40 5.454 4.104 8.893 294 HA ILE 40 HA ILE 40 5.293 2.889 6.266 295 HB ILE 40 HB ILE 40 7.456 3.449 8.298 296 1HG1 ILE 40 HG12 ILE 40 8.282 4.678 6.108 297 2HG1 ILE 40 HG11 ILE 40 6.596 4.511 5.621 298 1HG2 ILE 40 HG21 ILE 40 8.697 1.748 7.450 299 2HG2 ILE 40 HG22 ILE 40 8.775 2.680 5.957 300 3HG2 ILE 40 HG23 ILE 40 7.531 1.444 6.160 301 1HD1 ILE 40 HD11 ILE 40 6.877 5.443 8.382 302 2HD1 ILE 40 HD12 ILE 40 5.923 6.120 7.062 303 3HD1 ILE 40 HD13 ILE 40 7.631 6.533 7.217 304 H VAL 41 HN VAL 41 4.598 0.834 6.019 305 HA VAL 41 HA VAL 41 5.161 -1.184 8.145 306 HB VAL 41 HB VAL 41 3.395 -1.231 5.699 307 1HG1 VAL 41 HG11 VAL 41 3.393 -3.013 8.150 308 2HG1 VAL 41 HG12 VAL 41 4.141 -3.446 6.613 309 3HG1 VAL 41 HG13 VAL 41 2.398 -3.198 6.708 310 1HG2 VAL 41 HG21 VAL 41 1.956 -1.180 8.172 311 2HG2 VAL 41 HG22 VAL 41 1.965 0.044 6.903 312 3HG2 VAL 41 HG23 VAL 41 3.143 0.122 8.211 313 HA PRO 42 HA PRO 42 8.002 -3.084 5.459 314 1HB PRO 42 HB2 PRO 42 7.991 -5.568 6.552 315 2HB PRO 42 HB1 PRO 42 8.836 -4.178 7.234 316 1HG PRO 42 HG2 PRO 42 6.292 -5.442 8.054 317 2HG PRO 42 HG1 PRO 42 7.532 -4.672 9.054 318 1HD PRO 42 HD2 PRO 42 5.154 -3.500 8.325 319 2HD PRO 42 HD1 PRO 42 6.604 -2.610 8.823 320 H ARG 43 HN ARG 43 7.549 -3.712 3.577 321 HA ARG 43 HA ARG 43 5.512 -4.409 2.062 322 1HB ARG 43 HB2 ARG 43 7.037 -6.279 1.053 323 2HB ARG 43 HB1 ARG 43 7.604 -4.613 1.042 324 1HG ARG 43 HG2 ARG 43 9.420 -5.270 2.198 325 2HG ARG 43 HG1 ARG 43 8.374 -5.726 3.539 326 1HD ARG 43 HD2 ARG 43 8.676 -7.925 3.125 327 2HD ARG 43 HD1 ARG 43 8.300 -7.714 1.403 328 HE ARG 43 HE ARG 43 10.966 -6.872 2.452 329 1HH1 ARG 43 HH21 ARG 43 10.383 -9.844 1.781 330 2HH1 ARG 43 HH22 ARG 43 11.054 -9.932 0.186 331 1HH2 ARG 43 HH11 ARG 43 11.185 -6.485 -0.220 332 2HH2 ARG 43 HH12 ARG 43 11.495 -8.022 -0.958 333 H GLU 44 HN GLU 44 7.113 -7.090 3.755 334 HA GLU 44 HA GLU 44 5.539 -9.210 3.170 335 1HB GLU 44 HB2 GLU 44 7.468 -9.242 4.600 336 2HB GLU 44 HB1 GLU 44 6.643 -8.259 5.811 337 1HG GLU 44 HG2 GLU 44 5.133 -10.675 5.132 338 2HG GLU 44 HG1 GLU 44 6.736 -11.045 5.768 339 H GLN 45 HN GLN 45 4.738 -6.830 5.702 340 HA GLN 45 HA GLN 45 2.295 -8.003 6.554 341 1HB GLN 45 HB2 GLN 45 3.378 -5.177 6.489 342 2HB GLN 45 HB1 GLN 45 1.853 -5.571 7.277 343 1HG GLN 45 HG2 GLN 45 3.385 -7.462 8.406 344 2HG GLN 45 HG1 GLN 45 4.637 -6.262 8.078 345 1HE2 GLN 45 HE21 GLN 45 4.674 -6.063 10.552 346 2HE2 GLN 45 HE22 GLN 45 3.537 -5.031 11.280 347 H TRP 46 HN TRP 46 2.938 -5.870 3.776 348 HA TRP 46 HA TRP 46 0.512 -4.858 3.073 349 1HB TRP 46 HB2 TRP 46 2.461 -6.455 1.384 350 2HB TRP 46 HB1 TRP 46 1.203 -5.425 0.717 351 HD1 TRP 46 HD1 TRP 46 2.519 -3.845 3.768 352 HE1 TRP 46 HE1 TRP 46 4.215 -1.996 3.180 353 HE3 TRP 46 HE3 TRP 46 3.301 -4.896 -1.167 354 HZ2 TRP 46 HZ2 TRP 46 5.716 -1.096 0.898 355 HZ3 TRP 46 HZ3 TRP 46 4.866 -3.516 -2.514 356 HH2 TRP 46 HH2 TRP 46 6.072 -1.620 -1.478 357 H ALA 47 HN ALA 47 1.425 -8.252 2.990 358 HA ALA 47 HA ALA 47 -0.943 -9.153 1.584 359 1HB ALA 47 HB1 ALA 47 0.024 -11.334 2.212 360 2HB ALA 47 HB2 ALA 47 1.121 -10.508 3.325 361 3HB ALA 47 HB3 ALA 47 1.249 -10.230 1.588 362 H GLN 48 HN GLN 48 -0.244 -8.405 4.909 363 HA GLN 48 HA GLN 48 -2.865 -9.634 5.692 364 1HB GLN 48 HB2 GLN 48 -0.217 -9.428 7.164 365 2HB GLN 48 HB1 GLN 48 -1.725 -9.877 7.960 366 1HG GLN 48 HG2 GLN 48 -1.973 -11.822 6.567 367 2HG GLN 48 HG1 GLN 48 -0.629 -11.323 5.539 368 1HE2 GLN 48 HE21 GLN 48 1.071 -12.762 5.974 369 2HE2 GLN 48 HE22 GLN 48 1.582 -13.203 7.532 370 H HIS 49 HN HIS 49 -1.517 -6.853 4.908 371 HA HIS 49 HA HIS 49 -2.337 -5.219 7.236 372 1HB HIS 49 HB2 HIS 49 -0.192 -4.917 6.032 373 2HB HIS 49 HB1 HIS 49 -1.085 -4.594 4.548 374 HD1 HIS 49 HD1 HIS 49 0.713 -2.362 5.562 375 HD2 HIS 49 HD2 HIS 49 -3.268 -2.728 6.747 376 HE1 HIS 49 HE1 HIS 49 -0.013 -0.067 6.350 377 H ILE 50 HN ILE 50 -4.673 -5.968 6.748 378 HA ILE 50 HA ILE 50 -6.113 -5.437 4.438 379 HB ILE 50 HB ILE 50 -6.899 -5.132 7.345 380 1HG1 ILE 50 HG12 ILE 50 -5.960 -7.356 6.505 381 2HG1 ILE 50 HG11 ILE 50 -7.583 -7.432 7.189 382 1HG2 ILE 50 HG21 ILE 50 -9.076 -5.934 5.705 383 2HG2 ILE 50 HG22 ILE 50 -8.328 -4.543 4.918 384 3HG2 ILE 50 HG23 ILE 50 -8.894 -4.415 6.583 385 1HD1 ILE 50 HD11 ILE 50 -8.540 -7.938 5.187 386 2HD1 ILE 50 HD12 ILE 50 -6.912 -8.457 4.754 387 3HD1 ILE 50 HD13 ILE 50 -7.476 -6.849 4.295 388 H VAL 51 HN VAL 51 -6.611 -3.689 3.388 389 HA VAL 51 HA VAL 51 -5.922 -0.978 4.350 390 HB VAL 51 HB VAL 51 -7.060 -2.043 1.747 391 1HG1 VAL 51 HG11 VAL 51 -6.199 0.551 2.708 392 2HG1 VAL 51 HG12 VAL 51 -7.108 0.134 1.253 393 3HG1 VAL 51 HG13 VAL 51 -5.346 0.056 1.248 394 1HG2 VAL 51 HG21 VAL 51 -4.797 -3.013 2.745 395 2HG2 VAL 51 HG22 VAL 51 -4.147 -1.471 2.188 396 3HG2 VAL 51 HG23 VAL 51 -4.909 -2.569 1.049 397 H GLN 52 HN GLN 52 -7.503 0.714 4.556 398 HA GLN 52 HA GLN 52 -10.367 -0.220 4.627 399 1HB GLN 52 HB2 GLN 52 -8.866 1.860 6.221 400 2HB GLN 52 HB1 GLN 52 -10.578 1.479 6.411 401 1HG GLN 52 HG2 GLN 52 -8.722 -0.839 6.518 402 2HG GLN 52 HG1 GLN 52 -8.626 0.278 7.879 403 1HE2 GLN 52 HE21 GLN 52 -10.286 -2.450 6.784 404 2HE2 GLN 52 HE22 GLN 52 -11.678 -2.307 7.746 405 H ASP 53 HN ASP 53 -11.984 1.256 3.856 406 HA ASP 53 HA ASP 53 -11.456 2.946 1.697 407 1HB ASP 53 HB2 ASP 53 -13.660 3.838 2.170 408 2HB ASP 53 HB1 ASP 53 -13.638 2.104 2.470 409 H GLY 54 HN GLY 54 -10.041 4.487 1.743 410 1HA GLY 54 HA2 GLY 54 -9.672 6.899 2.325 411 2HA GLY 54 HA1 GLY 54 -9.932 6.416 4.011 412 H ASP 55 HN ASP 55 -8.453 4.004 2.195 413 HA ASP 55 HA ASP 55 -6.139 3.729 3.718 414 1HB ASP 55 HB2 ASP 55 -7.010 2.063 2.211 415 2HB ASP 55 HB1 ASP 55 -6.711 3.107 0.824 416 H GLN 56 HN GLN 56 -4.589 5.319 3.995 417 HA GLN 56 HA GLN 56 -3.742 6.990 1.672 418 1HB GLN 56 HB2 GLN 56 -4.089 8.178 3.732 419 2HB GLN 56 HB1 GLN 56 -3.242 6.941 4.664 420 1HG GLN 56 HG2 GLN 56 -1.288 7.967 4.338 421 2HG GLN 56 HG1 GLN 56 -1.514 7.917 2.593 422 1HE2 GLN 56 HE21 GLN 56 -3.586 9.621 2.074 423 2HE2 GLN 56 HE22 GLN 56 -3.281 11.177 2.676 424 H ILE 57 HN ILE 57 -1.619 6.754 0.788 425 HA ILE 57 HA ILE 57 0.039 4.557 1.967 426 HB ILE 57 HB ILE 57 -0.944 4.916 -0.851 427 1HG1 ILE 57 HG12 ILE 57 -1.222 2.579 1.045 428 2HG1 ILE 57 HG11 ILE 57 -2.476 3.799 0.780 429 1HG2 ILE 57 HG21 ILE 57 1.135 4.116 -1.349 430 2HG2 ILE 57 HG22 ILE 57 0.380 2.581 -0.932 431 3HG2 ILE 57 HG23 ILE 57 1.372 3.431 0.258 432 1HD1 ILE 57 HD11 ILE 57 -2.671 1.702 -0.654 433 2HD1 ILE 57 HD12 ILE 57 -1.210 2.245 -1.479 434 3HD1 ILE 57 HD13 ILE 57 -2.669 3.232 -1.528 435 H LEU 58 HN LEU 58 2.245 4.708 1.586 436 HA LEU 58 HA LEU 58 3.244 7.110 0.115 437 1HB LEU 58 HB2 LEU 58 3.526 6.364 2.812 438 2HB LEU 58 HB1 LEU 58 5.093 6.058 2.066 439 HG LEU 58 HG LEU 58 4.667 8.441 0.973 440 1HD1 LEU 58 HD11 LEU 58 2.645 9.231 1.717 441 2HD1 LEU 58 HD12 LEU 58 3.602 9.725 3.112 442 3HD1 LEU 58 HD13 LEU 58 2.674 8.228 3.166 443 1HD2 LEU 58 HD21 LEU 58 6.570 8.027 2.382 444 2HD2 LEU 58 HD22 LEU 58 5.551 7.883 3.814 445 3HD2 LEU 58 HD23 LEU 58 5.762 9.451 3.038 446 H LEU 59 HN LEU 59 4.991 6.615 -1.376 447 HA LEU 59 HA LEU 59 5.375 3.665 -1.751 448 1HB LEU 59 HB2 LEU 59 4.206 4.953 -3.522 449 2HB LEU 59 HB1 LEU 59 5.607 6.006 -3.682 450 HG LEU 59 HG LEU 59 5.365 4.058 -5.372 451 1HD1 LEU 59 HD11 LEU 59 8.017 3.613 -4.372 452 2HD1 LEU 59 HD12 LEU 59 7.603 5.312 -4.147 453 3HD1 LEU 59 HD13 LEU 59 7.512 4.587 -5.752 454 1HD2 LEU 59 HD21 LEU 59 6.508 2.516 -3.021 455 2HD2 LEU 59 HD22 LEU 59 6.178 1.898 -4.639 456 3HD2 LEU 59 HD23 LEU 59 4.843 2.362 -3.585 457 H PHE 60 HN PHE 60 7.383 2.835 -1.396 458 HA PHE 60 HA PHE 60 9.747 4.697 -1.425 459 1HB PHE 60 HB2 PHE 60 9.237 2.090 0.059 460 2HB PHE 60 HB1 PHE 60 10.737 3.010 0.139 461 HD1 PHE 60 HD1 PHE 60 10.961 4.824 1.650 462 HD2 PHE 60 HD2 PHE 60 7.093 3.222 0.792 463 HE1 PHE 60 HE1 PHE 60 9.990 6.196 3.480 464 HE2 PHE 60 HE2 PHE 60 6.113 4.577 2.604 465 HZ PHE 60 HZ PHE 60 7.559 6.070 3.959 466 H GLN 61 HN GLN 61 11.467 4.094 -2.794 467 HA GLN 61 HA GLN 61 10.958 1.789 -4.600 468 1HB GLN 61 HB2 GLN 61 12.961 4.070 -4.582 469 2HB GLN 61 HB1 GLN 61 12.847 2.865 -5.865 470 1HG GLN 61 HG2 GLN 61 10.552 3.539 -6.352 471 2HG GLN 61 HG1 GLN 61 10.566 4.670 -4.999 472 1HE2 GLN 61 HE21 GLN 61 12.049 6.572 -5.189 473 2HE2 GLN 61 HE22 GLN 61 12.517 7.118 -6.731 474 H VAL 62 HN VAL 62 11.969 -0.153 -4.221 475 HA VAL 62 HA VAL 62 13.492 -1.729 -3.389 476 HB VAL 62 HB VAL 62 15.565 -1.307 -4.201 477 1HG1 VAL 62 HG11 VAL 62 15.571 0.237 -5.912 478 2HG1 VAL 62 HG12 VAL 62 14.775 1.481 -4.946 479 3HG1 VAL 62 HG13 VAL 62 13.842 0.127 -5.586 480 1HG2 VAL 62 HG21 VAL 62 16.656 -0.277 -2.449 481 2HG2 VAL 62 HG22 VAL 62 15.481 1.033 -2.336 482 3HG2 VAL 62 HG23 VAL 62 16.681 1.034 -3.627 483 H ILE 63 HN ILE 63 14.590 -2.385 -1.461 484 HA ILE 63 HA ILE 63 13.885 -0.742 0.917 485 HB ILE 63 HB ILE 63 15.010 -3.548 0.897 486 1HG1 ILE 63 HG12 ILE 63 13.288 -3.662 -0.792 487 2HG1 ILE 63 HG11 ILE 63 12.607 -4.340 0.688 488 1HG2 ILE 63 HG21 ILE 63 12.806 -2.358 2.585 489 2HG2 ILE 63 HG22 ILE 63 14.507 -2.176 3.006 490 3HG2 ILE 63 HG23 ILE 63 13.785 -3.783 2.932 491 1HD1 ILE 63 HD11 ILE 63 10.947 -2.845 -0.146 492 2HD1 ILE 63 HD12 ILE 63 12.146 -1.594 -0.483 493 3HD1 ILE 63 HD13 ILE 63 11.731 -1.993 1.185 494 H ALA 64 HN ALA 64 15.593 0.734 0.877 495 HA ALA 64 HA ALA 64 18.331 -0.436 1.146 496 1HB ALA 64 HB1 ALA 64 17.760 2.298 0.079 497 2HB ALA 64 HB2 ALA 64 17.406 0.900 -0.931 498 3HB ALA 64 HB3 ALA 64 19.051 1.176 -0.356 499 H GLY 65 HN GLY 65 19.216 -0.017 3.128 500 1HA GLY 65 HA2 GLY 65 18.478 2.534 4.496 501 2HA GLY 65 HA1 GLY 65 18.431 1.011 5.387 502 H GLY 66 HN GLY 66 20.234 3.572 5.384 503 1HA GLY 66 HA2 GLY 66 22.424 3.385 6.572 504 2HA GLY 66 HA1 GLY 66 22.807 2.046 5.488 Start of MODEL 2 1 1H MET 1 HT1 MET 1 14.911 0.290 2.077 2 2H MET 1 HT2 MET 1 13.916 0.538 3.428 3 3H MET 1 HT3 MET 1 14.917 1.791 2.865 4 HA MET 1 HA MET 1 13.586 1.619 0.688 5 1HB MET 1 HB2 MET 1 12.729 -0.624 1.794 6 2HB MET 1 HB1 MET 1 11.531 0.463 2.503 7 1HG MET 1 HG2 MET 1 11.325 1.380 0.104 8 2HG MET 1 HG1 MET 1 12.021 -0.168 -0.361 9 1HE MET 1 HE1 MET 1 10.353 -0.247 -1.721 10 2HE MET 1 HE2 MET 1 8.885 0.639 -1.311 11 3HE MET 1 HE3 MET 1 8.840 -1.117 -1.447 12 H GLN 2 HN GLN 2 11.756 3.101 0.480 13 HA GLN 2 HA GLN 2 10.790 4.482 2.906 14 1HB GLN 2 HB2 GLN 2 12.876 5.658 2.222 15 2HB GLN 2 HB1 GLN 2 12.177 5.898 0.619 16 1HG GLN 2 HG2 GLN 2 10.221 7.027 1.726 17 2HG GLN 2 HG1 GLN 2 11.118 6.966 3.241 18 1HE2 GLN 2 HE21 GLN 2 10.597 9.494 2.607 19 2HE2 GLN 2 HE22 GLN 2 11.906 10.282 1.870 20 H ILE 3 HN ILE 3 8.834 5.408 2.565 21 HA ILE 3 HA ILE 3 7.740 5.241 -0.166 22 HB ILE 3 HB ILE 3 6.308 3.559 0.422 23 1HG1 ILE 3 HG12 ILE 3 6.298 4.913 3.046 24 2HG1 ILE 3 HG11 ILE 3 4.955 4.255 2.133 25 1HG2 ILE 3 HG21 ILE 3 8.662 2.739 0.802 26 2HG2 ILE 3 HG22 ILE 3 7.480 1.882 1.783 27 3HG2 ILE 3 HG23 ILE 3 8.474 3.144 2.510 28 1HD1 ILE 3 HD11 ILE 3 5.515 1.997 2.838 29 2HD1 ILE 3 HD12 ILE 3 5.382 3.024 4.267 30 3HD1 ILE 3 HD13 ILE 3 6.970 2.569 3.655 31 H LEU 4 HN LEU 4 5.307 5.881 0.017 32 HA LEU 4 HA LEU 4 4.944 8.020 2.058 33 1HB LEU 4 HB2 LEU 4 5.588 8.963 -0.159 34 2HB LEU 4 HB1 LEU 4 4.206 8.136 -0.878 35 HG LEU 4 HG LEU 4 3.866 10.641 -0.144 36 1HD1 LEU 4 HD11 LEU 4 2.187 8.453 -0.390 37 2HD1 LEU 4 HD12 LEU 4 1.671 10.133 -0.230 38 3HD1 LEU 4 HD13 LEU 4 1.789 9.102 1.197 39 1HD2 LEU 4 HD21 LEU 4 3.615 11.087 2.115 40 2HD2 LEU 4 HD22 LEU 4 4.924 9.915 2.168 41 3HD2 LEU 4 HD23 LEU 4 3.275 9.404 2.502 42 H PHE 5 HN PHE 5 3.334 7.119 3.271 43 HA PHE 5 HA PHE 5 1.140 5.685 1.820 44 1HB PHE 5 HB2 PHE 5 2.426 4.409 3.460 45 2HB PHE 5 HB1 PHE 5 2.141 5.628 4.690 46 HD1 PHE 5 HD1 PHE 5 0.601 2.927 2.674 47 HD2 PHE 5 HD2 PHE 5 0.042 5.713 5.896 48 HE1 PHE 5 HE1 PHE 5 -1.426 1.691 3.388 49 HE2 PHE 5 HE2 PHE 5 -1.990 4.483 6.601 50 HZ PHE 5 HZ PHE 5 -2.724 2.473 5.354 51 H ASN 6 HN ASN 6 -0.327 7.312 1.337 52 HA ASN 6 HA ASN 6 -1.974 8.915 1.738 53 1HB ASN 6 HB2 ASN 6 -2.307 7.187 3.664 54 2HB ASN 6 HB1 ASN 6 -1.540 8.403 4.680 55 1HD2 ASN 6 HD21 ASN 6 -2.989 9.827 5.644 56 2HD2 ASN 6 HD22 ASN 6 -4.521 10.220 5.033 57 H ASP 7 HN ASP 7 0.260 9.981 1.121 58 HA ASP 7 HA ASP 7 1.621 11.873 1.263 59 1HB ASP 7 HB2 ASP 7 -0.101 13.136 3.297 60 2HB ASP 7 HB1 ASP 7 0.438 13.746 1.733 61 H GLN 8 HN GLN 8 1.677 9.617 3.394 62 HA GLN 8 HA GLN 8 3.197 11.158 5.488 63 1HB GLN 8 HB2 GLN 8 1.898 8.425 5.598 64 2HB GLN 8 HB1 GLN 8 2.635 9.276 6.951 65 1HG GLN 8 HG2 GLN 8 0.804 11.073 5.738 66 2HG GLN 8 HG1 GLN 8 -0.034 9.535 5.943 67 1HE2 GLN 8 HE21 GLN 8 2.469 11.169 7.967 68 2HE2 GLN 8 HE22 GLN 8 1.551 11.134 9.391 69 H ALA 9 HN ALA 9 5.381 10.851 5.368 70 HA ALA 9 HA ALA 9 6.503 8.952 3.485 71 1HB ALA 9 HB1 ALA 9 7.555 10.886 5.539 72 2HB ALA 9 HB2 ALA 9 7.558 11.047 3.784 73 3HB ALA 9 HB3 ALA 9 8.645 9.893 4.569 74 H MET 10 HN MET 10 7.730 7.116 3.900 75 HA MET 10 HA MET 10 7.805 6.015 6.705 76 1HB MET 10 HB2 MET 10 5.961 5.303 4.793 77 2HB MET 10 HB1 MET 10 7.251 4.132 4.551 78 1HG MET 10 HG2 MET 10 5.822 3.118 6.107 79 2HG MET 10 HG1 MET 10 7.164 3.738 7.068 80 1HE MET 10 HE1 MET 10 2.829 5.008 6.901 81 2HE MET 10 HE2 MET 10 3.665 3.664 6.126 82 3HE MET 10 HE3 MET 10 3.821 5.290 5.465 83 H GLN 11 HN GLN 11 8.817 3.761 6.537 84 HA GLN 11 HA GLN 11 10.861 3.377 4.475 85 1HB GLN 11 HB2 GLN 11 11.779 3.106 7.278 86 2HB GLN 11 HB1 GLN 11 12.707 3.514 5.854 87 1HG GLN 11 HG2 GLN 11 12.702 5.577 6.860 88 2HG GLN 11 HG1 GLN 11 11.210 5.720 5.947 89 1HE2 GLN 11 HE21 GLN 11 12.141 6.795 8.717 90 2HE2 GLN 11 HE22 GLN 11 10.849 6.389 9.747 91 H CYS 12 HN CYS 12 10.717 1.305 4.028 92 HA CYS 12 HA CYS 12 10.295 -0.750 6.116 93 1HB CYS 12 HB2 CYS 12 8.293 -1.624 4.916 94 2HB CYS 12 HB1 CYS 12 8.041 -0.010 5.569 95 HG CYS 12 HG CYS 12 8.088 -0.743 2.615 96 H ALA 13 HN ALA 13 9.527 -2.705 4.081 97 HA ALA 13 HA ALA 13 12.230 -3.246 3.160 98 1HB ALA 13 HB1 ALA 13 9.918 -5.052 2.660 99 2HB ALA 13 HB2 ALA 13 10.383 -4.740 4.330 100 3HB ALA 13 HB3 ALA 13 11.545 -5.452 3.210 101 H ALA 14 HN ALA 14 12.896 -2.492 1.219 102 HA ALA 14 HA ALA 14 11.145 -1.824 -0.965 103 1HB ALA 14 HB1 ALA 14 13.927 -2.679 -1.518 104 2HB ALA 14 HB2 ALA 14 13.746 -1.365 -0.361 105 3HB ALA 14 HB3 ALA 14 13.099 -1.200 -1.991 106 H GLY 15 HN GLY 15 10.483 -3.079 -2.670 107 1HA GLY 15 HA2 GLY 15 10.376 -4.953 -4.114 108 2HA GLY 15 HA1 GLY 15 11.587 -5.736 -3.106 109 H GLN 16 HN GLN 16 9.366 -4.482 -1.038 110 HA GLN 16 HA GLN 16 8.043 -7.109 -0.648 111 1HB GLN 16 HB2 GLN 16 8.025 -6.435 1.539 112 2HB GLN 16 HB1 GLN 16 9.238 -5.297 0.973 113 1HG GLN 16 HG2 GLN 16 7.466 -3.609 0.586 114 2HG GLN 16 HG1 GLN 16 6.263 -4.742 1.197 115 1HE2 GLN 16 HE21 GLN 16 6.873 -5.650 3.495 116 2HE2 GLN 16 HE22 GLN 16 7.493 -4.522 4.600 117 H THR 17 HN THR 17 5.839 -7.361 -1.326 118 HA THR 17 HA THR 17 4.506 -5.360 -2.838 119 HB THR 17 HB THR 17 2.676 -6.801 -2.850 120 HG1 THR 17 HG1 THR 17 2.036 -7.932 -1.090 121 1HG2 THR 17 HG21 THR 17 4.660 -8.798 -1.826 122 2HG2 THR 17 HG22 THR 17 4.930 -7.981 -3.368 123 3HG2 THR 17 HG23 THR 17 3.484 -8.967 -3.130 124 H VAL 18 HN VAL 18 2.024 -5.191 -1.946 125 HA VAL 18 HA VAL 18 1.985 -3.069 0.059 126 HB VAL 18 HB VAL 18 -0.044 -4.786 -1.279 127 1HG1 VAL 18 HG11 VAL 18 -1.421 -3.759 0.165 128 2HG1 VAL 18 HG12 VAL 18 -1.238 -2.385 -0.921 129 3HG1 VAL 18 HG13 VAL 18 -0.237 -2.510 0.524 130 1HG2 VAL 18 HG21 VAL 18 1.158 -2.166 -2.079 131 2HG2 VAL 18 HG22 VAL 18 -0.174 -2.963 -2.924 132 3HG2 VAL 18 HG23 VAL 18 1.421 -3.722 -2.868 133 H HIS 19 HN HIS 19 0.508 -6.266 -0.329 134 HA HIS 19 HA HIS 19 -0.531 -6.680 2.252 135 1HB HIS 19 HB2 HIS 19 -0.654 -8.119 0.122 136 2HB HIS 19 HB1 HIS 19 0.984 -8.645 0.492 137 HD1 HIS 19 HD1 HIS 19 -2.392 -9.669 1.008 138 HD2 HIS 19 HD2 HIS 19 1.038 -9.701 3.382 139 HE1 HIS 19 HE1 HIS 19 -2.788 -11.386 2.820 140 H GLU 20 HN GLU 20 2.614 -6.653 0.829 141 HA GLU 20 HA GLU 20 3.998 -7.719 3.231 142 1HB GLU 20 HB2 GLU 20 4.761 -6.697 0.508 143 2HB GLU 20 HB1 GLU 20 5.998 -6.956 1.738 144 1HG GLU 20 HG2 GLU 20 3.993 -9.098 0.993 145 2HG GLU 20 HG1 GLU 20 5.536 -8.930 0.160 146 H LEU 21 HN LEU 21 3.396 -4.589 1.621 147 HA LEU 21 HA LEU 21 5.100 -3.143 3.523 148 1HB LEU 21 HB2 LEU 21 4.682 -2.252 1.281 149 2HB LEU 21 HB1 LEU 21 2.939 -2.255 1.575 150 HG LEU 21 HG LEU 21 3.154 -0.609 3.333 151 1HD1 LEU 21 HD11 LEU 21 5.635 0.329 3.589 152 2HD1 LEU 21 HD12 LEU 21 6.060 -1.301 3.077 153 3HD1 LEU 21 HD13 LEU 21 5.096 -1.058 4.531 154 1HD2 LEU 21 HD21 LEU 21 3.440 1.161 1.946 155 2HD2 LEU 21 HD22 LEU 21 3.699 -0.054 0.695 156 3HD2 LEU 21 HD23 LEU 21 5.078 0.673 1.515 157 H LEU 22 HN LEU 22 1.565 -3.158 2.955 158 HA LEU 22 HA LEU 22 0.600 -1.832 5.187 159 1HB LEU 22 HB2 LEU 22 -0.230 -4.295 3.661 160 2HB LEU 22 HB1 LEU 22 -1.218 -3.721 4.999 161 HG LEU 22 HG LEU 22 -0.389 -2.063 2.607 162 1HD1 LEU 22 HD11 LEU 22 -2.786 -2.252 1.999 163 2HD1 LEU 22 HD12 LEU 22 -3.040 -3.324 3.375 164 3HD1 LEU 22 HD13 LEU 22 -2.006 -3.834 2.039 165 1HD2 LEU 22 HD21 LEU 22 -0.991 -0.327 3.891 166 2HD2 LEU 22 HD22 LEU 22 -1.367 -1.415 5.226 167 3HD2 LEU 22 HD23 LEU 22 -2.605 -1.020 4.036 168 H GLU 23 HN GLU 23 1.240 -5.316 5.006 169 HA GLU 23 HA GLU 23 0.846 -5.986 7.740 170 1HB GLU 23 HB2 GLU 23 1.163 -7.531 5.814 171 2HB GLU 23 HB1 GLU 23 2.860 -7.065 5.735 172 1HG GLU 23 HG2 GLU 23 3.121 -8.915 7.058 173 2HG GLU 23 HG1 GLU 23 2.714 -7.773 8.344 174 H GLN 24 HN GLN 24 3.843 -4.961 6.063 175 HA GLN 24 HA GLN 24 5.526 -4.956 8.405 176 1HB GLN 24 HB2 GLN 24 6.283 -4.970 6.023 177 2HB GLN 24 HB1 GLN 24 5.664 -3.329 5.837 178 1HG GLN 24 HG2 GLN 24 8.061 -3.243 6.301 179 2HG GLN 24 HG1 GLN 24 7.170 -2.585 7.674 180 1HE2 GLN 24 HE21 GLN 24 9.457 -4.981 6.744 181 2HE2 GLN 24 HE22 GLN 24 9.485 -5.838 8.205 182 H LEU 25 HN LEU 25 3.361 -2.633 6.909 183 HA LEU 25 HA LEU 25 4.100 -0.339 8.520 184 1HB LEU 25 HB2 LEU 25 1.729 -1.111 6.784 185 2HB LEU 25 HB1 LEU 25 1.935 0.485 7.480 186 HG LEU 25 HG LEU 25 3.416 -0.818 5.234 187 1HD1 LEU 25 HD11 LEU 25 1.826 1.542 5.739 188 2HD1 LEU 25 HD12 LEU 25 2.332 0.847 4.197 189 3HD1 LEU 25 HD13 LEU 25 3.384 1.982 5.040 190 1HD2 LEU 25 HD21 LEU 25 4.638 1.189 7.147 191 2HD2 LEU 25 HD22 LEU 25 5.249 0.903 5.520 192 3HD2 LEU 25 HD23 LEU 25 5.276 -0.399 6.714 193 H ASP 26 HN ASP 26 2.081 -3.132 8.812 194 HA ASP 26 HA ASP 26 0.955 -3.984 10.715 195 1HB ASP 26 HB2 ASP 26 2.573 -2.356 11.901 196 2HB ASP 26 HB1 ASP 26 1.242 -1.210 11.864 197 H GLN 27 HN GLN 27 -0.186 -2.624 8.368 198 HA GLN 27 HA GLN 27 -2.811 -1.807 9.569 199 1HB GLN 27 HB2 GLN 27 -2.010 -0.562 6.998 200 2HB GLN 27 HB1 GLN 27 -2.772 0.172 8.405 201 1HG GLN 27 HG2 GLN 27 -0.367 -0.234 9.485 202 2HG GLN 27 HG1 GLN 27 0.139 -0.187 7.795 203 1HE2 GLN 27 HE21 GLN 27 0.796 1.912 7.260 204 2HE2 GLN 27 HE22 GLN 27 0.036 3.335 7.784 205 H ARG 28 HN ARG 28 -4.243 -3.415 8.890 206 HA ARG 28 HA ARG 28 -3.685 -4.914 6.416 207 1HB ARG 28 HB2 ARG 28 -5.699 -5.034 8.654 208 2HB ARG 28 HB1 ARG 28 -5.940 -5.981 7.191 209 1HG ARG 28 HG2 ARG 28 -4.725 -7.510 8.417 210 2HG ARG 28 HG1 ARG 28 -3.393 -6.647 7.649 211 1HD ARG 28 HD2 ARG 28 -2.649 -6.359 9.795 212 2HD ARG 28 HD1 ARG 28 -3.877 -5.081 9.865 213 HE ARG 28 HE ARG 28 -5.086 -7.645 10.371 214 1HH1 ARG 28 HH11 ARG 28 -2.781 -7.860 12.218 215 2HH1 ARG 28 HH12 ARG 28 -3.343 -7.046 13.637 216 1HH2 ARG 28 HH21 ARG 28 -5.958 -5.446 12.017 217 2HH2 ARG 28 HH22 ARG 28 -5.139 -5.680 13.525 218 H GLN 29 HN GLN 29 -7.021 -4.351 7.090 219 HA GLN 29 HA GLN 29 -7.613 -2.033 5.645 220 1HB GLN 29 HB2 GLN 29 -8.256 -3.383 3.477 221 2HB GLN 29 HB1 GLN 29 -6.616 -2.801 3.705 222 1HG GLN 29 HG2 GLN 29 -5.803 -4.895 3.694 223 2HG GLN 29 HG1 GLN 29 -6.940 -5.401 4.938 224 1HE2 GLN 29 HE21 GLN 29 -6.529 -7.323 3.071 225 2HE2 GLN 29 HE22 GLN 29 -7.814 -7.412 1.963 226 H ALA 30 HN ALA 30 -8.760 -5.419 5.238 227 HA ALA 30 HA ALA 30 -10.877 -6.352 5.803 228 1HB ALA 30 HB1 ALA 30 -11.757 -4.016 7.342 229 2HB ALA 30 HB2 ALA 30 -10.159 -4.587 7.820 230 3HB ALA 30 HB3 ALA 30 -11.543 -5.685 7.871 231 H GLY 31 HN GLY 31 -10.305 -3.729 3.965 232 1HA GLY 31 HA2 GLY 31 -12.292 -3.670 2.218 233 2HA GLY 31 HA1 GLY 31 -13.084 -2.871 3.577 234 H ALA 32 HN ALA 32 -9.880 -2.735 1.990 235 HA ALA 32 HA ALA 32 -10.108 0.258 1.921 236 1HB ALA 32 HB1 ALA 32 -8.458 -1.360 3.551 237 2HB ALA 32 HB2 ALA 32 -8.333 0.385 3.320 238 3HB ALA 32 HB3 ALA 32 -7.407 -0.708 2.298 239 H ALA 33 HN ALA 33 -8.711 1.239 0.303 240 HA ALA 33 HA ALA 33 -7.535 -0.595 -1.736 241 1HB ALA 33 HB1 ALA 33 -9.996 0.876 -1.954 242 2HB ALA 33 HB2 ALA 33 -9.227 -0.154 -3.165 243 3HB ALA 33 HB3 ALA 33 -8.824 1.560 -3.080 244 H LEU 34 HN LEU 34 -5.907 0.639 -3.095 245 HA LEU 34 HA LEU 34 -5.248 3.311 -1.971 246 1HB LEU 34 HB2 LEU 34 -3.746 2.334 -0.601 247 2HB LEU 34 HB1 LEU 34 -4.062 0.768 -1.319 248 HG LEU 34 HG LEU 34 -2.167 2.815 -2.512 249 1HD1 LEU 34 HD11 LEU 34 -1.157 0.296 -1.313 250 2HD1 LEU 34 HD12 LEU 34 -1.738 1.501 -0.164 251 3HD1 LEU 34 HD13 LEU 34 -0.447 1.907 -1.295 252 1HD2 LEU 34 HD21 LEU 34 -3.369 0.466 -3.552 253 2HD2 LEU 34 HD22 LEU 34 -1.695 0.042 -3.177 254 3HD2 LEU 34 HD23 LEU 34 -2.045 1.389 -4.257 255 H ALA 35 HN ALA 35 -3.571 4.492 -3.225 256 HA ALA 35 HA ALA 35 -3.281 3.445 -6.038 257 1HB ALA 35 HB1 ALA 35 -4.254 5.356 -6.779 258 2HB ALA 35 HB2 ALA 35 -3.134 6.327 -5.831 259 3HB ALA 35 HB3 ALA 35 -4.631 5.758 -5.106 260 H ILE 36 HN ILE 36 -1.137 3.021 -6.368 261 HA ILE 36 HA ILE 36 0.822 4.649 -4.799 262 HB ILE 36 HB ILE 36 1.017 1.951 -6.170 263 1HG1 ILE 36 HG12 ILE 36 0.843 2.832 -3.291 264 2HG1 ILE 36 HG11 ILE 36 -0.297 1.831 -4.168 265 1HG2 ILE 36 HG21 ILE 36 3.093 2.814 -4.265 266 2HG2 ILE 36 HG22 ILE 36 3.079 3.690 -5.793 267 3HG2 ILE 36 HG23 ILE 36 3.255 1.937 -5.782 268 1HD1 ILE 36 HD11 ILE 36 2.124 0.496 -4.486 269 2HD1 ILE 36 HD12 ILE 36 0.828 0.054 -3.376 270 3HD1 ILE 36 HD13 ILE 36 2.164 1.058 -2.813 271 H ASN 37 HN ASN 37 2.245 5.988 -5.948 272 HA ASN 37 HA ASN 37 3.183 7.069 -7.833 273 1HB ASN 37 HB2 ASN 37 2.997 4.135 -8.503 274 2HB ASN 37 HB1 ASN 37 3.607 5.264 -9.706 275 1HD2 ASN 37 HD21 ASN 37 5.527 3.537 -8.949 276 2HD2 ASN 37 HD22 ASN 37 6.602 4.228 -7.831 277 H GLN 38 HN GLN 38 0.142 6.554 -7.517 278 HA GLN 38 HA GLN 38 -1.679 7.567 -8.660 279 1HB GLN 38 HB2 GLN 38 -1.283 8.742 -10.597 280 2HB GLN 38 HB1 GLN 38 0.382 8.530 -10.075 281 1HG GLN 38 HG2 GLN 38 0.050 6.233 -11.472 282 2HG GLN 38 HG1 GLN 38 -1.057 7.291 -12.356 283 1HE2 GLN 38 HE21 GLN 38 0.602 7.166 -14.168 284 2HE2 GLN 38 HE22 GLN 38 1.957 8.191 -14.091 285 H GLN 39 HN GLN 39 -0.391 4.564 -8.997 286 HA GLN 39 HA GLN 39 -2.476 3.665 -10.925 287 1HB GLN 39 HB2 GLN 39 -1.274 1.474 -10.725 288 2HB GLN 39 HB1 GLN 39 -0.229 2.770 -11.276 289 1HG GLN 39 HG2 GLN 39 1.082 2.644 -9.428 290 2HG GLN 39 HG1 GLN 39 -0.298 2.482 -8.349 291 1HE2 GLN 39 HE21 GLN 39 1.480 0.776 -7.486 292 2HE2 GLN 39 HE22 GLN 39 1.288 -0.802 -8.084 293 H ILE 40 HN ILE 40 -4.434 3.400 -9.896 294 HA ILE 40 HA ILE 40 -4.606 2.727 -7.071 295 HB ILE 40 HB ILE 40 -6.468 3.149 -9.389 296 1HG1 ILE 40 HG12 ILE 40 -7.530 4.472 -7.294 297 2HG1 ILE 40 HG11 ILE 40 -5.860 4.361 -6.733 298 1HG2 ILE 40 HG21 ILE 40 -7.318 1.915 -6.746 299 2HG2 ILE 40 HG22 ILE 40 -7.310 1.081 -8.299 300 3HG2 ILE 40 HG23 ILE 40 -8.403 2.436 -8.035 301 1HD1 ILE 40 HD11 ILE 40 -5.525 6.221 -7.985 302 2HD1 ILE 40 HD12 ILE 40 -6.994 5.968 -8.928 303 3HD1 ILE 40 HD13 ILE 40 -5.514 5.110 -9.354 304 H VAL 41 HN VAL 41 -3.899 0.713 -6.484 305 HA VAL 41 HA VAL 41 -4.359 -1.615 -8.274 306 HB VAL 41 HB VAL 41 -2.995 -1.295 -5.598 307 1HG1 VAL 41 HG11 VAL 41 -2.783 -3.547 -7.619 308 2HG1 VAL 41 HG12 VAL 41 -3.823 -3.599 -6.194 309 3HG1 VAL 41 HG13 VAL 41 -2.071 -3.487 -6.006 310 1HG2 VAL 41 HG21 VAL 41 -1.213 -0.503 -6.764 311 2HG2 VAL 41 HG22 VAL 41 -2.275 -0.383 -8.166 312 3HG2 VAL 41 HG23 VAL 41 -1.317 -1.840 -7.911 313 HA PRO 42 HA PRO 42 -7.670 -2.876 -5.774 314 1HB PRO 42 HB2 PRO 42 -7.880 -5.423 -6.645 315 2HB PRO 42 HB1 PRO 42 -8.418 -4.014 -7.559 316 1HG PRO 42 HG2 PRO 42 -6.049 -5.722 -7.951 317 2HG PRO 42 HG1 PRO 42 -6.980 -4.807 -9.151 318 1HD PRO 42 HD2 PRO 42 -4.531 -4.060 -8.017 319 2HD PRO 42 HD1 PRO 42 -5.614 -3.015 -8.956 320 H ARG 43 HN ARG 43 -7.514 -3.377 -3.803 321 HA ARG 43 HA ARG 43 -5.738 -4.097 -2.017 322 1HB ARG 43 HB2 ARG 43 -7.519 -5.719 -1.024 323 2HB ARG 43 HB1 ARG 43 -7.943 -4.030 -1.263 324 1HG ARG 43 HG2 ARG 43 -9.651 -4.662 -2.577 325 2HG ARG 43 HG1 ARG 43 -8.511 -5.400 -3.697 326 1HD ARG 43 HD2 ARG 43 -8.847 -7.518 -2.850 327 2HD ARG 43 HD1 ARG 43 -9.136 -6.917 -1.201 328 HE ARG 43 HE ARG 43 -11.150 -6.318 -3.314 329 1HH1 ARG 43 HH21 ARG 43 -10.640 -6.553 -0.056 330 2HH1 ARG 43 HH22 ARG 43 -12.021 -7.532 0.295 331 1HH2 ARG 43 HH11 ARG 43 -12.743 -8.159 -3.036 332 2HH2 ARG 43 HH12 ARG 43 -13.216 -8.444 -1.398 333 H GLU 44 HN GLU 44 -7.358 -6.797 -3.666 334 HA GLU 44 HA GLU 44 -5.948 -8.972 -2.812 335 1HB GLU 44 HB2 GLU 44 -7.829 -8.948 -4.337 336 2HB GLU 44 HB1 GLU 44 -6.845 -8.176 -5.584 337 1HG GLU 44 HG2 GLU 44 -5.299 -10.324 -5.170 338 2HG GLU 44 HG1 GLU 44 -6.832 -11.018 -4.640 339 H GLN 45 HN GLN 45 -4.941 -6.865 -5.504 340 HA GLN 45 HA GLN 45 -2.553 -8.234 -6.196 341 1HB GLN 45 HB2 GLN 45 -3.577 -5.408 -6.411 342 2HB GLN 45 HB1 GLN 45 -1.966 -5.807 -7.002 343 1HG GLN 45 HG2 GLN 45 -4.103 -7.674 -7.841 344 2HG GLN 45 HG1 GLN 45 -4.240 -6.039 -8.498 345 1HE2 GLN 45 HE21 GLN 45 -3.118 -8.898 -9.473 346 2HE2 GLN 45 HE22 GLN 45 -1.716 -8.442 -10.311 347 H TRP 46 HN TRP 46 -3.206 -6.026 -3.542 348 HA TRP 46 HA TRP 46 -0.748 -5.022 -2.858 349 1HB TRP 46 HB2 TRP 46 -2.913 -6.363 -1.209 350 2HB TRP 46 HB1 TRP 46 -1.609 -5.423 -0.490 351 HD1 TRP 46 HD1 TRP 46 -2.450 -3.936 -3.724 352 HE1 TRP 46 HE1 TRP 46 -3.962 -1.872 -3.456 353 HE3 TRP 46 HE3 TRP 46 -3.881 -4.522 1.149 354 HZ2 TRP 46 HZ2 TRP 46 -5.576 -0.625 -1.436 355 HZ3 TRP 46 HZ3 TRP 46 -5.411 -2.882 2.211 356 HH2 TRP 46 HH2 TRP 46 -6.259 -0.937 0.910 357 H ALA 47 HN ALA 47 -1.795 -8.356 -2.734 358 HA ALA 47 HA ALA 47 0.506 -9.281 -1.185 359 1HB ALA 47 HB1 ALA 47 -0.568 -11.422 -1.554 360 2HB ALA 47 HB2 ALA 47 -1.547 -10.741 -2.852 361 3HB ALA 47 HB3 ALA 47 -1.802 -10.220 -1.187 362 H GLN 48 HN GLN 48 -0.187 -8.671 -4.518 363 HA GLN 48 HA GLN 48 2.352 -10.076 -5.279 364 1HB GLN 48 HB2 GLN 48 -0.086 -9.522 -7.014 365 2HB GLN 48 HB1 GLN 48 1.302 -10.533 -7.429 366 1HG GLN 48 HG2 GLN 48 0.720 -12.123 -5.658 367 2HG GLN 48 HG1 GLN 48 -0.614 -11.091 -5.142 368 1HE2 GLN 48 HE21 GLN 48 0.260 -13.631 -7.308 369 2HE2 GLN 48 HE22 GLN 48 -1.174 -13.640 -8.218 370 H HIS 49 HN HIS 49 1.148 -7.206 -4.520 371 HA HIS 49 HA HIS 49 2.096 -5.577 -6.793 372 1HB HIS 49 HB2 HIS 49 -0.020 -5.113 -5.642 373 2HB HIS 49 HB1 HIS 49 0.834 -5.003 -4.100 374 HD1 HIS 49 HD1 HIS 49 -0.666 -2.509 -4.945 375 HD2 HIS 49 HD2 HIS 49 3.285 -3.210 -6.082 376 HE1 HIS 49 HE1 HIS 49 0.337 -0.248 -5.494 377 H ILE 50 HN ILE 50 4.424 -6.498 -6.228 378 HA ILE 50 HA ILE 50 5.849 -5.906 -3.902 379 HB ILE 50 HB ILE 50 6.603 -5.858 -6.829 380 1HG1 ILE 50 HG12 ILE 50 5.723 -7.976 -5.741 381 2HG1 ILE 50 HG11 ILE 50 7.347 -8.117 -6.413 382 1HG2 ILE 50 HG21 ILE 50 8.157 -5.183 -4.423 383 2HG2 ILE 50 HG22 ILE 50 8.517 -4.864 -6.123 384 3HG2 ILE 50 HG23 ILE 50 8.897 -6.437 -5.422 385 1HD1 ILE 50 HD11 ILE 50 7.089 -7.281 -3.554 386 2HD1 ILE 50 HD12 ILE 50 8.340 -8.252 -4.332 387 3HD1 ILE 50 HD13 ILE 50 6.775 -8.971 -3.952 388 H VAL 51 HN VAL 51 6.418 -4.064 -2.945 389 HA VAL 51 HA VAL 51 5.782 -1.439 -4.175 390 HB VAL 51 HB VAL 51 6.871 -2.102 -1.424 391 1HG1 VAL 51 HG11 VAL 51 5.617 0.221 -2.745 392 2HG1 VAL 51 HG12 VAL 51 6.719 0.156 -1.364 393 3HG1 VAL 51 HG13 VAL 51 4.999 -0.161 -1.137 394 1HG2 VAL 51 HG21 VAL 51 3.928 -1.882 -1.913 395 2HG2 VAL 51 HG22 VAL 51 4.790 -2.784 -0.679 396 3HG2 VAL 51 HG23 VAL 51 4.702 -3.408 -2.321 397 H GLN 52 HN GLN 52 7.341 0.159 -4.633 398 HA GLN 52 HA GLN 52 10.148 -0.769 -4.902 399 1HB GLN 52 HB2 GLN 52 8.602 1.668 -5.798 400 2HB GLN 52 HB1 GLN 52 10.311 1.421 -6.149 401 1HG GLN 52 HG2 GLN 52 8.092 -0.483 -6.958 402 2HG GLN 52 HG1 GLN 52 8.834 0.707 -8.027 403 1HE2 GLN 52 HE21 GLN 52 8.923 -2.460 -7.698 404 2HE2 GLN 52 HE22 GLN 52 10.576 -2.790 -7.912 405 H ASP 53 HN ASP 53 11.926 0.354 -4.051 406 HA ASP 53 HA ASP 53 11.666 1.649 -1.534 407 1HB ASP 53 HB2 ASP 53 13.791 0.933 -1.758 408 2HB ASP 53 HB1 ASP 53 13.694 0.978 -3.514 409 H GLY 54 HN GLY 54 10.616 3.452 -1.290 410 1HA GLY 54 HA2 GLY 54 10.560 5.912 -1.530 411 2HA GLY 54 HA1 GLY 54 10.999 5.688 -3.236 412 H ASP 55 HN ASP 55 8.960 3.271 -2.090 413 HA ASP 55 HA ASP 55 6.888 3.465 -3.883 414 1HB ASP 55 HB2 ASP 55 6.975 1.609 -2.463 415 2HB ASP 55 HB1 ASP 55 7.088 2.602 -1.014 416 H GLN 56 HN GLN 56 4.988 4.626 -4.125 417 HA GLN 56 HA GLN 56 4.370 6.746 -2.087 418 1HB GLN 56 HB2 GLN 56 5.046 7.872 -4.082 419 2HB GLN 56 HB1 GLN 56 4.249 6.680 -5.119 420 1HG GLN 56 HG2 GLN 56 2.720 8.401 -5.218 421 2HG GLN 56 HG1 GLN 56 2.075 7.511 -3.850 422 1HE2 GLN 56 HE21 GLN 56 1.352 10.130 -3.851 423 2HE2 GLN 56 HE22 GLN 56 2.263 11.037 -2.751 424 H ILE 57 HN ILE 57 2.194 6.725 -1.358 425 HA ILE 57 HA ILE 57 0.414 4.702 -2.671 426 HB ILE 57 HB ILE 57 1.208 5.021 0.207 427 1HG1 ILE 57 HG12 ILE 57 1.278 2.581 -1.569 428 2HG1 ILE 57 HG11 ILE 57 2.674 3.621 -1.264 429 1HG2 ILE 57 HG21 ILE 57 -1.042 4.579 0.494 430 2HG2 ILE 57 HG22 ILE 57 -0.399 2.941 0.371 431 3HG2 ILE 57 HG23 ILE 57 -1.159 3.699 -1.030 432 1HD1 ILE 57 HD11 ILE 57 2.274 3.265 1.205 433 2HD1 ILE 57 HD12 ILE 57 2.775 1.813 0.331 434 3HD1 ILE 57 HD13 ILE 57 1.081 2.042 0.768 435 H LEU 58 HN LEU 58 -1.748 5.065 -2.530 436 HA LEU 58 HA LEU 58 -2.721 7.562 -1.223 437 1HB LEU 58 HB2 LEU 58 -3.255 6.225 -3.819 438 2HB LEU 58 HB1 LEU 58 -4.560 7.147 -3.084 439 HG LEU 58 HG LEU 58 -2.655 8.965 -2.803 440 1HD1 LEU 58 HD11 LEU 58 -1.737 7.326 -5.187 441 2HD1 LEU 58 HD12 LEU 58 -0.861 7.530 -3.671 442 3HD1 LEU 58 HD13 LEU 58 -1.107 8.910 -4.738 443 1HD2 LEU 58 HD21 LEU 58 -4.362 8.263 -5.168 444 2HD2 LEU 58 HD22 LEU 58 -3.264 9.638 -5.283 445 3HD2 LEU 58 HD23 LEU 58 -4.517 9.612 -4.041 446 H LEU 59 HN LEU 59 -4.695 7.241 0.067 447 HA LEU 59 HA LEU 59 -5.323 4.337 0.459 448 1HB LEU 59 HB2 LEU 59 -4.316 6.025 2.248 449 2HB LEU 59 HB1 LEU 59 -6.020 6.457 2.451 450 HG LEU 59 HG LEU 59 -4.796 3.696 2.730 451 1HD1 LEU 59 HD11 LEU 59 -5.463 3.857 5.036 452 2HD1 LEU 59 HD12 LEU 59 -6.328 5.360 4.739 453 3HD1 LEU 59 HD13 LEU 59 -4.569 5.321 4.643 454 1HD2 LEU 59 HD21 LEU 59 -7.595 4.605 2.306 455 2HD2 LEU 59 HD22 LEU 59 -7.349 3.397 3.566 456 3HD2 LEU 59 HD23 LEU 59 -6.843 3.058 1.912 457 H PHE 60 HN PHE 60 -7.430 3.650 0.244 458 HA PHE 60 HA PHE 60 -9.512 5.715 -0.412 459 1HB PHE 60 HB2 PHE 60 -8.971 2.935 -1.521 460 2HB PHE 60 HB1 PHE 60 -10.383 3.901 -1.942 461 HD1 PHE 60 HD1 PHE 60 -6.660 4.384 -1.703 462 HD2 PHE 60 HD2 PHE 60 -10.253 5.058 -3.947 463 HE1 PHE 60 HE1 PHE 60 -5.348 5.513 -3.466 464 HE2 PHE 60 HE2 PHE 60 -8.937 6.186 -5.718 465 HZ PHE 60 HZ PHE 60 -6.487 6.423 -5.477 466 H GLN 61 HN GLN 61 -11.607 5.309 0.446 467 HA GLN 61 HA GLN 61 -11.706 3.209 2.574 468 1HB GLN 61 HB2 GLN 61 -13.513 5.589 2.054 469 2HB GLN 61 HB1 GLN 61 -13.482 4.592 3.504 470 1HG GLN 61 HG2 GLN 61 -11.205 5.334 4.000 471 2HG GLN 61 HG1 GLN 61 -11.163 6.265 2.501 472 1HE2 GLN 61 HE21 GLN 61 -14.078 6.036 4.510 473 2HE2 GLN 61 HE22 GLN 61 -14.076 7.659 5.012 474 H VAL 62 HN VAL 62 -13.033 1.454 2.232 475 HA VAL 62 HA VAL 62 -15.554 1.559 0.859 476 HB VAL 62 HB VAL 62 -13.718 1.925 -0.954 477 1HG1 VAL 62 HG11 VAL 62 -12.679 -0.108 -1.809 478 2HG1 VAL 62 HG12 VAL 62 -13.491 -1.077 -0.574 479 3HG1 VAL 62 HG13 VAL 62 -12.250 0.088 -0.108 480 1HG2 VAL 62 HG21 VAL 62 -15.963 1.491 -1.645 481 2HG2 VAL 62 HG22 VAL 62 -15.885 -0.185 -1.104 482 3HG2 VAL 62 HG23 VAL 62 -14.969 0.329 -2.524 483 H ILE 63 HN ILE 63 -16.643 -0.205 1.656 484 HA ILE 63 HA ILE 63 -15.023 -2.566 2.554 485 HB ILE 63 HB ILE 63 -17.372 -1.031 3.653 486 1HG1 ILE 63 HG12 ILE 63 -16.167 -1.222 5.729 487 2HG1 ILE 63 HG11 ILE 63 -15.103 -2.463 5.068 488 1HG2 ILE 63 HG21 ILE 63 -18.530 -2.978 3.916 489 2HG2 ILE 63 HG22 ILE 63 -17.373 -3.297 5.209 490 3HG2 ILE 63 HG23 ILE 63 -17.108 -3.969 3.603 491 1HD1 ILE 63 HD11 ILE 63 -13.925 -0.925 3.745 492 2HD1 ILE 63 HD12 ILE 63 -14.238 0.002 5.214 493 3HD1 ILE 63 HD13 ILE 63 -15.236 0.257 3.779 494 H ALA 64 HN ALA 64 -15.263 -3.784 0.610 495 HA ALA 64 HA ALA 64 -18.100 -4.383 -0.146 496 1HB ALA 64 HB1 ALA 64 -16.658 -4.828 -2.403 497 2HB ALA 64 HB2 ALA 64 -15.652 -3.604 -1.625 498 3HB ALA 64 HB3 ALA 64 -17.344 -3.256 -1.985 499 H GLY 65 HN GLY 65 -18.519 -6.430 0.615 500 1HA GLY 65 HA2 GLY 65 -18.278 -8.828 0.096 501 2HA GLY 65 HA1 GLY 65 -16.534 -8.570 -0.030 502 H GLY 66 HN GLY 66 -17.575 -6.749 2.553 503 1HA GLY 66 HA2 GLY 66 -18.211 -8.129 4.740 504 2HA GLY 66 HA1 GLY 66 -16.626 -8.835 4.439 Start of MODEL 3 1 1H MET 1 HT1 MET 1 14.125 1.964 4.486 2 2H MET 1 HT2 MET 1 15.222 2.358 3.249 3 3H MET 1 HT3 MET 1 14.704 0.753 3.453 4 HA MET 1 HA MET 1 13.633 2.159 1.576 5 1HB MET 1 HB2 MET 1 13.032 -0.124 2.760 6 2HB MET 1 HB1 MET 1 11.711 0.840 3.433 7 1HG MET 1 HG2 MET 1 11.482 1.657 0.980 8 2HG MET 1 HG1 MET 1 12.263 0.136 0.604 9 1HE MET 1 HE1 MET 1 9.731 -0.805 -0.769 10 2HE MET 1 HE2 MET 1 10.100 0.908 -0.600 11 3HE MET 1 HE3 MET 1 8.493 0.320 -0.200 12 H GLN 2 HN GLN 2 11.759 3.455 1.214 13 HA GLN 2 HA GLN 2 10.453 4.751 3.518 14 1HB GLN 2 HB2 GLN 2 12.476 6.084 3.062 15 2HB GLN 2 HB1 GLN 2 11.974 6.245 1.377 16 1HG GLN 2 HG2 GLN 2 10.558 7.919 1.878 17 2HG GLN 2 HG1 GLN 2 9.815 6.969 3.161 18 1HE2 GLN 2 HE21 GLN 2 13.147 8.316 2.781 19 2HE2 GLN 2 HE22 GLN 2 13.145 9.126 4.274 20 H ILE 3 HN ILE 3 8.501 5.640 2.971 21 HA ILE 3 HA ILE 3 7.652 5.335 0.169 22 HB ILE 3 HB ILE 3 6.210 3.644 0.715 23 1HG1 ILE 3 HG12 ILE 3 6.038 5.070 3.315 24 2HG1 ILE 3 HG11 ILE 3 4.740 4.465 2.296 25 1HG2 ILE 3 HG21 ILE 3 8.263 3.390 2.947 26 2HG2 ILE 3 HG22 ILE 3 8.546 2.900 1.277 27 3HG2 ILE 3 HG23 ILE 3 7.340 2.061 2.251 28 1HD1 ILE 3 HD11 ILE 3 4.983 3.223 4.466 29 2HD1 ILE 3 HD12 ILE 3 6.582 2.701 3.946 30 3HD1 ILE 3 HD13 ILE 3 5.151 2.187 3.052 31 H LEU 4 HN LEU 4 5.237 5.961 0.089 32 HA LEU 4 HA LEU 4 4.652 8.120 2.050 33 1HB LEU 4 HB2 LEU 4 5.488 9.051 -0.096 34 2HB LEU 4 HB1 LEU 4 4.231 8.155 -0.951 35 HG LEU 4 HG LEU 4 3.713 10.647 -0.336 36 1HD1 LEU 4 HD11 LEU 4 1.618 8.879 0.764 37 2HD1 LEU 4 HD12 LEU 4 2.203 8.458 -0.843 38 3HD1 LEU 4 HD13 LEU 4 1.525 10.059 -0.548 39 1HD2 LEU 4 HD21 LEU 4 2.818 9.515 2.253 40 2HD2 LEU 4 HD22 LEU 4 3.289 11.169 1.854 41 3HD2 LEU 4 HD23 LEU 4 4.517 9.938 2.121 42 H PHE 5 HN PHE 5 2.965 7.212 3.113 43 HA PHE 5 HA PHE 5 0.962 5.693 1.535 44 1HB PHE 5 HB2 PHE 5 2.058 4.594 3.435 45 2HB PHE 5 HB1 PHE 5 1.601 5.919 4.494 46 HD1 PHE 5 HD1 PHE 5 -0.576 6.016 5.490 47 HD2 PHE 5 HD2 PHE 5 0.279 3.165 2.393 48 HE1 PHE 5 HE1 PHE 5 -2.730 4.872 5.950 49 HE2 PHE 5 HE2 PHE 5 -1.875 2.024 2.848 50 HZ PHE 5 HZ PHE 5 -3.379 2.876 4.626 51 H ASN 6 HN ASN 6 -0.452 7.323 0.754 52 HA ASN 6 HA ASN 6 -2.092 8.985 0.880 53 1HB ASN 6 HB2 ASN 6 -2.725 7.176 2.648 54 2HB ASN 6 HB1 ASN 6 -2.159 8.350 3.832 55 1HD2 ASN 6 HD21 ASN 6 -3.409 10.178 1.308 56 2HD2 ASN 6 HD22 ASN 6 -4.996 10.360 1.876 57 H ASP 7 HN ASP 7 0.234 9.997 0.715 58 HA ASP 7 HA ASP 7 1.596 11.860 1.091 59 1HB ASP 7 HB2 ASP 7 -0.696 12.830 2.770 60 2HB ASP 7 HB1 ASP 7 0.459 13.786 1.842 61 H GLN 8 HN GLN 8 1.255 9.575 3.185 62 HA GLN 8 HA GLN 8 2.512 11.065 5.479 63 1HB GLN 8 HB2 GLN 8 1.305 8.277 5.357 64 2HB GLN 8 HB1 GLN 8 1.801 9.145 6.813 65 1HG GLN 8 HG2 GLN 8 0.061 10.864 5.373 66 2HG GLN 8 HG1 GLN 8 -0.710 9.279 5.430 67 1HE2 GLN 8 HE21 GLN 8 0.093 12.093 7.307 68 2HE2 GLN 8 HE22 GLN 8 -0.500 11.527 8.794 69 H ALA 9 HN ALA 9 4.724 10.907 5.320 70 HA ALA 9 HA ALA 9 5.998 8.961 3.603 71 1HB ALA 9 HB1 ALA 9 7.093 10.806 5.738 72 2HB ALA 9 HB2 ALA 9 6.849 11.220 4.042 73 3HB ALA 9 HB3 ALA 9 8.048 10.007 4.489 74 H MET 10 HN MET 10 7.297 7.207 4.187 75 HA MET 10 HA MET 10 7.154 6.250 7.034 76 1HB MET 10 HB2 MET 10 5.455 5.417 5.053 77 2HB MET 10 HB1 MET 10 6.783 4.273 4.912 78 1HG MET 10 HG2 MET 10 5.498 3.195 6.467 79 2HG MET 10 HG1 MET 10 6.559 4.131 7.513 80 1HE MET 10 HE1 MET 10 2.961 5.410 5.576 81 2HE MET 10 HE2 MET 10 2.230 4.238 6.668 82 3HE MET 10 HE3 MET 10 3.565 3.751 5.621 83 H GLN 11 HN GLN 11 8.281 4.006 7.053 84 HA GLN 11 HA GLN 11 10.452 3.660 5.124 85 1HB GLN 11 HB2 GLN 11 11.379 3.477 7.895 86 2HB GLN 11 HB1 GLN 11 12.198 4.132 6.491 87 1HG GLN 11 HG2 GLN 11 10.894 6.205 6.659 88 2HG GLN 11 HG1 GLN 11 10.022 5.556 8.049 89 1HE2 GLN 11 HE21 GLN 11 10.856 7.079 9.613 90 2HE2 GLN 11 HE22 GLN 11 12.495 7.119 10.054 91 H CYS 12 HN CYS 12 10.336 1.596 4.711 92 HA CYS 12 HA CYS 12 9.963 -0.418 6.862 93 1HB CYS 12 HB2 CYS 12 8.033 -1.361 5.600 94 2HB CYS 12 HB1 CYS 12 7.727 0.262 6.192 95 HG CYS 12 HG CYS 12 7.973 1.198 3.832 96 H ALA 13 HN ALA 13 9.343 -2.447 4.868 97 HA ALA 13 HA ALA 13 12.078 -3.003 4.070 98 1HB ALA 13 HB1 ALA 13 11.197 -4.935 4.871 99 2HB ALA 13 HB2 ALA 13 10.534 -5.107 3.246 100 3HB ALA 13 HB3 ALA 13 9.549 -4.411 4.533 101 H ALA 14 HN ALA 14 12.816 -2.257 2.151 102 HA ALA 14 HA ALA 14 11.202 -1.609 -0.143 103 1HB ALA 14 HB1 ALA 14 14.047 -2.497 -0.364 104 2HB ALA 14 HB2 ALA 14 13.690 -1.057 0.589 105 3HB ALA 14 HB3 ALA 14 13.251 -1.117 -1.118 106 H GLY 15 HN GLY 15 10.701 -2.859 -1.938 107 1HA GLY 15 HA2 GLY 15 10.689 -4.728 -3.382 108 2HA GLY 15 HA1 GLY 15 11.839 -5.506 -2.305 109 H GLN 16 HN GLN 16 9.589 -4.443 -0.251 110 HA GLN 16 HA GLN 16 8.319 -7.077 -0.019 111 1HB GLN 16 HB2 GLN 16 8.115 -6.390 2.136 112 2HB GLN 16 HB1 GLN 16 9.183 -5.078 1.652 113 1HG GLN 16 HG2 GLN 16 7.148 -3.741 1.026 114 2HG GLN 16 HG1 GLN 16 6.152 -5.022 1.716 115 1HE2 GLN 16 HE21 GLN 16 7.793 -2.142 2.434 116 2HE2 GLN 16 HE22 GLN 16 7.740 -2.258 4.119 117 H THR 17 HN THR 17 6.155 -7.490 -0.784 118 HA THR 17 HA THR 17 4.873 -5.698 -2.549 119 HB THR 17 HB THR 17 3.088 -7.183 -2.526 120 HG1 THR 17 HG1 THR 17 3.026 -8.584 -0.430 121 1HG2 THR 17 HG21 THR 17 5.303 -8.366 -2.899 122 2HG2 THR 17 HG22 THR 17 3.933 -9.382 -2.449 123 3HG2 THR 17 HG23 THR 17 5.144 -8.953 -1.243 124 H VAL 18 HN VAL 18 2.345 -5.472 -1.868 125 HA VAL 18 HA VAL 18 2.141 -3.185 -0.056 126 HB VAL 18 HB VAL 18 0.190 -5.003 -1.383 127 1HG1 VAL 18 HG11 VAL 18 -1.287 -3.810 -0.237 128 2HG1 VAL 18 HG12 VAL 18 -0.895 -2.495 -1.347 129 3HG1 VAL 18 HG13 VAL 18 -0.075 -2.610 0.212 130 1HG2 VAL 18 HG21 VAL 18 1.746 -4.171 -3.002 131 2HG2 VAL 18 HG22 VAL 18 1.597 -2.540 -2.355 132 3HG2 VAL 18 HG23 VAL 18 0.235 -3.283 -3.196 133 H HIS 19 HN HIS 19 0.691 -6.440 -0.293 134 HA HIS 19 HA HIS 19 -0.549 -6.593 2.240 135 1HB HIS 19 HB2 HIS 19 -0.492 -8.215 0.236 136 2HB HIS 19 HB1 HIS 19 1.101 -8.705 0.802 137 HD1 HIS 19 HD1 HIS 19 -2.135 -9.958 0.951 138 HD2 HIS 19 HD2 HIS 19 0.679 -9.208 3.929 139 HE1 HIS 19 HE1 HIS 19 -2.800 -11.379 2.937 140 H GLU 20 HN GLU 20 2.717 -6.632 1.086 141 HA GLU 20 HA GLU 20 3.898 -7.450 3.696 142 1HB GLU 20 HB2 GLU 20 4.941 -6.580 0.989 143 2HB GLU 20 HB1 GLU 20 6.021 -6.850 2.356 144 1HG GLU 20 HG2 GLU 20 4.364 -9.097 2.346 145 2HG GLU 20 HG1 GLU 20 4.700 -8.800 0.640 146 H LEU 21 HN LEU 21 3.379 -4.538 1.747 147 HA LEU 21 HA LEU 21 4.879 -2.751 3.472 148 1HB LEU 21 HB2 LEU 21 4.043 -2.591 1.010 149 2HB LEU 21 HB1 LEU 21 2.515 -2.077 1.707 150 HG LEU 21 HG LEU 21 4.104 -0.216 1.024 151 1HD1 LEU 21 HD11 LEU 21 3.570 1.121 2.983 152 2HD1 LEU 21 HD12 LEU 21 3.340 -0.336 3.946 153 3HD1 LEU 21 HD13 LEU 21 2.222 0.040 2.640 154 1HD2 LEU 21 HD21 LEU 21 5.556 -0.867 3.577 155 2HD2 LEU 21 HD22 LEU 21 6.062 0.176 2.248 156 3HD2 LEU 21 HD23 LEU 21 6.077 -1.575 2.047 157 H LEU 22 HN LEU 22 1.377 -3.050 2.930 158 HA LEU 22 HA LEU 22 0.400 -1.506 5.036 159 1HB LEU 22 HB2 LEU 22 -0.458 -4.002 3.585 160 2HB LEU 22 HB1 LEU 22 -1.484 -3.321 4.852 161 HG LEU 22 HG LEU 22 -0.392 -1.634 2.610 162 1HD1 LEU 22 HD11 LEU 22 -2.124 -3.773 2.252 163 2HD1 LEU 22 HD12 LEU 22 -1.991 -2.374 1.186 164 3HD1 LEU 22 HD13 LEU 22 -3.210 -2.399 2.460 165 1HD2 LEU 22 HD21 LEU 22 -2.124 -0.132 3.328 166 2HD2 LEU 22 HD22 LEU 22 -1.261 -0.665 4.771 167 3HD2 LEU 22 HD23 LEU 22 -2.830 -1.366 4.376 168 H GLU 23 HN GLU 23 0.853 -5.028 5.075 169 HA GLU 23 HA GLU 23 0.269 -5.505 7.793 170 1HB GLU 23 HB2 GLU 23 0.684 -7.172 5.982 171 2HB GLU 23 HB1 GLU 23 2.402 -6.783 6.058 172 1HG GLU 23 HG2 GLU 23 0.866 -7.684 8.494 173 2HG GLU 23 HG1 GLU 23 1.627 -8.836 7.396 174 H GLN 24 HN GLN 24 3.357 -4.488 6.286 175 HA GLN 24 HA GLN 24 4.875 -4.581 8.743 176 1HB GLN 24 HB2 GLN 24 5.778 -4.557 6.406 177 2HB GLN 24 HB1 GLN 24 5.230 -2.886 6.247 178 1HG GLN 24 HG2 GLN 24 7.521 -2.730 6.877 179 2HG GLN 24 HG1 GLN 24 6.611 -2.399 8.351 180 1HE2 GLN 24 HE21 GLN 24 9.298 -3.993 7.442 181 2HE2 GLN 24 HE22 GLN 24 9.256 -5.317 8.503 182 H LEU 25 HN LEU 25 3.001 -2.060 7.063 183 HA LEU 25 HA LEU 25 3.610 0.048 8.943 184 1HB LEU 25 HB2 LEU 25 1.351 -0.422 6.966 185 2HB LEU 25 HB1 LEU 25 1.720 1.127 7.724 186 HG LEU 25 HG LEU 25 3.361 -0.420 5.733 187 1HD1 LEU 25 HD11 LEU 25 3.489 1.923 4.734 188 2HD1 LEU 25 HD12 LEU 25 2.268 2.384 5.920 189 3HD1 LEU 25 HD13 LEU 25 1.903 1.157 4.707 190 1HD2 LEU 25 HD21 LEU 25 4.283 1.614 7.747 191 2HD2 LEU 25 HD22 LEU 25 5.100 1.438 6.194 192 3HD2 LEU 25 HD23 LEU 25 5.031 0.078 7.310 193 H ASP 26 HN ASP 26 1.466 -2.647 8.813 194 HA ASP 26 HA ASP 26 0.467 -3.618 10.809 195 1HB ASP 26 HB2 ASP 26 1.313 -1.661 12.137 196 2HB ASP 26 HB1 ASP 26 -0.076 -0.743 11.559 197 H GLN 27 HN GLN 27 -0.473 -2.562 8.109 198 HA GLN 27 HA GLN 27 -3.380 -2.207 8.736 199 1HB GLN 27 HB2 GLN 27 -2.003 -1.910 6.066 200 2HB GLN 27 HB1 GLN 27 -3.488 -1.138 6.618 201 1HG GLN 27 HG2 GLN 27 -1.454 -0.417 8.466 202 2HG GLN 27 HG1 GLN 27 -0.782 -0.186 6.852 203 1HE2 GLN 27 HE21 GLN 27 -3.452 0.405 5.624 204 2HE2 GLN 27 HE22 GLN 27 -3.876 1.954 6.170 205 H ARG 28 HN ARG 28 -4.790 -3.884 8.210 206 HA ARG 28 HA ARG 28 -3.584 -6.300 6.969 207 1HB ARG 28 HB2 ARG 28 -6.113 -5.742 8.539 208 2HB ARG 28 HB1 ARG 28 -5.687 -7.337 7.915 209 1HG ARG 28 HG2 ARG 28 -4.814 -7.393 10.088 210 2HG ARG 28 HG1 ARG 28 -3.414 -6.933 9.120 211 1HD ARG 28 HD2 ARG 28 -3.433 -4.736 9.880 212 2HD ARG 28 HD1 ARG 28 -5.174 -4.764 10.224 213 HE ARG 28 HE ARG 28 -4.636 -5.583 12.366 214 1HH1 ARG 28 HH21 ARG 28 -1.961 -5.874 10.233 215 2HH1 ARG 28 HH22 ARG 28 -1.019 -6.836 11.322 216 1HH2 ARG 28 HH11 ARG 28 -3.509 -7.028 13.730 217 2HH2 ARG 28 HH12 ARG 28 -1.895 -7.490 13.302 218 H GLN 29 HN GLN 29 -5.613 -3.706 6.144 219 HA GLN 29 HA GLN 29 -6.626 -3.193 4.085 220 1HB GLN 29 HB2 GLN 29 -5.974 -6.017 3.274 221 2HB GLN 29 HB1 GLN 29 -6.136 -4.595 2.254 222 1HG GLN 29 HG2 GLN 29 -3.964 -4.129 2.491 223 2HG GLN 29 HG1 GLN 29 -4.122 -4.087 4.235 224 1HE2 GLN 29 HE21 GLN 29 -4.000 -6.567 1.608 225 2HE2 GLN 29 HE22 GLN 29 -3.017 -7.644 2.476 226 H ALA 30 HN ALA 30 -8.198 -3.958 6.220 227 HA ALA 30 HA ALA 30 -9.990 -6.060 6.089 228 1HB ALA 30 HB1 ALA 30 -11.538 -4.449 7.118 229 2HB ALA 30 HB2 ALA 30 -10.608 -3.108 6.452 230 3HB ALA 30 HB3 ALA 30 -9.896 -4.139 7.691 231 H GLY 31 HN GLY 31 -9.658 -3.363 3.882 232 1HA GLY 31 HA2 GLY 31 -10.911 -4.529 1.667 233 2HA GLY 31 HA1 GLY 31 -12.175 -3.631 2.516 234 H ALA 32 HN ALA 32 -8.744 -2.796 2.330 235 HA ALA 32 HA ALA 32 -9.500 -0.092 1.379 236 1HB ALA 32 HB1 ALA 32 -7.071 0.302 2.003 237 2HB ALA 32 HB2 ALA 32 -7.005 -1.388 2.497 238 3HB ALA 32 HB3 ALA 32 -8.092 -0.272 3.322 239 H ALA 33 HN ALA 33 -8.371 0.950 -0.321 240 HA ALA 33 HA ALA 33 -6.975 -0.850 -2.284 241 1HB ALA 33 HB1 ALA 33 -8.241 1.372 -3.590 242 2HB ALA 33 HB2 ALA 33 -9.437 0.598 -2.550 243 3HB ALA 33 HB3 ALA 33 -8.600 -0.343 -3.784 244 H LEU 34 HN LEU 34 -5.328 0.381 -3.568 245 HA LEU 34 HA LEU 34 -4.647 3.044 -2.446 246 1HB LEU 34 HB2 LEU 34 -3.176 2.108 -1.021 247 2HB LEU 34 HB1 LEU 34 -3.561 0.511 -1.642 248 HG LEU 34 HG LEU 34 -1.576 2.374 -2.977 249 1HD1 LEU 34 HD11 LEU 34 -1.225 1.193 -0.507 250 2HD1 LEU 34 HD12 LEU 34 0.078 1.620 -1.612 251 3HD1 LEU 34 HD13 LEU 34 -0.559 -0.020 -1.599 252 1HD2 LEU 34 HD21 LEU 34 -2.751 -0.222 -3.607 253 2HD2 LEU 34 HD22 LEU 34 -0.991 -0.304 -3.523 254 3HD2 LEU 34 HD23 LEU 34 -1.774 0.833 -4.623 255 H ALA 35 HN ALA 35 -3.108 4.216 -3.784 256 HA ALA 35 HA ALA 35 -2.621 2.935 -6.455 257 1HB ALA 35 HB1 ALA 35 -2.706 5.863 -6.381 258 2HB ALA 35 HB2 ALA 35 -4.217 5.132 -5.836 259 3HB ALA 35 HB3 ALA 35 -3.578 4.751 -7.434 260 H ILE 36 HN ILE 36 -0.469 2.515 -6.554 261 HA ILE 36 HA ILE 36 1.407 4.270 -5.042 262 HB ILE 36 HB ILE 36 1.978 1.738 -6.617 263 1HG1 ILE 36 HG12 ILE 36 1.215 2.101 -3.696 264 2HG1 ILE 36 HG11 ILE 36 0.290 1.229 -4.919 265 1HG2 ILE 36 HG21 ILE 36 4.085 1.851 -5.718 266 2HG2 ILE 36 HG22 ILE 36 3.504 2.524 -4.195 267 3HG2 ILE 36 HG23 ILE 36 3.713 3.572 -5.597 268 1HD1 ILE 36 HD11 ILE 36 2.858 0.116 -5.048 269 2HD1 ILE 36 HD12 ILE 36 1.430 -0.626 -4.326 270 3HD1 ILE 36 HD13 ILE 36 2.541 0.309 -3.325 271 H ASN 37 HN ASN 37 2.722 5.731 -6.072 272 HA ASN 37 HA ASN 37 3.695 6.955 -7.834 273 1HB ASN 37 HB2 ASN 37 3.466 4.178 -9.042 274 2HB ASN 37 HB1 ASN 37 4.340 5.498 -9.810 275 1HD2 ASN 37 HD21 ASN 37 4.686 2.921 -7.622 276 2HD2 ASN 37 HD22 ASN 37 6.146 3.409 -6.906 277 H GLN 38 HN GLN 38 0.652 6.346 -7.619 278 HA GLN 38 HA GLN 38 -1.157 7.484 -8.673 279 1HB GLN 38 HB2 GLN 38 -0.765 8.802 -10.512 280 2HB GLN 38 HB1 GLN 38 0.910 8.536 -10.045 281 1HG GLN 38 HG2 GLN 38 0.997 7.981 -12.299 282 2HG GLN 38 HG1 GLN 38 0.674 6.400 -11.589 283 1HE2 GLN 38 HE21 GLN 38 -0.796 5.359 -12.939 284 2HE2 GLN 38 HE22 GLN 38 -2.197 6.070 -13.583 285 H GLN 39 HN GLN 39 0.137 4.528 -9.126 286 HA GLN 39 HA GLN 39 -1.863 3.690 -11.175 287 1HB GLN 39 HB2 GLN 39 -0.580 1.662 -11.301 288 2HB GLN 39 HB1 GLN 39 0.600 2.968 -11.195 289 1HG GLN 39 HG2 GLN 39 0.255 2.469 -8.568 290 2HG GLN 39 HG1 GLN 39 -0.091 0.870 -9.211 291 1HE2 GLN 39 HE21 GLN 39 1.718 1.302 -11.565 292 2HE2 GLN 39 HE22 GLN 39 3.295 1.150 -10.957 293 H ILE 40 HN ILE 40 -3.868 3.381 -10.197 294 HA ILE 40 HA ILE 40 -4.088 2.568 -7.411 295 HB ILE 40 HB ILE 40 -5.932 3.004 -9.757 296 1HG1 ILE 40 HG12 ILE 40 -7.040 4.376 -7.795 297 2HG1 ILE 40 HG11 ILE 40 -5.460 4.180 -7.035 298 1HG2 ILE 40 HG21 ILE 40 -7.815 2.407 -8.051 299 2HG2 ILE 40 HG22 ILE 40 -6.565 1.466 -7.240 300 3HG2 ILE 40 HG23 ILE 40 -7.009 1.087 -8.903 301 1HD1 ILE 40 HD11 ILE 40 -4.543 4.982 -9.357 302 2HD1 ILE 40 HD12 ILE 40 -5.180 6.172 -8.222 303 3HD1 ILE 40 HD13 ILE 40 -6.173 5.623 -9.571 304 H VAL 41 HN VAL 41 -3.373 0.512 -6.909 305 HA VAL 41 HA VAL 41 -3.813 -1.704 -8.845 306 HB VAL 41 HB VAL 41 -2.426 -1.576 -6.166 307 1HG1 VAL 41 HG11 VAL 41 -1.565 -3.730 -6.677 308 2HG1 VAL 41 HG12 VAL 41 -2.070 -3.619 -8.363 309 3HG1 VAL 41 HG13 VAL 41 -3.276 -3.815 -7.091 310 1HG2 VAL 41 HG21 VAL 41 -0.631 -1.911 -8.351 311 2HG2 VAL 41 HG22 VAL 41 -0.766 -0.513 -7.282 312 3HG2 VAL 41 HG23 VAL 41 -1.707 -0.580 -8.772 313 HA PRO 42 HA PRO 42 -7.149 -3.130 -6.458 314 1HB PRO 42 HB2 PRO 42 -7.157 -5.719 -7.279 315 2HB PRO 42 HB1 PRO 42 -7.802 -4.365 -8.209 316 1HG PRO 42 HG2 PRO 42 -5.263 -5.849 -8.536 317 2HG PRO 42 HG1 PRO 42 -6.296 -5.107 -9.767 318 1HD PRO 42 HD2 PRO 42 -3.957 -4.012 -8.809 319 2HD PRO 42 HD1 PRO 42 -5.256 -3.094 -9.595 320 H ARG 43 HN ARG 43 -7.071 -3.543 -4.500 321 HA ARG 43 HA ARG 43 -5.304 -4.141 -2.626 322 1HB ARG 43 HB2 ARG 43 -7.150 -5.653 -1.576 323 2HB ARG 43 HB1 ARG 43 -7.510 -3.963 -1.911 324 1HG ARG 43 HG2 ARG 43 -9.199 -4.595 -3.249 325 2HG ARG 43 HG1 ARG 43 -8.067 -5.472 -4.273 326 1HD ARG 43 HD2 ARG 43 -8.978 -7.407 -3.560 327 2HD ARG 43 HD1 ARG 43 -8.420 -7.028 -1.918 328 HE ARG 43 HE ARG 43 -10.835 -5.570 -2.704 329 1HH1 ARG 43 HH21 ARG 43 -10.594 -8.816 -2.571 330 2HH1 ARG 43 HH22 ARG 43 -11.516 -9.051 -1.122 331 1HH2 ARG 43 HH11 ARG 43 -11.546 -5.684 -0.280 332 2HH2 ARG 43 HH12 ARG 43 -12.056 -7.275 0.175 333 H GLU 44 HN GLU 44 -6.972 -6.928 -4.087 334 HA GLU 44 HA GLU 44 -5.589 -8.989 -2.952 335 1HB GLU 44 HB2 GLU 44 -7.417 -9.361 -4.371 336 2HB GLU 44 HB1 GLU 44 -6.657 -8.503 -5.712 337 1HG GLU 44 HG2 GLU 44 -5.050 -10.758 -4.733 338 2HG GLU 44 HG1 GLU 44 -6.625 -11.253 -5.356 339 H GLN 45 HN GLN 45 -4.458 -7.167 -5.823 340 HA GLN 45 HA GLN 45 -2.103 -8.683 -6.311 341 1HB GLN 45 HB2 GLN 45 -2.922 -5.808 -6.724 342 2HB GLN 45 HB1 GLN 45 -1.298 -6.339 -7.164 343 1HG GLN 45 HG2 GLN 45 -3.409 -8.148 -8.105 344 2HG GLN 45 HG1 GLN 45 -3.514 -6.525 -8.792 345 1HE2 GLN 45 HE21 GLN 45 -1.880 -5.876 -10.288 346 2HE2 GLN 45 HE22 GLN 45 -0.623 -6.903 -10.788 347 H TRP 46 HN TRP 46 -2.800 -6.253 -3.870 348 HA TRP 46 HA TRP 46 -0.376 -5.359 -2.980 349 1HB TRP 46 HB2 TRP 46 -2.722 -6.538 -1.471 350 2HB TRP 46 HB1 TRP 46 -1.441 -5.623 -0.689 351 HD1 TRP 46 HD1 TRP 46 -2.105 -4.261 -4.062 352 HE1 TRP 46 HE1 TRP 46 -3.514 -2.107 -3.888 353 HE3 TRP 46 HE3 TRP 46 -3.593 -4.581 0.796 354 HZ2 TRP 46 HZ2 TRP 46 -5.070 -0.726 -1.926 355 HZ3 TRP 46 HZ3 TRP 46 -5.050 -2.831 1.794 356 HH2 TRP 46 HH2 TRP 46 -5.788 -0.903 0.429 357 H ALA 47 HN ALA 47 -1.586 -8.633 -2.803 358 HA ALA 47 HA ALA 47 0.442 -9.579 -0.944 359 1HB ALA 47 HB1 ALA 47 -1.992 -10.331 -1.622 360 2HB ALA 47 HB2 ALA 47 -0.798 -11.524 -1.107 361 3HB ALA 47 HB3 ALA 47 -1.122 -11.287 -2.826 362 H GLN 48 HN GLN 48 0.284 -9.058 -4.365 363 HA GLN 48 HA GLN 48 2.891 -10.498 -4.664 364 1HB GLN 48 HB2 GLN 48 2.111 -11.165 -6.915 365 2HB GLN 48 HB1 GLN 48 0.993 -11.744 -5.680 366 1HG GLN 48 HG2 GLN 48 -0.490 -9.830 -6.100 367 2HG GLN 48 HG1 GLN 48 0.637 -9.212 -7.312 368 1HE2 GLN 48 HE21 GLN 48 1.149 -10.892 -9.140 369 2HE2 GLN 48 HE22 GLN 48 -0.157 -11.827 -9.690 370 H HIS 49 HN HIS 49 1.795 -7.622 -4.257 371 HA HIS 49 HA HIS 49 2.905 -6.302 -6.683 372 1HB HIS 49 HB2 HIS 49 0.631 -5.770 -5.939 373 2HB HIS 49 HB1 HIS 49 1.246 -5.343 -4.343 374 HD1 HIS 49 HD1 HIS 49 -0.112 -3.047 -5.574 375 HD2 HIS 49 HD2 HIS 49 3.851 -3.909 -6.523 376 HE1 HIS 49 HE1 HIS 49 0.880 -0.913 -6.509 377 H ILE 50 HN ILE 50 5.145 -6.842 -5.910 378 HA ILE 50 HA ILE 50 6.353 -6.118 -3.515 379 HB ILE 50 HB ILE 50 7.327 -6.079 -6.382 380 1HG1 ILE 50 HG12 ILE 50 6.471 -8.224 -5.370 381 2HG1 ILE 50 HG11 ILE 50 8.165 -8.285 -5.859 382 1HG2 ILE 50 HG21 ILE 50 9.526 -6.556 -4.783 383 2HG2 ILE 50 HG22 ILE 50 8.666 -5.308 -3.884 384 3HG2 ILE 50 HG23 ILE 50 9.148 -5.012 -5.553 385 1HD1 ILE 50 HD11 ILE 50 8.930 -8.356 -3.690 386 2HD1 ILE 50 HD12 ILE 50 7.356 -9.107 -3.438 387 3HD1 ILE 50 HD13 ILE 50 7.584 -7.399 -3.072 388 H VAL 51 HN VAL 51 6.790 -4.272 -2.557 389 HA VAL 51 HA VAL 51 6.268 -1.654 -3.873 390 HB VAL 51 HB VAL 51 6.902 -2.410 -0.999 391 1HG1 VAL 51 HG11 VAL 51 6.079 -0.322 -0.416 392 2HG1 VAL 51 HG12 VAL 51 5.118 -0.180 -1.889 393 3HG1 VAL 51 HG13 VAL 51 6.867 0.041 -1.947 394 1HG2 VAL 51 HG21 VAL 51 4.957 -3.676 -2.097 395 2HG2 VAL 51 HG22 VAL 51 4.153 -2.116 -2.235 396 3HG2 VAL 51 HG23 VAL 51 4.566 -2.760 -0.651 397 H GLN 52 HN GLN 52 7.926 -0.055 -4.014 398 HA GLN 52 HA GLN 52 10.711 -1.102 -3.692 399 1HB GLN 52 HB2 GLN 52 9.528 1.166 -5.290 400 2HB GLN 52 HB1 GLN 52 11.208 0.636 -5.360 401 1HG GLN 52 HG2 GLN 52 10.438 -0.655 -7.104 402 2HG GLN 52 HG1 GLN 52 9.948 -1.737 -5.799 403 1HE2 GLN 52 HE21 GLN 52 7.800 -2.375 -5.988 404 2HE2 GLN 52 HE22 GLN 52 6.555 -1.434 -6.656 405 H ASP 53 HN ASP 53 12.329 0.204 -2.804 406 HA ASP 53 HA ASP 53 11.699 1.854 -0.616 407 1HB ASP 53 HB2 ASP 53 13.822 0.796 -0.817 408 2HB ASP 53 HB1 ASP 53 14.132 1.614 -2.349 409 H GLY 54 HN GLY 54 10.705 3.617 -0.647 410 1HA GLY 54 HA2 GLY 54 10.632 6.030 -1.073 411 2HA GLY 54 HA1 GLY 54 11.328 5.720 -2.675 412 H ASP 55 HN ASP 55 9.126 3.396 -1.586 413 HA ASP 55 HA ASP 55 7.355 3.618 -3.764 414 1HB ASP 55 HB2 ASP 55 7.628 1.629 -2.438 415 2HB ASP 55 HB1 ASP 55 7.006 2.451 -1.005 416 H GLN 56 HN GLN 56 5.650 4.916 -4.179 417 HA GLN 56 HA GLN 56 4.574 6.690 -2.022 418 1HB GLN 56 HB2 GLN 56 5.236 7.949 -3.910 419 2HB GLN 56 HB1 GLN 56 4.704 6.702 -5.039 420 1HG GLN 56 HG2 GLN 56 2.500 7.331 -4.917 421 2HG GLN 56 HG1 GLN 56 2.643 7.935 -3.274 422 1HE2 GLN 56 HE21 GLN 56 1.536 9.945 -4.102 423 2HE2 GLN 56 HE22 GLN 56 2.457 11.116 -4.914 424 H ILE 57 HN ILE 57 2.271 6.662 -1.617 425 HA ILE 57 HA ILE 57 0.762 4.484 -3.015 426 HB ILE 57 HB ILE 57 1.152 4.965 -0.071 427 1HG1 ILE 57 HG12 ILE 57 1.673 2.503 -1.744 428 2HG1 ILE 57 HG11 ILE 57 2.911 3.686 -1.321 429 1HG2 ILE 57 HG21 ILE 57 -1.107 4.384 -0.159 430 2HG2 ILE 57 HG22 ILE 57 -0.328 2.811 0.012 431 3HG2 ILE 57 HG23 ILE 57 -0.885 3.355 -1.570 432 1HD1 ILE 57 HD11 ILE 57 1.255 2.033 0.606 433 2HD1 ILE 57 HD12 ILE 57 2.341 3.334 1.093 434 3HD1 ILE 57 HD13 ILE 57 2.991 1.891 0.312 435 H LEU 58 HN LEU 58 -1.459 4.813 -3.152 436 HA LEU 58 HA LEU 58 -2.497 7.415 -2.115 437 1HB LEU 58 HB2 LEU 58 -2.472 6.568 -4.673 438 2HB LEU 58 HB1 LEU 58 -3.954 5.783 -4.141 439 HG LEU 58 HG LEU 58 -3.484 8.681 -3.514 440 1HD1 LEU 58 HD11 LEU 58 -5.071 7.988 -5.931 441 2HD1 LEU 58 HD12 LEU 58 -3.316 7.886 -6.083 442 3HD1 LEU 58 HD13 LEU 58 -4.073 9.406 -5.604 443 1HD2 LEU 58 HD21 LEU 58 -5.357 7.634 -2.399 444 2HD2 LEU 58 HD22 LEU 58 -5.913 6.908 -3.908 445 3HD2 LEU 58 HD23 LEU 58 -6.007 8.654 -3.682 446 H LEU 59 HN LEU 59 -4.504 7.194 -0.797 447 HA LEU 59 HA LEU 59 -4.880 4.349 0.080 448 1HB LEU 59 HB2 LEU 59 -3.878 6.085 1.621 449 2HB LEU 59 HB1 LEU 59 -5.416 6.940 1.569 450 HG LEU 59 HG LEU 59 -4.977 5.309 3.543 451 1HD1 LEU 59 HD11 LEU 59 -7.238 6.302 2.486 452 2HD1 LEU 59 HD12 LEU 59 -7.246 5.179 3.843 453 3HD1 LEU 59 HD13 LEU 59 -7.537 4.583 2.211 454 1HD2 LEU 59 HD21 LEU 59 -6.098 3.194 1.763 455 2HD2 LEU 59 HD22 LEU 59 -5.074 3.038 3.189 456 3HD2 LEU 59 HD23 LEU 59 -4.365 3.511 1.646 457 H PHE 60 HN PHE 60 -6.810 3.436 -0.206 458 HA PHE 60 HA PHE 60 -9.205 5.154 -0.769 459 1HB PHE 60 HB2 PHE 60 -8.468 2.307 -1.551 460 2HB PHE 60 HB1 PHE 60 -10.025 3.050 -1.903 461 HD1 PHE 60 HD1 PHE 60 -10.293 4.047 -3.979 462 HD2 PHE 60 HD2 PHE 60 -6.364 3.814 -2.270 463 HE1 PHE 60 HE1 PHE 60 -9.340 5.056 -6.035 464 HE2 PHE 60 HE2 PHE 60 -5.417 4.809 -4.323 465 HZ PHE 60 HZ PHE 60 -6.896 5.437 -6.205 466 H GLN 61 HN GLN 61 -10.989 4.813 0.618 467 HA GLN 61 HA GLN 61 -10.430 3.244 3.049 468 1HB GLN 61 HB2 GLN 61 -12.082 4.582 4.003 469 2HB GLN 61 HB1 GLN 61 -11.494 5.635 2.720 470 1HG GLN 61 HG2 GLN 61 -13.973 3.893 2.665 471 2HG GLN 61 HG1 GLN 61 -13.907 5.655 2.639 472 1HE2 GLN 61 HE21 GLN 61 -14.879 3.529 0.574 473 2HE2 GLN 61 HE22 GLN 61 -14.117 4.008 -0.866 474 H VAL 62 HN VAL 62 -11.912 1.681 3.888 475 HA VAL 62 HA VAL 62 -12.666 -0.372 2.135 476 HB VAL 62 HB VAL 62 -12.262 -0.444 4.604 477 1HG1 VAL 62 HG11 VAL 62 -14.016 1.596 4.775 478 2HG1 VAL 62 HG12 VAL 62 -13.697 0.503 6.124 479 3HG1 VAL 62 HG13 VAL 62 -15.113 0.257 5.099 480 1HG2 VAL 62 HG21 VAL 62 -14.638 -1.815 4.888 481 2HG2 VAL 62 HG22 VAL 62 -13.176 -2.471 4.153 482 3HG2 VAL 62 HG23 VAL 62 -14.437 -1.775 3.137 483 H ILE 63 HN ILE 63 -14.628 -1.000 1.205 484 HA ILE 63 HA ILE 63 -16.821 1.041 1.239 485 HB ILE 63 HB ILE 63 -17.270 0.111 -1.100 486 1HG1 ILE 63 HG12 ILE 63 -15.752 -1.948 -0.578 487 2HG1 ILE 63 HG11 ILE 63 -15.677 -1.236 -2.188 488 1HG2 ILE 63 HG21 ILE 63 -16.242 2.280 -0.826 489 2HG2 ILE 63 HG22 ILE 63 -15.389 1.427 -2.113 490 3HG2 ILE 63 HG23 ILE 63 -14.671 1.545 -0.506 491 1HD1 ILE 63 HD11 ILE 63 -13.530 -1.627 -0.401 492 2HD1 ILE 63 HD12 ILE 63 -13.819 0.112 -0.427 493 3HD1 ILE 63 HD13 ILE 63 -13.495 -0.751 -1.930 494 H ALA 64 HN ALA 64 -18.004 -0.003 2.851 495 HA ALA 64 HA ALA 64 -18.907 -2.782 2.197 496 1HB ALA 64 HB1 ALA 64 -18.649 -3.294 4.461 497 2HB ALA 64 HB2 ALA 64 -18.829 -1.612 4.960 498 3HB ALA 64 HB3 ALA 64 -17.328 -2.153 4.208 499 H GLY 65 HN GLY 65 -21.118 -3.273 2.850 500 1HA GLY 65 HA2 GLY 65 -22.862 -0.856 2.830 501 2HA GLY 65 HA1 GLY 65 -23.371 -2.472 2.331 502 H GLY 66 HN GLY 66 -21.449 -1.936 5.208 503 1HA GLY 66 HA2 GLY 66 -22.533 -1.576 7.441 504 2HA GLY 66 HA1 GLY 66 -23.853 -2.595 6.864 Start of MODEL 4 1 1H MET 1 HT1 MET 1 13.664 1.127 3.619 2 2H MET 1 HT2 MET 1 14.944 2.077 3.033 3 3H MET 1 HT3 MET 1 14.671 0.527 2.391 4 HA MET 1 HA MET 1 13.882 2.423 0.969 5 1HB MET 1 HB2 MET 1 12.395 0.948 0.108 6 2HB MET 1 HB1 MET 1 13.120 -0.111 1.313 7 1HG MET 1 HG2 MET 1 10.927 -0.412 1.858 8 2HG MET 1 HG1 MET 1 11.244 1.026 2.830 9 1HE MET 1 HE1 MET 1 8.936 0.766 -1.133 10 2HE MET 1 HE2 MET 1 9.302 -0.559 -0.035 11 3HE MET 1 HE3 MET 1 10.594 0.172 -0.984 12 H GLN 2 HN GLN 2 11.679 3.547 0.603 13 HA GLN 2 HA GLN 2 10.399 4.467 3.111 14 1HB GLN 2 HB2 GLN 2 12.442 5.848 2.582 15 2HB GLN 2 HB1 GLN 2 11.651 6.298 1.075 16 1HG GLN 2 HG2 GLN 2 9.679 7.044 2.572 17 2HG GLN 2 HG1 GLN 2 10.843 6.971 3.892 18 1HE2 GLN 2 HE21 GLN 2 12.156 7.914 0.778 19 2HE2 GLN 2 HE22 GLN 2 12.291 9.563 1.130 20 H ILE 3 HN ILE 3 8.434 5.653 2.705 21 HA ILE 3 HA ILE 3 7.411 5.398 -0.046 22 HB ILE 3 HB ILE 3 5.856 3.833 0.584 23 1HG1 ILE 3 HG12 ILE 3 5.951 5.271 3.168 24 2HG1 ILE 3 HG11 ILE 3 4.558 4.706 2.264 25 1HG2 ILE 3 HG21 ILE 3 8.039 3.411 2.644 26 2HG2 ILE 3 HG22 ILE 3 8.122 2.939 0.952 27 3HG2 ILE 3 HG23 ILE 3 6.960 2.161 2.019 28 1HD1 ILE 3 HD11 ILE 3 4.878 3.474 4.416 29 2HD1 ILE 3 HD12 ILE 3 6.436 2.907 3.826 30 3HD1 ILE 3 HD13 ILE 3 4.952 2.412 3.011 31 H LEU 4 HN LEU 4 5.077 6.108 -0.054 32 HA LEU 4 HA LEU 4 4.590 8.352 1.842 33 1HB LEU 4 HB2 LEU 4 5.288 9.139 -0.439 34 2HB LEU 4 HB1 LEU 4 3.957 8.210 -1.128 35 HG LEU 4 HG LEU 4 3.488 10.720 -0.645 36 1HD1 LEU 4 HD11 LEU 4 1.293 10.142 -0.574 37 2HD1 LEU 4 HD12 LEU 4 1.518 9.083 0.823 38 3HD1 LEU 4 HD13 LEU 4 1.924 8.512 -0.794 39 1HD2 LEU 4 HD21 LEU 4 3.045 9.690 2.144 40 2HD2 LEU 4 HD22 LEU 4 3.114 11.361 1.580 41 3HD2 LEU 4 HD23 LEU 4 4.588 10.407 1.690 42 H PHE 5 HN PHE 5 2.984 7.385 3.050 43 HA PHE 5 HA PHE 5 0.939 5.776 1.612 44 1HB PHE 5 HB2 PHE 5 2.351 4.928 3.578 45 2HB PHE 5 HB1 PHE 5 1.438 6.032 4.595 46 HD1 PHE 5 HD1 PHE 5 -0.939 5.649 5.055 47 HD2 PHE 5 HD2 PHE 5 1.298 2.991 2.531 48 HE1 PHE 5 HE1 PHE 5 -2.769 3.982 5.189 49 HE2 PHE 5 HE2 PHE 5 -0.532 1.324 2.664 50 HZ PHE 5 HZ PHE 5 -2.566 1.821 3.993 51 H ASN 6 HN ASN 6 -0.547 7.314 0.891 52 HA ASN 6 HA ASN 6 -2.209 8.937 1.013 53 1HB ASN 6 HB2 ASN 6 -2.770 7.254 2.922 54 2HB ASN 6 HB1 ASN 6 -2.177 8.522 3.994 55 1HD2 ASN 6 HD21 ASN 6 -4.564 7.999 1.343 56 2HD2 ASN 6 HD22 ASN 6 -5.661 9.170 1.899 57 H ASP 7 HN ASP 7 -0.008 10.008 0.643 58 HA ASP 7 HA ASP 7 1.305 11.927 0.823 59 1HB ASP 7 HB2 ASP 7 -0.665 13.176 2.648 60 2HB ASP 7 HB1 ASP 7 0.068 13.800 1.174 61 H GLN 8 HN GLN 8 1.296 9.754 2.976 62 HA GLN 8 HA GLN 8 2.615 11.388 5.135 63 1HB GLN 8 HB2 GLN 8 1.428 8.601 5.260 64 2HB GLN 8 HB1 GLN 8 2.004 9.558 6.623 65 1HG GLN 8 HG2 GLN 8 0.114 11.088 5.076 66 2HG GLN 8 HG1 GLN 8 -0.593 9.541 5.537 67 1HE2 GLN 8 HE21 GLN 8 0.019 8.969 8.010 68 2HE2 GLN 8 HE22 GLN 8 -0.218 10.247 9.100 69 H ALA 9 HN ALA 9 4.818 11.199 4.971 70 HA ALA 9 HA ALA 9 6.057 9.182 3.307 71 1HB ALA 9 HB1 ALA 9 7.545 10.865 3.392 72 2HB ALA 9 HB2 ALA 9 7.987 10.308 5.006 73 3HB ALA 9 HB3 ALA 9 6.758 11.558 4.809 74 H MET 10 HN MET 10 7.267 7.385 3.921 75 HA MET 10 HA MET 10 7.199 6.502 6.798 76 1HB MET 10 HB2 MET 10 5.363 5.710 4.948 77 2HB MET 10 HB1 MET 10 6.646 4.537 4.693 78 1HG MET 10 HG2 MET 10 5.448 3.452 6.313 79 2HG MET 10 HG1 MET 10 6.596 4.346 7.304 80 1HE MET 10 HE1 MET 10 3.550 4.255 5.459 81 2HE MET 10 HE2 MET 10 2.961 5.906 5.636 82 3HE MET 10 HE3 MET 10 2.256 4.619 6.608 83 H GLN 11 HN GLN 11 8.294 4.222 6.848 84 HA GLN 11 HA GLN 11 10.349 3.836 4.785 85 1HB GLN 11 HB2 GLN 11 11.460 3.484 7.434 86 2HB GLN 11 HB1 GLN 11 12.119 4.361 6.064 87 1HG GLN 11 HG2 GLN 11 10.635 6.283 6.594 88 2HG GLN 11 HG1 GLN 11 10.034 5.411 8.002 89 1HE2 GLN 11 HE21 GLN 11 13.245 6.356 6.610 90 2HE2 GLN 11 HE22 GLN 11 13.929 6.759 8.110 91 H CYS 12 HN CYS 12 10.155 1.822 4.269 92 HA CYS 12 HA CYS 12 9.644 -0.269 6.353 93 1HB CYS 12 HB2 CYS 12 7.853 -1.180 5.029 94 2HB CYS 12 HB1 CYS 12 7.547 0.547 5.204 95 HG CYS 12 HG CYS 12 8.206 -0.884 2.582 96 H ALA 13 HN ALA 13 9.346 -2.376 4.569 97 HA ALA 13 HA ALA 13 12.111 -2.908 3.897 98 1HB ALA 13 HB1 ALA 13 10.489 -5.006 3.049 99 2HB ALA 13 HB2 ALA 13 9.604 -4.291 4.397 100 3HB ALA 13 HB3 ALA 13 11.255 -4.865 4.631 101 H ALA 14 HN ALA 14 12.808 -1.957 1.938 102 HA ALA 14 HA ALA 14 11.183 -1.546 -0.375 103 1HB ALA 14 HB1 ALA 14 14.056 -1.718 0.304 104 2HB ALA 14 HB2 ALA 14 13.204 -0.511 -0.659 105 3HB ALA 14 HB3 ALA 14 13.669 -2.048 -1.384 106 H GLY 15 HN GLY 15 10.661 -2.944 -2.054 107 1HA GLY 15 HA2 GLY 15 10.735 -4.913 -3.374 108 2HA GLY 15 HA1 GLY 15 11.874 -5.588 -2.217 109 H GLN 16 HN GLN 16 9.483 -4.283 -0.395 110 HA GLN 16 HA GLN 16 8.166 -6.924 -0.054 111 1HB GLN 16 HB2 GLN 16 8.127 -6.323 2.132 112 2HB GLN 16 HB1 GLN 16 9.253 -5.072 1.651 113 1HG GLN 16 HG2 GLN 16 7.488 -3.447 1.448 114 2HG GLN 16 HG1 GLN 16 6.249 -4.691 1.631 115 1HE2 GLN 16 HE21 GLN 16 6.884 -2.267 3.369 116 2HE2 GLN 16 HE22 GLN 16 7.106 -2.900 4.928 117 H THR 17 HN THR 17 6.078 -7.202 -0.861 118 HA THR 17 HA THR 17 4.800 -5.361 -2.531 119 HB THR 17 HB THR 17 2.970 -6.800 -2.494 120 HG1 THR 17 HG1 THR 17 2.308 -7.865 -0.682 121 1HG2 THR 17 HG21 THR 17 4.588 -8.908 -1.290 122 2HG2 THR 17 HG22 THR 17 5.455 -7.966 -2.504 123 3HG2 THR 17 HG23 THR 17 3.944 -8.772 -2.925 124 H VAL 18 HN VAL 18 2.295 -5.183 -1.848 125 HA VAL 18 HA VAL 18 2.027 -2.862 -0.095 126 HB VAL 18 HB VAL 18 0.128 -4.741 -1.427 127 1HG1 VAL 18 HG11 VAL 18 -1.267 -3.500 -0.173 128 2HG1 VAL 18 HG12 VAL 18 -1.106 -2.398 -1.541 129 3HG1 VAL 18 HG13 VAL 18 -0.143 -2.146 -0.083 130 1HG2 VAL 18 HG21 VAL 18 1.334 -2.215 -2.517 131 2HG2 VAL 18 HG22 VAL 18 0.240 -3.307 -3.364 132 3HG2 VAL 18 HG23 VAL 18 1.868 -3.838 -2.944 133 H HIS 19 HN HIS 19 0.548 -6.093 -0.318 134 HA HIS 19 HA HIS 19 -0.710 -6.245 2.207 135 1HB HIS 19 HB2 HIS 19 -0.623 -7.825 0.129 136 2HB HIS 19 HB1 HIS 19 0.889 -8.417 0.805 137 HD1 HIS 19 HD1 HIS 19 -2.685 -7.843 2.047 138 HD2 HIS 19 HD2 HIS 19 0.466 -10.530 2.543 139 HE1 HIS 19 HE1 HIS 19 -3.525 -9.653 3.605 140 H GLU 20 HN GLU 20 2.535 -6.375 1.030 141 HA GLU 20 HA GLU 20 3.752 -7.262 3.578 142 1HB GLU 20 HB2 GLU 20 4.734 -6.258 0.904 143 2HB GLU 20 HB1 GLU 20 5.842 -6.607 2.227 144 1HG GLU 20 HG2 GLU 20 3.813 -8.623 1.252 145 2HG GLU 20 HG1 GLU 20 5.430 -8.509 0.561 146 H LEU 21 HN LEU 21 3.361 -4.244 1.702 147 HA LEU 21 HA LEU 21 4.860 -2.571 3.516 148 1HB LEU 21 HB2 LEU 21 4.189 -2.076 1.156 149 2HB LEU 21 HB1 LEU 21 2.513 -1.970 1.674 150 HG LEU 21 HG LEU 21 2.867 0.237 1.997 151 1HD1 LEU 21 HD11 LEU 21 4.358 0.909 3.960 152 2HD1 LEU 21 HD12 LEU 21 4.658 -0.813 4.187 153 3HD1 LEU 21 HD13 LEU 21 3.018 -0.176 4.324 154 1HD2 LEU 21 HD21 LEU 21 5.837 0.099 2.185 155 2HD2 LEU 21 HD22 LEU 21 4.813 1.271 1.356 156 3HD2 LEU 21 HD23 LEU 21 5.086 -0.320 0.644 157 H LEU 22 HN LEU 22 1.316 -2.880 3.121 158 HA LEU 22 HA LEU 22 0.408 -1.412 5.290 159 1HB LEU 22 HB2 LEU 22 -0.405 -3.986 3.948 160 2HB LEU 22 HB1 LEU 22 -1.368 -3.354 5.283 161 HG LEU 22 HG LEU 22 -0.645 -1.321 3.299 162 1HD1 LEU 22 HD11 LEU 22 -1.058 -2.677 1.508 163 2HD1 LEU 22 HD12 LEU 22 -2.742 -2.417 1.957 164 3HD1 LEU 22 HD13 LEU 22 -1.904 -3.878 2.480 165 1HD2 LEU 22 HD21 LEU 22 -3.359 -1.426 3.576 166 2HD2 LEU 22 HD22 LEU 22 -2.278 -0.547 4.660 167 3HD2 LEU 22 HD23 LEU 22 -2.823 -2.173 5.081 168 H GLU 23 HN GLU 23 1.116 -4.901 5.362 169 HA GLU 23 HA GLU 23 0.732 -5.386 8.102 170 1HB GLU 23 HB2 GLU 23 1.239 -7.048 6.357 171 2HB GLU 23 HB1 GLU 23 2.887 -6.430 6.245 172 1HG GLU 23 HG2 GLU 23 3.499 -7.802 7.917 173 2HG GLU 23 HG1 GLU 23 2.385 -6.958 8.992 174 H GLN 24 HN GLN 24 3.678 -4.102 6.486 175 HA GLN 24 HA GLN 24 5.390 -3.990 8.776 176 1HB GLN 24 HB2 GLN 24 5.903 -3.552 6.306 177 2HB GLN 24 HB1 GLN 24 5.158 -1.966 6.526 178 1HG GLN 24 HG2 GLN 24 7.669 -1.983 6.808 179 2HG GLN 24 HG1 GLN 24 6.772 -1.341 8.185 180 1HE2 GLN 24 HE21 GLN 24 8.136 -1.987 9.925 181 2HE2 GLN 24 HE22 GLN 24 8.550 -3.602 10.245 182 H LEU 25 HN LEU 25 3.256 -1.613 7.328 183 HA LEU 25 HA LEU 25 3.564 0.433 9.295 184 1HB LEU 25 HB2 LEU 25 1.723 -0.280 7.021 185 2HB LEU 25 HB1 LEU 25 1.398 1.149 8.009 186 HG LEU 25 HG LEU 25 3.625 1.982 7.552 187 1HD1 LEU 25 HD11 LEU 25 5.014 0.846 5.787 188 2HD1 LEU 25 HD12 LEU 25 4.005 -0.563 6.068 189 3HD1 LEU 25 HD13 LEU 25 4.977 0.088 7.377 190 1HD2 LEU 25 HD21 LEU 25 1.979 1.191 5.171 191 2HD2 LEU 25 HD22 LEU 25 3.433 2.170 4.981 192 3HD2 LEU 25 HD23 LEU 25 2.083 2.773 5.942 193 H ASP 26 HN ASP 26 1.760 -2.473 9.163 194 HA ASP 26 HA ASP 26 0.633 -3.515 11.011 195 1HB ASP 26 HB2 ASP 26 1.571 -1.528 12.355 196 2HB ASP 26 HB1 ASP 26 0.044 -0.733 11.992 197 H GLN 27 HN GLN 27 -0.271 -2.808 8.438 198 HA GLN 27 HA GLN 27 -3.163 -2.189 8.938 199 1HB GLN 27 HB2 GLN 27 -1.571 -1.791 6.385 200 2HB GLN 27 HB1 GLN 27 -3.119 -1.058 6.815 201 1HG GLN 27 HG2 GLN 27 -1.215 -0.421 8.870 202 2HG GLN 27 HG1 GLN 27 -0.497 -0.033 7.305 203 1HE2 GLN 27 HE21 GLN 27 -2.157 1.177 5.771 204 2HE2 GLN 27 HE22 GLN 27 -3.080 2.395 6.512 205 H ARG 28 HN ARG 28 -4.581 -3.833 8.251 206 HA ARG 28 HA ARG 28 -3.294 -6.220 7.007 207 1HB ARG 28 HB2 ARG 28 -5.816 -5.734 8.599 208 2HB ARG 28 HB1 ARG 28 -5.399 -7.305 7.906 209 1HG ARG 28 HG2 ARG 28 -4.477 -7.442 10.060 210 2HG ARG 28 HG1 ARG 28 -3.099 -6.944 9.080 211 1HD ARG 28 HD2 ARG 28 -3.030 -4.839 10.005 212 2HD ARG 28 HD1 ARG 28 -4.792 -4.758 10.205 213 HE ARG 28 HE ARG 28 -2.926 -6.202 12.028 214 1HH1 ARG 28 HH21 ARG 28 -6.140 -6.253 11.039 215 2HH1 ARG 28 HH22 ARG 28 -6.810 -6.060 12.626 216 1HH2 ARG 28 HH11 ARG 28 -3.758 -5.459 14.142 217 2HH2 ARG 28 HH12 ARG 28 -5.467 -5.614 14.374 218 H GLN 29 HN GLN 29 -5.737 -3.812 6.357 219 HA GLN 29 HA GLN 29 -6.777 -3.286 4.308 220 1HB GLN 29 HB2 GLN 29 -5.688 -5.875 3.239 221 2HB GLN 29 HB1 GLN 29 -6.022 -4.384 2.375 222 1HG GLN 29 HG2 GLN 29 -3.939 -3.618 2.750 223 2HG GLN 29 HG1 GLN 29 -4.069 -3.940 4.477 224 1HE2 GLN 29 HE21 GLN 29 -2.508 -5.409 5.153 225 2HE2 GLN 29 HE22 GLN 29 -1.913 -6.702 4.227 226 H ALA 30 HN ALA 30 -8.492 -4.151 6.054 227 HA ALA 30 HA ALA 30 -9.745 -6.708 5.385 228 1HB ALA 30 HB1 ALA 30 -11.452 -5.725 7.028 229 2HB ALA 30 HB2 ALA 30 -10.384 -4.324 7.132 230 3HB ALA 30 HB3 ALA 30 -9.810 -5.911 7.643 231 H GLY 31 HN GLY 31 -9.967 -3.409 4.407 232 1HA GLY 31 HA2 GLY 31 -11.692 -3.964 2.180 233 2HA GLY 31 HA1 GLY 31 -12.598 -3.155 3.466 234 H ALA 32 HN ALA 32 -9.453 -2.857 1.796 235 HA ALA 32 HA ALA 32 -9.903 0.104 1.664 236 1HB ALA 32 HB1 ALA 32 -7.329 0.110 2.160 237 2HB ALA 32 HB2 ALA 32 -7.618 -1.517 2.777 238 3HB ALA 32 HB3 ALA 32 -8.446 -0.138 3.504 239 H ALA 33 HN ALA 33 -9.000 1.087 -0.181 240 HA ALA 33 HA ALA 33 -7.627 -0.760 -2.115 241 1HB ALA 33 HB1 ALA 33 -10.112 0.407 -2.398 242 2HB ALA 33 HB2 ALA 33 -9.092 -0.105 -3.741 243 3HB ALA 33 HB3 ALA 33 -9.073 1.573 -3.213 244 H LEU 34 HN LEU 34 -5.885 0.357 -3.350 245 HA LEU 34 HA LEU 34 -5.195 3.040 -2.272 246 1HB LEU 34 HB2 LEU 34 -3.879 1.993 -0.757 247 2HB LEU 34 HB1 LEU 34 -4.079 0.441 -1.559 248 HG LEU 34 HG LEU 34 -2.185 2.573 -2.575 249 1HD1 LEU 34 HD11 LEU 34 -1.296 0.148 -1.038 250 2HD1 LEU 34 HD12 LEU 34 -1.812 1.588 -0.158 251 3HD1 LEU 34 HD13 LEU 34 -0.457 1.680 -1.282 252 1HD2 LEU 34 HD21 LEU 34 -1.218 0.095 -3.274 253 2HD2 LEU 34 HD22 LEU 34 -2.222 1.103 -4.318 254 3HD2 LEU 34 HD23 LEU 34 -2.961 -0.169 -3.346 255 H ALA 35 HN ALA 35 -3.657 4.205 -3.563 256 HA ALA 35 HA ALA 35 -3.155 2.980 -6.262 257 1HB ALA 35 HB1 ALA 35 -4.774 5.102 -5.658 258 2HB ALA 35 HB2 ALA 35 -3.967 4.897 -7.213 259 3HB ALA 35 HB3 ALA 35 -3.248 5.926 -5.979 260 H ILE 36 HN ILE 36 -0.992 2.554 -6.402 261 HA ILE 36 HA ILE 36 0.867 4.285 -4.857 262 HB ILE 36 HB ILE 36 1.324 1.692 -6.356 263 1HG1 ILE 36 HG12 ILE 36 0.983 2.174 -3.382 264 2HG1 ILE 36 HG11 ILE 36 -0.311 1.593 -4.426 265 1HG2 ILE 36 HG21 ILE 36 3.146 3.588 -5.417 266 2HG2 ILE 36 HG22 ILE 36 3.508 1.900 -5.780 267 3HG2 ILE 36 HG23 ILE 36 3.097 2.379 -4.133 268 1HD1 ILE 36 HD11 ILE 36 2.252 0.210 -3.655 269 2HD1 ILE 36 HD12 ILE 36 1.392 -0.242 -5.126 270 3HD1 ILE 36 HD13 ILE 36 0.597 -0.394 -3.560 271 H ASN 37 HN ASN 37 2.143 5.767 -5.879 272 HA ASN 37 HA ASN 37 3.072 7.020 -7.643 273 1HB ASN 37 HB2 ASN 37 3.188 4.136 -8.510 274 2HB ASN 37 HB1 ASN 37 3.771 5.405 -9.590 275 1HD2 ASN 37 HD21 ASN 37 5.387 3.327 -8.132 276 2HD2 ASN 37 HD22 ASN 37 6.495 4.199 -7.187 277 H GLN 38 HN GLN 38 0.114 6.474 -7.491 278 HA GLN 38 HA GLN 38 -1.696 7.391 -8.714 279 1HB GLN 38 HB2 GLN 38 -1.243 8.584 -10.619 280 2HB GLN 38 HB1 GLN 38 0.420 8.366 -10.082 281 1HG GLN 38 HG2 GLN 38 0.161 6.090 -11.483 282 2HG GLN 38 HG1 GLN 38 -1.034 7.064 -12.341 283 1HE2 GLN 38 HE21 GLN 38 -0.172 8.297 -14.020 284 2HE2 GLN 38 HE22 GLN 38 1.440 8.828 -14.113 285 H GLN 39 HN GLN 39 -0.165 4.443 -9.135 286 HA GLN 39 HA GLN 39 -2.117 3.436 -11.123 287 1HB GLN 39 HB2 GLN 39 -0.745 1.489 -11.157 288 2HB GLN 39 HB1 GLN 39 0.384 2.828 -10.976 289 1HG GLN 39 HG2 GLN 39 -0.110 2.296 -8.370 290 2HG GLN 39 HG1 GLN 39 -0.345 0.688 -9.052 291 1HE2 GLN 39 HE21 GLN 39 1.561 -0.503 -9.086 292 2HE2 GLN 39 HE22 GLN 39 3.118 0.147 -9.277 293 H ILE 40 HN ILE 40 -4.161 3.210 -10.175 294 HA ILE 40 HA ILE 40 -4.469 2.418 -7.384 295 HB ILE 40 HB ILE 40 -6.283 2.802 -9.772 296 1HG1 ILE 40 HG12 ILE 40 -7.314 4.333 -7.858 297 2HG1 ILE 40 HG11 ILE 40 -5.695 4.181 -7.182 298 1HG2 ILE 40 HG21 ILE 40 -6.959 1.553 -7.096 299 2HG2 ILE 40 HG22 ILE 40 -7.329 0.937 -8.706 300 3HG2 ILE 40 HG23 ILE 40 -8.181 2.352 -8.086 301 1HD1 ILE 40 HD11 ILE 40 -4.831 4.855 -9.503 302 2HD1 ILE 40 HD12 ILE 40 -5.611 6.123 -8.558 303 3HD1 ILE 40 HD13 ILE 40 -6.492 5.324 -9.860 304 H VAL 41 HN VAL 41 -4.039 0.344 -6.759 305 HA VAL 41 HA VAL 41 -4.576 -1.859 -8.717 306 HB VAL 41 HB VAL 41 -2.945 -1.844 -6.182 307 1HG1 VAL 41 HG11 VAL 41 -2.115 -3.955 -6.962 308 2HG1 VAL 41 HG12 VAL 41 -2.869 -3.737 -8.543 309 3HG1 VAL 41 HG13 VAL 41 -3.871 -4.016 -7.120 310 1HG2 VAL 41 HG21 VAL 41 -1.071 -1.265 -7.437 311 2HG2 VAL 41 HG22 VAL 41 -2.304 -0.333 -8.286 312 3HG2 VAL 41 HG23 VAL 41 -1.760 -1.879 -8.938 313 HA PRO 42 HA PRO 42 -7.709 -3.152 -6.019 314 1HB PRO 42 HB2 PRO 42 -7.876 -5.743 -6.844 315 2HB PRO 42 HB1 PRO 42 -8.560 -4.363 -7.708 316 1HG PRO 42 HG2 PRO 42 -6.084 -5.900 -8.251 317 2HG PRO 42 HG1 PRO 42 -7.229 -5.175 -9.391 318 1HD PRO 42 HD2 PRO 42 -4.818 -4.069 -8.725 319 2HD PRO 42 HD1 PRO 42 -6.210 -3.141 -9.316 320 H ARG 43 HN ARG 43 -7.485 -3.652 -4.050 321 HA ARG 43 HA ARG 43 -5.589 -4.320 -2.334 322 1HB ARG 43 HB2 ARG 43 -7.341 -5.927 -1.246 323 2HB ARG 43 HB1 ARG 43 -7.725 -4.223 -1.438 324 1HG ARG 43 HG2 ARG 43 -9.264 -4.625 -3.116 325 2HG ARG 43 HG1 ARG 43 -8.441 -6.075 -3.665 326 1HD ARG 43 HD2 ARG 43 -9.176 -6.747 -1.078 327 2HD ARG 43 HD1 ARG 43 -10.563 -5.812 -1.666 328 HE ARG 43 HE ARG 43 -9.478 -7.818 -3.541 329 1HH1 ARG 43 HH21 ARG 43 -11.346 -7.683 -0.721 330 2HH1 ARG 43 HH22 ARG 43 -12.689 -8.563 -1.369 331 1HH2 ARG 43 HH11 ARG 43 -11.409 -8.644 -4.598 332 2HH2 ARG 43 HH12 ARG 43 -12.723 -9.113 -3.571 333 H GLU 44 HN GLU 44 -7.060 -6.805 -4.343 334 HA GLU 44 HA GLU 44 -5.904 -9.106 -3.309 335 1HB GLU 44 HB2 GLU 44 -7.599 -9.215 -4.881 336 2HB GLU 44 HB1 GLU 44 -6.810 -8.058 -5.948 337 1HG GLU 44 HG2 GLU 44 -6.566 -10.200 -7.006 338 2HG GLU 44 HG1 GLU 44 -4.990 -9.819 -6.313 339 H GLN 45 HN GLN 45 -4.554 -6.978 -5.838 340 HA GLN 45 HA GLN 45 -2.171 -8.517 -6.255 341 1HB GLN 45 HB2 GLN 45 -3.090 -5.709 -6.790 342 2HB GLN 45 HB1 GLN 45 -1.440 -6.187 -7.195 343 1HG GLN 45 HG2 GLN 45 -3.413 -8.152 -8.075 344 2HG GLN 45 HG1 GLN 45 -3.686 -6.565 -8.798 345 1HE2 GLN 45 HE21 GLN 45 -2.755 -8.768 -10.378 346 2HE2 GLN 45 HE22 GLN 45 -1.165 -8.437 -10.873 347 H TRP 46 HN TRP 46 -2.950 -6.042 -3.851 348 HA TRP 46 HA TRP 46 -0.546 -5.037 -3.019 349 1HB TRP 46 HB2 TRP 46 -2.752 -6.332 -1.390 350 2HB TRP 46 HB1 TRP 46 -1.513 -5.285 -0.708 351 HD1 TRP 46 HD1 TRP 46 -2.444 -4.068 -4.063 352 HE1 TRP 46 HE1 TRP 46 -4.063 -2.068 -3.882 353 HE3 TRP 46 HE3 TRP 46 -3.699 -4.400 0.866 354 HZ2 TRP 46 HZ2 TRP 46 -5.696 -0.790 -1.878 355 HZ3 TRP 46 HZ3 TRP 46 -5.284 -2.780 1.880 356 HH2 TRP 46 HH2 TRP 46 -6.280 -0.978 0.506 357 H ALA 47 HN ALA 47 -1.660 -8.349 -2.658 358 HA ALA 47 HA ALA 47 0.506 -9.194 -0.916 359 1HB ALA 47 HB1 ALA 47 -0.974 -11.123 -2.585 360 2HB ALA 47 HB2 ALA 47 -1.979 -10.029 -1.634 361 3HB ALA 47 HB3 ALA 47 -0.791 -11.060 -0.832 362 H GLN 48 HN GLN 48 0.173 -8.750 -4.331 363 HA GLN 48 HA GLN 48 2.729 -10.259 -4.758 364 1HB GLN 48 HB2 GLN 48 0.291 -9.953 -6.550 365 2HB GLN 48 HB1 GLN 48 1.771 -10.803 -7.002 366 1HG GLN 48 HG2 GLN 48 1.294 -12.608 -5.688 367 2HG GLN 48 HG1 GLN 48 0.587 -11.616 -4.412 368 1HE2 GLN 48 HE21 GLN 48 -1.461 -12.639 -4.187 369 2HE2 GLN 48 HE22 GLN 48 -2.588 -12.761 -5.449 370 H HIS 49 HN HIS 49 1.698 -7.321 -4.312 371 HA HIS 49 HA HIS 49 2.851 -6.058 -6.750 372 1HB HIS 49 HB2 HIS 49 0.555 -5.532 -5.947 373 2HB HIS 49 HB1 HIS 49 1.252 -4.963 -4.427 374 HD1 HIS 49 HD1 HIS 49 -0.276 -2.943 -6.171 375 HD2 HIS 49 HD2 HIS 49 3.834 -3.571 -6.470 376 HE1 HIS 49 HE1 HIS 49 0.701 -0.846 -7.213 377 H ILE 50 HN ILE 50 5.071 -6.658 -5.926 378 HA ILE 50 HA ILE 50 6.256 -5.910 -3.521 379 HB ILE 50 HB ILE 50 7.291 -5.932 -6.367 380 1HG1 ILE 50 HG12 ILE 50 6.319 -8.044 -5.414 381 2HG1 ILE 50 HG11 ILE 50 8.029 -8.173 -5.820 382 1HG2 ILE 50 HG21 ILE 50 8.578 -5.046 -3.943 383 2HG2 ILE 50 HG22 ILE 50 9.230 -5.113 -5.581 384 3HG2 ILE 50 HG23 ILE 50 9.358 -6.518 -4.523 385 1HD1 ILE 50 HD11 ILE 50 6.905 -8.819 -3.374 386 2HD1 ILE 50 HD12 ILE 50 7.583 -7.216 -3.090 387 3HD1 ILE 50 HD13 ILE 50 8.618 -8.523 -3.667 388 H VAL 51 HN VAL 51 6.706 -4.021 -2.599 389 HA VAL 51 HA VAL 51 6.220 -1.452 -4.016 390 HB VAL 51 HB VAL 51 6.936 -1.997 -1.119 391 1HG1 VAL 51 HG11 VAL 51 4.984 0.077 -1.820 392 2HG1 VAL 51 HG12 VAL 51 6.576 0.352 -2.528 393 3HG1 VAL 51 HG13 VAL 51 6.405 0.178 -0.781 394 1HG2 VAL 51 HG21 VAL 51 4.646 -2.407 -0.641 395 2HG2 VAL 51 HG22 VAL 51 4.967 -3.378 -2.075 396 3HG2 VAL 51 HG23 VAL 51 4.129 -1.837 -2.228 397 H GLN 52 HN GLN 52 7.873 0.144 -4.230 398 HA GLN 52 HA GLN 52 10.675 -0.862 -3.872 399 1HB GLN 52 HB2 GLN 52 9.351 1.190 -5.640 400 2HB GLN 52 HB1 GLN 52 11.101 0.979 -5.557 401 1HG GLN 52 HG2 GLN 52 9.792 -1.589 -5.874 402 2HG GLN 52 HG1 GLN 52 9.302 -0.492 -7.165 403 1HE2 GLN 52 HE21 GLN 52 11.230 -2.869 -7.194 404 2HE2 GLN 52 HE22 GLN 52 12.666 -2.240 -7.843 405 H ASP 53 HN ASP 53 12.297 0.594 -3.099 406 HA ASP 53 HA ASP 53 11.637 2.308 -0.934 407 1HB ASP 53 HB2 ASP 53 13.965 2.841 -1.017 408 2HB ASP 53 HB1 ASP 53 13.819 1.168 -1.553 409 H GLY 54 HN GLY 54 10.503 4.065 -1.156 410 1HA GLY 54 HA2 GLY 54 10.457 6.460 -1.855 411 2HA GLY 54 HA1 GLY 54 10.910 5.897 -3.476 412 H ASP 55 HN ASP 55 8.960 3.709 -1.853 413 HA ASP 55 HA ASP 55 6.897 3.489 -3.641 414 1HB ASP 55 HB2 ASP 55 7.260 1.920 -1.898 415 2HB ASP 55 HB1 ASP 55 7.053 3.147 -0.652 416 H GLN 56 HN GLN 56 4.977 4.545 -4.040 417 HA GLN 56 HA GLN 56 4.206 6.806 -2.230 418 1HB GLN 56 HB2 GLN 56 4.929 7.757 -4.314 419 2HB GLN 56 HB1 GLN 56 4.151 6.475 -5.246 420 1HG GLN 56 HG2 GLN 56 2.127 7.462 -5.149 421 2HG GLN 56 HG1 GLN 56 2.332 7.955 -3.478 422 1HE2 GLN 56 HE21 GLN 56 1.691 10.183 -3.818 423 2HE2 GLN 56 HE22 GLN 56 2.622 11.262 -4.739 424 H ILE 57 HN ILE 57 1.987 6.721 -1.598 425 HA ILE 57 HA ILE 57 0.403 4.517 -2.864 426 HB ILE 57 HB ILE 57 1.099 5.009 0.019 427 1HG1 ILE 57 HG12 ILE 57 1.197 2.472 -1.607 428 2HG1 ILE 57 HG11 ILE 57 2.559 3.586 -1.486 429 1HG2 ILE 57 HG21 ILE 57 -0.486 2.893 0.248 430 2HG2 ILE 57 HG22 ILE 57 -1.256 3.604 -1.171 431 3HG2 ILE 57 HG23 ILE 57 -1.142 4.527 0.327 432 1HD1 ILE 57 HD11 ILE 57 2.393 3.390 1.015 433 2HD1 ILE 57 HD12 ILE 57 2.833 1.885 0.210 434 3HD1 ILE 57 HD13 ILE 57 1.183 2.128 0.782 435 H LEU 58 HN LEU 58 -1.799 4.792 -2.858 436 HA LEU 58 HA LEU 58 -2.856 7.374 -1.801 437 1HB LEU 58 HB2 LEU 58 -2.744 6.565 -4.381 438 2HB LEU 58 HB1 LEU 58 -4.296 5.870 -3.919 439 HG LEU 58 HG LEU 58 -4.685 8.101 -4.783 440 1HD1 LEU 58 HD11 LEU 58 -4.856 8.644 -1.861 441 2HD1 LEU 58 HD12 LEU 58 -5.661 7.188 -2.445 442 3HD1 LEU 58 HD13 LEU 58 -6.104 8.763 -3.102 443 1HD2 LEU 58 HD21 LEU 58 -2.617 8.935 -2.724 444 2HD2 LEU 58 HD22 LEU 58 -3.634 10.064 -3.617 445 3HD2 LEU 58 HD23 LEU 58 -2.471 9.056 -4.477 446 H LEU 59 HN LEU 59 -4.813 7.159 -0.518 447 HA LEU 59 HA LEU 59 -5.389 4.308 0.169 448 1HB LEU 59 HB2 LEU 59 -4.443 6.031 1.846 449 2HB LEU 59 HB1 LEU 59 -6.051 6.749 1.820 450 HG LEU 59 HG LEU 59 -5.598 5.012 3.659 451 1HD1 LEU 59 HD11 LEU 59 -7.882 3.798 2.465 452 2HD1 LEU 59 HD12 LEU 59 -7.896 5.506 2.022 453 3HD1 LEU 59 HD13 LEU 59 -7.843 5.037 3.719 454 1HD2 LEU 59 HD21 LEU 59 -6.183 2.969 1.536 455 2HD2 LEU 59 HD22 LEU 59 -5.436 2.748 3.118 456 3HD2 LEU 59 HD23 LEU 59 -4.515 3.476 1.802 457 H PHE 60 HN PHE 60 -7.400 3.520 -0.055 458 HA PHE 60 HA PHE 60 -9.587 5.419 -0.820 459 1HB PHE 60 HB2 PHE 60 -8.919 2.617 -1.761 460 2HB PHE 60 HB1 PHE 60 -10.347 3.522 -2.273 461 HD1 PHE 60 HD1 PHE 60 -9.211 6.265 -2.449 462 HD2 PHE 60 HD2 PHE 60 -7.602 2.505 -3.762 463 HE1 PHE 60 HE1 PHE 60 -7.851 7.439 -4.155 464 HE2 PHE 60 HE2 PHE 60 -6.247 3.679 -5.469 465 HZ PHE 60 HZ PHE 60 -6.366 6.148 -5.665 466 H GLN 61 HN GLN 61 -11.726 4.758 -0.060 467 HA GLN 61 HA GLN 61 -11.608 3.396 2.549 468 1HB GLN 61 HB2 GLN 61 -13.727 4.869 0.966 469 2HB GLN 61 HB1 GLN 61 -14.020 4.195 2.569 470 1HG GLN 61 HG2 GLN 61 -12.054 5.547 3.404 471 2HG GLN 61 HG1 GLN 61 -12.004 6.331 1.826 472 1HE2 GLN 61 HE21 GLN 61 -12.607 8.414 2.824 473 2HE2 GLN 61 HE22 GLN 61 -14.203 8.700 3.326 474 H VAL 62 HN VAL 62 -13.090 1.716 3.144 475 HA VAL 62 HA VAL 62 -13.147 -0.592 1.597 476 HB VAL 62 HB VAL 62 -13.623 -0.417 4.007 477 1HG1 VAL 62 HG11 VAL 62 -16.293 0.202 4.225 478 2HG1 VAL 62 HG12 VAL 62 -15.764 1.324 2.970 479 3HG1 VAL 62 HG13 VAL 62 -14.975 1.330 4.548 480 1HG2 VAL 62 HG21 VAL 62 -16.104 -1.639 3.600 481 2HG2 VAL 62 HG22 VAL 62 -14.536 -2.446 3.609 482 3HG2 VAL 62 HG23 VAL 62 -15.239 -1.901 2.086 483 H ILE 63 HN ILE 63 -14.750 -1.603 0.295 484 HA ILE 63 HA ILE 63 -16.823 0.245 -0.834 485 HB ILE 63 HB ILE 63 -16.466 -1.519 -2.809 486 1HG1 ILE 63 HG12 ILE 63 -14.754 -2.735 -1.278 487 2HG1 ILE 63 HG11 ILE 63 -14.313 -2.469 -2.961 488 1HG2 ILE 63 HG21 ILE 63 -15.759 1.107 -2.341 489 2HG2 ILE 63 HG22 ILE 63 -15.630 0.269 -3.886 490 3HG2 ILE 63 HG23 ILE 63 -14.231 0.380 -2.828 491 1HD1 ILE 63 HD11 ILE 63 -12.673 -0.962 -2.432 492 2HD1 ILE 63 HD12 ILE 63 -12.690 -1.830 -0.897 493 3HD1 ILE 63 HD13 ILE 63 -13.564 -0.309 -1.059 494 H ALA 64 HN ALA 64 -18.489 -0.509 0.554 495 HA ALA 64 HA ALA 64 -19.191 -3.403 0.216 496 1HB ALA 64 HB1 ALA 64 -18.278 -2.561 2.453 497 2HB ALA 64 HB2 ALA 64 -19.827 -3.404 2.520 498 3HB ALA 64 HB3 ALA 64 -19.776 -1.643 2.604 499 H GLY 65 HN GLY 65 -21.475 -3.865 0.115 500 1HA GLY 65 HA2 GLY 65 -23.208 -1.479 -0.400 501 2HA GLY 65 HA1 GLY 65 -23.284 -2.915 -1.424 502 H GLY 66 HN GLY 66 -22.744 -3.271 1.989 503 1HA GLY 66 HA2 GLY 66 -25.554 -3.619 2.677 504 2HA GLY 66 HA1 GLY 66 -24.690 -5.150 2.516 Start of MODEL 5 1 1H MET 1 HT1 MET 1 -15.145 3.799 -1.681 2 2H MET 1 HT2 MET 1 -15.339 2.209 -1.117 3 3H MET 1 HT3 MET 1 -14.763 2.491 -2.690 4 HA MET 1 HA MET 1 -13.343 3.059 -0.135 5 1HB MET 1 HB2 MET 1 -13.618 0.772 -1.613 6 2HB MET 1 HB1 MET 1 -12.174 1.489 -2.323 7 1HG MET 1 HG2 MET 1 -12.436 1.331 0.656 8 2HG MET 1 HG1 MET 1 -11.945 -0.075 -0.261 9 1HE MET 1 HE1 MET 1 -10.394 0.391 1.679 10 2HE MET 1 HE2 MET 1 -8.854 1.235 1.510 11 3HE MET 1 HE3 MET 1 -9.148 -0.242 0.598 12 H GLN 2 HN GLN 2 -11.554 4.345 -0.300 13 HA GLN 2 HA GLN 2 -10.506 5.147 -2.936 14 1HB GLN 2 HB2 GLN 2 -12.331 6.718 -2.529 15 2HB GLN 2 HB1 GLN 2 -11.729 7.027 -0.901 16 1HG GLN 2 HG2 GLN 2 -9.817 8.160 -1.694 17 2HG GLN 2 HG1 GLN 2 -10.005 7.513 -3.320 18 1HE2 GLN 2 HE21 GLN 2 -11.668 8.466 -4.706 19 2HE2 GLN 2 HE22 GLN 2 -12.375 9.962 -4.328 20 H ILE 3 HN ILE 3 -8.410 5.856 -2.771 21 HA ILE 3 HA ILE 3 -7.298 5.914 -0.047 22 HB ILE 3 HB ILE 3 -6.152 3.965 -0.395 23 1HG1 ILE 3 HG12 ILE 3 -5.977 4.948 -3.185 24 2HG1 ILE 3 HG11 ILE 3 -4.713 4.296 -2.156 25 1HG2 ILE 3 HG21 ILE 3 -7.572 2.319 -1.596 26 2HG2 ILE 3 HG22 ILE 3 -8.391 3.639 -2.429 27 3HG2 ILE 3 HG23 ILE 3 -8.584 3.442 -0.688 28 1HD1 ILE 3 HD11 ILE 3 -5.218 2.768 -4.035 29 2HD1 ILE 3 HD12 ILE 3 -6.896 2.676 -3.501 30 3HD1 ILE 3 HD13 ILE 3 -5.611 2.021 -2.486 31 H LEU 4 HN LEU 4 -4.820 6.245 -0.300 32 HA LEU 4 HA LEU 4 -4.297 8.052 -2.609 33 1HB LEU 4 HB2 LEU 4 -4.709 9.264 -0.485 34 2HB LEU 4 HB1 LEU 4 -3.420 8.327 0.277 35 HG LEU 4 HG LEU 4 -2.769 10.669 -0.660 36 1HD1 LEU 4 HD11 LEU 4 -0.644 9.880 -0.748 37 2HD1 LEU 4 HD12 LEU 4 -1.050 8.649 -1.949 38 3HD1 LEU 4 HD13 LEU 4 -1.388 8.363 -0.242 39 1HD2 LEU 4 HD21 LEU 4 -4.068 9.985 -2.849 40 2HD2 LEU 4 HD22 LEU 4 -2.548 9.199 -3.254 41 3HD2 LEU 4 HD23 LEU 4 -2.592 10.937 -2.955 42 H PHE 5 HN PHE 5 -2.896 6.824 -3.805 43 HA PHE 5 HA PHE 5 -0.822 5.266 -2.339 44 1HB PHE 5 HB2 PHE 5 -2.147 3.963 -3.853 45 2HB PHE 5 HB1 PHE 5 -2.031 5.182 -5.118 46 HD1 PHE 5 HD1 PHE 5 -0.587 4.695 -6.867 47 HD2 PHE 5 HD2 PHE 5 0.313 3.206 -2.938 48 HE1 PHE 5 HE1 PHE 5 1.430 3.565 -7.759 49 HE2 PHE 5 HE2 PHE 5 2.333 2.076 -3.833 50 HZ PHE 5 HZ PHE 5 2.886 2.250 -6.245 51 H ASN 6 HN ASN 6 0.852 6.785 -2.003 52 HA ASN 6 HA ASN 6 2.626 8.197 -2.571 53 1HB ASN 6 HB2 ASN 6 2.786 6.246 -4.295 54 2HB ASN 6 HB1 ASN 6 2.121 7.411 -5.440 55 1HD2 ASN 6 HD21 ASN 6 4.655 6.536 -6.037 56 2HD2 ASN 6 HD22 ASN 6 5.811 7.726 -5.677 57 H ASP 7 HN ASP 7 0.523 9.510 -2.080 58 HA ASP 7 HA ASP 7 -0.669 11.496 -2.404 59 1HB ASP 7 HB2 ASP 7 1.241 12.283 -4.540 60 2HB ASP 7 HB1 ASP 7 0.653 13.203 -3.158 61 H GLN 8 HN GLN 8 -0.987 9.063 -4.255 62 HA GLN 8 HA GLN 8 -2.380 10.490 -6.512 63 1HB GLN 8 HB2 GLN 8 -1.464 7.605 -6.287 64 2HB GLN 8 HB1 GLN 8 -2.089 8.394 -7.732 65 1HG GLN 8 HG2 GLN 8 -0.066 10.094 -7.058 66 2HG GLN 8 HG1 GLN 8 0.599 8.551 -6.519 67 1HE2 GLN 8 HE21 GLN 8 -0.969 10.053 -9.394 68 2HE2 GLN 8 HE22 GLN 8 -0.153 9.088 -10.528 69 H ALA 9 HN ALA 9 -4.576 10.562 -6.098 70 HA ALA 9 HA ALA 9 -5.790 8.963 -4.033 71 1HB ALA 9 HB1 ALA 9 -6.688 10.835 -6.199 72 2HB ALA 9 HB2 ALA 9 -6.786 11.028 -4.448 73 3HB ALA 9 HB3 ALA 9 -7.893 9.933 -5.278 74 H MET 10 HN MET 10 -7.274 7.242 -4.247 75 HA MET 10 HA MET 10 -7.488 5.868 -6.908 76 1HB MET 10 HB2 MET 10 -5.594 5.238 -5.023 77 2HB MET 10 HB1 MET 10 -6.934 4.195 -4.568 78 1HG MET 10 HG2 MET 10 -5.808 2.870 -6.066 79 2HG MET 10 HG1 MET 10 -7.028 3.612 -7.090 80 1HE MET 10 HE1 MET 10 -2.521 4.306 -6.983 81 2HE MET 10 HE2 MET 10 -3.393 2.813 -6.639 82 3HE MET 10 HE3 MET 10 -3.550 4.189 -5.550 83 H GLN 11 HN GLN 11 -8.689 3.708 -6.441 84 HA GLN 11 HA GLN 11 -10.657 3.774 -4.262 85 1HB GLN 11 HB2 GLN 11 -11.869 3.202 -6.860 86 2HB GLN 11 HB1 GLN 11 -12.495 4.153 -5.525 87 1HG GLN 11 HG2 GLN 11 -10.952 6.018 -6.189 88 2HG GLN 11 HG1 GLN 11 -10.498 5.081 -7.612 89 1HE2 GLN 11 HE21 GLN 11 -12.396 4.462 -9.099 90 2HE2 GLN 11 HE22 GLN 11 -13.681 5.564 -9.234 91 H CYS 12 HN CYS 12 -10.558 1.745 -3.557 92 HA CYS 12 HA CYS 12 -10.293 -0.513 -5.499 93 1HB CYS 12 HB2 CYS 12 -8.389 -1.382 -4.341 94 2HB CYS 12 HB1 CYS 12 -8.071 0.326 -4.623 95 HG CYS 12 HG CYS 12 -8.684 0.805 -2.119 96 H ALA 13 HN ALA 13 -9.949 -2.567 -3.779 97 HA ALA 13 HA ALA 13 -12.591 -2.979 -2.738 98 1HB ALA 13 HB1 ALA 13 -11.854 -5.040 -3.281 99 2HB ALA 13 HB2 ALA 13 -10.838 -4.991 -1.844 100 3HB ALA 13 HB3 ALA 13 -10.195 -4.451 -3.393 101 H ALA 14 HN ALA 14 -13.141 -1.896 -0.867 102 HA ALA 14 HA ALA 14 -11.293 -1.272 1.246 103 1HB ALA 14 HB1 ALA 14 -13.737 -0.454 0.611 104 2HB ALA 14 HB2 ALA 14 -13.173 -0.395 2.281 105 3HB ALA 14 HB3 ALA 14 -14.208 -1.719 1.746 106 H GLY 15 HN GLY 15 -10.773 -2.424 3.055 107 1HA GLY 15 HA2 GLY 15 -10.905 -4.174 4.668 108 2HA GLY 15 HA1 GLY 15 -12.159 -4.919 3.684 109 H GLN 16 HN GLN 16 -9.868 -4.089 1.526 110 HA GLN 16 HA GLN 16 -8.750 -6.831 1.453 111 1HB GLN 16 HB2 GLN 16 -8.850 -6.473 -0.778 112 2HB GLN 16 HB1 GLN 16 -9.771 -5.036 -0.372 113 1HG GLN 16 HG2 GLN 16 -7.830 -3.638 -0.504 114 2HG GLN 16 HG1 GLN 16 -6.751 -5.032 -0.559 115 1HE2 GLN 16 HE21 GLN 16 -8.318 -2.766 -2.521 116 2HE2 GLN 16 HE22 GLN 16 -8.204 -3.600 -3.993 117 H THR 17 HN THR 17 -6.573 -7.190 2.096 118 HA THR 17 HA THR 17 -5.076 -5.222 3.444 119 HB THR 17 HB THR 17 -3.353 -6.777 3.499 120 HG1 THR 17 HG1 THR 17 -3.311 -8.412 1.709 121 1HG2 THR 17 HG21 THR 17 -4.378 -8.675 4.169 122 2HG2 THR 17 HG22 THR 17 -5.219 -8.874 2.631 123 3HG2 THR 17 HG23 THR 17 -5.860 -7.771 3.849 124 H VAL 18 HN VAL 18 -2.621 -5.251 2.545 125 HA VAL 18 HA VAL 18 -2.452 -3.249 0.425 126 HB VAL 18 HB VAL 18 -0.519 -4.996 1.869 127 1HG1 VAL 18 HG11 VAL 18 -0.192 -2.560 0.195 128 2HG1 VAL 18 HG12 VAL 18 0.664 -4.101 0.100 129 3HG1 VAL 18 HG13 VAL 18 0.999 -2.984 1.426 130 1HG2 VAL 18 HG21 VAL 18 -0.394 -3.312 3.540 131 2HG2 VAL 18 HG22 VAL 18 -2.106 -3.619 3.255 132 3HG2 VAL 18 HG23 VAL 18 -1.337 -2.197 2.553 133 H HIS 19 HN HIS 19 -1.113 -6.509 1.005 134 HA HIS 19 HA HIS 19 -0.108 -7.070 -1.571 135 1HB HIS 19 HB2 HIS 19 -0.139 -8.368 0.702 136 2HB HIS 19 HB1 HIS 19 -1.716 -8.948 0.182 137 HD1 HIS 19 HD1 HIS 19 0.374 -11.084 0.456 138 HD2 HIS 19 HD2 HIS 19 -0.088 -8.912 -3.072 139 HE1 HIS 19 HE1 HIS 19 1.405 -12.483 -1.386 140 H GLU 20 HN GLU 20 -3.256 -6.798 -0.158 141 HA GLU 20 HA GLU 20 -4.693 -7.882 -2.521 142 1HB GLU 20 HB2 GLU 20 -5.544 -6.521 0.051 143 2HB GLU 20 HB1 GLU 20 -6.672 -7.169 -1.139 144 1HG GLU 20 HG2 GLU 20 -4.488 -8.858 0.088 145 2HG GLU 20 HG1 GLU 20 -6.084 -8.707 0.823 146 H LEU 21 HN LEU 21 -3.934 -4.735 -1.034 147 HA LEU 21 HA LEU 21 -5.552 -3.222 -2.927 148 1HB LEU 21 HB2 LEU 21 -4.545 -2.724 -0.522 149 2HB LEU 21 HB1 LEU 21 -3.175 -2.130 -1.444 150 HG LEU 21 HG LEU 21 -5.742 -0.865 -0.947 151 1HD1 LEU 21 HD11 LEU 21 -4.184 0.722 -0.673 152 2HD1 LEU 21 HD12 LEU 21 -4.103 0.837 -2.431 153 3HD1 LEU 21 HD13 LEU 21 -2.982 -0.213 -1.562 154 1HD2 LEU 21 HD21 LEU 21 -5.858 0.097 -3.345 155 2HD2 LEU 21 HD22 LEU 21 -6.541 -1.509 -3.083 156 3HD2 LEU 21 HD23 LEU 21 -4.949 -1.337 -3.820 157 H LEU 22 HN LEU 22 -2.014 -3.707 -2.570 158 HA LEU 22 HA LEU 22 -1.044 -2.383 -4.828 159 1HB LEU 22 HB2 LEU 22 -0.353 -4.951 -3.395 160 2HB LEU 22 HB1 LEU 22 0.591 -4.436 -4.792 161 HG LEU 22 HG LEU 22 0.108 -2.783 -2.302 162 1HD1 LEU 22 HD11 LEU 22 1.956 -3.752 -1.449 163 2HD1 LEU 22 HD12 LEU 22 2.859 -3.432 -2.929 164 3HD1 LEU 22 HD13 LEU 22 1.908 -4.909 -2.778 165 1HD2 LEU 22 HD21 LEU 22 0.378 -1.275 -4.082 166 2HD2 LEU 22 HD22 LEU 22 1.506 -2.335 -4.928 167 3HD2 LEU 22 HD23 LEU 22 2.024 -1.471 -3.479 168 H GLU 23 HN GLU 23 -2.008 -5.761 -4.559 169 HA GLU 23 HA GLU 23 -1.878 -6.512 -7.280 170 1HB GLU 23 HB2 GLU 23 -3.247 -7.323 -4.782 171 2HB GLU 23 HB1 GLU 23 -3.931 -7.976 -6.271 172 1HG GLU 23 HG2 GLU 23 -1.323 -8.398 -6.789 173 2HG GLU 23 HG1 GLU 23 -1.272 -8.478 -5.027 174 H GLN 24 HN GLN 24 -4.735 -5.267 -5.476 175 HA GLN 24 HA GLN 24 -6.540 -5.238 -7.683 176 1HB GLN 24 HB2 GLN 24 -7.090 -4.989 -5.257 177 2HB GLN 24 HB1 GLN 24 -6.375 -3.375 -5.290 178 1HG GLN 24 HG2 GLN 24 -8.663 -2.936 -5.637 179 2HG GLN 24 HG1 GLN 24 -8.007 -2.941 -7.272 180 1HE2 GLN 24 HE21 GLN 24 -9.046 -5.561 -5.001 181 2HE2 GLN 24 HE22 GLN 24 -10.043 -6.338 -6.134 182 H LEU 25 HN LEU 25 -4.102 -2.905 -6.618 183 HA LEU 25 HA LEU 25 -4.933 -0.832 -8.501 184 1HB LEU 25 HB2 LEU 25 -2.434 -1.252 -6.828 185 2HB LEU 25 HB1 LEU 25 -2.955 0.275 -7.544 186 HG LEU 25 HG LEU 25 -4.682 -1.289 -5.628 187 1HD1 LEU 25 HD11 LEU 25 -2.317 0.361 -5.100 188 2HD1 LEU 25 HD12 LEU 25 -3.194 -0.717 -4.013 189 3HD1 LEU 25 HD13 LEU 25 -3.756 0.937 -4.260 190 1HD2 LEU 25 HD21 LEU 25 -4.704 1.496 -6.768 191 2HD2 LEU 25 HD22 LEU 25 -5.607 1.081 -5.311 192 3HD2 LEU 25 HD23 LEU 25 -5.973 0.274 -6.836 193 H ASP 26 HN ASP 26 -2.955 -3.634 -8.520 194 HA ASP 26 HA ASP 26 -1.878 -4.717 -10.324 195 1HB ASP 26 HB2 ASP 26 -3.538 -3.216 -11.632 196 2HB ASP 26 HB1 ASP 26 -2.169 -2.131 -11.832 197 H GLN 27 HN GLN 27 -0.645 -3.218 -8.201 198 HA GLN 27 HA GLN 27 1.912 -2.433 -9.546 199 1HB GLN 27 HB2 GLN 27 1.285 -1.177 -6.939 200 2HB GLN 27 HB1 GLN 27 1.940 -0.445 -8.396 201 1HG GLN 27 HG2 GLN 27 -0.799 -1.135 -8.925 202 2HG GLN 27 HG1 GLN 27 -0.735 -0.289 -7.386 203 1HE2 GLN 27 HE21 GLN 27 -0.286 0.049 -10.849 204 2HE2 GLN 27 HE22 GLN 27 0.013 1.720 -10.840 205 H ARG 28 HN ARG 28 3.481 -3.893 -8.873 206 HA ARG 28 HA ARG 28 2.966 -5.464 -6.423 207 1HB ARG 28 HB2 ARG 28 4.797 -5.623 -8.811 208 2HB ARG 28 HB1 ARG 28 5.081 -6.638 -7.397 209 1HG ARG 28 HG2 ARG 28 2.277 -6.636 -8.215 210 2HG ARG 28 HG1 ARG 28 3.352 -7.230 -9.482 211 1HD ARG 28 HD2 ARG 28 4.314 -8.883 -7.977 212 2HD ARG 28 HD1 ARG 28 3.403 -8.218 -6.608 213 HE ARG 28 HE ARG 28 1.345 -9.015 -7.645 214 1HH1 ARG 28 HH11 ARG 28 2.049 -8.883 -10.509 215 2HH1 ARG 28 HH12 ARG 28 2.303 -10.545 -10.922 216 1HH2 ARG 28 HH21 ARG 28 2.633 -11.588 -7.633 217 2HH2 ARG 28 HH22 ARG 28 2.634 -12.076 -9.294 218 H GLN 29 HN GLN 29 6.263 -5.332 -7.005 219 HA GLN 29 HA GLN 29 7.114 -2.942 -5.771 220 1HB GLN 29 HB2 GLN 29 7.522 -4.263 -3.477 221 2HB GLN 29 HB1 GLN 29 6.043 -3.362 -3.787 222 1HG GLN 29 HG2 GLN 29 4.769 -5.254 -3.968 223 2HG GLN 29 HG1 GLN 29 6.062 -6.181 -4.722 224 1HE2 GLN 29 HE21 GLN 29 4.244 -6.431 -2.103 225 2HE2 GLN 29 HE22 GLN 29 5.371 -6.950 -0.945 226 H ALA 30 HN ALA 30 7.763 -6.456 -5.307 227 HA ALA 30 HA ALA 30 9.747 -7.692 -5.727 228 1HB ALA 30 HB1 ALA 30 9.426 -5.930 -7.787 229 2HB ALA 30 HB2 ALA 30 10.751 -7.091 -7.691 230 3HB ALA 30 HB3 ALA 30 10.995 -5.426 -7.160 231 H GLY 31 HN GLY 31 9.453 -5.177 -3.766 232 1HA GLY 31 HA2 GLY 31 11.364 -5.419 -1.968 233 2HA GLY 31 HA1 GLY 31 12.339 -4.756 -3.282 234 H ALA 32 HN ALA 32 9.000 -3.962 -2.330 235 HA ALA 32 HA ALA 32 9.898 -1.115 -2.023 236 1HB ALA 32 HB1 ALA 32 8.007 -2.359 -3.709 237 2HB ALA 32 HB2 ALA 32 8.225 -0.627 -3.469 238 3HB ALA 32 HB3 ALA 32 7.059 -1.513 -2.486 239 H ALA 33 HN ALA 33 8.592 0.160 -0.526 240 HA ALA 33 HA ALA 33 7.169 -1.380 1.596 241 1HB ALA 33 HB1 ALA 33 8.400 0.004 3.265 242 2HB ALA 33 HB2 ALA 33 9.333 0.724 1.952 243 3HB ALA 33 HB3 ALA 33 9.497 -0.995 2.311 244 H LEU 34 HN LEU 34 5.684 0.133 2.817 245 HA LEU 34 HA LEU 34 5.234 2.734 1.448 246 1HB LEU 34 HB2 LEU 34 3.593 1.853 0.196 247 2HB LEU 34 HB1 LEU 34 3.920 0.275 0.887 248 HG LEU 34 HG LEU 34 2.116 2.333 2.201 249 1HD1 LEU 34 HD11 LEU 34 1.518 1.047 -0.135 250 2HD1 LEU 34 HD12 LEU 34 0.314 1.504 1.069 251 3HD1 LEU 34 HD13 LEU 34 0.955 -0.136 1.045 252 1HD2 LEU 34 HD21 LEU 34 3.304 -0.120 3.074 253 2HD2 LEU 34 HD22 LEU 34 1.569 -0.385 2.903 254 3HD2 LEU 34 HD23 LEU 34 2.165 0.908 3.944 255 H ALA 35 HN ALA 35 3.967 4.216 2.725 256 HA ALA 35 HA ALA 35 3.513 3.304 5.553 257 1HB ALA 35 HB1 ALA 35 5.073 5.391 4.496 258 2HB ALA 35 HB2 ALA 35 4.636 5.163 6.187 259 3HB ALA 35 HB3 ALA 35 3.638 6.178 5.147 260 H ILE 36 HN ILE 36 1.389 3.051 5.937 261 HA ILE 36 HA ILE 36 -0.534 4.655 4.327 262 HB ILE 36 HB ILE 36 -0.969 2.295 6.184 263 1HG1 ILE 36 HG12 ILE 36 -0.412 2.501 3.215 264 2HG1 ILE 36 HG11 ILE 36 0.441 1.527 4.411 265 1HG2 ILE 36 HG21 ILE 36 -2.807 4.080 5.201 266 2HG2 ILE 36 HG22 ILE 36 -3.174 2.402 5.598 267 3HG2 ILE 36 HG23 ILE 36 -2.802 2.854 3.934 268 1HD1 ILE 36 HD11 ILE 36 -2.123 0.600 4.689 269 2HD1 ILE 36 HD12 ILE 36 -0.896 -0.159 3.674 270 3HD1 ILE 36 HD13 ILE 36 -2.064 0.955 2.963 271 H ASN 37 HN ASN 37 -1.735 6.270 5.284 272 HA ASN 37 HA ASN 37 -2.497 7.732 6.971 273 1HB ASN 37 HB2 ASN 37 -2.296 5.164 8.580 274 2HB ASN 37 HB1 ASN 37 -3.305 6.558 8.971 275 1HD2 ASN 37 HD21 ASN 37 -4.344 3.868 8.440 276 2HD2 ASN 37 HD22 ASN 37 -5.309 3.976 7.047 277 H GLN 38 HN GLN 38 0.451 7.140 6.589 278 HA GLN 38 HA GLN 38 2.379 8.190 7.487 279 1HB GLN 38 HB2 GLN 38 2.096 9.688 9.201 280 2HB GLN 38 HB1 GLN 38 0.390 9.403 8.878 281 1HG GLN 38 HG2 GLN 38 0.796 7.380 10.592 282 2HG GLN 38 HG1 GLN 38 2.074 8.455 11.156 283 1HE2 GLN 38 HE21 GLN 38 1.443 10.507 12.118 284 2HE2 GLN 38 HE22 GLN 38 -0.166 10.829 12.552 285 H GLN 39 HN GLN 39 1.151 5.295 8.087 286 HA GLN 39 HA GLN 39 3.224 4.632 10.144 287 1HB GLN 39 HB2 GLN 39 1.836 2.813 10.786 288 2HB GLN 39 HB1 GLN 39 0.712 4.138 10.499 289 1HG GLN 39 HG2 GLN 39 0.743 3.100 8.027 290 2HG GLN 39 HG1 GLN 39 1.146 1.643 8.932 291 1HE2 GLN 39 HE21 GLN 39 -0.396 1.069 10.762 292 2HE2 GLN 39 HE22 GLN 39 -2.031 1.496 10.604 293 H ILE 40 HN ILE 40 5.066 4.053 9.045 294 HA ILE 40 HA ILE 40 4.999 2.844 6.400 295 HB ILE 40 HB ILE 40 7.074 3.404 8.522 296 1HG1 ILE 40 HG12 ILE 40 8.020 4.494 6.264 297 2HG1 ILE 40 HG11 ILE 40 6.315 4.443 5.827 298 1HG2 ILE 40 HG21 ILE 40 7.902 1.332 7.706 299 2HG2 ILE 40 HG22 ILE 40 8.749 2.544 6.745 300 3HG2 ILE 40 HG23 ILE 40 7.375 1.677 6.059 301 1HD1 ILE 40 HD11 ILE 40 6.805 5.419 8.559 302 2HD1 ILE 40 HD12 ILE 40 5.774 6.090 7.296 303 3HD1 ILE 40 HD13 ILE 40 7.500 6.443 7.303 304 H VAL 41 HN VAL 41 3.918 0.869 6.408 305 HA VAL 41 HA VAL 41 4.441 -1.118 8.524 306 HB VAL 41 HB VAL 41 2.881 -1.257 5.941 307 1HG1 VAL 41 HG11 VAL 41 3.617 -3.415 7.069 308 2HG1 VAL 41 HG12 VAL 41 1.876 -3.230 6.858 309 3HG1 VAL 41 HG13 VAL 41 2.608 -2.948 8.438 310 1HG2 VAL 41 HG21 VAL 41 2.304 0.483 7.850 311 2HG2 VAL 41 HG22 VAL 41 1.686 -0.943 8.683 312 3HG2 VAL 41 HG23 VAL 41 1.014 -0.474 7.121 313 HA PRO 42 HA PRO 42 7.497 -3.151 6.203 314 1HB PRO 42 HB2 PRO 42 7.327 -5.591 7.378 315 2HB PRO 42 HB1 PRO 42 8.134 -4.191 8.086 316 1HG PRO 42 HG2 PRO 42 5.476 -5.351 8.695 317 2HG PRO 42 HG1 PRO 42 6.653 -4.607 9.790 318 1HD PRO 42 HD2 PRO 42 4.415 -3.339 8.850 319 2HD PRO 42 HD1 PRO 42 5.883 -2.501 9.389 320 H ARG 43 HN ARG 43 7.211 -3.800 4.308 321 HA ARG 43 HA ARG 43 5.284 -4.489 2.637 322 1HB ARG 43 HB2 ARG 43 6.899 -6.366 1.770 323 2HB ARG 43 HB1 ARG 43 7.447 -4.695 1.788 324 1HG ARG 43 HG2 ARG 43 8.015 -5.869 4.345 325 2HG ARG 43 HG1 ARG 43 8.617 -6.941 3.084 326 1HD ARG 43 HD2 ARG 43 9.983 -5.216 2.134 327 2HD ARG 43 HD1 ARG 43 9.181 -3.960 3.099 328 HE ARG 43 HE ARG 43 10.259 -4.862 5.091 329 1HH1 ARG 43 HH21 ARG 43 12.618 -4.540 3.295 330 2HH1 ARG 43 HH22 ARG 43 13.383 -6.090 3.405 331 1HH2 ARG 43 HH11 ARG 43 10.595 -7.666 4.736 332 2HH2 ARG 43 HH12 ARG 43 12.237 -7.860 4.217 333 H GLU 44 HN GLU 44 6.771 -7.203 4.410 334 HA GLU 44 HA GLU 44 5.137 -9.278 3.771 335 1HB GLU 44 HB2 GLU 44 7.014 -9.494 5.200 336 2HB GLU 44 HB1 GLU 44 6.323 -8.383 6.386 337 1HG GLU 44 HG2 GLU 44 4.657 -9.962 7.049 338 2HG GLU 44 HG1 GLU 44 4.967 -10.986 5.646 339 H GLN 45 HN GLN 45 4.347 -6.853 6.290 340 HA GLN 45 HA GLN 45 1.891 -8.021 7.120 341 1HB GLN 45 HB2 GLN 45 3.030 -5.231 7.057 342 2HB GLN 45 HB1 GLN 45 1.388 -5.502 7.641 343 1HG GLN 45 HG2 GLN 45 3.405 -7.364 8.732 344 2HG GLN 45 HG1 GLN 45 3.614 -5.678 9.216 345 1HE2 GLN 45 HE21 GLN 45 2.077 -8.478 10.177 346 2HE2 GLN 45 HE22 GLN 45 0.776 -7.801 11.030 347 H TRP 46 HN TRP 46 2.643 -6.020 4.314 348 HA TRP 46 HA TRP 46 0.258 -5.062 3.400 349 1HB TRP 46 HB2 TRP 46 2.391 -6.693 1.989 350 2HB TRP 46 HB1 TRP 46 1.138 -5.812 1.128 351 HD1 TRP 46 HD1 TRP 46 2.102 -3.872 4.106 352 HE1 TRP 46 HE1 TRP 46 3.695 -1.954 3.456 353 HE3 TRP 46 HE3 TRP 46 3.382 -5.350 -0.609 354 HZ2 TRP 46 HZ2 TRP 46 5.306 -1.155 1.220 355 HZ3 TRP 46 HZ3 TRP 46 4.959 -4.002 -1.968 356 HH2 TRP 46 HH2 TRP 46 5.929 -1.908 -1.048 357 H ALA 47 HN ALA 47 1.246 -8.438 3.525 358 HA ALA 47 HA ALA 47 -0.978 -9.494 2.019 359 1HB ALA 47 HB1 ALA 47 -0.050 -11.605 2.912 360 2HB ALA 47 HB2 ALA 47 0.952 -10.669 4.023 361 3HB ALA 47 HB3 ALA 47 1.208 -10.543 2.282 362 H GLN 48 HN GLN 48 -0.598 -8.497 5.328 363 HA GLN 48 HA GLN 48 -3.267 -9.713 5.957 364 1HB GLN 48 HB2 GLN 48 -0.687 -9.558 7.519 365 2HB GLN 48 HB1 GLN 48 -2.231 -9.755 8.348 366 1HG GLN 48 HG2 GLN 48 -2.493 -11.644 6.426 367 2HG GLN 48 HG1 GLN 48 -0.742 -11.672 6.644 368 1HE2 GLN 48 HE21 GLN 48 -2.633 -13.796 7.487 369 2HE2 GLN 48 HE22 GLN 48 -2.476 -13.933 9.171 370 H HIS 49 HN HIS 49 -1.783 -6.968 5.236 371 HA HIS 49 HA HIS 49 -2.734 -5.273 7.445 372 1HB HIS 49 HB2 HIS 49 -0.531 -5.225 6.049 373 2HB HIS 49 HB1 HIS 49 -1.520 -4.416 4.833 374 HD1 HIS 49 HD1 HIS 49 0.146 -3.889 8.100 375 HD2 HIS 49 HD2 HIS 49 -2.636 -1.871 5.740 376 HE1 HIS 49 HE1 HIS 49 -0.034 -1.547 9.046 377 H ILE 50 HN ILE 50 -5.067 -5.879 6.957 378 HA ILE 50 HA ILE 50 -6.462 -5.426 4.598 379 HB ILE 50 HB ILE 50 -7.210 -4.876 7.483 380 1HG1 ILE 50 HG12 ILE 50 -6.435 -7.194 6.861 381 2HG1 ILE 50 HG11 ILE 50 -8.097 -7.125 7.447 382 1HG2 ILE 50 HG21 ILE 50 -9.003 -5.315 5.077 383 2HG2 ILE 50 HG22 ILE 50 -8.729 -3.757 5.856 384 3HG2 ILE 50 HG23 ILE 50 -9.534 -5.055 6.739 385 1HD1 ILE 50 HD11 ILE 50 -7.980 -6.700 4.576 386 2HD1 ILE 50 HD12 ILE 50 -8.900 -7.896 5.488 387 3HD1 ILE 50 HD13 ILE 50 -7.233 -8.233 5.024 388 H VAL 51 HN VAL 51 -6.844 -3.689 3.436 389 HA VAL 51 HA VAL 51 -6.037 -0.989 4.370 390 HB VAL 51 HB VAL 51 -6.971 -2.084 1.692 391 1HG1 VAL 51 HG11 VAL 51 -6.889 0.091 1.126 392 2HG1 VAL 51 HG12 VAL 51 -5.140 -0.027 1.333 393 3HG1 VAL 51 HG13 VAL 51 -6.152 0.524 2.667 394 1HG2 VAL 51 HG21 VAL 51 -4.100 -1.560 2.352 395 2HG2 VAL 51 HG22 VAL 51 -4.797 -2.746 1.258 396 3HG2 VAL 51 HG23 VAL 51 -4.826 -3.033 2.991 397 H GLN 52 HN GLN 52 -7.562 0.762 4.476 398 HA GLN 52 HA GLN 52 -10.441 -0.088 4.502 399 1HB GLN 52 HB2 GLN 52 -8.832 2.026 5.915 400 2HB GLN 52 HB1 GLN 52 -10.592 1.950 5.998 401 1HG GLN 52 HG2 GLN 52 -10.277 0.543 7.759 402 2HG GLN 52 HG1 GLN 52 -9.860 -0.663 6.541 403 1HE2 GLN 52 HE21 GLN 52 -7.885 -1.646 6.955 404 2HE2 GLN 52 HE22 GLN 52 -6.567 -0.909 7.730 405 H ASP 53 HN ASP 53 -12.034 1.288 3.707 406 HA ASP 53 HA ASP 53 -11.644 2.768 1.342 407 1HB ASP 53 HB2 ASP 53 -13.797 1.984 2.031 408 2HB ASP 53 HB1 ASP 53 -13.694 2.883 3.544 409 H GLY 54 HN GLY 54 -10.324 4.388 1.206 410 1HA GLY 54 HA2 GLY 54 -9.982 6.822 1.536 411 2HA GLY 54 HA1 GLY 54 -10.420 6.583 3.237 412 H ASP 55 HN ASP 55 -8.716 3.991 1.955 413 HA ASP 55 HA ASP 55 -6.580 4.030 3.751 414 1HB ASP 55 HB2 ASP 55 -7.106 2.068 2.561 415 2HB ASP 55 HB1 ASP 55 -6.968 2.877 1.000 416 H GLN 56 HN GLN 56 -4.759 5.280 3.899 417 HA GLN 56 HA GLN 56 -3.904 6.895 1.513 418 1HB GLN 56 HB2 GLN 56 -4.322 8.287 3.396 419 2HB GLN 56 HB1 GLN 56 -3.642 7.113 4.521 420 1HG GLN 56 HG2 GLN 56 -1.830 8.482 4.432 421 2HG GLN 56 HG1 GLN 56 -1.468 7.588 2.964 422 1HE2 GLN 56 HE21 GLN 56 -0.509 9.368 1.807 423 2HE2 GLN 56 HE22 GLN 56 -1.402 10.729 1.325 424 H ILE 57 HN ILE 57 -1.708 6.664 0.811 425 HA ILE 57 HA ILE 57 -0.127 4.562 2.228 426 HB ILE 57 HB ILE 57 -0.937 4.715 -0.664 427 1HG1 ILE 57 HG12 ILE 57 -1.235 2.478 1.346 428 2HG1 ILE 57 HG11 ILE 57 -2.501 3.659 0.998 429 1HG2 ILE 57 HG21 ILE 57 1.281 3.232 0.695 430 2HG2 ILE 57 HG22 ILE 57 1.278 4.038 -0.873 431 3HG2 ILE 57 HG23 ILE 57 0.456 2.491 -0.676 432 1HD1 ILE 57 HD11 ILE 57 -1.715 2.867 -1.524 433 2HD1 ILE 57 HD12 ILE 57 -3.127 2.256 -0.663 434 3HD1 ILE 57 HD13 ILE 57 -1.603 1.369 -0.600 435 H LEU 58 HN LEU 58 2.068 4.753 2.057 436 HA LEU 58 HA LEU 58 3.162 7.109 0.585 437 1HB LEU 58 HB2 LEU 58 3.515 5.963 3.224 438 2HB LEU 58 HB1 LEU 58 5.058 6.158 2.397 439 HG LEU 58 HG LEU 58 4.184 8.537 1.819 440 1HD1 LEU 58 HD11 LEU 58 2.510 8.015 4.284 441 2HD1 LEU 58 HD12 LEU 58 1.848 7.915 2.652 442 3HD1 LEU 58 HD13 LEU 58 2.498 9.443 3.248 443 1HD2 LEU 58 HD21 LEU 58 5.603 9.211 3.452 444 2HD2 LEU 58 HD22 LEU 58 5.734 7.507 3.885 445 3HD2 LEU 58 HD23 LEU 58 4.578 8.542 4.722 446 H LEU 59 HN LEU 59 4.976 6.570 -0.874 447 HA LEU 59 HA LEU 59 5.210 3.603 -1.232 448 1HB LEU 59 HB2 LEU 59 4.032 4.955 -2.986 449 2HB LEU 59 HB1 LEU 59 5.543 5.815 -3.279 450 HG LEU 59 HG LEU 59 5.021 3.812 -4.817 451 1HD1 LEU 59 HD11 LEU 59 7.333 4.957 -4.134 452 2HD1 LEU 59 HD12 LEU 59 7.287 3.523 -5.159 453 3HD1 LEU 59 HD13 LEU 59 7.634 3.365 -3.437 454 1HD2 LEU 59 HD21 LEU 59 4.382 2.421 -2.696 455 2HD2 LEU 59 HD22 LEU 59 6.121 2.181 -2.533 456 3HD2 LEU 59 HD23 LEU 59 5.287 1.627 -3.985 457 H PHE 60 HN PHE 60 7.131 2.718 -0.968 458 HA PHE 60 HA PHE 60 9.600 4.406 -1.188 459 1HB PHE 60 HB2 PHE 60 8.947 2.006 0.563 460 2HB PHE 60 HB1 PHE 60 10.494 2.851 0.544 461 HD1 PHE 60 HD1 PHE 60 10.533 5.321 1.143 462 HD2 PHE 60 HD2 PHE 60 7.132 2.813 1.883 463 HE1 PHE 60 HE1 PHE 60 9.683 6.964 2.794 464 HE2 PHE 60 HE2 PHE 60 6.284 4.445 3.528 465 HZ PHE 60 HZ PHE 60 7.553 6.526 3.989 466 H GLN 61 HN GLN 61 10.707 3.753 -3.048 467 HA GLN 61 HA GLN 61 10.210 1.007 -4.084 468 1HB GLN 61 HB2 GLN 61 10.006 3.092 -5.486 469 2HB GLN 61 HB1 GLN 61 11.742 3.335 -5.281 470 1HG GLN 61 HG2 GLN 61 11.736 0.752 -6.091 471 2HG GLN 61 HG1 GLN 61 10.295 1.333 -6.927 472 1HE2 GLN 61 HE21 GLN 61 13.580 0.985 -7.355 473 2HE2 GLN 61 HE22 GLN 61 13.848 2.227 -8.481 474 H VAL 62 HN VAL 62 11.651 -0.567 -3.596 475 HA VAL 62 HA VAL 62 13.656 -1.636 -2.986 476 HB VAL 62 HB VAL 62 14.538 0.693 -4.696 477 1HG1 VAL 62 HG11 VAL 62 16.416 -0.006 -3.251 478 2HG1 VAL 62 HG12 VAL 62 16.698 -0.496 -4.921 479 3HG1 VAL 62 HG13 VAL 62 16.165 -1.684 -3.732 480 1HG2 VAL 62 HG21 VAL 62 14.997 -1.537 -6.127 481 2HG2 VAL 62 HG22 VAL 62 13.426 -0.737 -6.122 482 3HG2 VAL 62 HG23 VAL 62 13.703 -2.143 -5.094 483 H ILE 63 HN ILE 63 15.395 -1.548 -1.493 484 HA ILE 63 HA ILE 63 15.563 0.966 0.128 485 HB ILE 63 HB ILE 63 15.628 -1.979 0.856 486 1HG1 ILE 63 HG12 ILE 63 13.964 -0.604 2.591 487 2HG1 ILE 63 HG11 ILE 63 13.712 0.237 1.060 488 1HG2 ILE 63 HG21 ILE 63 16.271 0.406 2.618 489 2HG2 ILE 63 HG22 ILE 63 17.441 -0.784 2.048 490 3HG2 ILE 63 HG23 ILE 63 16.155 -1.270 3.153 491 1HD1 ILE 63 HD11 ILE 63 12.360 -1.997 1.708 492 2HD1 ILE 63 HD12 ILE 63 13.773 -2.738 0.957 493 3HD1 ILE 63 HD13 ILE 63 12.783 -1.600 0.043 494 H ALA 64 HN ALA 64 17.388 1.764 -0.956 495 HA ALA 64 HA ALA 64 19.784 -0.022 -0.991 496 1HB ALA 64 HB1 ALA 64 20.178 2.066 -2.773 497 2HB ALA 64 HB2 ALA 64 18.441 1.771 -2.872 498 3HB ALA 64 HB3 ALA 64 19.578 0.461 -3.193 499 H GLY 65 HN GLY 65 21.180 0.566 0.623 500 1HA GLY 65 HA2 GLY 65 22.830 2.287 1.326 501 2HA GLY 65 HA1 GLY 65 21.544 3.485 1.160 502 H GLY 66 HN GLY 66 23.113 2.877 3.578 503 1HA GLY 66 HA2 GLY 66 21.004 1.694 5.328 504 2HA GLY 66 HA1 GLY 66 22.708 1.842 5.764 Start of MODEL 6 1 1H MET 1 HT1 MET 1 15.196 0.913 2.342 2 2H MET 1 HT2 MET 1 14.290 1.505 3.651 3 3H MET 1 HT3 MET 1 15.246 2.564 2.729 4 HA MET 1 HA MET 1 13.823 2.181 0.782 5 1HB MET 1 HB2 MET 1 13.314 -0.153 2.019 6 2HB MET 1 HB1 MET 1 11.884 0.757 2.516 7 1HG MET 1 HG2 MET 1 12.685 0.959 -0.329 8 2HG MET 1 HG1 MET 1 12.001 -0.558 0.206 9 1HE MET 1 HE1 MET 1 9.539 -0.810 -0.639 10 2HE MET 1 HE2 MET 1 10.607 0.043 -1.743 11 3HE MET 1 HE3 MET 1 8.967 0.632 -1.485 12 H GLN 2 HN GLN 2 11.791 3.329 0.535 13 HA GLN 2 HA GLN 2 10.632 4.571 2.931 14 1HB GLN 2 HB2 GLN 2 12.514 5.999 2.433 15 2HB GLN 2 HB1 GLN 2 12.043 6.077 0.735 16 1HG GLN 2 HG2 GLN 2 9.859 7.104 1.476 17 2HG GLN 2 HG1 GLN 2 10.532 7.213 3.104 18 1HE2 GLN 2 HE21 GLN 2 9.960 9.214 0.631 19 2HE2 GLN 2 HE22 GLN 2 11.335 10.208 0.685 20 H ILE 3 HN ILE 3 8.635 5.492 2.545 21 HA ILE 3 HA ILE 3 7.603 5.237 -0.185 22 HB ILE 3 HB ILE 3 6.141 3.564 0.414 23 1HG1 ILE 3 HG12 ILE 3 6.223 4.901 3.048 24 2HG1 ILE 3 HG11 ILE 3 4.844 4.263 2.170 25 1HG2 ILE 3 HG21 ILE 3 8.470 2.722 0.657 26 2HG2 ILE 3 HG22 ILE 3 7.389 1.891 1.774 27 3HG2 ILE 3 HG23 ILE 3 8.447 3.171 2.362 28 1HD1 ILE 3 HD11 ILE 3 5.296 2.973 4.251 29 2HD1 ILE 3 HD12 ILE 3 6.902 2.580 3.644 30 3HD1 ILE 3 HD13 ILE 3 5.473 1.965 2.814 31 H LEU 4 HN LEU 4 5.190 5.893 -0.086 32 HA LEU 4 HA LEU 4 4.791 8.075 1.937 33 1HB LEU 4 HB2 LEU 4 5.384 8.878 -0.387 34 2HB LEU 4 HB1 LEU 4 3.979 8.003 -0.998 35 HG LEU 4 HG LEU 4 3.609 10.507 -0.462 36 1HD1 LEU 4 HD11 LEU 4 1.413 10.003 -0.190 37 2HD1 LEU 4 HD12 LEU 4 1.726 8.954 1.196 38 3HD1 LEU 4 HD13 LEU 4 1.958 8.346 -0.444 39 1HD2 LEU 4 HD21 LEU 4 4.898 10.102 1.785 40 2HD2 LEU 4 HD22 LEU 4 3.335 9.523 2.339 41 3HD2 LEU 4 HD23 LEU 4 3.503 11.178 1.760 42 H PHE 5 HN PHE 5 3.297 7.134 3.210 43 HA PHE 5 HA PHE 5 1.101 5.626 1.891 44 1HB PHE 5 HB2 PHE 5 2.429 4.444 3.589 45 2HB PHE 5 HB1 PHE 5 2.138 5.728 4.752 46 HD1 PHE 5 HD1 PHE 5 -0.364 6.258 5.310 47 HD2 PHE 5 HD2 PHE 5 0.979 2.614 3.477 48 HE1 PHE 5 HE1 PHE 5 -2.454 5.130 6.021 49 HE2 PHE 5 HE2 PHE 5 -1.113 1.486 4.187 50 HZ PHE 5 HZ PHE 5 -2.828 2.744 5.461 51 H ASN 6 HN ASN 6 -0.446 7.200 1.386 52 HA ASN 6 HA ASN 6 -2.027 8.866 1.759 53 1HB ASN 6 HB2 ASN 6 -2.407 7.204 3.712 54 2HB ASN 6 HB1 ASN 6 -1.559 8.392 4.703 55 1HD2 ASN 6 HD21 ASN 6 -3.010 9.718 5.768 56 2HD2 ASN 6 HD22 ASN 6 -4.495 10.253 5.146 57 H ASP 7 HN ASP 7 0.164 9.865 1.081 58 HA ASP 7 HA ASP 7 1.558 11.745 1.108 59 1HB ASP 7 HB2 ASP 7 -0.190 13.039 3.125 60 2HB ASP 7 HB1 ASP 7 0.420 13.662 1.595 61 H GLN 8 HN GLN 8 1.707 9.590 3.285 62 HA GLN 8 HA GLN 8 3.272 11.184 5.296 63 1HB GLN 8 HB2 GLN 8 2.063 10.014 6.781 64 2HB GLN 8 HB1 GLN 8 1.214 9.231 5.466 65 1HG GLN 8 HG2 GLN 8 2.524 7.322 5.579 66 2HG GLN 8 HG1 GLN 8 3.912 8.179 6.242 67 1HE2 GLN 8 HE21 GLN 8 1.362 6.104 7.112 68 2HE2 GLN 8 HE22 GLN 8 1.386 6.382 8.788 69 H ALA 9 HN ALA 9 5.477 10.839 5.185 70 HA ALA 9 HA ALA 9 6.476 8.854 3.292 71 1HB ALA 9 HB1 ALA 9 8.632 9.852 4.691 72 2HB ALA 9 HB2 ALA 9 7.440 11.142 4.860 73 3HB ALA 9 HB3 ALA 9 7.926 10.591 3.256 74 H MET 10 HN MET 10 7.637 7.002 3.786 75 HA MET 10 HA MET 10 7.740 6.091 6.664 76 1HB MET 10 HB2 MET 10 5.814 5.332 4.928 77 2HB MET 10 HB1 MET 10 7.090 4.203 4.496 78 1HG MET 10 HG2 MET 10 6.091 2.972 6.132 79 2HG MET 10 HG1 MET 10 7.218 3.889 7.122 80 1HE MET 10 HE1 MET 10 3.975 4.427 5.239 81 2HE MET 10 HE2 MET 10 2.763 4.682 6.492 82 3HE MET 10 HE3 MET 10 3.528 3.104 6.325 83 H GLN 11 HN GLN 11 8.785 3.759 6.569 84 HA GLN 11 HA GLN 11 10.837 3.448 4.491 85 1HB GLN 11 HB2 GLN 11 11.896 2.806 7.109 86 2HB GLN 11 HB1 GLN 11 12.618 3.773 5.835 87 1HG GLN 11 HG2 GLN 11 11.255 5.720 6.561 88 2HG GLN 11 HG1 GLN 11 10.593 4.747 7.876 89 1HE2 GLN 11 HE21 GLN 11 11.844 4.595 9.794 90 2HE2 GLN 11 HE22 GLN 11 13.420 5.204 9.943 91 H CYS 12 HN CYS 12 10.577 1.444 3.860 92 HA CYS 12 HA CYS 12 9.909 -0.722 5.826 93 1HB CYS 12 HB2 CYS 12 8.119 -1.477 4.396 94 2HB CYS 12 HB1 CYS 12 7.889 0.248 4.693 95 HG CYS 12 HG CYS 12 8.943 0.715 2.325 96 H ALA 13 HN ALA 13 9.508 -2.700 3.849 97 HA ALA 13 HA ALA 13 12.291 -3.338 3.227 98 1HB ALA 13 HB1 ALA 13 10.699 -5.433 2.392 99 2HB ALA 13 HB2 ALA 13 9.732 -4.689 3.664 100 3HB ALA 13 HB3 ALA 13 11.365 -5.254 4.014 101 H ALA 14 HN ALA 14 12.955 -2.287 1.292 102 HA ALA 14 HA ALA 14 11.356 -1.865 -1.004 103 1HB ALA 14 HB1 ALA 14 13.538 -0.895 -0.780 104 2HB ALA 14 HB2 ALA 14 13.576 -1.952 -2.192 105 3HB ALA 14 HB3 ALA 14 14.290 -2.486 -0.669 106 H GLY 15 HN GLY 15 10.653 -3.174 -2.586 107 1HA GLY 15 HA2 GLY 15 10.692 -5.050 -4.058 108 2HA GLY 15 HA1 GLY 15 11.813 -5.829 -2.952 109 H GLN 16 HN GLN 16 9.627 -4.698 -0.858 110 HA GLN 16 HA GLN 16 8.225 -7.281 -0.777 111 1HB GLN 16 HB2 GLN 16 8.341 -6.851 1.431 112 2HB GLN 16 HB1 GLN 16 9.377 -5.506 0.991 113 1HG GLN 16 HG2 GLN 16 6.423 -5.058 0.935 114 2HG GLN 16 HG1 GLN 16 7.220 -5.158 2.493 115 1HE2 GLN 16 HE21 GLN 16 8.016 -3.651 -0.675 116 2HE2 GLN 16 HE22 GLN 16 8.444 -2.149 -0.013 117 H THR 17 HN THR 17 6.147 -7.465 -1.705 118 HA THR 17 HA THR 17 4.823 -5.446 -3.089 119 HB THR 17 HB THR 17 2.940 -6.843 -3.080 120 HG1 THR 17 HG1 THR 17 2.339 -8.025 -1.373 121 1HG2 THR 17 HG21 THR 17 3.751 -8.907 -3.639 122 2HG2 THR 17 HG22 THR 17 4.870 -8.956 -2.277 123 3HG2 THR 17 HG23 THR 17 5.241 -7.966 -3.690 124 H VAL 18 HN VAL 18 2.346 -5.261 -2.268 125 HA VAL 18 HA VAL 18 2.273 -3.142 -0.259 126 HB VAL 18 HB VAL 18 0.227 -4.801 -1.657 127 1HG1 VAL 18 HG11 VAL 18 -1.142 -2.701 -1.405 128 2HG1 VAL 18 HG12 VAL 18 0.104 -2.155 -0.281 129 3HG1 VAL 18 HG13 VAL 18 -0.825 -3.614 0.070 130 1HG2 VAL 18 HG21 VAL 18 1.372 -2.166 -2.529 131 2HG2 VAL 18 HG22 VAL 18 0.305 -3.224 -3.451 132 3HG2 VAL 18 HG23 VAL 18 1.962 -3.718 -3.119 133 H HIS 19 HN HIS 19 0.743 -6.325 -0.735 134 HA HIS 19 HA HIS 19 -0.380 -6.737 1.824 135 1HB HIS 19 HB2 HIS 19 -0.458 -8.154 -0.310 136 2HB HIS 19 HB1 HIS 19 1.185 -8.664 0.060 137 HD1 HIS 19 HD1 HIS 19 -1.873 -10.162 0.234 138 HD2 HIS 19 HD2 HIS 19 0.914 -9.379 3.233 139 HE1 HIS 19 HE1 HIS 19 -2.370 -11.781 2.116 140 H GLU 20 HN GLU 20 2.809 -6.706 0.496 141 HA GLU 20 HA GLU 20 4.142 -7.787 2.918 142 1HB GLU 20 HB2 GLU 20 4.939 -6.749 0.216 143 2HB GLU 20 HB1 GLU 20 6.164 -7.014 1.456 144 1HG GLU 20 HG2 GLU 20 4.501 -9.301 1.489 145 2HG GLU 20 HG1 GLU 20 4.837 -8.963 -0.209 146 H LEU 21 HN LEU 21 3.661 -4.634 1.305 147 HA LEU 21 HA LEU 21 5.326 -3.178 3.199 148 1HB LEU 21 HB2 LEU 21 4.726 -2.374 0.927 149 2HB LEU 21 HB1 LEU 21 3.032 -2.274 1.417 150 HG LEU 21 HG LEU 21 4.259 -0.879 3.427 151 1HD1 LEU 21 HD11 LEU 21 5.580 0.369 1.098 152 2HD1 LEU 21 HD12 LEU 21 6.296 -1.156 1.621 153 3HD1 LEU 21 HD13 LEU 21 6.152 0.186 2.757 154 1HD2 LEU 21 HD21 LEU 21 3.633 1.152 1.860 155 2HD2 LEU 21 HD22 LEU 21 2.372 0.088 2.485 156 3HD2 LEU 21 HD23 LEU 21 2.963 -0.118 0.836 157 H LEU 22 HN LEU 22 1.785 -3.348 2.768 158 HA LEU 22 HA LEU 22 0.832 -2.038 5.001 159 1HB LEU 22 HB2 LEU 22 0.068 -4.588 3.578 160 2HB LEU 22 HB1 LEU 22 -0.916 -3.967 4.906 161 HG LEU 22 HG LEU 22 -0.093 -2.240 2.579 162 1HD1 LEU 22 HD11 LEU 22 -2.071 -2.781 1.437 163 2HD1 LEU 22 HD12 LEU 22 -2.794 -3.547 2.852 164 3HD1 LEU 22 HD13 LEU 22 -1.486 -4.353 1.983 165 1HD2 LEU 22 HD21 LEU 22 -0.782 -1.073 4.570 166 2HD2 LEU 22 HD22 LEU 22 -2.189 -2.120 4.750 167 3HD2 LEU 22 HD23 LEU 22 -2.103 -0.982 3.405 168 H GLU 23 HN GLU 23 1.682 -5.470 4.844 169 HA GLU 23 HA GLU 23 1.361 -6.189 7.551 170 1HB GLU 23 HB2 GLU 23 2.015 -7.540 5.479 171 2HB GLU 23 HB1 GLU 23 3.662 -6.975 5.750 172 1HG GLU 23 HG2 GLU 23 3.974 -8.334 7.547 173 2HG GLU 23 HG1 GLU 23 2.320 -8.119 8.123 174 H GLN 24 HN GLN 24 4.318 -4.902 5.970 175 HA GLN 24 HA GLN 24 5.895 -4.709 8.350 176 1HB GLN 24 HB2 GLN 24 6.646 -4.634 5.944 177 2HB GLN 24 HB1 GLN 24 5.972 -3.008 5.836 178 1HG GLN 24 HG2 GLN 24 8.435 -3.033 6.328 179 2HG GLN 24 HG1 GLN 24 7.480 -2.205 7.558 180 1HE2 GLN 24 HE21 GLN 24 7.776 -5.751 7.137 181 2HE2 GLN 24 HE22 GLN 24 8.498 -6.029 8.648 182 H LEU 25 HN LEU 25 3.720 -2.412 6.713 183 HA LEU 25 HA LEU 25 4.192 -0.177 8.457 184 1HB LEU 25 HB2 LEU 25 1.821 -1.025 6.752 185 2HB LEU 25 HB1 LEU 25 2.075 0.595 7.391 186 HG LEU 25 HG LEU 25 3.594 -0.846 5.233 187 1HD1 LEU 25 HD11 LEU 25 3.380 1.661 4.390 188 2HD1 LEU 25 HD12 LEU 25 2.077 1.709 5.578 189 3HD1 LEU 25 HD13 LEU 25 2.023 0.543 4.256 190 1HD2 LEU 25 HD21 LEU 25 5.046 1.416 5.526 191 2HD2 LEU 25 HD22 LEU 25 5.510 -0.124 6.248 192 3HD2 LEU 25 HD23 LEU 25 4.666 1.086 7.215 193 H ASP 26 HN ASP 26 2.342 -3.081 8.592 194 HA ASP 26 HA ASP 26 1.346 -4.136 10.461 195 1HB ASP 26 HB2 ASP 26 2.741 -2.524 11.835 196 2HB ASP 26 HB1 ASP 26 1.399 -1.391 11.723 197 H GLN 27 HN GLN 27 0.077 -2.949 8.171 198 HA GLN 27 HA GLN 27 -2.571 -2.192 9.363 199 1HB GLN 27 HB2 GLN 27 -1.588 -1.454 6.603 200 2HB GLN 27 HB1 GLN 27 -2.816 -0.652 7.584 201 1HG GLN 27 HG2 GLN 27 -0.457 -0.602 9.139 202 2HG GLN 27 HG1 GLN 27 0.047 -0.170 7.506 203 1HE2 GLN 27 HE21 GLN 27 -2.662 1.023 6.870 204 2HE2 GLN 27 HE22 GLN 27 -2.717 2.492 7.716 205 H ARG 28 HN ARG 28 -3.668 -4.152 9.264 206 HA ARG 28 HA ARG 28 -3.257 -6.061 7.106 207 1HB ARG 28 HB2 ARG 28 -5.102 -5.776 9.473 208 2HB ARG 28 HB1 ARG 28 -5.289 -7.108 8.328 209 1HG ARG 28 HG2 ARG 28 -2.518 -6.601 9.248 210 2HG ARG 28 HG1 ARG 28 -3.624 -7.215 10.479 211 1HD ARG 28 HD2 ARG 28 -3.755 -8.565 7.828 212 2HD ARG 28 HD1 ARG 28 -2.297 -8.864 8.797 213 HE ARG 28 HE ARG 28 -4.780 -9.021 10.337 214 1HH1 ARG 28 HH21 ARG 28 -3.847 -10.850 7.750 215 2HH1 ARG 28 HH22 ARG 28 -3.639 -12.335 8.617 216 1HH2 ARG 28 HH11 ARG 28 -3.933 -10.853 11.742 217 2HH2 ARG 28 HH12 ARG 28 -3.694 -12.338 10.883 218 H GLN 29 HN GLN 29 -4.785 -3.179 7.052 219 HA GLN 29 HA GLN 29 -6.525 -2.203 5.827 220 1HB GLN 29 HB2 GLN 29 -6.327 -2.773 3.512 221 2HB GLN 29 HB1 GLN 29 -4.727 -3.011 4.201 222 1HG GLN 29 HG2 GLN 29 -4.794 -5.244 3.887 223 2HG GLN 29 HG1 GLN 29 -6.490 -5.363 4.320 224 1HE2 GLN 29 HE21 GLN 29 -7.877 -3.943 2.524 225 2HE2 GLN 29 HE22 GLN 29 -7.550 -4.425 0.930 226 H ALA 30 HN ALA 30 -7.376 -4.044 7.691 227 HA ALA 30 HA ALA 30 -8.940 -6.174 7.285 228 1HB ALA 30 HB1 ALA 30 -10.348 -5.212 9.018 229 2HB ALA 30 HB2 ALA 30 -9.893 -3.580 8.525 230 3HB ALA 30 HB3 ALA 30 -8.697 -4.644 9.264 231 H GLY 31 HN GLY 31 -9.637 -2.949 6.049 232 1HA GLY 31 HA2 GLY 31 -11.338 -4.006 3.924 233 2HA GLY 31 HA1 GLY 31 -12.205 -3.001 5.093 234 H ALA 32 HN ALA 32 -9.429 -2.968 2.829 235 HA ALA 32 HA ALA 32 -9.864 -0.022 2.568 236 1HB ALA 32 HB1 ALA 32 -7.526 0.408 2.961 237 2HB ALA 32 HB2 ALA 32 -7.162 -1.311 2.964 238 3HB ALA 32 HB3 ALA 32 -8.096 -0.611 4.284 239 H ALA 33 HN ALA 33 -8.432 0.910 0.879 240 HA ALA 33 HA ALA 33 -7.490 -0.855 -1.294 241 1HB ALA 33 HB1 ALA 33 -9.964 0.788 -1.305 242 2HB ALA 33 HB2 ALA 33 -9.548 -0.615 -2.286 243 3HB ALA 33 HB3 ALA 33 -8.937 0.978 -2.726 244 H LEU 34 HN LEU 34 -5.972 0.454 -2.696 245 HA LEU 34 HA LEU 34 -5.432 3.177 -1.649 246 1HB LEU 34 HB2 LEU 34 -3.728 2.446 -0.365 247 2HB LEU 34 HB1 LEU 34 -4.126 0.796 -0.816 248 HG LEU 34 HG LEU 34 -2.275 2.627 -2.383 249 1HD1 LEU 34 HD11 LEU 34 -1.676 1.505 0.002 250 2HD1 LEU 34 HD12 LEU 34 -0.490 1.697 -1.289 251 3HD1 LEU 34 HD13 LEU 34 -1.302 0.149 -1.064 252 1HD2 LEU 34 HD21 LEU 34 -2.334 1.079 -4.024 253 2HD2 LEU 34 HD22 LEU 34 -3.665 0.298 -3.171 254 3HD2 LEU 34 HD23 LEU 34 -2.005 -0.213 -2.870 255 H ALA 35 HN ALA 35 -3.824 4.395 -2.958 256 HA ALA 35 HA ALA 35 -3.590 3.270 -5.732 257 1HB ALA 35 HB1 ALA 35 -4.503 5.190 -6.552 258 2HB ALA 35 HB2 ALA 35 -3.597 6.202 -5.429 259 3HB ALA 35 HB3 ALA 35 -5.097 5.434 -4.910 260 H ILE 36 HN ILE 36 -1.486 2.810 -6.058 261 HA ILE 36 HA ILE 36 0.577 4.406 -4.625 262 HB ILE 36 HB ILE 36 0.713 1.840 -6.231 263 1HG1 ILE 36 HG12 ILE 36 0.718 2.386 -3.253 264 2HG1 ILE 36 HG11 ILE 36 -0.574 1.606 -4.160 265 1HG2 ILE 36 HG21 ILE 36 2.806 3.507 -5.758 266 2HG2 ILE 36 HG22 ILE 36 2.966 1.752 -5.821 267 3HG2 ILE 36 HG23 ILE 36 2.814 2.567 -4.266 268 1HD1 ILE 36 HD11 ILE 36 0.459 -0.360 -3.776 269 2HD1 ILE 36 HD12 ILE 36 1.878 0.453 -3.115 270 3HD1 ILE 36 HD13 ILE 36 1.742 0.190 -4.854 271 H ASN 37 HN ASN 37 2.012 5.737 -5.695 272 HA ASN 37 HA ASN 37 2.874 7.034 -7.475 273 1HB ASN 37 HB2 ASN 37 2.327 4.314 -8.679 274 2HB ASN 37 HB1 ASN 37 2.989 5.618 -9.664 275 1HD2 ASN 37 HD21 ASN 37 4.101 2.979 -8.221 276 2HD2 ASN 37 HD22 ASN 37 5.585 3.526 -7.606 277 H GLN 38 HN GLN 38 -0.044 6.876 -6.801 278 HA GLN 38 HA GLN 38 -1.945 8.064 -7.510 279 1HB GLN 38 HB2 GLN 38 -1.592 9.698 -9.073 280 2HB GLN 38 HB1 GLN 38 0.088 9.214 -8.888 281 1HG GLN 38 HG2 GLN 38 0.017 8.963 -11.147 282 2HG GLN 38 HG1 GLN 38 -0.763 7.425 -10.782 283 1HE2 GLN 38 HE21 GLN 38 -1.328 8.919 -13.189 284 2HE2 GLN 38 HE22 GLN 38 -2.948 9.423 -13.117 285 H GLN 39 HN GLN 39 -1.016 5.161 -8.396 286 HA GLN 39 HA GLN 39 -3.195 4.813 -10.414 287 1HB GLN 39 HB2 GLN 39 -2.035 2.887 -11.145 288 2HB GLN 39 HB1 GLN 39 -0.733 4.004 -10.755 289 1HG GLN 39 HG2 GLN 39 -0.912 2.847 -8.370 290 2HG GLN 39 HG1 GLN 39 -1.618 1.540 -9.312 291 1HE2 GLN 39 HE21 GLN 39 1.035 1.503 -7.987 292 2HE2 GLN 39 HE22 GLN 39 2.177 1.267 -9.216 293 H ILE 40 HN ILE 40 -5.096 4.343 -9.349 294 HA ILE 40 HA ILE 40 -5.105 3.224 -6.675 295 HB ILE 40 HB ILE 40 -7.191 3.718 -8.818 296 1HG1 ILE 40 HG12 ILE 40 -8.000 5.275 -6.908 297 2HG1 ILE 40 HG11 ILE 40 -6.409 5.007 -6.202 298 1HG2 ILE 40 HG21 ILE 40 -8.269 1.965 -7.759 299 2HG2 ILE 40 HG22 ILE 40 -8.728 3.276 -6.671 300 3HG2 ILE 40 HG23 ILE 40 -7.394 2.203 -6.247 301 1HD1 ILE 40 HD11 ILE 40 -6.980 6.963 -8.036 302 2HD1 ILE 40 HD12 ILE 40 -6.365 5.679 -9.074 303 3HD1 ILE 40 HD13 ILE 40 -5.368 6.301 -7.760 304 H VAL 41 HN VAL 41 -4.139 1.211 -6.611 305 HA VAL 41 HA VAL 41 -4.812 -0.862 -8.602 306 HB VAL 41 HB VAL 41 -3.174 -0.872 -6.059 307 1HG1 VAL 41 HG11 VAL 41 -4.082 -3.094 -6.867 308 2HG1 VAL 41 HG12 VAL 41 -2.322 -3.001 -6.794 309 3HG1 VAL 41 HG13 VAL 41 -3.151 -2.859 -8.345 310 1HG2 VAL 41 HG21 VAL 41 -1.989 0.537 -7.500 311 2HG2 VAL 41 HG22 VAL 41 -2.605 -0.262 -8.946 312 3HG2 VAL 41 HG23 VAL 41 -1.344 -1.032 -7.982 313 HA PRO 42 HA PRO 42 -7.826 -2.531 -5.967 314 1HB PRO 42 HB2 PRO 42 -8.010 -5.014 -7.055 315 2HB PRO 42 HB1 PRO 42 -8.725 -3.557 -7.746 316 1HG PRO 42 HG2 PRO 42 -6.367 -5.088 -8.610 317 2HG PRO 42 HG1 PRO 42 -7.451 -4.064 -9.560 318 1HD PRO 42 HD2 PRO 42 -4.902 -3.379 -8.612 319 2HD PRO 42 HD1 PRO 42 -6.097 -2.274 -9.320 320 H ARG 43 HN ARG 43 -7.487 -3.180 -4.080 321 HA ARG 43 HA ARG 43 -5.492 -3.940 -2.527 322 1HB ARG 43 HB2 ARG 43 -7.112 -5.572 -1.388 323 2HB ARG 43 HB1 ARG 43 -7.675 -3.922 -1.625 324 1HG ARG 43 HG2 ARG 43 -8.582 -4.964 -3.916 325 2HG ARG 43 HG1 ARG 43 -8.547 -6.441 -2.958 326 1HD ARG 43 HD2 ARG 43 -9.900 -3.886 -2.030 327 2HD ARG 43 HD1 ARG 43 -10.748 -5.227 -2.825 328 HE ARG 43 HE ARG 43 -9.540 -5.311 -0.129 329 1HH1 ARG 43 HH21 ARG 43 -12.256 -6.326 -1.415 330 2HH1 ARG 43 HH22 ARG 43 -12.060 -8.028 -1.157 331 1HH2 ARG 43 HH11 ARG 43 -8.687 -7.794 -0.389 332 2HH2 ARG 43 HH12 ARG 43 -10.043 -8.856 -0.568 333 H GLU 44 HN GLU 44 -7.225 -6.479 -4.300 334 HA GLU 44 HA GLU 44 -5.879 -8.744 -3.640 335 1HB GLU 44 HB2 GLU 44 -7.703 -8.791 -5.095 336 2HB GLU 44 HB1 GLU 44 -6.983 -7.597 -6.173 337 1HG GLU 44 HG2 GLU 44 -6.965 -9.992 -7.049 338 2HG GLU 44 HG1 GLU 44 -5.396 -9.188 -7.020 339 H GLN 45 HN GLN 45 -4.738 -6.414 -6.110 340 HA GLN 45 HA GLN 45 -2.381 -7.841 -6.836 341 1HB GLN 45 HB2 GLN 45 -3.199 -4.931 -6.832 342 2HB GLN 45 HB1 GLN 45 -1.632 -5.439 -7.457 343 1HG GLN 45 HG2 GLN 45 -4.286 -6.558 -8.409 344 2HG GLN 45 HG1 GLN 45 -3.394 -5.276 -9.231 345 1HE2 GLN 45 HE21 GLN 45 -3.780 -7.584 -10.703 346 2HE2 GLN 45 HE22 GLN 45 -2.337 -8.469 -10.810 347 H TRP 46 HN TRP 46 -2.988 -5.659 -4.104 348 HA TRP 46 HA TRP 46 -0.544 -4.901 -3.187 349 1HB TRP 46 HB2 TRP 46 -2.804 -6.298 -1.742 350 2HB TRP 46 HB1 TRP 46 -1.508 -5.448 -0.913 351 HD1 TRP 46 HD1 TRP 46 -2.484 -3.718 -4.070 352 HE1 TRP 46 HE1 TRP 46 -3.942 -1.657 -3.522 353 HE3 TRP 46 HE3 TRP 46 -3.459 -4.627 0.828 354 HZ2 TRP 46 HZ2 TRP 46 -5.346 -0.560 -1.255 355 HZ3 TRP 46 HZ3 TRP 46 -4.834 -3.058 2.152 356 HH2 TRP 46 HH2 TRP 46 -5.792 -1.031 1.111 357 H ALA 47 HN ALA 47 -1.766 -8.186 -3.289 358 HA ALA 47 HA ALA 47 0.358 -9.332 -1.654 359 1HB ALA 47 HB1 ALA 47 -1.815 -10.329 -3.488 360 2HB ALA 47 HB2 ALA 47 -1.826 -10.283 -1.724 361 3HB ALA 47 HB3 ALA 47 -0.770 -11.414 -2.573 362 H GLN 48 HN GLN 48 -0.072 -8.618 -5.045 363 HA GLN 48 HA GLN 48 2.482 -10.080 -5.647 364 1HB GLN 48 HB2 GLN 48 -0.046 -9.630 -7.264 365 2HB GLN 48 HB1 GLN 48 1.447 -10.249 -7.971 366 1HG GLN 48 HG2 GLN 48 1.397 -12.060 -6.175 367 2HG GLN 48 HG1 GLN 48 -0.246 -11.529 -5.816 368 1HE2 GLN 48 HE21 GLN 48 0.437 -14.163 -6.910 369 2HE2 GLN 48 HE22 GLN 48 -0.283 -14.266 -8.444 370 H HIS 49 HN HIS 49 1.441 -7.202 -4.916 371 HA HIS 49 HA HIS 49 2.494 -5.671 -7.223 372 1HB HIS 49 HB2 HIS 49 0.288 -5.217 -6.151 373 2HB HIS 49 HB1 HIS 49 1.131 -4.857 -4.644 374 HD1 HIS 49 HD1 HIS 49 -0.540 -2.740 -6.323 375 HD2 HIS 49 HD2 HIS 49 3.604 -3.156 -6.410 376 HE1 HIS 49 HE1 HIS 49 0.385 -0.515 -7.100 377 H ILE 50 HN ILE 50 4.770 -6.426 -6.653 378 HA ILE 50 HA ILE 50 6.100 -5.951 -4.245 379 HB ILE 50 HB ILE 50 7.018 -5.633 -7.115 380 1HG1 ILE 50 HG12 ILE 50 6.087 -7.862 -6.391 381 2HG1 ILE 50 HG11 ILE 50 7.778 -7.914 -6.888 382 1HG2 ILE 50 HG21 ILE 50 8.644 -4.526 -5.789 383 2HG2 ILE 50 HG22 ILE 50 9.284 -6.156 -6.005 384 3HG2 ILE 50 HG23 ILE 50 8.504 -5.706 -4.488 385 1HD1 ILE 50 HD11 ILE 50 7.566 -7.314 -4.058 386 2HD1 ILE 50 HD12 ILE 50 8.420 -8.637 -4.853 387 3HD1 ILE 50 HD13 ILE 50 6.716 -8.812 -4.444 388 H VAL 51 HN VAL 51 6.524 -4.148 -3.166 389 HA VAL 51 HA VAL 51 5.845 -1.493 -4.257 390 HB VAL 51 HB VAL 51 6.954 -2.433 -1.595 391 1HG1 VAL 51 HG11 VAL 51 5.967 0.166 -2.650 392 2HG1 VAL 51 HG12 VAL 51 7.193 -0.154 -1.423 393 3HG1 VAL 51 HG13 VAL 51 5.482 -0.268 -1.012 394 1HG2 VAL 51 HG21 VAL 51 4.754 -2.776 -0.884 395 2HG2 VAL 51 HG22 VAL 51 4.711 -3.384 -2.539 396 3HG2 VAL 51 HG23 VAL 51 4.083 -1.779 -2.172 397 H GLN 52 HN GLN 52 7.382 0.174 -4.602 398 HA GLN 52 HA GLN 52 10.195 -0.767 -4.892 399 1HB GLN 52 HB2 GLN 52 8.597 1.556 -5.966 400 2HB GLN 52 HB1 GLN 52 10.313 1.326 -6.297 401 1HG GLN 52 HG2 GLN 52 7.989 -0.415 -7.151 402 2HG GLN 52 HG1 GLN 52 9.213 0.344 -8.167 403 1HE2 GLN 52 HE21 GLN 52 8.335 -2.637 -7.121 404 2HE2 GLN 52 HE22 GLN 52 9.854 -3.391 -7.029 405 H ASP 53 HN ASP 53 11.929 0.390 -4.071 406 HA ASP 53 HA ASP 53 11.694 1.719 -1.615 407 1HB ASP 53 HB2 ASP 53 14.008 2.284 -2.009 408 2HB ASP 53 HB1 ASP 53 13.692 0.662 -2.620 409 H GLY 54 HN GLY 54 10.577 3.476 -1.312 410 1HA GLY 54 HA2 GLY 54 10.431 5.931 -1.473 411 2HA GLY 54 HA1 GLY 54 10.891 5.789 -3.180 412 H ASP 55 HN ASP 55 8.916 3.304 -2.069 413 HA ASP 55 HA ASP 55 6.878 3.411 -3.881 414 1HB ASP 55 HB2 ASP 55 7.116 1.598 -2.386 415 2HB ASP 55 HB1 ASP 55 6.944 2.636 -0.973 416 H GLN 56 HN GLN 56 4.856 4.409 -4.066 417 HA GLN 56 HA GLN 56 4.252 6.603 -2.113 418 1HB GLN 56 HB2 GLN 56 4.921 7.630 -4.162 419 2HB GLN 56 HB1 GLN 56 4.110 6.395 -5.128 420 1HG GLN 56 HG2 GLN 56 2.114 7.434 -5.003 421 2HG GLN 56 HG1 GLN 56 2.324 7.843 -3.305 422 1HE2 GLN 56 HE21 GLN 56 1.478 10.063 -3.967 423 2HE2 GLN 56 HE22 GLN 56 2.563 11.171 -4.661 424 H ILE 57 HN ILE 57 2.064 6.628 -1.387 425 HA ILE 57 HA ILE 57 0.251 4.582 -2.616 426 HB ILE 57 HB ILE 57 1.031 4.973 0.266 427 1HG1 ILE 57 HG12 ILE 57 1.176 2.530 -1.508 428 2HG1 ILE 57 HG11 ILE 57 2.543 3.590 -1.165 429 1HG2 ILE 57 HG21 ILE 57 -0.572 2.925 0.503 430 2HG2 ILE 57 HG22 ILE 57 -1.277 3.538 -0.994 431 3HG2 ILE 57 HG23 ILE 57 -1.257 4.550 0.449 432 1HD1 ILE 57 HD11 ILE 57 1.664 1.411 0.386 433 2HD1 ILE 57 HD12 ILE 57 1.192 2.853 1.284 434 3HD1 ILE 57 HD13 ILE 57 2.879 2.611 0.833 435 H LEU 58 HN LEU 58 -1.926 4.978 -2.428 436 HA LEU 58 HA LEU 58 -2.803 7.590 -1.266 437 1HB LEU 58 HB2 LEU 58 -2.856 6.900 -3.872 438 2HB LEU 58 HB1 LEU 58 -4.344 6.114 -3.355 439 HG LEU 58 HG LEU 58 -4.836 8.374 -4.150 440 1HD1 LEU 58 HD11 LEU 58 -5.125 8.902 -1.273 441 2HD1 LEU 58 HD12 LEU 58 -5.658 7.289 -1.745 442 3HD1 LEU 58 HD13 LEU 58 -6.366 8.710 -2.512 443 1HD2 LEU 58 HD21 LEU 58 -3.335 10.018 -3.815 444 2HD2 LEU 58 HD22 LEU 58 -2.396 8.968 -2.753 445 3HD2 LEU 58 HD23 LEU 58 -3.689 9.966 -2.088 446 H LEU 59 HN LEU 59 -4.014 7.095 0.636 447 HA LEU 59 HA LEU 59 -5.023 4.291 0.804 448 1HB LEU 59 HB2 LEU 59 -3.491 5.871 2.442 449 2HB LEU 59 HB1 LEU 59 -5.082 5.994 3.194 450 HG LEU 59 HG LEU 59 -3.839 4.073 4.108 451 1HD1 LEU 59 HD11 LEU 59 -5.815 2.656 2.419 452 2HD1 LEU 59 HD12 LEU 59 -6.439 4.068 3.274 453 3HD1 LEU 59 HD13 LEU 59 -5.694 2.749 4.176 454 1HD2 LEU 59 HD21 LEU 59 -3.853 2.194 2.049 455 2HD2 LEU 59 HD22 LEU 59 -2.431 3.028 2.677 456 3HD2 LEU 59 HD23 LEU 59 -3.277 3.666 1.267 457 H PHE 60 HN PHE 60 -7.108 3.859 0.673 458 HA PHE 60 HA PHE 60 -9.138 5.713 1.797 459 1HB PHE 60 HB2 PHE 60 -10.435 4.849 -0.449 460 2HB PHE 60 HB1 PHE 60 -9.612 6.398 -0.347 461 HD1 PHE 60 HD1 PHE 60 -9.233 2.859 -1.485 462 HD2 PHE 60 HD2 PHE 60 -7.675 6.860 -1.638 463 HE1 PHE 60 HE1 PHE 60 -7.747 2.216 -3.366 464 HE2 PHE 60 HE2 PHE 60 -6.191 6.209 -3.512 465 HZ PHE 60 HZ PHE 60 -6.235 3.890 -4.381 466 H GLN 61 HN GLN 61 -10.429 4.357 3.131 467 HA GLN 61 HA GLN 61 -10.667 1.534 2.206 468 1HB GLN 61 HB2 GLN 61 -9.864 0.791 4.433 469 2HB GLN 61 HB1 GLN 61 -8.659 1.740 3.571 470 1HG GLN 61 HG2 GLN 61 -8.559 3.119 5.342 471 2HG GLN 61 HG1 GLN 61 -10.217 3.607 4.995 472 1HE2 GLN 61 HE21 GLN 61 -10.624 3.793 7.346 473 2HE2 GLN 61 HE22 GLN 61 -10.849 2.402 8.292 474 H VAL 62 HN VAL 62 -11.966 0.208 3.628 475 HA VAL 62 HA VAL 62 -13.762 -0.260 5.088 476 HB VAL 62 HB VAL 62 -14.377 2.697 4.973 477 1HG1 VAL 62 HG11 VAL 62 -15.208 0.393 6.759 478 2HG1 VAL 62 HG12 VAL 62 -16.249 1.367 5.720 479 3HG1 VAL 62 HG13 VAL 62 -15.510 2.087 7.150 480 1HG2 VAL 62 HG21 VAL 62 -13.242 1.846 7.449 481 2HG2 VAL 62 HG22 VAL 62 -12.569 2.997 6.293 482 3HG2 VAL 62 HG23 VAL 62 -12.182 1.282 6.159 483 H ILE 63 HN ILE 63 -15.357 -1.281 4.189 484 HA ILE 63 HA ILE 63 -16.945 -0.013 1.990 485 HB ILE 63 HB ILE 63 -15.968 -2.841 2.521 486 1HG1 ILE 63 HG12 ILE 63 -15.281 -2.714 0.155 487 2HG1 ILE 63 HG11 ILE 63 -15.985 -1.102 0.033 488 1HG2 ILE 63 HG21 ILE 63 -18.541 -2.011 1.434 489 2HG2 ILE 63 HG22 ILE 63 -17.976 -3.625 1.864 490 3HG2 ILE 63 HG23 ILE 63 -17.617 -2.959 0.270 491 1HD1 ILE 63 HD11 ILE 63 -14.010 -1.589 2.220 492 2HD1 ILE 63 HD12 ILE 63 -14.315 -0.123 1.286 493 3HD1 ILE 63 HD13 ILE 63 -13.396 -1.447 0.572 494 H ALA 64 HN ALA 64 -18.451 0.823 3.510 495 HA ALA 64 HA ALA 64 -19.553 -1.097 5.484 496 1HB ALA 64 HB1 ALA 64 -18.569 1.368 5.746 497 2HB ALA 64 HB2 ALA 64 -19.855 0.763 6.790 498 3HB ALA 64 HB3 ALA 64 -20.248 1.795 5.415 499 H GLY 65 HN GLY 65 -21.348 -2.167 4.770 500 1HA GLY 65 HA2 GLY 65 -23.853 -1.447 4.411 501 2HA GLY 65 HA1 GLY 65 -23.210 -0.789 2.904 502 H GLY 66 HN GLY 66 -23.911 -2.167 1.321 503 1HA GLY 66 HA2 GLY 66 -22.792 -4.687 0.865 504 2HA GLY 66 HA1 GLY 66 -24.284 -5.002 1.751 Start of MODEL 7 1 1H MET 1 HT1 MET 1 14.549 0.871 3.271 2 2H MET 1 HT2 MET 1 15.580 1.134 1.948 3 3H MET 1 HT3 MET 1 14.897 -0.399 2.203 4 HA MET 1 HA MET 1 13.844 1.161 0.412 5 1HB MET 1 HB2 MET 1 13.116 -1.079 1.579 6 2HB MET 1 HB1 MET 1 11.980 -0.023 2.421 7 1HG MET 1 HG2 MET 1 11.539 0.892 0.032 8 2HG MET 1 HG1 MET 1 12.140 -0.678 -0.471 9 1HE MET 1 HE1 MET 1 9.936 0.244 -1.407 10 2HE MET 1 HE2 MET 1 8.357 -0.316 -0.873 11 3HE MET 1 HE3 MET 1 9.512 -1.465 -1.535 12 H GLN 2 HN GLN 2 12.028 2.613 0.263 13 HA GLN 2 HA GLN 2 11.109 3.959 2.703 14 1HB GLN 2 HB2 GLN 2 13.097 5.214 2.180 15 2HB GLN 2 HB1 GLN 2 12.639 5.302 0.477 16 1HG GLN 2 HG2 GLN 2 10.457 6.434 1.429 17 2HG GLN 2 HG1 GLN 2 11.474 6.766 2.827 18 1HE2 GLN 2 HE21 GLN 2 10.440 8.205 0.046 19 2HE2 GLN 2 HE22 GLN 2 11.779 9.193 -0.292 20 H ILE 3 HN ILE 3 9.180 4.970 2.409 21 HA ILE 3 HA ILE 3 8.022 4.848 -0.289 22 HB ILE 3 HB ILE 3 6.522 3.236 0.350 23 1HG1 ILE 3 HG12 ILE 3 6.684 4.595 2.978 24 2HG1 ILE 3 HG11 ILE 3 5.268 4.025 2.105 25 1HG2 ILE 3 HG21 ILE 3 8.842 2.318 0.644 26 2HG2 ILE 3 HG22 ILE 3 7.677 1.516 1.694 27 3HG2 ILE 3 HG23 ILE 3 8.754 2.745 2.354 28 1HD1 ILE 3 HD11 ILE 3 5.845 1.693 2.726 29 2HD1 ILE 3 HD12 ILE 3 5.608 2.702 4.154 30 3HD1 ILE 3 HD13 ILE 3 7.239 2.287 3.622 31 H LEU 4 HN LEU 4 5.657 5.671 -0.068 32 HA LEU 4 HA LEU 4 5.525 7.826 1.983 33 1HB LEU 4 HB2 LEU 4 6.097 8.651 -0.305 34 2HB LEU 4 HB1 LEU 4 4.621 7.895 -0.906 35 HG LEU 4 HG LEU 4 4.458 10.410 -0.293 36 1HD1 LEU 4 HD11 LEU 4 2.464 8.914 1.302 37 2HD1 LEU 4 HD12 LEU 4 2.650 8.397 -0.374 38 3HD1 LEU 4 HD13 LEU 4 2.227 10.069 -0.010 39 1HD2 LEU 4 HD21 LEU 4 5.719 9.825 1.936 40 2HD2 LEU 4 HD22 LEU 4 4.118 9.360 2.493 41 3HD2 LEU 4 HD23 LEU 4 4.420 11.013 1.954 42 H PHE 5 HN PHE 5 3.972 6.966 3.308 43 HA PHE 5 HA PHE 5 1.625 5.662 2.014 44 1HB PHE 5 HB2 PHE 5 2.923 4.382 3.668 45 2HB PHE 5 HB1 PHE 5 2.716 5.662 4.856 46 HD1 PHE 5 HD1 PHE 5 0.949 5.501 6.372 47 HD2 PHE 5 HD2 PHE 5 0.685 3.452 2.606 48 HE1 PHE 5 HE1 PHE 5 -1.191 4.469 7.083 49 HE2 PHE 5 HE2 PHE 5 -1.456 2.422 3.316 50 HZ PHE 5 HZ PHE 5 -2.392 2.928 5.557 51 H ASN 6 HN ASN 6 0.228 7.407 1.552 52 HA ASN 6 HA ASN 6 -1.236 9.171 1.986 53 1HB ASN 6 HB2 ASN 6 -1.685 7.490 3.922 54 2HB ASN 6 HB1 ASN 6 -0.773 8.624 4.916 55 1HD2 ASN 6 HD21 ASN 6 -3.054 8.764 6.006 56 2HD2 ASN 6 HD22 ASN 6 -4.125 9.920 5.375 57 H ASP 7 HN ASP 7 1.035 10.031 1.310 58 HA ASP 7 HA ASP 7 2.568 11.807 1.378 59 1HB ASP 7 HB2 ASP 7 1.129 13.285 3.447 60 2HB ASP 7 HB1 ASP 7 1.492 13.739 1.786 61 H GLN 8 HN GLN 8 2.499 9.573 3.497 62 HA GLN 8 HA GLN 8 4.171 10.969 5.570 63 1HB GLN 8 HB2 GLN 8 2.814 8.261 5.700 64 2HB GLN 8 HB1 GLN 8 3.446 9.209 7.048 65 1HG GLN 8 HG2 GLN 8 1.684 10.944 5.745 66 2HG GLN 8 HG1 GLN 8 0.854 9.391 5.740 67 1HE2 GLN 8 HE21 GLN 8 1.732 8.287 8.180 68 2HE2 GLN 8 HE22 GLN 8 1.185 9.254 9.464 69 H ALA 9 HN ALA 9 6.312 10.629 5.137 70 HA ALA 9 HA ALA 9 7.203 8.603 3.288 71 1HB ALA 9 HB1 ALA 9 8.678 10.341 3.301 72 2HB ALA 9 HB2 ALA 9 9.444 9.435 4.607 73 3HB ALA 9 HB3 ALA 9 8.328 10.748 4.981 74 H MET 10 HN MET 10 8.399 6.723 3.705 75 HA MET 10 HA MET 10 8.510 5.708 6.538 76 1HB MET 10 HB2 MET 10 6.511 5.097 4.763 77 2HB MET 10 HB1 MET 10 7.691 3.839 4.424 78 1HG MET 10 HG2 MET 10 6.391 2.877 6.092 79 2HG MET 10 HG1 MET 10 7.769 3.517 6.985 80 1HE MET 10 HE1 MET 10 4.501 4.429 5.400 81 2HE MET 10 HE2 MET 10 3.543 5.216 6.650 82 3HE MET 10 HE3 MET 10 3.883 3.491 6.765 83 H GLN 11 HN GLN 11 9.451 3.390 6.385 84 HA GLN 11 HA GLN 11 11.252 2.870 4.164 85 1HB GLN 11 HB2 GLN 11 12.815 2.484 6.514 86 2HB GLN 11 HB1 GLN 11 13.164 3.504 5.129 87 1HG GLN 11 HG2 GLN 11 12.092 5.391 6.115 88 2HG GLN 11 HG1 GLN 11 11.322 4.396 7.352 89 1HE2 GLN 11 HE21 GLN 11 12.366 4.477 9.345 90 2HE2 GLN 11 HE22 GLN 11 14.017 4.801 9.571 91 H CYS 12 HN CYS 12 10.963 0.830 3.792 92 HA CYS 12 HA CYS 12 10.740 -1.158 5.996 93 1HB CYS 12 HB2 CYS 12 8.572 -1.928 4.999 94 2HB CYS 12 HB1 CYS 12 8.503 -0.316 5.696 95 HG CYS 12 HG CYS 12 8.413 0.722 3.384 96 H ALA 13 HN ALA 13 9.597 -3.080 4.098 97 HA ALA 13 HA ALA 13 12.123 -3.941 2.976 98 1HB ALA 13 HB1 ALA 13 10.956 -5.642 4.056 99 2HB ALA 13 HB2 ALA 13 10.507 -5.931 2.374 100 3HB ALA 13 HB3 ALA 13 9.400 -5.076 3.449 101 H ALA 14 HN ALA 14 12.744 -3.232 1.044 102 HA ALA 14 HA ALA 14 11.009 -2.296 -1.050 103 1HB ALA 14 HB1 ALA 14 13.698 -3.448 -1.616 104 2HB ALA 14 HB2 ALA 14 13.612 -2.085 -0.500 105 3HB ALA 14 HB3 ALA 14 13.004 -1.916 -2.147 106 H GLY 15 HN GLY 15 10.247 -3.400 -2.864 107 1HA GLY 15 HA2 GLY 15 9.835 -5.197 -4.329 108 2HA GLY 15 HA1 GLY 15 11.028 -6.129 -3.432 109 H GLN 16 HN GLN 16 9.008 -4.776 -1.209 110 HA GLN 16 HA GLN 16 7.582 -7.323 -0.790 111 1HB GLN 16 HB2 GLN 16 7.606 -6.636 1.398 112 2HB GLN 16 HB1 GLN 16 8.916 -5.628 0.803 113 1HG GLN 16 HG2 GLN 16 7.511 -3.710 0.659 114 2HG GLN 16 HG1 GLN 16 6.045 -4.674 0.840 115 1HE2 GLN 16 HE21 GLN 16 7.673 -2.504 2.569 116 2HE2 GLN 16 HE22 GLN 16 7.515 -3.146 4.131 117 H THR 17 HN THR 17 5.445 -7.535 -1.556 118 HA THR 17 HA THR 17 4.055 -5.620 -3.026 119 HB THR 17 HB THR 17 2.178 -6.992 -2.811 120 HG1 THR 17 HG1 THR 17 2.186 -8.409 -0.792 121 1HG2 THR 17 HG21 THR 17 3.795 -9.178 -1.770 122 2HG2 THR 17 HG22 THR 17 4.608 -8.272 -3.047 123 3HG2 THR 17 HG23 THR 17 3.028 -8.997 -3.346 124 H VAL 18 HN VAL 18 1.617 -5.327 -2.032 125 HA VAL 18 HA VAL 18 1.725 -3.042 -0.202 126 HB VAL 18 HB VAL 18 -0.454 -4.756 -1.293 127 1HG1 VAL 18 HG11 VAL 18 -1.694 -3.490 0.055 128 2HG1 VAL 18 HG12 VAL 18 -1.424 -2.219 -1.141 129 3HG1 VAL 18 HG13 VAL 18 -0.391 -2.326 0.286 130 1HG2 VAL 18 HG21 VAL 18 -0.531 -3.043 -3.112 131 2HG2 VAL 18 HG22 VAL 18 0.953 -3.992 -3.087 132 3HG2 VAL 18 HG23 VAL 18 0.945 -2.357 -2.437 133 H HIS 19 HN HIS 19 0.124 -6.225 -0.299 134 HA HIS 19 HA HIS 19 -0.783 -6.412 2.375 135 1HB HIS 19 HB2 HIS 19 -1.154 -8.030 0.474 136 2HB HIS 19 HB1 HIS 19 0.548 -8.478 0.565 137 HD1 HIS 19 HD1 HIS 19 -2.691 -8.764 2.498 138 HD2 HIS 19 HD2 HIS 19 1.222 -10.189 2.712 139 HE1 HIS 19 HE1 HIS 19 -2.674 -10.548 4.298 140 H GLU 20 HN GLU 20 2.289 -6.504 0.795 141 HA GLU 20 HA GLU 20 3.787 -7.439 3.175 142 1HB GLU 20 HB2 GLU 20 4.420 -6.501 0.388 143 2HB GLU 20 HB1 GLU 20 5.705 -6.756 1.560 144 1HG GLU 20 HG2 GLU 20 4.177 -9.048 1.813 145 2HG GLU 20 HG1 GLU 20 4.105 -8.717 0.082 146 H LEU 21 HN LEU 21 3.251 -4.408 1.348 147 HA LEU 21 HA LEU 21 4.949 -2.798 3.071 148 1HB LEU 21 HB2 LEU 21 3.986 -2.438 0.667 149 2HB LEU 21 HB1 LEU 21 2.561 -1.823 1.500 150 HG LEU 21 HG LEU 21 4.251 -0.060 0.851 151 1HD1 LEU 21 HD11 LEU 21 4.146 -0.086 3.829 152 2HD1 LEU 21 HD12 LEU 21 2.611 -0.143 2.961 153 3HD1 LEU 21 HD13 LEU 21 3.724 1.201 2.700 154 1HD2 LEU 21 HD21 LEU 21 6.189 -1.656 1.501 155 2HD2 LEU 21 HD22 LEU 21 5.883 -1.122 3.153 156 3HD2 LEU 21 HD23 LEU 21 6.352 0.047 1.921 157 H LEU 22 HN LEU 22 1.377 -2.886 2.772 158 HA LEU 22 HA LEU 22 0.683 -1.391 5.035 159 1HB LEU 22 HB2 LEU 22 -0.469 -3.741 3.550 160 2HB LEU 22 HB1 LEU 22 -1.304 -3.126 4.978 161 HG LEU 22 HG LEU 22 -0.421 -1.296 2.750 162 1HD1 LEU 22 HD11 LEU 22 -2.276 -1.773 1.499 163 2HD1 LEU 22 HD12 LEU 22 -3.269 -2.097 2.920 164 3HD1 LEU 22 HD13 LEU 22 -2.177 -3.339 2.306 165 1HD2 LEU 22 HD21 LEU 22 -2.342 0.012 3.769 166 2HD2 LEU 22 HD22 LEU 22 -0.948 -0.216 4.823 167 3HD2 LEU 22 HD23 LEU 22 -2.390 -1.206 5.040 168 H GLU 23 HN GLU 23 0.948 -4.931 4.869 169 HA GLU 23 HA GLU 23 0.629 -5.508 7.617 170 1HB GLU 23 HB2 GLU 23 0.691 -7.130 5.759 171 2HB GLU 23 HB1 GLU 23 2.418 -6.828 5.563 172 1HG GLU 23 HG2 GLU 23 2.807 -8.439 7.088 173 2HG GLU 23 HG1 GLU 23 2.063 -7.393 8.298 174 H GLN 24 HN GLN 24 3.615 -4.642 5.830 175 HA GLN 24 HA GLN 24 5.385 -5.007 8.072 176 1HB GLN 24 HB2 GLN 24 5.864 -4.760 5.551 177 2HB GLN 24 HB1 GLN 24 5.707 -3.023 5.811 178 1HG GLN 24 HG2 GLN 24 7.923 -3.119 6.313 179 2HG GLN 24 HG1 GLN 24 7.367 -3.741 7.870 180 1HE2 GLN 24 HE21 GLN 24 9.896 -4.497 6.562 181 2HE2 GLN 24 HE22 GLN 24 9.806 -6.164 6.254 182 H LEU 25 HN LEU 25 3.636 -2.171 6.772 183 HA LEU 25 HA LEU 25 4.567 -0.298 8.739 184 1HB LEU 25 HB2 LEU 25 2.027 -0.478 7.082 185 2HB LEU 25 HB1 LEU 25 2.612 0.982 7.879 186 HG LEU 25 HG LEU 25 3.936 -0.538 5.627 187 1HD1 LEU 25 HD11 LEU 25 3.827 1.773 4.583 188 2HD1 LEU 25 HD12 LEU 25 2.784 2.237 5.928 189 3HD1 LEU 25 HD13 LEU 25 2.274 0.970 4.812 190 1HD2 LEU 25 HD21 LEU 25 5.767 1.103 5.803 191 2HD2 LEU 25 HD22 LEU 25 5.638 0.133 7.270 192 3HD2 LEU 25 HD23 LEU 25 5.015 1.784 7.245 193 H ASP 26 HN ASP 26 2.292 -2.881 8.702 194 HA ASP 26 HA ASP 26 1.281 -3.968 10.551 195 1HB ASP 26 HB2 ASP 26 2.936 -2.493 11.875 196 2HB ASP 26 HB1 ASP 26 1.587 -1.377 12.041 197 H GLN 27 HN GLN 27 0.091 -2.400 8.397 198 HA GLN 27 HA GLN 27 -2.440 -1.539 9.765 199 1HB GLN 27 HB2 GLN 27 -1.443 -0.518 7.105 200 2HB GLN 27 HB1 GLN 27 -2.550 0.261 8.238 201 1HG GLN 27 HG2 GLN 27 -0.209 -0.117 9.721 202 2HG GLN 27 HG1 GLN 27 0.367 0.376 8.126 203 1HE2 GLN 27 HE21 GLN 27 -1.449 1.444 10.963 204 2HE2 GLN 27 HE22 GLN 27 -1.612 3.062 10.477 205 H ARG 28 HN ARG 28 -4.308 -2.515 8.953 206 HA ARG 28 HA ARG 28 -3.934 -4.440 6.700 207 1HB ARG 28 HB2 ARG 28 -5.735 -4.234 9.108 208 2HB ARG 28 HB1 ARG 28 -6.202 -5.253 7.746 209 1HG ARG 28 HG2 ARG 28 -3.403 -5.581 8.630 210 2HG ARG 28 HG1 ARG 28 -4.620 -6.103 9.797 211 1HD ARG 28 HD2 ARG 28 -5.654 -7.140 7.482 212 2HD ARG 28 HD1 ARG 28 -3.912 -7.288 7.181 213 HE ARG 28 HE ARG 28 -4.291 -8.118 9.834 214 1HH1 ARG 28 HH11 ARG 28 -3.540 -9.626 7.117 215 2HH1 ARG 28 HH12 ARG 28 -4.543 -11.025 7.313 216 1HH2 ARG 28 HH21 ARG 28 -6.402 -9.660 9.903 217 2HH2 ARG 28 HH22 ARG 28 -6.162 -11.043 8.888 218 H GLN 29 HN GLN 29 -7.198 -3.796 7.317 219 HA GLN 29 HA GLN 29 -7.708 -1.407 5.918 220 1HB GLN 29 HB2 GLN 29 -8.368 -2.781 3.728 221 2HB GLN 29 HB1 GLN 29 -6.749 -2.132 3.958 222 1HG GLN 29 HG2 GLN 29 -5.816 -4.195 4.193 223 2HG GLN 29 HG1 GLN 29 -7.182 -4.821 5.109 224 1HE2 GLN 29 HE21 GLN 29 -9.059 -5.649 3.860 225 2HE2 GLN 29 HE22 GLN 29 -8.893 -6.048 2.220 226 H ALA 30 HN ALA 30 -8.952 -4.739 5.448 227 HA ALA 30 HA ALA 30 -11.082 -5.655 5.962 228 1HB ALA 30 HB1 ALA 30 -10.448 -4.114 8.067 229 2HB ALA 30 HB2 ALA 30 -12.037 -4.863 7.910 230 3HB ALA 30 HB3 ALA 30 -11.807 -3.176 7.453 231 H GLY 31 HN GLY 31 -10.400 -3.100 4.097 232 1HA GLY 31 HA2 GLY 31 -12.381 -3.064 2.310 233 2HA GLY 31 HA1 GLY 31 -13.140 -2.166 3.630 234 H ALA 32 HN ALA 32 -9.741 -2.156 2.540 235 HA ALA 32 HA ALA 32 -10.037 0.799 2.104 236 1HB ALA 32 HB1 ALA 32 -7.862 1.034 3.092 237 2HB ALA 32 HB2 ALA 32 -7.574 -0.704 3.017 238 3HB ALA 32 HB3 ALA 32 -8.765 -0.056 4.144 239 H ALA 33 HN ALA 33 -8.807 1.702 0.414 240 HA ALA 33 HA ALA 33 -7.463 -0.208 -1.461 241 1HB ALA 33 HB1 ALA 33 -8.812 0.504 -3.157 242 2HB ALA 33 HB2 ALA 33 -8.762 2.180 -2.607 243 3HB ALA 33 HB3 ALA 33 -9.884 1.040 -1.862 244 H LEU 34 HN LEU 34 -5.732 0.931 -2.745 245 HA LEU 34 HA LEU 34 -4.932 3.557 -1.600 246 1HB LEU 34 HB2 LEU 34 -3.455 2.519 -0.246 247 2HB LEU 34 HB1 LEU 34 -3.952 0.961 -0.882 248 HG LEU 34 HG LEU 34 -1.902 2.734 -2.242 249 1HD1 LEU 34 HD11 LEU 34 -1.126 0.214 -0.849 250 2HD1 LEU 34 HD12 LEU 34 -1.459 1.616 0.168 251 3HD1 LEU 34 HD13 LEU 34 -0.207 1.703 -1.071 252 1HD2 LEU 34 HD21 LEU 34 -3.356 0.423 -3.046 253 2HD2 LEU 34 HD22 LEU 34 -1.693 -0.090 -2.755 254 3HD2 LEU 34 HD23 LEU 34 -2.028 1.210 -3.900 255 H ALA 35 HN ALA 35 -3.434 4.736 -2.966 256 HA ALA 35 HA ALA 35 -3.160 3.561 -5.723 257 1HB ALA 35 HB1 ALA 35 -4.010 5.523 -6.493 258 2HB ALA 35 HB2 ALA 35 -2.939 6.469 -5.460 259 3HB ALA 35 HB3 ALA 35 -4.466 5.858 -4.823 260 H ILE 36 HN ILE 36 -1.051 2.994 -6.086 261 HA ILE 36 HA ILE 36 1.063 4.442 -4.570 262 HB ILE 36 HB ILE 36 1.228 1.948 -6.277 263 1HG1 ILE 36 HG12 ILE 36 0.567 2.381 -3.359 264 2HG1 ILE 36 HG11 ILE 36 -0.300 1.405 -4.543 265 1HG2 ILE 36 HG21 ILE 36 3.042 2.455 -3.995 266 2HG2 ILE 36 HG22 ILE 36 3.237 3.543 -5.366 267 3HG2 ILE 36 HG23 ILE 36 3.406 1.802 -5.591 268 1HD1 ILE 36 HD11 ILE 36 1.928 0.045 -4.685 269 2HD1 ILE 36 HD12 ILE 36 0.853 -0.220 -3.313 270 3HD1 ILE 36 HD13 ILE 36 2.284 0.795 -3.129 271 H ASN 37 HN ASN 37 2.492 5.813 -5.606 272 HA ASN 37 HA ASN 37 3.425 7.064 -7.386 273 1HB ASN 37 HB2 ASN 37 3.095 4.362 -8.739 274 2HB ASN 37 HB1 ASN 37 4.231 5.628 -9.210 275 1HD2 ASN 37 HD21 ASN 37 5.674 6.369 -7.187 276 2HD2 ASN 37 HD22 ASN 37 6.312 5.093 -6.266 277 H GLN 38 HN GLN 38 0.447 6.823 -7.111 278 HA GLN 38 HA GLN 38 -1.349 7.855 -8.265 279 1HB GLN 38 HB2 GLN 38 -0.836 9.099 -10.123 280 2HB GLN 38 HB1 GLN 38 0.820 8.723 -9.657 281 1HG GLN 38 HG2 GLN 38 0.266 6.524 -11.137 282 2HG GLN 38 HG1 GLN 38 -0.796 7.686 -11.934 283 1HE2 GLN 38 HE21 GLN 38 0.937 10.020 -11.417 284 2HE2 GLN 38 HE22 GLN 38 2.295 9.843 -12.421 285 H GLN 39 HN GLN 39 -0.390 4.875 -8.266 286 HA GLN 39 HA GLN 39 -2.209 3.960 -10.453 287 1HB GLN 39 HB2 GLN 39 -0.913 1.970 -10.539 288 2HB GLN 39 HB1 GLN 39 0.269 3.257 -10.345 289 1HG GLN 39 HG2 GLN 39 -0.225 2.676 -7.740 290 2HG GLN 39 HG1 GLN 39 -0.502 1.098 -8.473 291 1HE2 GLN 39 HE21 GLN 39 1.545 0.360 -7.407 292 2HE2 GLN 39 HE22 GLN 39 3.041 0.770 -8.094 293 H ILE 40 HN ILE 40 -4.211 3.821 -9.516 294 HA ILE 40 HA ILE 40 -4.585 3.037 -6.740 295 HB ILE 40 HB ILE 40 -6.346 3.483 -9.154 296 1HG1 ILE 40 HG12 ILE 40 -7.232 5.263 -7.486 297 2HG1 ILE 40 HG11 ILE 40 -5.772 4.913 -6.558 298 1HG2 ILE 40 HG21 ILE 40 -8.282 3.232 -7.518 299 2HG2 ILE 40 HG22 ILE 40 -7.139 2.482 -6.403 300 3HG2 ILE 40 HG23 ILE 40 -7.477 1.726 -7.960 301 1HD1 ILE 40 HD11 ILE 40 -4.349 5.604 -8.335 302 2HD1 ILE 40 HD12 ILE 40 -5.613 6.830 -8.260 303 3HD1 ILE 40 HD13 ILE 40 -5.669 5.583 -9.504 304 H VAL 41 HN VAL 41 -4.027 0.944 -6.229 305 HA VAL 41 HA VAL 41 -4.652 -1.237 -8.151 306 HB VAL 41 HB VAL 41 -3.296 -1.315 -5.462 307 1HG1 VAL 41 HG11 VAL 41 -2.379 -3.414 -6.297 308 2HG1 VAL 41 HG12 VAL 41 -3.130 -3.152 -7.870 309 3HG1 VAL 41 HG13 VAL 41 -4.134 -3.447 -6.453 310 1HG2 VAL 41 HG21 VAL 41 -1.190 -1.119 -6.706 311 2HG2 VAL 41 HG22 VAL 41 -2.199 0.290 -7.023 312 3HG2 VAL 41 HG23 VAL 41 -2.077 -0.995 -8.225 313 HA PRO 42 HA PRO 42 -8.067 -2.386 -5.729 314 1HB PRO 42 HB2 PRO 42 -8.284 -4.967 -6.547 315 2HB PRO 42 HB1 PRO 42 -8.829 -3.570 -7.477 316 1HG PRO 42 HG2 PRO 42 -6.407 -5.229 -7.795 317 2HG PRO 42 HG1 PRO 42 -7.402 -4.457 -9.037 318 1HD PRO 42 HD2 PRO 42 -4.995 -3.480 -8.152 319 2HD PRO 42 HD1 PRO 42 -6.266 -2.488 -8.893 320 H ARG 43 HN ARG 43 -7.997 -2.877 -3.736 321 HA ARG 43 HA ARG 43 -6.164 -3.593 -1.944 322 1HB ARG 43 HB2 ARG 43 -8.023 -4.992 -0.802 323 2HB ARG 43 HB1 ARG 43 -8.366 -3.305 -1.166 324 1HG ARG 43 HG2 ARG 43 -9.294 -4.303 -3.432 325 2HG ARG 43 HG1 ARG 43 -9.406 -5.784 -2.484 326 1HD ARG 43 HD2 ARG 43 -11.196 -5.019 -1.321 327 2HD ARG 43 HD1 ARG 43 -10.435 -3.439 -1.047 328 HE ARG 43 HE ARG 43 -12.375 -3.929 -3.057 329 1HH1 ARG 43 HH21 ARG 43 -10.737 -1.368 -2.151 330 2HH1 ARG 43 HH22 ARG 43 -10.219 -0.817 -3.709 331 1HH2 ARG 43 HH11 ARG 43 -11.057 -3.767 -5.326 332 2HH2 ARG 43 HH12 ARG 43 -10.394 -2.176 -5.505 333 H GLU 44 HN GLU 44 -7.995 -6.166 -3.578 334 HA GLU 44 HA GLU 44 -6.749 -8.395 -2.506 335 1HB GLU 44 HB2 GLU 44 -8.700 -8.440 -3.881 336 2HB GLU 44 HB1 GLU 44 -7.818 -7.754 -5.246 337 1HG GLU 44 HG2 GLU 44 -7.099 -9.798 -5.894 338 2HG GLU 44 HG1 GLU 44 -6.495 -10.149 -4.275 339 H GLN 45 HN GLN 45 -5.627 -6.501 -5.327 340 HA GLN 45 HA GLN 45 -3.422 -8.196 -5.982 341 1HB GLN 45 HB2 GLN 45 -4.128 -5.297 -6.386 342 2HB GLN 45 HB1 GLN 45 -2.563 -5.905 -6.926 343 1HG GLN 45 HG2 GLN 45 -4.768 -7.666 -7.700 344 2HG GLN 45 HG1 GLN 45 -4.936 -6.043 -8.362 345 1HE2 GLN 45 HE21 GLN 45 -4.256 -8.444 -9.922 346 2HE2 GLN 45 HE22 GLN 45 -2.718 -8.167 -10.586 347 H TRP 46 HN TRP 46 -3.796 -5.758 -3.462 348 HA TRP 46 HA TRP 46 -1.271 -4.964 -2.795 349 1HB TRP 46 HB2 TRP 46 -3.492 -6.135 -1.101 350 2HB TRP 46 HB1 TRP 46 -2.098 -5.315 -0.406 351 HD1 TRP 46 HD1 TRP 46 -2.987 -3.738 -3.614 352 HE1 TRP 46 HE1 TRP 46 -4.284 -1.548 -3.220 353 HE3 TRP 46 HE3 TRP 46 -4.122 -4.258 1.337 354 HZ2 TRP 46 HZ2 TRP 46 -5.634 -0.206 -1.080 355 HZ3 TRP 46 HZ3 TRP 46 -5.431 -2.509 2.518 356 HH2 TRP 46 HH2 TRP 46 -6.195 -0.481 1.297 357 H ALA 47 HN ALA 47 -2.532 -8.232 -2.530 358 HA ALA 47 HA ALA 47 -0.315 -9.243 -0.944 359 1HB ALA 47 HB1 ALA 47 -2.870 -9.940 -1.543 360 2HB ALA 47 HB2 ALA 47 -1.685 -11.047 -0.849 361 3HB ALA 47 HB3 ALA 47 -1.970 -11.039 -2.590 362 H GLN 48 HN GLN 48 -0.794 -8.645 -4.324 363 HA GLN 48 HA GLN 48 1.670 -10.254 -4.907 364 1HB GLN 48 HB2 GLN 48 -0.927 -9.908 -6.419 365 2HB GLN 48 HB1 GLN 48 0.536 -10.490 -7.215 366 1HG GLN 48 HG2 GLN 48 0.659 -12.199 -5.267 367 2HG GLN 48 HG1 GLN 48 -1.033 -11.784 -4.991 368 1HE2 GLN 48 HE21 GLN 48 -1.658 -13.992 -5.685 369 2HE2 GLN 48 HE22 GLN 48 -1.658 -14.401 -7.332 370 H HIS 49 HN HIS 49 0.422 -7.246 -4.597 371 HA HIS 49 HA HIS 49 1.593 -5.989 -6.977 372 1HB HIS 49 HB2 HIS 49 -0.538 -5.285 -6.011 373 2HB HIS 49 HB1 HIS 49 0.246 -4.984 -4.461 374 HD1 HIS 49 HD1 HIS 49 -0.105 -3.600 -7.924 375 HD2 HIS 49 HD2 HIS 49 1.880 -2.635 -4.389 376 HE1 HIS 49 HE1 HIS 49 0.795 -1.254 -8.228 377 H ILE 50 HN ILE 50 3.836 -6.751 -6.450 378 HA ILE 50 HA ILE 50 5.338 -6.233 -4.167 379 HB ILE 50 HB ILE 50 6.052 -6.128 -7.106 380 1HG1 ILE 50 HG12 ILE 50 5.019 -8.229 -6.145 381 2HG1 ILE 50 HG11 ILE 50 6.643 -8.446 -6.803 382 1HG2 ILE 50 HG21 ILE 50 7.639 -5.545 -4.755 383 2HG2 ILE 50 HG22 ILE 50 8.111 -5.480 -6.454 384 3HG2 ILE 50 HG23 ILE 50 8.248 -6.995 -5.559 385 1HD1 ILE 50 HD11 ILE 50 5.833 -9.179 -4.257 386 2HD1 ILE 50 HD12 ILE 50 6.660 -7.644 -3.990 387 3HD1 ILE 50 HD13 ILE 50 7.504 -8.974 -4.782 388 H VAL 51 HN VAL 51 6.029 -4.461 -3.200 389 HA VAL 51 HA VAL 51 5.659 -1.787 -4.448 390 HB VAL 51 HB VAL 51 6.410 -2.588 -1.628 391 1HG1 VAL 51 HG11 VAL 51 4.833 -0.321 -1.604 392 2HG1 VAL 51 HG12 VAL 51 5.851 -0.094 -3.025 393 3HG1 VAL 51 HG13 VAL 51 6.588 -0.356 -1.445 394 1HG2 VAL 51 HG21 VAL 51 4.245 -3.620 -2.621 395 2HG2 VAL 51 HG22 VAL 51 3.625 -1.972 -2.616 396 3HG2 VAL 51 HG23 VAL 51 4.101 -2.739 -1.107 397 H GLN 52 HN GLN 52 7.432 -0.326 -4.641 398 HA GLN 52 HA GLN 52 10.116 -1.649 -4.539 399 1HB GLN 52 HB2 GLN 52 9.104 0.768 -6.032 400 2HB GLN 52 HB1 GLN 52 10.661 -0.028 -6.269 401 1HG GLN 52 HG2 GLN 52 8.822 -2.113 -6.486 402 2HG GLN 52 HG1 GLN 52 8.023 -0.771 -7.306 403 1HE2 GLN 52 HE21 GLN 52 9.248 -3.224 -8.525 404 2HE2 GLN 52 HE22 GLN 52 10.418 -2.654 -9.615 405 H ASP 53 HN ASP 53 11.920 -0.481 -3.860 406 HA ASP 53 HA ASP 53 11.755 1.175 -1.594 407 1HB ASP 53 HB2 ASP 53 13.781 0.115 -1.958 408 2HB ASP 53 HB1 ASP 53 13.785 0.519 -3.671 409 H GLY 54 HN GLY 54 10.798 3.009 -1.543 410 1HA GLY 54 HA2 GLY 54 10.903 5.449 -2.053 411 2HA GLY 54 HA1 GLY 54 11.235 5.008 -3.736 412 H ASP 55 HN ASP 55 9.137 2.866 -2.279 413 HA ASP 55 HA ASP 55 6.971 3.097 -3.990 414 1HB ASP 55 HB2 ASP 55 7.141 1.239 -2.572 415 2HB ASP 55 HB1 ASP 55 7.365 2.240 -1.138 416 H GLN 56 HN GLN 56 5.175 4.406 -4.155 417 HA GLN 56 HA GLN 56 4.741 6.474 -2.020 418 1HB GLN 56 HB2 GLN 56 5.255 7.651 -4.023 419 2HB GLN 56 HB1 GLN 56 4.419 6.467 -5.033 420 1HG GLN 56 HG2 GLN 56 2.352 7.358 -4.613 421 2HG GLN 56 HG1 GLN 56 2.782 7.867 -2.987 422 1HE2 GLN 56 HE21 GLN 56 3.627 10.011 -2.708 423 2HE2 GLN 56 HE22 GLN 56 3.768 11.118 -3.987 424 H ILE 57 HN ILE 57 2.528 6.615 -1.257 425 HA ILE 57 HA ILE 57 0.675 4.598 -2.467 426 HB ILE 57 HB ILE 57 1.529 4.917 0.402 427 1HG1 ILE 57 HG12 ILE 57 1.548 2.509 -1.429 428 2HG1 ILE 57 HG11 ILE 57 2.955 3.532 -1.115 429 1HG2 ILE 57 HG21 ILE 57 -0.745 4.522 0.677 430 2HG2 ILE 57 HG22 ILE 57 -0.120 2.875 0.600 431 3HG2 ILE 57 HG23 ILE 57 -0.868 3.604 -0.822 432 1HD1 ILE 57 HD11 ILE 57 3.215 1.853 0.493 433 2HD1 ILE 57 HD12 ILE 57 1.479 1.726 0.777 434 3HD1 ILE 57 HD13 ILE 57 2.373 3.111 1.400 435 H LEU 58 HN LEU 58 -1.492 5.038 -2.262 436 HA LEU 58 HA LEU 58 -2.252 7.630 -0.995 437 1HB LEU 58 HB2 LEU 58 -2.701 6.451 -3.610 438 2HB LEU 58 HB1 LEU 58 -4.214 6.934 -2.842 439 HG LEU 58 HG LEU 58 -2.028 8.894 -2.563 440 1HD1 LEU 58 HD11 LEU 58 -2.139 9.694 -4.865 441 2HD1 LEU 58 HD12 LEU 58 -3.267 8.404 -5.288 442 3HD1 LEU 58 HD13 LEU 58 -1.600 8.014 -4.859 443 1HD2 LEU 58 HD21 LEU 58 -4.348 9.344 -1.885 444 2HD2 LEU 58 HD22 LEU 58 -4.905 9.031 -3.530 445 3HD2 LEU 58 HD23 LEU 58 -3.879 10.427 -3.195 446 H LEU 59 HN LEU 59 -4.184 7.502 0.347 447 HA LEU 59 HA LEU 59 -4.912 4.674 0.993 448 1HB LEU 59 HB2 LEU 59 -3.783 6.210 2.675 449 2HB LEU 59 HB1 LEU 59 -5.250 7.186 2.660 450 HG LEU 59 HG LEU 59 -5.065 5.427 4.515 451 1HD1 LEU 59 HD11 LEU 59 -7.219 6.472 3.190 452 2HD1 LEU 59 HD12 LEU 59 -7.331 5.459 4.629 453 3HD1 LEU 59 HD13 LEU 59 -7.516 4.741 3.029 454 1HD2 LEU 59 HD21 LEU 59 -5.583 3.135 3.914 455 2HD2 LEU 59 HD22 LEU 59 -4.179 3.646 2.978 456 3HD2 LEU 59 HD23 LEU 59 -5.770 3.576 2.219 457 H PHE 60 HN PHE 60 -6.973 4.010 0.681 458 HA PHE 60 HA PHE 60 -9.088 6.071 0.149 459 1HB PHE 60 HB2 PHE 60 -8.599 3.329 -1.067 460 2HB PHE 60 HB1 PHE 60 -10.010 4.330 -1.412 461 HD1 PHE 60 HD1 PHE 60 -7.308 3.331 -3.038 462 HD2 PHE 60 HD2 PHE 60 -8.878 7.029 -1.524 463 HE1 PHE 60 HE1 PHE 60 -6.009 4.581 -4.741 464 HE2 PHE 60 HE2 PHE 60 -7.581 8.280 -3.227 465 HZ PHE 60 HZ PHE 60 -6.145 7.056 -4.836 466 H GLN 61 HN GLN 61 -11.197 5.557 1.024 467 HA GLN 61 HA GLN 61 -11.192 3.268 2.966 468 1HB GLN 61 HB2 GLN 61 -12.165 4.712 4.576 469 2HB GLN 61 HB1 GLN 61 -10.924 5.699 3.804 470 1HG GLN 61 HG2 GLN 61 -12.958 6.273 2.158 471 2HG GLN 61 HG1 GLN 61 -13.896 5.884 3.599 472 1HE2 GLN 61 HE21 GLN 61 -13.597 8.575 2.430 473 2HE2 GLN 61 HE22 GLN 61 -12.843 9.534 3.610 474 H VAL 62 HN VAL 62 -12.932 1.928 2.832 475 HA VAL 62 HA VAL 62 -15.598 2.686 2.158 476 HB VAL 62 HB VAL 62 -14.228 2.989 -0.043 477 1HG1 VAL 62 HG11 VAL 62 -14.539 -0.029 0.059 478 2HG1 VAL 62 HG12 VAL 62 -13.016 0.859 0.048 479 3HG1 VAL 62 HG13 VAL 62 -14.063 0.885 -1.370 480 1HG2 VAL 62 HG21 VAL 62 -16.208 1.680 -1.268 481 2HG2 VAL 62 HG22 VAL 62 -16.514 3.166 -0.366 482 3HG2 VAL 62 HG23 VAL 62 -16.844 1.600 0.376 483 H ILE 63 HN ILE 63 -16.850 1.049 2.977 484 HA ILE 63 HA ILE 63 -15.620 -1.676 3.166 485 HB ILE 63 HB ILE 63 -17.194 0.063 5.048 486 1HG1 ILE 63 HG12 ILE 63 -15.513 -0.767 6.637 487 2HG1 ILE 63 HG11 ILE 63 -14.883 -1.870 5.416 488 1HG2 ILE 63 HG21 ILE 63 -17.620 -2.806 4.615 489 2HG2 ILE 63 HG22 ILE 63 -18.576 -1.660 5.554 490 3HG2 ILE 63 HG23 ILE 63 -17.159 -2.422 6.274 491 1HD1 ILE 63 HD11 ILE 63 -15.052 1.027 4.707 492 2HD1 ILE 63 HD12 ILE 63 -13.872 -0.183 4.206 493 3HD1 ILE 63 HD13 ILE 63 -13.778 0.526 5.818 494 H ALA 64 HN ALA 64 -16.601 -2.512 1.297 495 HA ALA 64 HA ALA 64 -19.591 -2.488 1.295 496 1HB ALA 64 HB1 ALA 64 -19.418 -2.382 -1.124 497 2HB ALA 64 HB2 ALA 64 -17.669 -2.603 -1.040 498 3HB ALA 64 HB3 ALA 64 -18.401 -1.118 -0.431 499 H GLY 65 HN GLY 65 -20.480 -4.508 1.484 500 1HA GLY 65 HA2 GLY 65 -19.075 -6.837 0.316 501 2HA GLY 65 HA1 GLY 65 -19.394 -6.890 2.053 502 H GLY 66 HN GLY 66 -21.903 -5.744 2.210 503 1HA GLY 66 HA2 GLY 66 -23.644 -7.200 0.305 504 2HA GLY 66 HA1 GLY 66 -23.782 -7.631 2.011 Start of MODEL 8 1 1H MET 1 HT1 MET 1 -15.318 2.667 -2.143 2 2H MET 1 HT2 MET 1 -14.621 3.206 -3.595 3 3H MET 1 HT3 MET 1 -15.027 4.321 -2.379 4 HA MET 1 HA MET 1 -13.342 3.380 -0.906 5 1HB MET 1 HB2 MET 1 -13.755 1.171 -2.409 6 2HB MET 1 HB1 MET 1 -12.276 1.777 -3.148 7 1HG MET 1 HG2 MET 1 -12.547 1.481 -0.165 8 2HG MET 1 HG1 MET 1 -12.013 0.169 -1.190 9 1HE MET 1 HE1 MET 1 -8.976 1.361 0.753 10 2HE MET 1 HE2 MET 1 -9.232 -0.035 -0.287 11 3HE MET 1 HE3 MET 1 -10.504 0.475 0.818 12 H GLN 2 HN GLN 2 -11.500 4.555 -0.898 13 HA GLN 2 HA GLN 2 -10.180 5.332 -3.417 14 1HB GLN 2 HB2 GLN 2 -11.722 7.108 -3.279 15 2HB GLN 2 HB1 GLN 2 -11.660 7.132 -1.519 16 1HG GLN 2 HG2 GLN 2 -9.654 8.297 -1.464 17 2HG GLN 2 HG1 GLN 2 -9.160 7.720 -3.056 18 1HE2 GLN 2 HE21 GLN 2 -12.104 9.465 -1.882 19 2HE2 GLN 2 HE22 GLN 2 -11.999 10.708 -3.035 20 H ILE 3 HN ILE 3 -8.090 6.051 -3.052 21 HA ILE 3 HA ILE 3 -7.184 5.795 -0.277 22 HB ILE 3 HB ILE 3 -6.018 3.887 -0.753 23 1HG1 ILE 3 HG12 ILE 3 -5.649 5.153 -3.417 24 2HG1 ILE 3 HG11 ILE 3 -4.456 4.409 -2.362 25 1HG2 ILE 3 HG21 ILE 3 -8.443 3.441 -1.329 26 2HG2 ILE 3 HG22 ILE 3 -7.337 2.385 -2.203 27 3HG2 ILE 3 HG23 ILE 3 -8.056 3.772 -3.018 28 1HD1 ILE 3 HD11 ILE 3 -6.519 2.935 -4.036 29 2HD1 ILE 3 HD12 ILE 3 -5.365 2.168 -2.950 30 3HD1 ILE 3 HD13 ILE 3 -4.789 3.028 -4.376 31 H LEU 4 HN LEU 4 -4.714 6.157 -0.271 32 HA LEU 4 HA LEU 4 -3.983 8.168 -2.348 33 1HB LEU 4 HB2 LEU 4 -4.581 9.163 -0.131 34 2HB LEU 4 HB1 LEU 4 -3.308 8.181 0.603 35 HG LEU 4 HG LEU 4 -2.658 10.620 -0.086 36 1HD1 LEU 4 HD11 LEU 4 -1.234 8.351 0.242 37 2HD1 LEU 4 HD12 LEU 4 -0.506 9.899 -0.173 38 3HD1 LEU 4 HD13 LEU 4 -0.844 8.715 -1.438 39 1HD2 LEU 4 HD21 LEU 4 -3.808 10.205 -2.388 40 2HD2 LEU 4 HD22 LEU 4 -2.319 9.355 -2.791 41 3HD2 LEU 4 HD23 LEU 4 -2.272 11.062 -2.348 42 H PHE 5 HN PHE 5 -2.456 7.071 -3.505 43 HA PHE 5 HA PHE 5 -0.502 5.432 -1.959 44 1HB PHE 5 HB2 PHE 5 -1.815 4.224 -3.616 45 2HB PHE 5 HB1 PHE 5 -1.426 5.413 -4.857 46 HD1 PHE 5 HD1 PHE 5 -0.343 2.436 -3.100 47 HD2 PHE 5 HD2 PHE 5 0.966 5.651 -5.630 48 HE1 PHE 5 HE1 PHE 5 1.696 1.149 -3.681 49 HE2 PHE 5 HE2 PHE 5 3.005 4.360 -6.210 50 HZ PHE 5 HZ PHE 5 3.366 2.108 -5.242 51 H ASN 6 HN ASN 6 1.144 6.886 -1.456 52 HA ASN 6 HA ASN 6 2.898 8.372 -1.805 53 1HB ASN 6 HB2 ASN 6 3.463 6.578 -3.467 54 2HB ASN 6 HB1 ASN 6 2.560 7.481 -4.684 55 1HD2 ASN 6 HD21 ASN 6 4.785 8.781 -2.166 56 2HD2 ASN 6 HD22 ASN 6 5.870 9.475 -3.271 57 H ASP 7 HN ASP 7 0.749 9.606 -1.420 58 HA ASP 7 HA ASP 7 -0.445 11.594 -1.704 59 1HB ASP 7 HB2 ASP 7 1.528 12.589 -3.664 60 2HB ASP 7 HB1 ASP 7 0.916 13.336 -2.193 61 H GLN 8 HN GLN 8 -0.645 9.295 -3.712 62 HA GLN 8 HA GLN 8 -1.890 10.891 -5.944 63 1HB GLN 8 HB2 GLN 8 -0.837 8.047 -5.858 64 2HB GLN 8 HB1 GLN 8 -1.562 8.817 -7.266 65 1HG GLN 8 HG2 GLN 8 0.494 10.510 -6.150 66 2HG GLN 8 HG1 GLN 8 1.142 8.908 -6.507 67 1HE2 GLN 8 HE21 GLN 8 -0.481 8.234 -8.753 68 2HE2 GLN 8 HE22 GLN 8 -0.102 9.287 -10.031 69 H ALA 9 HN ALA 9 -4.077 10.852 -5.842 70 HA ALA 9 HA ALA 9 -5.419 9.143 -3.919 71 1HB ALA 9 HB1 ALA 9 -6.224 11.359 -4.299 72 2HB ALA 9 HB2 ALA 9 -7.439 10.282 -4.989 73 3HB ALA 9 HB3 ALA 9 -6.291 11.108 -6.040 74 H MET 10 HN MET 10 -6.818 7.462 -4.321 75 HA MET 10 HA MET 10 -7.005 6.380 -7.113 76 1HB MET 10 HB2 MET 10 -5.222 5.476 -5.218 77 2HB MET 10 HB1 MET 10 -6.620 4.444 -4.962 78 1HG MET 10 HG2 MET 10 -5.488 3.243 -6.579 79 2HG MET 10 HG1 MET 10 -6.599 4.197 -7.557 80 1HE MET 10 HE1 MET 10 -2.327 4.346 -6.654 81 2HE MET 10 HE2 MET 10 -3.672 4.487 -5.524 82 3HE MET 10 HE3 MET 10 -2.885 5.941 -6.126 83 H GLN 11 HN GLN 11 -8.277 4.227 -6.878 84 HA GLN 11 HA GLN 11 -10.356 4.190 -4.817 85 1HB GLN 11 HB2 GLN 11 -11.432 3.863 -7.522 86 2HB GLN 11 HB1 GLN 11 -12.128 4.700 -6.147 87 1HG GLN 11 HG2 GLN 11 -10.911 6.694 -6.595 88 2HG GLN 11 HG1 GLN 11 -9.828 5.875 -7.720 89 1HE2 GLN 11 HE21 GLN 11 -10.311 6.659 -9.778 90 2HE2 GLN 11 HE22 GLN 11 -11.879 6.824 -10.408 91 H CYS 12 HN CYS 12 -10.360 2.143 -4.267 92 HA CYS 12 HA CYS 12 -9.961 0.024 -6.339 93 1HB CYS 12 HB2 CYS 12 -8.169 -0.924 -5.029 94 2HB CYS 12 HB1 CYS 12 -7.827 0.793 -5.243 95 HG CYS 12 HG CYS 12 -9.171 -0.247 -2.614 96 H ALA 13 HN ALA 13 -9.750 -2.127 -4.733 97 HA ALA 13 HA ALA 13 -12.461 -2.585 -3.891 98 1HB ALA 13 HB1 ALA 13 -11.211 -4.805 -3.187 99 2HB ALA 13 HB2 ALA 13 -9.882 -4.086 -4.096 100 3HB ALA 13 HB3 ALA 13 -11.422 -4.409 -4.892 101 H ALA 14 HN ALA 14 -13.062 -1.596 -1.967 102 HA ALA 14 HA ALA 14 -11.328 -1.140 0.262 103 1HB ALA 14 HB1 ALA 14 -13.245 -0.314 1.227 104 2HB ALA 14 HB2 ALA 14 -14.231 -1.662 0.664 105 3HB ALA 14 HB3 ALA 14 -13.789 -0.365 -0.446 106 H GLY 15 HN GLY 15 -10.823 -2.423 1.967 107 1HA GLY 15 HA2 GLY 15 -11.023 -4.276 3.467 108 2HA GLY 15 HA1 GLY 15 -12.208 -4.970 2.365 109 H GLN 16 HN GLN 16 -9.836 -3.913 0.411 110 HA GLN 16 HA GLN 16 -8.704 -6.617 0.085 111 1HB GLN 16 HB2 GLN 16 -8.232 -5.854 -2.059 112 2HB GLN 16 HB1 GLN 16 -9.612 -4.845 -1.647 113 1HG GLN 16 HG2 GLN 16 -8.139 -2.999 -1.031 114 2HG GLN 16 HG1 GLN 16 -6.716 -4.013 -1.274 115 1HE2 GLN 16 HE21 GLN 16 -6.879 -5.162 -3.645 116 2HE2 GLN 16 HE22 GLN 16 -7.214 -4.072 -4.902 117 H THR 17 HN THR 17 -6.566 -7.118 0.773 118 HA THR 17 HA THR 17 -5.148 -5.360 2.476 119 HB THR 17 HB THR 17 -3.449 -6.929 2.435 120 HG1 THR 17 HG1 THR 17 -3.411 -8.385 0.456 121 1HG2 THR 17 HG21 THR 17 -5.913 -7.915 2.679 122 2HG2 THR 17 HG22 THR 17 -4.475 -8.938 2.752 123 3HG2 THR 17 HG23 THR 17 -5.400 -8.817 1.252 124 H VAL 18 HN VAL 18 -2.655 -5.266 1.742 125 HA VAL 18 HA VAL 18 -2.399 -3.069 -0.158 126 HB VAL 18 HB VAL 18 -0.520 -4.920 1.225 127 1HG1 VAL 18 HG11 VAL 18 -0.138 -2.637 -0.509 128 2HG1 VAL 18 HG12 VAL 18 1.014 -3.871 -0.005 129 3HG1 VAL 18 HG13 VAL 18 0.702 -2.480 1.032 130 1HG2 VAL 18 HG21 VAL 18 -2.232 -3.694 2.622 131 2HG2 VAL 18 HG22 VAL 18 -1.420 -2.211 2.124 132 3HG2 VAL 18 HG23 VAL 18 -0.547 -3.425 3.059 133 H HIS 19 HN HIS 19 -1.107 -6.390 0.155 134 HA HIS 19 HA HIS 19 0.080 -6.693 -2.393 135 1HB HIS 19 HB2 HIS 19 -0.004 -8.285 -0.397 136 2HB HIS 19 HB1 HIS 19 -1.670 -8.637 -0.830 137 HD1 HIS 19 HD1 HIS 19 0.565 -10.849 -0.900 138 HD2 HIS 19 HD2 HIS 19 -0.688 -8.663 -4.223 139 HE1 HIS 19 HE1 HIS 19 1.152 -12.234 -2.942 140 H GLU 20 HN GLU 20 -3.160 -6.498 -1.195 141 HA GLU 20 HA GLU 20 -4.420 -7.294 -3.773 142 1HB GLU 20 HB2 GLU 20 -5.411 -6.274 -1.095 143 2HB GLU 20 HB1 GLU 20 -6.494 -6.584 -2.450 144 1HG GLU 20 HG2 GLU 20 -4.800 -8.852 -2.204 145 2HG GLU 20 HG1 GLU 20 -5.388 -8.465 -0.587 146 H LEU 21 HN LEU 21 -3.839 -4.335 -1.860 147 HA LEU 21 HA LEU 21 -5.247 -2.619 -3.709 148 1HB LEU 21 HB2 LEU 21 -4.389 -2.353 -1.216 149 2HB LEU 21 HB1 LEU 21 -2.930 -1.754 -1.992 150 HG LEU 21 HG LEU 21 -5.171 -0.242 -1.344 151 1HD1 LEU 21 HD11 LEU 21 -3.732 1.402 -1.843 152 2HD1 LEU 21 HD12 LEU 21 -3.654 0.918 -3.538 153 3HD1 LEU 21 HD13 LEU 21 -2.605 0.144 -2.347 154 1HD2 LEU 21 HD21 LEU 21 -6.474 -1.131 -3.196 155 2HD2 LEU 21 HD22 LEU 21 -5.167 -0.803 -4.319 156 3HD2 LEU 21 HD23 LEU 21 -6.029 0.535 -3.563 157 H LEU 22 HN LEU 22 -1.756 -3.088 -3.141 158 HA LEU 22 HA LEU 22 -0.606 -1.660 -5.227 159 1HB LEU 22 HB2 LEU 22 -0.092 -4.344 -3.944 160 2HB LEU 22 HB1 LEU 22 0.983 -3.747 -5.210 161 HG LEU 22 HG LEU 22 0.324 -2.324 -2.621 162 1HD1 LEU 22 HD11 LEU 22 2.867 -3.603 -3.671 163 2HD1 LEU 22 HD12 LEU 22 1.857 -4.257 -2.379 164 3HD1 LEU 22 HD13 LEU 22 2.710 -2.732 -2.149 165 1HD2 LEU 22 HD21 LEU 22 0.883 -0.499 -3.820 166 2HD2 LEU 22 HD22 LEU 22 1.384 -1.476 -5.198 167 3HD2 LEU 22 HD23 LEU 22 2.515 -1.161 -3.884 168 H GLU 23 HN GLU 23 -1.615 -5.044 -5.328 169 HA GLU 23 HA GLU 23 -1.141 -5.619 -8.034 170 1HB GLU 23 HB2 GLU 23 -1.838 -7.168 -6.225 171 2HB GLU 23 HB1 GLU 23 -3.455 -6.465 -6.265 172 1HG GLU 23 HG2 GLU 23 -3.490 -7.088 -8.750 173 2HG GLU 23 HG1 GLU 23 -2.070 -8.078 -8.406 174 H GLN 24 HN GLN 24 -4.098 -4.211 -6.565 175 HA GLN 24 HA GLN 24 -5.607 -3.925 -8.980 176 1HB GLN 24 HB2 GLN 24 -6.318 -3.614 -6.533 177 2HB GLN 24 HB1 GLN 24 -5.550 -2.028 -6.612 178 1HG GLN 24 HG2 GLN 24 -7.843 -1.642 -7.142 179 2HG GLN 24 HG1 GLN 24 -6.981 -1.594 -8.684 180 1HE2 GLN 24 HE21 GLN 24 -9.266 -2.183 -9.517 181 2HE2 GLN 24 HE22 GLN 24 -9.665 -3.831 -9.574 182 H LEU 25 HN LEU 25 -3.289 -1.826 -7.332 183 HA LEU 25 HA LEU 25 -3.456 0.355 -9.226 184 1HB LEU 25 HB2 LEU 25 -1.694 -0.524 -6.942 185 2HB LEU 25 HB1 LEU 25 -1.243 0.877 -7.916 186 HG LEU 25 HG LEU 25 -3.664 1.688 -7.501 187 1HD1 LEU 25 HD11 LEU 25 -4.824 0.866 -5.606 188 2HD1 LEU 25 HD12 LEU 25 -3.448 -0.112 -5.099 189 3HD1 LEU 25 HD13 LEU 25 -4.368 -0.554 -6.535 190 1HD2 LEU 25 HD21 LEU 25 -1.593 2.649 -6.449 191 2HD2 LEU 25 HD22 LEU 25 -1.819 1.523 -5.110 192 3HD2 LEU 25 HD23 LEU 25 -3.023 2.769 -5.425 193 H ASP 26 HN ASP 26 -1.871 -2.686 -9.127 194 HA ASP 26 HA ASP 26 -0.653 -3.816 -10.807 195 1HB ASP 26 HB2 ASP 26 -1.953 -2.153 -12.258 196 2HB ASP 26 HB1 ASP 26 -0.518 -1.141 -12.188 197 H GLN 27 HN GLN 27 0.510 -2.666 -8.478 198 HA GLN 27 HA GLN 27 3.277 -2.188 -9.499 199 1HB GLN 27 HB2 GLN 27 2.454 -0.677 -7.077 200 2HB GLN 27 HB1 GLN 27 3.432 -0.144 -8.441 201 1HG GLN 27 HG2 GLN 27 1.092 -0.281 -9.718 202 2HG GLN 27 HG1 GLN 27 0.455 -0.065 -8.091 203 1HE2 GLN 27 HE21 GLN 27 3.043 1.522 -7.431 204 2HE2 GLN 27 HE22 GLN 27 2.755 3.052 -8.108 205 H ARG 28 HN ARG 28 4.158 -4.124 -8.738 206 HA ARG 28 HA ARG 28 3.305 -5.363 -6.267 207 1HB ARG 28 HB2 ARG 28 5.517 -5.744 -8.281 208 2HB ARG 28 HB1 ARG 28 5.401 -6.765 -6.844 209 1HG ARG 28 HG2 ARG 28 3.083 -6.325 -8.739 210 2HG ARG 28 HG1 ARG 28 4.213 -7.667 -8.907 211 1HD ARG 28 HD2 ARG 28 2.907 -7.181 -6.240 212 2HD ARG 28 HD1 ARG 28 2.012 -8.031 -7.514 213 HE ARG 28 HE ARG 28 4.729 -9.027 -7.233 214 1HH1 ARG 28 HH21 ARG 28 2.889 -8.957 -4.620 215 2HH1 ARG 28 HH22 ARG 28 2.424 -10.624 -4.589 216 1HH2 ARG 28 HH11 ARG 28 3.545 -11.269 -7.810 217 2HH2 ARG 28 HH12 ARG 28 2.799 -11.935 -6.395 218 H GLN 29 HN GLN 29 6.736 -5.302 -6.481 219 HA GLN 29 HA GLN 29 7.399 -2.960 -5.044 220 1HB GLN 29 HB2 GLN 29 7.438 -4.019 -2.735 221 2HB GLN 29 HB1 GLN 29 5.854 -3.678 -3.393 222 1HG GLN 29 HG2 GLN 29 6.817 -6.325 -4.142 223 2HG GLN 29 HG1 GLN 29 6.693 -6.124 -2.401 224 1HE2 GLN 29 HE21 GLN 29 4.971 -7.694 -4.371 225 2HE2 GLN 29 HE22 GLN 29 3.391 -7.136 -4.098 226 H ALA 30 HN ALA 30 8.107 -6.453 -5.328 227 HA ALA 30 HA ALA 30 10.184 -7.601 -5.217 228 1HB ALA 30 HB1 ALA 30 11.920 -6.426 -6.523 229 2HB ALA 30 HB2 ALA 30 10.963 -4.950 -6.441 230 3HB ALA 30 HB3 ALA 30 10.348 -6.353 -7.315 231 H GLY 31 HN GLY 31 9.532 -5.454 -2.972 232 1HA GLY 31 HA2 GLY 31 11.107 -5.713 -0.984 233 2HA GLY 31 HA1 GLY 31 12.363 -5.153 -2.090 234 H ALA 32 HN ALA 32 9.041 -3.975 -1.878 235 HA ALA 32 HA ALA 32 10.104 -1.227 -1.402 236 1HB ALA 32 HB1 ALA 32 8.617 -1.862 -3.379 237 2HB ALA 32 HB2 ALA 32 8.021 -0.523 -2.398 238 3HB ALA 32 HB3 ALA 32 7.323 -2.131 -2.210 239 H ALA 33 HN ALA 33 8.786 0.159 0.070 240 HA ALA 33 HA ALA 33 7.321 -1.407 2.169 241 1HB ALA 33 HB1 ALA 33 9.837 0.039 2.325 242 2HB ALA 33 HB2 ALA 33 9.088 -1.023 3.517 243 3HB ALA 33 HB3 ALA 33 8.654 0.684 3.465 244 H LEU 34 HN LEU 34 5.747 -0.013 3.353 245 HA LEU 34 HA LEU 34 5.260 2.630 2.104 246 1HB LEU 34 HB2 LEU 34 3.751 1.745 0.701 247 2HB LEU 34 HB1 LEU 34 4.022 0.154 1.396 248 HG LEU 34 HG LEU 34 2.125 2.207 2.582 249 1HD1 LEU 34 HD11 LEU 34 1.078 -0.257 1.302 250 2HD1 LEU 34 HD12 LEU 34 1.721 0.953 0.195 251 3HD1 LEU 34 HD13 LEU 34 0.414 1.376 1.301 252 1HD2 LEU 34 HD21 LEU 34 3.103 -0.447 3.382 253 2HD2 LEU 34 HD22 LEU 34 1.343 -0.330 3.354 254 3HD2 LEU 34 HD23 LEU 34 2.286 0.787 4.340 255 H ALA 35 HN ALA 35 3.697 3.951 3.301 256 HA ALA 35 HA ALA 35 3.184 2.927 6.082 257 1HB ALA 35 HB1 ALA 35 4.890 4.934 5.363 258 2HB ALA 35 HB2 ALA 35 4.061 4.875 6.915 259 3HB ALA 35 HB3 ALA 35 3.398 5.843 5.604 260 H ILE 36 HN ILE 36 1.009 2.599 6.266 261 HA ILE 36 HA ILE 36 -0.808 4.369 4.692 262 HB ILE 36 HB ILE 36 -1.311 1.743 6.138 263 1HG1 ILE 36 HG12 ILE 36 -0.815 2.394 3.217 264 2HG1 ILE 36 HG11 ILE 36 0.245 1.455 4.264 265 1HG2 ILE 36 HG21 ILE 36 -3.100 3.701 5.215 266 2HG2 ILE 36 HG22 ILE 36 -3.493 2.030 5.623 267 3HG2 ILE 36 HG23 ILE 36 -3.096 2.463 3.959 268 1HD1 ILE 36 HD11 ILE 36 -2.127 0.602 2.794 269 2HD1 ILE 36 HD12 ILE 36 -2.241 0.197 4.507 270 3HD1 ILE 36 HD13 ILE 36 -0.871 -0.377 3.556 271 H ASN 37 HN ASN 37 -1.839 5.972 5.805 272 HA ASN 37 HA ASN 37 -2.865 7.138 7.572 273 1HB ASN 37 HB2 ASN 37 -2.817 4.417 8.913 274 2HB ASN 37 HB1 ASN 37 -3.861 5.771 9.328 275 1HD2 ASN 37 HD21 ASN 37 -5.114 6.639 7.223 276 2HD2 ASN 37 HD22 ASN 37 -5.815 5.422 6.270 277 H GLN 38 HN GLN 38 0.053 6.891 7.385 278 HA GLN 38 HA GLN 38 1.890 7.690 8.614 279 1HB GLN 38 HB2 GLN 38 1.419 8.993 10.451 280 2HB GLN 38 HB1 GLN 38 -0.235 8.788 9.887 281 1HG GLN 38 HG2 GLN 38 -0.629 8.051 12.002 282 2HG GLN 38 HG1 GLN 38 0.093 6.545 11.445 283 1HE2 GLN 38 HE21 GLN 38 0.385 6.979 14.109 284 2HE2 GLN 38 HE22 GLN 38 1.958 7.486 14.493 285 H GLN 39 HN GLN 39 0.506 4.786 8.810 286 HA GLN 39 HA GLN 39 2.335 3.834 10.974 287 1HB GLN 39 HB2 GLN 39 0.851 2.018 11.249 288 2HB GLN 39 HB1 GLN 39 -0.234 3.348 10.868 289 1HG GLN 39 HG2 GLN 39 0.206 2.505 8.380 290 2HG GLN 39 HG1 GLN 39 0.541 0.996 9.212 291 1HE2 GLN 39 HE21 GLN 39 -1.463 1.923 11.402 292 2HE2 GLN 39 HE22 GLN 39 -2.978 1.568 10.722 293 H ILE 40 HN ILE 40 4.312 3.351 10.035 294 HA ILE 40 HA ILE 40 4.474 2.468 7.264 295 HB ILE 40 HB ILE 40 6.342 2.835 9.593 296 1HG1 ILE 40 HG12 ILE 40 7.511 4.042 7.521 297 2HG1 ILE 40 HG11 ILE 40 5.873 3.986 6.870 298 1HG2 ILE 40 HG21 ILE 40 6.747 1.007 7.276 299 2HG2 ILE 40 HG22 ILE 40 7.479 0.967 8.880 300 3HG2 ILE 40 HG23 ILE 40 8.087 2.087 7.661 301 1HD1 ILE 40 HD11 ILE 40 6.947 5.542 9.159 302 2HD1 ILE 40 HD12 ILE 40 5.336 4.858 9.376 303 3HD1 ILE 40 HD13 ILE 40 5.657 5.948 8.026 304 H VAL 41 HN VAL 41 3.776 0.445 6.716 305 HA VAL 41 HA VAL 41 3.996 -1.739 8.744 306 HB VAL 41 HB VAL 41 2.551 -1.569 6.099 307 1HG1 VAL 41 HG11 VAL 41 1.612 -3.664 6.609 308 2HG1 VAL 41 HG12 VAL 41 2.047 -3.551 8.314 309 3HG1 VAL 41 HG13 VAL 41 3.296 -3.845 7.103 310 1HG2 VAL 41 HG21 VAL 41 0.959 -1.745 8.558 311 2HG2 VAL 41 HG22 VAL 41 0.814 -0.598 7.225 312 3HG2 VAL 41 HG23 VAL 41 1.965 -0.296 8.526 313 HA PRO 42 HA PRO 42 7.179 -3.436 6.363 314 1HB PRO 42 HB2 PRO 42 7.061 -5.985 7.308 315 2HB PRO 42 HB1 PRO 42 7.807 -4.627 8.155 316 1HG PRO 42 HG2 PRO 42 5.216 -5.951 8.625 317 2HG PRO 42 HG1 PRO 42 6.305 -5.185 9.781 318 1HD PRO 42 HD2 PRO 42 3.990 -4.050 8.790 319 2HD PRO 42 HD1 PRO 42 5.333 -3.154 9.526 320 H ARG 43 HN ARG 43 7.055 -3.951 4.419 321 HA ARG 43 HA ARG 43 5.239 -4.497 2.583 322 1HB ARG 43 HB2 ARG 43 6.948 -6.162 1.564 323 2HB ARG 43 HB1 ARG 43 7.483 -4.519 1.902 324 1HG ARG 43 HG2 ARG 43 7.962 -5.886 4.290 325 2HG ARG 43 HG1 ARG 43 8.404 -7.039 3.037 326 1HD ARG 43 HD2 ARG 43 10.169 -5.767 2.298 327 2HD ARG 43 HD1 ARG 43 9.345 -4.234 2.654 328 HE ARG 43 HE ARG 43 10.885 -5.852 4.583 329 1HH1 ARG 43 HH11 ARG 43 11.003 -2.844 4.213 330 2HH1 ARG 43 HH12 ARG 43 10.175 -2.291 5.630 331 1HH2 ARG 43 HH21 ARG 43 8.777 -5.376 6.349 332 2HH2 ARG 43 HH22 ARG 43 8.924 -3.720 6.838 333 H GLU 44 HN GLU 44 6.680 -7.303 4.221 334 HA GLU 44 HA GLU 44 5.196 -9.347 3.165 335 1HB GLU 44 HB2 GLU 44 7.101 -9.470 4.667 336 2HB GLU 44 HB1 GLU 44 6.113 -8.874 5.999 337 1HG GLU 44 HG2 GLU 44 4.726 -10.864 5.948 338 2HG GLU 44 HG1 GLU 44 5.509 -11.424 4.469 339 H GLN 45 HN GLN 45 4.013 -7.017 5.560 340 HA GLN 45 HA GLN 45 1.637 -8.549 6.254 341 1HB GLN 45 HB2 GLN 45 2.489 -5.655 6.568 342 2HB GLN 45 HB1 GLN 45 0.970 -6.277 7.219 343 1HG GLN 45 HG2 GLN 45 2.685 -8.160 8.138 344 2HG GLN 45 HG1 GLN 45 3.747 -6.762 8.113 345 1HE2 GLN 45 HE21 GLN 45 3.334 -7.539 10.625 346 2HE2 GLN 45 HE22 GLN 45 2.160 -6.607 11.422 347 H TRP 46 HN TRP 46 2.440 -6.254 3.713 348 HA TRP 46 HA TRP 46 0.062 -5.204 2.844 349 1HB TRP 46 HB2 TRP 46 2.239 -6.661 1.316 350 2HB TRP 46 HB1 TRP 46 1.055 -5.601 0.557 351 HD1 TRP 46 HD1 TRP 46 2.004 -4.329 3.906 352 HE1 TRP 46 HE1 TRP 46 3.690 -2.394 3.701 353 HE3 TRP 46 HE3 TRP 46 3.258 -4.767 -1.020 354 HZ2 TRP 46 HZ2 TRP 46 5.364 -1.202 1.711 355 HZ3 TRP 46 HZ3 TRP 46 4.897 -3.212 -2.031 356 HH2 TRP 46 HH2 TRP 46 5.960 -1.433 -0.665 357 H ALA 47 HN ALA 47 1.062 -8.579 2.612 358 HA ALA 47 HA ALA 47 -1.093 -9.438 0.894 359 1HB ALA 47 HB1 ALA 47 0.028 -11.427 1.073 360 2HB ALA 47 HB2 ALA 47 0.268 -11.248 2.811 361 3HB ALA 47 HB3 ALA 47 1.287 -10.355 1.684 362 H GLN 48 HN GLN 48 -0.866 -8.857 4.327 363 HA GLN 48 HA GLN 48 -3.588 -10.080 4.635 364 1HB GLN 48 HB2 GLN 48 -1.399 -9.927 6.730 365 2HB GLN 48 HB1 GLN 48 -2.905 -10.841 6.826 366 1HG GLN 48 HG2 GLN 48 -2.113 -12.113 4.758 367 2HG GLN 48 HG1 GLN 48 -0.535 -11.365 5.019 368 1HE2 GLN 48 HE21 GLN 48 0.231 -11.617 7.471 369 2HE2 GLN 48 HE22 GLN 48 -0.016 -13.152 8.152 370 H HIS 49 HN HIS 49 -2.158 -7.296 4.236 371 HA HIS 49 HA HIS 49 -3.185 -5.822 6.586 372 1HB HIS 49 HB2 HIS 49 -0.905 -5.537 5.597 373 2HB HIS 49 HB1 HIS 49 -1.671 -4.944 4.121 374 HD1 HIS 49 HD1 HIS 49 -1.024 -4.034 7.699 375 HD2 HIS 49 HD2 HIS 49 -2.844 -2.352 4.349 376 HE1 HIS 49 HE1 HIS 49 -1.502 -1.619 8.286 377 H ILE 50 HN ILE 50 -5.474 -6.377 5.849 378 HA ILE 50 HA ILE 50 -6.672 -5.640 3.454 379 HB ILE 50 HB ILE 50 -7.706 -5.511 6.302 380 1HG1 ILE 50 HG12 ILE 50 -6.727 -7.681 5.403 381 2HG1 ILE 50 HG11 ILE 50 -8.407 -7.776 5.926 382 1HG2 ILE 50 HG21 ILE 50 -9.581 -4.646 5.395 383 2HG2 ILE 50 HG22 ILE 50 -9.781 -6.175 4.541 384 3HG2 ILE 50 HG23 ILE 50 -8.948 -4.833 3.758 385 1HD1 ILE 50 HD11 ILE 50 -9.214 -7.720 3.690 386 2HD1 ILE 50 HD12 ILE 50 -7.857 -8.845 3.664 387 3HD1 ILE 50 HD13 ILE 50 -7.652 -7.200 3.061 388 H VAL 51 HN VAL 51 -7.036 -3.787 2.497 389 HA VAL 51 HA VAL 51 -6.401 -1.211 3.823 390 HB VAL 51 HB VAL 51 -7.061 -1.947 0.952 391 1HG1 VAL 51 HG11 VAL 51 -5.340 0.055 0.755 392 2HG1 VAL 51 HG12 VAL 51 -5.973 0.447 2.355 393 3HG1 VAL 51 HG13 VAL 51 -7.066 0.353 0.971 394 1HG2 VAL 51 HG21 VAL 51 -4.971 -2.778 0.690 395 2HG2 VAL 51 HG22 VAL 51 -4.969 -2.972 2.441 396 3HG2 VAL 51 HG23 VAL 51 -4.249 -1.541 1.707 397 H GLN 52 HN GLN 52 -7.954 0.490 3.967 398 HA GLN 52 HA GLN 52 -10.806 -0.356 3.567 399 1HB GLN 52 HB2 GLN 52 -9.418 1.616 5.368 400 2HB GLN 52 HB1 GLN 52 -11.173 1.506 5.235 401 1HG GLN 52 HG2 GLN 52 -11.032 -0.064 6.877 402 2HG GLN 52 HG1 GLN 52 -10.430 -1.137 5.613 403 1HE2 GLN 52 HE21 GLN 52 -8.863 -2.274 6.848 404 2HE2 GLN 52 HE22 GLN 52 -7.518 -1.524 7.561 405 H ASP 53 HN ASP 53 -12.317 1.190 2.868 406 HA ASP 53 HA ASP 53 -11.751 2.836 0.680 407 1HB ASP 53 HB2 ASP 53 -13.979 3.638 1.044 408 2HB ASP 53 HB1 ASP 53 -13.936 1.940 1.520 409 H GLY 54 HN GLY 54 -10.397 4.443 0.702 410 1HA GLY 54 HA2 GLY 54 -9.997 6.828 1.230 411 2HA GLY 54 HA1 GLY 54 -10.543 6.490 2.881 412 H ASP 55 HN ASP 55 -8.830 3.933 1.606 413 HA ASP 55 HA ASP 55 -6.811 3.754 3.473 414 1HB ASP 55 HB2 ASP 55 -7.142 1.947 2.076 415 2HB ASP 55 HB1 ASP 55 -7.169 2.940 0.621 416 H GLN 56 HN GLN 56 -4.822 4.725 3.814 417 HA GLN 56 HA GLN 56 -3.866 6.712 1.760 418 1HB GLN 56 HB2 GLN 56 -4.453 7.871 3.776 419 2HB GLN 56 HB1 GLN 56 -3.769 6.595 4.787 420 1HG GLN 56 HG2 GLN 56 -1.724 7.507 4.703 421 2HG GLN 56 HG1 GLN 56 -1.784 7.624 2.951 422 1HE2 GLN 56 HE21 GLN 56 -0.638 9.795 3.418 423 2HE2 GLN 56 HE22 GLN 56 -1.616 11.139 3.765 424 H ILE 57 HN ILE 57 -1.607 6.575 1.225 425 HA ILE 57 HA ILE 57 -0.114 4.373 2.590 426 HB ILE 57 HB ILE 57 -0.606 4.751 -0.347 427 1HG1 ILE 57 HG12 ILE 57 -1.174 2.378 1.427 428 2HG1 ILE 57 HG11 ILE 57 -2.379 3.607 1.034 429 1HG2 ILE 57 HG21 ILE 57 0.755 2.526 -0.362 430 2HG2 ILE 57 HG22 ILE 57 1.367 3.110 1.184 431 3HG2 ILE 57 HG23 ILE 57 1.621 4.061 -0.275 432 1HD1 ILE 57 HD11 ILE 57 -1.973 1.376 -0.465 433 2HD1 ILE 57 HD12 ILE 57 -0.878 2.503 -1.265 434 3HD1 ILE 57 HD13 ILE 57 -2.592 2.891 -1.121 435 H LEU 58 HN LEU 58 2.094 4.648 2.686 436 HA LEU 58 HA LEU 58 3.249 7.090 1.401 437 1HB LEU 58 HB2 LEU 58 3.202 6.691 4.008 438 2HB LEU 58 HB1 LEU 58 4.514 5.563 3.668 439 HG LEU 58 HG LEU 58 4.618 8.355 2.554 440 1HD1 LEU 58 HD11 LEU 58 6.173 8.285 4.911 441 2HD1 LEU 58 HD12 LEU 58 4.588 7.654 5.361 442 3HD1 LEU 58 HD13 LEU 58 4.726 9.248 4.618 443 1HD2 LEU 58 HD21 LEU 58 6.225 6.360 2.024 444 2HD2 LEU 58 HD22 LEU 58 6.886 6.684 3.624 445 3HD2 LEU 58 HD23 LEU 58 6.927 7.937 2.383 446 H LEU 59 HN LEU 59 5.222 6.644 0.123 447 HA LEU 59 HA LEU 59 5.496 3.714 -0.426 448 1HB LEU 59 HB2 LEU 59 4.709 5.334 -2.195 449 2HB LEU 59 HB1 LEU 59 6.307 6.078 -2.131 450 HG LEU 59 HG LEU 59 5.993 4.314 -3.942 451 1HD1 LEU 59 HD11 LEU 59 8.180 4.951 -2.357 452 2HD1 LEU 59 HD12 LEU 59 8.233 4.028 -3.859 453 3HD1 LEU 59 HD13 LEU 59 8.148 3.188 -2.311 454 1HD2 LEU 59 HD21 LEU 59 6.383 2.280 -1.772 455 2HD2 LEU 59 HD22 LEU 59 5.709 2.073 -3.387 456 3HD2 LEU 59 HD23 LEU 59 4.748 2.839 -2.123 457 H PHE 60 HN PHE 60 7.455 2.712 -0.314 458 HA PHE 60 HA PHE 60 9.859 4.374 0.357 459 1HB PHE 60 HB2 PHE 60 8.913 1.686 1.394 460 2HB PHE 60 HB1 PHE 60 10.544 2.296 1.668 461 HD1 PHE 60 HD1 PHE 60 6.942 3.183 2.127 462 HD2 PHE 60 HD2 PHE 60 10.982 3.810 3.415 463 HE1 PHE 60 HE1 PHE 60 6.120 4.543 4.029 464 HE2 PHE 60 HE2 PHE 60 10.166 5.177 5.318 465 HZ PHE 60 HZ PHE 60 7.730 5.542 5.627 466 H GLN 61 HN GLN 61 11.711 3.863 -0.818 467 HA GLN 61 HA GLN 61 11.335 2.179 -3.211 468 1HB GLN 61 HB2 GLN 61 12.313 4.531 -3.075 469 2HB GLN 61 HB1 GLN 61 13.728 3.802 -2.316 470 1HG GLN 61 HG2 GLN 61 14.449 2.849 -4.261 471 2HG GLN 61 HG1 GLN 61 12.809 2.527 -4.832 472 1HE2 GLN 61 HE21 GLN 61 12.397 3.735 -6.689 473 2HE2 GLN 61 HE22 GLN 61 12.945 5.316 -6.966 474 H VAL 62 HN VAL 62 12.668 0.419 -3.758 475 HA VAL 62 HA VAL 62 13.346 -1.592 -2.062 476 HB VAL 62 HB VAL 62 13.587 -1.325 -4.613 477 1HG1 VAL 62 HG11 VAL 62 15.875 -0.841 -5.400 478 2HG1 VAL 62 HG12 VAL 62 16.371 -0.493 -3.745 479 3HG1 VAL 62 HG13 VAL 62 15.192 0.547 -4.548 480 1HG2 VAL 62 HG21 VAL 62 15.901 -2.866 -4.207 481 2HG2 VAL 62 HG22 VAL 62 14.242 -3.455 -4.292 482 3HG2 VAL 62 HG23 VAL 62 14.953 -3.056 -2.730 483 H ILE 63 HN ILE 63 14.971 -2.094 -0.594 484 HA ILE 63 HA ILE 63 17.035 0.011 -0.053 485 HB ILE 63 HB ILE 63 16.821 -1.095 2.318 486 1HG1 ILE 63 HG12 ILE 63 15.245 -2.871 1.186 487 2HG1 ILE 63 HG11 ILE 63 14.874 -2.282 2.804 488 1HG2 ILE 63 HG21 ILE 63 14.829 0.423 2.791 489 2HG2 ILE 63 HG22 ILE 63 14.799 0.766 1.061 490 3HG2 ILE 63 HG23 ILE 63 16.216 1.189 2.021 491 1HD1 ILE 63 HD11 ILE 63 13.095 -2.291 0.716 492 2HD1 ILE 63 HD12 ILE 63 13.735 -0.650 0.623 493 3HD1 ILE 63 HD13 ILE 63 12.983 -1.222 2.113 494 H ALA 64 HN ALA 64 18.735 -1.001 -1.198 495 HA ALA 64 HA ALA 64 19.460 -3.738 -0.213 496 1HB ALA 64 HB1 ALA 64 20.196 -4.183 -2.471 497 2HB ALA 64 HB2 ALA 64 19.966 -2.493 -2.924 498 3HB ALA 64 HB3 ALA 64 18.570 -3.506 -2.550 499 H GLY 65 HN GLY 65 21.820 -4.188 -0.265 500 1HA GLY 65 HA2 GLY 65 23.369 -2.144 0.986 501 2HA GLY 65 HA1 GLY 65 24.031 -3.628 0.297 502 H GLY 66 HN GLY 66 23.555 -0.244 -0.206 503 1HA GLY 66 HA2 GLY 66 24.564 1.167 -1.802 504 2HA GLY 66 HA1 GLY 66 25.407 -0.243 -2.444 Start of MODEL 9 1 1H MET 1 HT1 MET 1 14.750 2.130 2.548 2 2H MET 1 HT2 MET 1 15.494 1.414 1.200 3 3H MET 1 HT3 MET 1 14.310 0.563 2.071 4 HA MET 1 HA MET 1 13.988 2.563 0.014 5 1HB MET 1 HB2 MET 1 12.531 1.010 -0.701 6 2HB MET 1 HB1 MET 1 13.361 -0.016 0.459 7 1HG MET 1 HG2 MET 1 11.193 -0.350 1.093 8 2HG MET 1 HG1 MET 1 11.612 1.026 2.114 9 1HE MET 1 HE1 MET 1 10.451 0.122 -1.489 10 2HE MET 1 HE2 MET 1 8.881 0.916 -1.549 11 3HE MET 1 HE3 MET 1 9.162 -0.379 -0.388 12 H GLN 2 HN GLN 2 11.864 3.709 -0.066 13 HA GLN 2 HA GLN 2 10.765 4.464 2.583 14 1HB GLN 2 HB2 GLN 2 12.721 5.898 2.066 15 2HB GLN 2 HB1 GLN 2 11.958 6.349 0.545 16 1HG GLN 2 HG2 GLN 2 9.968 7.085 2.096 17 2HG GLN 2 HG1 GLN 2 11.217 7.136 3.340 18 1HE2 GLN 2 HE21 GLN 2 10.572 9.589 3.138 19 2HE2 GLN 2 HE22 GLN 2 11.462 10.502 2.017 20 H ILE 3 HN ILE 3 8.818 5.651 2.402 21 HA ILE 3 HA ILE 3 7.508 5.541 -0.238 22 HB ILE 3 HB ILE 3 6.064 3.920 0.478 23 1HG1 ILE 3 HG12 ILE 3 6.305 5.291 3.099 24 2HG1 ILE 3 HG11 ILE 3 4.864 4.729 2.261 25 1HG2 ILE 3 HG21 ILE 3 7.270 2.226 1.795 26 2HG2 ILE 3 HG22 ILE 3 8.388 3.468 2.368 27 3HG2 ILE 3 HG23 ILE 3 8.347 3.033 0.665 28 1HD1 ILE 3 HD11 ILE 3 6.871 2.937 3.668 29 2HD1 ILE 3 HD12 ILE 3 5.389 2.406 2.881 30 3HD1 ILE 3 HD13 ILE 3 5.305 3.413 4.326 31 H LEU 4 HN LEU 4 5.227 6.323 0.036 32 HA LEU 4 HA LEU 4 5.049 8.472 2.092 33 1HB LEU 4 HB2 LEU 4 5.508 9.344 -0.202 34 2HB LEU 4 HB1 LEU 4 4.083 8.479 -0.791 35 HG LEU 4 HG LEU 4 3.736 10.977 -0.156 36 1HD1 LEU 4 HD11 LEU 4 1.552 10.452 0.146 37 2HD1 LEU 4 HD12 LEU 4 1.904 9.363 1.493 38 3HD1 LEU 4 HD13 LEU 4 2.098 8.807 -0.169 39 1HD2 LEU 4 HD21 LEU 4 5.080 10.393 2.066 40 2HD2 LEU 4 HD22 LEU 4 3.480 9.940 2.624 41 3HD2 LEU 4 HD23 LEU 4 3.786 11.588 2.073 42 H PHE 5 HN PHE 5 3.516 7.579 3.459 43 HA PHE 5 HA PHE 5 1.252 6.120 2.192 44 1HB PHE 5 HB2 PHE 5 2.653 4.923 3.829 45 2HB PHE 5 HB1 PHE 5 2.329 6.170 5.032 46 HD1 PHE 5 HD1 PHE 5 0.554 5.890 6.494 47 HD2 PHE 5 HD2 PHE 5 0.518 3.822 2.734 48 HE1 PHE 5 HE1 PHE 5 -1.517 4.708 7.165 49 HE2 PHE 5 HE2 PHE 5 -1.553 2.637 3.403 50 HZ PHE 5 HZ PHE 5 -2.572 3.081 5.620 51 H ASN 6 HN ASN 6 -0.274 7.708 1.738 52 HA ASN 6 HA ASN 6 -1.832 9.386 2.140 53 1HB ASN 6 HB2 ASN 6 -2.199 7.701 4.106 54 2HB ASN 6 HB1 ASN 6 -1.391 8.926 5.085 55 1HD2 ASN 6 HD21 ASN 6 -3.887 9.051 2.461 56 2HD2 ASN 6 HD22 ASN 6 -4.935 10.078 3.315 57 H ASP 7 HN ASP 7 0.376 10.326 1.467 58 HA ASP 7 HA ASP 7 1.796 12.182 1.471 59 1HB ASP 7 HB2 ASP 7 -0.065 13.289 3.549 60 2HB ASP 7 HB1 ASP 7 0.768 14.139 2.248 61 H GLN 8 HN GLN 8 1.923 9.985 3.666 62 HA GLN 8 HA GLN 8 3.627 11.539 5.602 63 1HB GLN 8 HB2 GLN 8 2.216 8.871 5.888 64 2HB GLN 8 HB1 GLN 8 3.156 9.673 7.146 65 1HG GLN 8 HG2 GLN 8 1.120 11.383 5.906 66 2HG GLN 8 HG1 GLN 8 0.461 10.000 6.778 67 1HE2 GLN 8 HE21 GLN 8 -0.260 11.072 8.687 68 2HE2 GLN 8 HE22 GLN 8 0.780 11.905 9.738 69 H ALA 9 HN ALA 9 5.764 11.229 5.172 70 HA ALA 9 HA ALA 9 6.732 9.217 3.358 71 1HB ALA 9 HB1 ALA 9 8.323 10.751 5.421 72 2HB ALA 9 HB2 ALA 9 7.674 11.511 3.965 73 3HB ALA 9 HB3 ALA 9 8.853 10.204 3.828 74 H MET 10 HN MET 10 7.976 7.361 3.772 75 HA MET 10 HA MET 10 8.165 6.339 6.597 76 1HB MET 10 HB2 MET 10 6.077 5.705 4.995 77 2HB MET 10 HB1 MET 10 7.257 4.505 4.490 78 1HG MET 10 HG2 MET 10 6.341 3.337 6.217 79 2HG MET 10 HG1 MET 10 7.558 4.231 7.118 80 1HE MET 10 HE1 MET 10 3.095 4.873 6.800 81 2HE MET 10 HE2 MET 10 4.205 4.039 5.716 82 3HE MET 10 HE3 MET 10 4.061 5.792 5.639 83 H GLN 11 HN GLN 11 9.101 4.006 6.451 84 HA GLN 11 HA GLN 11 10.921 3.577 4.186 85 1HB GLN 11 HB2 GLN 11 12.214 3.006 6.722 86 2HB GLN 11 HB1 GLN 11 12.835 3.876 5.329 87 1HG GLN 11 HG2 GLN 11 11.575 5.899 6.055 88 2HG GLN 11 HG1 GLN 11 11.047 5.026 7.496 89 1HE2 GLN 11 HE21 GLN 11 13.685 6.801 6.075 90 2HE2 GLN 11 HE22 GLN 11 14.775 6.612 7.362 91 H CYS 12 HN CYS 12 10.604 1.596 3.619 92 HA CYS 12 HA CYS 12 10.079 -0.561 5.635 93 1HB CYS 12 HB2 CYS 12 8.216 -1.329 4.345 94 2HB CYS 12 HB1 CYS 12 8.002 0.409 4.537 95 HG CYS 12 HG CYS 12 8.740 -1.030 1.894 96 H ALA 13 HN ALA 13 9.643 -2.546 3.700 97 HA ALA 13 HA ALA 13 12.387 -3.134 2.936 98 1HB ALA 13 HB1 ALA 13 9.806 -4.670 2.582 99 2HB ALA 13 HB2 ALA 13 10.819 -4.736 4.021 100 3HB ALA 13 HB3 ALA 13 11.433 -5.340 2.484 101 H ALA 14 HN ALA 14 13.024 -2.065 1.017 102 HA ALA 14 HA ALA 14 11.278 -1.476 -1.175 103 1HB ALA 14 HB1 ALA 14 13.188 -0.401 -1.687 104 2HB ALA 14 HB2 ALA 14 13.863 -1.951 -2.182 105 3HB ALA 14 HB3 ALA 14 14.092 -1.377 -0.532 106 H GLY 15 HN GLY 15 10.603 -2.734 -2.838 107 1HA GLY 15 HA2 GLY 15 10.696 -4.540 -4.409 108 2HA GLY 15 HA1 GLY 15 11.903 -5.299 -3.382 109 H GLN 16 HN GLN 16 9.669 -4.297 -1.260 110 HA GLN 16 HA GLN 16 8.431 -6.978 -1.090 111 1HB GLN 16 HB2 GLN 16 8.374 -6.485 1.138 112 2HB GLN 16 HB1 GLN 16 9.516 -5.227 0.688 113 1HG GLN 16 HG2 GLN 16 7.823 -3.549 0.665 114 2HG GLN 16 HG1 GLN 16 6.526 -4.743 0.674 115 1HE2 GLN 16 HE21 GLN 16 7.580 -2.519 2.675 116 2HE2 GLN 16 HE22 GLN 16 7.503 -3.325 4.166 117 H THR 17 HN THR 17 6.208 -7.314 -1.611 118 HA THR 17 HA THR 17 4.754 -5.429 -3.135 119 HB THR 17 HB THR 17 2.959 -6.910 -2.972 120 HG1 THR 17 HG1 THR 17 2.516 -8.067 -1.161 121 1HG2 THR 17 HG21 THR 17 3.828 -9.090 -3.197 122 2HG2 THR 17 HG22 THR 17 5.187 -8.745 -2.131 123 3HG2 THR 17 HG23 THR 17 5.116 -8.018 -3.737 124 H VAL 18 HN VAL 18 2.332 -5.183 -2.263 125 HA VAL 18 HA VAL 18 2.311 -3.031 -0.285 126 HB VAL 18 HB VAL 18 0.225 -4.727 -1.575 127 1HG1 VAL 18 HG11 VAL 18 -0.907 -2.309 -1.257 128 2HG1 VAL 18 HG12 VAL 18 0.128 -2.398 0.168 129 3HG1 VAL 18 HG13 VAL 18 -1.079 -3.650 -0.127 130 1HG2 VAL 18 HG21 VAL 18 1.334 -2.097 -2.485 131 2HG2 VAL 18 HG22 VAL 18 0.147 -3.093 -3.332 132 3HG2 VAL 18 HG23 VAL 18 1.805 -3.661 -3.144 133 H HIS 19 HN HIS 19 0.822 -6.246 -0.629 134 HA HIS 19 HA HIS 19 -0.233 -6.583 1.966 135 1HB HIS 19 HB2 HIS 19 -0.369 -8.077 -0.104 136 2HB HIS 19 HB1 HIS 19 1.291 -8.565 0.222 137 HD1 HIS 19 HD1 HIS 19 -2.181 -9.314 1.133 138 HD2 HIS 19 HD2 HIS 19 1.572 -9.915 2.849 139 HE1 HIS 19 HE1 HIS 19 -2.496 -11.049 2.950 140 H GLU 20 HN GLU 20 2.931 -6.550 0.569 141 HA GLU 20 HA GLU 20 4.315 -7.492 3.021 142 1HB GLU 20 HB2 GLU 20 5.053 -6.586 0.252 143 2HB GLU 20 HB1 GLU 20 6.302 -6.694 1.492 144 1HG GLU 20 HG2 GLU 20 4.444 -8.945 0.668 145 2HG GLU 20 HG1 GLU 20 6.143 -8.806 0.220 146 H LEU 21 HN LEU 21 3.710 -4.438 1.277 147 HA LEU 21 HA LEU 21 5.334 -2.838 3.080 148 1HB LEU 21 HB2 LEU 21 4.486 -2.444 0.639 149 2HB LEU 21 HB1 LEU 21 3.004 -1.886 1.402 150 HG LEU 21 HG LEU 21 5.345 -0.387 0.897 151 1HD1 LEU 21 HD11 LEU 21 3.991 1.325 2.313 152 2HD1 LEU 21 HD12 LEU 21 2.775 0.051 2.383 153 3HD1 LEU 21 HD13 LEU 21 3.285 0.698 0.823 154 1HD2 LEU 21 HD21 LEU 21 5.855 0.461 3.217 155 2HD2 LEU 21 HD22 LEU 21 6.411 -1.182 2.919 156 3HD2 LEU 21 HD23 LEU 21 4.950 -0.909 3.860 157 H LEU 22 HN LEU 22 1.774 -3.157 2.706 158 HA LEU 22 HA LEU 22 0.910 -1.665 4.912 159 1HB LEU 22 HB2 LEU 22 -0.015 -4.159 3.503 160 2HB LEU 22 HB1 LEU 22 -0.920 -3.549 4.888 161 HG LEU 22 HG LEU 22 -0.202 -1.882 2.471 162 1HD1 LEU 22 HD11 LEU 22 -2.112 -3.936 2.684 163 2HD1 LEU 22 HD12 LEU 22 -2.051 -2.678 1.447 164 3HD1 LEU 22 HD13 LEU 22 -3.017 -2.440 2.905 165 1HD2 LEU 22 HD21 LEU 22 -0.814 -0.206 3.843 166 2HD2 LEU 22 HD22 LEU 22 -1.196 -1.357 5.124 167 3HD2 LEU 22 HD23 LEU 22 -2.422 -0.927 3.931 168 H GLU 23 HN GLU 23 1.486 -5.171 4.838 169 HA GLU 23 HA GLU 23 1.139 -5.721 7.578 170 1HB GLU 23 HB2 GLU 23 1.509 -7.306 5.646 171 2HB GLU 23 HB1 GLU 23 3.230 -6.932 5.761 172 1HG GLU 23 HG2 GLU 23 2.719 -8.984 7.023 173 2HG GLU 23 HG1 GLU 23 3.226 -7.698 8.118 174 H GLN 24 HN GLN 24 4.142 -4.689 5.898 175 HA GLN 24 HA GLN 24 5.853 -4.769 8.189 176 1HB GLN 24 HB2 GLN 24 6.538 -4.508 5.801 177 2HB GLN 24 HB1 GLN 24 5.836 -2.889 5.801 178 1HG GLN 24 HG2 GLN 24 7.943 -3.704 7.808 179 2HG GLN 24 HG1 GLN 24 8.370 -3.051 6.226 180 1HE2 GLN 24 HE21 GLN 24 8.414 -1.927 9.174 181 2HE2 GLN 24 HE22 GLN 24 7.722 -0.388 8.991 182 H LEU 25 HN LEU 25 3.911 -2.156 6.770 183 HA LEU 25 HA LEU 25 4.460 -0.139 8.716 184 1HB LEU 25 HB2 LEU 25 2.106 -0.732 6.893 185 2HB LEU 25 HB1 LEU 25 2.373 0.818 7.692 186 HG LEU 25 HG LEU 25 4.554 -0.384 6.009 187 1HD1 LEU 25 HD11 LEU 25 3.027 -0.424 4.295 188 2HD1 LEU 25 HD12 LEU 25 3.400 1.299 4.246 189 3HD1 LEU 25 HD13 LEU 25 1.955 0.735 5.085 190 1HD2 LEU 25 HD21 LEU 25 5.001 1.630 7.384 191 2HD2 LEU 25 HD22 LEU 25 3.669 2.464 6.584 192 3HD2 LEU 25 HD23 LEU 25 5.098 1.998 5.662 193 H ASP 26 HN ASP 26 2.495 -2.978 8.740 194 HA ASP 26 HA ASP 26 1.349 -3.999 10.540 195 1HB ASP 26 HB2 ASP 26 2.982 -2.477 11.856 196 2HB ASP 26 HB1 ASP 26 1.608 -1.389 12.003 197 H GLN 27 HN GLN 27 0.174 -2.467 8.354 198 HA GLN 27 HA GLN 27 -2.443 -1.759 9.626 199 1HB GLN 27 HB2 GLN 27 -2.406 -0.091 7.511 200 2HB GLN 27 HB1 GLN 27 -1.713 0.370 9.062 201 1HG GLN 27 HG2 GLN 27 0.514 -0.456 8.261 202 2HG GLN 27 HG1 GLN 27 -0.211 -0.753 6.680 203 1HE2 GLN 27 HE21 GLN 27 -0.558 1.998 9.001 204 2HE2 GLN 27 HE22 GLN 27 -0.141 3.194 7.872 205 H ARG 28 HN ARG 28 -3.842 -3.342 8.886 206 HA ARG 28 HA ARG 28 -3.278 -4.778 6.406 207 1HB ARG 28 HB2 ARG 28 -5.298 -4.901 8.636 208 2HB ARG 28 HB1 ARG 28 -5.499 -5.887 7.188 209 1HG ARG 28 HG2 ARG 28 -2.959 -5.863 8.829 210 2HG ARG 28 HG1 ARG 28 -4.257 -7.035 9.060 211 1HD ARG 28 HD2 ARG 28 -4.006 -7.337 6.431 212 2HD ARG 28 HD1 ARG 28 -2.363 -6.753 6.761 213 HE ARG 28 HE ARG 28 -3.097 -8.720 8.719 214 1HH1 ARG 28 HH21 ARG 28 -2.540 -8.448 5.333 215 2HH1 ARG 28 HH22 ARG 28 -1.720 -9.968 5.210 216 1HH2 ARG 28 HH11 ARG 28 -1.891 -10.648 8.601 217 2HH2 ARG 28 HH12 ARG 28 -1.354 -11.211 7.053 218 H GLN 29 HN GLN 29 -6.614 -4.496 6.817 219 HA GLN 29 HA GLN 29 -7.280 -2.116 5.446 220 1HB GLN 29 HB2 GLN 29 -7.549 -3.303 3.155 221 2HB GLN 29 HB1 GLN 29 -5.945 -2.814 3.656 222 1HG GLN 29 HG2 GLN 29 -5.223 -4.943 3.586 223 2HG GLN 29 HG1 GLN 29 -6.513 -5.449 4.671 224 1HE2 GLN 29 HE21 GLN 29 -5.619 -7.025 2.390 225 2HE2 GLN 29 HE22 GLN 29 -6.918 -7.125 1.301 226 H ALA 30 HN ALA 30 -8.069 -5.632 5.551 227 HA ALA 30 HA ALA 30 -10.180 -6.689 5.855 228 1HB ALA 30 HB1 ALA 30 -11.136 -4.017 6.836 229 2HB ALA 30 HB2 ALA 30 -9.908 -4.893 7.752 230 3HB ALA 30 HB3 ALA 30 -11.493 -5.620 7.476 231 H GLY 31 HN GLY 31 -9.567 -4.751 3.487 232 1HA GLY 31 HA2 GLY 31 -11.261 -4.984 1.585 233 2HA GLY 31 HA1 GLY 31 -12.405 -4.267 2.723 234 H ALA 32 HN ALA 32 -9.234 -3.090 3.014 235 HA ALA 32 HA ALA 32 -10.013 -0.404 2.190 236 1HB ALA 32 HB1 ALA 32 -8.100 0.179 3.356 237 2HB ALA 32 HB2 ALA 32 -7.185 -1.188 2.719 238 3HB ALA 32 HB3 ALA 32 -8.334 -1.435 4.034 239 H ALA 33 HN ALA 33 -8.527 0.846 0.716 240 HA ALA 33 HA ALA 33 -7.271 -0.846 -1.408 241 1HB ALA 33 HB1 ALA 33 -8.701 1.529 -2.384 242 2HB ALA 33 HB2 ALA 33 -9.760 0.337 -1.634 243 3HB ALA 33 HB3 ALA 33 -8.733 -0.125 -2.989 244 H LEU 34 HN LEU 34 -5.652 0.459 -2.685 245 HA LEU 34 HA LEU 34 -4.924 3.035 -1.400 246 1HB LEU 34 HB2 LEU 34 -3.542 1.851 -0.051 247 2HB LEU 34 HB1 LEU 34 -3.721 0.399 -1.025 248 HG LEU 34 HG LEU 34 -1.950 2.699 -1.885 249 1HD1 LEU 34 HD11 LEU 34 -0.824 0.215 -0.647 250 2HD1 LEU 34 HD12 LEU 34 -1.465 1.456 0.431 251 3HD1 LEU 34 HD13 LEU 34 -0.159 1.846 -0.686 252 1HD2 LEU 34 HD21 LEU 34 -0.876 0.393 -2.857 253 2HD2 LEU 34 HD22 LEU 34 -2.046 1.366 -3.744 254 3HD2 LEU 34 HD23 LEU 34 -2.584 -0.044 -2.830 255 H ALA 35 HN ALA 35 -3.564 4.392 -2.735 256 HA ALA 35 HA ALA 35 -3.156 3.291 -5.509 257 1HB ALA 35 HB1 ALA 35 -4.726 5.430 -4.650 258 2HB ALA 35 HB2 ALA 35 -4.191 5.145 -6.306 259 3HB ALA 35 HB3 ALA 35 -3.258 6.203 -5.248 260 H ILE 36 HN ILE 36 -1.031 2.919 -5.784 261 HA ILE 36 HA ILE 36 0.926 4.599 -4.304 262 HB ILE 36 HB ILE 36 1.206 2.079 -5.978 263 1HG1 ILE 36 HG12 ILE 36 1.182 2.525 -2.973 264 2HG1 ILE 36 HG11 ILE 36 -0.102 1.771 -3.917 265 1HG2 ILE 36 HG21 ILE 36 3.415 2.540 -5.933 266 2HG2 ILE 36 HG22 ILE 36 3.354 2.335 -4.182 267 3HG2 ILE 36 HG23 ILE 36 3.158 3.939 -4.891 268 1HD1 ILE 36 HD11 ILE 36 1.536 0.181 -2.749 269 2HD1 ILE 36 HD12 ILE 36 2.725 0.713 -3.939 270 3HD1 ILE 36 HD13 ILE 36 1.251 -0.102 -4.464 271 H ASN 37 HN ASN 37 2.135 6.159 -5.408 272 HA ASN 37 HA ASN 37 2.856 7.472 -7.245 273 1HB ASN 37 HB2 ASN 37 2.501 4.821 -8.684 274 2HB ASN 37 HB1 ASN 37 3.518 6.162 -9.207 275 1HD2 ASN 37 HD21 ASN 37 4.294 3.335 -8.409 276 2HD2 ASN 37 HD22 ASN 37 5.437 3.531 -7.169 277 H GLN 38 HN GLN 38 -0.090 6.728 -6.645 278 HA GLN 38 HA GLN 38 -2.094 7.734 -7.424 279 1HB GLN 38 HB2 GLN 38 -2.013 9.147 -9.224 280 2HB GLN 38 HB1 GLN 38 -0.278 8.963 -8.995 281 1HG GLN 38 HG2 GLN 38 -0.792 6.810 -10.585 282 2HG GLN 38 HG1 GLN 38 -2.018 7.940 -11.161 283 1HE2 GLN 38 HE21 GLN 38 0.739 6.991 -12.284 284 2HE2 GLN 38 HE22 GLN 38 1.499 8.447 -12.711 285 H GLN 39 HN GLN 39 -0.580 4.921 -8.408 286 HA GLN 39 HA GLN 39 -2.748 4.024 -10.211 287 1HB GLN 39 HB2 GLN 39 -1.394 2.028 -10.432 288 2HB GLN 39 HB1 GLN 39 -0.297 3.404 -10.475 289 1HG GLN 39 HG2 GLN 39 -0.439 2.831 -7.776 290 2HG GLN 39 HG1 GLN 39 -0.505 1.235 -8.514 291 1HE2 GLN 39 HE21 GLN 39 1.086 2.142 -10.899 292 2HE2 GLN 39 HE22 GLN 39 2.684 2.279 -10.346 293 H ILE 40 HN ILE 40 -4.666 3.646 -9.091 294 HA ILE 40 HA ILE 40 -4.674 2.708 -6.335 295 HB ILE 40 HB ILE 40 -6.767 2.899 -8.534 296 1HG1 ILE 40 HG12 ILE 40 -7.671 4.602 -6.777 297 2HG1 ILE 40 HG11 ILE 40 -6.039 4.542 -6.108 298 1HG2 ILE 40 HG21 ILE 40 -8.449 2.337 -6.833 299 2HG2 ILE 40 HG22 ILE 40 -7.182 2.136 -5.623 300 3HG2 ILE 40 HG23 ILE 40 -7.285 1.021 -6.984 301 1HD1 ILE 40 HD11 ILE 40 -6.409 6.371 -7.819 302 2HD1 ILE 40 HD12 ILE 40 -6.626 5.103 -9.025 303 3HD1 ILE 40 HD13 ILE 40 -5.079 5.274 -8.196 304 H VAL 41 HN VAL 41 -4.176 0.608 -5.804 305 HA VAL 41 HA VAL 41 -4.620 -1.481 -7.894 306 HB VAL 41 HB VAL 41 -3.051 -1.633 -5.322 307 1HG1 VAL 41 HG11 VAL 41 -3.095 -3.326 -7.842 308 2HG1 VAL 41 HG12 VAL 41 -3.795 -3.765 -6.283 309 3HG1 VAL 41 HG13 VAL 41 -2.047 -3.597 -6.449 310 1HG2 VAL 41 HG21 VAL 41 -2.350 -0.648 -8.072 311 2HG2 VAL 41 HG22 VAL 41 -1.130 -1.538 -7.160 312 3HG2 VAL 41 HG23 VAL 41 -1.810 -0.048 -6.504 313 HA PRO 42 HA PRO 42 -7.754 -3.137 -5.350 314 1HB PRO 42 HB2 PRO 42 -7.745 -5.651 -6.381 315 2HB PRO 42 HB1 PRO 42 -8.510 -4.262 -7.158 316 1HG PRO 42 HG2 PRO 42 -5.889 -5.536 -7.714 317 2HG PRO 42 HG1 PRO 42 -7.090 -4.917 -8.857 318 1HD PRO 42 HD2 PRO 42 -4.864 -3.531 -8.199 319 2HD PRO 42 HD1 PRO 42 -6.400 -2.739 -8.613 320 H ARG 43 HN ARG 43 -7.469 -3.798 -3.436 321 HA ARG 43 HA ARG 43 -5.462 -4.487 -1.841 322 1HB ARG 43 HB2 ARG 43 -7.134 -6.229 -0.810 323 2HB ARG 43 HB1 ARG 43 -7.585 -4.531 -0.872 324 1HG ARG 43 HG2 ARG 43 -8.573 -5.308 -3.260 325 2HG ARG 43 HG1 ARG 43 -8.671 -6.843 -2.404 326 1HD ARG 43 HD2 ARG 43 -9.771 -5.419 -0.493 327 2HD ARG 43 HD1 ARG 43 -10.073 -4.252 -1.796 328 HE ARG 43 HE ARG 43 -11.505 -6.697 -1.468 329 1HH1 ARG 43 HH21 ARG 43 -12.084 -4.344 -3.369 330 2HH1 ARG 43 HH22 ARG 43 -12.031 -5.150 -4.901 331 1HH2 ARG 43 HH11 ARG 43 -10.476 -7.989 -3.654 332 2HH2 ARG 43 HH12 ARG 43 -11.131 -7.219 -5.061 333 H GLU 44 HN GLU 44 -7.195 -7.156 -3.416 334 HA GLU 44 HA GLU 44 -5.663 -9.317 -2.801 335 1HB GLU 44 HB2 GLU 44 -7.729 -9.236 -4.096 336 2HB GLU 44 HB1 GLU 44 -6.863 -8.518 -5.453 337 1HG GLU 44 HG2 GLU 44 -5.679 -11.034 -4.457 338 2HG GLU 44 HG1 GLU 44 -7.296 -11.212 -5.144 339 H GLN 45 HN GLN 45 -4.825 -6.954 -5.365 340 HA GLN 45 HA GLN 45 -2.532 -8.450 -6.294 341 1HB GLN 45 HB2 GLN 45 -3.371 -5.546 -6.503 342 2HB GLN 45 HB1 GLN 45 -1.955 -6.193 -7.327 343 1HG GLN 45 HG2 GLN 45 -4.499 -7.698 -7.680 344 2HG GLN 45 HG1 GLN 45 -4.387 -6.130 -8.475 345 1HE2 GLN 45 HE21 GLN 45 -3.018 -5.932 -10.308 346 2HE2 GLN 45 HE22 GLN 45 -2.128 -7.231 -10.945 347 H TRP 46 HN TRP 46 -2.981 -6.071 -3.710 348 HA TRP 46 HA TRP 46 -0.501 -5.115 -3.119 349 1HB TRP 46 HB2 TRP 46 -2.553 -6.478 -1.346 350 2HB TRP 46 HB1 TRP 46 -1.229 -5.505 -0.718 351 HD1 TRP 46 HD1 TRP 46 -2.348 -3.980 -3.859 352 HE1 TRP 46 HE1 TRP 46 -3.906 -1.977 -3.414 353 HE3 TRP 46 HE3 TRP 46 -3.383 -4.769 1.067 354 HZ2 TRP 46 HZ2 TRP 46 -5.425 -0.869 -1.223 355 HZ3 TRP 46 HZ3 TRP 46 -4.886 -3.242 2.295 356 HH2 TRP 46 HH2 TRP 46 -5.910 -1.291 1.152 357 H ALA 47 HN ALA 47 -1.564 -8.457 -2.829 358 HA ALA 47 HA ALA 47 0.755 -9.388 -1.351 359 1HB ALA 47 HB1 ALA 47 -0.464 -11.517 -2.631 360 2HB ALA 47 HB2 ALA 47 -1.751 -10.316 -2.513 361 3HB ALA 47 HB3 ALA 47 -0.920 -10.865 -1.056 362 H GLN 48 HN GLN 48 0.152 -8.673 -4.666 363 HA GLN 48 HA GLN 48 2.647 -10.149 -5.439 364 1HB GLN 48 HB2 GLN 48 0.108 -9.586 -7.005 365 2HB GLN 48 HB1 GLN 48 1.548 -10.352 -7.676 366 1HG GLN 48 HG2 GLN 48 1.348 -12.189 -6.065 367 2HG GLN 48 HG1 GLN 48 -0.069 -11.423 -5.350 368 1HE2 GLN 48 HE21 GLN 48 0.934 -12.031 -8.768 369 2HE2 GLN 48 HE22 GLN 48 -0.529 -12.765 -9.217 370 H HIS 49 HN HIS 49 1.320 -7.212 -4.815 371 HA HIS 49 HA HIS 49 2.423 -5.741 -7.104 372 1HB HIS 49 HB2 HIS 49 0.235 -5.283 -5.993 373 2HB HIS 49 HB1 HIS 49 1.124 -4.827 -4.534 374 HD1 HIS 49 HD1 HIS 49 0.380 -3.680 -8.030 375 HD2 HIS 49 HD2 HIS 49 2.605 -2.385 -4.751 376 HE1 HIS 49 HE1 HIS 49 1.124 -1.316 -8.555 377 H ILE 50 HN ILE 50 4.696 -6.527 -6.521 378 HA ILE 50 HA ILE 50 6.099 -5.926 -4.188 379 HB ILE 50 HB ILE 50 6.828 -5.968 -7.113 380 1HG1 ILE 50 HG12 ILE 50 6.118 -8.075 -5.956 381 2HG1 ILE 50 HG11 ILE 50 7.784 -8.131 -6.535 382 1HG2 ILE 50 HG21 ILE 50 8.495 -5.300 -4.716 383 2HG2 ILE 50 HG22 ILE 50 8.594 -4.664 -6.359 384 3HG2 ILE 50 HG23 ILE 50 9.218 -6.275 -5.995 385 1HD1 ILE 50 HD11 ILE 50 8.643 -8.221 -4.432 386 2HD1 ILE 50 HD12 ILE 50 7.025 -8.756 -3.980 387 3HD1 ILE 50 HD13 ILE 50 7.479 -7.062 -3.799 388 H VAL 51 HN VAL 51 6.598 -4.092 -3.228 389 HA VAL 51 HA VAL 51 6.112 -1.449 -4.516 390 HB VAL 51 HB VAL 51 6.793 -2.227 -1.659 391 1HG1 VAL 51 HG11 VAL 51 6.590 0.223 -2.936 392 2HG1 VAL 51 HG12 VAL 51 6.505 -0.052 -1.195 393 3HG1 VAL 51 HG13 VAL 51 5.024 0.027 -2.152 394 1HG2 VAL 51 HG21 VAL 51 4.610 -3.182 -2.981 395 2HG2 VAL 51 HG22 VAL 51 3.990 -1.625 -2.435 396 3HG2 VAL 51 HG23 VAL 51 4.607 -2.786 -1.262 397 H GLN 52 HN GLN 52 7.811 0.111 -4.658 398 HA GLN 52 HA GLN 52 10.579 -0.961 -4.180 399 1HB GLN 52 HB2 GLN 52 9.509 1.071 -6.142 400 2HB GLN 52 HB1 GLN 52 11.190 0.559 -6.020 401 1HG GLN 52 HG2 GLN 52 8.937 -1.404 -6.515 402 2HG GLN 52 HG1 GLN 52 9.798 -0.606 -7.831 403 1HE2 GLN 52 HE21 GLN 52 9.974 -3.160 -5.479 404 2HE2 GLN 52 HE22 GLN 52 11.529 -3.706 -5.886 405 H ASP 53 HN ASP 53 12.197 0.592 -3.590 406 HA ASP 53 HA ASP 53 11.637 2.411 -1.521 407 1HB ASP 53 HB2 ASP 53 13.813 1.536 -1.897 408 2HB ASP 53 HB1 ASP 53 13.836 2.154 -3.545 409 H GLY 54 HN GLY 54 10.321 4.016 -1.744 410 1HA GLY 54 HA2 GLY 54 10.196 6.436 -2.486 411 2HA GLY 54 HA1 GLY 54 10.387 5.802 -4.132 412 H ASP 55 HN ASP 55 8.790 3.558 -2.332 413 HA ASP 55 HA ASP 55 6.427 3.373 -3.708 414 1HB ASP 55 HB2 ASP 55 7.161 1.730 -2.161 415 2HB ASP 55 HB1 ASP 55 7.177 2.883 -0.835 416 H GLN 56 HN GLN 56 5.034 5.102 -4.095 417 HA GLN 56 HA GLN 56 4.318 6.927 -1.844 418 1HB GLN 56 HB2 GLN 56 4.725 8.055 -3.903 419 2HB GLN 56 HB1 GLN 56 3.919 6.802 -4.843 420 1HG GLN 56 HG2 GLN 56 2.187 8.256 -4.848 421 2HG GLN 56 HG1 GLN 56 1.874 7.626 -3.242 422 1HE2 GLN 56 HE21 GLN 56 0.917 9.936 -2.975 423 2HE2 GLN 56 HE22 GLN 56 1.991 11.156 -2.483 424 H ILE 57 HN ILE 57 2.025 7.006 -1.158 425 HA ILE 57 HA ILE 57 0.365 4.744 -2.191 426 HB ILE 57 HB ILE 57 1.198 5.313 0.640 427 1HG1 ILE 57 HG12 ILE 57 1.390 2.785 -1.004 428 2HG1 ILE 57 HG11 ILE 57 2.710 3.944 -0.825 429 1HG2 ILE 57 HG21 ILE 57 -1.036 4.771 0.959 430 2HG2 ILE 57 HG22 ILE 57 -0.292 3.170 0.979 431 3HG2 ILE 57 HG23 ILE 57 -1.097 3.754 -0.480 432 1HD1 ILE 57 HD11 ILE 57 3.216 2.564 0.946 433 2HD1 ILE 57 HD12 ILE 57 1.537 2.082 1.187 434 3HD1 ILE 57 HD13 ILE 57 2.097 3.653 1.758 435 H LEU 58 HN LEU 58 -1.836 4.987 -1.964 436 HA LEU 58 HA LEU 58 -2.855 7.523 -0.778 437 1HB LEU 58 HB2 LEU 58 -3.175 6.320 -3.415 438 2HB LEU 58 HB1 LEU 58 -4.713 6.729 -2.664 439 HG LEU 58 HG LEU 58 -3.288 8.974 -2.111 440 1HD1 LEU 58 HD11 LEU 58 -1.788 7.582 -4.121 441 2HD1 LEU 58 HD12 LEU 58 -1.458 9.159 -3.400 442 3HD1 LEU 58 HD13 LEU 58 -2.476 9.041 -4.837 443 1HD2 LEU 58 HD21 LEU 58 -5.043 8.188 -4.427 444 2HD2 LEU 58 HD22 LEU 58 -4.377 9.819 -4.344 445 3HD2 LEU 58 HD23 LEU 58 -5.421 9.225 -3.052 446 H LEU 59 HN LEU 59 -4.849 7.164 0.507 447 HA LEU 59 HA LEU 59 -5.236 4.249 1.060 448 1HB LEU 59 HB2 LEU 59 -4.326 5.668 2.862 449 2HB LEU 59 HB1 LEU 59 -5.755 6.694 2.773 450 HG LEU 59 HG LEU 59 -5.714 4.881 4.610 451 1HD1 LEU 59 HD11 LEU 59 -8.137 4.451 2.948 452 2HD1 LEU 59 HD12 LEU 59 -7.745 6.124 3.346 453 3HD1 LEU 59 HD13 LEU 59 -7.998 4.947 4.634 454 1HD2 LEU 59 HD21 LEU 59 -6.853 2.941 2.713 455 2HD2 LEU 59 HD22 LEU 59 -5.748 2.682 4.061 456 3HD2 LEU 59 HD23 LEU 59 -5.122 3.202 2.501 457 H PHE 60 HN PHE 60 -7.198 3.326 0.910 458 HA PHE 60 HA PHE 60 -9.543 5.057 0.194 459 1HB PHE 60 HB2 PHE 60 -8.645 2.308 -0.694 460 2HB PHE 60 HB1 PHE 60 -10.221 2.989 -1.106 461 HD1 PHE 60 HD1 PHE 60 -10.412 4.207 -3.081 462 HD2 PHE 60 HD2 PHE 60 -6.582 3.926 -1.154 463 HE1 PHE 60 HE1 PHE 60 -9.387 5.494 -4.938 464 HE2 PHE 60 HE2 PHE 60 -5.564 5.201 -3.009 465 HZ PHE 60 HZ PHE 60 -6.958 5.991 -4.900 466 H GLN 61 HN GLN 61 -11.499 4.549 1.245 467 HA GLN 61 HA GLN 61 -11.229 2.965 3.718 468 1HB GLN 61 HB2 GLN 61 -12.233 5.258 3.555 469 2HB GLN 61 HB1 GLN 61 -13.547 4.568 2.604 470 1HG GLN 61 HG2 GLN 61 -14.598 4.079 4.538 471 2HG GLN 61 HG1 GLN 61 -13.319 2.908 4.865 472 1HE2 GLN 61 HE21 GLN 61 -11.124 4.607 5.333 473 2HE2 GLN 61 HE22 GLN 61 -11.429 5.566 6.700 474 H VAL 62 HN VAL 62 -12.216 1.061 4.105 475 HA VAL 62 HA VAL 62 -12.954 -0.830 2.245 476 HB VAL 62 HB VAL 62 -12.652 -1.121 4.689 477 1HG1 VAL 62 HG11 VAL 62 -13.784 0.777 5.575 478 2HG1 VAL 62 HG12 VAL 62 -14.742 -0.609 6.091 479 3HG1 VAL 62 HG13 VAL 62 -15.280 0.374 4.730 480 1HG2 VAL 62 HG21 VAL 62 -15.353 -2.181 4.550 481 2HG2 VAL 62 HG22 VAL 62 -13.817 -3.047 4.530 482 3HG2 VAL 62 HG23 VAL 62 -14.504 -2.433 3.026 483 H ILE 63 HN ILE 63 -14.972 -1.521 1.330 484 HA ILE 63 HA ILE 63 -17.112 0.581 1.300 485 HB ILE 63 HB ILE 63 -16.602 -1.507 -0.825 486 1HG1 ILE 63 HG12 ILE 63 -15.350 0.520 -1.954 487 2HG1 ILE 63 HG11 ILE 63 -15.085 1.030 -0.284 488 1HG2 ILE 63 HG21 ILE 63 -17.659 1.316 -1.068 489 2HG2 ILE 63 HG22 ILE 63 -18.702 -0.075 -0.760 490 3HG2 ILE 63 HG23 ILE 63 -17.766 0.017 -2.254 491 1HD1 ILE 63 HD11 ILE 63 -13.639 -0.684 0.145 492 2HD1 ILE 63 HD12 ILE 63 -13.448 -0.700 -1.608 493 3HD1 ILE 63 HD13 ILE 63 -14.555 -1.831 -0.832 494 H ALA 64 HN ALA 64 -18.319 -0.375 3.015 495 HA ALA 64 HA ALA 64 -19.383 -3.108 2.415 496 1HB ALA 64 HB1 ALA 64 -17.715 -2.804 4.316 497 2HB ALA 64 HB2 ALA 64 -19.249 -3.547 4.769 498 3HB ALA 64 HB3 ALA 64 -18.951 -1.847 5.133 499 H GLY 65 HN GLY 65 -21.570 -3.431 3.595 500 1HA GLY 65 HA2 GLY 65 -23.298 -1.646 4.650 501 2HA GLY 65 HA1 GLY 65 -23.271 -1.105 2.970 502 H GLY 66 HN GLY 66 -24.579 -2.162 1.534 503 1HA GLY 66 HA2 GLY 66 -25.809 -3.985 0.613 504 2HA GLY 66 HA1 GLY 66 -25.418 -4.937 2.045 Start of MODEL 10 1 1H MET 1 HT1 MET 1 -14.746 0.607 -1.530 2 2H MET 1 HT2 MET 1 -13.326 0.081 -2.299 3 3H MET 1 HT3 MET 1 -14.098 1.503 -2.816 4 HA MET 1 HA MET 1 -13.666 2.082 -0.227 5 1HB MET 1 HB2 MET 1 -11.893 0.881 0.584 6 2HB MET 1 HB1 MET 1 -12.374 -0.282 -0.635 7 1HG MET 1 HG2 MET 1 -10.796 0.780 -2.235 8 2HG MET 1 HG1 MET 1 -10.265 1.862 -0.954 9 1HE MET 1 HE1 MET 1 -10.135 0.166 1.627 10 2HE MET 1 HE2 MET 1 -8.988 1.339 0.985 11 3HE MET 1 HE3 MET 1 -8.418 -0.237 1.530 12 H GLN 2 HN GLN 2 -11.476 3.461 -0.093 13 HA GLN 2 HA GLN 2 -10.681 4.499 -2.738 14 1HB GLN 2 HB2 GLN 2 -12.594 5.839 -2.241 15 2HB GLN 2 HB1 GLN 2 -12.091 6.026 -0.561 16 1HG GLN 2 HG2 GLN 2 -10.116 7.306 -1.282 17 2HG GLN 2 HG1 GLN 2 -10.607 7.119 -2.967 18 1HE2 GLN 2 HE21 GLN 2 -10.379 9.647 -1.301 19 2HE2 GLN 2 HE22 GLN 2 -11.912 10.371 -1.401 20 H ILE 3 HN ILE 3 -8.684 5.519 -2.683 21 HA ILE 3 HA ILE 3 -7.364 5.630 -0.049 22 HB ILE 3 HB ILE 3 -5.931 3.926 -0.615 23 1HG1 ILE 3 HG12 ILE 3 -6.214 5.050 -3.330 24 2HG1 ILE 3 HG11 ILE 3 -4.783 4.433 -2.524 25 1HG2 ILE 3 HG21 ILE 3 -8.251 3.012 -0.617 26 2HG2 ILE 3 HG22 ILE 3 -7.201 2.107 -1.707 27 3HG2 ILE 3 HG23 ILE 3 -8.336 3.289 -2.358 28 1HD1 ILE 3 HD11 ILE 3 -5.269 2.958 -4.379 29 2HD1 ILE 3 HD12 ILE 3 -6.958 2.816 -3.883 30 3HD1 ILE 3 HD13 ILE 3 -5.688 2.100 -2.895 31 H LEU 4 HN LEU 4 -5.018 6.270 -0.425 32 HA LEU 4 HA LEU 4 -4.758 8.253 -2.673 33 1HB LEU 4 HB2 LEU 4 -5.190 9.298 -0.419 34 2HB LEU 4 HB1 LEU 4 -3.769 8.455 0.204 35 HG LEU 4 HG LEU 4 -3.394 10.889 -0.602 36 1HD1 LEU 4 HD11 LEU 4 -1.220 10.320 -0.941 37 2HD1 LEU 4 HD12 LEU 4 -1.625 9.133 -2.184 38 3HD1 LEU 4 HD13 LEU 4 -1.772 8.712 -0.479 39 1HD2 LEU 4 HD21 LEU 4 -3.210 9.678 -3.304 40 2HD2 LEU 4 HD22 LEU 4 -3.516 11.356 -2.855 41 3HD2 LEU 4 HD23 LEU 4 -4.800 10.159 -2.743 42 H PHE 5 HN PHE 5 -3.360 7.165 -3.950 43 HA PHE 5 HA PHE 5 -1.100 5.748 -2.634 44 1HB PHE 5 HB2 PHE 5 -2.538 4.473 -4.178 45 2HB PHE 5 HB1 PHE 5 -2.227 5.643 -5.458 46 HD1 PHE 5 HD1 PHE 5 -0.919 2.823 -3.559 47 HD2 PHE 5 HD2 PHE 5 0.068 5.884 -6.405 48 HE1 PHE 5 HE1 PHE 5 1.173 1.620 -4.126 49 HE2 PHE 5 HE2 PHE 5 2.161 4.679 -6.976 50 HZ PHE 5 HZ PHE 5 2.715 2.549 -5.831 51 H ASN 6 HN ASN 6 0.502 7.316 -2.332 52 HA ASN 6 HA ASN 6 2.096 8.909 -2.934 53 1HB ASN 6 HB2 ASN 6 2.367 7.086 -4.737 54 2HB ASN 6 HB1 ASN 6 1.434 8.154 -5.786 55 1HD2 ASN 6 HD21 ASN 6 3.304 8.522 -7.192 56 2HD2 ASN 6 HD22 ASN 6 4.601 9.495 -6.689 57 H ASP 7 HN ASP 7 -0.030 9.985 -2.222 58 HA ASP 7 HA ASP 7 -1.403 11.877 -2.295 59 1HB ASP 7 HB2 ASP 7 0.449 12.744 -4.498 60 2HB ASP 7 HB1 ASP 7 -0.401 13.751 -3.327 61 H GLN 8 HN GLN 8 -1.685 9.561 -4.354 62 HA GLN 8 HA GLN 8 -3.374 11.066 -6.326 63 1HB GLN 8 HB2 GLN 8 -2.235 9.813 -7.792 64 2HB GLN 8 HB1 GLN 8 -1.379 9.029 -6.479 65 1HG GLN 8 HG2 GLN 8 -2.934 7.260 -6.369 66 2HG GLN 8 HG1 GLN 8 -4.141 8.153 -7.298 67 1HE2 GLN 8 HE21 GLN 8 -2.930 8.964 -9.569 68 2HE2 GLN 8 HE22 GLN 8 -2.208 7.681 -10.414 69 H ALA 9 HN ALA 9 -5.551 10.875 -5.899 70 HA ALA 9 HA ALA 9 -6.500 9.048 -3.867 71 1HB ALA 9 HB1 ALA 9 -7.674 11.018 -5.806 72 2HB ALA 9 HB2 ALA 9 -7.666 11.066 -4.045 73 3HB ALA 9 HB3 ALA 9 -8.745 9.960 -4.893 74 H MET 10 HN MET 10 -7.828 7.240 -4.134 75 HA MET 10 HA MET 10 -8.134 6.075 -6.892 76 1HB MET 10 HB2 MET 10 -6.043 5.490 -5.293 77 2HB MET 10 HB1 MET 10 -7.246 4.396 -4.633 78 1HG MET 10 HG2 MET 10 -6.287 3.057 -6.232 79 2HG MET 10 HG1 MET 10 -7.638 3.742 -7.127 80 1HE MET 10 HE1 MET 10 -4.005 3.682 -6.300 81 2HE MET 10 HE2 MET 10 -4.184 5.408 -6.005 82 3HE MET 10 HE3 MET 10 -3.207 4.850 -7.360 83 H GLN 11 HN GLN 11 -9.360 3.962 -6.716 84 HA GLN 11 HA GLN 11 -10.996 3.627 -4.293 85 1HB GLN 11 HB2 GLN 11 -12.416 3.394 -6.874 86 2HB GLN 11 HB1 GLN 11 -13.044 3.865 -5.310 87 1HG GLN 11 HG2 GLN 11 -13.104 5.909 -6.382 88 2HG GLN 11 HG1 GLN 11 -11.500 5.976 -5.661 89 1HE2 GLN 11 HE21 GLN 11 -10.958 3.710 -7.927 90 2HE2 GLN 11 HE22 GLN 11 -10.577 4.678 -9.265 91 H CYS 12 HN CYS 12 -10.708 1.649 -3.810 92 HA CYS 12 HA CYS 12 -10.697 -0.516 -5.853 93 1HB CYS 12 HB2 CYS 12 -8.606 -1.380 -4.661 94 2HB CYS 12 HB1 CYS 12 -8.401 0.060 -5.658 95 HG CYS 12 HG CYS 12 -9.042 0.964 -2.894 96 H ALA 13 HN ALA 13 -9.912 -2.558 -4.143 97 HA ALA 13 HA ALA 13 -12.382 -3.066 -2.789 98 1HB ALA 13 HB1 ALA 13 -11.640 -5.062 -3.521 99 2HB ALA 13 HB2 ALA 13 -10.563 -5.056 -2.124 100 3HB ALA 13 HB3 ALA 13 -9.994 -4.448 -3.678 101 H ALA 14 HN ALA 14 -12.837 -2.172 -0.891 102 HA ALA 14 HA ALA 14 -10.935 -1.418 1.132 103 1HB ALA 14 HB1 ALA 14 -12.856 -0.454 1.831 104 2HB ALA 14 HB2 ALA 14 -13.482 -2.051 2.248 105 3HB ALA 14 HB3 ALA 14 -13.760 -1.387 0.637 106 H GLY 15 HN GLY 15 -10.306 -2.581 2.974 107 1HA GLY 15 HA2 GLY 15 -10.073 -4.420 4.433 108 2HA GLY 15 HA1 GLY 15 -11.390 -5.203 3.567 109 H GLN 16 HN GLN 16 -9.186 -4.018 1.381 110 HA GLN 16 HA GLN 16 -8.074 -6.723 0.909 111 1HB GLN 16 HB2 GLN 16 -7.999 -6.015 -1.300 112 2HB GLN 16 HB1 GLN 16 -9.331 -5.041 -0.693 113 1HG GLN 16 HG2 GLN 16 -7.836 -3.137 -0.360 114 2HG GLN 16 HG1 GLN 16 -6.449 -4.107 -0.858 115 1HE2 GLN 16 HE21 GLN 16 -6.896 -5.233 -3.155 116 2HE2 GLN 16 HE22 GLN 16 -7.557 -4.206 -4.334 117 H THR 17 HN THR 17 -5.959 -7.084 1.657 118 HA THR 17 HA THR 17 -4.412 -5.264 3.062 119 HB THR 17 HB THR 17 -2.646 -6.763 2.852 120 HG1 THR 17 HG1 THR 17 -2.289 -7.962 1.001 121 1HG2 THR 17 HG21 THR 17 -3.545 -8.861 3.204 122 2HG2 THR 17 HG22 THR 17 -4.738 -8.675 1.920 123 3HG2 THR 17 HG23 THR 17 -4.961 -7.845 3.459 124 H VAL 18 HN VAL 18 -2.001 -5.028 2.137 125 HA VAL 18 HA VAL 18 -2.010 -2.851 0.181 126 HB VAL 18 HB VAL 18 0.095 -4.541 1.439 127 1HG1 VAL 18 HG11 VAL 18 0.156 -1.881 0.096 128 2HG1 VAL 18 HG12 VAL 18 1.062 -3.339 -0.309 129 3HG1 VAL 18 HG13 VAL 18 1.455 -2.434 1.153 130 1HG2 VAL 18 HG21 VAL 18 0.067 -3.133 3.311 131 2HG2 VAL 18 HG22 VAL 18 -1.638 -3.381 2.938 132 3HG2 VAL 18 HG23 VAL 18 -0.837 -1.888 2.450 133 H HIS 19 HN HIS 19 -0.502 -6.059 0.524 134 HA HIS 19 HA HIS 19 0.529 -6.418 -2.080 135 1HB HIS 19 HB2 HIS 19 0.636 -7.843 0.072 136 2HB HIS 19 HB1 HIS 19 -0.974 -8.406 -0.345 137 HD1 HIS 19 HD1 HIS 19 1.447 -10.363 -0.265 138 HD2 HIS 19 HD2 HIS 19 0.095 -8.465 -3.723 139 HE1 HIS 19 HE1 HIS 19 2.247 -11.772 -2.210 140 H GLU 20 HN GLU 20 -2.622 -6.334 -0.653 141 HA GLU 20 HA GLU 20 -4.051 -7.350 -3.046 142 1HB GLU 20 HB2 GLU 20 -4.747 -6.332 -0.308 143 2HB GLU 20 HB1 GLU 20 -6.010 -6.531 -1.523 144 1HG GLU 20 HG2 GLU 20 -4.081 -8.781 -1.084 145 2HG GLU 20 HG1 GLU 20 -5.365 -8.533 0.101 146 H LEU 21 HN LEU 21 -3.542 -4.253 -1.331 147 HA LEU 21 HA LEU 21 -5.145 -2.618 -3.092 148 1HB LEU 21 HB2 LEU 21 -4.016 -2.218 -0.759 149 2HB LEU 21 HB1 LEU 21 -2.586 -1.793 -1.695 150 HG LEU 21 HG LEU 21 -4.076 0.155 -1.039 151 1HD1 LEU 21 HD11 LEU 21 -2.603 -0.285 -3.318 152 2HD1 LEU 21 HD12 LEU 21 -3.312 1.263 -2.857 153 3HD1 LEU 21 HD13 LEU 21 -4.166 0.200 -3.976 154 1HD2 LEU 21 HD21 LEU 21 -6.194 -1.205 -1.542 155 2HD2 LEU 21 HD22 LEU 21 -5.873 -0.853 -3.241 156 3HD2 LEU 21 HD23 LEU 21 -6.158 0.465 -2.105 157 H LEU 22 HN LEU 22 -1.599 -2.964 -2.924 158 HA LEU 22 HA LEU 22 -0.766 -1.717 -5.253 159 1HB LEU 22 HB2 LEU 22 0.007 -4.227 -3.762 160 2HB LEU 22 HB1 LEU 22 0.917 -3.733 -5.186 161 HG LEU 22 HG LEU 22 0.384 -1.906 -2.843 162 1HD1 LEU 22 HD11 LEU 22 3.133 -2.700 -3.179 163 2HD1 LEU 22 HD12 LEU 22 2.133 -4.141 -3.003 164 3HD1 LEU 22 HD13 LEU 22 2.104 -2.891 -1.761 165 1HD2 LEU 22 HD21 LEU 22 2.550 -0.977 -4.126 166 2HD2 LEU 22 HD22 LEU 22 0.911 -0.520 -4.592 167 3HD2 LEU 22 HD23 LEU 22 1.755 -1.795 -5.466 168 H GLU 23 HN GLU 23 -1.759 -5.103 -4.935 169 HA GLU 23 HA GLU 23 -1.545 -5.959 -7.601 170 1HB GLU 23 HB2 GLU 23 -2.193 -7.276 -5.553 171 2HB GLU 23 HB1 GLU 23 -3.813 -6.590 -5.694 172 1HG GLU 23 HG2 GLU 23 -4.192 -7.656 -7.793 173 2HG GLU 23 HG1 GLU 23 -2.486 -8.067 -7.978 174 H GLN 24 HN GLN 24 -4.368 -4.327 -6.085 175 HA GLN 24 HA GLN 24 -6.074 -4.298 -8.382 176 1HB GLN 24 HB2 GLN 24 -6.514 -3.647 -5.931 177 2HB GLN 24 HB1 GLN 24 -5.716 -2.119 -6.305 178 1HG GLN 24 HG2 GLN 24 -8.131 -1.863 -6.561 179 2HG GLN 24 HG1 GLN 24 -7.340 -1.736 -8.133 180 1HE2 GLN 24 HE21 GLN 24 -9.528 -3.682 -6.200 181 2HE2 GLN 24 HE22 GLN 24 -9.904 -4.814 -7.408 182 H LEU 25 HN LEU 25 -3.825 -1.938 -7.098 183 HA LEU 25 HA LEU 25 -3.991 -0.017 -9.192 184 1HB LEU 25 HB2 LEU 25 -2.147 -0.748 -6.922 185 2HB LEU 25 HB1 LEU 25 -1.764 0.611 -7.986 186 HG LEU 25 HG LEU 25 -3.953 1.596 -7.520 187 1HD1 LEU 25 HD11 LEU 25 -5.383 0.697 -5.713 188 2HD1 LEU 25 HD12 LEU 25 -4.376 -0.739 -5.684 189 3HD1 LEU 25 HD13 LEU 25 -5.311 -0.351 -7.124 190 1HD2 LEU 25 HD21 LEU 25 -2.323 2.424 -6.029 191 2HD2 LEU 25 HD22 LEU 25 -2.234 0.891 -5.161 192 3HD2 LEU 25 HD23 LEU 25 -3.647 1.929 -4.974 193 H ASP 26 HN ASP 26 -2.456 -3.063 -8.935 194 HA ASP 26 HA ASP 26 -1.383 -4.328 -10.618 195 1HB ASP 26 HB2 ASP 26 -2.620 -2.573 -12.075 196 2HB ASP 26 HB1 ASP 26 -1.058 -1.772 -12.155 197 H GLN 27 HN GLN 27 -0.089 -3.074 -8.371 198 HA GLN 27 HA GLN 27 2.674 -2.847 -9.494 199 1HB GLN 27 HB2 GLN 27 2.343 -1.321 -7.055 200 2HB GLN 27 HB1 GLN 27 2.899 -0.770 -8.623 201 1HG GLN 27 HG2 GLN 27 0.428 -0.690 -9.308 202 2HG GLN 27 HG1 GLN 27 0.057 -0.876 -7.593 203 1HE2 GLN 27 HE21 GLN 27 2.683 0.993 -9.207 204 2HE2 GLN 27 HE22 GLN 27 2.253 2.481 -8.512 205 H ARG 28 HN ARG 28 4.336 -3.388 -7.663 206 HA ARG 28 HA ARG 28 3.106 -5.131 -5.591 207 1HB ARG 28 HB2 ARG 28 5.046 -5.836 -7.782 208 2HB ARG 28 HB1 ARG 28 5.033 -6.762 -6.279 209 1HG ARG 28 HG2 ARG 28 3.444 -7.972 -7.385 210 2HG ARG 28 HG1 ARG 28 2.391 -6.699 -6.765 211 1HD ARG 28 HD2 ARG 28 1.878 -6.790 -9.079 212 2HD ARG 28 HD1 ARG 28 3.012 -5.433 -8.957 213 HE ARG 28 HE ARG 28 4.767 -6.848 -9.826 214 1HH1 ARG 28 HH11 ARG 28 2.778 -7.481 -11.887 215 2HH1 ARG 28 HH12 ARG 28 2.712 -9.211 -11.855 216 1HH2 ARG 28 HH21 ARG 28 4.229 -9.478 -8.749 217 2HH2 ARG 28 HH22 ARG 28 3.533 -10.343 -10.078 218 H GLN 29 HN GLN 29 6.342 -5.798 -5.690 219 HA GLN 29 HA GLN 29 7.114 -3.472 -3.990 220 1HB GLN 29 HB2 GLN 29 7.676 -6.391 -3.383 221 2HB GLN 29 HB1 GLN 29 7.974 -5.007 -2.332 222 1HG GLN 29 HG2 GLN 29 5.925 -5.330 -1.470 223 2HG GLN 29 HG1 GLN 29 5.255 -4.846 -3.024 224 1HE2 GLN 29 HE21 GLN 29 4.344 -7.006 -1.073 225 2HE2 GLN 29 HE22 GLN 29 4.275 -8.423 -2.004 226 H ALA 30 HN ALA 30 8.729 -6.544 -4.851 227 HA ALA 30 HA ALA 30 10.820 -6.926 -5.903 228 1HB ALA 30 HB1 ALA 30 10.099 -6.082 -7.919 229 2HB ALA 30 HB2 ALA 30 11.292 -4.844 -7.527 230 3HB ALA 30 HB3 ALA 30 9.582 -4.554 -7.207 231 H GLY 31 HN GLY 31 10.357 -4.895 -3.514 232 1HA GLY 31 HA2 GLY 31 12.410 -4.364 -2.189 233 2HA GLY 31 HA1 GLY 31 13.087 -3.730 -3.691 234 H ALA 32 HN ALA 32 9.770 -3.297 -2.484 235 HA ALA 32 HA ALA 32 10.285 -0.338 -2.486 236 1HB ALA 32 HB1 ALA 32 8.419 -1.987 -3.847 237 2HB ALA 32 HB2 ALA 32 8.470 -0.225 -3.829 238 3HB ALA 32 HB3 ALA 32 7.500 -1.090 -2.642 239 H ALA 33 HN ALA 33 8.686 0.856 -1.058 240 HA ALA 33 HA ALA 33 7.716 -0.610 1.330 241 1HB ALA 33 HB1 ALA 33 8.989 1.329 2.623 242 2HB ALA 33 HB2 ALA 33 10.002 1.325 1.180 243 3HB ALA 33 HB3 ALA 33 9.848 -0.137 2.152 244 H LEU 34 HN LEU 34 6.191 0.804 2.564 245 HA LEU 34 HA LEU 34 5.482 3.337 1.195 246 1HB LEU 34 HB2 LEU 34 3.698 2.422 0.136 247 2HB LEU 34 HB1 LEU 34 4.358 0.859 0.580 248 HG LEU 34 HG LEU 34 3.057 1.439 2.885 249 1HD1 LEU 34 HD11 LEU 34 0.892 2.343 1.196 250 2HD1 LEU 34 HD12 LEU 34 2.262 3.445 1.109 251 3HD1 LEU 34 HD13 LEU 34 1.535 3.075 2.668 252 1HD2 LEU 34 HD21 LEU 34 2.520 -0.102 0.468 253 2HD2 LEU 34 HD22 LEU 34 1.024 0.421 1.242 254 3HD2 LEU 34 HD23 LEU 34 2.202 -0.525 2.151 255 H ALA 35 HN ALA 35 3.784 4.568 2.394 256 HA ALA 35 HA ALA 35 3.586 3.738 5.271 257 1HB ALA 35 HB1 ALA 35 4.907 5.970 4.064 258 2HB ALA 35 HB2 ALA 35 4.786 5.573 5.774 259 3HB ALA 35 HB3 ALA 35 3.550 6.568 5.013 260 H ILE 36 HN ILE 36 1.440 3.338 5.579 261 HA ILE 36 HA ILE 36 -0.527 4.850 3.934 262 HB ILE 36 HB ILE 36 -0.781 2.420 5.734 263 1HG1 ILE 36 HG12 ILE 36 -0.462 2.775 2.739 264 2HG1 ILE 36 HG11 ILE 36 0.620 1.916 3.833 265 1HG2 ILE 36 HG21 ILE 36 -3.015 2.449 5.321 266 2HG2 ILE 36 HG22 ILE 36 -2.777 2.872 3.626 267 3HG2 ILE 36 HG23 ILE 36 -2.779 4.134 4.857 268 1HD1 ILE 36 HD11 ILE 36 -2.265 1.089 3.510 269 2HD1 ILE 36 HD12 ILE 36 -0.921 0.148 4.158 270 3HD1 ILE 36 HD13 ILE 36 -1.006 0.490 2.430 271 H ASN 37 HN ASN 37 -1.815 6.421 4.876 272 HA ASN 37 HA ASN 37 -2.709 7.824 6.553 273 1HB ASN 37 HB2 ASN 37 -2.624 5.060 7.769 274 2HB ASN 37 HB1 ASN 37 -3.287 6.426 8.668 275 1HD2 ASN 37 HD21 ASN 37 -4.937 4.219 7.842 276 2HD2 ASN 37 HD22 ASN 37 -6.045 4.791 6.689 277 H GLN 38 HN GLN 38 0.275 7.367 6.330 278 HA GLN 38 HA GLN 38 2.101 8.452 7.390 279 1HB GLN 38 HB2 GLN 38 1.653 9.848 9.159 280 2HB GLN 38 HB1 GLN 38 -0.017 9.507 8.723 281 1HG GLN 38 HG2 GLN 38 0.380 7.418 10.349 282 2HG GLN 38 HG1 GLN 38 1.580 8.508 11.043 283 1HE2 GLN 38 HE21 GLN 38 -0.249 8.187 12.869 284 2HE2 GLN 38 HE22 GLN 38 -1.446 9.390 12.889 285 H GLN 39 HN GLN 39 0.668 5.540 8.104 286 HA GLN 39 HA GLN 39 2.695 4.774 10.134 287 1HB GLN 39 HB2 GLN 39 1.347 2.867 10.491 288 2HB GLN 39 HB1 GLN 39 0.165 4.110 10.094 289 1HG GLN 39 HG2 GLN 39 0.572 3.232 7.623 290 2HG GLN 39 HG1 GLN 39 1.094 1.779 8.468 291 1HE2 GLN 39 HE21 GLN 39 -0.624 1.503 10.566 292 2HE2 GLN 39 HE22 GLN 39 -2.236 1.426 10.040 293 H ILE 40 HN ILE 40 4.678 4.363 9.209 294 HA ILE 40 HA ILE 40 4.940 3.414 6.465 295 HB ILE 40 HB ILE 40 6.780 3.790 8.835 296 1HG1 ILE 40 HG12 ILE 40 7.797 5.480 7.269 297 2HG1 ILE 40 HG11 ILE 40 6.484 5.143 6.145 298 1HG2 ILE 40 HG21 ILE 40 8.269 2.363 7.925 299 2HG2 ILE 40 HG22 ILE 40 8.339 3.404 6.503 300 3HG2 ILE 40 HG23 ILE 40 7.197 2.062 6.559 301 1HD1 ILE 40 HD11 ILE 40 6.257 7.123 7.875 302 2HD1 ILE 40 HD12 ILE 40 5.830 5.828 8.993 303 3HD1 ILE 40 HD13 ILE 40 4.867 6.091 7.540 304 H VAL 41 HN VAL 41 4.240 1.313 6.050 305 HA VAL 41 HA VAL 41 4.794 -0.767 8.119 306 HB VAL 41 HB VAL 41 3.155 -0.848 5.584 307 1HG1 VAL 41 HG11 VAL 41 3.159 -2.741 7.950 308 2HG1 VAL 41 HG12 VAL 41 4.128 -3.006 6.502 309 3HG1 VAL 41 HG13 VAL 41 2.370 -2.969 6.390 310 1HG2 VAL 41 HG21 VAL 41 1.423 0.023 6.796 311 2HG2 VAL 41 HG22 VAL 41 2.633 0.488 7.995 312 3HG2 VAL 41 HG23 VAL 41 1.770 -1.042 8.159 313 HA PRO 42 HA PRO 42 7.963 -2.302 5.593 314 1HB PRO 42 HB2 PRO 42 8.106 -4.805 6.640 315 2HB PRO 42 HB1 PRO 42 8.781 -3.359 7.390 316 1HG PRO 42 HG2 PRO 42 6.306 -4.847 8.039 317 2HG PRO 42 HG1 PRO 42 7.423 -4.003 9.122 318 1HD PRO 42 HD2 PRO 42 5.004 -3.000 8.289 319 2HD PRO 42 HD1 PRO 42 6.364 -2.006 8.855 320 H ARG 43 HN ARG 43 7.716 -2.881 3.681 321 HA ARG 43 HA ARG 43 5.865 -3.687 1.997 322 1HB ARG 43 HB2 ARG 43 7.638 -5.347 1.013 323 2HB ARG 43 HB1 ARG 43 8.012 -3.632 1.108 324 1HG ARG 43 HG2 ARG 43 9.739 -4.025 2.494 325 2HG ARG 43 HG1 ARG 43 8.716 -4.951 3.588 326 1HD ARG 43 HD2 ARG 43 9.494 -6.930 2.781 327 2HD ARG 43 HD1 ARG 43 9.319 -6.394 1.099 328 HE ARG 43 HE ARG 43 11.692 -5.915 2.817 329 1HH1 ARG 43 HH11 ARG 43 11.202 -7.099 -0.102 330 2HH1 ARG 43 HH12 ARG 43 12.060 -5.902 -1.014 331 1HH2 ARG 43 HH21 ARG 43 12.272 -3.661 1.620 332 2HH2 ARG 43 HH22 ARG 43 12.665 -3.957 -0.041 333 H GLU 44 HN GLU 44 7.627 -6.368 3.512 334 HA GLU 44 HA GLU 44 6.178 -8.526 2.774 335 1HB GLU 44 HB2 GLU 44 8.142 -8.512 4.185 336 2HB GLU 44 HB1 GLU 44 7.231 -7.756 5.496 337 1HG GLU 44 HG2 GLU 44 5.962 -9.715 5.900 338 2HG GLU 44 HG1 GLU 44 6.372 -10.408 4.330 339 H GLN 45 HN GLN 45 5.273 -6.466 5.563 340 HA GLN 45 HA GLN 45 2.939 -7.831 6.361 341 1HB GLN 45 HB2 GLN 45 3.806 -4.937 6.365 342 2HB GLN 45 HB1 GLN 45 2.263 -5.420 7.070 343 1HG GLN 45 HG2 GLN 45 4.865 -6.752 7.838 344 2HG GLN 45 HG1 GLN 45 4.260 -5.320 8.673 345 1HE2 GLN 45 HE21 GLN 45 2.230 -5.531 9.891 346 2HE2 GLN 45 HE22 GLN 45 1.626 -7.057 10.323 347 H TRP 46 HN TRP 46 3.375 -5.557 3.675 348 HA TRP 46 HA TRP 46 0.895 -4.751 2.937 349 1HB TRP 46 HB2 TRP 46 3.036 -6.128 1.293 350 2HB TRP 46 HB1 TRP 46 1.690 -5.252 0.576 351 HD1 TRP 46 HD1 TRP 46 2.682 -3.535 3.664 352 HE1 TRP 46 HE1 TRP 46 4.162 -1.490 3.146 353 HE3 TRP 46 HE3 TRP 46 3.823 -4.482 -1.223 354 HZ2 TRP 46 HZ2 TRP 46 5.640 -0.414 0.949 355 HZ3 TRP 46 HZ3 TRP 46 5.275 -2.925 -2.498 356 HH2 TRP 46 HH2 TRP 46 6.186 -0.887 -1.402 357 H ALA 47 HN ALA 47 2.059 -8.061 2.809 358 HA ALA 47 HA ALA 47 -0.167 -9.141 1.312 359 1HB ALA 47 HB1 ALA 47 2.322 -9.859 1.874 360 2HB ALA 47 HB2 ALA 47 1.076 -11.060 1.517 361 3HB ALA 47 HB3 ALA 47 1.517 -10.713 3.191 362 H GLN 48 HN GLN 48 0.304 -8.378 4.680 363 HA GLN 48 HA GLN 48 -2.270 -9.784 5.296 364 1HB GLN 48 HB2 GLN 48 0.284 -9.539 6.921 365 2HB GLN 48 HB1 GLN 48 -1.231 -10.169 7.569 366 1HG GLN 48 HG2 GLN 48 -0.653 -11.455 5.058 367 2HG GLN 48 HG1 GLN 48 0.743 -11.598 6.127 368 1HE2 GLN 48 HE21 GLN 48 0.624 -13.268 7.647 369 2HE2 GLN 48 HE22 GLN 48 -0.809 -14.039 8.128 370 H HIS 49 HN HIS 49 -1.171 -6.943 4.640 371 HA HIS 49 HA HIS 49 -2.052 -5.465 7.055 372 1HB HIS 49 HB2 HIS 49 0.096 -5.049 5.817 373 2HB HIS 49 HB1 HIS 49 -0.865 -4.559 4.420 374 HD1 HIS 49 HD1 HIS 49 0.092 -3.476 7.885 375 HD2 HIS 49 HD2 HIS 49 -2.200 -2.059 4.709 376 HE1 HIS 49 HE1 HIS 49 -0.464 -1.062 8.426 377 H ILE 50 HN ILE 50 -4.368 -6.223 6.549 378 HA ILE 50 HA ILE 50 -5.800 -5.657 4.236 379 HB ILE 50 HB ILE 50 -6.580 -5.478 7.162 380 1HG1 ILE 50 HG12 ILE 50 -5.679 -7.662 6.288 381 2HG1 ILE 50 HG11 ILE 50 -7.346 -7.757 6.858 382 1HG2 ILE 50 HG21 ILE 50 -8.141 -4.279 5.565 383 2HG2 ILE 50 HG22 ILE 50 -8.877 -5.600 6.473 384 3HG2 ILE 50 HG23 ILE 50 -8.418 -5.837 4.787 385 1HD1 ILE 50 HD11 ILE 50 -6.682 -7.242 3.956 386 2HD1 ILE 50 HD12 ILE 50 -8.214 -7.774 4.647 387 3HD1 ILE 50 HD13 ILE 50 -6.837 -8.874 4.602 388 H VAL 51 HN VAL 51 -6.332 -3.863 3.246 389 HA VAL 51 HA VAL 51 -5.729 -1.193 4.409 390 HB VAL 51 HB VAL 51 -6.619 -2.032 1.628 391 1HG1 VAL 51 HG11 VAL 51 -4.684 0.120 1.919 392 2HG1 VAL 51 HG12 VAL 51 -6.178 0.452 2.797 393 3HG1 VAL 51 HG13 VAL 51 -6.228 0.111 1.067 394 1HG2 VAL 51 HG21 VAL 51 -4.525 -3.234 2.651 395 2HG2 VAL 51 HG22 VAL 51 -3.746 -1.664 2.479 396 3HG2 VAL 51 HG23 VAL 51 -4.375 -2.495 1.059 397 H GLN 52 HN GLN 52 -7.347 0.440 4.584 398 HA GLN 52 HA GLN 52 -10.175 -0.556 4.535 399 1HB GLN 52 HB2 GLN 52 -8.793 1.724 5.953 400 2HB GLN 52 HB1 GLN 52 -10.501 1.322 6.122 401 1HG GLN 52 HG2 GLN 52 -8.816 -1.024 6.500 402 2HG GLN 52 HG1 GLN 52 -8.404 0.257 7.641 403 1HE2 GLN 52 HE21 GLN 52 -11.085 -1.813 6.522 404 2HE2 GLN 52 HE22 GLN 52 -12.058 -1.576 7.893 405 H ASP 53 HN ASP 53 -11.837 0.861 3.790 406 HA ASP 53 HA ASP 53 -11.311 2.369 1.419 407 1HB ASP 53 HB2 ASP 53 -13.465 1.573 1.592 408 2HB ASP 53 HB1 ASP 53 -13.557 1.902 3.321 409 H GLY 54 HN GLY 54 -10.214 4.143 1.416 410 1HA GLY 54 HA2 GLY 54 -10.151 6.572 1.855 411 2HA GLY 54 HA1 GLY 54 -10.599 6.204 3.530 412 H ASP 55 HN ASP 55 -8.612 3.838 2.198 413 HA ASP 55 HA ASP 55 -6.504 4.234 4.052 414 1HB ASP 55 HB2 ASP 55 -7.040 2.097 3.096 415 2HB ASP 55 HB1 ASP 55 -6.664 2.689 1.474 416 H GLN 56 HN GLN 56 -4.716 5.540 3.957 417 HA GLN 56 HA GLN 56 -4.074 6.969 1.411 418 1HB GLN 56 HB2 GLN 56 -4.214 8.453 3.234 419 2HB GLN 56 HB1 GLN 56 -3.503 7.293 4.357 420 1HG GLN 56 HG2 GLN 56 -1.346 7.720 3.658 421 2HG GLN 56 HG1 GLN 56 -1.855 8.222 2.049 422 1HE2 GLN 56 HE21 GLN 56 -0.789 10.308 2.123 423 2HE2 GLN 56 HE22 GLN 56 -1.287 11.544 3.176 424 H ILE 57 HN ILE 57 -1.817 6.921 0.646 425 HA ILE 57 HA ILE 57 -0.176 4.713 1.808 426 HB ILE 57 HB ILE 57 -1.129 5.090 -1.016 427 1HG1 ILE 57 HG12 ILE 57 -1.195 2.649 0.759 428 2HG1 ILE 57 HG11 ILE 57 -2.527 3.804 0.642 429 1HG2 ILE 57 HG21 ILE 57 0.737 4.131 -1.804 430 2HG2 ILE 57 HG22 ILE 57 0.517 2.768 -0.707 431 3HG2 ILE 57 HG23 ILE 57 1.424 4.184 -0.189 432 1HD1 ILE 57 HD11 ILE 57 -1.589 1.805 -1.328 433 2HD1 ILE 57 HD12 ILE 57 -2.019 3.381 -1.989 434 3HD1 ILE 57 HD13 ILE 57 -3.207 2.457 -1.070 435 H LEU 58 HN LEU 58 2.010 5.048 1.671 436 HA LEU 58 HA LEU 58 2.988 7.471 0.238 437 1HB LEU 58 HB2 LEU 58 3.410 6.317 2.911 438 2HB LEU 58 HB1 LEU 58 4.861 6.939 2.138 439 HG LEU 58 HG LEU 58 2.280 8.467 2.599 440 1HD1 LEU 58 HD11 LEU 58 3.278 8.582 4.670 441 2HD1 LEU 58 HD12 LEU 58 4.174 9.879 3.876 442 3HD1 LEU 58 HD13 LEU 58 4.891 8.275 4.024 443 1HD2 LEU 58 HD21 LEU 58 3.149 9.381 0.623 444 2HD2 LEU 58 HD22 LEU 58 4.817 9.078 1.101 445 3HD2 LEU 58 HD23 LEU 58 3.907 10.385 1.857 446 H LEU 59 HN LEU 59 4.938 7.089 -1.061 447 HA LEU 59 HA LEU 59 5.535 4.174 -1.417 448 1HB LEU 59 HB2 LEU 59 4.602 5.538 -3.323 449 2HB LEU 59 HB1 LEU 59 6.073 6.505 -3.283 450 HG LEU 59 HG LEU 59 6.107 4.657 -4.995 451 1HD1 LEU 59 HD11 LEU 59 8.127 5.572 -3.380 452 2HD1 LEU 59 HD12 LEU 59 8.355 4.502 -4.763 453 3HD1 LEU 59 HD13 LEU 59 8.239 3.828 -3.140 454 1HD2 LEU 59 HD21 LEU 59 6.359 2.355 -4.225 455 2HD2 LEU 59 HD22 LEU 59 4.846 3.012 -3.604 456 3HD2 LEU 59 HD23 LEU 59 6.248 2.874 -2.543 457 H PHE 60 HN PHE 60 7.636 3.430 -1.195 458 HA PHE 60 HA PHE 60 9.792 5.453 -0.702 459 1HB PHE 60 HB2 PHE 60 9.141 2.953 0.901 460 2HB PHE 60 HB1 PHE 60 10.512 4.023 1.195 461 HD1 PHE 60 HD1 PHE 60 9.181 6.671 0.642 462 HD2 PHE 60 HD2 PHE 60 7.872 3.253 2.887 463 HE1 PHE 60 HE1 PHE 60 7.740 8.135 2.030 464 HE2 PHE 60 HE2 PHE 60 6.433 4.716 4.274 465 HZ PHE 60 HZ PHE 60 6.368 7.157 3.847 466 H GLN 61 HN GLN 61 11.902 4.696 -1.333 467 HA GLN 61 HA GLN 61 11.855 2.187 -2.981 468 1HB GLN 61 HB2 GLN 61 13.495 4.733 -3.211 469 2HB GLN 61 HB1 GLN 61 13.684 3.324 -4.253 470 1HG GLN 61 HG2 GLN 61 11.782 3.767 -5.426 471 2HG GLN 61 HG1 GLN 61 10.918 4.347 -4.003 472 1HE2 GLN 61 HE21 GLN 61 11.221 5.651 -6.719 473 2HE2 GLN 61 HE22 GLN 61 11.886 7.180 -6.403 474 H VAL 62 HN VAL 62 13.273 0.605 -2.373 475 HA VAL 62 HA VAL 62 15.838 1.105 -1.150 476 HB VAL 62 HB VAL 62 14.506 1.741 0.769 477 1HG1 VAL 62 HG11 VAL 62 13.030 -0.460 1.540 478 2HG1 VAL 62 HG12 VAL 62 12.826 -0.469 -0.210 479 3HG1 VAL 62 HG13 VAL 62 12.372 0.956 0.723 480 1HG2 VAL 62 HG21 VAL 62 16.223 -0.544 0.735 481 2HG2 VAL 62 HG22 VAL 62 14.922 -0.874 1.876 482 3HG2 VAL 62 HG23 VAL 62 15.923 0.563 2.073 483 H ILE 63 HN ILE 63 17.044 -0.739 -1.444 484 HA ILE 63 HA ILE 63 15.559 -3.286 -1.968 485 HB ILE 63 HB ILE 63 17.905 -1.913 -3.269 486 1HG1 ILE 63 HG12 ILE 63 16.702 -2.479 -5.305 487 2HG1 ILE 63 HG11 ILE 63 15.583 -3.501 -4.405 488 1HG2 ILE 63 HG21 ILE 63 19.038 -3.889 -3.187 489 2HG2 ILE 63 HG22 ILE 63 17.908 -4.383 -4.447 490 3HG2 ILE 63 HG23 ILE 63 17.594 -4.809 -2.765 491 1HD1 ILE 63 HD11 ILE 63 14.957 -0.984 -5.050 492 2HD1 ILE 63 HD12 ILE 63 15.832 -0.645 -3.559 493 3HD1 ILE 63 HD13 ILE 63 14.423 -1.705 -3.532 494 H ALA 64 HN ALA 64 15.770 -4.081 0.147 495 HA ALA 64 HA ALA 64 18.576 -4.415 1.123 496 1HB ALA 64 HB1 ALA 64 16.522 -2.957 2.196 497 2HB ALA 64 HB2 ALA 64 17.876 -3.600 3.124 498 3HB ALA 64 HB3 ALA 64 16.353 -4.488 3.054 499 H GLY 65 HN GLY 65 18.861 -6.402 2.497 500 1HA GLY 65 HA2 GLY 65 17.061 -8.595 1.549 501 2HA GLY 65 HA1 GLY 65 18.767 -8.820 1.934 502 H GLY 66 HN GLY 66 18.238 -6.890 4.287 503 1HA GLY 66 HA2 GLY 66 16.405 -7.890 6.129 504 2HA GLY 66 HA1 GLY 66 17.801 -8.963 6.263 Start of MODEL 11 1 1H MET 1 HT1 MET 1 14.918 1.763 2.568 2 2H MET 1 HT2 MET 1 14.668 0.343 1.669 3 3H MET 1 HT3 MET 1 13.742 0.646 3.062 4 HA MET 1 HA MET 1 13.669 2.299 0.586 5 1HB MET 1 HB2 MET 1 12.240 0.733 -0.208 6 2HB MET 1 HB1 MET 1 12.646 -0.268 1.179 7 1HG MET 1 HG2 MET 1 10.864 0.802 2.489 8 2HG MET 1 HG1 MET 1 10.461 1.828 1.116 9 1HE MET 1 HE1 MET 1 10.372 0.743 -1.212 10 2HE MET 1 HE2 MET 1 8.690 1.038 -0.782 11 3HE MET 1 HE3 MET 1 9.141 -0.489 -1.536 12 H GLN 2 HN GLN 2 11.673 3.620 0.624 13 HA GLN 2 HA GLN 2 10.538 4.199 3.292 14 1HB GLN 2 HB2 GLN 2 12.354 5.719 3.229 15 2HB GLN 2 HB1 GLN 2 12.106 6.051 1.516 16 1HG GLN 2 HG2 GLN 2 10.284 7.446 1.907 17 2HG GLN 2 HG1 GLN 2 9.919 6.691 3.459 18 1HE2 GLN 2 HE21 GLN 2 12.620 8.533 1.928 19 2HE2 GLN 2 HE22 GLN 2 12.993 9.421 3.326 20 H ILE 3 HN ILE 3 8.531 5.223 3.138 21 HA ILE 3 HA ILE 3 7.434 5.475 0.407 22 HB ILE 3 HB ILE 3 6.035 3.689 0.756 23 1HG1 ILE 3 HG12 ILE 3 6.059 4.672 3.544 24 2HG1 ILE 3 HG11 ILE 3 4.702 4.156 2.564 25 1HG2 ILE 3 HG21 ILE 3 8.179 2.958 2.781 26 2HG2 ILE 3 HG22 ILE 3 8.455 2.929 1.037 27 3HG2 ILE 3 HG23 ILE 3 7.268 1.850 1.755 28 1HD1 ILE 3 HD11 ILE 3 5.170 2.649 4.519 29 2HD1 ILE 3 HD12 ILE 3 6.730 2.260 3.797 30 3HD1 ILE 3 HD13 ILE 3 5.239 1.817 2.967 31 H LEU 4 HN LEU 4 5.047 6.059 0.613 32 HA LEU 4 HA LEU 4 4.538 7.902 2.926 33 1HB LEU 4 HB2 LEU 4 5.138 9.044 0.739 34 2HB LEU 4 HB1 LEU 4 3.747 8.241 0.006 35 HG LEU 4 HG LEU 4 3.379 10.657 0.928 36 1HD1 LEU 4 HD11 LEU 4 1.433 8.850 2.210 37 2HD1 LEU 4 HD12 LEU 4 1.739 8.526 0.504 38 3HD1 LEU 4 HD13 LEU 4 1.170 10.117 1.011 39 1HD2 LEU 4 HD21 LEU 4 3.000 9.179 3.509 40 2HD2 LEU 4 HD22 LEU 4 3.132 10.917 3.234 41 3HD2 LEU 4 HD23 LEU 4 4.561 9.902 3.131 42 H PHE 5 HN PHE 5 3.037 6.765 4.014 43 HA PHE 5 HA PHE 5 0.940 5.363 2.414 44 1HB PHE 5 HB2 PHE 5 2.352 4.093 4.039 45 2HB PHE 5 HB1 PHE 5 1.766 5.124 5.335 46 HD1 PHE 5 HD1 PHE 5 -0.845 5.239 5.652 47 HD2 PHE 5 HD2 PHE 5 1.197 2.162 3.458 48 HE1 PHE 5 HE1 PHE 5 -2.815 3.748 5.910 49 HE2 PHE 5 HE2 PHE 5 -0.766 0.671 3.715 50 HZ PHE 5 HZ PHE 5 -2.768 1.462 4.945 51 H ASN 6 HN ASN 6 -0.645 6.995 2.083 52 HA ASN 6 HA ASN 6 -2.316 8.514 2.672 53 1HB ASN 6 HB2 ASN 6 -2.851 6.582 4.187 54 2HB ASN 6 HB1 ASN 6 -1.843 7.325 5.424 55 1HD2 ASN 6 HD21 ASN 6 -4.023 9.140 3.259 56 2HD2 ASN 6 HD22 ASN 6 -5.073 9.658 4.487 57 H ASP 7 HN ASP 7 -0.145 9.671 2.251 58 HA ASP 7 HA ASP 7 1.193 11.546 2.586 59 1HB ASP 7 HB2 ASP 7 -0.547 12.564 4.736 60 2HB ASP 7 HB1 ASP 7 -0.003 13.343 3.255 61 H GLN 8 HN GLN 8 1.368 9.108 4.501 62 HA GLN 8 HA GLN 8 2.822 10.524 6.704 63 1HB GLN 8 HB2 GLN 8 1.193 9.223 7.706 64 2HB GLN 8 HB1 GLN 8 1.167 8.075 6.382 65 1HG GLN 8 HG2 GLN 8 3.124 7.015 7.090 66 2HG GLN 8 HG1 GLN 8 3.526 8.330 8.192 67 1HE2 GLN 8 HE21 GLN 8 3.362 7.375 10.272 68 2HE2 GLN 8 HE22 GLN 8 1.994 6.537 10.824 69 H ALA 9 HN ALA 9 5.054 10.336 6.463 70 HA ALA 9 HA ALA 9 6.151 8.663 4.374 71 1HB ALA 9 HB1 ALA 9 8.136 9.529 6.230 72 2HB ALA 9 HB2 ALA 9 6.918 10.799 6.118 73 3HB ALA 9 HB3 ALA 9 7.739 10.231 4.663 74 H MET 10 HN MET 10 7.429 6.799 4.599 75 HA MET 10 HA MET 10 7.498 5.450 7.285 76 1HB MET 10 HB2 MET 10 5.636 4.914 5.357 77 2HB MET 10 HB1 MET 10 6.929 3.800 4.933 78 1HG MET 10 HG2 MET 10 5.655 2.554 6.406 79 2HG MET 10 HG1 MET 10 6.937 3.186 7.435 80 1HE MET 10 HE1 MET 10 2.533 4.013 7.274 81 2HE MET 10 HE2 MET 10 3.595 3.199 6.132 82 3HE MET 10 HE3 MET 10 3.439 4.952 6.076 83 H GLN 11 HN GLN 11 8.679 3.313 7.037 84 HA GLN 11 HA GLN 11 10.643 3.208 4.868 85 1HB GLN 11 HB2 GLN 11 12.088 2.675 7.244 86 2HB GLN 11 HB1 GLN 11 12.341 3.976 6.095 87 1HG GLN 11 HG2 GLN 11 10.672 5.366 7.298 88 2HG GLN 11 HG1 GLN 11 10.427 4.055 8.451 89 1HE2 GLN 11 HE21 GLN 11 11.898 3.860 10.167 90 2HE2 GLN 11 HE22 GLN 11 13.253 4.863 10.373 91 H CYS 12 HN CYS 12 10.551 1.268 4.209 92 HA CYS 12 HA CYS 12 10.353 -1.049 6.068 93 1HB CYS 12 HB2 CYS 12 8.467 -1.871 4.499 94 2HB CYS 12 HB1 CYS 12 8.072 -0.590 5.637 95 HG CYS 12 HG CYS 12 8.969 0.691 3.096 96 H ALA 13 HN ALA 13 9.806 -2.862 3.899 97 HA ALA 13 HA ALA 13 12.518 -3.118 2.907 98 1HB ALA 13 HB1 ALA 13 11.057 -5.232 1.940 99 2HB ALA 13 HB2 ALA 13 10.140 -4.757 3.368 100 3HB ALA 13 HB3 ALA 13 11.843 -5.193 3.519 101 H ALA 14 HN ALA 14 13.056 -2.064 1.070 102 HA ALA 14 HA ALA 14 11.250 -1.271 -1.005 103 1HB ALA 14 HB1 ALA 14 13.218 -0.661 -2.130 104 2HB ALA 14 HB2 ALA 14 14.132 -2.001 -1.437 105 3HB ALA 14 HB3 ALA 14 13.708 -0.611 -0.438 106 H GLY 15 HN GLY 15 10.708 -2.324 -2.933 107 1HA GLY 15 HA2 GLY 15 10.526 -4.063 -4.501 108 2HA GLY 15 HA1 GLY 15 11.858 -4.867 -3.678 109 H GLN 16 HN GLN 16 9.426 -3.805 -1.591 110 HA GLN 16 HA GLN 16 8.452 -6.599 -1.236 111 1HB GLN 16 HB2 GLN 16 8.116 -5.955 0.998 112 2HB GLN 16 HB1 GLN 16 9.565 -5.078 0.548 113 1HG GLN 16 HG2 GLN 16 8.208 -3.073 0.075 114 2HG GLN 16 HG1 GLN 16 6.746 -3.955 0.527 115 1HE2 GLN 16 HE21 GLN 16 7.551 -5.314 2.831 116 2HE2 GLN 16 HE22 GLN 16 7.993 -4.197 4.032 117 H THR 17 HN THR 17 6.373 -7.007 -2.020 118 HA THR 17 HA THR 17 4.812 -5.162 -3.409 119 HB THR 17 HB THR 17 3.142 -6.768 -3.414 120 HG1 THR 17 HG1 THR 17 2.376 -7.267 -1.533 121 1HG2 THR 17 HG21 THR 17 4.213 -8.695 -3.905 122 2HG2 THR 17 HG22 THR 17 5.006 -8.759 -2.330 123 3HG2 THR 17 HG23 THR 17 5.670 -7.747 -3.616 124 H VAL 18 HN VAL 18 2.338 -5.195 -2.505 125 HA VAL 18 HA VAL 18 2.120 -3.091 -0.482 126 HB VAL 18 HB VAL 18 0.224 -4.937 -1.862 127 1HG1 VAL 18 HG11 VAL 18 -0.160 -2.664 -0.064 128 2HG1 VAL 18 HG12 VAL 18 -1.212 -4.038 -0.396 129 3HG1 VAL 18 HG13 VAL 18 -1.173 -2.672 -1.509 130 1HG2 VAL 18 HG21 VAL 18 0.774 -2.142 -2.699 131 2HG2 VAL 18 HG22 VAL 18 0.195 -3.496 -3.664 132 3HG2 VAL 18 HG23 VAL 18 1.882 -3.429 -3.170 133 H HIS 19 HN HIS 19 0.855 -6.408 -0.928 134 HA HIS 19 HA HIS 19 -0.107 -6.884 1.690 135 1HB HIS 19 HB2 HIS 19 -0.253 -8.345 -0.390 136 2HB HIS 19 HB1 HIS 19 1.460 -8.704 -0.199 137 HD1 HIS 19 HD1 HIS 19 -1.753 -10.026 0.690 138 HD2 HIS 19 HD2 HIS 19 1.945 -9.815 2.601 139 HE1 HIS 19 HE1 HIS 19 -1.804 -11.755 2.539 140 H GLU 20 HN GLU 20 3.020 -6.602 0.229 141 HA GLU 20 HA GLU 20 4.475 -7.604 2.624 142 1HB GLU 20 HB2 GLU 20 5.155 -6.577 -0.109 143 2HB GLU 20 HB1 GLU 20 6.416 -6.686 1.115 144 1HG GLU 20 HG2 GLU 20 4.887 -9.099 1.201 145 2HG GLU 20 HG1 GLU 20 5.329 -8.795 -0.479 146 H LEU 21 HN LEU 21 3.606 -4.555 1.063 147 HA LEU 21 HA LEU 21 5.197 -2.878 2.834 148 1HB LEU 21 HB2 LEU 21 4.191 -2.476 0.472 149 2HB LEU 21 HB1 LEU 21 2.672 -2.184 1.304 150 HG LEU 21 HG LEU 21 3.937 -0.095 0.811 151 1HD1 LEU 21 HD11 LEU 21 3.344 0.912 2.807 152 2HD1 LEU 21 HD12 LEU 21 3.964 -0.417 3.786 153 3HD1 LEU 21 HD13 LEU 21 2.438 -0.598 2.916 154 1HD2 LEU 21 HD21 LEU 21 5.985 0.394 2.026 155 2HD2 LEU 21 HD22 LEU 21 6.209 -1.090 1.105 156 3HD2 LEU 21 HD23 LEU 21 5.915 -1.167 2.844 157 H LEU 22 HN LEU 22 1.646 -3.316 2.540 158 HA LEU 22 HA LEU 22 0.724 -2.161 4.891 159 1HB LEU 22 HB2 LEU 22 -0.046 -4.854 3.704 160 2HB LEU 22 HB1 LEU 22 -1.071 -3.863 4.726 161 HG LEU 22 HG LEU 22 -0.201 -3.387 1.892 162 1HD1 LEU 22 HD11 LEU 22 -2.806 -3.462 3.429 163 2HD1 LEU 22 HD12 LEU 22 -2.310 -4.461 2.066 164 3HD1 LEU 22 HD13 LEU 22 -2.706 -2.763 1.813 165 1HD2 LEU 22 HD21 LEU 22 -0.998 -1.323 3.954 166 2HD2 LEU 22 HD22 LEU 22 -1.322 -1.074 2.242 167 3HD2 LEU 22 HD23 LEU 22 0.336 -1.271 2.807 168 H GLU 23 HN GLU 23 1.673 -5.545 4.472 169 HA GLU 23 HA GLU 23 1.508 -6.392 7.168 170 1HB GLU 23 HB2 GLU 23 1.782 -7.744 5.075 171 2HB GLU 23 HB1 GLU 23 3.479 -7.263 5.041 172 1HG GLU 23 HG2 GLU 23 4.003 -8.862 6.537 173 2HG GLU 23 HG1 GLU 23 2.791 -8.251 7.666 174 H GLN 24 HN GLN 24 4.391 -5.128 5.412 175 HA GLN 24 HA GLN 24 6.182 -5.324 7.624 176 1HB GLN 24 HB2 GLN 24 6.658 -4.884 5.161 177 2HB GLN 24 HB1 GLN 24 6.185 -3.210 5.455 178 1HG GLN 24 HG2 GLN 24 8.419 -2.973 5.927 179 2HG GLN 24 HG1 GLN 24 7.916 -3.556 7.508 180 1HE2 GLN 24 HE21 GLN 24 8.221 -5.932 7.933 181 2HE2 GLN 24 HE22 GLN 24 9.407 -6.785 7.069 182 H LEU 25 HN LEU 25 3.829 -2.818 6.694 183 HA LEU 25 HA LEU 25 4.641 -0.929 8.748 184 1HB LEU 25 HB2 LEU 25 2.045 -1.346 7.217 185 2HB LEU 25 HB1 LEU 25 2.515 0.129 8.061 186 HG LEU 25 HG LEU 25 3.835 -1.102 5.646 187 1HD1 LEU 25 HD11 LEU 25 3.449 1.340 4.851 188 2HD1 LEU 25 HD12 LEU 25 2.300 1.421 6.188 189 3HD1 LEU 25 HD13 LEU 25 2.071 0.241 4.898 190 1HD2 LEU 25 HD21 LEU 25 5.426 0.836 5.836 191 2HD2 LEU 25 HD22 LEU 25 5.615 -0.393 7.084 192 3HD2 LEU 25 HD23 LEU 25 4.784 1.117 7.454 193 H ASP 26 HN ASP 26 2.806 -3.841 8.579 194 HA ASP 26 HA ASP 26 2.055 -5.208 10.371 195 1HB ASP 26 HB2 ASP 26 3.522 -3.507 11.703 196 2HB ASP 26 HB1 ASP 26 1.974 -2.765 12.087 197 H GLN 27 HN GLN 27 0.515 -3.683 8.435 198 HA GLN 27 HA GLN 27 -2.064 -3.466 9.942 199 1HB GLN 27 HB2 GLN 27 -2.431 -1.669 7.988 200 2HB GLN 27 HB1 GLN 27 -1.607 -1.223 9.465 201 1HG GLN 27 HG2 GLN 27 0.561 -1.921 8.192 202 2HG GLN 27 HG1 GLN 27 -0.435 -1.790 6.747 203 1HE2 GLN 27 HE21 GLN 27 -0.986 0.318 6.024 204 2HE2 GLN 27 HE22 GLN 27 -0.447 1.732 6.789 205 H ARG 28 HN ARG 28 -3.912 -4.326 8.695 206 HA ARG 28 HA ARG 28 -2.997 -5.974 6.395 207 1HB ARG 28 HB2 ARG 28 -5.179 -6.250 8.450 208 2HB ARG 28 HB1 ARG 28 -5.146 -7.263 7.005 209 1HG ARG 28 HG2 ARG 28 -2.523 -7.157 8.205 210 2HG ARG 28 HG1 ARG 28 -3.719 -7.678 9.396 211 1HD ARG 28 HD2 ARG 28 -4.350 -9.553 8.133 212 2HD ARG 28 HD1 ARG 28 -3.710 -8.868 6.627 213 HE ARG 28 HE ARG 28 -1.775 -9.391 8.818 214 1HH1 ARG 28 HH11 ARG 28 -1.482 -8.924 5.700 215 2HH1 ARG 28 HH12 ARG 28 -0.896 -10.489 5.243 216 1HH2 ARG 28 HH21 ARG 28 -1.725 -11.977 8.263 217 2HH2 ARG 28 HH22 ARG 28 -1.033 -12.216 6.692 218 H GLN 29 HN GLN 29 -5.591 -3.743 7.294 219 HA GLN 29 HA GLN 29 -6.955 -2.471 5.900 220 1HB GLN 29 HB2 GLN 29 -4.806 -3.440 4.019 221 2HB GLN 29 HB1 GLN 29 -6.015 -2.246 3.572 222 1HG GLN 29 HG2 GLN 29 -4.137 -1.016 4.372 223 2HG GLN 29 HG1 GLN 29 -5.339 -0.977 5.656 224 1HE2 GLN 29 HE21 GLN 29 -2.244 -2.290 4.692 225 2HE2 GLN 29 HE22 GLN 29 -1.811 -2.882 6.211 226 H ALA 30 HN ALA 30 -7.803 -5.030 6.551 227 HA ALA 30 HA ALA 30 -8.529 -6.738 4.418 228 1HB ALA 30 HB1 ALA 30 -9.480 -7.805 6.161 229 2HB ALA 30 HB2 ALA 30 -10.539 -6.435 6.496 230 3HB ALA 30 HB3 ALA 30 -8.906 -6.475 7.164 231 H GLY 31 HN GLY 31 -9.437 -5.725 2.585 232 1HA GLY 31 HA2 GLY 31 -11.521 -5.153 1.501 233 2HA GLY 31 HA1 GLY 31 -12.108 -4.520 3.040 234 H ALA 32 HN ALA 32 -8.985 -3.471 2.727 235 HA ALA 32 HA ALA 32 -9.878 -0.746 2.038 236 1HB ALA 32 HB1 ALA 32 -7.011 -1.212 2.390 237 2HB ALA 32 HB2 ALA 32 -7.955 -1.923 3.695 238 3HB ALA 32 HB3 ALA 32 -8.095 -0.201 3.341 239 H ALA 33 HN ALA 33 -8.377 0.520 0.592 240 HA ALA 33 HA ALA 33 -7.212 -1.079 -1.639 241 1HB ALA 33 HB1 ALA 33 -9.453 0.936 -1.696 242 2HB ALA 33 HB2 ALA 33 -9.317 -0.595 -2.559 243 3HB ALA 33 HB3 ALA 33 -8.379 0.799 -3.090 244 H LEU 34 HN LEU 34 -5.683 0.395 -2.924 245 HA LEU 34 HA LEU 34 -4.967 2.859 -1.431 246 1HB LEU 34 HB2 LEU 34 -3.351 1.722 -0.339 247 2HB LEU 34 HB1 LEU 34 -3.690 0.272 -1.274 248 HG LEU 34 HG LEU 34 -1.996 2.541 -2.355 249 1HD1 LEU 34 HD11 LEU 34 -0.101 1.683 -1.405 250 2HD1 LEU 34 HD12 LEU 34 -0.697 0.023 -1.465 251 3HD1 LEU 34 HD13 LEU 34 -1.229 1.109 -0.181 252 1HD2 LEU 34 HD21 LEU 34 -1.265 0.044 -3.421 253 2HD2 LEU 34 HD22 LEU 34 -2.186 1.311 -4.233 254 3HD2 LEU 34 HD23 LEU 34 -3.029 0.028 -3.367 255 H ALA 35 HN ALA 35 -3.529 4.300 -2.669 256 HA ALA 35 HA ALA 35 -3.321 3.550 -5.579 257 1HB ALA 35 HB1 ALA 35 -4.995 5.432 -4.497 258 2HB ALA 35 HB2 ALA 35 -4.370 5.496 -6.145 259 3HB ALA 35 HB3 ALA 35 -3.578 6.410 -4.864 260 H ILE 36 HN ILE 36 -1.163 3.323 -5.976 261 HA ILE 36 HA ILE 36 0.730 4.970 -4.359 262 HB ILE 36 HB ILE 36 1.155 2.510 -6.089 263 1HG1 ILE 36 HG12 ILE 36 1.050 2.799 -3.078 264 2HG1 ILE 36 HG11 ILE 36 -0.317 2.267 -4.051 265 1HG2 ILE 36 HG21 ILE 36 3.384 2.688 -5.640 266 2HG2 ILE 36 HG22 ILE 36 3.082 3.106 -3.953 267 3HG2 ILE 36 HG23 ILE 36 3.046 4.359 -5.193 268 1HD1 ILE 36 HD11 ILE 36 1.438 0.537 -2.978 269 2HD1 ILE 36 HD12 ILE 36 2.267 0.867 -4.500 270 3HD1 ILE 36 HD13 ILE 36 0.625 0.229 -4.512 271 H ASN 37 HN ASN 37 1.905 6.555 -5.294 272 HA ASN 37 HA ASN 37 2.645 8.055 -6.937 273 1HB ASN 37 HB2 ASN 37 2.962 5.306 -8.132 274 2HB ASN 37 HB1 ASN 37 3.517 6.749 -8.990 275 1HD2 ASN 37 HD21 ASN 37 4.817 4.400 -7.202 276 2HD2 ASN 37 HD22 ASN 37 5.974 5.268 -6.307 277 H GLN 38 HN GLN 38 -0.247 7.400 -6.826 278 HA GLN 38 HA GLN 38 -2.107 8.310 -7.965 279 1HB GLN 38 HB2 GLN 38 -1.674 9.736 -9.698 280 2HB GLN 38 HB1 GLN 38 -0.002 9.479 -9.212 281 1HG GLN 38 HG2 GLN 38 0.251 8.948 -11.422 282 2HG GLN 38 HG1 GLN 38 -0.313 7.368 -10.878 283 1HE2 GLN 38 HE21 GLN 38 -0.843 8.093 -13.547 284 2HE2 GLN 38 HE22 GLN 38 -2.497 8.413 -13.730 285 H GLN 39 HN GLN 39 -0.866 5.408 -8.176 286 HA GLN 39 HA GLN 39 -2.613 4.545 -10.456 287 1HB GLN 39 HB2 GLN 39 -1.117 2.704 -10.733 288 2HB GLN 39 HB1 GLN 39 -0.080 4.097 -10.443 289 1HG GLN 39 HG2 GLN 39 -0.454 3.262 -7.892 290 2HG GLN 39 HG1 GLN 39 -0.579 1.722 -8.741 291 1HE2 GLN 39 HE21 GLN 39 1.475 0.824 -8.293 292 2HE2 GLN 39 HE22 GLN 39 2.943 1.565 -8.718 293 H ILE 40 HN ILE 40 -4.605 4.189 -9.420 294 HA ILE 40 HA ILE 40 -4.754 3.056 -6.747 295 HB ILE 40 HB ILE 40 -6.662 3.701 -9.000 296 1HG1 ILE 40 HG12 ILE 40 -7.656 5.017 -6.964 297 2HG1 ILE 40 HG11 ILE 40 -6.082 4.711 -6.224 298 1HG2 ILE 40 HG21 ILE 40 -7.098 1.795 -6.778 299 2HG2 ILE 40 HG22 ILE 40 -7.983 1.977 -8.293 300 3HG2 ILE 40 HG23 ILE 40 -8.340 3.037 -6.933 301 1HD1 ILE 40 HD11 ILE 40 -6.054 6.866 -7.396 302 2HD1 ILE 40 HD12 ILE 40 -6.567 6.077 -8.887 303 3HD1 ILE 40 HD13 ILE 40 -4.978 5.725 -8.204 304 H VAL 41 HN VAL 41 -3.954 0.987 -6.560 305 HA VAL 41 HA VAL 41 -4.561 -1.010 -8.676 306 HB VAL 41 HB VAL 41 -2.923 -1.147 -6.146 307 1HG1 VAL 41 HG11 VAL 41 -3.766 -3.320 -7.086 308 2HG1 VAL 41 HG12 VAL 41 -2.009 -3.183 -7.098 309 3HG1 VAL 41 HG13 VAL 41 -2.922 -2.950 -8.589 310 1HG2 VAL 41 HG21 VAL 41 -1.085 -1.103 -8.057 311 2HG2 VAL 41 HG22 VAL 41 -1.781 0.408 -7.464 312 3HG2 VAL 41 HG23 VAL 41 -2.360 -0.300 -8.972 313 HA PRO 42 HA PRO 42 -7.598 -2.739 -6.117 314 1HB PRO 42 HB2 PRO 42 -7.844 -5.123 -7.379 315 2HB PRO 42 HB1 PRO 42 -8.523 -3.602 -7.964 316 1HG PRO 42 HG2 PRO 42 -6.174 -5.108 -8.915 317 2HG PRO 42 HG1 PRO 42 -7.268 -4.045 -9.813 318 1HD PRO 42 HD2 PRO 42 -4.720 -3.380 -8.879 319 2HD PRO 42 HD1 PRO 42 -5.956 -2.239 -9.451 320 H ARG 43 HN ARG 43 -7.228 -3.546 -4.269 321 HA ARG 43 HA ARG 43 -5.180 -4.536 -2.879 322 1HB ARG 43 HB2 ARG 43 -6.895 -6.211 -1.852 323 2HB ARG 43 HB1 ARG 43 -7.246 -4.488 -1.786 324 1HG ARG 43 HG2 ARG 43 -8.610 -4.748 -3.873 325 2HG ARG 43 HG1 ARG 43 -8.347 -6.491 -3.765 326 1HD ARG 43 HD2 ARG 43 -9.806 -6.736 -2.021 327 2HD ARG 43 HD1 ARG 43 -9.318 -5.201 -1.274 328 HE ARG 43 HE ARG 43 -10.584 -4.201 -3.381 329 1HH1 ARG 43 HH11 ARG 43 -12.226 -4.573 -0.921 330 2HH1 ARG 43 HH12 ARG 43 -13.546 -5.537 -1.495 331 1HH2 ARG 43 HH21 ARG 43 -11.918 -6.495 -4.407 332 2HH2 ARG 43 HH22 ARG 43 -13.370 -6.628 -3.474 333 H GLU 44 HN GLU 44 -7.033 -6.613 -5.036 334 HA GLU 44 HA GLU 44 -5.971 -9.111 -4.517 335 1HB GLU 44 HB2 GLU 44 -7.755 -8.915 -5.954 336 2HB GLU 44 HB1 GLU 44 -7.009 -7.602 -6.865 337 1HG GLU 44 HG2 GLU 44 -5.909 -9.035 -8.273 338 2HG GLU 44 HG1 GLU 44 -5.527 -10.165 -6.972 339 H GLN 45 HN GLN 45 -4.229 -6.434 -5.923 340 HA GLN 45 HA GLN 45 -2.131 -8.288 -6.956 341 1HB GLN 45 HB2 GLN 45 -2.379 -5.273 -7.222 342 2HB GLN 45 HB1 GLN 45 -1.355 -6.341 -8.182 343 1HG GLN 45 HG2 GLN 45 -4.277 -6.945 -8.140 344 2HG GLN 45 HG1 GLN 45 -3.760 -5.526 -9.048 345 1HE2 GLN 45 HE21 GLN 45 -4.273 -6.639 -11.092 346 2HE2 GLN 45 HE22 GLN 45 -3.257 -7.852 -11.697 347 H TRP 46 HN TRP 46 -2.846 -6.239 -4.299 348 HA TRP 46 HA TRP 46 -0.500 -5.166 -3.394 349 1HB TRP 46 HB2 TRP 46 -2.674 -6.771 -2.050 350 2HB TRP 46 HB1 TRP 46 -1.423 -5.948 -1.119 351 HD1 TRP 46 HD1 TRP 46 -2.260 -4.037 -4.179 352 HE1 TRP 46 HE1 TRP 46 -3.783 -2.041 -3.582 353 HE3 TRP 46 HE3 TRP 46 -3.566 -5.322 0.576 354 HZ2 TRP 46 HZ2 TRP 46 -5.340 -1.097 -1.352 355 HZ3 TRP 46 HZ3 TRP 46 -5.067 -3.877 1.913 356 HH2 TRP 46 HH2 TRP 46 -5.963 -1.768 0.950 357 H ALA 47 HN ALA 47 -1.351 -8.567 -3.504 358 HA ALA 47 HA ALA 47 0.943 -9.463 -1.945 359 1HB ALA 47 HB1 ALA 47 -0.943 -10.881 -3.834 360 2HB ALA 47 HB2 ALA 47 -1.289 -10.549 -2.135 361 3HB ALA 47 HB3 ALA 47 0.033 -11.635 -2.574 362 H GLN 48 HN GLN 48 0.436 -8.505 -5.212 363 HA GLN 48 HA GLN 48 3.045 -9.767 -5.982 364 1HB GLN 48 HB2 GLN 48 0.651 -9.277 -7.782 365 2HB GLN 48 HB1 GLN 48 2.083 -10.239 -8.151 366 1HG GLN 48 HG2 GLN 48 0.987 -11.274 -5.741 367 2HG GLN 48 HG1 GLN 48 -0.350 -11.075 -6.872 368 1HE2 GLN 48 HE21 GLN 48 -0.247 -13.587 -6.779 369 2HE2 GLN 48 HE22 GLN 48 0.799 -14.353 -7.875 370 H HIS 49 HN HIS 49 1.652 -6.978 -5.165 371 HA HIS 49 HA HIS 49 2.549 -5.282 -7.423 372 1HB HIS 49 HB2 HIS 49 0.373 -5.020 -6.230 373 2HB HIS 49 HB1 HIS 49 1.259 -4.665 -4.750 374 HD1 HIS 49 HD1 HIS 49 -0.575 -2.500 -5.914 375 HD2 HIS 49 HD2 HIS 49 3.468 -2.804 -6.881 376 HE1 HIS 49 HE1 HIS 49 0.139 -0.214 -6.733 377 H ILE 50 HN ILE 50 4.889 -6.026 -6.883 378 HA ILE 50 HA ILE 50 6.272 -5.472 -4.532 379 HB ILE 50 HB ILE 50 7.086 -5.242 -7.441 380 1HG1 ILE 50 HG12 ILE 50 6.117 -7.414 -6.467 381 2HG1 ILE 50 HG11 ILE 50 7.697 -7.537 -7.240 382 1HG2 ILE 50 HG21 ILE 50 9.400 -5.707 -6.495 383 2HG2 ILE 50 HG22 ILE 50 8.743 -5.335 -4.902 384 3HG2 ILE 50 HG23 ILE 50 8.770 -4.095 -6.158 385 1HD1 ILE 50 HD11 ILE 50 7.466 -8.688 -4.961 386 2HD1 ILE 50 HD12 ILE 50 7.386 -7.069 -4.266 387 3HD1 ILE 50 HD13 ILE 50 8.829 -7.586 -5.138 388 H VAL 51 HN VAL 51 6.776 -3.702 -3.499 389 HA VAL 51 HA VAL 51 6.154 -1.003 -4.610 390 HB VAL 51 HB VAL 51 6.912 -1.923 -1.813 391 1HG1 VAL 51 HG11 VAL 51 6.797 0.332 -1.583 392 2HG1 VAL 51 HG12 VAL 51 5.058 0.043 -1.572 393 3HG1 VAL 51 HG13 VAL 51 5.861 0.538 -3.061 394 1HG2 VAL 51 HG21 VAL 51 4.563 -2.317 -1.375 395 2HG2 VAL 51 HG22 VAL 51 4.998 -3.264 -2.796 396 3HG2 VAL 51 HG23 VAL 51 4.113 -1.750 -2.983 397 H GLN 52 HN GLN 52 7.768 0.643 -4.666 398 HA GLN 52 HA GLN 52 10.594 -0.327 -4.436 399 1HB GLN 52 HB2 GLN 52 9.301 1.997 -5.868 400 2HB GLN 52 HB1 GLN 52 11.021 1.625 -5.910 401 1HG GLN 52 HG2 GLN 52 9.459 -0.738 -6.564 402 2HG GLN 52 HG1 GLN 52 9.037 0.603 -7.631 403 1HE2 GLN 52 HE21 GLN 52 11.569 -1.680 -6.803 404 2HE2 GLN 52 HE22 GLN 52 12.670 -1.179 -7.993 405 H ASP 53 HN ASP 53 12.163 0.947 -3.405 406 HA ASP 53 HA ASP 53 11.531 2.393 -1.059 407 1HB ASP 53 HB2 ASP 53 13.722 1.658 -1.275 408 2HB ASP 53 HB1 ASP 53 13.829 2.166 -2.956 409 H GLY 54 HN GLY 54 10.357 4.145 -1.027 410 1HA GLY 54 HA2 GLY 54 10.261 6.611 -1.403 411 2HA GLY 54 HA1 GLY 54 10.675 6.273 -3.095 412 H ASP 55 HN ASP 55 8.825 3.814 -1.850 413 HA ASP 55 HA ASP 55 6.681 3.997 -3.602 414 1HB ASP 55 HB2 ASP 55 7.033 1.990 -2.465 415 2HB ASP 55 HB1 ASP 55 7.130 2.783 -0.895 416 H GLN 56 HN GLN 56 4.949 5.312 -3.744 417 HA GLN 56 HA GLN 56 4.142 6.946 -1.357 418 1HB GLN 56 HB2 GLN 56 4.708 8.327 -3.230 419 2HB GLN 56 HB1 GLN 56 3.911 7.238 -4.368 420 1HG GLN 56 HG2 GLN 56 1.946 8.261 -4.078 421 2HG GLN 56 HG1 GLN 56 2.059 8.106 -2.327 422 1HE2 GLN 56 HE21 GLN 56 4.376 9.659 -1.817 423 2HE2 GLN 56 HE22 GLN 56 4.068 11.276 -2.230 424 H ILE 57 HN ILE 57 1.923 6.755 -0.688 425 HA ILE 57 HA ILE 57 0.311 4.760 -2.236 426 HB ILE 57 HB ILE 57 0.974 4.867 0.697 427 1HG1 ILE 57 HG12 ILE 57 1.455 2.680 -1.333 428 2HG1 ILE 57 HG11 ILE 57 2.677 3.858 -0.850 429 1HG2 ILE 57 HG21 ILE 57 -0.385 2.647 0.623 430 2HG2 ILE 57 HG22 ILE 57 -1.095 3.333 -0.841 431 3HG2 ILE 57 HG23 ILE 57 -1.260 4.177 0.699 432 1HD1 ILE 57 HD11 ILE 57 1.923 1.445 0.476 433 2HD1 ILE 57 HD12 ILE 57 1.478 2.798 1.513 434 3HD1 ILE 57 HD13 ILE 57 3.145 2.618 0.962 435 H LEU 58 HN LEU 58 -1.917 5.036 -2.118 436 HA LEU 58 HA LEU 58 -2.921 7.415 -0.619 437 1HB LEU 58 HB2 LEU 58 -2.994 7.103 -3.273 438 2HB LEU 58 HB1 LEU 58 -4.417 6.139 -2.876 439 HG LEU 58 HG LEU 58 -5.109 8.439 -3.296 440 1HD1 LEU 58 HD11 LEU 58 -5.279 8.540 -0.359 441 2HD1 LEU 58 HD12 LEU 58 -5.762 6.988 -1.043 442 3HD1 LEU 58 HD13 LEU 58 -6.570 8.468 -1.557 443 1HD2 LEU 58 HD21 LEU 58 -3.529 10.014 -2.881 444 2HD2 LEU 58 HD22 LEU 58 -2.710 8.995 -1.697 445 3HD2 LEU 58 HD23 LEU 58 -4.103 9.962 -1.214 446 H LEU 59 HN LEU 59 -4.550 6.885 0.945 447 HA LEU 59 HA LEU 59 -5.010 3.956 1.201 448 1HB LEU 59 HB2 LEU 59 -3.993 5.460 2.988 449 2HB LEU 59 HB1 LEU 59 -5.582 6.196 3.163 450 HG LEU 59 HG LEU 59 -4.924 4.247 4.754 451 1HD1 LEU 59 HD11 LEU 59 -7.194 3.734 5.037 452 2HD1 LEU 59 HD12 LEU 59 -7.534 3.848 3.310 453 3HD1 LEU 59 HD13 LEU 59 -7.237 5.309 4.251 454 1HD2 LEU 59 HD21 LEU 59 -5.957 2.570 2.472 455 2HD2 LEU 59 HD22 LEU 59 -5.157 2.042 3.952 456 3HD2 LEU 59 HD23 LEU 59 -4.227 2.843 2.685 457 H PHE 60 HN PHE 60 -6.942 3.051 0.849 458 HA PHE 60 HA PHE 60 -9.365 4.795 0.567 459 1HB PHE 60 HB2 PHE 60 -8.516 2.162 -0.677 460 2HB PHE 60 HB1 PHE 60 -10.112 2.876 -0.911 461 HD1 PHE 60 HD1 PHE 60 -7.413 2.409 -2.780 462 HD2 PHE 60 HD2 PHE 60 -9.491 5.743 -1.045 463 HE1 PHE 60 HE1 PHE 60 -6.514 3.895 -4.549 464 HE2 PHE 60 HE2 PHE 60 -8.598 7.227 -2.816 465 HZ PHE 60 HZ PHE 60 -7.107 6.304 -4.569 466 H GLN 61 HN GLN 61 -11.202 4.211 1.798 467 HA GLN 61 HA GLN 61 -10.743 2.246 3.967 468 1HB GLN 61 HB2 GLN 61 -13.022 4.168 3.396 469 2HB GLN 61 HB1 GLN 61 -12.716 3.343 4.929 470 1HG GLN 61 HG2 GLN 61 -10.350 4.459 4.748 471 2HG GLN 61 HG1 GLN 61 -11.153 5.557 3.627 472 1HE2 GLN 61 HE21 GLN 61 -10.530 4.999 6.934 473 2HE2 GLN 61 HE22 GLN 61 -11.679 6.066 7.577 474 H VAL 62 HN VAL 62 -12.329 0.614 4.485 475 HA VAL 62 HA VAL 62 -13.083 -1.245 2.637 476 HB VAL 62 HB VAL 62 -13.381 -1.219 5.161 477 1HG1 VAL 62 HG11 VAL 62 -14.652 0.906 5.243 478 2HG1 VAL 62 HG12 VAL 62 -15.552 -0.408 6.000 479 3HG1 VAL 62 HG13 VAL 62 -15.979 0.134 4.377 480 1HG2 VAL 62 HG21 VAL 62 -15.559 -2.595 5.031 481 2HG2 VAL 62 HG22 VAL 62 -14.212 -3.144 4.034 482 3HG2 VAL 62 HG23 VAL 62 -15.537 -2.241 3.302 483 H ILE 63 HN ILE 63 -14.783 -1.574 1.171 484 HA ILE 63 HA ILE 63 -16.644 0.744 0.778 485 HB ILE 63 HB ILE 63 -15.544 -1.153 -1.318 486 1HG1 ILE 63 HG12 ILE 63 -14.169 1.075 -1.811 487 2HG1 ILE 63 HG11 ILE 63 -14.396 1.320 -0.081 488 1HG2 ILE 63 HG21 ILE 63 -16.909 1.551 -1.424 489 2HG2 ILE 63 HG22 ILE 63 -17.550 0.018 -2.013 490 3HG2 ILE 63 HG23 ILE 63 -16.172 0.763 -2.822 491 1HD1 ILE 63 HD11 ILE 63 -13.656 -1.403 -0.418 492 2HD1 ILE 63 HD12 ILE 63 -12.698 -0.112 0.313 493 3HD1 ILE 63 HD13 ILE 63 -12.550 -0.452 -1.411 494 H ALA 64 HN ALA 64 -18.374 -0.230 1.949 495 HA ALA 64 HA ALA 64 -19.384 -2.799 0.777 496 1HB ALA 64 HB1 ALA 64 -19.937 -1.931 3.596 497 2HB ALA 64 HB2 ALA 64 -18.347 -2.582 3.197 498 3HB ALA 64 HB3 ALA 64 -19.790 -3.563 2.939 499 H GLY 65 HN GLY 65 -21.180 -2.292 -0.413 500 1HA GLY 65 HA2 GLY 65 -23.245 -1.345 -0.993 501 2HA GLY 65 HA1 GLY 65 -23.540 -1.227 0.745 502 H GLY 66 HN GLY 66 -23.247 0.764 1.768 503 1HA GLY 66 HA2 GLY 66 -23.013 3.091 -0.018 504 2HA GLY 66 HA1 GLY 66 -23.399 3.142 1.703 Start of MODEL 12 1 1H MET 1 HT1 MET 1 15.342 1.624 2.247 2 2H MET 1 HT2 MET 1 14.579 2.306 3.605 3 3H MET 1 HT3 MET 1 15.312 3.308 2.445 4 HA MET 1 HA MET 1 13.668 2.658 0.780 5 1HB MET 1 HB2 MET 1 13.594 0.405 2.260 6 2HB MET 1 HB1 MET 1 12.144 1.205 2.859 7 1HG MET 1 HG2 MET 1 12.618 1.056 -0.084 8 2HG MET 1 HG1 MET 1 12.017 -0.348 0.762 9 1HE MET 1 HE1 MET 1 9.029 0.860 -1.105 10 2HE MET 1 HE2 MET 1 9.198 -0.509 -0.014 11 3HE MET 1 HE3 MET 1 10.522 -0.087 -1.097 12 H GLN 2 HN GLN 2 11.789 3.906 0.624 13 HA GLN 2 HA GLN 2 10.518 4.949 3.077 14 1HB GLN 2 HB2 GLN 2 12.543 6.370 2.375 15 2HB GLN 2 HB1 GLN 2 11.583 6.804 0.961 16 1HG GLN 2 HG2 GLN 2 9.754 7.559 2.473 17 2HG GLN 2 HG1 GLN 2 10.808 7.242 3.849 18 1HE2 GLN 2 HE21 GLN 2 10.810 9.564 4.416 19 2HE2 GLN 2 HE22 GLN 2 11.712 10.674 3.504 20 H ILE 3 HN ILE 3 8.480 5.759 2.675 21 HA ILE 3 HA ILE 3 7.564 5.485 -0.102 22 HB ILE 3 HB ILE 3 6.250 3.697 0.435 23 1HG1 ILE 3 HG12 ILE 3 5.991 5.073 3.046 24 2HG1 ILE 3 HG11 ILE 3 4.741 4.389 2.023 25 1HG2 ILE 3 HG21 ILE 3 7.465 2.162 1.955 26 2HG2 ILE 3 HG22 ILE 3 8.310 3.535 2.670 27 3HG2 ILE 3 HG23 ILE 3 8.622 3.086 0.996 28 1HD1 ILE 3 HD11 ILE 3 6.685 2.821 3.746 29 2HD1 ILE 3 HD12 ILE 3 5.473 2.105 2.686 30 3HD1 ILE 3 HD13 ILE 3 4.970 3.060 4.082 31 H LEU 4 HN LEU 4 5.111 5.967 -0.121 32 HA LEU 4 HA LEU 4 4.478 8.086 1.874 33 1HB LEU 4 HB2 LEU 4 5.128 9.012 -0.354 34 2HB LEU 4 HB1 LEU 4 3.824 8.070 -1.089 35 HG LEU 4 HG LEU 4 3.265 10.540 -0.435 36 1HD1 LEU 4 HD11 LEU 4 1.788 8.240 -0.671 37 2HD1 LEU 4 HD12 LEU 4 1.106 9.852 -0.462 38 3HD1 LEU 4 HD13 LEU 4 1.335 8.804 0.939 39 1HD2 LEU 4 HD21 LEU 4 2.979 11.051 1.807 40 2HD2 LEU 4 HD22 LEU 4 4.369 9.978 1.913 41 3HD2 LEU 4 HD23 LEU 4 2.760 9.362 2.258 42 H PHE 5 HN PHE 5 2.904 7.119 3.053 43 HA PHE 5 HA PHE 5 0.876 5.445 1.625 44 1HB PHE 5 HB2 PHE 5 2.219 4.423 3.419 45 2HB PHE 5 HB1 PHE 5 1.770 5.708 4.526 46 HD1 PHE 5 HD1 PHE 5 -0.751 4.439 2.184 47 HD2 PHE 5 HD2 PHE 5 0.919 4.030 6.122 48 HE1 PHE 5 HE1 PHE 5 -2.728 3.111 2.893 49 HE2 PHE 5 HE2 PHE 5 -1.053 2.711 6.829 50 HZ PHE 5 HZ PHE 5 -2.874 2.248 5.218 51 H ASN 6 HN ASN 6 -0.724 6.972 1.023 52 HA ASN 6 HA ASN 6 -2.419 8.547 1.273 53 1HB ASN 6 HB2 ASN 6 -2.860 6.871 3.197 54 2HB ASN 6 HB1 ASN 6 -2.156 8.101 4.248 55 1HD2 ASN 6 HD21 ASN 6 -4.570 7.952 5.103 56 2HD2 ASN 6 HD22 ASN 6 -5.672 9.019 4.378 57 H ASP 7 HN ASP 7 -0.247 9.691 0.747 58 HA ASP 7 HA ASP 7 1.020 11.656 0.878 59 1HB ASP 7 HB2 ASP 7 -0.969 12.796 2.774 60 2HB ASP 7 HB1 ASP 7 -0.238 13.514 1.343 61 H GLN 8 HN GLN 8 1.125 9.493 3.073 62 HA GLN 8 HA GLN 8 2.469 11.177 5.182 63 1HB GLN 8 HB2 GLN 8 1.395 8.343 5.378 64 2HB GLN 8 HB1 GLN 8 1.961 9.357 6.705 65 1HG GLN 8 HG2 GLN 8 0.082 10.990 5.612 66 2HG GLN 8 HG1 GLN 8 -0.622 9.407 5.272 67 1HE2 GLN 8 HE21 GLN 8 0.409 8.010 7.570 68 2HE2 GLN 8 HE22 GLN 8 -0.365 8.630 8.946 69 H ALA 9 HN ALA 9 4.679 11.028 5.003 70 HA ALA 9 HA ALA 9 5.939 9.081 3.289 71 1HB ALA 9 HB1 ALA 9 6.536 11.493 4.598 72 2HB ALA 9 HB2 ALA 9 7.586 10.605 3.493 73 3HB ALA 9 HB3 ALA 9 7.689 10.321 5.232 74 H MET 10 HN MET 10 7.292 7.346 3.866 75 HA MET 10 HA MET 10 7.277 6.366 6.708 76 1HB MET 10 HB2 MET 10 5.449 5.554 4.843 77 2HB MET 10 HB1 MET 10 6.770 4.432 4.565 78 1HG MET 10 HG2 MET 10 5.603 3.282 6.164 79 2HG MET 10 HG1 MET 10 6.734 4.180 7.171 80 1HE MET 10 HE1 MET 10 2.418 5.246 6.195 81 2HE MET 10 HE2 MET 10 2.814 3.568 6.553 82 3HE MET 10 HE3 MET 10 3.621 4.391 5.221 83 H GLN 11 HN GLN 11 8.455 4.140 6.655 84 HA GLN 11 HA GLN 11 10.507 3.865 4.557 85 1HB GLN 11 HB2 GLN 11 11.445 3.537 7.335 86 2HB GLN 11 HB1 GLN 11 12.326 4.106 5.931 87 1HG GLN 11 HG2 GLN 11 12.168 6.113 7.018 88 2HG GLN 11 HG1 GLN 11 10.616 6.160 6.195 89 1HE2 GLN 11 HE21 GLN 11 10.676 7.632 8.495 90 2HE2 GLN 11 HE22 GLN 11 9.891 6.833 9.771 91 H CYS 12 HN CYS 12 10.344 1.819 4.026 92 HA CYS 12 HA CYS 12 9.756 -0.264 6.096 93 1HB CYS 12 HB2 CYS 12 7.930 -1.092 4.807 94 2HB CYS 12 HB1 CYS 12 7.732 0.656 4.855 95 HG CYS 12 HG CYS 12 8.751 -0.924 2.368 96 H ALA 13 HN ALA 13 9.466 -2.413 4.431 97 HA ALA 13 HA ALA 13 12.211 -3.045 3.761 98 1HB ALA 13 HB1 ALA 13 10.845 -5.222 3.060 99 2HB ALA 13 HB2 ALA 13 9.559 -4.409 3.951 100 3HB ALA 13 HB3 ALA 13 11.076 -4.808 4.759 101 H ALA 14 HN ALA 14 12.887 -2.073 1.793 102 HA ALA 14 HA ALA 14 11.235 -1.753 -0.511 103 1HB ALA 14 HB1 ALA 14 14.124 -2.425 -0.791 104 2HB ALA 14 HB2 ALA 14 13.699 -0.996 0.153 105 3HB ALA 14 HB3 ALA 14 13.198 -1.119 -1.533 106 H GLY 15 HN GLY 15 10.611 -3.167 -2.013 107 1HA GLY 15 HA2 GLY 15 10.834 -5.124 -3.395 108 2HA GLY 15 HA1 GLY 15 11.925 -5.786 -2.186 109 H GLN 16 HN GLN 16 9.554 -4.556 -0.317 110 HA GLN 16 HA GLN 16 8.241 -7.187 -0.120 111 1HB GLN 16 HB2 GLN 16 8.282 -6.625 2.070 112 2HB GLN 16 HB1 GLN 16 9.207 -5.211 1.604 113 1HG GLN 16 HG2 GLN 16 6.244 -5.033 1.356 114 2HG GLN 16 HG1 GLN 16 6.925 -5.036 2.969 115 1HE2 GLN 16 HE21 GLN 16 8.011 -3.529 -0.120 116 2HE2 GLN 16 HE22 GLN 16 8.185 -1.977 0.542 117 H THR 17 HN THR 17 6.205 -7.473 -1.121 118 HA THR 17 HA THR 17 4.934 -5.594 -2.746 119 HB THR 17 HB THR 17 3.118 -7.033 -2.781 120 HG1 THR 17 HG1 THR 17 2.481 -8.223 -0.964 121 1HG2 THR 17 HG21 THR 17 3.929 -9.210 -2.875 122 2HG2 THR 17 HG22 THR 17 4.997 -8.967 -1.494 123 3HG2 THR 17 HG23 THR 17 5.396 -8.246 -3.052 124 H VAL 18 HN VAL 18 2.396 -5.417 -2.062 125 HA VAL 18 HA VAL 18 2.172 -3.141 -0.241 126 HB VAL 18 HB VAL 18 0.223 -4.939 -1.596 127 1HG1 VAL 18 HG11 VAL 18 -1.128 -2.787 -1.614 128 2HG1 VAL 18 HG12 VAL 18 0.037 -2.204 -0.426 129 3HG1 VAL 18 HG13 VAL 18 -0.950 -3.622 -0.070 130 1HG2 VAL 18 HG21 VAL 18 0.366 -3.433 -3.492 131 2HG2 VAL 18 HG22 VAL 18 1.976 -4.022 -3.096 132 3HG2 VAL 18 HG23 VAL 18 1.490 -2.405 -2.602 133 H HIS 19 HN HIS 19 0.675 -6.376 -0.507 134 HA HIS 19 HA HIS 19 -0.549 -6.516 2.052 135 1HB HIS 19 HB2 HIS 19 -0.602 -8.131 0.040 136 2HB HIS 19 HB1 HIS 19 1.000 -8.665 0.539 137 HD1 HIS 19 HD1 HIS 19 -2.621 -8.782 1.593 138 HD2 HIS 19 HD2 HIS 19 1.051 -10.263 2.900 139 HE1 HIS 19 HE1 HIS 19 -3.136 -10.501 3.384 140 H GLU 20 HN GLU 20 2.671 -6.659 0.824 141 HA GLU 20 HA GLU 20 3.920 -7.557 3.361 142 1HB GLU 20 HB2 GLU 20 4.804 -6.619 0.644 143 2HB GLU 20 HB1 GLU 20 5.976 -6.817 1.942 144 1HG GLU 20 HG2 GLU 20 4.437 -9.150 2.023 145 2HG GLU 20 HG1 GLU 20 4.700 -8.844 0.306 146 H LEU 21 HN LEU 21 3.393 -4.578 1.517 147 HA LEU 21 HA LEU 21 4.961 -2.820 3.169 148 1HB LEU 21 HB2 LEU 21 3.843 -2.591 0.801 149 2HB LEU 21 HB1 LEU 21 2.423 -2.090 1.707 150 HG LEU 21 HG LEU 21 3.913 -0.199 0.927 151 1HD1 LEU 21 HD11 LEU 21 3.097 0.987 2.665 152 2HD1 LEU 21 HD12 LEU 21 4.032 0.062 3.838 153 3HD1 LEU 21 HD13 LEU 21 2.479 -0.551 3.268 154 1HD2 LEU 21 HD21 LEU 21 6.044 -1.482 1.450 155 2HD2 LEU 21 HD22 LEU 21 5.724 -1.160 3.155 156 3HD2 LEU 21 HD23 LEU 21 6.002 0.177 2.040 157 H LEU 22 HN LEU 22 1.414 -3.129 2.954 158 HA LEU 22 HA LEU 22 0.669 -1.648 5.202 159 1HB LEU 22 HB2 LEU 22 -0.353 -4.075 3.748 160 2HB LEU 22 HB1 LEU 22 -1.229 -3.468 5.154 161 HG LEU 22 HG LEU 22 -0.669 -1.171 3.692 162 1HD1 LEU 22 HD11 LEU 22 -0.936 -3.538 1.918 163 2HD1 LEU 22 HD12 LEU 22 -0.205 -1.965 1.595 164 3HD1 LEU 22 HD13 LEU 22 -1.955 -2.159 1.507 165 1HD2 LEU 22 HD21 LEU 22 -2.772 -2.408 4.885 166 2HD2 LEU 22 HD22 LEU 22 -3.239 -2.540 3.190 167 3HD2 LEU 22 HD23 LEU 22 -2.923 -0.955 3.899 168 H GLU 23 HN GLU 23 1.085 -5.186 5.100 169 HA GLU 23 HA GLU 23 0.872 -5.664 7.886 170 1HB GLU 23 HB2 GLU 23 0.957 -7.284 5.962 171 2HB GLU 23 HB1 GLU 23 2.701 -7.024 5.899 172 1HG GLU 23 HG2 GLU 23 2.770 -8.782 7.348 173 2HG GLU 23 HG1 GLU 23 2.362 -7.559 8.552 174 H GLN 24 HN GLN 24 3.719 -4.745 5.925 175 HA GLN 24 HA GLN 24 5.674 -4.965 8.000 176 1HB GLN 24 HB2 GLN 24 6.135 -4.718 5.580 177 2HB GLN 24 HB1 GLN 24 5.466 -3.087 5.617 178 1HG GLN 24 HG2 GLN 24 8.031 -3.322 5.761 179 2HG GLN 24 HG1 GLN 24 7.253 -2.264 6.937 180 1HE2 GLN 24 HE21 GLN 24 8.782 -2.573 8.637 181 2HE2 GLN 24 HE22 GLN 24 9.023 -4.070 9.401 182 H LEU 25 HN LEU 25 3.627 -2.234 6.954 183 HA LEU 25 HA LEU 25 4.624 -0.332 8.865 184 1HB LEU 25 HB2 LEU 25 1.964 -0.637 7.434 185 2HB LEU 25 HB1 LEU 25 2.564 0.853 8.156 186 HG LEU 25 HG LEU 25 3.767 -0.652 5.829 187 1HD1 LEU 25 HD11 LEU 25 2.190 1.855 6.164 188 2HD1 LEU 25 HD12 LEU 25 2.118 0.646 4.881 189 3HD1 LEU 25 HD13 LEU 25 3.435 1.818 4.913 190 1HD2 LEU 25 HD21 LEU 25 5.284 1.484 5.853 191 2HD2 LEU 25 HD22 LEU 25 5.679 0.128 6.911 192 3HD2 LEU 25 HD23 LEU 25 4.852 1.545 7.560 193 H ASP 26 HN ASP 26 2.300 -2.908 8.908 194 HA ASP 26 HA ASP 26 1.521 -4.056 10.890 195 1HB ASP 26 HB2 ASP 26 2.999 -2.397 12.189 196 2HB ASP 26 HB1 ASP 26 1.583 -1.350 12.215 197 H GLN 27 HN GLN 27 0.256 -2.850 8.634 198 HA GLN 27 HA GLN 27 -2.402 -2.093 9.810 199 1HB GLN 27 HB2 GLN 27 -1.315 -1.086 7.175 200 2HB GLN 27 HB1 GLN 27 -2.552 -0.358 8.195 201 1HG GLN 27 HG2 GLN 27 0.278 -0.643 9.208 202 2HG GLN 27 HG1 GLN 27 -0.165 0.701 8.166 203 1HE2 GLN 27 HE21 GLN 27 0.253 0.073 11.321 204 2HE2 GLN 27 HE22 GLN 27 -0.921 1.089 12.004 205 H ARG 28 HN ARG 28 -4.189 -3.176 8.759 206 HA ARG 28 HA ARG 28 -3.374 -5.141 6.666 207 1HB ARG 28 HB2 ARG 28 -5.445 -5.066 8.856 208 2HB ARG 28 HB1 ARG 28 -5.615 -6.188 7.506 209 1HG ARG 28 HG2 ARG 28 -4.405 -7.481 9.014 210 2HG ARG 28 HG1 ARG 28 -3.119 -6.784 8.031 211 1HD ARG 28 HD2 ARG 28 -2.223 -5.823 9.874 212 2HD ARG 28 HD1 ARG 28 -3.742 -4.954 10.171 213 HE ARG 28 HE ARG 28 -3.841 -7.787 10.906 214 1HH1 ARG 28 HH21 ARG 28 -1.852 -5.465 12.159 215 2HH1 ARG 28 HH22 ARG 28 -2.598 -5.385 13.721 216 1HH2 ARG 28 HH11 ARG 28 -5.349 -7.278 12.806 217 2HH2 ARG 28 HH12 ARG 28 -4.578 -6.397 14.082 218 H GLN 29 HN GLN 29 -6.685 -5.007 6.743 219 HA GLN 29 HA GLN 29 -6.868 -2.784 4.760 220 1HB GLN 29 HB2 GLN 29 -8.120 -5.511 4.387 221 2HB GLN 29 HB1 GLN 29 -7.922 -4.238 3.182 222 1HG GLN 29 HG2 GLN 29 -6.071 -5.394 2.576 223 2HG GLN 29 HG1 GLN 29 -5.335 -4.649 3.992 224 1HE2 GLN 29 HE21 GLN 29 -4.090 -6.353 4.875 225 2HE2 GLN 29 HE22 GLN 29 -4.725 -7.874 5.282 226 H ALA 30 HN ALA 30 -9.073 -5.338 5.969 227 HA ALA 30 HA ALA 30 -11.169 -5.138 7.080 228 1HB ALA 30 HB1 ALA 30 -11.260 -3.439 8.655 229 2HB ALA 30 HB2 ALA 30 -10.597 -2.242 7.541 230 3HB ALA 30 HB3 ALA 30 -9.531 -3.422 8.305 231 H GLY 31 HN GLY 31 -10.301 -3.741 4.274 232 1HA GLY 31 HA2 GLY 31 -12.237 -3.409 2.693 233 2HA GLY 31 HA1 GLY 31 -12.917 -2.368 3.948 234 H ALA 32 HN ALA 32 -9.913 -2.706 2.001 235 HA ALA 32 HA ALA 32 -9.916 0.274 1.706 236 1HB ALA 32 HB1 ALA 32 -8.373 0.121 3.427 237 2HB ALA 32 HB2 ALA 32 -7.300 -0.144 2.052 238 3HB ALA 32 HB3 ALA 32 -7.892 -1.518 2.986 239 H ALA 33 HN ALA 33 -8.306 0.978 0.132 240 HA ALA 33 HA ALA 33 -7.310 -0.962 -1.854 241 1HB ALA 33 HB1 ALA 33 -8.497 0.424 -3.652 242 2HB ALA 33 HB2 ALA 33 -9.448 1.130 -2.345 243 3HB ALA 33 HB3 ALA 33 -9.542 -0.602 -2.670 244 H LEU 34 HN LEU 34 -5.728 0.265 -3.329 245 HA LEU 34 HA LEU 34 -5.135 2.965 -2.302 246 1HB LEU 34 HB2 LEU 34 -3.477 2.246 -0.975 247 2HB LEU 34 HB1 LEU 34 -3.986 0.604 -1.337 248 HG LEU 34 HG LEU 34 -1.982 2.194 -2.980 249 1HD1 LEU 34 HD11 LEU 34 -1.605 0.877 -0.505 250 2HD1 LEU 34 HD12 LEU 34 -0.356 1.458 -1.606 251 3HD1 LEU 34 HD13 LEU 34 -0.940 -0.198 -1.737 252 1HD2 LEU 34 HD21 LEU 34 -1.886 -0.664 -3.320 253 2HD2 LEU 34 HD22 LEU 34 -2.209 0.578 -4.529 254 3HD2 LEU 34 HD23 LEU 34 -3.537 -0.101 -3.589 255 H ALA 35 HN ALA 35 -3.517 4.171 -3.584 256 HA ALA 35 HA ALA 35 -3.166 3.009 -6.330 257 1HB ALA 35 HB1 ALA 35 -3.952 4.980 -7.211 258 2HB ALA 35 HB2 ALA 35 -3.190 5.949 -5.952 259 3HB ALA 35 HB3 ALA 35 -4.720 5.142 -5.633 260 H ILE 36 HN ILE 36 -1.030 2.536 -6.571 261 HA ILE 36 HA ILE 36 0.939 4.207 -5.075 262 HB ILE 36 HB ILE 36 1.330 1.626 -6.617 263 1HG1 ILE 36 HG12 ILE 36 0.667 2.116 -3.690 264 2HG1 ILE 36 HG11 ILE 36 -0.362 1.307 -4.871 265 1HG2 ILE 36 HG21 ILE 36 3.457 1.614 -5.745 266 2HG2 ILE 36 HG22 ILE 36 2.956 2.409 -4.252 267 3HG2 ILE 36 HG23 ILE 36 3.207 3.361 -5.713 268 1HD1 ILE 36 HD11 ILE 36 0.782 -0.645 -4.704 269 2HD1 ILE 36 HD12 ILE 36 1.403 0.027 -3.195 270 3HD1 ILE 36 HD13 ILE 36 2.345 0.169 -4.680 271 H ASN 37 HN ASN 37 2.349 5.567 -6.177 272 HA ASN 37 HA ASN 37 3.282 6.725 -8.005 273 1HB ASN 37 HB2 ASN 37 2.750 4.089 -9.413 274 2HB ASN 37 HB1 ASN 37 3.945 5.303 -9.869 275 1HD2 ASN 37 HD21 ASN 37 5.640 5.785 -8.097 276 2HD2 ASN 37 HD22 ASN 37 6.170 4.479 -7.153 277 H GLN 38 HN GLN 38 0.266 6.412 -7.546 278 HA GLN 38 HA GLN 38 -1.565 7.587 -8.470 279 1HB GLN 38 HB2 GLN 38 -1.175 9.006 -10.218 280 2HB GLN 38 HB1 GLN 38 0.499 8.602 -9.874 281 1HG GLN 38 HG2 GLN 38 0.746 7.707 -11.922 282 2HG GLN 38 HG1 GLN 38 -0.618 6.627 -11.677 283 1HE2 GLN 38 HE21 GLN 38 -2.366 7.007 -13.066 284 2HE2 GLN 38 HE22 GLN 38 -2.695 8.493 -13.819 285 H GLN 39 HN GLN 39 -0.483 4.586 -9.178 286 HA GLN 39 HA GLN 39 -2.726 4.079 -11.084 287 1HB GLN 39 HB2 GLN 39 -1.593 1.845 -11.348 288 2HB GLN 39 HB1 GLN 39 -0.585 3.209 -11.820 289 1HG GLN 39 HG2 GLN 39 0.891 2.861 -10.132 290 2HG GLN 39 HG1 GLN 39 -0.370 2.401 -8.987 291 1HE2 GLN 39 HE21 GLN 39 -1.557 0.195 -9.952 292 2HE2 GLN 39 HE22 GLN 39 -0.444 -1.035 -10.311 293 H ILE 40 HN ILE 40 -4.581 3.612 -10.009 294 HA ILE 40 HA ILE 40 -4.623 2.642 -7.279 295 HB ILE 40 HB ILE 40 -6.641 2.993 -9.501 296 1HG1 ILE 40 HG12 ILE 40 -7.527 4.540 -7.551 297 2HG1 ILE 40 HG11 ILE 40 -5.868 4.399 -6.968 298 1HG2 ILE 40 HG21 ILE 40 -6.867 1.269 -7.179 299 2HG2 ILE 40 HG22 ILE 40 -8.021 1.522 -8.487 300 3HG2 ILE 40 HG23 ILE 40 -8.033 2.589 -7.083 301 1HD1 ILE 40 HD11 ILE 40 -4.974 5.342 -8.955 302 2HD1 ILE 40 HD12 ILE 40 -6.360 6.357 -8.553 303 3HD1 ILE 40 HD13 ILE 40 -6.493 5.143 -9.826 304 H VAL 41 HN VAL 41 -3.991 0.621 -6.791 305 HA VAL 41 HA VAL 41 -4.442 -1.603 -8.724 306 HB VAL 41 HB VAL 41 -2.961 -1.500 -6.092 307 1HG1 VAL 41 HG11 VAL 41 -3.545 -3.745 -6.827 308 2HG1 VAL 41 HG12 VAL 41 -1.815 -3.494 -7.063 309 3HG1 VAL 41 HG13 VAL 41 -2.913 -3.413 -8.439 310 1HG2 VAL 41 HG21 VAL 41 -0.999 -0.933 -7.283 311 2HG2 VAL 41 HG22 VAL 41 -2.225 0.087 -8.040 312 3HG2 VAL 41 HG23 VAL 41 -1.706 -1.402 -8.829 313 HA PRO 42 HA PRO 42 -7.549 -3.049 -6.056 314 1HB PRO 42 HB2 PRO 42 -7.720 -5.591 -6.994 315 2HB PRO 42 HB1 PRO 42 -8.411 -4.175 -7.785 316 1HG PRO 42 HG2 PRO 42 -6.067 -5.778 -8.513 317 2HG PRO 42 HG1 PRO 42 -7.100 -4.770 -9.534 318 1HD PRO 42 HD2 PRO 42 -4.561 -4.119 -8.521 319 2HD PRO 42 HD1 PRO 42 -5.681 -3.030 -9.362 320 H ARG 43 HN ARG 43 -7.346 -3.691 -4.095 321 HA ARG 43 HA ARG 43 -5.340 -4.376 -2.479 322 1HB ARG 43 HB2 ARG 43 -6.954 -6.088 -1.386 323 2HB ARG 43 HB1 ARG 43 -7.479 -4.415 -1.521 324 1HG ARG 43 HG2 ARG 43 -8.575 -5.123 -3.740 325 2HG ARG 43 HG1 ARG 43 -8.306 -6.778 -3.192 326 1HD ARG 43 HD2 ARG 43 -10.019 -6.666 -1.710 327 2HD ARG 43 HD1 ARG 43 -9.488 -5.082 -1.110 328 HE ARG 43 HE ARG 43 -11.133 -5.484 -3.574 329 1HH1 ARG 43 HH11 ARG 43 -12.008 -4.227 -0.882 330 2HH1 ARG 43 HH12 ARG 43 -12.001 -2.549 -1.307 331 1HH2 ARG 43 HH21 ARG 43 -10.174 -3.015 -4.211 332 2HH2 ARG 43 HH22 ARG 43 -10.986 -1.865 -3.201 333 H GLU 44 HN GLU 44 -6.969 -6.810 -4.430 334 HA GLU 44 HA GLU 44 -5.734 -9.147 -3.735 335 1HB GLU 44 HB2 GLU 44 -7.432 -9.048 -5.341 336 2HB GLU 44 HB1 GLU 44 -6.557 -7.866 -6.311 337 1HG GLU 44 HG2 GLU 44 -5.851 -9.612 -7.580 338 2HG GLU 44 HG1 GLU 44 -4.825 -10.061 -6.223 339 H GLN 45 HN GLN 45 -4.425 -6.941 -6.238 340 HA GLN 45 HA GLN 45 -2.006 -8.363 -6.658 341 1HB GLN 45 HB2 GLN 45 -2.819 -5.468 -6.951 342 2HB GLN 45 HB1 GLN 45 -1.245 -6.053 -7.486 343 1HG GLN 45 HG2 GLN 45 -2.558 -7.840 -8.800 344 2HG GLN 45 HG1 GLN 45 -3.978 -6.832 -8.507 345 1HE2 GLN 45 HE21 GLN 45 -0.554 -6.337 -9.579 346 2HE2 GLN 45 HE22 GLN 45 -0.950 -5.234 -10.808 347 H TRP 46 HN TRP 46 -2.842 -6.106 -4.056 348 HA TRP 46 HA TRP 46 -0.433 -5.146 -3.173 349 1HB TRP 46 HB2 TRP 46 -2.668 -6.517 -1.648 350 2HB TRP 46 HB1 TRP 46 -1.406 -5.569 -0.873 351 HD1 TRP 46 HD1 TRP 46 -2.412 -4.173 -4.180 352 HE1 TRP 46 HE1 TRP 46 -3.899 -2.089 -3.836 353 HE3 TRP 46 HE3 TRP 46 -3.358 -4.587 0.803 354 HZ2 TRP 46 HZ2 TRP 46 -5.303 -0.774 -1.689 355 HZ3 TRP 46 HZ3 TRP 46 -4.771 -2.910 1.975 356 HH2 TRP 46 HH2 TRP 46 -5.750 -1.005 0.713 357 H ALA 47 HN ALA 47 -1.541 -8.462 -3.077 358 HA ALA 47 HA ALA 47 0.604 -9.444 -1.380 359 1HB ALA 47 HB1 ALA 47 -1.609 -10.518 -3.084 360 2HB ALA 47 HB2 ALA 47 -1.413 -10.606 -1.332 361 3HB ALA 47 HB3 ALA 47 -0.424 -11.618 -2.387 362 H GLN 48 HN GLN 48 0.360 -8.702 -4.753 363 HA GLN 48 HA GLN 48 2.916 -10.198 -5.204 364 1HB GLN 48 HB2 GLN 48 2.029 -10.596 -7.540 365 2HB GLN 48 HB1 GLN 48 1.110 -11.420 -6.282 366 1HG GLN 48 HG2 GLN 48 -0.676 -9.886 -6.412 367 2HG GLN 48 HG1 GLN 48 0.305 -8.676 -7.239 368 1HE2 GLN 48 HE21 GLN 48 -0.092 -12.178 -7.937 369 2HE2 GLN 48 HE22 GLN 48 -0.657 -11.958 -9.521 370 H HIS 49 HN HIS 49 1.940 -7.320 -4.630 371 HA HIS 49 HA HIS 49 3.087 -5.960 -7.024 372 1HB HIS 49 HB2 HIS 49 0.727 -5.608 -6.000 373 2HB HIS 49 HB1 HIS 49 1.579 -4.723 -4.734 374 HD1 HIS 49 HD1 HIS 49 0.027 -4.191 -7.917 375 HD2 HIS 49 HD2 HIS 49 3.433 -2.649 -6.070 376 HE1 HIS 49 HE1 HIS 49 0.610 -2.061 -9.155 377 H ILE 50 HN ILE 50 5.299 -6.574 -6.198 378 HA ILE 50 HA ILE 50 6.413 -5.929 -3.727 379 HB ILE 50 HB ILE 50 7.547 -5.804 -6.537 380 1HG1 ILE 50 HG12 ILE 50 6.664 -8.003 -5.734 381 2HG1 ILE 50 HG11 ILE 50 8.404 -8.023 -6.012 382 1HG2 ILE 50 HG21 ILE 50 9.752 -5.873 -5.517 383 2HG2 ILE 50 HG22 ILE 50 9.045 -5.944 -3.904 384 3HG2 ILE 50 HG23 ILE 50 8.881 -4.481 -4.876 385 1HD1 ILE 50 HD11 ILE 50 8.829 -8.488 -3.850 386 2HD1 ILE 50 HD12 ILE 50 7.100 -8.771 -3.656 387 3HD1 ILE 50 HD13 ILE 50 7.777 -7.182 -3.300 388 H VAL 51 HN VAL 51 6.818 -4.075 -2.728 389 HA VAL 51 HA VAL 51 6.239 -1.475 -4.016 390 HB VAL 51 HB VAL 51 7.041 -2.158 -1.179 391 1HG1 VAL 51 HG11 VAL 51 4.993 -0.158 -1.591 392 2HG1 VAL 51 HG12 VAL 51 6.461 0.241 -2.479 393 3HG1 VAL 51 HG13 VAL 51 6.531 -0.023 -0.737 394 1HG2 VAL 51 HG21 VAL 51 5.056 -3.523 -2.225 395 2HG2 VAL 51 HG22 VAL 51 4.187 -1.992 -2.125 396 3HG2 VAL 51 HG23 VAL 51 4.832 -2.736 -0.670 397 H GLN 52 HN GLN 52 7.823 0.234 -4.147 398 HA GLN 52 HA GLN 52 10.662 -0.717 -3.985 399 1HB GLN 52 HB2 GLN 52 9.281 1.473 -5.530 400 2HB GLN 52 HB1 GLN 52 11.002 1.109 -5.630 401 1HG GLN 52 HG2 GLN 52 10.288 -0.204 -7.388 402 2HG GLN 52 HG1 GLN 52 10.034 -1.363 -6.083 403 1HE2 GLN 52 HE21 GLN 52 8.297 -2.220 -7.649 404 2HE2 GLN 52 HE22 GLN 52 6.767 -1.490 -7.602 405 H ASP 53 HN ASP 53 12.281 0.625 -3.222 406 HA ASP 53 HA ASP 53 11.879 2.279 -0.968 407 1HB ASP 53 HB2 ASP 53 14.002 1.349 -1.324 408 2HB ASP 53 HB1 ASP 53 14.045 1.887 -3.002 409 H GLY 54 HN GLY 54 10.678 3.963 -1.013 410 1HA GLY 54 HA2 GLY 54 10.522 6.396 -1.507 411 2HA GLY 54 HA1 GLY 54 11.032 6.015 -3.162 412 H ASP 55 HN ASP 55 9.131 3.588 -1.897 413 HA ASP 55 HA ASP 55 7.132 3.514 -3.755 414 1HB ASP 55 HB2 ASP 55 7.404 1.765 -2.212 415 2HB ASP 55 HB1 ASP 55 7.215 2.839 -0.829 416 H GLN 56 HN GLN 56 5.132 4.465 -4.089 417 HA GLN 56 HA GLN 56 4.267 6.590 -2.149 418 1HB GLN 56 HB2 GLN 56 5.045 7.735 -4.078 419 2HB GLN 56 HB1 GLN 56 4.447 6.486 -5.168 420 1HG GLN 56 HG2 GLN 56 2.721 7.902 -5.496 421 2HG GLN 56 HG1 GLN 56 2.130 7.303 -3.955 422 1HE2 GLN 56 HE21 GLN 56 1.144 9.626 -3.958 423 2HE2 GLN 56 HE22 GLN 56 2.108 10.865 -3.309 424 H ILE 57 HN ILE 57 2.083 6.424 -1.561 425 HA ILE 57 HA ILE 57 0.447 4.371 -3.007 426 HB ILE 57 HB ILE 57 1.004 4.707 -0.059 427 1HG1 ILE 57 HG12 ILE 57 1.309 2.307 -1.878 428 2HG1 ILE 57 HG11 ILE 57 2.635 3.373 -1.393 429 1HG2 ILE 57 HG21 ILE 57 -1.196 3.276 -1.509 430 2HG2 ILE 57 HG22 ILE 57 -1.278 4.233 -0.031 431 3HG2 ILE 57 HG23 ILE 57 -0.576 2.616 0.004 432 1HD1 ILE 57 HD11 ILE 57 2.837 2.252 0.545 433 2HD1 ILE 57 HD12 ILE 57 1.517 1.183 0.067 434 3HD1 ILE 57 HD13 ILE 57 1.173 2.669 0.953 435 H LEU 58 HN LEU 58 -1.747 4.796 -3.058 436 HA LEU 58 HA LEU 58 -2.682 7.342 -1.805 437 1HB LEU 58 HB2 LEU 58 -2.569 6.788 -4.439 438 2HB LEU 58 HB1 LEU 58 -4.129 6.051 -4.067 439 HG LEU 58 HG LEU 58 -3.512 8.824 -3.084 440 1HD1 LEU 58 HD11 LEU 58 -4.229 9.822 -5.113 441 2HD1 LEU 58 HD12 LEU 58 -4.809 8.286 -5.759 442 3HD1 LEU 58 HD13 LEU 58 -3.077 8.585 -5.611 443 1HD2 LEU 58 HD21 LEU 58 -6.180 8.197 -4.097 444 2HD2 LEU 58 HD22 LEU 58 -5.699 8.798 -2.510 445 3HD2 LEU 58 HD23 LEU 58 -5.664 7.067 -2.844 446 H LEU 59 HN LEU 59 -4.132 6.893 -0.097 447 HA LEU 59 HA LEU 59 -5.118 4.099 0.082 448 1HB LEU 59 HB2 LEU 59 -3.952 5.232 1.954 449 2HB LEU 59 HB1 LEU 59 -5.256 6.417 2.024 450 HG LEU 59 HG LEU 59 -6.862 4.755 2.655 451 1HD1 LEU 59 HD11 LEU 59 -4.692 2.798 1.887 452 2HD1 LEU 59 HD12 LEU 59 -6.337 2.904 1.265 453 3HD1 LEU 59 HD13 LEU 59 -6.053 2.327 2.904 454 1HD2 LEU 59 HD21 LEU 59 -6.078 4.845 4.761 455 2HD2 LEU 59 HD22 LEU 59 -4.453 5.165 4.152 456 3HD2 LEU 59 HD23 LEU 59 -4.989 3.503 4.402 457 H PHE 60 HN PHE 60 -7.173 3.511 -0.217 458 HA PHE 60 HA PHE 60 -9.262 5.629 -0.565 459 1HB PHE 60 HB2 PHE 60 -8.953 2.813 -1.681 460 2HB PHE 60 HB1 PHE 60 -10.339 3.861 -1.988 461 HD1 PHE 60 HD1 PHE 60 -9.678 6.315 -2.793 462 HD2 PHE 60 HD2 PHE 60 -7.215 2.828 -3.251 463 HE1 PHE 60 HE1 PHE 60 -8.463 7.423 -4.648 464 HE2 PHE 60 HE2 PHE 60 -6.000 3.932 -5.106 465 HZ PHE 60 HZ PHE 60 -6.619 6.233 -5.805 466 H GLN 61 HN GLN 61 -10.634 5.646 1.182 467 HA GLN 61 HA GLN 61 -10.709 3.303 2.985 468 1HB GLN 61 HB2 GLN 61 -10.393 5.610 3.801 469 2HB GLN 61 HB1 GLN 61 -11.946 6.069 3.102 470 1HG GLN 61 HG2 GLN 61 -13.156 4.690 4.611 471 2HG GLN 61 HG1 GLN 61 -11.699 3.824 5.106 472 1HE2 GLN 61 HE21 GLN 61 -12.381 4.535 7.381 473 2HE2 GLN 61 HE22 GLN 61 -11.944 6.093 7.897 474 H VAL 62 HN VAL 62 -12.291 1.794 2.793 475 HA VAL 62 HA VAL 62 -15.068 2.485 2.296 476 HB VAL 62 HB VAL 62 -13.893 2.716 0.045 477 1HG1 VAL 62 HG11 VAL 62 -13.780 -0.306 0.222 478 2HG1 VAL 62 HG12 VAL 62 -12.378 0.726 0.509 479 3HG1 VAL 62 HG13 VAL 62 -13.155 0.715 -1.074 480 1HG2 VAL 62 HG21 VAL 62 -16.306 1.261 0.756 481 2HG2 VAL 62 HG22 VAL 62 -15.636 0.665 -0.762 482 3HG2 VAL 62 HG23 VAL 62 -16.037 2.373 -0.586 483 H ILE 63 HN ILE 63 -16.213 0.891 3.340 484 HA ILE 63 HA ILE 63 -14.947 -1.823 3.588 485 HB ILE 63 HB ILE 63 -16.683 -0.119 5.401 486 1HG1 ILE 63 HG12 ILE 63 -14.948 -0.404 6.986 487 2HG1 ILE 63 HG11 ILE 63 -14.303 -1.812 6.156 488 1HG2 ILE 63 HG21 ILE 63 -17.810 -2.237 5.402 489 2HG2 ILE 63 HG22 ILE 63 -16.812 -2.209 6.857 490 3HG2 ILE 63 HG23 ILE 63 -16.286 -3.120 5.443 491 1HD1 ILE 63 HD11 ILE 63 -13.398 -0.479 4.395 492 2HD1 ILE 63 HD12 ILE 63 -12.960 0.338 5.893 493 3HD1 ILE 63 HD13 ILE 63 -14.298 0.946 4.918 494 H ALA 64 HN ALA 64 -15.962 -2.675 1.683 495 HA ALA 64 HA ALA 64 -18.957 -2.685 1.779 496 1HB ALA 64 HB1 ALA 64 -18.363 -2.988 -0.849 497 2HB ALA 64 HB2 ALA 64 -16.946 -2.080 -0.320 498 3HB ALA 64 HB3 ALA 64 -18.561 -1.412 -0.080 499 H GLY 65 HN GLY 65 -19.632 -4.724 2.293 500 1HA GLY 65 HA2 GLY 65 -18.932 -6.989 0.666 501 2HA GLY 65 HA1 GLY 65 -18.103 -7.085 2.220 502 H GLY 66 HN GLY 66 -19.816 -6.312 4.068 503 1HA GLY 66 HA2 GLY 66 -21.644 -8.438 4.376 504 2HA GLY 66 HA1 GLY 66 -21.732 -6.923 5.275 Start of MODEL 13 1 1H MET 1 HT1 MET 1 15.014 2.006 2.384 2 2H MET 1 HT2 MET 1 15.623 1.141 1.054 3 3H MET 1 HT3 MET 1 14.388 0.474 2.011 4 HA MET 1 HA MET 1 14.216 2.554 -0.039 5 1HB MET 1 HB2 MET 1 12.727 1.087 -0.919 6 2HB MET 1 HB1 MET 1 13.631 -0.046 0.076 7 1HG MET 1 HG2 MET 1 11.507 -0.535 0.761 8 2HG MET 1 HG1 MET 1 11.892 0.755 1.906 9 1HE MET 1 HE1 MET 1 10.759 0.239 -1.793 10 2HE MET 1 HE2 MET 1 9.137 0.923 -1.736 11 3HE MET 1 HE3 MET 1 9.519 -0.486 -0.760 12 H GLN 2 HN GLN 2 12.055 3.692 -0.106 13 HA GLN 2 HA GLN 2 10.879 4.187 2.579 14 1HB GLN 2 HB2 GLN 2 12.726 5.756 2.266 15 2HB GLN 2 HB1 GLN 2 12.068 6.224 0.701 16 1HG GLN 2 HG2 GLN 2 9.913 6.681 2.261 17 2HG GLN 2 HG1 GLN 2 11.193 6.989 3.426 18 1HE2 GLN 2 HE21 GLN 2 9.771 8.101 0.379 19 2HE2 GLN 2 HE22 GLN 2 10.618 9.571 0.317 20 H ILE 3 HN ILE 3 8.838 5.207 2.475 21 HA ILE 3 HA ILE 3 7.662 5.341 -0.219 22 HB ILE 3 HB ILE 3 6.167 3.664 0.294 23 1HG1 ILE 3 HG12 ILE 3 6.384 4.771 3.013 24 2HG1 ILE 3 HG11 ILE 3 4.974 4.162 2.171 25 1HG2 ILE 3 HG21 ILE 3 8.520 3.023 2.108 26 2HG2 ILE 3 HG22 ILE 3 8.480 2.797 0.364 27 3HG2 ILE 3 HG23 ILE 3 7.422 1.840 1.392 28 1HD1 ILE 3 HD11 ILE 3 7.135 2.427 3.407 29 2HD1 ILE 3 HD12 ILE 3 5.648 1.853 2.653 30 3HD1 ILE 3 HD13 ILE 3 5.579 2.773 4.158 31 H LEU 4 HN LEU 4 5.332 6.108 0.040 32 HA LEU 4 HA LEU 4 5.118 8.007 2.332 33 1HB LEU 4 HB2 LEU 4 5.566 9.158 0.178 34 2HB LEU 4 HB1 LEU 4 4.191 8.325 -0.551 35 HG LEU 4 HG LEU 4 3.744 10.720 0.354 36 1HD1 LEU 4 HD11 LEU 4 1.907 8.850 1.690 37 2HD1 LEU 4 HD12 LEU 4 2.203 8.529 -0.017 38 3HD1 LEU 4 HD13 LEU 4 1.568 10.095 0.482 39 1HD2 LEU 4 HD21 LEU 4 3.416 9.351 2.985 40 2HD2 LEU 4 HD22 LEU 4 3.668 11.065 2.642 41 3HD2 LEU 4 HD23 LEU 4 5.014 9.933 2.552 42 H PHE 5 HN PHE 5 3.643 6.942 3.593 43 HA PHE 5 HA PHE 5 1.381 5.566 2.220 44 1HB PHE 5 HB2 PHE 5 2.716 4.252 3.799 45 2HB PHE 5 HB1 PHE 5 2.477 5.467 5.057 46 HD1 PHE 5 HD1 PHE 5 0.360 5.666 6.217 47 HD2 PHE 5 HD2 PHE 5 0.860 2.867 3.004 48 HE1 PHE 5 HE1 PHE 5 -1.781 4.576 6.838 49 HE2 PHE 5 HE2 PHE 5 -1.279 1.776 3.619 50 HZ PHE 5 HZ PHE 5 -2.593 2.619 5.539 51 H ASN 6 HN ASN 6 -0.113 7.258 1.865 52 HA ASN 6 HA ASN 6 -1.694 8.884 2.427 53 1HB ASN 6 HB2 ASN 6 -2.100 6.949 4.119 54 2HB ASN 6 HB1 ASN 6 -1.306 8.009 5.286 55 1HD2 ASN 6 HD21 ASN 6 -3.016 8.823 6.530 56 2HD2 ASN 6 HD22 ASN 6 -4.398 9.571 5.887 57 H ASP 7 HN ASP 7 0.556 9.965 1.964 58 HA ASP 7 HA ASP 7 1.933 11.836 2.314 59 1HB ASP 7 HB2 ASP 7 -0.196 12.880 2.544 60 2HB ASP 7 HB1 ASP 7 -0.358 12.303 4.200 61 H GLN 8 HN GLN 8 1.978 9.322 4.128 62 HA GLN 8 HA GLN 8 3.508 10.591 6.368 63 1HB GLN 8 HB2 GLN 8 2.422 7.753 6.136 64 2HB GLN 8 HB1 GLN 8 3.000 8.554 7.601 65 1HG GLN 8 HG2 GLN 8 1.125 10.335 6.912 66 2HG GLN 8 HG1 GLN 8 0.423 8.925 6.135 67 1HE2 GLN 8 HE21 GLN 8 -0.733 10.280 8.444 68 2HE2 GLN 8 HE22 GLN 8 -0.744 9.165 9.725 69 H ALA 9 HN ALA 9 5.706 10.527 5.843 70 HA ALA 9 HA ALA 9 6.698 8.832 3.728 71 1HB ALA 9 HB1 ALA 9 8.417 10.283 3.898 72 2HB ALA 9 HB2 ALA 9 8.709 9.832 5.578 73 3HB ALA 9 HB3 ALA 9 7.513 11.070 5.191 74 H MET 10 HN MET 10 7.975 6.944 3.900 75 HA MET 10 HA MET 10 8.176 5.674 6.624 76 1HB MET 10 HB2 MET 10 6.211 5.152 4.810 77 2HB MET 10 HB1 MET 10 7.457 4.015 4.314 78 1HG MET 10 HG2 MET 10 6.321 2.744 5.855 79 2HG MET 10 HG1 MET 10 7.566 3.464 6.870 80 1HE MET 10 HE1 MET 10 3.867 2.864 6.380 81 2HE MET 10 HE2 MET 10 4.171 4.187 5.257 82 3HE MET 10 HE3 MET 10 3.112 4.441 6.645 83 H GLN 11 HN GLN 11 9.269 3.494 6.352 84 HA GLN 11 HA GLN 11 11.131 3.279 4.102 85 1HB GLN 11 HB2 GLN 11 12.507 2.693 6.568 86 2HB GLN 11 HB1 GLN 11 13.011 3.726 5.241 87 1HG GLN 11 HG2 GLN 11 11.630 5.570 6.161 88 2HG GLN 11 HG1 GLN 11 11.168 4.536 7.515 89 1HE2 GLN 11 HE21 GLN 11 12.735 4.165 9.190 90 2HE2 GLN 11 HE22 GLN 11 14.232 4.963 9.233 91 H CYS 12 HN CYS 12 10.898 1.322 3.478 92 HA CYS 12 HA CYS 12 10.512 -0.908 5.438 93 1HB CYS 12 HB2 CYS 12 8.594 -1.651 4.151 94 2HB CYS 12 HB1 CYS 12 8.350 0.041 4.584 95 HG CYS 12 HG CYS 12 9.170 -0.942 1.739 96 H ALA 13 HN ALA 13 10.015 -2.850 3.532 97 HA ALA 13 HA ALA 13 12.685 -3.310 2.497 98 1HB ALA 13 HB1 ALA 13 11.891 -5.515 2.225 99 2HB ALA 13 HB2 ALA 13 10.222 -4.978 2.047 100 3HB ALA 13 HB3 ALA 13 11.002 -4.920 3.626 101 H ALA 14 HN ALA 14 13.175 -2.260 0.565 102 HA ALA 14 HA ALA 14 11.249 -1.524 -1.433 103 1HB ALA 14 HB1 ALA 14 14.174 -1.687 -1.093 104 2HB ALA 14 HB2 ALA 14 13.199 -0.438 -1.869 105 3HB ALA 14 HB3 ALA 14 13.632 -1.895 -2.757 106 H GLY 15 HN GLY 15 10.548 -2.689 -3.228 107 1HA GLY 15 HA2 GLY 15 10.408 -4.489 -4.759 108 2HA GLY 15 HA1 GLY 15 11.695 -5.288 -3.863 109 H GLN 16 HN GLN 16 9.464 -4.144 -1.684 110 HA GLN 16 HA GLN 16 8.290 -6.854 -1.341 111 1HB GLN 16 HB2 GLN 16 8.281 -6.295 0.883 112 2HB GLN 16 HB1 GLN 16 9.539 -5.195 0.346 113 1HG GLN 16 HG2 GLN 16 7.874 -3.390 0.118 114 2HG GLN 16 HG1 GLN 16 6.601 -4.493 0.650 115 1HE2 GLN 16 HE21 GLN 16 7.295 -5.673 2.852 116 2HE2 GLN 16 HE22 GLN 16 7.927 -4.643 4.042 117 H THR 17 HN THR 17 6.187 -7.128 -2.138 118 HA THR 17 HA THR 17 4.699 -5.137 -3.400 119 HB THR 17 HB THR 17 2.932 -6.630 -3.412 120 HG1 THR 17 HG1 THR 17 2.235 -7.319 -1.575 121 1HG2 THR 17 HG21 THR 17 4.772 -8.769 -2.612 122 2HG2 THR 17 HG22 THR 17 5.386 -7.682 -3.859 123 3HG2 THR 17 HG23 THR 17 3.874 -8.556 -4.111 124 H VAL 18 HN VAL 18 2.272 -5.068 -2.506 125 HA VAL 18 HA VAL 18 2.193 -3.085 -0.365 126 HB VAL 18 HB VAL 18 0.191 -4.684 -1.899 127 1HG1 VAL 18 HG11 VAL 18 -0.013 -2.444 -0.004 128 2HG1 VAL 18 HG12 VAL 18 -1.118 -3.785 -0.297 129 3HG1 VAL 18 HG13 VAL 18 -1.085 -2.415 -1.408 130 1HG2 VAL 18 HG21 VAL 18 1.136 -1.909 -2.500 131 2HG2 VAL 18 HG22 VAL 18 0.226 -3.003 -3.544 132 3HG2 VAL 18 HG23 VAL 18 1.918 -3.337 -3.179 133 H HIS 19 HN HIS 19 0.682 -6.240 -1.031 134 HA HIS 19 HA HIS 19 -0.381 -6.821 1.524 135 1HB HIS 19 HB2 HIS 19 -0.477 -8.086 -0.733 136 2HB HIS 19 HB1 HIS 19 1.127 -8.690 -0.326 137 HD1 HIS 19 HD1 HIS 19 -2.436 -9.305 0.299 138 HD2 HIS 19 HD2 HIS 19 1.161 -10.258 2.178 139 HE1 HIS 19 HE1 HIS 19 -2.961 -11.146 1.958 140 H GLU 20 HN GLU 20 2.760 -6.707 0.115 141 HA GLU 20 HA GLU 20 4.159 -7.960 2.397 142 1HB GLU 20 HB2 GLU 20 4.871 -6.708 -0.241 143 2HB GLU 20 HB1 GLU 20 6.131 -7.078 0.937 144 1HG GLU 20 HG2 GLU 20 4.586 -9.379 0.929 145 2HG GLU 20 HG1 GLU 20 4.593 -8.897 -0.767 146 H LEU 21 HN LEU 21 3.737 -4.687 0.994 147 HA LEU 21 HA LEU 21 5.391 -3.395 3.009 148 1HB LEU 21 HB2 LEU 21 4.798 -2.462 0.764 149 2HB LEU 21 HB1 LEU 21 3.117 -2.324 1.291 150 HG LEU 21 HG LEU 21 4.071 -0.965 3.281 151 1HD1 LEU 21 HD11 LEU 21 6.460 -1.740 2.358 152 2HD1 LEU 21 HD12 LEU 21 6.234 -0.203 3.195 153 3HD1 LEU 21 HD13 LEU 21 6.291 -0.249 1.432 154 1HD2 LEU 21 HD21 LEU 21 3.802 1.053 2.082 155 2HD2 LEU 21 HD22 LEU 21 2.835 -0.118 1.188 156 3HD2 LEU 21 HD23 LEU 21 4.427 0.347 0.592 157 H LEU 22 HN LEU 22 1.878 -3.466 2.512 158 HA LEU 22 HA LEU 22 0.857 -2.306 4.779 159 1HB LEU 22 HB2 LEU 22 0.186 -4.728 3.128 160 2HB LEU 22 HB1 LEU 22 -0.850 -4.290 4.490 161 HG LEU 22 HG LEU 22 -0.054 -2.405 2.262 162 1HD1 LEU 22 HD11 LEU 22 -2.145 -2.798 1.290 163 2HD1 LEU 22 HD12 LEU 22 -2.808 -3.511 2.759 164 3HD1 LEU 22 HD13 LEU 22 -1.652 -4.418 1.783 165 1HD2 LEU 22 HD21 LEU 22 -0.855 -0.823 3.638 166 2HD2 LEU 22 HD22 LEU 22 -1.051 -2.042 4.896 167 3HD2 LEU 22 HD23 LEU 22 -2.378 -1.699 3.786 168 H GLU 23 HN GLU 23 1.623 -5.769 4.502 169 HA GLU 23 HA GLU 23 1.237 -6.476 7.226 170 1HB GLU 23 HB2 GLU 23 1.633 -7.982 5.286 171 2HB GLU 23 HB1 GLU 23 3.307 -7.435 5.217 172 1HG GLU 23 HG2 GLU 23 3.834 -9.071 6.675 173 2HG GLU 23 HG1 GLU 23 2.892 -8.211 7.892 174 H GLN 24 HN GLN 24 4.221 -5.366 5.566 175 HA GLN 24 HA GLN 24 5.947 -5.345 7.842 176 1HB GLN 24 HB2 GLN 24 6.606 -5.165 5.442 177 2HB GLN 24 HB1 GLN 24 5.893 -3.552 5.383 178 1HG GLN 24 HG2 GLN 24 8.386 -3.556 5.758 179 2HG GLN 24 HG1 GLN 24 7.473 -2.724 7.013 180 1HE2 GLN 24 HE21 GLN 24 8.730 -6.038 6.314 181 2HE2 GLN 24 HE22 GLN 24 9.138 -6.377 7.927 182 H LEU 25 HN LEU 25 3.885 -2.811 6.418 183 HA LEU 25 HA LEU 25 4.496 -0.730 8.273 184 1HB LEU 25 HB2 LEU 25 2.017 -1.369 6.631 185 2HB LEU 25 HB1 LEU 25 2.399 0.206 7.321 186 HG LEU 25 HG LEU 25 3.892 -1.263 5.139 187 1HD1 LEU 25 HD11 LEU 25 3.437 0.787 3.871 188 2HD1 LEU 25 HD12 LEU 25 2.622 1.483 5.270 189 3HD1 LEU 25 HD13 LEU 25 1.937 0.075 4.458 190 1HD2 LEU 25 HD21 LEU 25 4.717 1.227 6.650 191 2HD2 LEU 25 HD22 LEU 25 5.502 0.623 5.191 192 3HD2 LEU 25 HD23 LEU 25 5.548 -0.328 6.677 193 H ASP 26 HN ASP 26 2.635 -3.624 8.414 194 HA ASP 26 HA ASP 26 1.647 -4.679 10.269 195 1HB ASP 26 HB2 ASP 26 3.233 -3.012 11.480 196 2HB ASP 26 HB1 ASP 26 1.788 -2.040 11.706 197 H GLN 27 HN GLN 27 0.283 -3.391 8.093 198 HA GLN 27 HA GLN 27 -2.351 -2.879 9.405 199 1HB GLN 27 HB2 GLN 27 -2.539 -1.150 7.375 200 2HB GLN 27 HB1 GLN 27 -1.814 -0.666 8.905 201 1HG GLN 27 HG2 GLN 27 0.396 -0.957 8.057 202 2HG GLN 27 HG1 GLN 27 -0.191 -1.793 6.618 203 1HE2 GLN 27 HE21 GLN 27 0.227 1.359 8.116 204 2HE2 GLN 27 HE22 GLN 27 -0.174 2.269 6.750 205 H ARG 28 HN ARG 28 -3.721 -4.448 8.557 206 HA ARG 28 HA ARG 28 -3.055 -5.734 6.020 207 1HB ARG 28 HB2 ARG 28 -5.313 -6.086 8.020 208 2HB ARG 28 HB1 ARG 28 -4.904 -7.211 6.724 209 1HG ARG 28 HG2 ARG 28 -3.218 -6.489 9.136 210 2HG ARG 28 HG1 ARG 28 -3.864 -8.073 8.711 211 1HD ARG 28 HD2 ARG 28 -2.470 -7.822 6.528 212 2HD ARG 28 HD1 ARG 28 -1.587 -6.573 7.430 213 HE ARG 28 HE ARG 28 -1.254 -9.353 7.858 214 1HH1 ARG 28 HH21 ARG 28 -0.450 -6.474 9.243 215 2HH1 ARG 28 HH22 ARG 28 -0.419 -7.034 10.882 216 1HH2 ARG 28 HH11 ARG 28 -1.877 -10.088 10.148 217 2HH2 ARG 28 HH12 ARG 28 -1.228 -9.073 11.391 218 H GLN 29 HN GLN 29 -6.221 -6.002 5.975 219 HA GLN 29 HA GLN 29 -7.307 -3.504 5.178 220 1HB GLN 29 HB2 GLN 29 -7.006 -3.750 2.736 221 2HB GLN 29 HB1 GLN 29 -5.462 -3.615 3.568 222 1HG GLN 29 HG2 GLN 29 -6.629 -6.341 3.070 223 2HG GLN 29 HG1 GLN 29 -5.813 -5.500 1.759 224 1HE2 GLN 29 HE21 GLN 29 -5.040 -7.939 3.498 225 2HE2 GLN 29 HE22 GLN 29 -3.478 -7.565 4.048 226 H ALA 30 HN ALA 30 -8.873 -5.152 6.400 227 HA ALA 30 HA ALA 30 -9.994 -7.436 5.270 228 1HB ALA 30 HB1 ALA 30 -10.935 -5.135 6.910 229 2HB ALA 30 HB2 ALA 30 -10.958 -6.862 7.271 230 3HB ALA 30 HB3 ALA 30 -12.186 -6.163 6.217 231 H GLY 31 HN GLY 31 -10.232 -4.123 4.162 232 1HA GLY 31 HA2 GLY 31 -11.181 -4.892 1.552 233 2HA GLY 31 HA1 GLY 31 -12.493 -4.180 2.497 234 H ALA 32 HN ALA 32 -9.054 -3.323 2.649 235 HA ALA 32 HA ALA 32 -9.736 -0.477 2.311 236 1HB ALA 32 HB1 ALA 32 -7.048 -1.851 2.586 237 2HB ALA 32 HB2 ALA 32 -8.093 -1.486 3.960 238 3HB ALA 32 HB3 ALA 32 -7.433 -0.177 2.979 239 H ALA 33 HN ALA 33 -8.416 0.871 0.806 240 HA ALA 33 HA ALA 33 -7.445 -0.574 -1.630 241 1HB ALA 33 HB1 ALA 33 -9.775 1.216 -1.305 242 2HB ALA 33 HB2 ALA 33 -9.449 0.017 -2.558 243 3HB ALA 33 HB3 ALA 33 -8.727 1.624 -2.663 244 H LEU 34 HN LEU 34 -5.841 0.758 -2.808 245 HA LEU 34 HA LEU 34 -5.030 3.245 -1.399 246 1HB LEU 34 HB2 LEU 34 -3.524 2.068 -0.228 247 2HB LEU 34 HB1 LEU 34 -3.950 0.604 -1.095 248 HG LEU 34 HG LEU 34 -2.001 2.658 -2.183 249 1HD1 LEU 34 HD11 LEU 34 -1.352 0.021 -0.835 250 2HD1 LEU 34 HD12 LEU 34 -1.310 1.565 0.012 251 3HD1 LEU 34 HD13 LEU 34 -0.219 1.272 -1.342 252 1HD2 LEU 34 HD21 LEU 34 -1.340 0.277 -3.293 253 2HD2 LEU 34 HD22 LEU 34 -2.512 1.367 -4.027 254 3HD2 LEU 34 HD23 LEU 34 -3.065 0.002 -3.054 255 H ALA 35 HN ALA 35 -3.545 4.581 -2.642 256 HA ALA 35 HA ALA 35 -3.383 3.780 -5.527 257 1HB ALA 35 HB1 ALA 35 -4.169 5.868 -6.092 258 2HB ALA 35 HB2 ALA 35 -3.325 6.644 -4.750 259 3HB ALA 35 HB3 ALA 35 -4.847 5.804 -4.472 260 H ILE 36 HN ILE 36 -1.291 3.272 -5.936 261 HA ILE 36 HA ILE 36 0.823 4.804 -4.482 262 HB ILE 36 HB ILE 36 1.063 2.296 -6.177 263 1HG1 ILE 36 HG12 ILE 36 0.473 2.656 -3.229 264 2HG1 ILE 36 HG11 ILE 36 -0.445 1.723 -4.413 265 1HG2 ILE 36 HG21 ILE 36 2.960 4.032 -5.050 266 2HG2 ILE 36 HG22 ILE 36 3.264 2.412 -5.665 267 3HG2 ILE 36 HG23 ILE 36 2.911 2.650 -3.955 268 1HD1 ILE 36 HD11 ILE 36 2.178 1.072 -3.108 269 2HD1 ILE 36 HD12 ILE 36 1.820 0.422 -4.707 270 3HD1 ILE 36 HD13 ILE 36 0.766 0.038 -3.347 271 H ASN 37 HN ASN 37 2.186 6.141 -5.674 272 HA ASN 37 HA ASN 37 3.029 7.306 -7.549 273 1HB ASN 37 HB2 ASN 37 2.584 4.476 -8.318 274 2HB ASN 37 HB1 ASN 37 2.765 5.600 -9.665 275 1HD2 ASN 37 HD21 ASN 37 4.376 4.667 -6.578 276 2HD2 ASN 37 HD22 ASN 37 5.945 5.029 -7.115 277 H GLN 38 HN GLN 38 -0.036 6.923 -6.924 278 HA GLN 38 HA GLN 38 -1.863 8.251 -7.660 279 1HB GLN 38 HB2 GLN 38 -1.554 9.717 -9.393 280 2HB GLN 38 HB1 GLN 38 0.129 9.251 -9.188 281 1HG GLN 38 HG2 GLN 38 -0.431 7.349 -10.895 282 2HG GLN 38 HG1 GLN 38 -1.829 8.348 -11.289 283 1HE2 GLN 38 HE21 GLN 38 -1.261 9.399 -13.221 284 2HE2 GLN 38 HE22 GLN 38 0.181 10.262 -13.454 285 H GLN 39 HN GLN 39 -0.948 5.251 -8.462 286 HA GLN 39 HA GLN 39 -3.295 4.822 -10.266 287 1HB GLN 39 HB2 GLN 39 -2.167 2.889 -11.034 288 2HB GLN 39 HB1 GLN 39 -0.855 4.035 -10.779 289 1HG GLN 39 HG2 GLN 39 -0.735 3.011 -8.389 290 2HG GLN 39 HG1 GLN 39 -1.659 1.681 -9.085 291 1HE2 GLN 39 HE21 GLN 39 -0.392 0.044 -9.929 292 2HE2 GLN 39 HE22 GLN 39 1.186 0.234 -10.525 293 H ILE 40 HN ILE 40 -5.101 4.416 -8.991 294 HA ILE 40 HA ILE 40 -4.870 3.251 -6.331 295 HB ILE 40 HB ILE 40 -7.116 3.901 -8.247 296 1HG1 ILE 40 HG12 ILE 40 -7.720 5.305 -6.131 297 2HG1 ILE 40 HG11 ILE 40 -6.055 4.986 -5.646 298 1HG2 ILE 40 HG21 ILE 40 -8.734 3.167 -6.578 299 2HG2 ILE 40 HG22 ILE 40 -7.435 2.691 -5.486 300 3HG2 ILE 40 HG23 ILE 40 -7.686 1.807 -6.990 301 1HD1 ILE 40 HD11 ILE 40 -6.317 7.124 -6.929 302 2HD1 ILE 40 HD12 ILE 40 -6.851 6.175 -8.317 303 3HD1 ILE 40 HD13 ILE 40 -5.213 5.982 -7.694 304 H VAL 41 HN VAL 41 -4.026 1.172 -6.342 305 HA VAL 41 HA VAL 41 -4.964 -0.774 -8.363 306 HB VAL 41 HB VAL 41 -3.099 -1.043 -6.003 307 1HG1 VAL 41 HG11 VAL 41 -3.429 -2.764 -8.485 308 2HG1 VAL 41 HG12 VAL 41 -4.128 -3.141 -6.909 309 3HG1 VAL 41 HG13 VAL 41 -2.377 -3.086 -7.108 310 1HG2 VAL 41 HG21 VAL 41 -1.370 -0.967 -7.922 311 2HG2 VAL 41 HG22 VAL 41 -2.127 0.565 -7.483 312 3HG2 VAL 41 HG23 VAL 41 -2.675 -0.311 -8.911 313 HA PRO 42 HA PRO 42 -7.885 -2.407 -5.573 314 1HB PRO 42 HB2 PRO 42 -8.253 -4.799 -6.787 315 2HB PRO 42 HB1 PRO 42 -8.945 -3.276 -7.350 316 1HG PRO 42 HG2 PRO 42 -6.608 -4.786 -8.366 317 2HG PRO 42 HG1 PRO 42 -7.820 -3.864 -9.269 318 1HD PRO 42 HD2 PRO 42 -5.307 -2.941 -8.680 319 2HD PRO 42 HD1 PRO 42 -6.708 -1.891 -8.991 320 H ARG 43 HN ARG 43 -7.393 -3.205 -3.757 321 HA ARG 43 HA ARG 43 -5.286 -4.196 -2.493 322 1HB ARG 43 HB2 ARG 43 -6.878 -5.878 -1.342 323 2HB ARG 43 HB1 ARG 43 -7.332 -4.178 -1.315 324 1HG ARG 43 HG2 ARG 43 -8.457 -5.073 -3.673 325 2HG ARG 43 HG1 ARG 43 -8.653 -6.451 -2.595 326 1HD ARG 43 HD2 ARG 43 -9.691 -4.947 -0.899 327 2HD ARG 43 HD1 ARG 43 -9.566 -3.603 -2.051 328 HE ARG 43 HE ARG 43 -11.029 -6.113 -2.762 329 1HH1 ARG 43 HH11 ARG 43 -11.500 -2.984 -1.632 330 2HH1 ARG 43 HH12 ARG 43 -12.640 -2.534 -2.857 331 1HH2 ARG 43 HH21 ARG 43 -12.166 -5.406 -4.736 332 2HH2 ARG 43 HH22 ARG 43 -13.012 -3.900 -4.613 333 H GLU 44 HN GLU 44 -7.323 -6.385 -4.352 334 HA GLU 44 HA GLU 44 -6.144 -8.818 -4.048 335 1HB GLU 44 HB2 GLU 44 -8.096 -8.400 -5.313 336 2HB GLU 44 HB1 GLU 44 -7.232 -7.346 -6.431 337 1HG GLU 44 HG2 GLU 44 -7.609 -9.546 -7.475 338 2HG GLU 44 HG1 GLU 44 -5.883 -9.301 -7.190 339 H GLN 45 HN GLN 45 -4.700 -6.116 -5.836 340 HA GLN 45 HA GLN 45 -2.608 -7.882 -6.957 341 1HB GLN 45 HB2 GLN 45 -3.004 -4.877 -7.073 342 2HB GLN 45 HB1 GLN 45 -1.880 -5.798 -8.065 343 1HG GLN 45 HG2 GLN 45 -4.897 -6.105 -8.068 344 2HG GLN 45 HG1 GLN 45 -3.945 -5.301 -9.315 345 1HE2 GLN 45 HE21 GLN 45 -5.506 -7.487 -10.091 346 2HE2 GLN 45 HE22 GLN 45 -4.507 -8.815 -10.437 347 H TRP 46 HN TRP 46 -3.043 -5.662 -4.261 348 HA TRP 46 HA TRP 46 -0.569 -4.789 -3.515 349 1HB TRP 46 HB2 TRP 46 -2.689 -6.283 -1.946 350 2HB TRP 46 HB1 TRP 46 -1.370 -5.405 -1.180 351 HD1 TRP 46 HD1 TRP 46 -2.399 -3.623 -4.233 352 HE1 TRP 46 HE1 TRP 46 -3.912 -1.612 -3.666 353 HE3 TRP 46 HE3 TRP 46 -3.476 -4.677 0.634 354 HZ2 TRP 46 HZ2 TRP 46 -5.393 -0.597 -1.427 355 HZ3 TRP 46 HZ3 TRP 46 -4.922 -3.170 1.947 356 HH2 TRP 46 HH2 TRP 46 -5.893 -1.130 0.927 357 H ALA 47 HN ALA 47 -1.691 -8.157 -3.316 358 HA ALA 47 HA ALA 47 0.683 -9.194 -2.036 359 1HB ALA 47 HB1 ALA 47 -0.880 -10.797 -1.847 360 2HB ALA 47 HB2 ALA 47 -0.631 -11.175 -3.554 361 3HB ALA 47 HB3 ALA 47 -1.875 -10.018 -3.073 362 H GLN 48 HN GLN 48 0.078 -8.118 -5.208 363 HA GLN 48 HA GLN 48 2.492 -9.582 -6.202 364 1HB GLN 48 HB2 GLN 48 -0.074 -8.875 -7.675 365 2HB GLN 48 HB1 GLN 48 1.305 -9.722 -8.382 366 1HG GLN 48 HG2 GLN 48 1.013 -11.576 -6.824 367 2HG GLN 48 HG1 GLN 48 -0.273 -10.711 -5.987 368 1HE2 GLN 48 HE21 GLN 48 -1.326 -9.722 -8.731 369 2HE2 GLN 48 HE22 GLN 48 -2.150 -11.067 -9.355 370 H HIS 49 HN HIS 49 1.334 -6.685 -5.246 371 HA HIS 49 HA HIS 49 2.424 -5.038 -7.460 372 1HB HIS 49 HB2 HIS 49 0.209 -4.664 -6.309 373 2HB HIS 49 HB1 HIS 49 1.100 -4.288 -4.836 374 HD1 HIS 49 HD1 HIS 49 -0.666 -2.125 -6.210 375 HD2 HIS 49 HD2 HIS 49 3.426 -2.560 -6.903 376 HE1 HIS 49 HE1 HIS 49 0.157 0.106 -7.078 377 H ILE 50 HN ILE 50 4.687 -5.900 -6.916 378 HA ILE 50 HA ILE 50 6.065 -5.536 -4.511 379 HB ILE 50 HB ILE 50 6.895 -5.331 -7.413 380 1HG1 ILE 50 HG12 ILE 50 6.045 -7.510 -6.424 381 2HG1 ILE 50 HG11 ILE 50 7.689 -7.583 -7.059 382 1HG2 ILE 50 HG21 ILE 50 9.210 -5.899 -6.179 383 2HG2 ILE 50 HG22 ILE 50 8.465 -4.927 -4.909 384 3HG2 ILE 50 HG23 ILE 50 8.715 -4.241 -6.513 385 1HD1 ILE 50 HD11 ILE 50 7.500 -6.762 -4.228 386 2HD1 ILE 50 HD12 ILE 50 8.605 -7.900 -4.999 387 3HD1 ILE 50 HD13 ILE 50 6.980 -8.417 -4.553 388 H VAL 51 HN VAL 51 6.651 -3.799 -3.388 389 HA VAL 51 HA VAL 51 6.095 -1.071 -4.397 390 HB VAL 51 HB VAL 51 7.021 -2.158 -1.718 391 1HG1 VAL 51 HG11 VAL 51 7.284 0.187 -1.708 392 2HG1 VAL 51 HG12 VAL 51 5.721 -0.101 -0.943 393 3HG1 VAL 51 HG13 VAL 51 5.797 0.431 -2.623 394 1HG2 VAL 51 HG21 VAL 51 4.651 -2.293 -1.153 395 2HG2 VAL 51 HG22 VAL 51 4.934 -3.227 -2.621 396 3HG2 VAL 51 HG23 VAL 51 4.207 -1.626 -2.725 397 H GLN 52 HN GLN 52 7.734 0.548 -4.603 398 HA GLN 52 HA GLN 52 10.556 -0.478 -4.555 399 1HB GLN 52 HB2 GLN 52 9.133 1.632 -6.159 400 2HB GLN 52 HB1 GLN 52 10.877 1.389 -6.210 401 1HG GLN 52 HG2 GLN 52 8.957 -0.889 -6.716 402 2HG GLN 52 HG1 GLN 52 9.487 0.178 -8.017 403 1HE2 GLN 52 HE21 GLN 52 10.735 -2.069 -5.511 404 2HE2 GLN 52 HE22 GLN 52 12.181 -2.420 -6.329 405 H ASP 53 HN ASP 53 12.221 0.961 -3.960 406 HA ASP 53 HA ASP 53 11.857 2.538 -1.645 407 1HB ASP 53 HB2 ASP 53 14.018 1.880 -1.956 408 2HB ASP 53 HB1 ASP 53 13.914 2.015 -3.707 409 H GLY 54 HN GLY 54 10.608 4.193 -1.598 410 1HA GLY 54 HA2 GLY 54 10.390 6.638 -2.005 411 2HA GLY 54 HA1 GLY 54 10.660 6.286 -3.720 412 H ASP 55 HN ASP 55 9.043 3.727 -2.426 413 HA ASP 55 HA ASP 55 6.763 3.692 -3.887 414 1HB ASP 55 HB2 ASP 55 7.283 1.913 -2.420 415 2HB ASP 55 HB1 ASP 55 7.302 2.973 -1.015 416 H GLN 56 HN GLN 56 4.787 4.799 -3.927 417 HA GLN 56 HA GLN 56 4.315 6.804 -1.745 418 1HB GLN 56 HB2 GLN 56 4.815 8.047 -3.716 419 2HB GLN 56 HB1 GLN 56 3.938 6.916 -4.748 420 1HG GLN 56 HG2 GLN 56 1.965 7.924 -4.366 421 2HG GLN 56 HG1 GLN 56 2.273 8.062 -2.641 422 1HE2 GLN 56 HE21 GLN 56 3.760 9.928 -1.976 423 2HE2 GLN 56 HE22 GLN 56 3.757 11.338 -2.921 424 H ILE 57 HN ILE 57 2.118 6.776 -0.942 425 HA ILE 57 HA ILE 57 0.344 4.774 -2.282 426 HB ILE 57 HB ILE 57 1.244 4.899 0.579 427 1HG1 ILE 57 HG12 ILE 57 1.326 2.648 -1.430 428 2HG1 ILE 57 HG11 ILE 57 2.700 3.680 -1.023 429 1HG2 ILE 57 HG21 ILE 57 -1.031 3.388 -0.700 430 2HG2 ILE 57 HG22 ILE 57 -1.100 4.478 0.683 431 3HG2 ILE 57 HG23 ILE 57 -0.314 2.909 0.841 432 1HD1 ILE 57 HD11 ILE 57 2.927 2.798 1.094 433 2HD1 ILE 57 HD12 ILE 57 2.262 1.385 0.272 434 3HD1 ILE 57 HD13 ILE 57 1.210 2.426 1.227 435 H LEU 58 HN LEU 58 -1.805 5.173 -2.124 436 HA LEU 58 HA LEU 58 -2.665 7.528 -0.523 437 1HB LEU 58 HB2 LEU 58 -2.812 7.401 -3.142 438 2HB LEU 58 HB1 LEU 58 -4.199 6.368 -2.818 439 HG LEU 58 HG LEU 58 -5.067 8.216 -1.286 440 1HD1 LEU 58 HD11 LEU 58 -4.057 10.501 -2.253 441 2HD1 LEU 58 HD12 LEU 58 -2.623 9.494 -2.447 442 3HD1 LEU 58 HD13 LEU 58 -3.344 9.698 -0.850 443 1HD2 LEU 58 HD21 LEU 58 -4.821 8.314 -4.265 444 2HD2 LEU 58 HD22 LEU 58 -5.535 9.706 -3.450 445 3HD2 LEU 58 HD23 LEU 58 -6.258 8.107 -3.266 446 H LEU 59 HN LEU 59 -4.573 7.128 0.822 447 HA LEU 59 HA LEU 59 -5.035 4.200 1.236 448 1HB LEU 59 HB2 LEU 59 -3.978 5.635 2.998 449 2HB LEU 59 HB1 LEU 59 -5.468 6.570 3.079 450 HG LEU 59 HG LEU 59 -5.270 4.791 4.847 451 1HD1 LEU 59 HD11 LEU 59 -7.535 4.455 4.849 452 2HD1 LEU 59 HD12 LEU 59 -7.565 3.925 3.169 453 3HD1 LEU 59 HD13 LEU 59 -7.470 5.645 3.549 454 1HD2 LEU 59 HD21 LEU 59 -5.403 2.480 4.271 455 2HD2 LEU 59 HD22 LEU 59 -4.145 3.155 3.236 456 3HD2 LEU 59 HD23 LEU 59 -5.753 2.847 2.582 457 H PHE 60 HN PHE 60 -7.041 3.348 1.090 458 HA PHE 60 HA PHE 60 -9.385 5.201 0.770 459 1HB PHE 60 HB2 PHE 60 -8.666 2.555 -0.523 460 2HB PHE 60 HB1 PHE 60 -10.259 3.293 -0.672 461 HD1 PHE 60 HD1 PHE 60 -6.630 4.066 -1.151 462 HD2 PHE 60 HD2 PHE 60 -10.670 4.879 -2.341 463 HE1 PHE 60 HE1 PHE 60 -5.806 5.536 -2.965 464 HE2 PHE 60 HE2 PHE 60 -9.844 6.352 -4.156 465 HZ PHE 60 HZ PHE 60 -7.406 6.680 -4.469 466 H GLN 61 HN GLN 61 -11.267 4.549 1.951 467 HA GLN 61 HA GLN 61 -10.720 2.744 4.224 468 1HB GLN 61 HB2 GLN 61 -13.125 4.440 3.490 469 2HB GLN 61 HB1 GLN 61 -12.789 3.745 5.077 470 1HG GLN 61 HG2 GLN 61 -10.494 5.241 4.130 471 2HG GLN 61 HG1 GLN 61 -11.936 6.255 4.106 472 1HE2 GLN 61 HE21 GLN 61 -9.454 5.160 6.122 473 2HE2 GLN 61 HE22 GLN 61 -10.188 5.471 7.621 474 H VAL 62 HN VAL 62 -12.273 1.081 4.857 475 HA VAL 62 HA VAL 62 -12.808 -0.978 3.141 476 HB VAL 62 HB VAL 62 -13.185 -1.084 5.522 477 1HG1 VAL 62 HG11 VAL 62 -13.907 1.181 5.936 478 2HG1 VAL 62 HG12 VAL 62 -15.185 0.103 6.500 479 3HG1 VAL 62 HG13 VAL 62 -15.359 0.952 4.963 480 1HG2 VAL 62 HG21 VAL 62 -14.961 -2.535 5.454 481 2HG2 VAL 62 HG22 VAL 62 -14.805 -2.283 3.715 482 3HG2 VAL 62 HG23 VAL 62 -16.005 -1.376 4.635 483 H ILE 63 HN ILE 63 -14.407 -1.555 1.655 484 HA ILE 63 HA ILE 63 -16.392 0.577 0.946 485 HB ILE 63 HB ILE 63 -15.043 -1.439 -0.878 486 1HG1 ILE 63 HG12 ILE 63 -14.033 1.081 -1.452 487 2HG1 ILE 63 HG11 ILE 63 -14.095 1.071 0.311 488 1HG2 ILE 63 HG21 ILE 63 -15.778 0.229 -2.622 489 2HG2 ILE 63 HG22 ILE 63 -16.663 1.077 -1.354 490 3HG2 ILE 63 HG23 ILE 63 -17.116 -0.568 -1.790 491 1HD1 ILE 63 HD11 ILE 63 -13.029 -1.323 0.047 492 2HD1 ILE 63 HD12 ILE 63 -12.010 0.111 -0.070 493 3HD1 ILE 63 HD13 ILE 63 -12.539 -0.719 -1.534 494 H ALA 64 HN ALA 64 -18.124 -0.352 2.098 495 HA ALA 64 HA ALA 64 -18.886 -3.126 1.274 496 1HB ALA 64 HB1 ALA 64 -20.062 -2.444 3.731 497 2HB ALA 64 HB2 ALA 64 -18.420 -1.806 3.792 498 3HB ALA 64 HB3 ALA 64 -18.687 -3.520 3.478 499 H GLY 65 HN GLY 65 -21.260 -3.522 1.439 500 1HA GLY 65 HA2 GLY 65 -23.119 -1.300 1.497 501 2HA GLY 65 HA1 GLY 65 -22.837 -1.877 -0.147 502 H GLY 66 HN GLY 66 -24.328 -2.614 2.909 503 1HA GLY 66 HA2 GLY 66 -26.264 -4.357 1.912 504 2HA GLY 66 HA1 GLY 66 -24.897 -5.392 2.329 Start of MODEL 14 1 1H MET 1 HT1 MET 1 14.285 0.516 2.914 2 2H MET 1 HT2 MET 1 12.807 0.678 3.734 3 3H MET 1 HT3 MET 1 14.001 1.876 3.887 4 HA MET 1 HA MET 1 13.772 2.251 1.409 5 1HB MET 1 HB2 MET 1 12.177 1.033 0.285 6 2HB MET 1 HB1 MET 1 12.482 -0.104 1.581 7 1HG MET 1 HG2 MET 1 10.625 0.979 2.877 8 2HG MET 1 HG1 MET 1 10.263 1.936 1.445 9 1HE MET 1 HE1 MET 1 10.102 -0.649 -1.185 10 2HE MET 1 HE2 MET 1 10.391 1.007 -0.666 11 3HE MET 1 HE3 MET 1 8.741 0.443 -0.904 12 H GLN 2 HN GLN 2 11.620 3.531 0.686 13 HA GLN 2 HA GLN 2 10.273 4.745 3.015 14 1HB GLN 2 HB2 GLN 2 12.235 6.090 2.791 15 2HB GLN 2 HB1 GLN 2 12.071 6.134 1.039 16 1HG GLN 2 HG2 GLN 2 9.746 7.239 1.573 17 2HG GLN 2 HG1 GLN 2 10.498 7.609 3.122 18 1HE2 GLN 2 HE21 GLN 2 13.233 7.831 1.831 19 2HE2 GLN 2 HE22 GLN 2 13.219 9.334 1.041 20 H ILE 3 HN ILE 3 8.330 5.757 2.445 21 HA ILE 3 HA ILE 3 7.565 5.562 -0.398 22 HB ILE 3 HB ILE 3 6.001 3.936 0.068 23 1HG1 ILE 3 HG12 ILE 3 5.810 5.345 2.655 24 2HG1 ILE 3 HG11 ILE 3 4.536 4.644 1.673 25 1HG2 ILE 3 HG21 ILE 3 7.040 2.225 1.465 26 2HG2 ILE 3 HG22 ILE 3 7.975 3.451 2.323 27 3HG2 ILE 3 HG23 ILE 3 8.320 3.101 0.627 28 1HD1 ILE 3 HD11 ILE 3 5.075 2.410 2.510 29 2HD1 ILE 3 HD12 ILE 3 4.814 3.493 3.876 30 3HD1 ILE 3 HD13 ILE 3 6.453 3.049 3.406 31 H LEU 4 HN LEU 4 5.201 6.278 -0.589 32 HA LEU 4 HA LEU 4 4.627 8.452 1.364 33 1HB LEU 4 HB2 LEU 4 5.410 9.286 -0.876 34 2HB LEU 4 HB1 LEU 4 4.078 8.401 -1.629 35 HG LEU 4 HG LEU 4 3.657 10.919 -1.066 36 1HD1 LEU 4 HD11 LEU 4 1.565 9.355 0.271 37 2HD1 LEU 4 HD12 LEU 4 2.048 8.703 -1.294 38 3HD1 LEU 4 HD13 LEU 4 1.462 10.364 -1.174 39 1HD2 LEU 4 HD21 LEU 4 4.637 10.348 1.327 40 2HD2 LEU 4 HD22 LEU 4 2.981 9.852 1.637 41 3HD2 LEU 4 HD23 LEU 4 3.329 11.512 1.148 42 H PHE 5 HN PHE 5 2.967 7.571 2.510 43 HA PHE 5 HA PHE 5 0.912 5.991 1.028 44 1HB PHE 5 HB2 PHE 5 2.047 4.900 2.896 45 2HB PHE 5 HB1 PHE 5 1.666 6.254 3.953 46 HD1 PHE 5 HD1 PHE 5 -0.223 6.130 5.298 47 HD2 PHE 5 HD2 PHE 5 -0.043 3.781 1.708 48 HE1 PHE 5 HE1 PHE 5 -2.383 5.068 5.888 49 HE2 PHE 5 HE2 PHE 5 -2.207 2.719 2.297 50 HZ PHE 5 HZ PHE 5 -3.376 3.362 4.386 51 H ASN 6 HN ASN 6 -0.575 7.568 0.311 52 HA ASN 6 HA ASN 6 -2.188 9.241 0.477 53 1HB ASN 6 HB2 ASN 6 -2.764 7.566 2.378 54 2HB ASN 6 HB1 ASN 6 -2.089 8.784 3.458 55 1HD2 ASN 6 HD21 ASN 6 -4.029 9.545 4.437 56 2HD2 ASN 6 HD22 ASN 6 -5.298 10.259 3.562 57 H ASP 7 HN ASP 7 0.061 10.258 0.056 58 HA ASP 7 HA ASP 7 1.417 12.153 0.207 59 1HB ASP 7 HB2 ASP 7 -0.591 13.400 2.019 60 2HB ASP 7 HB1 ASP 7 0.237 14.077 0.620 61 H GLN 8 HN GLN 8 1.357 10.038 2.467 62 HA GLN 8 HA GLN 8 2.791 11.733 4.511 63 1HB GLN 8 HB2 GLN 8 1.488 9.016 4.851 64 2HB GLN 8 HB1 GLN 8 2.134 10.046 6.131 65 1HG GLN 8 HG2 GLN 8 0.244 11.482 4.463 66 2HG GLN 8 HG1 GLN 8 -0.488 10.049 5.183 67 1HE2 GLN 8 HE21 GLN 8 1.612 12.824 6.153 68 2HE2 GLN 8 HE22 GLN 8 0.930 12.987 7.698 69 H ALA 9 HN ALA 9 4.955 11.440 4.341 70 HA ALA 9 HA ALA 9 6.104 9.325 2.758 71 1HB ALA 9 HB1 ALA 9 7.829 10.610 4.763 72 2HB ALA 9 HB2 ALA 9 6.895 11.755 3.797 73 3HB ALA 9 HB3 ALA 9 7.968 10.599 3.006 74 H MET 10 HN MET 10 7.309 7.511 3.468 75 HA MET 10 HA MET 10 7.031 6.707 6.358 76 1HB MET 10 HB2 MET 10 5.327 5.860 4.450 77 2HB MET 10 HB1 MET 10 6.649 4.729 4.192 78 1HG MET 10 HG2 MET 10 5.376 3.576 5.734 79 2HG MET 10 HG1 MET 10 6.524 4.397 6.778 80 1HE MET 10 HE1 MET 10 2.218 4.424 6.359 81 2HE MET 10 HE2 MET 10 3.452 4.056 5.158 82 3HE MET 10 HE3 MET 10 2.737 5.658 5.208 83 H GLN 11 HN GLN 11 8.180 4.526 6.630 84 HA GLN 11 HA GLN 11 10.345 4.031 4.739 85 1HB GLN 11 HB2 GLN 11 11.612 3.749 7.198 86 2HB GLN 11 HB1 GLN 11 11.878 5.028 6.028 87 1HG GLN 11 HG2 GLN 11 10.599 6.563 7.210 88 2HG GLN 11 HG1 GLN 11 9.579 5.313 7.925 89 1HE2 GLN 11 HE21 GLN 11 10.942 7.425 9.439 90 2HE2 GLN 11 HE22 GLN 11 12.048 6.661 10.475 91 H CYS 12 HN CYS 12 10.229 2.042 4.342 92 HA CYS 12 HA CYS 12 9.703 0.024 6.476 93 1HB CYS 12 HB2 CYS 12 8.038 -0.990 4.765 94 2HB CYS 12 HB1 CYS 12 7.521 0.432 5.668 95 HG CYS 12 HG CYS 12 7.819 0.315 2.686 96 H ALA 13 HN ALA 13 9.489 -2.176 4.810 97 HA ALA 13 HA ALA 13 12.260 -2.531 4.095 98 1HB ALA 13 HB1 ALA 13 9.876 -4.115 4.634 99 2HB ALA 13 HB2 ALA 13 11.569 -4.523 4.914 100 3HB ALA 13 HB3 ALA 13 10.848 -4.789 3.326 101 H ALA 14 HN ALA 14 13.015 -1.834 2.180 102 HA ALA 14 HA ALA 14 11.440 -1.441 -0.185 103 1HB ALA 14 HB1 ALA 14 13.412 -0.420 -0.599 104 2HB ALA 14 HB2 ALA 14 14.082 -2.017 -0.931 105 3HB ALA 14 HB3 ALA 14 14.203 -1.329 0.689 106 H GLY 15 HN GLY 15 11.085 -2.861 -1.919 107 1HA GLY 15 HA2 GLY 15 11.191 -4.870 -3.163 108 2HA GLY 15 HA1 GLY 15 12.330 -5.487 -1.972 109 H GLN 16 HN GLN 16 9.829 -4.200 -0.254 110 HA GLN 16 HA GLN 16 8.633 -6.886 0.150 111 1HB GLN 16 HB2 GLN 16 8.588 -6.224 2.308 112 2HB GLN 16 HB1 GLN 16 9.581 -4.878 1.786 113 1HG GLN 16 HG2 GLN 16 7.657 -3.448 1.536 114 2HG GLN 16 HG1 GLN 16 6.553 -4.804 1.765 115 1HE2 GLN 16 HE21 GLN 16 6.990 -2.246 3.407 116 2HE2 GLN 16 HE22 GLN 16 7.240 -2.802 4.991 117 H THR 17 HN THR 17 6.651 -7.281 -0.908 118 HA THR 17 HA THR 17 5.255 -5.487 -2.515 119 HB THR 17 HB THR 17 3.464 -7.023 -2.461 120 HG1 THR 17 HG1 THR 17 3.412 -8.549 -0.615 121 1HG2 THR 17 HG21 THR 17 4.666 -8.718 -3.254 122 2HG2 THR 17 HG22 THR 17 5.163 -9.167 -1.622 123 3HG2 THR 17 HG23 THR 17 6.104 -7.993 -2.541 124 H VAL 18 HN VAL 18 2.734 -5.364 -1.903 125 HA VAL 18 HA VAL 18 2.399 -3.152 -0.022 126 HB VAL 18 HB VAL 18 0.573 -4.994 -1.477 127 1HG1 VAL 18 HG11 VAL 18 -0.784 -3.910 0.021 128 2HG1 VAL 18 HG12 VAL 18 -0.882 -2.855 -1.390 129 3HG1 VAL 18 HG13 VAL 18 0.176 -2.433 -0.044 130 1HG2 VAL 18 HG21 VAL 18 2.252 -3.900 -2.907 131 2HG2 VAL 18 HG22 VAL 18 1.686 -2.337 -2.318 132 3HG2 VAL 18 HG23 VAL 18 0.613 -3.363 -3.276 133 H HIS 19 HN HIS 19 1.162 -6.480 -0.400 134 HA HIS 19 HA HIS 19 -0.125 -6.827 2.097 135 1HB HIS 19 HB2 HIS 19 0.109 -8.381 0.064 136 2HB HIS 19 HB1 HIS 19 1.742 -8.721 0.618 137 HD1 HIS 19 HD1 HIS 19 -1.623 -9.964 0.915 138 HD2 HIS 19 HD2 HIS 19 1.661 -9.787 3.480 139 HE1 HIS 19 HE1 HIS 19 -2.058 -11.653 2.752 140 H GLU 20 HN GLU 20 3.148 -6.575 0.999 141 HA GLU 20 HA GLU 20 4.365 -7.325 3.605 142 1HB GLU 20 HB2 GLU 20 5.357 -6.402 0.921 143 2HB GLU 20 HB1 GLU 20 6.448 -6.597 2.289 144 1HG GLU 20 HG2 GLU 20 4.562 -8.811 1.512 145 2HG GLU 20 HG1 GLU 20 6.108 -8.622 0.683 146 H LEU 21 HN LEU 21 3.677 -4.401 1.703 147 HA LEU 21 HA LEU 21 5.070 -2.647 3.573 148 1HB LEU 21 HB2 LEU 21 4.708 -2.145 1.176 149 2HB LEU 21 HB1 LEU 21 2.965 -2.134 1.439 150 HG LEU 21 HG LEU 21 3.143 -0.224 2.916 151 1HD1 LEU 21 HD11 LEU 21 6.131 -0.451 2.485 152 2HD1 LEU 21 HD12 LEU 21 5.290 -0.862 3.978 153 3HD1 LEU 21 HD13 LEU 21 5.317 0.807 3.411 154 1HD2 LEU 21 HD21 LEU 21 3.428 -0.025 0.287 155 2HD2 LEU 21 HD22 LEU 21 5.037 0.551 0.731 156 3HD2 LEU 21 HD23 LEU 21 3.606 1.384 1.328 157 H LEU 22 HN LEU 22 1.600 -3.140 2.817 158 HA LEU 22 HA LEU 22 0.348 -1.704 4.841 159 1HB LEU 22 HB2 LEU 22 -0.090 -4.399 3.565 160 2HB LEU 22 HB1 LEU 22 -1.203 -3.815 4.788 161 HG LEU 22 HG LEU 22 -1.306 -3.274 2.059 162 1HD1 LEU 22 HD11 LEU 22 -2.810 -3.031 4.366 163 2HD1 LEU 22 HD12 LEU 22 -3.345 -2.643 2.736 164 3HD1 LEU 22 HD13 LEU 22 -2.703 -1.376 3.772 165 1HD2 LEU 22 HD21 LEU 22 -0.635 -0.706 3.526 166 2HD2 LEU 22 HD22 LEU 22 -0.949 -0.912 1.804 167 3HD2 LEU 22 HD23 LEU 22 0.531 -1.553 2.510 168 H GLU 23 HN GLU 23 1.343 -5.112 5.038 169 HA GLU 23 HA GLU 23 0.813 -5.616 7.752 170 1HB GLU 23 HB2 GLU 23 1.608 -7.152 5.912 171 2HB GLU 23 HB1 GLU 23 3.227 -6.494 6.131 172 1HG GLU 23 HG2 GLU 23 1.690 -7.673 8.444 173 2HG GLU 23 HG1 GLU 23 2.651 -8.690 7.367 174 H GLN 24 HN GLN 24 3.789 -4.231 6.296 175 HA GLN 24 HA GLN 24 5.249 -3.847 8.731 176 1HB GLN 24 HB2 GLN 24 6.026 -3.668 6.306 177 2HB GLN 24 HB1 GLN 24 5.235 -2.095 6.253 178 1HG GLN 24 HG2 GLN 24 7.369 -1.448 6.868 179 2HG GLN 24 HG1 GLN 24 6.641 -1.682 8.458 180 1HE2 GLN 24 HE21 GLN 24 7.025 -3.889 9.488 181 2HE2 GLN 24 HE22 GLN 24 8.476 -4.698 9.129 182 H LEU 25 HN LEU 25 3.031 -1.765 6.917 183 HA LEU 25 HA LEU 25 3.162 0.488 8.713 184 1HB LEU 25 HB2 LEU 25 1.432 -0.459 6.421 185 2HB LEU 25 HB1 LEU 25 1.046 1.030 7.286 186 HG LEU 25 HG LEU 25 3.444 1.760 6.852 187 1HD1 LEU 25 HD11 LEU 25 4.730 0.726 5.150 188 2HD1 LEU 25 HD12 LEU 25 3.419 -0.367 4.725 189 3HD1 LEU 25 HD13 LEU 25 4.266 -0.555 6.254 190 1HD2 LEU 25 HD21 LEU 25 1.674 1.262 4.447 191 2HD2 LEU 25 HD22 LEU 25 2.988 2.432 4.514 192 3HD2 LEU 25 HD23 LEU 25 1.564 2.648 5.534 193 H ASP 26 HN ASP 26 1.415 -2.487 8.629 194 HA ASP 26 HA ASP 26 0.282 -3.489 10.512 195 1HB ASP 26 HB2 ASP 26 1.005 -1.463 11.871 196 2HB ASP 26 HB1 ASP 26 -0.445 -0.658 11.276 197 H GLN 27 HN GLN 27 -0.517 -2.519 7.813 198 HA GLN 27 HA GLN 27 -3.438 -2.060 8.153 199 1HB GLN 27 HB2 GLN 27 -1.749 -2.133 5.636 200 2HB GLN 27 HB1 GLN 27 -3.285 -1.302 5.877 201 1HG GLN 27 HG2 GLN 27 -1.079 -0.517 7.718 202 2HG GLN 27 HG1 GLN 27 -0.890 -0.042 6.031 203 1HE2 GLN 27 HE21 GLN 27 -2.497 0.709 8.976 204 2HE2 GLN 27 HE22 GLN 27 -3.546 1.898 8.366 205 H ARG 28 HN ARG 28 -4.754 -3.913 8.002 206 HA ARG 28 HA ARG 28 -3.491 -6.310 6.816 207 1HB ARG 28 HB2 ARG 28 -6.008 -5.913 8.448 208 2HB ARG 28 HB1 ARG 28 -5.413 -7.484 7.900 209 1HG ARG 28 HG2 ARG 28 -4.325 -7.447 9.916 210 2HG ARG 28 HG1 ARG 28 -3.150 -6.503 8.996 211 1HD ARG 28 HD2 ARG 28 -3.504 -4.775 10.388 212 2HD ARG 28 HD1 ARG 28 -5.186 -4.708 9.826 213 HE ARG 28 HE ARG 28 -4.315 -6.541 12.036 214 1HH1 ARG 28 HH21 ARG 28 -5.484 -3.721 12.524 215 2HH1 ARG 28 HH22 ARG 28 -7.126 -4.129 12.899 216 1HH2 ARG 28 HH11 ARG 28 -6.886 -7.359 11.663 217 2HH2 ARG 28 HH12 ARG 28 -7.918 -6.188 12.410 218 H GLN 29 HN GLN 29 -5.618 -3.849 5.968 219 HA GLN 29 HA GLN 29 -6.684 -3.431 3.930 220 1HB GLN 29 HB2 GLN 29 -6.084 -6.298 3.233 221 2HB GLN 29 HB1 GLN 29 -6.281 -4.927 2.150 222 1HG GLN 29 HG2 GLN 29 -4.125 -4.283 2.377 223 2HG GLN 29 HG1 GLN 29 -4.122 -4.550 4.116 224 1HE2 GLN 29 HE21 GLN 29 -3.968 -6.315 0.998 225 2HE2 GLN 29 HE22 GLN 29 -3.040 -7.606 1.596 226 H ALA 30 HN ALA 30 -8.085 -4.381 6.294 227 HA ALA 30 HA ALA 30 -9.949 -6.422 5.981 228 1HB ALA 30 HB1 ALA 30 -11.168 -3.938 6.887 229 2HB ALA 30 HB2 ALA 30 -9.546 -4.130 7.550 230 3HB ALA 30 HB3 ALA 30 -10.763 -5.378 7.820 231 H GLY 31 HN GLY 31 -9.649 -3.452 4.196 232 1HA GLY 31 HA2 GLY 31 -11.266 -4.214 2.028 233 2HA GLY 31 HA1 GLY 31 -12.291 -3.273 3.120 234 H ALA 32 HN ALA 32 -9.212 -3.143 1.334 235 HA ALA 32 HA ALA 32 -9.601 -0.187 1.120 236 1HB ALA 32 HB1 ALA 32 -7.258 0.128 1.772 237 2HB ALA 32 HB2 ALA 32 -7.017 -1.617 1.852 238 3HB ALA 32 HB3 ALA 32 -8.074 -0.819 3.016 239 H ALA 33 HN ALA 33 -7.991 0.715 -0.500 240 HA ALA 33 HA ALA 33 -6.942 -1.156 -2.538 241 1HB ALA 33 HB1 ALA 33 -8.582 -0.770 -4.066 242 2HB ALA 33 HB2 ALA 33 -8.544 0.965 -3.754 243 3HB ALA 33 HB3 ALA 33 -9.522 -0.092 -2.737 244 H LEU 34 HN LEU 34 -5.327 0.057 -3.890 245 HA LEU 34 HA LEU 34 -4.973 2.875 -3.057 246 1HB LEU 34 HB2 LEU 34 -3.441 2.305 -1.506 247 2HB LEU 34 HB1 LEU 34 -3.695 0.611 -1.891 248 HG LEU 34 HG LEU 34 -1.712 2.448 -3.287 249 1HD1 LEU 34 HD11 LEU 34 -1.408 1.455 -0.808 250 2HD1 LEU 34 HD12 LEU 34 -0.060 1.573 -1.937 251 3HD1 LEU 34 HD13 LEU 34 -0.902 0.038 -1.726 252 1HD2 LEU 34 HD21 LEU 34 -1.754 0.894 -4.924 253 2HD2 LEU 34 HD22 LEU 34 -2.843 -0.137 -3.992 254 3HD2 LEU 34 HD23 LEU 34 -1.099 -0.253 -3.755 255 H ALA 35 HN ALA 35 -3.141 3.960 -4.234 256 HA ALA 35 HA ALA 35 -2.615 2.663 -6.898 257 1HB ALA 35 HB1 ALA 35 -3.379 4.545 -7.970 258 2HB ALA 35 HB2 ALA 35 -2.714 5.617 -6.737 259 3HB ALA 35 HB3 ALA 35 -4.257 4.816 -6.466 260 H ILE 36 HN ILE 36 -0.437 2.392 -7.124 261 HA ILE 36 HA ILE 36 1.340 4.199 -5.535 262 HB ILE 36 HB ILE 36 1.888 1.490 -6.811 263 1HG1 ILE 36 HG12 ILE 36 1.130 2.304 -3.988 264 2HG1 ILE 36 HG11 ILE 36 0.286 1.166 -5.039 265 1HG2 ILE 36 HG21 ILE 36 4.032 1.728 -6.118 266 2HG2 ILE 36 HG22 ILE 36 3.537 2.412 -4.568 267 3HG2 ILE 36 HG23 ILE 36 3.660 3.448 -5.990 268 1HD1 ILE 36 HD11 ILE 36 3.063 0.797 -3.872 269 2HD1 ILE 36 HD12 ILE 36 2.282 -0.320 -4.988 270 3HD1 ILE 36 HD13 ILE 36 1.607 -0.066 -3.379 271 H ASN 37 HN ASN 37 2.509 5.664 -6.692 272 HA ASN 37 HA ASN 37 3.583 6.742 -8.470 273 1HB ASN 37 HB2 ASN 37 3.571 3.878 -9.451 274 2HB ASN 37 HB1 ASN 37 4.411 5.181 -10.286 275 1HD2 ASN 37 HD21 ASN 37 5.831 2.963 -9.144 276 2HD2 ASN 37 HD22 ASN 37 6.775 3.544 -7.858 277 H GLN 38 HN GLN 38 0.563 6.065 -8.404 278 HA GLN 38 HA GLN 38 -1.175 7.115 -9.655 279 1HB GLN 38 HB2 GLN 38 -0.669 8.264 -11.568 280 2HB GLN 38 HB1 GLN 38 0.978 8.009 -11.015 281 1HG GLN 38 HG2 GLN 38 1.021 7.333 -13.282 282 2HG GLN 38 HG1 GLN 38 0.897 5.813 -12.396 283 1HE2 GLN 38 HE21 GLN 38 -1.684 8.225 -13.116 284 2HE2 GLN 38 HE22 GLN 38 -2.667 7.133 -13.969 285 H GLN 39 HN GLN 39 0.292 4.104 -10.109 286 HA GLN 39 HA GLN 39 -1.846 3.193 -11.978 287 1HB GLN 39 HB2 GLN 39 -0.548 0.973 -11.645 288 2HB GLN 39 HB1 GLN 39 0.277 2.262 -12.514 289 1HG GLN 39 HG2 GLN 39 1.597 2.829 -10.637 290 2HG GLN 39 HG1 GLN 39 0.569 1.922 -9.531 291 1HE2 GLN 39 HE21 GLN 39 0.369 -0.520 -11.099 292 2HE2 GLN 39 HE22 GLN 39 1.907 -1.235 -11.125 293 H ILE 40 HN ILE 40 -3.777 2.857 -10.894 294 HA ILE 40 HA ILE 40 -3.870 2.147 -8.072 295 HB ILE 40 HB ILE 40 -5.901 2.250 -10.319 296 1HG1 ILE 40 HG12 ILE 40 -6.787 4.077 -8.704 297 2HG1 ILE 40 HG11 ILE 40 -5.207 3.960 -7.931 298 1HG2 ILE 40 HG21 ILE 40 -6.089 0.808 -7.821 299 2HG2 ILE 40 HG22 ILE 40 -7.300 0.965 -9.093 300 3HG2 ILE 40 HG23 ILE 40 -7.220 2.162 -7.801 301 1HD1 ILE 40 HD11 ILE 40 -4.076 4.581 -9.959 302 2HD1 ILE 40 HD12 ILE 40 -5.389 5.738 -9.734 303 3HD1 ILE 40 HD13 ILE 40 -5.560 4.427 -10.899 304 H VAL 41 HN VAL 41 -3.405 0.143 -7.342 305 HA VAL 41 HA VAL 41 -3.751 -2.183 -9.183 306 HB VAL 41 HB VAL 41 -2.346 -1.917 -6.527 307 1HG1 VAL 41 HG11 VAL 41 -3.017 -4.202 -7.223 308 2HG1 VAL 41 HG12 VAL 41 -1.263 -4.009 -7.194 309 3HG1 VAL 41 HG13 VAL 41 -2.127 -3.991 -8.730 310 1HG2 VAL 41 HG21 VAL 41 -0.882 -2.115 -9.116 311 2HG2 VAL 41 HG22 VAL 41 -0.445 -1.239 -7.647 312 3HG2 VAL 41 HG23 VAL 41 -1.644 -0.568 -8.752 313 HA PRO 42 HA PRO 42 -6.990 -3.534 -6.634 314 1HB PRO 42 HB2 PRO 42 -6.991 -6.156 -7.372 315 2HB PRO 42 HB1 PRO 42 -7.696 -4.840 -8.313 316 1HG PRO 42 HG2 PRO 42 -5.175 -6.322 -8.727 317 2HG PRO 42 HG1 PRO 42 -6.254 -5.580 -9.920 318 1HD PRO 42 HD2 PRO 42 -3.864 -4.504 -9.028 319 2HD PRO 42 HD1 PRO 42 -5.158 -3.599 -9.841 320 H ARG 43 HN ARG 43 -6.837 -3.921 -4.644 321 HA ARG 43 HA ARG 43 -5.000 -4.381 -2.810 322 1HB ARG 43 HB2 ARG 43 -6.676 -6.021 -1.685 323 2HB ARG 43 HB1 ARG 43 -7.212 -4.386 -2.059 324 1HG ARG 43 HG2 ARG 43 -7.718 -5.923 -4.380 325 2HG ARG 43 HG1 ARG 43 -8.249 -6.899 -3.016 326 1HD ARG 43 HD2 ARG 43 -9.950 -5.462 -2.481 327 2HD ARG 43 HD1 ARG 43 -9.002 -4.025 -2.917 328 HE ARG 43 HE ARG 43 -9.806 -4.234 -5.133 329 1HH1 ARG 43 HH11 ARG 43 -11.771 -6.129 -3.412 330 2HH1 ARG 43 HH12 ARG 43 -12.022 -7.359 -4.606 331 1HH2 ARG 43 HH21 ARG 43 -9.441 -6.267 -6.654 332 2HH2 ARG 43 HH22 ARG 43 -10.698 -7.440 -6.440 333 H GLU 44 HN GLU 44 -6.482 -7.302 -4.207 334 HA GLU 44 HA GLU 44 -4.982 -9.293 -3.133 335 1HB GLU 44 HB2 GLU 44 -6.757 -9.722 -4.610 336 2HB GLU 44 HB1 GLU 44 -6.038 -8.746 -5.892 337 1HG GLU 44 HG2 GLU 44 -4.884 -10.518 -6.688 338 2HG GLU 44 HG1 GLU 44 -4.234 -10.879 -5.087 339 H GLN 45 HN GLN 45 -3.958 -7.359 -5.965 340 HA GLN 45 HA GLN 45 -1.490 -8.647 -6.478 341 1HB GLN 45 HB2 GLN 45 -2.545 -5.847 -6.778 342 2HB GLN 45 HB1 GLN 45 -0.897 -6.225 -7.262 343 1HG GLN 45 HG2 GLN 45 -2.087 -8.223 -8.540 344 2HG GLN 45 HG1 GLN 45 -3.484 -7.145 -8.449 345 1HE2 GLN 45 HE21 GLN 45 -3.587 -6.202 -10.514 346 2HE2 GLN 45 HE22 GLN 45 -2.283 -5.430 -11.280 347 H TRP 46 HN TRP 46 -2.356 -6.309 -3.989 348 HA TRP 46 HA TRP 46 0.026 -5.297 -3.100 349 1HB TRP 46 HB2 TRP 46 -2.266 -6.601 -1.598 350 2HB TRP 46 HB1 TRP 46 -1.037 -5.609 -0.817 351 HD1 TRP 46 HD1 TRP 46 -1.818 -4.378 -4.227 352 HE1 TRP 46 HE1 TRP 46 -3.312 -2.281 -4.114 353 HE3 TRP 46 HE3 TRP 46 -3.203 -4.529 0.693 354 HZ2 TRP 46 HZ2 TRP 46 -4.893 -0.860 -2.186 355 HZ3 TRP 46 HZ3 TRP 46 -4.723 -2.785 1.619 356 HH2 TRP 46 HH2 TRP 46 -5.559 -0.960 0.182 357 H ALA 47 HN ALA 47 -1.057 -8.626 -2.937 358 HA ALA 47 HA ALA 47 1.074 -9.536 -1.157 359 1HB ALA 47 HB1 ALA 47 0.024 -11.706 -1.737 360 2HB ALA 47 HB2 ALA 47 -0.898 -10.897 -3.005 361 3HB ALA 47 HB3 ALA 47 -1.182 -10.491 -1.313 362 H GLN 48 HN GLN 48 0.695 -8.969 -4.528 363 HA GLN 48 HA GLN 48 3.268 -10.385 -5.115 364 1HB GLN 48 HB2 GLN 48 0.765 -9.960 -6.794 365 2HB GLN 48 HB1 GLN 48 2.246 -10.711 -7.392 366 1HG GLN 48 HG2 GLN 48 1.980 -12.612 -6.048 367 2HG GLN 48 HG1 GLN 48 0.922 -11.777 -4.909 368 1HE2 GLN 48 HE21 GLN 48 -1.003 -10.656 -6.587 369 2HE2 GLN 48 HE22 GLN 48 -1.839 -11.886 -7.406 370 H HIS 49 HN HIS 49 2.234 -7.521 -4.377 371 HA HIS 49 HA HIS 49 3.284 -6.021 -6.728 372 1HB HIS 49 HB2 HIS 49 0.963 -5.731 -5.737 373 2HB HIS 49 HB1 HIS 49 1.751 -5.071 -4.305 374 HD1 HIS 49 HD1 HIS 49 0.849 -4.256 -7.822 375 HD2 HIS 49 HD2 HIS 49 3.101 -2.549 -4.757 376 HE1 HIS 49 HE1 HIS 49 1.288 -1.861 -8.508 377 H ILE 50 HN ILE 50 5.525 -6.702 -5.905 378 HA ILE 50 HA ILE 50 6.665 -6.001 -3.451 379 HB ILE 50 HB ILE 50 7.717 -6.080 -6.278 380 1HG1 ILE 50 HG12 ILE 50 6.799 -8.158 -5.171 381 2HG1 ILE 50 HG11 ILE 50 8.490 -8.274 -5.656 382 1HG2 ILE 50 HG21 ILE 50 9.659 -6.414 -4.093 383 2HG2 ILE 50 HG22 ILE 50 9.005 -4.784 -4.206 384 3HG2 ILE 50 HG23 ILE 50 9.803 -5.512 -5.598 385 1HD1 ILE 50 HD11 ILE 50 7.724 -9.027 -3.234 386 2HD1 ILE 50 HD12 ILE 50 7.863 -7.301 -2.896 387 3HD1 ILE 50 HD13 ILE 50 9.264 -8.201 -3.474 388 H VAL 51 HN VAL 51 7.089 -4.130 -2.505 389 HA VAL 51 HA VAL 51 6.555 -1.553 -3.880 390 HB VAL 51 HB VAL 51 7.281 -2.216 -1.002 391 1HG1 VAL 51 HG11 VAL 51 5.355 -0.092 -1.617 392 2HG1 VAL 51 HG12 VAL 51 6.963 0.196 -2.271 393 3HG1 VAL 51 HG13 VAL 51 6.754 -0.066 -0.542 394 1HG2 VAL 51 HG21 VAL 51 4.512 -2.031 -2.219 395 2HG2 VAL 51 HG22 VAL 51 4.932 -2.539 -0.586 396 3HG2 VAL 51 HG23 VAL 51 5.349 -3.557 -1.960 397 H GLN 52 HN GLN 52 8.146 0.050 -4.135 398 HA GLN 52 HA GLN 52 10.983 -0.864 -3.841 399 1HB GLN 52 HB2 GLN 52 9.697 1.373 -5.412 400 2HB GLN 52 HB1 GLN 52 11.378 0.858 -5.534 401 1HG GLN 52 HG2 GLN 52 10.472 -0.335 -7.309 402 2HG GLN 52 HG1 GLN 52 10.243 -1.510 -6.011 403 1HE2 GLN 52 HE21 GLN 52 8.235 -2.435 -6.645 404 2HE2 GLN 52 HE22 GLN 52 6.805 -1.538 -6.815 405 H ASP 53 HN ASP 53 12.561 0.674 -3.045 406 HA ASP 53 HA ASP 53 11.690 2.329 -0.861 407 1HB ASP 53 HB2 ASP 53 13.870 1.614 -0.676 408 2HB ASP 53 HB1 ASP 53 14.182 1.799 -2.400 409 H GLY 54 HN GLY 54 10.650 4.116 -1.090 410 1HA GLY 54 HA2 GLY 54 10.511 6.453 -1.820 411 2HA GLY 54 HA1 GLY 54 11.177 5.939 -3.379 412 H ASP 55 HN ASP 55 9.157 3.595 -2.120 413 HA ASP 55 HA ASP 55 7.292 3.563 -4.196 414 1HB ASP 55 HB2 ASP 55 7.691 1.754 -2.669 415 2HB ASP 55 HB1 ASP 55 7.073 2.700 -1.317 416 H GLN 56 HN GLN 56 5.506 4.792 -4.674 417 HA GLN 56 HA GLN 56 4.460 6.713 -2.617 418 1HB GLN 56 HB2 GLN 56 5.172 7.873 -4.535 419 2HB GLN 56 HB1 GLN 56 4.663 6.586 -5.623 420 1HG GLN 56 HG2 GLN 56 2.923 7.978 -6.012 421 2HG GLN 56 HG1 GLN 56 2.268 7.271 -4.551 422 1HE2 GLN 56 HE21 GLN 56 1.228 9.662 -4.843 423 2HE2 GLN 56 HE22 GLN 56 2.006 10.862 -3.931 424 H ILE 57 HN ILE 57 2.185 6.693 -2.182 425 HA ILE 57 HA ILE 57 0.647 4.442 -3.430 426 HB ILE 57 HB ILE 57 1.087 5.121 -0.538 427 1HG1 ILE 57 HG12 ILE 57 1.668 2.610 -2.110 428 2HG1 ILE 57 HG11 ILE 57 2.874 3.822 -1.663 429 1HG2 ILE 57 HG21 ILE 57 -0.297 2.879 -0.375 430 2HG2 ILE 57 HG22 ILE 57 -0.944 3.434 -1.919 431 3HG2 ILE 57 HG23 ILE 57 -1.117 4.436 -0.480 432 1HD1 ILE 57 HD11 ILE 57 1.555 3.335 0.723 433 2HD1 ILE 57 HD12 ILE 57 3.117 2.672 0.254 434 3HD1 ILE 57 HD13 ILE 57 1.648 1.737 -0.020 435 H LEU 58 HN LEU 58 -1.569 4.705 -3.517 436 HA LEU 58 HA LEU 58 -2.716 7.256 -2.480 437 1HB LEU 58 HB2 LEU 58 -3.404 5.620 -4.910 438 2HB LEU 58 HB1 LEU 58 -4.364 6.981 -4.362 439 HG LEU 58 HG LEU 58 -1.523 7.002 -5.392 440 1HD1 LEU 58 HD11 LEU 58 -2.658 7.593 -7.256 441 2HD1 LEU 58 HD12 LEU 58 -2.978 9.123 -6.441 442 3HD1 LEU 58 HD13 LEU 58 -4.161 7.819 -6.361 443 1HD2 LEU 58 HD21 LEU 58 -1.488 8.355 -3.379 444 2HD2 LEU 58 HD22 LEU 58 -3.003 9.140 -3.825 445 3HD2 LEU 58 HD23 LEU 58 -1.541 9.447 -4.762 446 H LEU 59 HN LEU 59 -4.581 6.926 -1.110 447 HA LEU 59 HA LEU 59 -5.125 4.027 -0.582 448 1HB LEU 59 HB2 LEU 59 -4.142 5.368 1.227 449 2HB LEU 59 HB1 LEU 59 -5.501 6.492 1.138 450 HG LEU 59 HG LEU 59 -7.060 4.698 1.726 451 1HD1 LEU 59 HD11 LEU 59 -4.549 3.020 1.603 452 2HD1 LEU 59 HD12 LEU 59 -6.066 2.775 0.737 453 3HD1 LEU 59 HD13 LEU 59 -5.986 2.488 2.474 454 1HD2 LEU 59 HD21 LEU 59 -5.290 5.911 3.431 455 2HD2 LEU 59 HD22 LEU 59 -5.003 4.208 3.786 456 3HD2 LEU 59 HD23 LEU 59 -6.623 4.882 3.954 457 H PHE 60 HN PHE 60 -7.091 3.203 -0.888 458 HA PHE 60 HA PHE 60 -9.474 5.003 -1.079 459 1HB PHE 60 HB2 PHE 60 -8.944 2.493 -2.713 460 2HB PHE 60 HB1 PHE 60 -10.239 3.667 -2.958 461 HD1 PHE 60 HD1 PHE 60 -6.878 2.767 -3.801 462 HD2 PHE 60 HD2 PHE 60 -9.553 6.104 -3.471 463 HE1 PHE 60 HE1 PHE 60 -5.382 4.101 -5.238 464 HE2 PHE 60 HE2 PHE 60 -8.058 7.447 -4.921 465 HZ PHE 60 HZ PHE 60 -5.967 6.446 -5.806 466 H GLN 61 HN GLN 61 -10.662 4.429 0.740 467 HA GLN 61 HA GLN 61 -10.607 1.533 1.511 468 1HB GLN 61 HB2 GLN 61 -11.016 2.574 3.842 469 2HB GLN 61 HB1 GLN 61 -9.415 2.779 3.129 470 1HG GLN 61 HG2 GLN 61 -9.798 5.031 2.593 471 2HG GLN 61 HG1 GLN 61 -11.552 4.849 2.659 472 1HE2 GLN 61 HE21 GLN 61 -9.720 6.734 4.205 473 2HE2 GLN 61 HE22 GLN 61 -10.072 6.440 5.839 474 H VAL 62 HN VAL 62 -12.527 0.515 1.548 475 HA VAL 62 HA VAL 62 -15.028 2.145 1.835 476 HB VAL 62 HB VAL 62 -14.694 1.307 -0.486 477 1HG1 VAL 62 HG11 VAL 62 -13.351 -0.728 0.431 478 2HG1 VAL 62 HG12 VAL 62 -14.393 -0.984 -0.969 479 3HG1 VAL 62 HG13 VAL 62 -14.932 -1.483 0.634 480 1HG2 VAL 62 HG21 VAL 62 -16.883 0.431 -0.722 481 2HG2 VAL 62 HG22 VAL 62 -16.971 1.348 0.783 482 3HG2 VAL 62 HG23 VAL 62 -16.804 -0.406 0.828 483 H ILE 63 HN ILE 63 -15.974 1.574 3.727 484 HA ILE 63 HA ILE 63 -15.576 -1.208 4.762 485 HB ILE 63 HB ILE 63 -16.298 1.308 6.292 486 1HG1 ILE 63 HG12 ILE 63 -14.194 1.996 5.619 487 2HG1 ILE 63 HG11 ILE 63 -13.745 1.027 7.015 488 1HG2 ILE 63 HG21 ILE 63 -16.778 -0.787 7.432 489 2HG2 ILE 63 HG22 ILE 63 -15.409 0.009 8.210 490 3HG2 ILE 63 HG23 ILE 63 -15.136 -1.358 7.130 491 1HD1 ILE 63 HD11 ILE 63 -12.378 -0.115 5.627 492 2HD1 ILE 63 HD12 ILE 63 -13.098 0.618 4.197 493 3HD1 ILE 63 HD13 ILE 63 -13.822 -0.820 4.913 494 H ALA 64 HN ALA 64 -17.424 -2.094 3.771 495 HA ALA 64 HA ALA 64 -19.994 -0.753 4.467 496 1HB ALA 64 HB1 ALA 64 -18.808 -1.891 2.035 497 2HB ALA 64 HB2 ALA 64 -20.038 -0.639 2.208 498 3HB ALA 64 HB3 ALA 64 -20.495 -2.341 2.294 499 H GLY 65 HN GLY 65 -20.822 -1.916 6.200 500 1HA GLY 65 HA2 GLY 65 -21.853 -4.526 5.876 501 2HA GLY 65 HA1 GLY 65 -20.300 -4.686 6.694 502 H GLY 66 HN GLY 66 -20.401 -2.268 8.209 503 1HA GLY 66 HA2 GLY 66 -22.134 -1.254 9.776 504 2HA GLY 66 HA1 GLY 66 -22.649 -2.914 10.074 Start of MODEL 15 1 1H MET 1 HT1 MET 1 15.071 4.224 2.167 2 2H MET 1 HT2 MET 1 15.665 3.134 1.008 3 3H MET 1 HT3 MET 1 15.002 2.556 2.462 4 HA MET 1 HA MET 1 13.661 3.349 0.021 5 1HB MET 1 HB2 MET 1 13.837 1.183 1.624 6 2HB MET 1 HB1 MET 1 12.400 1.943 2.306 7 1HG MET 1 HG2 MET 1 12.650 1.594 -0.658 8 2HG MET 1 HG1 MET 1 12.139 0.261 0.354 9 1HE MET 1 HE1 MET 1 9.000 1.374 -1.395 10 2HE MET 1 HE2 MET 1 9.383 0.008 -0.353 11 3HE MET 1 HE3 MET 1 10.554 0.545 -1.552 12 H GLN 2 HN GLN 2 11.753 4.540 -0.047 13 HA GLN 2 HA GLN 2 10.634 5.624 2.458 14 1HB GLN 2 HB2 GLN 2 12.387 7.206 1.831 15 2HB GLN 2 HB1 GLN 2 11.749 7.282 0.188 16 1HG GLN 2 HG2 GLN 2 10.177 8.783 0.773 17 2HG GLN 2 HG1 GLN 2 9.685 7.815 2.159 18 1HE2 GLN 2 HE21 GLN 2 12.111 10.243 1.116 19 2HE2 GLN 2 HE22 GLN 2 12.455 10.801 2.683 20 H ILE 3 HN ILE 3 8.535 6.321 2.208 21 HA ILE 3 HA ILE 3 7.391 5.904 -0.460 22 HB ILE 3 HB ILE 3 6.212 4.077 0.248 23 1HG1 ILE 3 HG12 ILE 3 6.158 5.524 2.844 24 2HG1 ILE 3 HG11 ILE 3 4.834 4.776 1.966 25 1HG2 ILE 3 HG21 ILE 3 8.652 3.603 0.581 26 2HG2 ILE 3 HG22 ILE 3 7.644 2.658 1.669 27 3HG2 ILE 3 HG23 ILE 3 8.487 4.084 2.269 28 1HD1 ILE 3 HD11 ILE 3 5.384 3.556 4.073 29 2HD1 ILE 3 HD12 ILE 3 7.003 3.254 3.449 30 3HD1 ILE 3 HD13 ILE 3 5.602 2.547 2.642 31 H LEU 4 HN LEU 4 4.928 6.288 -0.266 32 HA LEU 4 HA LEU 4 4.412 8.471 1.711 33 1HB LEU 4 HB2 LEU 4 4.735 9.315 -0.599 34 2HB LEU 4 HB1 LEU 4 3.472 8.216 -1.161 35 HG LEU 4 HG LEU 4 2.742 10.659 -0.625 36 1HD1 LEU 4 HD11 LEU 4 1.136 8.794 1.007 37 2HD1 LEU 4 HD12 LEU 4 1.443 8.292 -0.654 38 3HD1 LEU 4 HD13 LEU 4 0.649 9.831 -0.336 39 1HD2 LEU 4 HD21 LEU 4 2.621 11.318 1.587 40 2HD2 LEU 4 HD22 LEU 4 4.107 10.376 1.623 41 3HD2 LEU 4 HD23 LEU 4 2.602 9.658 2.182 42 H PHE 5 HN PHE 5 3.062 7.409 3.141 43 HA PHE 5 HA PHE 5 0.977 5.626 1.983 44 1HB PHE 5 HB2 PHE 5 2.523 4.717 3.692 45 2HB PHE 5 HB1 PHE 5 2.061 6.002 4.803 46 HD1 PHE 5 HD1 PHE 5 -0.064 5.963 5.969 47 HD2 PHE 5 HD2 PHE 5 0.922 2.946 3.084 48 HE1 PHE 5 HE1 PHE 5 -1.974 4.589 6.752 49 HE2 PHE 5 HE2 PHE 5 -0.989 1.573 3.860 50 HZ PHE 5 HZ PHE 5 -2.437 2.395 5.697 51 H ASN 6 HN ASN 6 -0.709 7.094 1.475 52 HA ASN 6 HA ASN 6 -2.469 8.583 1.871 53 1HB ASN 6 HB2 ASN 6 -2.564 6.909 3.877 54 2HB ASN 6 HB1 ASN 6 -1.900 8.248 4.813 55 1HD2 ASN 6 HD21 ASN 6 -4.455 7.964 2.266 56 2HD2 ASN 6 HD22 ASN 6 -5.614 8.852 3.132 57 H ASP 7 HN ASP 7 -0.363 9.830 1.142 58 HA ASP 7 HA ASP 7 0.785 11.885 1.152 59 1HB ASP 7 HB2 ASP 7 -1.372 12.808 1.301 60 2HB ASP 7 HB1 ASP 7 -1.553 12.304 2.980 61 H GLN 8 HN GLN 8 1.157 9.687 3.320 62 HA GLN 8 HA GLN 8 2.622 11.447 5.242 63 1HB GLN 8 HB2 GLN 8 1.692 8.575 5.537 64 2HB GLN 8 HB1 GLN 8 2.377 9.584 6.810 65 1HG GLN 8 HG2 GLN 8 0.323 11.153 5.840 66 2HG GLN 8 HG1 GLN 8 -0.357 9.527 5.752 67 1HE2 GLN 8 HE21 GLN 8 -1.785 9.829 7.598 68 2HE2 GLN 8 HE22 GLN 8 -1.184 9.983 9.179 69 H ALA 9 HN ALA 9 4.813 11.432 4.738 70 HA ALA 9 HA ALA 9 5.925 9.464 2.942 71 1HB ALA 9 HB1 ALA 9 7.501 11.050 2.818 72 2HB ALA 9 HB2 ALA 9 7.865 10.898 4.538 73 3HB ALA 9 HB3 ALA 9 6.571 11.970 4.000 74 H MET 10 HN MET 10 7.369 7.781 3.408 75 HA MET 10 HA MET 10 7.740 6.972 6.277 76 1HB MET 10 HB2 MET 10 5.752 5.983 4.686 77 2HB MET 10 HB1 MET 10 7.081 4.896 4.310 78 1HG MET 10 HG2 MET 10 6.187 3.793 6.103 79 2HG MET 10 HG1 MET 10 7.359 4.819 6.922 80 1HE MET 10 HE1 MET 10 3.903 4.150 5.812 81 2HE MET 10 HE2 MET 10 3.832 5.829 5.289 82 3HE MET 10 HE3 MET 10 2.836 5.293 6.638 83 H GLN 11 HN GLN 11 8.894 4.722 6.151 84 HA GLN 11 HA GLN 11 10.803 4.423 3.941 85 1HB GLN 11 HB2 GLN 11 12.143 4.094 6.475 86 2HB GLN 11 HB1 GLN 11 12.630 5.048 5.084 87 1HG GLN 11 HG2 GLN 11 11.380 6.949 5.826 88 2HG GLN 11 HG1 GLN 11 10.532 5.999 7.045 89 1HE2 GLN 11 HE21 GLN 11 13.542 7.669 6.323 90 2HE2 GLN 11 HE22 GLN 11 14.235 7.469 7.861 91 H CYS 12 HN CYS 12 10.675 2.343 3.508 92 HA CYS 12 HA CYS 12 10.345 0.335 5.704 93 1HB CYS 12 HB2 CYS 12 8.497 -0.671 4.484 94 2HB CYS 12 HB1 CYS 12 8.150 1.042 4.727 95 HG CYS 12 HG CYS 12 7.747 0.657 2.212 96 H ALA 13 HN ALA 13 10.027 -1.883 4.167 97 HA ALA 13 HA ALA 13 12.698 -2.385 3.239 98 1HB ALA 13 HB1 ALA 13 12.029 -4.523 3.614 99 2HB ALA 13 HB2 ALA 13 10.605 -4.328 2.599 100 3HB ALA 13 HB3 ALA 13 10.565 -3.796 4.275 101 H ALA 14 HN ALA 14 13.315 -1.582 1.261 102 HA ALA 14 HA ALA 14 11.535 -1.039 -0.922 103 1HB ALA 14 HB1 ALA 14 14.116 -0.489 -0.269 104 2HB ALA 14 HB2 ALA 14 13.456 -0.269 -1.891 105 3HB ALA 14 HB3 ALA 14 14.355 -1.735 -1.495 106 H GLY 15 HN GLY 15 10.976 -2.283 -2.658 107 1HA GLY 15 HA2 GLY 15 10.878 -4.142 -4.102 108 2HA GLY 15 HA1 GLY 15 12.172 -4.880 -3.164 109 H GLN 16 HN GLN 16 9.925 -3.773 -1.009 110 HA GLN 16 HA GLN 16 8.827 -6.493 -0.606 111 1HB GLN 16 HB2 GLN 16 8.879 -5.864 1.578 112 2HB GLN 16 HB1 GLN 16 9.902 -4.568 0.989 113 1HG GLN 16 HG2 GLN 16 7.747 -3.220 0.647 114 2HG GLN 16 HG1 GLN 16 6.943 -4.465 1.600 115 1HE2 GLN 16 HE21 GLN 16 8.081 -4.898 3.828 116 2HE2 GLN 16 HE22 GLN 16 8.700 -3.539 4.633 117 H THR 17 HN THR 17 6.674 -6.934 -1.249 118 HA THR 17 HA THR 17 5.138 -5.120 -2.747 119 HB THR 17 HB THR 17 3.414 -6.677 -2.610 120 HG1 THR 17 HG1 THR 17 2.983 -7.839 -0.785 121 1HG2 THR 17 HG21 THR 17 4.482 -8.545 -3.221 122 2HG2 THR 17 HG22 THR 17 5.225 -8.728 -1.632 123 3HG2 THR 17 HG23 THR 17 5.971 -7.681 -2.842 124 H VAL 18 HN VAL 18 2.702 -5.101 -1.823 125 HA VAL 18 HA VAL 18 2.501 -2.890 0.075 126 HB VAL 18 HB VAL 18 0.596 -4.806 -1.190 127 1HG1 VAL 18 HG11 VAL 18 0.245 -2.529 0.540 128 2HG1 VAL 18 HG12 VAL 18 -0.912 -3.768 0.058 129 3HG1 VAL 18 HG13 VAL 18 -0.647 -2.363 -0.972 130 1HG2 VAL 18 HG21 VAL 18 0.467 -3.319 -3.042 131 2HG2 VAL 18 HG22 VAL 18 2.177 -3.598 -2.723 132 3HG2 VAL 18 HG23 VAL 18 1.415 -2.103 -2.188 133 H HIS 19 HN HIS 19 1.183 -6.195 -0.175 134 HA HIS 19 HA HIS 19 0.206 -6.540 2.452 135 1HB HIS 19 HB2 HIS 19 0.098 -8.076 0.399 136 2HB HIS 19 HB1 HIS 19 1.783 -8.488 0.713 137 HD1 HIS 19 HD1 HIS 19 -1.654 -9.324 1.747 138 HD2 HIS 19 HD2 HIS 19 2.173 -9.789 3.332 139 HE1 HIS 19 HE1 HIS 19 -1.854 -11.019 3.619 140 H GLU 20 HN GLU 20 3.316 -6.423 0.967 141 HA GLU 20 HA GLU 20 4.818 -7.345 3.350 142 1HB GLU 20 HB2 GLU 20 5.448 -6.275 0.602 143 2HB GLU 20 HB1 GLU 20 6.726 -6.567 1.780 144 1HG GLU 20 HG2 GLU 20 4.718 -8.628 0.817 145 2HG GLU 20 HG1 GLU 20 6.402 -8.525 0.302 146 H LEU 21 HN LEU 21 4.006 -4.293 1.709 147 HA LEU 21 HA LEU 21 5.706 -2.696 3.471 148 1HB LEU 21 HB2 LEU 21 4.742 -2.337 1.040 149 2HB LEU 21 HB1 LEU 21 3.345 -1.695 1.884 150 HG LEU 21 HG LEU 21 5.724 -0.330 1.207 151 1HD1 LEU 21 HD11 LEU 21 4.315 1.235 3.044 152 2HD1 LEU 21 HD12 LEU 21 3.107 0.158 2.344 153 3HD1 LEU 21 HD13 LEU 21 4.083 1.188 1.297 154 1HD2 LEU 21 HD21 LEU 21 6.917 -1.065 3.143 155 2HD2 LEU 21 HD22 LEU 21 5.506 -0.871 4.178 156 3HD2 LEU 21 HD23 LEU 21 6.327 0.551 3.533 157 H LEU 22 HN LEU 22 2.162 -2.989 3.101 158 HA LEU 22 HA LEU 22 1.266 -1.519 5.297 159 1HB LEU 22 HB2 LEU 22 0.410 -4.046 3.896 160 2HB LEU 22 HB1 LEU 22 -0.535 -3.430 5.252 161 HG LEU 22 HG LEU 22 0.243 -1.560 3.040 162 1HD1 LEU 22 HD11 LEU 22 -0.747 -3.535 1.917 163 2HD1 LEU 22 HD12 LEU 22 -1.845 -2.157 1.857 164 3HD1 LEU 22 HD13 LEU 22 -2.128 -3.460 3.011 165 1HD2 LEU 22 HD21 LEU 22 -0.893 -0.307 4.547 166 2HD2 LEU 22 HD22 LEU 22 -1.572 -1.727 5.341 167 3HD2 LEU 22 HD23 LEU 22 -2.331 -1.085 3.884 168 H GLU 23 HN GLU 23 1.903 -5.015 5.233 169 HA GLU 23 HA GLU 23 1.578 -5.568 7.988 170 1HB GLU 23 HB2 GLU 23 1.845 -7.192 6.134 171 2HB GLU 23 HB1 GLU 23 3.546 -6.746 6.008 172 1HG GLU 23 HG2 GLU 23 3.611 -8.667 7.360 173 2HG GLU 23 HG1 GLU 23 3.651 -7.354 8.538 174 H GLN 24 HN GLN 24 4.588 -4.618 6.260 175 HA GLN 24 HA GLN 24 6.311 -4.694 8.539 176 1HB GLN 24 HB2 GLN 24 6.872 -4.465 6.061 177 2HB GLN 24 HB1 GLN 24 6.396 -2.773 6.189 178 1HG GLN 24 HG2 GLN 24 8.567 -4.102 7.837 179 2HG GLN 24 HG1 GLN 24 8.844 -3.059 6.444 180 1HE2 GLN 24 HE21 GLN 24 8.409 -3.064 9.843 181 2HE2 GLN 24 HE22 GLN 24 8.190 -1.394 10.051 182 H LEU 25 HN LEU 25 4.310 -2.100 7.162 183 HA LEU 25 HA LEU 25 5.027 -0.072 9.067 184 1HB LEU 25 HB2 LEU 25 2.591 -0.525 7.309 185 2HB LEU 25 HB1 LEU 25 3.040 1.018 8.042 186 HG LEU 25 HG LEU 25 5.019 -0.463 6.325 187 1HD1 LEU 25 HD11 LEU 25 3.676 1.582 4.815 188 2HD1 LEU 25 HD12 LEU 25 2.481 0.426 5.406 189 3HD1 LEU 25 HD13 LEU 25 3.843 -0.132 4.438 190 1HD2 LEU 25 HD21 LEU 25 5.539 1.621 7.751 191 2HD2 LEU 25 HD22 LEU 25 4.549 2.513 6.593 192 3HD2 LEU 25 HD23 LEU 25 6.007 1.679 6.051 193 H ASP 26 HN ASP 26 2.937 -2.812 9.118 194 HA ASP 26 HA ASP 26 1.965 -3.822 11.067 195 1HB ASP 26 HB2 ASP 26 3.230 -1.995 12.366 196 2HB ASP 26 HB1 ASP 26 1.775 -1.023 12.177 197 H GLN 27 HN GLN 27 0.858 -2.766 8.623 198 HA GLN 27 HA GLN 27 -1.929 -2.114 9.527 199 1HB GLN 27 HB2 GLN 27 -0.668 -1.293 6.906 200 2HB GLN 27 HB1 GLN 27 -2.050 -0.569 7.727 201 1HG GLN 27 HG2 GLN 27 0.092 -0.392 9.557 202 2HG GLN 27 HG1 GLN 27 0.765 0.069 7.994 203 1HE2 GLN 27 HE21 GLN 27 0.345 2.194 7.329 204 2HE2 GLN 27 HE22 GLN 27 -0.852 3.197 7.997 205 H ARG 28 HN ARG 28 -3.597 -3.215 8.286 206 HA ARG 28 HA ARG 28 -2.556 -5.329 6.449 207 1HB ARG 28 HB2 ARG 28 -4.694 -5.365 8.600 208 2HB ARG 28 HB1 ARG 28 -4.518 -6.656 7.410 209 1HG ARG 28 HG2 ARG 28 -2.125 -5.755 8.993 210 2HG ARG 28 HG1 ARG 28 -3.283 -6.872 9.716 211 1HD ARG 28 HD2 ARG 28 -2.048 -7.364 6.990 212 2HD ARG 28 HD1 ARG 28 -1.343 -7.992 8.493 213 HE ARG 28 HE ARG 28 -4.214 -8.521 8.190 214 1HH1 ARG 28 HH11 ARG 28 -1.252 -9.814 8.995 215 2HH1 ARG 28 HH12 ARG 28 -1.547 -11.385 8.328 216 1HH2 ARG 28 HH21 ARG 28 -4.492 -10.456 6.751 217 2HH2 ARG 28 HH22 ARG 28 -3.379 -11.748 7.056 218 H GLN 29 HN GLN 29 -5.808 -5.642 6.569 219 HA GLN 29 HA GLN 29 -6.374 -3.515 4.555 220 1HB GLN 29 HB2 GLN 29 -7.124 -6.421 4.187 221 2HB GLN 29 HB1 GLN 29 -7.107 -5.141 2.973 222 1HG GLN 29 HG2 GLN 29 -5.089 -6.085 2.451 223 2HG GLN 29 HG1 GLN 29 -4.528 -5.042 3.755 224 1HE2 GLN 29 HE21 GLN 29 -5.762 -8.375 3.176 225 2HE2 GLN 29 HE22 GLN 29 -4.905 -9.078 4.460 226 H ALA 30 HN ALA 30 -8.035 -6.399 5.916 227 HA ALA 30 HA ALA 30 -10.128 -6.543 7.043 228 1HB ALA 30 HB1 ALA 30 -8.873 -4.059 7.739 229 2HB ALA 30 HB2 ALA 30 -10.022 -5.005 8.688 230 3HB ALA 30 HB3 ALA 30 -10.605 -3.786 7.554 231 H GLY 31 HN GLY 31 -9.606 -5.278 4.133 232 1HA GLY 31 HA2 GLY 31 -11.525 -5.359 2.551 233 2HA GLY 31 HA1 GLY 31 -12.453 -4.492 3.780 234 H ALA 32 HN ALA 32 -9.177 -3.587 3.511 235 HA ALA 32 HA ALA 32 -9.900 -0.878 2.675 236 1HB ALA 32 HB1 ALA 32 -7.223 -2.220 3.227 237 2HB ALA 32 HB2 ALA 32 -8.242 -1.472 4.456 238 3HB ALA 32 HB3 ALA 32 -7.518 -0.482 3.188 239 H ALA 33 HN ALA 33 -8.430 0.214 1.041 240 HA ALA 33 HA ALA 33 -7.366 -1.511 -1.129 241 1HB ALA 33 HB1 ALA 33 -8.878 0.414 -2.498 242 2HB ALA 33 HB2 ALA 33 -9.946 -0.138 -1.207 243 3HB ALA 33 HB3 ALA 33 -9.270 -1.299 -2.350 244 H LEU 34 HN LEU 34 -5.864 -0.171 -2.507 245 HA LEU 34 HA LEU 34 -5.474 2.568 -1.452 246 1HB LEU 34 HB2 LEU 34 -3.855 1.833 -0.063 247 2HB LEU 34 HB1 LEU 34 -4.067 0.200 -0.666 248 HG LEU 34 HG LEU 34 -2.344 2.279 -2.041 249 1HD1 LEU 34 HD11 LEU 34 -1.214 -0.071 -0.566 250 2HD1 LEU 34 HD12 LEU 34 -1.707 1.340 0.370 251 3HD1 LEU 34 HD13 LEU 34 -0.485 1.502 -0.891 252 1HD2 LEU 34 HD21 LEU 34 -3.411 -0.087 -2.995 253 2HD2 LEU 34 HD22 LEU 34 -1.819 -0.585 -2.423 254 3HD2 LEU 34 HD23 LEU 34 -1.964 0.699 -3.622 255 H ALA 35 HN ALA 35 -3.931 3.885 -2.739 256 HA ALA 35 HA ALA 35 -3.596 2.789 -5.511 257 1HB ALA 35 HB1 ALA 35 -4.583 4.682 -6.306 258 2HB ALA 35 HB2 ALA 35 -3.711 5.707 -5.170 259 3HB ALA 35 HB3 ALA 35 -5.183 4.883 -4.662 260 H ILE 36 HN ILE 36 -1.484 2.485 -5.954 261 HA ILE 36 HA ILE 36 0.503 4.105 -4.460 262 HB ILE 36 HB ILE 36 0.933 1.767 -6.339 263 1HG1 ILE 36 HG12 ILE 36 0.170 1.898 -3.424 264 2HG1 ILE 36 HG11 ILE 36 -0.481 0.858 -4.686 265 1HG2 ILE 36 HG21 ILE 36 2.674 2.368 -4.003 266 2HG2 ILE 36 HG22 ILE 36 2.745 3.505 -5.349 267 3HG2 ILE 36 HG23 ILE 36 3.113 1.801 -5.615 268 1HD1 ILE 36 HD11 ILE 36 2.267 0.247 -4.559 269 2HD1 ILE 36 HD12 ILE 36 0.929 -0.753 -3.998 270 3HD1 ILE 36 HD13 ILE 36 1.724 0.360 -2.885 271 H ASN 37 HN ASN 37 1.757 5.635 -5.500 272 HA ASN 37 HA ASN 37 2.448 7.091 -7.223 273 1HB ASN 37 HB2 ASN 37 1.970 4.614 -8.912 274 2HB ASN 37 HB1 ASN 37 3.050 5.955 -9.290 275 1HD2 ASN 37 HD21 ASN 37 3.346 2.874 -8.436 276 2HD2 ASN 37 HD22 ASN 37 4.652 2.946 -7.354 277 H GLN 38 HN GLN 38 -0.562 6.351 -6.716 278 HA GLN 38 HA GLN 38 -2.496 7.573 -7.394 279 1HB GLN 38 HB2 GLN 38 -2.344 9.114 -9.074 280 2HB GLN 38 HB1 GLN 38 -0.621 8.814 -8.901 281 1HG GLN 38 HG2 GLN 38 -0.822 7.055 -10.711 282 2HG GLN 38 HG1 GLN 38 -2.496 7.554 -10.924 283 1HE2 GLN 38 HE21 GLN 38 -2.777 9.086 -12.533 284 2HE2 GLN 38 HE22 GLN 38 -1.611 10.220 -13.019 285 H GLN 39 HN GLN 39 -1.141 4.761 -8.620 286 HA GLN 39 HA GLN 39 -3.534 4.177 -10.293 287 1HB GLN 39 HB2 GLN 39 -2.253 2.006 -10.688 288 2HB GLN 39 HB1 GLN 39 -1.451 3.462 -11.263 289 1HG GLN 39 HG2 GLN 39 0.157 3.397 -9.597 290 2HG GLN 39 HG1 GLN 39 -0.873 2.483 -8.492 291 1HE2 GLN 39 HE21 GLN 39 1.102 2.187 -11.453 292 2HE2 GLN 39 HE22 GLN 39 1.300 0.506 -11.354 293 H ILE 40 HN ILE 40 -5.276 3.514 -9.110 294 HA ILE 40 HA ILE 40 -5.017 2.405 -6.448 295 HB ILE 40 HB ILE 40 -7.274 2.627 -8.447 296 1HG1 ILE 40 HG12 ILE 40 -8.082 4.188 -6.538 297 2HG1 ILE 40 HG11 ILE 40 -6.428 4.092 -5.945 298 1HG2 ILE 40 HG21 ILE 40 -7.125 1.242 -5.790 299 2HG2 ILE 40 HG22 ILE 40 -8.032 0.791 -7.234 300 3HG2 ILE 40 HG23 ILE 40 -8.608 2.103 -6.203 301 1HD1 ILE 40 HD11 ILE 40 -7.097 4.876 -8.785 302 2HD1 ILE 40 HD12 ILE 40 -5.551 5.044 -7.953 303 3HD1 ILE 40 HD13 ILE 40 -6.919 6.053 -7.483 304 H VAL 41 HN VAL 41 -4.289 0.401 -6.067 305 HA VAL 41 HA VAL 41 -4.646 -1.729 -8.127 306 HB VAL 41 HB VAL 41 -3.011 -1.629 -5.593 307 1HG1 VAL 41 HG11 VAL 41 -1.901 -3.565 -6.455 308 2HG1 VAL 41 HG12 VAL 41 -2.674 -3.390 -8.031 309 3HG1 VAL 41 HG13 VAL 41 -3.629 -3.870 -6.629 310 1HG2 VAL 41 HG21 VAL 41 -1.420 -0.466 -6.722 311 2HG2 VAL 41 HG22 VAL 41 -2.690 -0.092 -7.887 312 3HG2 VAL 41 HG23 VAL 41 -1.614 -1.461 -8.165 313 HA PRO 42 HA PRO 42 -7.577 -3.609 -5.526 314 1HB PRO 42 HB2 PRO 42 -7.378 -6.144 -6.489 315 2HB PRO 42 HB1 PRO 42 -8.246 -4.828 -7.285 316 1HG PRO 42 HG2 PRO 42 -5.575 -5.973 -7.887 317 2HG PRO 42 HG1 PRO 42 -6.812 -5.362 -8.999 318 1HD PRO 42 HD2 PRO 42 -4.586 -3.949 -8.267 319 2HD PRO 42 HD1 PRO 42 -6.107 -3.204 -8.804 320 H ARG 43 HN ARG 43 -7.242 -4.081 -3.602 321 HA ARG 43 HA ARG 43 -5.277 -4.579 -1.907 322 1HB ARG 43 HB2 ARG 43 -6.843 -6.380 -0.844 323 2HB ARG 43 HB1 ARG 43 -7.430 -4.732 -1.027 324 1HG ARG 43 HG2 ARG 43 -8.410 -5.505 -3.275 325 2HG ARG 43 HG1 ARG 43 -8.081 -7.145 -2.719 326 1HD ARG 43 HD2 ARG 43 -9.806 -5.099 -1.282 327 2HD ARG 43 HD1 ARG 43 -10.383 -6.547 -2.135 328 HE ARG 43 HE ARG 43 -8.799 -6.551 0.384 329 1HH1 ARG 43 HH21 ARG 43 -9.464 -8.434 -2.349 330 2HH1 ARG 43 HH22 ARG 43 -9.949 -9.841 -1.464 331 1HH2 ARG 43 HH11 ARG 43 -9.838 -8.267 1.621 332 2HH2 ARG 43 HH12 ARG 43 -10.155 -9.747 0.781 333 H GLU 44 HN GLU 44 -6.636 -7.268 -3.744 334 HA GLU 44 HA GLU 44 -5.115 -9.382 -2.826 335 1HB GLU 44 HB2 GLU 44 -6.994 -9.483 -4.331 336 2HB GLU 44 HB1 GLU 44 -6.088 -8.620 -5.574 337 1HG GLU 44 HG2 GLU 44 -5.374 -10.619 -6.350 338 2HG GLU 44 HG1 GLU 44 -4.469 -10.811 -4.848 339 H GLN 45 HN GLN 45 -4.225 -7.141 -5.461 340 HA GLN 45 HA GLN 45 -1.739 -8.364 -6.115 341 1HB GLN 45 HB2 GLN 45 -2.854 -5.560 -6.335 342 2HB GLN 45 HB1 GLN 45 -1.272 -5.983 -6.991 343 1HG GLN 45 HG2 GLN 45 -3.776 -7.534 -7.673 344 2HG GLN 45 HG1 GLN 45 -3.233 -6.148 -8.619 345 1HE2 GLN 45 HE21 GLN 45 -1.122 -6.339 -9.732 346 2HE2 GLN 45 HE22 GLN 45 -0.458 -7.868 -10.053 347 H TRP 46 HN TRP 46 -2.575 -6.172 -3.481 348 HA TRP 46 HA TRP 46 -0.207 -5.040 -2.702 349 1HB TRP 46 HB2 TRP 46 -2.248 -6.615 -1.109 350 2HB TRP 46 HB1 TRP 46 -1.037 -5.577 -0.368 351 HD1 TRP 46 HD1 TRP 46 -2.178 -4.087 -3.556 352 HE1 TRP 46 HE1 TRP 46 -3.873 -2.200 -3.097 353 HE3 TRP 46 HE3 TRP 46 -3.190 -4.985 1.366 354 HZ2 TRP 46 HZ2 TRP 46 -5.455 -1.220 -0.919 355 HZ3 TRP 46 HZ3 TRP 46 -4.804 -3.565 2.601 356 HH2 TRP 46 HH2 TRP 46 -5.942 -1.682 1.455 357 H ALA 47 HN ALA 47 -1.124 -8.430 -2.414 358 HA ALA 47 HA ALA 47 1.224 -9.285 -0.943 359 1HB ALA 47 HB1 ALA 47 -1.209 -10.208 -1.290 360 2HB ALA 47 HB2 ALA 47 0.127 -11.341 -1.088 361 3HB ALA 47 HB3 ALA 47 -0.501 -10.994 -2.699 362 H GLN 48 HN GLN 48 0.588 -8.594 -4.258 363 HA GLN 48 HA GLN 48 3.153 -9.936 -5.040 364 1HB GLN 48 HB2 GLN 48 0.476 -9.731 -6.452 365 2HB GLN 48 HB1 GLN 48 1.953 -10.240 -7.273 366 1HG GLN 48 HG2 GLN 48 2.143 -11.916 -5.248 367 2HG GLN 48 HG1 GLN 48 0.404 -11.643 -5.120 368 1HE2 GLN 48 HE21 GLN 48 -0.383 -11.444 -7.789 369 2HE2 GLN 48 HE22 GLN 48 -0.031 -12.886 -8.613 370 H HIS 49 HN HIS 49 2.006 -7.107 -4.292 371 HA HIS 49 HA HIS 49 2.808 -5.617 -6.739 372 1HB HIS 49 HB2 HIS 49 0.601 -5.383 -5.433 373 2HB HIS 49 HB1 HIS 49 1.569 -4.602 -4.183 374 HD1 HIS 49 HD1 HIS 49 0.188 -4.080 -7.610 375 HD2 HIS 49 HD2 HIS 49 2.705 -2.065 -4.968 376 HE1 HIS 49 HE1 HIS 49 0.466 -1.739 -8.532 377 H ILE 50 HN ILE 50 5.137 -6.236 -6.163 378 HA ILE 50 HA ILE 50 6.516 -5.542 -3.847 379 HB ILE 50 HB ILE 50 7.245 -5.508 -6.776 380 1HG1 ILE 50 HG12 ILE 50 6.603 -7.664 -5.654 381 2HG1 ILE 50 HG11 ILE 50 8.259 -7.655 -6.258 382 1HG2 ILE 50 HG21 ILE 50 9.605 -5.472 -6.052 383 2HG2 ILE 50 HG22 ILE 50 9.084 -5.263 -4.381 384 3HG2 ILE 50 HG23 ILE 50 8.769 -3.997 -5.566 385 1HD1 ILE 50 HD11 ILE 50 9.159 -7.740 -4.163 386 2HD1 ILE 50 HD12 ILE 50 7.577 -8.380 -3.719 387 3HD1 ILE 50 HD13 ILE 50 7.933 -6.669 -3.488 388 H VAL 51 HN VAL 51 6.940 -3.695 -2.885 389 HA VAL 51 HA VAL 51 6.231 -1.104 -4.127 390 HB VAL 51 HB VAL 51 7.184 -1.861 -1.349 391 1HG1 VAL 51 HG11 VAL 51 7.266 0.454 -1.424 392 2HG1 VAL 51 HG12 VAL 51 5.597 0.191 -0.920 393 3HG1 VAL 51 HG13 VAL 51 5.962 0.559 -2.605 394 1HG2 VAL 51 HG21 VAL 51 4.315 -1.519 -2.241 395 2HG2 VAL 51 HG22 VAL 51 4.914 -2.252 -0.756 396 3HG2 VAL 51 HG23 VAL 51 5.108 -3.092 -2.290 397 H GLN 52 HN GLN 52 7.793 0.580 -4.427 398 HA GLN 52 HA GLN 52 10.649 -0.337 -4.308 399 1HB GLN 52 HB2 GLN 52 9.145 1.637 -6.023 400 2HB GLN 52 HB1 GLN 52 10.897 1.431 -6.083 401 1HG GLN 52 HG2 GLN 52 9.503 -1.132 -6.226 402 2HG GLN 52 HG1 GLN 52 9.019 -0.054 -7.535 403 1HE2 GLN 52 HE21 GLN 52 11.083 -2.496 -7.120 404 2HE2 GLN 52 HE22 GLN 52 12.418 -1.961 -8.022 405 H ASP 53 HN ASP 53 12.246 1.142 -3.685 406 HA ASP 53 HA ASP 53 11.830 2.890 -1.524 407 1HB ASP 53 HB2 ASP 53 14.006 2.133 -2.004 408 2HB ASP 53 HB1 ASP 53 13.889 2.631 -3.692 409 H GLY 54 HN GLY 54 10.509 4.498 -1.576 410 1HA GLY 54 HA2 GLY 54 10.166 6.884 -2.194 411 2HA GLY 54 HA1 GLY 54 10.561 6.434 -3.862 412 H ASP 55 HN ASP 55 8.911 3.983 -2.328 413 HA ASP 55 HA ASP 55 6.743 3.744 -3.998 414 1HB ASP 55 HB2 ASP 55 7.197 2.034 -2.484 415 2HB ASP 55 HB1 ASP 55 7.235 3.130 -1.106 416 H GLN 56 HN GLN 56 4.616 4.496 -4.056 417 HA GLN 56 HA GLN 56 3.901 6.728 -2.174 418 1HB GLN 56 HB2 GLN 56 4.351 7.689 -4.317 419 2HB GLN 56 HB1 GLN 56 3.564 6.358 -5.165 420 1HG GLN 56 HG2 GLN 56 1.560 7.370 -5.032 421 2HG GLN 56 HG1 GLN 56 1.737 7.615 -3.299 422 1HE2 GLN 56 HE21 GLN 56 3.419 9.491 -2.772 423 2HE2 GLN 56 HE22 GLN 56 3.298 10.877 -3.744 424 H ILE 57 HN ILE 57 1.743 6.587 -1.358 425 HA ILE 57 HA ILE 57 0.119 4.308 -2.404 426 HB ILE 57 HB ILE 57 1.068 4.834 0.400 427 1HG1 ILE 57 HG12 ILE 57 1.161 2.333 -1.293 428 2HG1 ILE 57 HG11 ILE 57 2.490 3.492 -1.178 429 1HG2 ILE 57 HG21 ILE 57 -1.112 4.249 0.893 430 2HG2 ILE 57 HG22 ILE 57 -0.394 2.645 0.740 431 3HG2 ILE 57 HG23 ILE 57 -1.310 3.334 -0.601 432 1HD1 ILE 57 HD11 ILE 57 2.337 1.404 0.474 433 2HD1 ILE 57 HD12 ILE 57 1.281 2.501 1.360 434 3HD1 ILE 57 HD13 ILE 57 2.947 2.966 1.023 435 H LEU 58 HN LEU 58 -2.070 4.515 -2.149 436 HA LEU 58 HA LEU 58 -3.122 7.037 -0.939 437 1HB LEU 58 HB2 LEU 58 -3.100 6.424 -3.579 438 2HB LEU 58 HB1 LEU 58 -4.590 5.615 -3.096 439 HG LEU 58 HG LEU 58 -4.942 7.985 -3.844 440 1HD1 LEU 58 HD11 LEU 58 -6.534 6.906 -2.323 441 2HD1 LEU 58 HD12 LEU 58 -6.346 8.607 -1.897 442 3HD1 LEU 58 HD13 LEU 58 -5.542 7.365 -0.938 443 1HD2 LEU 58 HD21 LEU 58 -2.674 8.462 -2.315 444 2HD2 LEU 58 HD22 LEU 58 -3.976 9.105 -1.314 445 3HD2 LEU 58 HD23 LEU 58 -3.753 9.699 -2.960 446 H LEU 59 HN LEU 59 -4.496 6.463 0.837 447 HA LEU 59 HA LEU 59 -5.218 3.591 0.963 448 1HB LEU 59 HB2 LEU 59 -4.142 4.577 2.897 449 2HB LEU 59 HB1 LEU 59 -5.366 5.846 2.976 450 HG LEU 59 HG LEU 59 -7.108 4.182 3.431 451 1HD1 LEU 59 HD11 LEU 59 -4.963 2.064 3.602 452 2HD1 LEU 59 HD12 LEU 59 -5.833 2.358 2.098 453 3HD1 LEU 59 HD13 LEU 59 -6.711 1.853 3.537 454 1HD2 LEU 59 HD21 LEU 59 -5.534 3.098 5.487 455 2HD2 LEU 59 HD22 LEU 59 -6.513 4.563 5.568 456 3HD2 LEU 59 HD23 LEU 59 -4.807 4.665 5.130 457 H PHE 60 HN PHE 60 -7.265 2.820 0.887 458 HA PHE 60 HA PHE 60 -9.498 4.793 0.560 459 1HB PHE 60 HB2 PHE 60 -8.999 2.079 -0.709 460 2HB PHE 60 HB1 PHE 60 -10.478 3.015 -0.921 461 HD1 PHE 60 HD1 PHE 60 -9.918 5.648 -1.466 462 HD2 PHE 60 HD2 PHE 60 -7.464 2.263 -2.439 463 HE1 PHE 60 HE1 PHE 60 -8.828 6.952 -3.274 464 HE2 PHE 60 HE2 PHE 60 -6.378 3.558 -4.233 465 HZ PHE 60 HZ PHE 60 -7.057 5.905 -4.661 466 H GLN 61 HN GLN 61 -11.476 4.193 1.568 467 HA GLN 61 HA GLN 61 -11.147 2.475 3.938 468 1HB GLN 61 HB2 GLN 61 -12.382 4.837 3.389 469 2HB GLN 61 HB1 GLN 61 -13.742 3.727 3.227 470 1HG GLN 61 HG2 GLN 61 -12.613 2.783 5.515 471 2HG GLN 61 HG1 GLN 61 -12.215 4.497 5.640 472 1HE2 GLN 61 HE21 GLN 61 -13.772 5.138 7.202 473 2HE2 GLN 61 HE22 GLN 61 -15.447 5.013 6.955 474 H VAL 62 HN VAL 62 -12.830 0.889 4.477 475 HA VAL 62 HA VAL 62 -13.185 -1.320 3.014 476 HB VAL 62 HB VAL 62 -14.152 -0.749 5.255 477 1HG1 VAL 62 HG11 VAL 62 -15.294 1.292 4.859 478 2HG1 VAL 62 HG12 VAL 62 -16.580 0.110 5.094 479 3HG1 VAL 62 HG13 VAL 62 -16.155 0.636 3.467 480 1HG2 VAL 62 HG21 VAL 62 -14.736 -2.844 4.047 481 2HG2 VAL 62 HG22 VAL 62 -16.094 -2.009 3.292 482 3HG2 VAL 62 HG23 VAL 62 -16.072 -2.259 5.037 483 H ILE 63 HN ILE 63 -14.627 -2.151 1.390 484 HA ILE 63 HA ILE 63 -15.992 -0.028 -0.236 485 HB ILE 63 HB ILE 63 -15.072 -2.720 -1.253 486 1HG1 ILE 63 HG12 ILE 63 -13.149 -0.724 -1.937 487 2HG1 ILE 63 HG11 ILE 63 -13.345 -0.681 -0.185 488 1HG2 ILE 63 HG21 ILE 63 -15.244 -0.007 -2.597 489 2HG2 ILE 63 HG22 ILE 63 -16.547 -1.196 -2.614 490 3HG2 ILE 63 HG23 ILE 63 -15.004 -1.567 -3.380 491 1HD1 ILE 63 HD11 ILE 63 -12.535 -2.817 0.095 492 2HD1 ILE 63 HD12 ILE 63 -11.689 -2.416 -1.399 493 3HD1 ILE 63 HD13 ILE 63 -13.170 -3.371 -1.454 494 H ALA 64 HN ALA 64 -17.998 -0.272 0.830 495 HA ALA 64 HA ALA 64 -19.324 -2.936 0.472 496 1HB ALA 64 HB1 ALA 64 -18.833 -2.533 2.793 497 2HB ALA 64 HB2 ALA 64 -20.555 -2.220 2.581 498 3HB ALA 64 HB3 ALA 64 -19.420 -0.874 2.686 499 H GLY 65 HN GLY 65 -21.740 -2.721 0.229 500 1HA GLY 65 HA2 GLY 65 -22.498 -0.875 -1.775 501 2HA GLY 65 HA1 GLY 65 -23.643 -1.728 -0.734 502 H GLY 66 HN GLY 66 -24.444 0.746 -1.311 503 1HA GLY 66 HA2 GLY 66 -23.470 2.565 0.832 504 2HA GLY 66 HA1 GLY 66 -24.481 3.043 -0.531 Start of MODEL 16 1 1H MET 1 HT1 MET 1 14.420 1.472 2.559 2 2H MET 1 HT2 MET 1 15.410 2.685 1.903 3 3H MET 1 HT3 MET 1 15.378 1.136 1.200 4 HA MET 1 HA MET 1 14.067 2.834 -0.049 5 1HB MET 1 HB2 MET 1 12.910 1.052 -0.768 6 2HB MET 1 HB1 MET 1 13.721 0.180 0.525 7 1HG MET 1 HG2 MET 1 11.456 -0.295 0.832 8 2HG MET 1 HG1 MET 1 11.799 0.971 2.005 9 1HE MET 1 HE1 MET 1 9.383 -0.248 -0.476 10 2HE MET 1 HE2 MET 1 10.639 0.241 -1.611 11 3HE MET 1 HE3 MET 1 9.088 1.069 -1.619 12 H GLN 2 HN GLN 2 12.080 4.032 -0.094 13 HA GLN 2 HA GLN 2 10.779 4.429 2.544 14 1HB GLN 2 HB2 GLN 2 12.421 6.110 2.502 15 2HB GLN 2 HB1 GLN 2 12.196 6.394 0.781 16 1HG GLN 2 HG2 GLN 2 10.480 7.845 1.122 17 2HG GLN 2 HG1 GLN 2 9.795 6.875 2.418 18 1HE2 GLN 2 HE21 GLN 2 10.187 7.566 4.550 19 2HE2 GLN 2 HE22 GLN 2 11.288 8.788 4.969 20 H ILE 3 HN ILE 3 8.702 5.453 2.360 21 HA ILE 3 HA ILE 3 7.568 5.372 -0.369 22 HB ILE 3 HB ILE 3 6.072 3.743 0.301 23 1HG1 ILE 3 HG12 ILE 3 6.379 5.040 2.940 24 2HG1 ILE 3 HG11 ILE 3 4.927 4.432 2.168 25 1HG2 ILE 3 HG21 ILE 3 7.389 2.023 1.429 26 2HG2 ILE 3 HG22 ILE 3 8.417 3.256 2.163 27 3HG2 ILE 3 HG23 ILE 3 8.459 2.988 0.422 28 1HD1 ILE 3 HD11 ILE 3 5.445 3.065 4.142 29 2HD1 ILE 3 HD12 ILE 3 7.070 2.763 3.534 30 3HD1 ILE 3 HD13 ILE 3 5.670 2.101 2.685 31 H LEU 4 HN LEU 4 5.191 6.075 -0.196 32 HA LEU 4 HA LEU 4 4.953 8.190 1.896 33 1HB LEU 4 HB2 LEU 4 5.404 9.100 -0.399 34 2HB LEU 4 HB1 LEU 4 3.946 8.282 -0.972 35 HG LEU 4 HG LEU 4 3.683 10.783 -0.240 36 1HD1 LEU 4 HD11 LEU 4 1.972 8.706 -0.404 37 2HD1 LEU 4 HD12 LEU 4 1.483 10.321 0.099 38 3HD1 LEU 4 HD13 LEU 4 1.818 9.081 1.312 39 1HD2 LEU 4 HD21 LEU 4 3.465 9.576 2.496 40 2HD2 LEU 4 HD22 LEU 4 3.667 11.270 2.039 41 3HD2 LEU 4 HD23 LEU 4 5.025 10.160 1.926 42 H PHE 5 HN PHE 5 3.499 7.267 3.234 43 HA PHE 5 HA PHE 5 1.180 5.826 2.029 44 1HB PHE 5 HB2 PHE 5 2.588 4.598 3.603 45 2HB PHE 5 HB1 PHE 5 2.430 5.882 4.795 46 HD1 PHE 5 HD1 PHE 5 0.561 5.993 6.246 47 HD2 PHE 5 HD2 PHE 5 0.537 3.284 2.912 48 HE1 PHE 5 HE1 PHE 5 -1.476 4.903 7.147 49 HE2 PHE 5 HE2 PHE 5 -1.502 2.196 3.811 50 HZ PHE 5 HZ PHE 5 -2.501 2.996 5.939 51 H ASN 6 HN ASN 6 -0.325 7.475 1.645 52 HA ASN 6 HA ASN 6 -1.855 9.150 2.135 53 1HB ASN 6 HB2 ASN 6 -2.155 7.400 4.041 54 2HB ASN 6 HB1 ASN 6 -1.327 8.593 5.046 55 1HD2 ASN 6 HD21 ASN 6 -2.427 10.653 5.447 56 2HD2 ASN 6 HD22 ASN 6 -4.079 10.853 5.101 57 H ASP 7 HN ASP 7 0.325 10.173 1.430 58 HA ASP 7 HA ASP 7 1.725 12.054 1.488 59 1HB ASP 7 HB2 ASP 7 -0.025 13.176 3.630 60 2HB ASP 7 HB1 ASP 7 0.681 13.971 2.229 61 H GLN 8 HN GLN 8 1.939 9.793 3.534 62 HA GLN 8 HA GLN 8 3.599 11.286 5.549 63 1HB GLN 8 HB2 GLN 8 2.330 8.541 5.748 64 2HB GLN 8 HB1 GLN 8 3.048 9.480 7.055 65 1HG GLN 8 HG2 GLN 8 1.184 11.224 5.951 66 2HG GLN 8 HG1 GLN 8 0.370 9.657 5.916 67 1HE2 GLN 8 HE21 GLN 8 0.190 8.476 8.019 68 2HE2 GLN 8 HE22 GLN 8 0.199 9.357 9.470 69 H ALA 9 HN ALA 9 5.770 10.954 5.220 70 HA ALA 9 HA ALA 9 6.675 8.980 3.291 71 1HB ALA 9 HB1 ALA 9 8.330 10.567 5.256 72 2HB ALA 9 HB2 ALA 9 7.610 11.293 3.815 73 3HB ALA 9 HB3 ALA 9 8.799 10.002 3.654 74 H MET 10 HN MET 10 7.973 7.183 3.667 75 HA MET 10 HA MET 10 8.164 6.154 6.506 76 1HB MET 10 HB2 MET 10 6.223 5.479 4.736 77 2HB MET 10 HB1 MET 10 7.474 4.326 4.302 78 1HG MET 10 HG2 MET 10 6.293 3.163 5.913 79 2HG MET 10 HG1 MET 10 7.595 3.867 6.862 80 1HE MET 10 HE1 MET 10 4.290 4.071 5.431 81 2HE MET 10 HE2 MET 10 4.108 5.818 5.558 82 3HE MET 10 HE3 MET 10 3.207 4.764 6.647 83 H GLN 11 HN GLN 11 9.284 3.873 6.346 84 HA GLN 11 HA GLN 11 11.186 3.623 4.146 85 1HB GLN 11 HB2 GLN 11 12.545 3.132 6.658 86 2HB GLN 11 HB1 GLN 11 13.078 4.076 5.280 87 1HG GLN 11 HG2 GLN 11 11.873 6.030 6.061 88 2HG GLN 11 HG1 GLN 11 11.113 5.100 7.352 89 1HE2 GLN 11 HE21 GLN 11 12.557 4.315 9.131 90 2HE2 GLN 11 HE22 GLN 11 14.026 5.114 9.439 91 H CYS 12 HN CYS 12 10.906 1.669 3.554 92 HA CYS 12 HA CYS 12 10.570 -0.546 5.554 93 1HB CYS 12 HB2 CYS 12 8.729 -1.390 4.200 94 2HB CYS 12 HB1 CYS 12 8.414 0.299 4.594 95 HG CYS 12 HG CYS 12 8.911 0.979 2.203 96 H ALA 13 HN ALA 13 10.237 -2.589 3.760 97 HA ALA 13 HA ALA 13 12.928 -2.980 2.755 98 1HB ALA 13 HB1 ALA 13 11.969 -5.259 2.279 99 2HB ALA 13 HB2 ALA 13 10.395 -4.639 2.777 100 3HB ALA 13 HB3 ALA 13 11.714 -4.731 3.945 101 H ALA 14 HN ALA 14 13.293 -1.839 0.791 102 HA ALA 14 HA ALA 14 11.308 -1.413 -1.211 103 1HB ALA 14 HB1 ALA 14 13.038 -0.272 -2.081 104 2HB ALA 14 HB2 ALA 14 13.902 -1.783 -2.377 105 3HB ALA 14 HB3 ALA 14 14.080 -0.951 -0.834 106 H GLY 15 HN GLY 15 10.567 -2.708 -2.795 107 1HA GLY 15 HA2 GLY 15 10.654 -4.540 -4.344 108 2HA GLY 15 HA1 GLY 15 11.918 -5.254 -3.351 109 H GLN 16 HN GLN 16 9.738 -4.148 -1.184 110 HA GLN 16 HA GLN 16 8.511 -6.828 -0.841 111 1HB GLN 16 HB2 GLN 16 8.446 -6.223 1.375 112 2HB GLN 16 HB1 GLN 16 9.656 -5.062 0.859 113 1HG GLN 16 HG2 GLN 16 7.729 -3.453 0.395 114 2HG GLN 16 HG1 GLN 16 6.697 -4.594 1.255 115 1HE2 GLN 16 HE21 GLN 16 7.233 -5.003 3.580 116 2HE2 GLN 16 HE22 GLN 16 8.092 -3.826 4.454 117 H THR 17 HN THR 17 6.306 -7.155 -1.408 118 HA THR 17 HA THR 17 4.914 -5.226 -2.943 119 HB THR 17 HB THR 17 3.135 -6.718 -2.939 120 HG1 THR 17 HG1 THR 17 2.430 -7.666 -1.179 121 1HG2 THR 17 HG21 THR 17 4.238 -8.497 -3.689 122 2HG2 THR 17 HG22 THR 17 4.673 -8.955 -2.043 123 3HG2 THR 17 HG23 THR 17 5.711 -7.861 -2.957 124 H VAL 18 HN VAL 18 2.406 -5.222 -2.045 125 HA VAL 18 HA VAL 18 2.221 -3.032 -0.123 126 HB VAL 18 HB VAL 18 0.300 -4.920 -1.407 127 1HG1 VAL 18 HG11 VAL 18 -1.098 -2.686 -1.200 128 2HG1 VAL 18 HG12 VAL 18 -0.006 -2.445 0.164 129 3HG1 VAL 18 HG13 VAL 18 -1.032 -3.880 0.097 130 1HG2 VAL 18 HG21 VAL 18 0.932 -2.186 -2.413 131 2HG2 VAL 18 HG22 VAL 18 0.309 -3.574 -3.298 132 3HG2 VAL 18 HG23 VAL 18 1.999 -3.529 -2.807 133 H HIS 19 HN HIS 19 0.937 -6.360 -0.385 134 HA HIS 19 HA HIS 19 -0.032 -6.683 2.255 135 1HB HIS 19 HB2 HIS 19 -0.127 -8.276 0.250 136 2HB HIS 19 HB1 HIS 19 1.570 -8.640 0.553 137 HD1 HIS 19 HD1 HIS 19 -0.434 -10.939 0.848 138 HD2 HIS 19 HD2 HIS 19 0.624 -8.451 4.018 139 HE1 HIS 19 HE1 HIS 19 -0.947 -12.220 2.974 140 H GLU 20 HN GLU 20 3.100 -6.475 0.785 141 HA GLU 20 HA GLU 20 4.567 -7.302 3.247 142 1HB GLU 20 HB2 GLU 20 5.405 -6.221 0.546 143 2HB GLU 20 HB1 GLU 20 6.540 -6.715 1.802 144 1HG GLU 20 HG2 GLU 20 4.421 -8.512 0.586 145 2HG GLU 20 HG1 GLU 20 6.129 -8.527 0.147 146 H LEU 21 HN LEU 21 3.807 -4.342 1.428 147 HA LEU 21 HA LEU 21 5.416 -2.599 3.112 148 1HB LEU 21 HB2 LEU 21 4.392 -2.356 0.711 149 2HB LEU 21 HB1 LEU 21 2.943 -1.826 1.554 150 HG LEU 21 HG LEU 21 4.579 0.002 0.798 151 1HD1 LEU 21 HD11 LEU 21 3.587 1.284 2.361 152 2HD1 LEU 21 HD12 LEU 21 4.387 0.421 3.676 153 3HD1 LEU 21 HD13 LEU 21 2.890 -0.211 2.990 154 1HD2 LEU 21 HD21 LEU 21 6.594 0.291 1.885 155 2HD2 LEU 21 HD22 LEU 21 6.526 -1.470 1.817 156 3HD2 LEU 21 HD23 LEU 21 6.092 -0.621 3.304 157 H LEU 22 HN LEU 22 1.898 -3.040 2.806 158 HA LEU 22 HA LEU 22 0.934 -1.631 4.992 159 1HB LEU 22 HB2 LEU 22 0.258 -4.235 3.641 160 2HB LEU 22 HB1 LEU 22 -0.726 -3.659 4.985 161 HG LEU 22 HG LEU 22 -0.091 -1.993 2.542 162 1HD1 LEU 22 HD11 LEU 22 -2.814 -3.094 3.086 163 2HD1 LEU 22 HD12 LEU 22 -1.614 -4.212 2.435 164 3HD1 LEU 22 HD13 LEU 22 -2.033 -2.749 1.543 165 1HD2 LEU 22 HD21 LEU 22 -1.002 -0.350 3.779 166 2HD2 LEU 22 HD22 LEU 22 -1.115 -1.466 5.145 167 3HD2 LEU 22 HD23 LEU 22 -2.460 -1.320 4.012 168 H GLU 23 HN GLU 23 1.784 -5.072 4.971 169 HA GLU 23 HA GLU 23 1.502 -5.544 7.759 170 1HB GLU 23 HB2 GLU 23 1.721 -7.169 5.842 171 2HB GLU 23 HB1 GLU 23 3.451 -6.825 5.833 172 1HG GLU 23 HG2 GLU 23 3.515 -8.600 7.282 173 2HG GLU 23 HG1 GLU 23 3.112 -7.353 8.464 174 H GLN 24 HN GLN 24 4.368 -4.507 5.880 175 HA GLN 24 HA GLN 24 6.212 -4.553 8.085 176 1HB GLN 24 HB2 GLN 24 6.751 -4.453 5.634 177 2HB GLN 24 HB1 GLN 24 6.170 -2.790 5.612 178 1HG GLN 24 HG2 GLN 24 8.557 -2.684 5.880 179 2HG GLN 24 HG1 GLN 24 7.848 -2.292 7.447 180 1HE2 GLN 24 HE21 GLN 24 10.383 -3.160 7.695 181 2HE2 GLN 24 HE22 GLN 24 10.465 -4.781 8.196 182 H LEU 25 HN LEU 25 3.953 -2.133 6.820 183 HA LEU 25 HA LEU 25 4.791 0.008 8.582 184 1HB LEU 25 HB2 LEU 25 2.240 -0.599 7.037 185 2HB LEU 25 HB1 LEU 25 2.600 0.953 7.788 186 HG LEU 25 HG LEU 25 4.034 -0.365 5.482 187 1HD1 LEU 25 HD11 LEU 25 2.290 0.887 4.599 188 2HD1 LEU 25 HD12 LEU 25 3.589 2.078 4.626 189 3HD1 LEU 25 HD13 LEU 25 2.361 2.081 5.894 190 1HD2 LEU 25 HD21 LEU 25 5.650 1.463 5.558 191 2HD2 LEU 25 HD22 LEU 25 5.706 0.549 7.064 192 3HD2 LEU 25 HD23 LEU 25 4.882 2.108 7.008 193 H ASP 26 HN ASP 26 2.865 -2.843 8.833 194 HA ASP 26 HA ASP 26 2.039 -3.882 10.809 195 1HB ASP 26 HB2 ASP 26 3.530 -2.140 11.975 196 2HB ASP 26 HB1 ASP 26 2.086 -1.138 12.052 197 H GLN 27 HN GLN 27 0.594 -2.507 8.571 198 HA GLN 27 HA GLN 27 -2.005 -2.073 10.004 199 1HB GLN 27 HB2 GLN 27 -1.891 -0.701 7.453 200 2HB GLN 27 HB1 GLN 27 -2.176 -0.026 9.053 201 1HG GLN 27 HG2 GLN 27 0.403 -0.186 9.354 202 2HG GLN 27 HG1 GLN 27 0.448 -0.367 7.601 203 1HE2 GLN 27 HE21 GLN 27 -0.583 1.861 10.206 204 2HE2 GLN 27 HE22 GLN 27 -0.628 3.246 9.225 205 H ARG 28 HN ARG 28 -3.781 -3.171 9.079 206 HA ARG 28 HA ARG 28 -3.119 -4.999 6.819 207 1HB ARG 28 HB2 ARG 28 -5.077 -4.984 9.113 208 2HB ARG 28 HB1 ARG 28 -5.257 -6.111 7.766 209 1HG ARG 28 HG2 ARG 28 -2.512 -6.065 8.657 210 2HG ARG 28 HG1 ARG 28 -3.586 -6.418 10.013 211 1HD ARG 28 HD2 ARG 28 -4.739 -8.023 8.220 212 2HD ARG 28 HD1 ARG 28 -3.108 -7.998 7.521 213 HE ARG 28 HE ARG 28 -3.161 -8.377 10.428 214 1HH1 ARG 28 HH21 ARG 28 -1.011 -9.395 8.603 215 2HH1 ARG 28 HH22 ARG 28 -1.347 -11.094 8.563 216 1HH2 ARG 28 HH11 ARG 28 -4.570 -10.745 9.817 217 2HH2 ARG 28 HH12 ARG 28 -3.371 -11.865 9.253 218 H GLN 29 HN GLN 29 -6.443 -4.797 7.259 219 HA GLN 29 HA GLN 29 -7.134 -2.449 5.810 220 1HB GLN 29 HB2 GLN 29 -7.606 -3.840 3.642 221 2HB GLN 29 HB1 GLN 29 -5.990 -3.221 3.952 222 1HG GLN 29 HG2 GLN 29 -5.138 -5.303 4.034 223 2HG GLN 29 HG1 GLN 29 -6.363 -5.822 5.188 224 1HE2 GLN 29 HE21 GLN 29 -5.882 -5.255 1.669 225 2HE2 GLN 29 HE22 GLN 29 -7.028 -6.404 1.171 226 H ALA 30 HN ALA 30 -8.122 -5.932 5.655 227 HA ALA 30 HA ALA 30 -10.213 -6.911 6.254 228 1HB ALA 30 HB1 ALA 30 -10.894 -6.007 8.204 229 2HB ALA 30 HB2 ALA 30 -11.469 -4.567 7.365 230 3HB ALA 30 HB3 ALA 30 -9.795 -4.658 7.925 231 H GLY 31 HN GLY 31 -9.672 -4.647 4.031 232 1HA GLY 31 HA2 GLY 31 -11.463 -4.895 2.162 233 2HA GLY 31 HA1 GLY 31 -12.516 -4.147 3.370 234 H ALA 32 HN ALA 32 -9.103 -3.477 2.697 235 HA ALA 32 HA ALA 32 -9.810 -0.605 2.326 236 1HB ALA 32 HB1 ALA 32 -7.209 -2.017 3.002 237 2HB ALA 32 HB2 ALA 32 -8.283 -1.234 4.161 238 3HB ALA 32 HB3 ALA 32 -7.433 -0.269 2.955 239 H ALA 33 HN ALA 33 -8.486 0.603 0.766 240 HA ALA 33 HA ALA 33 -7.400 -1.041 -1.489 241 1HB ALA 33 HB1 ALA 33 -9.764 0.707 -1.389 242 2HB ALA 33 HB2 ALA 33 -9.316 -0.496 -2.595 243 3HB ALA 33 HB3 ALA 33 -8.648 1.135 -2.687 244 H LEU 34 HN LEU 34 -5.810 0.257 -2.775 245 HA LEU 34 HA LEU 34 -5.056 2.813 -1.512 246 1HB LEU 34 HB2 LEU 34 -3.580 1.765 -0.199 247 2HB LEU 34 HB1 LEU 34 -3.873 0.239 -1.016 248 HG LEU 34 HG LEU 34 -2.056 2.371 -2.181 249 1HD1 LEU 34 HD11 LEU 34 -1.557 1.069 0.205 250 2HD1 LEU 34 HD12 LEU 34 -0.316 1.698 -0.881 251 3HD1 LEU 34 HD13 LEU 34 -0.796 0.004 -0.973 252 1HD2 LEU 34 HD21 LEU 34 -2.060 0.920 -3.914 253 2HD2 LEU 34 HD22 LEU 34 -3.035 -0.232 -3.000 254 3HD2 LEU 34 HD23 LEU 34 -1.278 -0.257 -2.857 255 H ALA 35 HN ALA 35 -3.650 4.161 -2.834 256 HA ALA 35 HA ALA 35 -3.328 3.123 -5.639 257 1HB ALA 35 HB1 ALA 35 -4.864 5.227 -4.699 258 2HB ALA 35 HB2 ALA 35 -4.301 5.056 -6.360 259 3HB ALA 35 HB3 ALA 35 -3.386 6.036 -5.215 260 H ILE 36 HN ILE 36 -1.190 2.835 -6.108 261 HA ILE 36 HA ILE 36 0.782 4.482 -4.566 262 HB ILE 36 HB ILE 36 1.033 1.817 -5.993 263 1HG1 ILE 36 HG12 ILE 36 0.497 2.683 -3.163 264 2HG1 ILE 36 HG11 ILE 36 -0.250 1.379 -4.083 265 1HG2 ILE 36 HG21 ILE 36 3.272 1.907 -5.617 266 2HG2 ILE 36 HG22 ILE 36 3.052 2.602 -4.013 267 3HG2 ILE 36 HG23 ILE 36 3.032 3.646 -5.432 268 1HD1 ILE 36 HD11 ILE 36 1.230 0.455 -2.360 269 2HD1 ILE 36 HD12 ILE 36 2.583 1.393 -2.994 270 3HD1 ILE 36 HD13 ILE 36 1.875 0.097 -3.960 271 H ASN 37 HN ASN 37 2.152 5.840 -5.720 272 HA ASN 37 HA ASN 37 3.093 6.955 -7.579 273 1HB ASN 37 HB2 ASN 37 2.683 4.165 -8.718 274 2HB ASN 37 HB1 ASN 37 3.692 5.412 -9.458 275 1HD2 ASN 37 HD21 ASN 37 5.166 6.482 -7.448 276 2HD2 ASN 37 HD22 ASN 37 6.039 5.295 -6.600 277 H GLN 38 HN GLN 38 0.153 6.797 -7.131 278 HA GLN 38 HA GLN 38 -1.711 7.789 -8.169 279 1HB GLN 38 HB2 GLN 38 -1.269 9.148 -9.953 280 2HB GLN 38 HB1 GLN 38 0.402 8.757 -9.566 281 1HG GLN 38 HG2 GLN 38 0.494 8.150 -11.761 282 2HG GLN 38 HG1 GLN 38 -0.235 6.654 -11.178 283 1HE2 GLN 38 HE21 GLN 38 -1.033 6.843 -13.621 284 2HE2 GLN 38 HE22 GLN 38 -2.534 7.606 -13.832 285 H GLN 39 HN GLN 39 -0.792 4.800 -8.366 286 HA GLN 39 HA GLN 39 -2.832 4.104 -10.449 287 1HB GLN 39 HB2 GLN 39 -1.579 2.181 -10.973 288 2HB GLN 39 HB1 GLN 39 -0.330 3.388 -10.686 289 1HG GLN 39 HG2 GLN 39 -0.430 2.490 -8.214 290 2HG GLN 39 HG1 GLN 39 -1.170 1.080 -8.961 291 1HE2 GLN 39 HE21 GLN 39 0.145 0.421 -11.125 292 2HE2 GLN 39 HE22 GLN 39 1.826 0.337 -10.915 293 H ILE 40 HN ILE 40 -4.704 3.681 -9.385 294 HA ILE 40 HA ILE 40 -4.763 2.711 -6.633 295 HB ILE 40 HB ILE 40 -6.815 3.078 -8.841 296 1HG1 ILE 40 HG12 ILE 40 -7.724 4.702 -7.069 297 2HG1 ILE 40 HG11 ILE 40 -6.196 4.478 -6.226 298 1HG2 ILE 40 HG21 ILE 40 -8.555 2.372 -7.327 299 2HG2 ILE 40 HG22 ILE 40 -7.415 2.232 -5.990 300 3HG2 ILE 40 HG23 ILE 40 -7.345 1.090 -7.332 301 1HD1 ILE 40 HD11 ILE 40 -6.617 5.602 -9.007 302 2HD1 ILE 40 HD12 ILE 40 -5.032 5.169 -8.371 303 3HD1 ILE 40 HD13 ILE 40 -5.967 6.438 -7.600 304 H VAL 41 HN VAL 41 -4.106 0.608 -6.246 305 HA VAL 41 HA VAL 41 -4.730 -1.464 -8.312 306 HB VAL 41 HB VAL 41 -2.934 -1.510 -5.888 307 1HG1 VAL 41 HG11 VAL 41 -3.922 -3.693 -6.759 308 2HG1 VAL 41 HG12 VAL 41 -2.161 -3.617 -6.712 309 3HG1 VAL 41 HG13 VAL 41 -3.009 -3.413 -8.243 310 1HG2 VAL 41 HG21 VAL 41 -2.610 -0.593 -8.692 311 2HG2 VAL 41 HG22 VAL 41 -1.334 -1.670 -8.124 312 3HG2 VAL 41 HG23 VAL 41 -1.667 -0.166 -7.261 313 HA PRO 42 HA PRO 42 -7.653 -3.041 -5.541 314 1HB PRO 42 HB2 PRO 42 -7.889 -5.537 -6.599 315 2HB PRO 42 HB1 PRO 42 -8.627 -4.083 -7.276 316 1HG PRO 42 HG2 PRO 42 -6.241 -5.585 -8.166 317 2HG PRO 42 HG1 PRO 42 -7.426 -4.681 -9.123 318 1HD PRO 42 HD2 PRO 42 -4.905 -3.772 -8.430 319 2HD PRO 42 HD1 PRO 42 -6.261 -2.740 -8.938 320 H ARG 43 HN ARG 43 -7.315 -3.736 -3.666 321 HA ARG 43 HA ARG 43 -5.278 -4.531 -2.169 322 1HB ARG 43 HB2 ARG 43 -6.922 -6.187 -1.031 323 2HB ARG 43 HB1 ARG 43 -7.379 -4.493 -1.127 324 1HG ARG 43 HG2 ARG 43 -8.370 -5.516 -3.496 325 2HG ARG 43 HG1 ARG 43 -8.617 -6.842 -2.366 326 1HD ARG 43 HD2 ARG 43 -9.780 -5.314 -0.808 327 2HD ARG 43 HD1 ARG 43 -9.543 -3.975 -1.946 328 HE ARG 43 HE ARG 43 -11.281 -6.345 -2.417 329 1HH1 ARG 43 HH21 ARG 43 -9.541 -3.907 -4.012 330 2HH1 ARG 43 HH22 ARG 43 -10.862 -3.400 -5.010 331 1HH2 ARG 43 HH11 ARG 43 -13.183 -5.442 -3.434 332 2HH2 ARG 43 HH12 ARG 43 -12.929 -4.265 -4.681 333 H GLU 44 HN GLU 44 -7.129 -7.060 -3.830 334 HA GLU 44 HA GLU 44 -5.782 -9.333 -3.220 335 1HB GLU 44 HB2 GLU 44 -7.616 -9.418 -4.625 336 2HB GLU 44 HB1 GLU 44 -6.967 -8.192 -5.709 337 1HG GLU 44 HG2 GLU 44 -6.800 -10.314 -6.854 338 2HG GLU 44 HG1 GLU 44 -5.167 -9.861 -6.371 339 H GLN 45 HN GLN 45 -4.573 -6.910 -5.553 340 HA GLN 45 HA GLN 45 -2.255 -8.493 -6.312 341 1HB GLN 45 HB2 GLN 45 -2.985 -5.560 -6.569 342 2HB GLN 45 HB1 GLN 45 -1.557 -6.272 -7.318 343 1HG GLN 45 HG2 GLN 45 -3.668 -7.987 -8.007 344 2HG GLN 45 HG1 GLN 45 -4.321 -6.361 -8.193 345 1HE2 GLN 45 HE21 GLN 45 -3.925 -7.838 -10.525 346 2HE2 GLN 45 HE22 GLN 45 -2.595 -7.226 -11.386 347 H TRP 46 HN TRP 46 -2.867 -6.140 -3.742 348 HA TRP 46 HA TRP 46 -0.454 -5.153 -2.965 349 1HB TRP 46 HB2 TRP 46 -2.561 -6.602 -1.354 350 2HB TRP 46 HB1 TRP 46 -1.288 -5.627 -0.625 351 HD1 TRP 46 HD1 TRP 46 -2.321 -4.095 -3.825 352 HE1 TRP 46 HE1 TRP 46 -3.916 -2.109 -3.402 353 HE3 TRP 46 HE3 TRP 46 -3.420 -4.883 1.090 354 HZ2 TRP 46 HZ2 TRP 46 -5.459 -1.013 -1.244 355 HZ3 TRP 46 HZ3 TRP 46 -4.954 -3.359 2.301 356 HH2 TRP 46 HH2 TRP 46 -5.973 -1.423 1.138 357 H ALA 47 HN ALA 47 -1.356 -8.529 -2.896 358 HA ALA 47 HA ALA 47 0.908 -9.367 -1.260 359 1HB ALA 47 HB1 ALA 47 -0.745 -10.882 -1.054 360 2HB ALA 47 HB2 ALA 47 -0.146 -11.544 -2.575 361 3HB ALA 47 HB3 ALA 47 -1.488 -10.395 -2.579 362 H GLN 48 HN GLN 48 0.383 -8.759 -4.636 363 HA GLN 48 HA GLN 48 3.036 -10.002 -5.262 364 1HB GLN 48 HB2 GLN 48 2.010 -11.175 -6.923 365 2HB GLN 48 HB1 GLN 48 0.483 -10.682 -6.207 366 1HG GLN 48 HG2 GLN 48 0.164 -9.926 -8.369 367 2HG GLN 48 HG1 GLN 48 0.911 -8.489 -7.681 368 1HE2 GLN 48 HE21 GLN 48 2.157 -7.740 -9.460 369 2HE2 GLN 48 HE22 GLN 48 3.335 -8.673 -10.244 370 H HIS 49 HN HIS 49 1.666 -7.225 -4.599 371 HA HIS 49 HA HIS 49 2.508 -5.594 -6.916 372 1HB HIS 49 HB2 HIS 49 0.349 -5.359 -5.696 373 2HB HIS 49 HB1 HIS 49 1.240 -4.986 -4.225 374 HD1 HIS 49 HD1 HIS 49 -0.734 -2.955 -5.575 375 HD2 HIS 49 HD2 HIS 49 3.394 -2.968 -6.137 376 HE1 HIS 49 HE1 HIS 49 -0.104 -0.613 -6.291 377 H ILE 50 HN ILE 50 4.870 -6.360 -6.335 378 HA ILE 50 HA ILE 50 6.300 -5.704 -4.040 379 HB ILE 50 HB ILE 50 7.009 -5.687 -6.977 380 1HG1 ILE 50 HG12 ILE 50 6.211 -7.809 -5.851 381 2HG1 ILE 50 HG11 ILE 50 7.835 -7.910 -6.534 382 1HG2 ILE 50 HG21 ILE 50 8.678 -5.156 -4.553 383 2HG2 ILE 50 HG22 ILE 50 8.818 -4.488 -6.178 384 3HG2 ILE 50 HG23 ILE 50 9.377 -6.129 -5.848 385 1HD1 ILE 50 HD11 ILE 50 7.538 -7.039 -3.682 386 2HD1 ILE 50 HD12 ILE 50 8.860 -7.912 -4.456 387 3HD1 ILE 50 HD13 ILE 50 7.359 -8.752 -4.065 388 H VAL 51 HN VAL 51 6.897 -3.875 -3.093 389 HA VAL 51 HA VAL 51 6.281 -1.231 -4.321 390 HB VAL 51 HB VAL 51 7.116 -2.013 -1.512 391 1HG1 VAL 51 HG11 VAL 51 6.095 0.417 -2.855 392 2HG1 VAL 51 HG12 VAL 51 7.118 0.265 -1.426 393 3HG1 VAL 51 HG13 VAL 51 5.375 0.040 -1.292 394 1HG2 VAL 51 HG21 VAL 51 4.751 -2.262 -1.010 395 2HG2 VAL 51 HG22 VAL 51 5.138 -3.324 -2.356 396 3HG2 VAL 51 HG23 VAL 51 4.308 -1.798 -2.648 397 H GLN 52 HN GLN 52 7.895 0.404 -4.536 398 HA GLN 52 HA GLN 52 10.739 -0.547 -4.298 399 1HB GLN 52 HB2 GLN 52 9.425 1.559 -6.014 400 2HB GLN 52 HB1 GLN 52 11.129 1.107 -6.078 401 1HG GLN 52 HG2 GLN 52 9.274 -1.176 -6.290 402 2HG GLN 52 HG1 GLN 52 9.158 -0.033 -7.627 403 1HE2 GLN 52 HE21 GLN 52 11.239 -2.407 -6.078 404 2HE2 GLN 52 HE22 GLN 52 12.467 -2.371 -7.250 405 H ASP 53 HN ASP 53 12.351 0.965 -3.658 406 HA ASP 53 HA ASP 53 11.836 2.728 -1.514 407 1HB ASP 53 HB2 ASP 53 14.032 1.929 -1.886 408 2HB ASP 53 HB1 ASP 53 14.030 2.510 -3.550 409 H GLY 54 HN GLY 54 10.581 4.392 -1.628 410 1HA GLY 54 HA2 GLY 54 10.393 6.794 -2.306 411 2HA GLY 54 HA1 GLY 54 10.656 6.236 -3.968 412 H ASP 55 HN ASP 55 9.059 3.816 -2.551 413 HA ASP 55 HA ASP 55 6.773 3.672 -3.964 414 1HB ASP 55 HB2 ASP 55 7.393 2.028 -2.356 415 2HB ASP 55 HB1 ASP 55 7.214 3.171 -1.027 416 H GLN 56 HN GLN 56 4.730 4.555 -3.996 417 HA GLN 56 HA GLN 56 4.136 6.786 -2.077 418 1HB GLN 56 HB2 GLN 56 4.585 7.793 -4.201 419 2HB GLN 56 HB1 GLN 56 3.768 6.495 -5.070 420 1HG GLN 56 HG2 GLN 56 2.143 8.131 -5.139 421 2HG GLN 56 HG1 GLN 56 1.675 7.299 -3.664 422 1HE2 GLN 56 HE21 GLN 56 0.737 9.335 -2.809 423 2HE2 GLN 56 HE22 GLN 56 1.747 10.578 -2.244 424 H ILE 57 HN ILE 57 1.952 6.722 -1.300 425 HA ILE 57 HA ILE 57 0.286 4.491 -2.366 426 HB ILE 57 HB ILE 57 1.145 5.007 0.467 427 1HG1 ILE 57 HG12 ILE 57 1.353 2.530 -1.259 428 2HG1 ILE 57 HG11 ILE 57 2.680 3.658 -0.966 429 1HG2 ILE 57 HG21 ILE 57 -0.330 2.877 0.796 430 2HG2 ILE 57 HG22 ILE 57 -1.119 3.417 -0.687 431 3HG2 ILE 57 HG23 ILE 57 -1.107 4.459 0.736 432 1HD1 ILE 57 HD11 ILE 57 2.095 3.275 1.557 433 2HD1 ILE 57 HD12 ILE 57 3.042 2.059 0.702 434 3HD1 ILE 57 HD13 ILE 57 1.315 1.809 0.968 435 H LEU 58 HN LEU 58 -1.925 4.801 -2.149 436 HA LEU 58 HA LEU 58 -2.876 7.320 -0.872 437 1HB LEU 58 HB2 LEU 58 -2.750 6.942 -3.541 438 2HB LEU 58 HB1 LEU 58 -4.285 6.155 -3.223 439 HG LEU 58 HG LEU 58 -4.655 8.510 -3.778 440 1HD1 LEU 58 HD11 LEU 58 -5.370 9.081 -1.143 441 2HD1 LEU 58 HD12 LEU 58 -5.400 7.323 -1.225 442 3HD1 LEU 58 HD13 LEU 58 -6.375 8.268 -2.344 443 1HD2 LEU 58 HD21 LEU 58 -2.396 8.838 -1.942 444 2HD2 LEU 58 HD22 LEU 58 -3.715 9.960 -1.614 445 3HD2 LEU 58 HD23 LEU 58 -2.973 9.911 -3.215 446 H LEU 59 HN LEU 59 -4.308 6.681 0.826 447 HA LEU 59 HA LEU 59 -5.181 3.851 0.752 448 1HB LEU 59 HB2 LEU 59 -4.021 4.918 2.691 449 2HB LEU 59 HB1 LEU 59 -5.456 5.913 2.941 450 HG LEU 59 HG LEU 59 -6.836 3.916 3.245 451 1HD1 LEU 59 HD11 LEU 59 -5.661 1.675 3.350 452 2HD1 LEU 59 HD12 LEU 59 -4.253 2.457 2.639 453 3HD1 LEU 59 HD13 LEU 59 -5.766 2.372 1.733 454 1HD2 LEU 59 HD21 LEU 59 -4.458 4.474 4.900 455 2HD2 LEU 59 HD22 LEU 59 -5.147 2.870 5.144 456 3HD2 LEU 59 HD23 LEU 59 -6.148 4.299 5.381 457 H PHE 60 HN PHE 60 -7.241 3.127 0.764 458 HA PHE 60 HA PHE 60 -9.474 5.117 0.493 459 1HB PHE 60 HB2 PHE 60 -9.025 2.392 -0.781 460 2HB PHE 60 HB1 PHE 60 -10.453 3.399 -1.031 461 HD1 PHE 60 HD1 PHE 60 -6.708 3.587 -1.235 462 HD2 PHE 60 HD2 PHE 60 -10.477 4.891 -2.812 463 HE1 PHE 60 HE1 PHE 60 -5.533 4.840 -3.013 464 HE2 PHE 60 HE2 PHE 60 -9.304 6.154 -4.592 465 HZ PHE 60 HZ PHE 60 -6.825 6.131 -4.692 466 H GLN 61 HN GLN 61 -11.356 4.614 1.730 467 HA GLN 61 HA GLN 61 -10.966 2.597 3.866 468 1HB GLN 61 HB2 GLN 61 -12.022 5.140 3.723 469 2HB GLN 61 HB1 GLN 61 -13.475 4.139 3.715 470 1HG GLN 61 HG2 GLN 61 -13.180 4.265 5.990 471 2HG GLN 61 HG1 GLN 61 -12.126 2.890 5.676 472 1HE2 GLN 61 HE21 GLN 61 -9.808 3.238 5.751 473 2HE2 GLN 61 HE22 GLN 61 -9.137 4.668 6.375 474 H VAL 62 HN VAL 62 -12.669 1.034 4.353 475 HA VAL 62 HA VAL 62 -13.476 -0.784 2.517 476 HB VAL 62 HB VAL 62 -15.023 0.422 4.820 477 1HG1 VAL 62 HG11 VAL 62 -16.611 -0.617 3.194 478 2HG1 VAL 62 HG12 VAL 62 -16.531 -1.510 4.714 479 3HG1 VAL 62 HG13 VAL 62 -15.686 -2.113 3.290 480 1HG2 VAL 62 HG21 VAL 62 -12.891 -0.800 5.256 481 2HG2 VAL 62 HG22 VAL 62 -13.584 -2.224 4.480 482 3HG2 VAL 62 HG23 VAL 62 -14.292 -1.598 5.971 483 H ILE 63 HN ILE 63 -15.182 -1.058 1.013 484 HA ILE 63 HA ILE 63 -16.584 1.472 0.223 485 HB ILE 63 HB ILE 63 -16.581 0.184 -2.059 486 1HG1 ILE 63 HG12 ILE 63 -15.657 -1.899 -0.744 487 2HG1 ILE 63 HG11 ILE 63 -15.035 -1.547 -2.351 488 1HG2 ILE 63 HG21 ILE 63 -14.338 1.614 -0.683 489 2HG2 ILE 63 HG22 ILE 63 -15.333 2.137 -2.043 490 3HG2 ILE 63 HG23 ILE 63 -14.055 0.949 -2.293 491 1HD1 ILE 63 HD11 ILE 63 -13.520 -1.856 -0.024 492 2HD1 ILE 63 HD12 ILE 63 -13.549 -0.116 -0.292 493 3HD1 ILE 63 HD13 ILE 63 -12.953 -1.194 -1.554 494 H ALA 64 HN ALA 64 -18.460 1.089 1.371 495 HA ALA 64 HA ALA 64 -19.898 -1.447 0.744 496 1HB ALA 64 HB1 ALA 64 -19.125 -0.045 3.155 497 2HB ALA 64 HB2 ALA 64 -19.735 -1.691 2.972 498 3HB ALA 64 HB3 ALA 64 -20.862 -0.341 3.123 499 H GLY 65 HN GLY 65 -22.352 -1.169 0.953 500 1HA GLY 65 HA2 GLY 65 -23.166 1.366 -0.362 501 2HA GLY 65 HA1 GLY 65 -24.127 -0.114 -0.308 502 H GLY 66 HN GLY 66 -25.394 2.224 0.394 503 1HA GLY 66 HA2 GLY 66 -26.866 2.884 2.130 504 2HA GLY 66 HA1 GLY 66 -26.121 1.666 3.169 Start of MODEL 17 1 1H MET 1 HT1 MET 1 15.134 1.476 1.606 2 2H MET 1 HT2 MET 1 14.298 0.779 2.912 3 3H MET 1 HT3 MET 1 14.585 2.453 2.877 4 HA MET 1 HA MET 1 13.246 1.997 0.532 5 1HB MET 1 HB2 MET 1 12.950 -0.254 2.055 6 2HB MET 1 HB1 MET 1 11.567 0.703 2.581 7 1HG MET 1 HG2 MET 1 12.191 0.276 -0.335 8 2HG MET 1 HG1 MET 1 11.194 -0.836 0.592 9 1HE MET 1 HE1 MET 1 8.708 0.714 -1.578 10 2HE MET 1 HE2 MET 1 8.553 -0.476 -0.290 11 3HE MET 1 HE3 MET 1 9.971 -0.500 -1.334 12 H GLN 2 HN GLN 2 11.464 3.383 0.479 13 HA GLN 2 HA GLN 2 10.460 4.573 2.977 14 1HB GLN 2 HB2 GLN 2 12.370 5.956 2.508 15 2HB GLN 2 HB1 GLN 2 11.931 6.051 0.802 16 1HG GLN 2 HG2 GLN 2 9.819 7.208 1.446 17 2HG GLN 2 HG1 GLN 2 10.361 7.206 3.123 18 1HE2 GLN 2 HE21 GLN 2 10.036 9.713 2.420 19 2HE2 GLN 2 HE22 GLN 2 11.466 10.482 1.922 20 H ILE 3 HN ILE 3 8.461 5.518 2.669 21 HA ILE 3 HA ILE 3 7.415 5.338 -0.071 22 HB ILE 3 HB ILE 3 5.959 3.661 0.520 23 1HG1 ILE 3 HG12 ILE 3 5.980 5.009 3.151 24 2HG1 ILE 3 HG11 ILE 3 4.631 4.329 2.254 25 1HG2 ILE 3 HG21 ILE 3 8.260 2.792 0.798 26 2HG2 ILE 3 HG22 ILE 3 7.173 1.984 1.925 27 3HG2 ILE 3 HG23 ILE 3 8.242 3.265 2.494 28 1HD1 ILE 3 HD11 ILE 3 5.319 2.056 2.920 29 2HD1 ILE 3 HD12 ILE 3 5.048 3.066 4.341 30 3HD1 ILE 3 HD13 ILE 3 6.691 2.723 3.799 31 H LEU 4 HN LEU 4 5.060 6.070 0.009 32 HA LEU 4 HA LEU 4 4.759 8.170 2.092 33 1HB LEU 4 HB2 LEU 4 5.344 9.088 -0.141 34 2HB LEU 4 HB1 LEU 4 3.969 8.226 -0.836 35 HG LEU 4 HG LEU 4 3.562 10.719 -0.169 36 1HD1 LEU 4 HD11 LEU 4 1.960 8.575 -0.457 37 2HD1 LEU 4 HD12 LEU 4 1.362 10.179 -0.038 38 3HD1 LEU 4 HD13 LEU 4 1.625 8.975 1.229 39 1HD2 LEU 4 HD21 LEU 4 4.733 10.139 2.114 40 2HD2 LEU 4 HD22 LEU 4 3.141 9.533 2.543 41 3HD2 LEU 4 HD23 LEU 4 3.346 11.225 2.092 42 H PHE 5 HN PHE 5 3.233 7.186 3.382 43 HA PHE 5 HA PHE 5 1.046 5.711 2.026 44 1HB PHE 5 HB2 PHE 5 2.312 4.592 3.801 45 2HB PHE 5 HB1 PHE 5 1.947 5.897 4.925 46 HD1 PHE 5 HD1 PHE 5 -0.250 6.083 5.960 47 HD2 PHE 5 HD2 PHE 5 0.545 3.092 2.983 48 HE1 PHE 5 HE1 PHE 5 -2.382 4.950 6.529 49 HE2 PHE 5 HE2 PHE 5 -1.579 1.963 3.547 50 HZ PHE 5 HZ PHE 5 -3.047 2.884 5.324 51 H ASN 6 HN ASN 6 -0.467 7.269 1.403 52 HA ASN 6 HA ASN 6 -2.085 8.925 1.631 53 1HB ASN 6 HB2 ASN 6 -2.612 7.206 3.501 54 2HB ASN 6 HB1 ASN 6 -1.919 8.402 4.598 55 1HD2 ASN 6 HD21 ASN 6 -3.084 10.487 2.475 56 2HD2 ASN 6 HD22 ASN 6 -4.697 10.637 2.978 57 H ASP 7 HN ASP 7 0.110 10.001 1.195 58 HA ASP 7 HA ASP 7 1.413 11.937 1.371 59 1HB ASP 7 HB2 ASP 7 -0.496 13.013 3.384 60 2HB ASP 7 HB1 ASP 7 0.201 13.791 1.967 61 H GLN 8 HN GLN 8 1.529 9.663 3.434 62 HA GLN 8 HA GLN 8 2.968 11.184 5.600 63 1HB GLN 8 HB2 GLN 8 1.821 8.375 5.641 64 2HB GLN 8 HB1 GLN 8 2.422 9.293 7.020 65 1HG GLN 8 HG2 GLN 8 0.552 10.996 5.880 66 2HG GLN 8 HG1 GLN 8 -0.193 9.405 5.731 67 1HE2 GLN 8 HE21 GLN 8 0.255 11.990 7.876 68 2HE2 GLN 8 HE22 GLN 8 -0.120 11.183 9.322 69 H ALA 9 HN ALA 9 5.190 10.928 5.457 70 HA ALA 9 HA ALA 9 6.313 9.052 3.539 71 1HB ALA 9 HB1 ALA 9 7.367 11.159 3.844 72 2HB ALA 9 HB2 ALA 9 8.463 9.987 4.578 73 3HB ALA 9 HB3 ALA 9 7.409 10.967 5.597 74 H MET 10 HN MET 10 7.601 7.237 3.976 75 HA MET 10 HA MET 10 7.694 6.148 6.780 76 1HB MET 10 HB2 MET 10 5.680 5.530 5.077 77 2HB MET 10 HB1 MET 10 6.893 4.361 4.581 78 1HG MET 10 HG2 MET 10 5.822 3.155 6.220 79 2HG MET 10 HG1 MET 10 7.099 3.914 7.157 80 1HE MET 10 HE1 MET 10 3.330 5.834 6.168 81 2HE MET 10 HE2 MET 10 2.739 4.370 6.949 82 3HE MET 10 HE3 MET 10 3.876 4.249 5.607 83 H GLN 11 HN GLN 11 8.651 3.789 6.535 84 HA GLN 11 HA GLN 11 10.593 3.461 4.369 85 1HB GLN 11 HB2 GLN 11 12.002 2.776 6.699 86 2HB GLN 11 HB1 GLN 11 12.364 4.066 5.565 87 1HG GLN 11 HG2 GLN 11 10.815 5.567 6.846 88 2HG GLN 11 HG1 GLN 11 10.596 4.269 8.021 89 1HE2 GLN 11 HE21 GLN 11 13.145 6.336 6.561 90 2HE2 GLN 11 HE22 GLN 11 14.188 6.256 7.898 91 H CYS 12 HN CYS 12 10.277 1.497 3.745 92 HA CYS 12 HA CYS 12 9.653 -0.652 5.754 93 1HB CYS 12 HB2 CYS 12 7.912 -1.456 4.385 94 2HB CYS 12 HB1 CYS 12 7.731 0.294 4.336 95 HG CYS 12 HG CYS 12 9.472 -0.621 2.043 96 H ALA 13 HN ALA 13 9.492 -2.735 3.896 97 HA ALA 13 HA ALA 13 12.329 -3.214 3.439 98 1HB ALA 13 HB1 ALA 13 9.877 -4.706 3.944 99 2HB ALA 13 HB2 ALA 13 11.541 -5.149 4.328 100 3HB ALA 13 HB3 ALA 13 10.888 -5.476 2.722 101 H ALA 14 HN ALA 14 12.943 -2.151 1.512 102 HA ALA 14 HA ALA 14 11.545 -1.852 -0.865 103 1HB ALA 14 HB1 ALA 14 14.411 -2.621 -0.367 104 2HB ALA 14 HB2 ALA 14 13.758 -1.006 -0.647 105 3HB ALA 14 HB3 ALA 14 13.803 -2.181 -1.963 106 H GLY 15 HN GLY 15 10.672 -3.170 -2.265 107 1HA GLY 15 HA2 GLY 15 10.572 -5.079 -3.719 108 2HA GLY 15 HA1 GLY 15 11.719 -5.883 -2.656 109 H GLN 16 HN GLN 16 9.513 -4.396 -0.717 110 HA GLN 16 HA GLN 16 8.083 -6.955 -0.233 111 1HB GLN 16 HB2 GLN 16 7.700 -5.961 1.928 112 2HB GLN 16 HB1 GLN 16 9.362 -5.596 1.478 113 1HG GLN 16 HG2 GLN 16 8.844 -3.450 1.935 114 2HG GLN 16 HG1 GLN 16 7.963 -3.462 0.411 115 1HE2 GLN 16 HE21 GLN 16 7.513 -4.311 3.874 116 2HE2 GLN 16 HE22 GLN 16 5.888 -3.840 3.933 117 H THR 17 HN THR 17 5.960 -7.169 -1.048 118 HA THR 17 HA THR 17 4.676 -5.187 -2.593 119 HB THR 17 HB THR 17 2.854 -6.638 -2.666 120 HG1 THR 17 HG1 THR 17 2.077 -7.601 -0.941 121 1HG2 THR 17 HG21 THR 17 5.369 -7.786 -2.736 122 2HG2 THR 17 HG22 THR 17 3.867 -8.533 -3.291 123 3HG2 THR 17 HG23 THR 17 4.459 -8.840 -1.656 124 H VAL 18 HN VAL 18 2.183 -5.013 -1.925 125 HA VAL 18 HA VAL 18 1.907 -2.844 -0.018 126 HB VAL 18 HB VAL 18 0.027 -4.732 -1.369 127 1HG1 VAL 18 HG11 VAL 18 -0.347 -2.280 0.205 128 2HG1 VAL 18 HG12 VAL 18 -1.400 -3.684 0.023 129 3HG1 VAL 18 HG13 VAL 18 -1.344 -2.453 -1.240 130 1HG2 VAL 18 HG21 VAL 18 1.615 -3.614 -2.888 131 2HG2 VAL 18 HG22 VAL 18 1.031 -2.061 -2.294 132 3HG2 VAL 18 HG23 VAL 18 -0.054 -3.137 -3.176 133 H HIS 19 HN HIS 19 0.549 -6.122 -0.311 134 HA HIS 19 HA HIS 19 -0.630 -6.411 2.240 135 1HB HIS 19 HB2 HIS 19 -0.588 -7.975 0.191 136 2HB HIS 19 HB1 HIS 19 1.046 -8.424 0.670 137 HD1 HIS 19 HD1 HIS 19 -2.008 -9.948 0.839 138 HD2 HIS 19 HD2 HIS 19 0.670 -8.908 3.859 139 HE1 HIS 19 HE1 HIS 19 -2.542 -11.438 2.818 140 H GLU 20 HN GLU 20 2.594 -6.327 1.002 141 HA GLU 20 HA GLU 20 3.865 -7.174 3.551 142 1HB GLU 20 HB2 GLU 20 4.725 -6.315 0.807 143 2HB GLU 20 HB1 GLU 20 5.906 -6.357 2.113 144 1HG GLU 20 HG2 GLU 20 5.105 -8.740 2.564 145 2HG GLU 20 HG1 GLU 20 4.256 -8.642 1.021 146 H LEU 21 HN LEU 21 3.314 -4.210 1.657 147 HA LEU 21 HA LEU 21 4.777 -2.418 3.361 148 1HB LEU 21 HB2 LEU 21 3.659 -2.265 0.967 149 2HB LEU 21 HB1 LEU 21 2.256 -1.716 1.864 150 HG LEU 21 HG LEU 21 3.893 0.070 0.956 151 1HD1 LEU 21 HD11 LEU 21 2.158 0.718 2.437 152 2HD1 LEU 21 HD12 LEU 21 3.637 1.392 3.116 153 3HD1 LEU 21 HD13 LEU 21 2.934 -0.066 3.812 154 1HD2 LEU 21 HD21 LEU 21 5.413 -0.473 3.497 155 2HD2 LEU 21 HD22 LEU 21 5.904 0.467 2.089 156 3HD2 LEU 21 HD23 LEU 21 5.875 -1.291 2.006 157 H LEU 22 HN LEU 22 1.251 -2.930 3.107 158 HA LEU 22 HA LEU 22 0.319 -1.537 5.323 159 1HB LEU 22 HB2 LEU 22 -0.402 -4.268 4.182 160 2HB LEU 22 HB1 LEU 22 -1.420 -3.409 5.338 161 HG LEU 22 HG LEU 22 -0.616 -2.482 2.578 162 1HD1 LEU 22 HD11 LEU 22 -2.732 -3.057 1.940 163 2HD1 LEU 22 HD12 LEU 22 -3.437 -2.553 3.475 164 3HD1 LEU 22 HD13 LEU 22 -2.663 -4.132 3.337 165 1HD2 LEU 22 HD21 LEU 22 -1.864 -1.083 4.926 166 2HD2 LEU 22 HD22 LEU 22 -2.237 -0.576 3.279 167 3HD2 LEU 22 HD23 LEU 22 -0.573 -0.526 3.862 168 H GLU 23 HN GLU 23 1.239 -4.960 5.255 169 HA GLU 23 HA GLU 23 1.048 -5.520 8.012 170 1HB GLU 23 HB2 GLU 23 1.456 -7.034 6.011 171 2HB GLU 23 HB1 GLU 23 3.153 -6.563 6.108 172 1HG GLU 23 HG2 GLU 23 2.234 -7.289 8.732 173 2HG GLU 23 HG1 GLU 23 1.828 -8.584 7.605 174 H GLN 24 HN GLN 24 3.842 -4.197 6.177 175 HA GLN 24 HA GLN 24 5.666 -4.137 8.398 176 1HB GLN 24 HB2 GLN 24 6.247 -3.946 5.971 177 2HB GLN 24 HB1 GLN 24 5.490 -2.353 5.942 178 1HG GLN 24 HG2 GLN 24 7.861 -2.007 6.247 179 2HG GLN 24 HG1 GLN 24 7.079 -1.664 7.790 180 1HE2 GLN 24 HE21 GLN 24 9.590 -3.456 6.359 181 2HE2 GLN 24 HE22 GLN 24 9.863 -4.551 7.627 182 H LEU 25 HN LEU 25 3.358 -1.759 7.084 183 HA LEU 25 HA LEU 25 4.025 0.335 8.959 184 1HB LEU 25 HB2 LEU 25 1.513 -0.209 7.346 185 2HB LEU 25 HB1 LEU 25 2.032 1.352 7.977 186 HG LEU 25 HG LEU 25 3.165 -0.235 5.703 187 1HD1 LEU 25 HD11 LEU 25 1.772 1.450 4.924 188 2HD1 LEU 25 HD12 LEU 25 3.351 2.234 4.880 189 3HD1 LEU 25 HD13 LEU 25 2.238 2.567 6.207 190 1HD2 LEU 25 HD21 LEU 25 5.118 1.472 5.842 191 2HD2 LEU 25 HD22 LEU 25 5.177 0.051 6.884 192 3HD2 LEU 25 HD23 LEU 25 4.672 1.608 7.543 193 H ASP 26 HN ASP 26 2.172 -2.569 9.084 194 HA ASP 26 HA ASP 26 1.203 -3.611 10.981 195 1HB ASP 26 HB2 ASP 26 2.733 -1.906 12.178 196 2HB ASP 26 HB1 ASP 26 1.290 -0.914 12.308 197 H GLN 27 HN GLN 27 -0.155 -2.175 8.761 198 HA GLN 27 HA GLN 27 -2.790 -1.756 10.125 199 1HB GLN 27 HB2 GLN 27 -2.821 -0.190 7.803 200 2HB GLN 27 HB1 GLN 27 -2.666 0.404 9.451 201 1HG GLN 27 HG2 GLN 27 -0.129 -0.011 9.173 202 2HG GLN 27 HG1 GLN 27 -0.472 -0.154 7.447 203 1HE2 GLN 27 HE21 GLN 27 -2.751 1.841 7.719 204 2HE2 GLN 27 HE22 GLN 27 -1.993 3.356 7.833 205 H ARG 28 HN ARG 28 -3.772 -3.649 9.533 206 HA ARG 28 HA ARG 28 -3.313 -5.106 7.148 207 1HB ARG 28 HB2 ARG 28 -5.575 -4.987 9.141 208 2HB ARG 28 HB1 ARG 28 -5.512 -6.188 7.846 209 1HG ARG 28 HG2 ARG 28 -4.376 -7.363 9.490 210 2HG ARG 28 HG1 ARG 28 -3.020 -6.500 8.760 211 1HD ARG 28 HD2 ARG 28 -2.721 -5.167 10.589 212 2HD ARG 28 HD1 ARG 28 -4.466 -4.999 10.869 213 HE ARG 28 HE ARG 28 -4.316 -6.842 12.334 214 1HH1 ARG 28 HH21 ARG 28 -1.359 -6.486 12.601 215 2HH1 ARG 28 HH22 ARG 28 -0.758 -8.042 12.135 216 1HH2 ARG 28 HH11 ARG 28 -3.721 -9.029 10.626 217 2HH2 ARG 28 HH12 ARG 28 -2.096 -9.484 11.020 218 H GLN 29 HN GLN 29 -5.655 -2.522 7.814 219 HA GLN 29 HA GLN 29 -7.019 -1.288 6.348 220 1HB GLN 29 HB2 GLN 29 -5.106 -2.600 4.399 221 2HB GLN 29 HB1 GLN 29 -6.245 -1.331 3.970 222 1HG GLN 29 HG2 GLN 29 -4.974 -0.304 6.206 223 2HG GLN 29 HG1 GLN 29 -3.677 -1.128 5.338 224 1HE2 GLN 29 HE21 GLN 29 -2.687 0.832 4.523 225 2HE2 GLN 29 HE22 GLN 29 -3.448 1.803 3.359 226 H ALA 30 HN ALA 30 -7.943 -3.697 7.288 227 HA ALA 30 HA ALA 30 -8.881 -5.822 6.059 228 1HB ALA 30 HB1 ALA 30 -11.204 -5.049 6.934 229 2HB ALA 30 HB2 ALA 30 -10.357 -3.575 7.403 230 3HB ALA 30 HB3 ALA 30 -9.861 -5.128 8.074 231 H GLY 31 HN GLY 31 -11.247 -3.280 5.567 232 1HA GLY 31 HA2 GLY 31 -11.462 -4.095 2.710 233 2HA GLY 31 HA1 GLY 31 -12.722 -3.272 3.634 234 H ALA 32 HN ALA 32 -9.477 -2.787 2.253 235 HA ALA 32 HA ALA 32 -10.191 0.100 1.892 236 1HB ALA 32 HB1 ALA 32 -7.370 -0.641 2.490 237 2HB ALA 32 HB2 ALA 32 -8.511 -0.812 3.821 238 3HB ALA 32 HB3 ALA 32 -8.300 0.753 3.036 239 H ALA 33 HN ALA 33 -8.832 1.142 0.225 240 HA ALA 33 HA ALA 33 -7.547 -0.730 -1.722 241 1HB ALA 33 HB1 ALA 33 -9.888 1.084 -2.043 242 2HB ALA 33 HB2 ALA 33 -9.507 -0.413 -2.895 243 3HB ALA 33 HB3 ALA 33 -8.718 1.093 -3.361 244 H LEU 34 HN LEU 34 -5.939 0.551 -3.126 245 HA LEU 34 HA LEU 34 -5.317 3.207 -1.960 246 1HB LEU 34 HB2 LEU 34 -3.791 2.278 -0.595 247 2HB LEU 34 HB1 LEU 34 -4.123 0.693 -1.273 248 HG LEU 34 HG LEU 34 -2.258 2.677 -2.603 249 1HD1 LEU 34 HD11 LEU 34 -1.691 1.763 -0.174 250 2HD1 LEU 34 HD12 LEU 34 -0.450 1.832 -1.425 251 3HD1 LEU 34 HD13 LEU 34 -1.259 0.305 -1.070 252 1HD2 LEU 34 HD21 LEU 34 -2.290 1.120 -4.240 253 2HD2 LEU 34 HD22 LEU 34 -3.343 0.084 -3.275 254 3HD2 LEU 34 HD23 LEU 34 -1.591 -0.029 -3.102 255 H ALA 35 HN ALA 35 -3.608 4.391 -3.154 256 HA ALA 35 HA ALA 35 -3.251 3.395 -5.969 257 1HB ALA 35 HB1 ALA 35 -4.863 5.460 -5.237 258 2HB ALA 35 HB2 ALA 35 -4.024 5.405 -6.787 259 3HB ALA 35 HB3 ALA 35 -3.338 6.319 -5.444 260 H ILE 36 HN ILE 36 -1.094 2.975 -6.182 261 HA ILE 36 HA ILE 36 0.822 4.647 -4.616 262 HB ILE 36 HB ILE 36 1.057 1.979 -6.050 263 1HG1 ILE 36 HG12 ILE 36 0.754 2.794 -3.150 264 2HG1 ILE 36 HG11 ILE 36 -0.355 1.814 -4.104 265 1HG2 ILE 36 HG21 ILE 36 3.109 3.729 -5.487 266 2HG2 ILE 36 HG22 ILE 36 3.292 1.979 -5.599 267 3HG2 ILE 36 HG23 ILE 36 3.064 2.742 -4.027 268 1HD1 ILE 36 HD11 ILE 36 2.443 1.057 -3.222 269 2HD1 ILE 36 HD12 ILE 36 1.485 0.116 -4.367 270 3HD1 ILE 36 HD13 ILE 36 0.927 0.320 -2.707 271 H ASN 37 HN ASN 37 2.261 5.975 -5.713 272 HA ASN 37 HA ASN 37 3.110 7.210 -7.534 273 1HB ASN 37 HB2 ASN 37 3.198 4.342 -8.516 274 2HB ASN 37 HB1 ASN 37 4.110 5.670 -9.234 275 1HD2 ASN 37 HD21 ASN 37 4.846 7.060 -6.830 276 2HD2 ASN 37 HD22 ASN 37 5.907 6.072 -5.945 277 H GLN 38 HN GLN 38 0.252 7.153 -7.510 278 HA GLN 38 HA GLN 38 -1.476 7.907 -8.911 279 1HB GLN 38 HB2 GLN 38 -0.825 8.949 -10.843 280 2HB GLN 38 HB1 GLN 38 0.769 8.697 -10.147 281 1HG GLN 38 HG2 GLN 38 1.312 7.612 -12.046 282 2HG GLN 38 HG1 GLN 38 0.234 6.317 -11.539 283 1HE2 GLN 38 HE21 GLN 38 -0.093 6.087 -13.986 284 2HE2 GLN 38 HE22 GLN 38 -1.256 7.077 -14.728 285 H GLN 39 HN GLN 39 -0.256 4.804 -8.987 286 HA GLN 39 HA GLN 39 -2.301 3.972 -10.999 287 1HB GLN 39 HB2 GLN 39 -1.096 1.775 -10.901 288 2HB GLN 39 HB1 GLN 39 -0.075 3.106 -11.435 289 1HG GLN 39 HG2 GLN 39 1.216 3.048 -9.545 290 2HG GLN 39 HG1 GLN 39 -0.125 2.564 -8.514 291 1HE2 GLN 39 HE21 GLN 39 2.650 1.337 -8.894 292 2HE2 GLN 39 HE22 GLN 39 2.343 -0.293 -9.251 293 H ILE 40 HN ILE 40 -4.234 3.669 -9.987 294 HA ILE 40 HA ILE 40 -4.447 2.878 -7.196 295 HB ILE 40 HB ILE 40 -6.310 3.217 -9.541 296 1HG1 ILE 40 HG12 ILE 40 -7.316 4.827 -7.742 297 2HG1 ILE 40 HG11 ILE 40 -5.773 4.605 -6.918 298 1HG2 ILE 40 HG21 ILE 40 -8.000 2.861 -7.408 299 2HG2 ILE 40 HG22 ILE 40 -6.762 1.648 -7.077 300 3HG2 ILE 40 HG23 ILE 40 -7.639 1.619 -8.607 301 1HD1 ILE 40 HD11 ILE 40 -6.231 5.716 -9.699 302 2HD1 ILE 40 HD12 ILE 40 -4.641 5.251 -9.096 303 3HD1 ILE 40 HD13 ILE 40 -5.536 6.549 -8.309 304 H VAL 41 HN VAL 41 -3.950 0.810 -6.562 305 HA VAL 41 HA VAL 41 -4.271 -1.416 -8.524 306 HB VAL 41 HB VAL 41 -2.981 -1.330 -5.792 307 1HG1 VAL 41 HG11 VAL 41 -1.847 -3.376 -6.599 308 2HG1 VAL 41 HG12 VAL 41 -2.756 -3.278 -8.106 309 3HG1 VAL 41 HG13 VAL 41 -3.602 -3.572 -6.586 310 1HG2 VAL 41 HG21 VAL 41 -2.031 0.252 -7.554 311 2HG2 VAL 41 HG22 VAL 41 -1.651 -1.180 -8.513 312 3HG2 VAL 41 HG23 VAL 41 -0.895 -0.945 -6.937 313 HA PRO 42 HA PRO 42 -7.588 -2.841 -6.121 314 1HB PRO 42 HB2 PRO 42 -7.722 -5.389 -7.072 315 2HB PRO 42 HB1 PRO 42 -8.312 -3.962 -7.923 316 1HG PRO 42 HG2 PRO 42 -5.966 -5.624 -8.455 317 2HG PRO 42 HG1 PRO 42 -6.856 -4.555 -9.547 318 1HD PRO 42 HD2 PRO 42 -4.402 -4.036 -8.241 319 2HD PRO 42 HD1 PRO 42 -5.346 -2.910 -9.234 320 H ARG 43 HN ARG 43 -7.536 -3.429 -4.165 321 HA ARG 43 HA ARG 43 -5.727 -4.165 -2.361 322 1HB ARG 43 HB2 ARG 43 -7.566 -5.748 -1.393 323 2HB ARG 43 HB1 ARG 43 -7.938 -4.043 -1.605 324 1HG ARG 43 HG2 ARG 43 -8.833 -4.792 -3.954 325 2HG ARG 43 HG1 ARG 43 -8.868 -6.398 -3.227 326 1HD ARG 43 HD2 ARG 43 -10.644 -5.889 -1.891 327 2HD ARG 43 HD1 ARG 43 -10.040 -4.256 -1.551 328 HE ARG 43 HE ARG 43 -10.939 -4.682 -4.319 329 1HH1 ARG 43 HH11 ARG 43 -13.310 -5.113 -2.503 330 2HH1 ARG 43 HH12 ARG 43 -13.947 -3.508 -2.371 331 1HH2 ARG 43 HH21 ARG 43 -11.072 -1.976 -3.556 332 2HH2 ARG 43 HH22 ARG 43 -12.682 -1.736 -2.967 333 H GLU 44 HN GLU 44 -7.395 -6.694 -4.192 334 HA GLU 44 HA GLU 44 -6.210 -8.995 -3.349 335 1HB GLU 44 HB2 GLU 44 -7.934 -8.818 -4.995 336 2HB GLU 44 HB1 GLU 44 -6.863 -7.954 -6.097 337 1HG GLU 44 HG2 GLU 44 -7.072 -10.318 -6.782 338 2HG GLU 44 HG1 GLU 44 -5.422 -9.970 -6.263 339 H GLN 45 HN GLN 45 -4.754 -6.796 -5.773 340 HA GLN 45 HA GLN 45 -2.399 -8.419 -6.135 341 1HB GLN 45 HB2 GLN 45 -2.982 -5.496 -6.706 342 2HB GLN 45 HB1 GLN 45 -1.599 -6.389 -7.342 343 1HG GLN 45 HG2 GLN 45 -4.298 -7.595 -7.729 344 2HG GLN 45 HG1 GLN 45 -3.889 -6.188 -8.712 345 1HE2 GLN 45 HE21 GLN 45 -1.968 -6.369 -10.141 346 2HE2 GLN 45 HE22 GLN 45 -1.389 -7.896 -10.604 347 H TRP 46 HN TRP 46 -3.214 -6.054 -3.674 348 HA TRP 46 HA TRP 46 -0.850 -4.964 -2.840 349 1HB TRP 46 HB2 TRP 46 -3.068 -6.382 -1.340 350 2HB TRP 46 HB1 TRP 46 -1.806 -5.479 -0.506 351 HD1 TRP 46 HD1 TRP 46 -2.517 -3.842 -3.718 352 HE1 TRP 46 HE1 TRP 46 -4.022 -1.778 -3.380 353 HE3 TRP 46 HE3 TRP 46 -4.085 -4.667 1.071 354 HZ2 TRP 46 HZ2 TRP 46 -5.676 -0.629 -1.345 355 HZ3 TRP 46 HZ3 TRP 46 -5.630 -3.078 2.178 356 HH2 TRP 46 HH2 TRP 46 -6.426 -1.060 0.970 357 H ALA 47 HN ALA 47 -1.777 -8.355 -2.654 358 HA ALA 47 HA ALA 47 0.547 -9.147 -1.057 359 1HB ALA 47 HB1 ALA 47 -0.506 -11.246 -1.142 360 2HB ALA 47 HB2 ALA 47 -1.242 -10.907 -2.710 361 3HB ALA 47 HB3 ALA 47 -1.852 -10.111 -1.259 362 H GLN 48 HN GLN 48 -0.072 -8.591 -4.397 363 HA GLN 48 HA GLN 48 2.446 -10.052 -5.126 364 1HB GLN 48 HB2 GLN 48 -0.086 -9.563 -6.743 365 2HB GLN 48 HB1 GLN 48 1.331 -10.450 -7.307 366 1HG GLN 48 HG2 GLN 48 0.604 -11.574 -4.801 367 2HG GLN 48 HG1 GLN 48 -0.880 -11.416 -5.743 368 1HE2 GLN 48 HE21 GLN 48 2.089 -13.208 -5.439 369 2HE2 GLN 48 HE22 GLN 48 1.864 -14.207 -6.793 370 H HIS 49 HN HIS 49 1.451 -7.159 -4.368 371 HA HIS 49 HA HIS 49 2.470 -5.689 -6.749 372 1HB HIS 49 HB2 HIS 49 0.178 -5.327 -5.746 373 2HB HIS 49 HB1 HIS 49 0.987 -4.720 -4.299 374 HD1 HIS 49 HD1 HIS 49 0.473 -3.919 -7.953 375 HD2 HIS 49 HD2 HIS 49 2.136 -2.156 -4.567 376 HE1 HIS 49 HE1 HIS 49 0.974 -1.517 -8.574 377 H ILE 50 HN ILE 50 4.702 -6.278 -6.068 378 HA ILE 50 HA ILE 50 6.002 -5.738 -3.671 379 HB ILE 50 HB ILE 50 6.885 -5.523 -6.550 380 1HG1 ILE 50 HG12 ILE 50 5.919 -7.686 -5.617 381 2HG1 ILE 50 HG11 ILE 50 7.561 -7.806 -6.252 382 1HG2 ILE 50 HG21 ILE 50 9.024 -6.250 -4.840 383 2HG2 ILE 50 HG22 ILE 50 8.270 -4.832 -4.112 384 3HG2 ILE 50 HG23 ILE 50 8.862 -4.762 -5.772 385 1HD1 ILE 50 HD11 ILE 50 8.501 -8.058 -4.164 386 2HD1 ILE 50 HD12 ILE 50 6.921 -8.771 -3.839 387 3HD1 ILE 50 HD13 ILE 50 7.251 -7.103 -3.369 388 H VAL 51 HN VAL 51 6.516 -3.952 -2.614 389 HA VAL 51 HA VAL 51 5.905 -1.282 -3.715 390 HB VAL 51 HB VAL 51 6.948 -2.222 -1.021 391 1HG1 VAL 51 HG11 VAL 51 5.181 0.126 -1.455 392 2HG1 VAL 51 HG12 VAL 51 6.899 0.277 -1.817 393 3HG1 VAL 51 HG13 VAL 51 6.376 -0.154 -0.195 394 1HG2 VAL 51 HG21 VAL 51 4.747 -2.619 -0.377 395 2HG2 VAL 51 HG22 VAL 51 4.723 -3.210 -2.031 396 3HG2 VAL 51 HG23 VAL 51 4.073 -1.616 -1.651 397 H GLN 52 HN GLN 52 7.505 0.302 -4.094 398 HA GLN 52 HA GLN 52 10.308 -0.723 -4.280 399 1HB GLN 52 HB2 GLN 52 8.773 1.524 -5.588 400 2HB GLN 52 HB1 GLN 52 10.473 1.179 -5.902 401 1HG GLN 52 HG2 GLN 52 9.681 -0.179 -7.550 402 2HG GLN 52 HG1 GLN 52 9.338 -1.301 -6.233 403 1HE2 GLN 52 HE21 GLN 52 7.465 -2.101 -7.539 404 2HE2 GLN 52 HE22 GLN 52 6.025 -1.203 -7.576 405 H ASP 53 HN ASP 53 11.995 0.367 -3.338 406 HA ASP 53 HA ASP 53 11.866 1.977 -1.100 407 1HB ASP 53 HB2 ASP 53 14.115 2.609 -1.704 408 2HB ASP 53 HB1 ASP 53 13.833 0.912 -2.088 409 H GLY 54 HN GLY 54 10.409 3.627 -1.105 410 1HA GLY 54 HA2 GLY 54 10.296 6.095 -1.403 411 2HA GLY 54 HA1 GLY 54 10.870 5.851 -3.059 412 H ASP 55 HN ASP 55 8.811 3.416 -1.998 413 HA ASP 55 HA ASP 55 6.857 3.739 -3.987 414 1HB ASP 55 HB2 ASP 55 7.102 1.685 -2.922 415 2HB ASP 55 HB1 ASP 55 6.957 2.396 -1.314 416 H GLN 56 HN GLN 56 5.136 5.130 -4.208 417 HA GLN 56 HA GLN 56 4.275 6.777 -1.869 418 1HB GLN 56 HB2 GLN 56 4.699 8.093 -3.792 419 2HB GLN 56 HB1 GLN 56 4.027 6.874 -4.876 420 1HG GLN 56 HG2 GLN 56 1.950 7.713 -4.687 421 2HG GLN 56 HG1 GLN 56 2.064 7.802 -2.935 422 1HE2 GLN 56 HE21 GLN 56 1.940 9.906 -2.160 423 2HE2 GLN 56 HE22 GLN 56 2.468 11.288 -2.991 424 H ILE 57 HN ILE 57 2.008 6.785 -1.246 425 HA ILE 57 HA ILE 57 0.373 4.611 -2.483 426 HB ILE 57 HB ILE 57 1.075 5.074 0.399 427 1HG1 ILE 57 HG12 ILE 57 1.366 2.678 -1.422 428 2HG1 ILE 57 HG11 ILE 57 2.678 3.729 -0.884 429 1HG2 ILE 57 HG21 ILE 57 -1.164 4.565 0.628 430 2HG2 ILE 57 HG22 ILE 57 -0.478 2.942 0.576 431 3HG2 ILE 57 HG23 ILE 57 -1.207 3.641 -0.871 432 1HD1 ILE 57 HD11 ILE 57 2.518 3.005 1.338 433 2HD1 ILE 57 HD12 ILE 57 2.236 1.520 0.429 434 3HD1 ILE 57 HD13 ILE 57 0.875 2.402 1.123 435 H LEU 58 HN LEU 58 -1.818 4.945 -2.432 436 HA LEU 58 HA LEU 58 -2.816 7.499 -1.244 437 1HB LEU 58 HB2 LEU 58 -2.726 7.057 -3.841 438 2HB LEU 58 HB1 LEU 58 -4.121 6.035 -3.520 439 HG LEU 58 HG LEU 58 -5.071 8.120 -4.055 440 1HD1 LEU 58 HD11 LEU 58 -5.657 7.065 -1.721 441 2HD1 LEU 58 HD12 LEU 58 -6.272 8.662 -2.139 442 3HD1 LEU 58 HD13 LEU 58 -4.864 8.506 -1.088 443 1HD2 LEU 58 HD21 LEU 58 -3.393 9.704 -4.133 444 2HD2 LEU 58 HD22 LEU 58 -2.686 9.185 -2.603 445 3HD2 LEU 58 HD23 LEU 58 -4.149 10.169 -2.609 446 H LEU 59 HN LEU 59 -4.503 7.129 0.304 447 HA LEU 59 HA LEU 59 -5.274 4.252 0.591 448 1HB LEU 59 HB2 LEU 59 -4.083 5.311 2.456 449 2HB LEU 59 HB1 LEU 59 -5.309 6.575 2.542 450 HG LEU 59 HG LEU 59 -5.480 4.555 4.184 451 1HD1 LEU 59 HD11 LEU 59 -7.506 5.467 4.493 452 2HD1 LEU 59 HD12 LEU 59 -8.115 4.646 3.056 453 3HD1 LEU 59 HD13 LEU 59 -7.379 6.243 2.916 454 1HD2 LEU 59 HD21 LEU 59 -5.208 2.885 2.273 455 2HD2 LEU 59 HD22 LEU 59 -6.838 3.329 1.771 456 3HD2 LEU 59 HD23 LEU 59 -6.576 2.592 3.347 457 H PHE 60 HN PHE 60 -7.288 3.688 0.040 458 HA PHE 60 HA PHE 60 -9.425 5.768 -0.166 459 1HB PHE 60 HB2 PHE 60 -9.100 2.986 -1.346 460 2HB PHE 60 HB1 PHE 60 -10.451 4.066 -1.673 461 HD1 PHE 60 HD1 PHE 60 -8.495 2.890 -3.723 462 HD2 PHE 60 HD2 PHE 60 -8.541 6.608 -1.575 463 HE1 PHE 60 HE1 PHE 60 -7.214 3.957 -5.553 464 HE2 PHE 60 HE2 PHE 60 -7.251 7.680 -3.407 465 HZ PHE 60 HZ PHE 60 -6.592 6.352 -5.399 466 H GLN 61 HN GLN 61 -11.321 5.492 1.058 467 HA GLN 61 HA GLN 61 -11.324 3.254 3.040 468 1HB GLN 61 HB2 GLN 61 -12.848 4.731 4.262 469 2HB GLN 61 HB1 GLN 61 -11.442 5.663 3.744 470 1HG GLN 61 HG2 GLN 61 -12.851 7.094 2.722 471 2HG GLN 61 HG1 GLN 61 -13.260 5.800 1.599 472 1HE2 GLN 61 HE21 GLN 61 -14.083 6.647 5.020 473 2HE2 GLN 61 HE22 GLN 61 -15.742 6.325 4.852 474 H VAL 62 HN VAL 62 -13.007 1.751 3.055 475 HA VAL 62 HA VAL 62 -15.606 2.067 1.971 476 HB VAL 62 HB VAL 62 -14.249 2.320 -0.155 477 1HG1 VAL 62 HG11 VAL 62 -13.760 -0.610 -0.173 478 2HG1 VAL 62 HG12 VAL 62 -12.679 0.366 0.821 479 3HG1 VAL 62 HG13 VAL 62 -12.825 0.694 -0.905 480 1HG2 VAL 62 HG21 VAL 62 -16.638 1.175 0.156 481 2HG2 VAL 62 HG22 VAL 62 -15.762 -0.243 -0.422 482 3HG2 VAL 62 HG23 VAL 62 -15.833 1.212 -1.415 483 H ILE 63 HN ILE 63 -16.675 0.512 3.074 484 HA ILE 63 HA ILE 63 -15.368 -2.156 3.484 485 HB ILE 63 HB ILE 63 -16.751 -0.233 5.273 486 1HG1 ILE 63 HG12 ILE 63 -15.421 -1.424 6.973 487 2HG1 ILE 63 HG11 ILE 63 -14.981 -2.644 5.777 488 1HG2 ILE 63 HG21 ILE 63 -17.675 -3.068 5.039 489 2HG2 ILE 63 HG22 ILE 63 -18.582 -1.627 5.502 490 3HG2 ILE 63 HG23 ILE 63 -17.495 -2.397 6.658 491 1HD1 ILE 63 HD11 ILE 63 -14.325 0.314 5.598 492 2HD1 ILE 63 HD12 ILE 63 -13.884 -0.908 4.406 493 3HD1 ILE 63 HD13 ILE 63 -13.186 -0.964 6.025 494 H ALA 64 HN ALA 64 -16.319 -3.062 1.615 495 HA ALA 64 HA ALA 64 -19.296 -2.896 1.467 496 1HB ALA 64 HB1 ALA 64 -18.225 -1.892 -0.398 497 2HB ALA 64 HB2 ALA 64 -18.762 -3.473 -0.968 498 3HB ALA 64 HB3 ALA 64 -17.069 -3.217 -0.540 499 H GLY 65 HN GLY 65 -20.421 -4.838 0.761 500 1HA GLY 65 HA2 GLY 65 -19.857 -7.174 2.171 501 2HA GLY 65 HA1 GLY 65 -20.819 -7.154 0.692 502 H GLY 66 HN GLY 66 -18.832 -9.170 1.599 503 1HA GLY 66 HA2 GLY 66 -17.533 -9.597 -0.927 504 2HA GLY 66 HA1 GLY 66 -16.368 -8.982 0.246 Start of MODEL 18 1 1H MET 1 HT1 MET 1 -14.833 1.352 -1.277 2 2H MET 1 HT2 MET 1 -13.613 1.088 -2.432 3 3H MET 1 HT3 MET 1 -14.499 2.537 -2.444 4 HA MET 1 HA MET 1 -13.573 2.861 -0.070 5 1HB MET 1 HB2 MET 1 -12.269 1.157 0.601 6 2HB MET 1 HB1 MET 1 -12.528 0.360 -0.941 7 1HG MET 1 HG2 MET 1 -10.630 1.594 -1.899 8 2HG MET 1 HG1 MET 1 -10.367 2.393 -0.355 9 1HE MET 1 HE1 MET 1 -10.247 0.892 1.891 10 2HE MET 1 HE2 MET 1 -8.805 1.674 1.253 11 3HE MET 1 HE3 MET 1 -8.704 0.028 1.880 12 H GLN 2 HN GLN 2 -11.440 4.114 0.007 13 HA GLN 2 HA GLN 2 -10.489 4.968 -2.664 14 1HB GLN 2 HB2 GLN 2 -12.322 6.466 -2.138 15 2HB GLN 2 HB1 GLN 2 -11.658 6.752 -0.528 16 1HG GLN 2 HG2 GLN 2 -10.190 8.284 -1.290 17 2HG GLN 2 HG1 GLN 2 -9.697 7.247 -2.626 18 1HE2 GLN 2 HE21 GLN 2 -12.978 8.529 -1.934 19 2HE2 GLN 2 HE22 GLN 2 -13.118 9.390 -3.390 20 H ILE 3 HN ILE 3 -8.399 5.833 -2.595 21 HA ILE 3 HA ILE 3 -7.119 5.922 0.063 22 HB ILE 3 HB ILE 3 -5.808 4.088 -0.437 23 1HG1 ILE 3 HG12 ILE 3 -6.056 5.095 -3.206 24 2HG1 ILE 3 HG11 ILE 3 -4.650 4.443 -2.380 25 1HG2 ILE 3 HG21 ILE 3 -7.251 2.335 -1.403 26 2HG2 ILE 3 HG22 ILE 3 -8.265 3.570 -2.143 27 3HG2 ILE 3 HG23 ILE 3 -8.221 3.403 -0.389 28 1HD1 ILE 3 HD11 ILE 3 -6.966 2.817 -3.462 29 2HD1 ILE 3 HD12 ILE 3 -5.542 2.162 -2.654 30 3HD1 ILE 3 HD13 ILE 3 -5.381 2.962 -4.217 31 H LEU 4 HN LEU 4 -4.712 6.394 -0.296 32 HA LEU 4 HA LEU 4 -4.355 8.225 -2.626 33 1HB LEU 4 HB2 LEU 4 -4.587 9.445 -0.470 34 2HB LEU 4 HB1 LEU 4 -3.270 8.475 0.198 35 HG LEU 4 HG LEU 4 -2.629 10.800 -0.774 36 1HD1 LEU 4 HD11 LEU 4 -0.528 9.979 -1.068 37 2HD1 LEU 4 HD12 LEU 4 -1.067 8.722 -2.185 38 3HD1 LEU 4 HD13 LEU 4 -1.252 8.497 -0.446 39 1HD2 LEU 4 HD21 LEU 4 -2.627 11.081 -3.084 40 2HD2 LEU 4 HD22 LEU 4 -4.106 10.152 -2.866 41 3HD2 LEU 4 HD23 LEU 4 -2.634 9.345 -3.389 42 H PHE 5 HN PHE 5 -3.053 6.971 -3.908 43 HA PHE 5 HA PHE 5 -0.908 5.405 -2.574 44 1HB PHE 5 HB2 PHE 5 -2.505 4.215 -4.013 45 2HB PHE 5 HB1 PHE 5 -2.154 5.318 -5.342 46 HD1 PHE 5 HD1 PHE 5 -0.479 4.788 -6.872 47 HD2 PHE 5 HD2 PHE 5 -0.459 2.941 -2.997 48 HE1 PHE 5 HE1 PHE 5 1.412 3.349 -7.570 49 HE2 PHE 5 HE2 PHE 5 1.437 1.499 -3.692 50 HZ PHE 5 HZ PHE 5 2.372 1.700 -5.983 51 H ASN 6 HN ASN 6 0.831 6.873 -2.393 52 HA ASN 6 HA ASN 6 2.572 8.239 -3.141 53 1HB ASN 6 HB2 ASN 6 2.499 6.255 -4.843 54 2HB ASN 6 HB1 ASN 6 1.777 7.429 -5.941 55 1HD2 ASN 6 HD21 ASN 6 4.555 7.428 -3.621 56 2HD2 ASN 6 HD22 ASN 6 5.638 8.166 -4.700 57 H ASP 7 HN ASP 7 0.522 9.616 -2.480 58 HA ASP 7 HA ASP 7 -0.615 11.654 -2.751 59 1HB ASP 7 HB2 ASP 7 1.106 12.979 -3.238 60 2HB ASP 7 HB1 ASP 7 1.909 11.694 -4.127 61 H GLN 8 HN GLN 8 -1.128 9.145 -4.526 62 HA GLN 8 HA GLN 8 -2.676 10.635 -6.591 63 1HB GLN 8 HB2 GLN 8 -1.786 7.734 -6.556 64 2HB GLN 8 HB1 GLN 8 -2.545 8.568 -7.910 65 1HG GLN 8 HG2 GLN 8 -0.420 10.221 -7.283 66 2HG GLN 8 HG1 GLN 8 0.246 8.609 -7.027 67 1HE2 GLN 8 HE21 GLN 8 0.265 7.117 -8.903 68 2HE2 GLN 8 HE22 GLN 8 0.113 7.718 -10.483 69 H ALA 9 HN ALA 9 -4.856 10.700 -6.036 70 HA ALA 9 HA ALA 9 -5.938 9.025 -3.944 71 1HB ALA 9 HB1 ALA 9 -7.994 10.131 -5.570 72 2HB ALA 9 HB2 ALA 9 -6.664 11.290 -5.532 73 3HB ALA 9 HB3 ALA 9 -7.391 10.733 -4.025 74 H MET 10 HN MET 10 -7.354 7.271 -4.124 75 HA MET 10 HA MET 10 -7.737 6.038 -6.846 76 1HB MET 10 HB2 MET 10 -5.802 5.289 -5.096 77 2HB MET 10 HB1 MET 10 -7.159 4.347 -4.495 78 1HG MET 10 HG2 MET 10 -6.135 2.915 -6.024 79 2HG MET 10 HG1 MET 10 -7.486 3.593 -6.921 80 1HE MET 10 HE1 MET 10 -4.174 4.149 -5.662 81 2HE MET 10 HE2 MET 10 -3.335 5.238 -6.761 82 3HE MET 10 HE3 MET 10 -3.294 3.503 -7.053 83 H GLN 11 HN GLN 11 -9.088 3.969 -6.501 84 HA GLN 11 HA GLN 11 -10.877 4.020 -4.210 85 1HB GLN 11 HB2 GLN 11 -12.507 3.630 -6.526 86 2HB GLN 11 HB1 GLN 11 -12.675 4.833 -5.257 87 1HG GLN 11 HG2 GLN 11 -11.224 6.375 -6.411 88 2HG GLN 11 HG1 GLN 11 -10.758 5.142 -7.583 89 1HE2 GLN 11 HE21 GLN 11 -13.706 6.861 -6.410 90 2HE2 GLN 11 HE22 GLN 11 -14.481 6.868 -7.920 91 H CYS 12 HN CYS 12 -10.887 2.061 -3.579 92 HA CYS 12 HA CYS 12 -10.997 -0.240 -5.467 93 1HB CYS 12 HB2 CYS 12 -9.026 -1.179 -4.059 94 2HB CYS 12 HB1 CYS 12 -8.674 0.060 -5.255 95 HG CYS 12 HG CYS 12 -9.013 1.735 -3.030 96 H ALA 13 HN ALA 13 -10.384 -2.167 -3.468 97 HA ALA 13 HA ALA 13 -12.971 -2.291 -2.168 98 1HB ALA 13 HB1 ALA 13 -11.854 -4.146 -3.424 99 2HB ALA 13 HB2 ALA 13 -12.322 -4.601 -1.784 100 3HB ALA 13 HB3 ALA 13 -10.641 -4.208 -2.145 101 H ALA 14 HN ALA 14 -13.185 -1.188 -0.249 102 HA ALA 14 HA ALA 14 -11.060 -0.766 1.643 103 1HB ALA 14 HB1 ALA 14 -12.682 0.471 2.591 104 2HB ALA 14 HB2 ALA 14 -13.682 -0.958 2.847 105 3HB ALA 14 HB3 ALA 14 -13.769 -0.082 1.317 106 H GLY 15 HN GLY 15 -10.444 -2.019 3.376 107 1HA GLY 15 HA2 GLY 15 -10.564 -3.820 4.938 108 2HA GLY 15 HA1 GLY 15 -11.933 -4.448 4.029 109 H GLN 16 HN GLN 16 -9.752 -3.602 1.756 110 HA GLN 16 HA GLN 16 -8.827 -6.389 1.426 111 1HB GLN 16 HB2 GLN 16 -8.719 -5.805 -0.818 112 2HB GLN 16 HB1 GLN 16 -9.945 -4.673 -0.263 113 1HG GLN 16 HG2 GLN 16 -8.095 -2.985 0.097 114 2HG GLN 16 HG1 GLN 16 -7.000 -4.110 -0.707 115 1HE2 GLN 16 HE21 GLN 16 -8.190 -5.010 -2.909 116 2HE2 GLN 16 HE22 GLN 16 -8.801 -3.769 -3.893 117 H THR 17 HN THR 17 -6.712 -6.887 2.187 118 HA THR 17 HA THR 17 -4.988 -5.076 3.419 119 HB THR 17 HB THR 17 -3.341 -6.722 3.293 120 HG1 THR 17 HG1 THR 17 -3.386 -8.255 1.520 121 1HG2 THR 17 HG21 THR 17 -4.432 -8.536 4.051 122 2HG2 THR 17 HG22 THR 17 -5.366 -8.703 2.565 123 3HG2 THR 17 HG23 THR 17 -5.887 -7.569 3.812 124 H VAL 18 HN VAL 18 -2.590 -5.184 2.368 125 HA VAL 18 HA VAL 18 -2.484 -3.121 0.296 126 HB VAL 18 HB VAL 18 -0.509 -4.975 1.548 127 1HG1 VAL 18 HG11 VAL 18 -0.288 -2.706 -0.265 128 2HG1 VAL 18 HG12 VAL 18 0.805 -4.064 -0.005 129 3HG1 VAL 18 HG13 VAL 18 0.831 -2.687 1.096 130 1HG2 VAL 18 HG21 VAL 18 -1.382 -2.231 2.410 131 2HG2 VAL 18 HG22 VAL 18 -0.179 -3.236 3.218 132 3HG2 VAL 18 HG23 VAL 18 -1.868 -3.738 3.182 133 H HIS 19 HN HIS 19 -1.299 -6.452 0.725 134 HA HIS 19 HA HIS 19 -0.489 -7.052 -1.913 135 1HB HIS 19 HB2 HIS 19 -0.319 -8.440 0.201 136 2HB HIS 19 HB1 HIS 19 -2.056 -8.707 0.112 137 HD1 HIS 19 HD1 HIS 19 1.068 -9.331 -1.985 138 HD2 HIS 19 HD2 HIS 19 -2.772 -10.867 -1.464 139 HE1 HIS 19 HE1 HIS 19 0.929 -11.416 -3.417 140 H GLU 20 HN GLU 20 -3.502 -6.623 -0.287 141 HA GLU 20 HA GLU 20 -5.191 -7.574 -2.531 142 1HB GLU 20 HB2 GLU 20 -5.576 -6.354 0.192 143 2HB GLU 20 HB1 GLU 20 -6.946 -6.556 -0.898 144 1HG GLU 20 HG2 GLU 20 -5.087 -8.847 -0.263 145 2HG GLU 20 HG1 GLU 20 -6.472 -8.474 0.763 146 H LEU 21 HN LEU 21 -4.229 -4.496 -1.015 147 HA LEU 21 HA LEU 21 -5.870 -2.852 -2.757 148 1HB LEU 21 HB2 LEU 21 -4.843 -2.427 -0.426 149 2HB LEU 21 HB1 LEU 21 -3.340 -2.094 -1.267 150 HG LEU 21 HG LEU 21 -5.265 -0.228 -0.663 151 1HD1 LEU 21 HD11 LEU 21 -3.427 -0.034 -3.047 152 2HD1 LEU 21 HD12 LEU 21 -2.853 0.023 -1.381 153 3HD1 LEU 21 HD13 LEU 21 -3.955 1.265 -1.977 154 1HD2 LEU 21 HD21 LEU 21 -6.064 0.462 -3.011 155 2HD2 LEU 21 HD22 LEU 21 -6.922 -0.862 -2.233 156 3HD2 LEU 21 HD23 LEU 21 -5.733 -1.194 -3.491 157 H LEU 22 HN LEU 22 -2.329 -3.304 -2.564 158 HA LEU 22 HA LEU 22 -1.431 -2.075 -4.884 159 1HB LEU 22 HB2 LEU 22 -0.783 -4.666 -3.466 160 2HB LEU 22 HB1 LEU 22 0.131 -4.198 -4.891 161 HG LEU 22 HG LEU 22 -0.103 -2.690 -2.283 162 1HD1 LEU 22 HD11 LEU 22 2.471 -2.882 -2.632 163 2HD1 LEU 22 HD12 LEU 22 2.066 -4.131 -3.810 164 3HD1 LEU 22 HD13 LEU 22 1.594 -4.325 -2.122 165 1HD2 LEU 22 HD21 LEU 22 1.652 -1.254 -3.731 166 2HD2 LEU 22 HD22 LEU 22 -0.073 -0.892 -3.713 167 3HD2 LEU 22 HD23 LEU 22 0.618 -1.825 -5.040 168 H GLU 23 HN GLU 23 -2.512 -5.449 -4.597 169 HA GLU 23 HA GLU 23 -2.452 -6.199 -7.317 170 1HB GLU 23 HB2 GLU 23 -2.910 -7.638 -5.325 171 2HB GLU 23 HB1 GLU 23 -4.526 -6.939 -5.231 172 1HG GLU 23 HG2 GLU 23 -3.724 -8.013 -7.881 173 2HG GLU 23 HG1 GLU 23 -3.988 -9.207 -6.611 174 H GLN 24 HN GLN 24 -5.136 -4.589 -5.546 175 HA GLN 24 HA GLN 24 -7.003 -4.497 -7.715 176 1HB GLN 24 HB2 GLN 24 -7.357 -3.903 -5.263 177 2HB GLN 24 HB1 GLN 24 -6.495 -2.396 -5.582 178 1HG GLN 24 HG2 GLN 24 -8.651 -1.673 -5.977 179 2HG GLN 24 HG1 GLN 24 -8.238 -2.244 -7.591 180 1HE2 GLN 24 HE21 GLN 24 -10.929 -2.180 -6.186 181 2HE2 GLN 24 HE22 GLN 24 -11.492 -3.780 -6.257 182 H LEU 25 HN LEU 25 -4.560 -2.223 -6.585 183 HA LEU 25 HA LEU 25 -4.855 -0.281 -8.670 184 1HB LEU 25 HB2 LEU 25 -2.780 -1.071 -6.620 185 2HB LEU 25 HB1 LEU 25 -2.458 0.236 -7.764 186 HG LEU 25 HG LEU 25 -4.720 1.202 -7.024 187 1HD1 LEU 25 HD11 LEU 25 -5.549 -0.807 -5.880 188 2HD1 LEU 25 HD12 LEU 25 -5.469 0.567 -4.780 189 3HD1 LEU 25 HD13 LEU 25 -4.228 -0.681 -4.720 190 1HD2 LEU 25 HD21 LEU 25 -3.701 2.392 -5.196 191 2HD2 LEU 25 HD22 LEU 25 -2.418 2.036 -6.354 192 3HD2 LEU 25 HD23 LEU 25 -2.581 1.065 -4.891 193 H ASP 26 HN ASP 26 -3.461 -3.406 -8.505 194 HA ASP 26 HA ASP 26 -2.474 -4.741 -10.171 195 1HB ASP 26 HB2 ASP 26 -3.986 -3.256 -11.610 196 2HB ASP 26 HB1 ASP 26 -2.563 -2.258 -11.879 197 H GLN 27 HN GLN 27 -1.011 -3.428 -8.206 198 HA GLN 27 HA GLN 27 1.594 -2.975 -9.600 199 1HB GLN 27 HB2 GLN 27 1.086 -1.445 -7.103 200 2HB GLN 27 HB1 GLN 27 1.839 -0.909 -8.603 201 1HG GLN 27 HG2 GLN 27 -0.582 -1.028 -9.583 202 2HG GLN 27 HG1 GLN 27 -1.091 -1.012 -7.896 203 1HE2 GLN 27 HE21 GLN 27 -1.910 1.197 -9.259 204 2HE2 GLN 27 HE22 GLN 27 -0.944 2.546 -8.899 205 H ARG 28 HN ARG 28 3.420 -3.732 -8.243 206 HA ARG 28 HA ARG 28 2.525 -5.304 -5.853 207 1HB ARG 28 HB2 ARG 28 4.436 -6.088 -8.076 208 2HB ARG 28 HB1 ARG 28 4.130 -7.054 -6.631 209 1HG ARG 28 HG2 ARG 28 1.714 -6.176 -8.107 210 2HG ARG 28 HG1 ARG 28 2.735 -7.347 -8.944 211 1HD ARG 28 HD2 ARG 28 2.026 -7.813 -6.051 212 2HD ARG 28 HD1 ARG 28 0.874 -8.248 -7.331 213 HE ARG 28 HE ARG 28 3.086 -9.366 -8.348 214 1HH1 ARG 28 HH21 ARG 28 3.364 -8.854 -5.083 215 2HH1 ARG 28 HH22 ARG 28 3.484 -10.522 -4.634 216 1HH2 ARG 28 HH11 ARG 28 2.641 -11.707 -7.779 217 2HH2 ARG 28 HH12 ARG 28 3.075 -12.137 -6.159 218 H GLN 29 HN GLN 29 5.782 -5.793 -6.562 219 HA GLN 29 HA GLN 29 6.867 -3.393 -5.364 220 1HB GLN 29 HB2 GLN 29 7.636 -5.141 -3.393 221 2HB GLN 29 HB1 GLN 29 6.321 -3.988 -3.246 222 1HG GLN 29 HG2 GLN 29 4.879 -5.687 -2.941 223 2HG GLN 29 HG1 GLN 29 5.282 -6.336 -4.524 224 1HE2 GLN 29 HE21 GLN 29 4.898 -8.442 -3.173 225 2HE2 GLN 29 HE22 GLN 29 6.264 -9.097 -2.408 226 H ALA 30 HN ALA 30 7.720 -6.868 -5.083 227 HA ALA 30 HA ALA 30 9.708 -7.984 -5.770 228 1HB ALA 30 HB1 ALA 30 9.373 -7.699 -8.014 229 2HB ALA 30 HB2 ALA 30 10.646 -6.487 -7.872 230 3HB ALA 30 HB3 ALA 30 8.953 -5.998 -7.821 231 H GLY 31 HN GLY 31 9.607 -5.424 -4.035 232 1HA GLY 31 HA2 GLY 31 11.917 -5.104 -2.872 233 2HA GLY 31 HA1 GLY 31 12.365 -4.449 -4.451 234 H ALA 32 HN ALA 32 9.332 -4.141 -2.585 235 HA ALA 32 HA ALA 32 9.758 -1.172 -2.639 236 1HB ALA 32 HB1 ALA 32 7.007 -2.329 -2.825 237 2HB ALA 32 HB2 ALA 32 8.040 -2.493 -4.243 238 3HB ALA 32 HB3 ALA 32 7.671 -0.893 -3.602 239 H ALA 33 HN ALA 33 8.279 -0.057 -1.100 240 HA ALA 33 HA ALA 33 7.224 -1.597 1.183 241 1HB ALA 33 HB1 ALA 33 9.820 -0.926 1.320 242 2HB ALA 33 HB2 ALA 33 8.775 -0.850 2.740 243 3HB ALA 33 HB3 ALA 33 9.132 0.617 1.828 244 H LEU 34 HN LEU 34 5.800 -0.063 2.511 245 HA LEU 34 HA LEU 34 5.450 2.550 1.173 246 1HB LEU 34 HB2 LEU 34 3.784 1.744 -0.089 247 2HB LEU 34 HB1 LEU 34 3.962 0.170 0.668 248 HG LEU 34 HG LEU 34 2.276 2.443 1.782 249 1HD1 LEU 34 HD11 LEU 34 0.365 1.280 0.951 250 2HD1 LEU 34 HD12 LEU 34 1.318 -0.149 0.546 251 3HD1 LEU 34 HD13 LEU 34 1.503 1.331 -0.395 252 1HD2 LEU 34 HD21 LEU 34 1.467 -0.052 2.802 253 2HD2 LEU 34 HD22 LEU 34 2.327 1.213 3.680 254 3HD2 LEU 34 HD23 LEU 34 3.229 -0.076 2.883 255 H ALA 35 HN ALA 35 4.074 4.087 2.345 256 HA ALA 35 HA ALA 35 3.738 3.336 5.236 257 1HB ALA 35 HB1 ALA 35 4.052 6.163 4.353 258 2HB ALA 35 HB2 ALA 35 5.476 5.132 4.221 259 3HB ALA 35 HB3 ALA 35 4.695 5.364 5.786 260 H ILE 36 HN ILE 36 1.582 3.184 5.682 261 HA ILE 36 HA ILE 36 -0.291 4.789 4.021 262 HB ILE 36 HB ILE 36 -0.764 2.506 5.962 263 1HG1 ILE 36 HG12 ILE 36 -0.459 2.603 2.941 264 2HG1 ILE 36 HG11 ILE 36 0.583 1.759 4.084 265 1HG2 ILE 36 HG21 ILE 36 -2.978 2.791 5.572 266 2HG2 ILE 36 HG22 ILE 36 -2.712 2.940 3.834 267 3HG2 ILE 36 HG23 ILE 36 -2.563 4.357 4.873 268 1HD1 ILE 36 HD11 ILE 36 -0.862 0.013 4.318 269 2HD1 ILE 36 HD12 ILE 36 -1.467 0.562 2.755 270 3HD1 ILE 36 HD13 ILE 36 -2.287 1.048 4.238 271 H ASN 37 HN ASN 37 -1.432 6.478 4.890 272 HA ASN 37 HA ASN 37 -2.058 8.104 6.479 273 1HB ASN 37 HB2 ASN 37 -2.426 5.404 7.665 274 2HB ASN 37 HB1 ASN 37 -2.534 6.770 8.779 275 1HD2 ASN 37 HD21 ASN 37 -4.152 5.121 6.144 276 2HD2 ASN 37 HD22 ASN 37 -5.516 6.129 6.090 277 H GLN 38 HN GLN 38 0.851 7.367 6.238 278 HA GLN 38 HA GLN 38 2.774 8.377 7.183 279 1HB GLN 38 HB2 GLN 38 2.524 9.864 8.903 280 2HB GLN 38 HB1 GLN 38 0.826 9.680 8.484 281 1HG GLN 38 HG2 GLN 38 0.485 9.105 10.637 282 2HG GLN 38 HG1 GLN 38 1.300 7.587 10.276 283 1HE2 GLN 38 HE21 GLN 38 1.582 8.481 12.864 284 2HE2 GLN 38 HE22 GLN 38 3.136 9.116 13.120 285 H GLN 39 HN GLN 39 1.256 5.552 8.164 286 HA GLN 39 HA GLN 39 3.485 4.901 10.048 287 1HB GLN 39 HB2 GLN 39 2.111 2.785 10.381 288 2HB GLN 39 HB1 GLN 39 1.305 4.275 10.865 289 1HG GLN 39 HG2 GLN 39 -0.227 4.154 9.171 290 2HG GLN 39 HG1 GLN 39 0.913 3.407 8.051 291 1HE2 GLN 39 HE21 GLN 39 -1.444 2.136 7.990 292 2HE2 GLN 39 HE22 GLN 39 -1.439 0.704 8.904 293 H ILE 40 HN ILE 40 5.289 4.229 8.945 294 HA ILE 40 HA ILE 40 5.143 3.039 6.302 295 HB ILE 40 HB ILE 40 7.260 3.545 8.390 296 1HG1 ILE 40 HG12 ILE 40 8.214 4.602 6.135 297 2HG1 ILE 40 HG11 ILE 40 6.518 4.544 5.670 298 1HG2 ILE 40 HG21 ILE 40 7.531 1.827 5.908 299 2HG2 ILE 40 HG22 ILE 40 7.974 1.411 7.563 300 3HG2 ILE 40 HG23 ILE 40 8.914 2.608 6.674 301 1HD1 ILE 40 HD11 ILE 40 7.537 5.810 8.225 302 2HD1 ILE 40 HD12 ILE 40 5.883 5.852 7.616 303 3HD1 ILE 40 HD13 ILE 40 7.163 6.703 6.752 304 H VAL 41 HN VAL 41 4.128 1.080 6.183 305 HA VAL 41 HA VAL 41 4.507 -0.963 8.285 306 HB VAL 41 HB VAL 41 3.021 -0.949 5.657 307 1HG1 VAL 41 HG11 VAL 41 2.022 -2.978 6.323 308 2HG1 VAL 41 HG12 VAL 41 2.525 -2.781 8.002 309 3HG1 VAL 41 HG13 VAL 41 3.714 -3.185 6.767 310 1HG2 VAL 41 HG21 VAL 41 2.512 0.502 7.973 311 2HG2 VAL 41 HG22 VAL 41 1.494 -0.926 8.160 312 3HG2 VAL 41 HG23 VAL 41 1.321 0.102 6.737 313 HA PRO 42 HA PRO 42 7.530 -3.026 5.941 314 1HB PRO 42 HB2 PRO 42 7.339 -5.459 7.135 315 2HB PRO 42 HB1 PRO 42 8.166 -4.064 7.833 316 1HG PRO 42 HG2 PRO 42 5.529 -5.225 8.493 317 2HG PRO 42 HG1 PRO 42 6.689 -4.409 9.549 318 1HD PRO 42 HD2 PRO 42 4.397 -3.268 8.506 319 2HD PRO 42 HD1 PRO 42 5.790 -2.372 9.144 320 H ARG 43 HN ARG 43 7.230 -3.732 4.052 321 HA ARG 43 HA ARG 43 5.106 -4.431 2.533 322 1HB ARG 43 HB2 ARG 43 6.747 -6.059 1.377 323 2HB ARG 43 HB1 ARG 43 7.238 -4.376 1.524 324 1HG ARG 43 HG2 ARG 43 8.246 -5.333 3.842 325 2HG ARG 43 HG1 ARG 43 8.319 -6.796 2.864 326 1HD ARG 43 HD2 ARG 43 9.236 -4.649 1.227 327 2HD ARG 43 HD1 ARG 43 10.085 -4.543 2.784 328 HE ARG 43 HE ARG 43 9.953 -7.057 1.154 329 1HH1 ARG 43 HH11 ARG 43 10.816 -6.556 4.194 330 2HH1 ARG 43 HH12 ARG 43 12.525 -6.774 4.012 331 1HH2 ARG 43 HH21 ARG 43 12.446 -6.626 0.548 332 2HH2 ARG 43 HH22 ARG 43 13.446 -6.813 1.950 333 H GLU 44 HN GLU 44 6.947 -6.826 4.352 334 HA GLU 44 HA GLU 44 5.731 -9.186 3.720 335 1HB GLU 44 HB2 GLU 44 7.569 -9.092 5.146 336 2HB GLU 44 HB1 GLU 44 6.785 -7.946 6.234 337 1HG GLU 44 HG2 GLU 44 6.844 -10.192 7.257 338 2HG GLU 44 HG1 GLU 44 5.179 -9.715 6.918 339 H GLN 45 HN GLN 45 4.227 -6.602 5.598 340 HA GLN 45 HA GLN 45 2.050 -8.382 6.501 341 1HB GLN 45 HB2 GLN 45 2.646 -5.425 6.823 342 2HB GLN 45 HB1 GLN 45 1.274 -6.242 7.574 343 1HG GLN 45 HG2 GLN 45 3.230 -7.921 8.339 344 2HG GLN 45 HG1 GLN 45 4.171 -6.438 8.215 345 1HE2 GLN 45 HE21 GLN 45 2.192 -8.200 10.315 346 2HE2 GLN 45 HE22 GLN 45 1.795 -6.951 11.393 347 H TRP 46 HN TRP 46 2.665 -6.237 3.822 348 HA TRP 46 HA TRP 46 0.260 -5.165 3.088 349 1HB TRP 46 HB2 TRP 46 2.276 -6.777 1.504 350 2HB TRP 46 HB1 TRP 46 1.004 -5.827 0.745 351 HD1 TRP 46 HD1 TRP 46 2.180 -4.112 3.796 352 HE1 TRP 46 HE1 TRP 46 3.790 -2.192 3.192 353 HE3 TRP 46 HE3 TRP 46 3.107 -5.247 -1.094 354 HZ2 TRP 46 HZ2 TRP 46 5.283 -1.273 0.927 355 HZ3 TRP 46 HZ3 TRP 46 4.633 -3.837 -2.448 356 HH2 TRP 46 HH2 TRP 46 5.730 -1.848 -1.431 357 H ALA 47 HN ALA 47 1.104 -8.581 3.100 358 HA ALA 47 HA ALA 47 -1.282 -9.457 1.677 359 1HB ALA 47 HB1 ALA 47 1.177 -10.471 2.856 360 2HB ALA 47 HB2 ALA 47 0.278 -11.064 1.460 361 3HB ALA 47 HB3 ALA 47 -0.181 -11.572 3.085 362 H GLN 48 HN GLN 48 -0.485 -8.740 4.985 363 HA GLN 48 HA GLN 48 -3.146 -9.843 5.825 364 1HB GLN 48 HB2 GLN 48 -0.442 -9.754 7.188 365 2HB GLN 48 HB1 GLN 48 -1.929 -10.043 8.090 366 1HG GLN 48 HG2 GLN 48 -1.602 -11.687 5.654 367 2HG GLN 48 HG1 GLN 48 -0.446 -12.022 6.942 368 1HE2 GLN 48 HE21 GLN 48 -3.885 -12.102 6.092 369 2HE2 GLN 48 HE22 GLN 48 -4.381 -12.994 7.448 370 H HIS 49 HN HIS 49 -1.733 -7.139 4.958 371 HA HIS 49 HA HIS 49 -2.395 -5.431 7.277 372 1HB HIS 49 HB2 HIS 49 -0.269 -5.228 6.061 373 2HB HIS 49 HB1 HIS 49 -1.150 -4.958 4.557 374 HD1 HIS 49 HD1 HIS 49 -0.092 -3.267 7.703 375 HD2 HIS 49 HD2 HIS 49 -2.511 -2.414 4.417 376 HE1 HIS 49 HE1 HIS 49 -0.585 -0.786 7.802 377 H ILE 50 HN ILE 50 -4.798 -5.967 6.903 378 HA ILE 50 HA ILE 50 -6.281 -5.350 4.618 379 HB ILE 50 HB ILE 50 -6.867 -5.060 7.568 380 1HG1 ILE 50 HG12 ILE 50 -6.289 -7.318 6.573 381 2HG1 ILE 50 HG11 ILE 50 -7.889 -7.231 7.311 382 1HG2 ILE 50 HG21 ILE 50 -8.481 -3.672 6.470 383 2HG2 ILE 50 HG22 ILE 50 -9.285 -5.214 6.759 384 3HG2 ILE 50 HG23 ILE 50 -8.674 -4.827 5.151 385 1HD1 ILE 50 HD11 ILE 50 -7.408 -8.155 4.776 386 2HD1 ILE 50 HD12 ILE 50 -7.819 -6.469 4.462 387 3HD1 ILE 50 HD13 ILE 50 -8.956 -7.508 5.322 388 H VAL 51 HN VAL 51 -6.659 -3.544 3.561 389 HA VAL 51 HA VAL 51 -5.733 -0.907 4.576 390 HB VAL 51 HB VAL 51 -6.821 -1.869 1.909 391 1HG1 VAL 51 HG11 VAL 51 -6.367 0.698 2.817 392 2HG1 VAL 51 HG12 VAL 51 -6.445 0.200 1.129 393 3HG1 VAL 51 HG13 VAL 51 -4.886 0.305 1.948 394 1HG2 VAL 51 HG21 VAL 51 -4.676 -2.542 1.352 395 2HG2 VAL 51 HG22 VAL 51 -4.623 -2.876 3.076 396 3HG2 VAL 51 HG23 VAL 51 -3.919 -1.390 2.443 397 H GLN 52 HN GLN 52 -7.167 0.877 4.792 398 HA GLN 52 HA GLN 52 -10.054 0.159 5.056 399 1HB GLN 52 HB2 GLN 52 -8.347 2.431 6.086 400 2HB GLN 52 HB1 GLN 52 -10.052 2.200 6.477 401 1HG GLN 52 HG2 GLN 52 -8.214 -0.117 6.916 402 2HG GLN 52 HG1 GLN 52 -8.116 1.225 8.055 403 1HE2 GLN 52 HE21 GLN 52 -10.039 -1.509 7.070 404 2HE2 GLN 52 HE22 GLN 52 -11.298 -1.281 8.186 405 H ASP 53 HN ASP 53 -11.687 1.487 4.199 406 HA ASP 53 HA ASP 53 -11.251 2.765 1.688 407 1HB ASP 53 HB2 ASP 53 -13.418 2.073 2.109 408 2HB ASP 53 HB1 ASP 53 -13.384 2.646 3.774 409 H GLY 54 HN GLY 54 -9.988 4.440 1.512 410 1HA GLY 54 HA2 GLY 54 -9.787 6.903 1.712 411 2HA GLY 54 HA1 GLY 54 -10.182 6.712 3.431 412 H ASP 55 HN ASP 55 -8.396 4.122 2.251 413 HA ASP 55 HA ASP 55 -6.225 4.428 4.005 414 1HB ASP 55 HB2 ASP 55 -6.998 2.385 2.811 415 2HB ASP 55 HB1 ASP 55 -6.240 3.005 1.344 416 H GLN 56 HN GLN 56 -4.461 5.729 3.957 417 HA GLN 56 HA GLN 56 -3.709 7.143 1.432 418 1HB GLN 56 HB2 GLN 56 -3.898 8.619 3.282 419 2HB GLN 56 HB1 GLN 56 -3.223 7.438 4.404 420 1HG GLN 56 HG2 GLN 56 -1.159 8.225 4.067 421 2HG GLN 56 HG1 GLN 56 -1.307 8.003 2.331 422 1HE2 GLN 56 HE21 GLN 56 0.100 10.239 3.150 423 2HE2 GLN 56 HE22 GLN 56 -0.819 11.644 2.898 424 H ILE 57 HN ILE 57 -1.494 6.888 0.633 425 HA ILE 57 HA ILE 57 0.047 4.698 1.958 426 HB ILE 57 HB ILE 57 -0.837 4.922 -0.905 427 1HG1 ILE 57 HG12 ILE 57 -1.249 2.779 1.190 428 2HG1 ILE 57 HG11 ILE 57 -2.467 3.945 0.663 429 1HG2 ILE 57 HG21 ILE 57 0.440 2.678 -1.053 430 2HG2 ILE 57 HG22 ILE 57 1.278 3.233 0.397 431 3HG2 ILE 57 HG23 ILE 57 1.386 4.166 -1.093 432 1HD1 ILE 57 HD11 ILE 57 -1.064 1.992 -1.180 433 2HD1 ILE 57 HD12 ILE 57 -2.376 3.089 -1.612 434 3HD1 ILE 57 HD13 ILE 57 -2.677 1.746 -0.508 435 H LEU 58 HN LEU 58 2.245 4.849 1.762 436 HA LEU 58 HA LEU 58 3.372 7.081 0.133 437 1HB LEU 58 HB2 LEU 58 3.402 7.014 2.806 438 2HB LEU 58 HB1 LEU 58 4.784 5.958 2.516 439 HG LEU 58 HG LEU 58 5.511 8.302 2.741 440 1HD1 LEU 58 HD11 LEU 58 7.098 7.980 1.162 441 2HD1 LEU 58 HD12 LEU 58 5.916 8.034 -0.146 442 3HD1 LEU 58 HD13 LEU 58 6.204 6.525 0.721 443 1HD2 LEU 58 HD21 LEU 58 3.215 9.072 1.687 444 2HD2 LEU 58 HD22 LEU 58 4.106 8.968 0.170 445 3HD2 LEU 58 HD23 LEU 58 4.662 10.051 1.446 446 H LEU 59 HN LEU 59 4.630 6.194 -1.552 447 HA LEU 59 HA LEU 59 5.257 3.307 -1.297 448 1HB LEU 59 HB2 LEU 59 4.064 4.264 -3.263 449 2HB LEU 59 HB1 LEU 59 5.518 5.185 -3.659 450 HG LEU 59 HG LEU 59 6.797 3.164 -3.979 451 1HD1 LEU 59 HD11 LEU 59 5.052 1.028 -3.824 452 2HD1 LEU 59 HD12 LEU 59 4.583 2.005 -2.434 453 3HD1 LEU 59 HD13 LEU 59 6.249 1.448 -2.600 454 1HD2 LEU 59 HD21 LEU 59 4.872 3.960 -5.668 455 2HD2 LEU 59 HD22 LEU 59 4.249 2.353 -5.301 456 3HD2 LEU 59 HD23 LEU 59 5.862 2.537 -5.990 457 H PHE 60 HN PHE 60 7.270 2.459 -1.293 458 HA PHE 60 HA PHE 60 9.609 4.335 -1.346 459 1HB PHE 60 HB2 PHE 60 9.018 1.864 0.319 460 2HB PHE 60 HB1 PHE 60 10.566 2.712 0.325 461 HD1 PHE 60 HD1 PHE 60 9.890 5.499 0.227 462 HD2 PHE 60 HD2 PHE 60 7.904 2.331 2.338 463 HE1 PHE 60 HE1 PHE 60 9.009 7.144 1.857 464 HE2 PHE 60 HE2 PHE 60 7.024 3.978 3.972 465 HZ PHE 60 HZ PHE 60 7.575 6.384 3.731 466 H GLN 61 HN GLN 61 11.501 3.489 -2.399 467 HA GLN 61 HA GLN 61 10.923 1.303 -4.324 468 1HB GLN 61 HB2 GLN 61 12.857 2.227 -5.491 469 2HB GLN 61 HB1 GLN 61 11.804 3.554 -5.002 470 1HG GLN 61 HG2 GLN 61 13.490 4.473 -3.827 471 2HG GLN 61 HG1 GLN 61 13.608 3.011 -2.848 472 1HE2 GLN 61 HE21 GLN 61 14.702 4.351 -6.011 473 2HE2 GLN 61 HE22 GLN 61 16.147 3.462 -6.057 474 H VAL 62 HN VAL 62 12.521 -0.384 -4.659 475 HA VAL 62 HA VAL 62 13.245 -2.038 -2.643 476 HB VAL 62 HB VAL 62 13.632 -2.411 -5.039 477 1HG1 VAL 62 HG11 VAL 62 15.300 -0.038 -4.666 478 2HG1 VAL 62 HG12 VAL 62 14.618 -0.708 -6.148 479 3HG1 VAL 62 HG13 VAL 62 16.147 -1.326 -5.524 480 1HG2 VAL 62 HG21 VAL 62 15.269 -3.941 -4.633 481 2HG2 VAL 62 HG22 VAL 62 15.145 -3.370 -2.970 482 3HG2 VAL 62 HG23 VAL 62 16.393 -2.722 -4.034 483 H ILE 63 HN ILE 63 15.070 -2.345 -1.249 484 HA ILE 63 HA ILE 63 16.651 0.150 -0.731 485 HB ILE 63 HB ILE 63 16.716 -0.951 1.633 486 1HG1 ILE 63 HG12 ILE 63 15.663 -3.102 0.536 487 2HG1 ILE 63 HG11 ILE 63 15.152 -2.611 2.148 488 1HG2 ILE 63 HG21 ILE 63 14.069 -0.188 1.718 489 2HG2 ILE 63 HG22 ILE 63 14.654 0.619 0.263 490 3HG2 ILE 63 HG23 ILE 63 15.448 0.908 1.811 491 1HD1 ILE 63 HD11 ILE 63 13.408 -3.156 0.150 492 2HD1 ILE 63 HD12 ILE 63 13.626 -1.427 -0.112 493 3HD1 ILE 63 HD13 ILE 63 13.055 -2.016 1.447 494 H ALA 64 HN ALA 64 18.418 -0.502 -2.031 495 HA ALA 64 HA ALA 64 19.866 -2.933 -1.049 496 1HB ALA 64 HB1 ALA 64 20.518 -2.207 -3.750 497 2HB ALA 64 HB2 ALA 64 18.764 -2.273 -3.576 498 3HB ALA 64 HB3 ALA 64 19.744 -3.680 -3.165 499 H GLY 65 HN GLY 65 21.519 -2.044 0.182 500 1HA GLY 65 HA2 GLY 65 23.163 0.077 -1.146 501 2HA GLY 65 HA1 GLY 65 22.862 0.087 0.594 502 H GLY 66 HN GLY 66 25.001 -0.227 1.266 503 1HA GLY 66 HA2 GLY 66 26.364 -2.689 0.273 504 2HA GLY 66 HA1 GLY 66 27.186 -1.332 1.045 Start of MODEL 19 1 1H MET 1 HT1 MET 1 14.491 1.291 2.605 2 2H MET 1 HT2 MET 1 13.776 2.390 3.689 3 3H MET 1 HT3 MET 1 15.022 2.901 2.653 4 HA MET 1 HA MET 1 13.652 3.087 0.856 5 1HB MET 1 HB2 MET 1 12.388 1.338 0.212 6 2HB MET 1 HB1 MET 1 13.186 0.516 1.544 7 1HG MET 1 HG2 MET 1 10.987 0.077 2.037 8 2HG MET 1 HG1 MET 1 11.216 1.579 2.932 9 1HE MET 1 HE1 MET 1 10.588 0.342 -0.699 10 2HE MET 1 HE2 MET 1 8.948 0.913 -0.984 11 3HE MET 1 HE3 MET 1 9.250 -0.282 0.275 12 H GLN 2 HN GLN 2 11.514 4.117 0.463 13 HA GLN 2 HA GLN 2 10.099 4.918 2.948 14 1HB GLN 2 HB2 GLN 2 11.960 6.455 2.489 15 2HB GLN 2 HB1 GLN 2 11.299 6.743 0.881 16 1HG GLN 2 HG2 GLN 2 9.135 7.415 2.158 17 2HG GLN 2 HG1 GLN 2 10.214 7.595 3.543 18 1HE2 GLN 2 HE21 GLN 2 9.482 10.010 3.137 19 2HE2 GLN 2 HE22 GLN 2 10.434 10.901 2.056 20 H ILE 3 HN ILE 3 8.049 5.942 2.521 21 HA ILE 3 HA ILE 3 7.050 5.674 -0.230 22 HB ILE 3 HB ILE 3 5.624 3.959 0.348 23 1HG1 ILE 3 HG12 ILE 3 5.540 5.358 2.945 24 2HG1 ILE 3 HG11 ILE 3 4.232 4.613 2.032 25 1HG2 ILE 3 HG21 ILE 3 6.821 2.319 1.719 26 2HG2 ILE 3 HG22 ILE 3 7.762 3.611 2.464 27 3HG2 ILE 3 HG23 ILE 3 7.975 3.235 0.760 28 1HD1 ILE 3 HD11 ILE 3 6.318 3.116 3.645 29 2HD1 ILE 3 HD12 ILE 3 4.976 2.381 2.767 30 3HD1 ILE 3 HD13 ILE 3 4.663 3.415 4.163 31 H LEU 4 HN LEU 4 4.728 6.383 -0.267 32 HA LEU 4 HA LEU 4 4.196 8.483 1.795 33 1HB LEU 4 HB2 LEU 4 4.860 9.445 -0.400 34 2HB LEU 4 HB1 LEU 4 3.599 8.491 -1.180 35 HG LEU 4 HG LEU 4 3.025 10.966 -0.580 36 1HD1 LEU 4 HD11 LEU 4 1.036 9.213 0.697 37 2HD1 LEU 4 HD12 LEU 4 1.522 8.721 -0.926 38 3HD1 LEU 4 HD13 LEU 4 0.848 10.329 -0.653 39 1HD2 LEU 4 HD21 LEU 4 3.960 10.312 1.859 40 2HD2 LEU 4 HD22 LEU 4 2.267 9.900 2.062 41 3HD2 LEU 4 HD23 LEU 4 2.729 11.541 1.605 42 H PHE 5 HN PHE 5 2.599 7.418 2.960 43 HA PHE 5 HA PHE 5 0.632 5.846 1.391 44 1HB PHE 5 HB2 PHE 5 1.840 4.757 3.211 45 2HB PHE 5 HB1 PHE 5 1.345 6.002 4.349 46 HD1 PHE 5 HD1 PHE 5 -0.919 6.066 5.232 47 HD2 PHE 5 HD2 PHE 5 0.237 3.139 2.315 48 HE1 PHE 5 HE1 PHE 5 -3.044 4.843 5.629 49 HE2 PHE 5 HE2 PHE 5 -1.869 1.899 2.721 50 HZ PHE 5 HZ PHE 5 -3.520 2.754 4.359 51 H ASN 6 HN ASN 6 -0.905 7.376 0.704 52 HA ASN 6 HA ASN 6 -2.650 8.913 0.878 53 1HB ASN 6 HB2 ASN 6 -3.145 7.163 2.723 54 2HB ASN 6 HB1 ASN 6 -2.541 8.377 3.845 55 1HD2 ASN 6 HD21 ASN 6 -3.952 10.093 4.419 56 2HD2 ASN 6 HD22 ASN 6 -5.495 10.304 3.745 57 H ASP 7 HN ASP 7 -0.484 10.107 0.527 58 HA ASP 7 HA ASP 7 0.757 12.072 0.743 59 1HB ASP 7 HB2 ASP 7 -1.271 13.167 2.624 60 2HB ASP 7 HB1 ASP 7 -0.536 13.910 1.208 61 H GLN 8 HN GLN 8 0.692 9.866 2.965 62 HA GLN 8 HA GLN 8 2.043 11.476 5.124 63 1HB GLN 8 HB2 GLN 8 0.957 8.632 5.128 64 2HB GLN 8 HB1 GLN 8 1.554 9.519 6.532 65 1HG GLN 8 HG2 GLN 8 -0.361 11.207 5.417 66 2HG GLN 8 HG1 GLN 8 -1.069 9.595 5.293 67 1HE2 GLN 8 HE21 GLN 8 0.109 12.029 7.553 68 2HE2 GLN 8 HE22 GLN 8 -0.503 11.304 8.959 69 H ALA 9 HN ALA 9 4.292 11.276 5.086 70 HA ALA 9 HA ALA 9 5.556 9.389 3.249 71 1HB ALA 9 HB1 ALA 9 7.429 10.684 3.609 72 2HB ALA 9 HB2 ALA 9 7.085 10.878 5.329 73 3HB ALA 9 HB3 ALA 9 6.190 11.820 4.136 74 H MET 10 HN MET 10 6.906 7.655 3.776 75 HA MET 10 HA MET 10 6.987 6.705 6.630 76 1HB MET 10 HB2 MET 10 5.040 5.931 4.946 77 2HB MET 10 HB1 MET 10 6.309 4.818 4.461 78 1HG MET 10 HG2 MET 10 5.450 3.558 6.131 79 2HG MET 10 HG1 MET 10 6.533 4.551 7.105 80 1HE MET 10 HE1 MET 10 2.122 4.485 6.558 81 2HE MET 10 HE2 MET 10 3.409 4.144 5.401 82 3HE MET 10 HE3 MET 10 2.793 5.785 5.566 83 H GLN 11 HN GLN 11 8.327 4.696 6.851 84 HA GLN 11 HA GLN 11 10.197 4.172 4.611 85 1HB GLN 11 HB2 GLN 11 11.415 4.132 7.282 86 2HB GLN 11 HB1 GLN 11 12.108 4.636 5.756 87 1HG GLN 11 HG2 GLN 11 11.936 6.728 6.605 88 2HG GLN 11 HG1 GLN 11 10.238 6.591 6.160 89 1HE2 GLN 11 HE21 GLN 11 9.687 4.521 8.262 90 2HE2 GLN 11 HE22 GLN 11 9.706 5.347 9.743 91 H CYS 12 HN CYS 12 9.926 2.192 4.237 92 HA CYS 12 HA CYS 12 9.653 0.169 6.439 93 1HB CYS 12 HB2 CYS 12 7.931 -0.912 5.049 94 2HB CYS 12 HB1 CYS 12 7.495 0.754 5.419 95 HG CYS 12 HG CYS 12 8.052 -0.332 2.631 96 H ALA 13 HN ALA 13 9.471 -2.087 4.885 97 HA ALA 13 HA ALA 13 12.222 -2.552 4.186 98 1HB ALA 13 HB1 ALA 13 10.568 -4.702 3.402 99 2HB ALA 13 HB2 ALA 13 9.788 -3.963 4.801 100 3HB ALA 13 HB3 ALA 13 11.450 -4.539 4.924 101 H ALA 14 HN ALA 14 12.751 -1.411 2.185 102 HA ALA 14 HA ALA 14 11.207 -1.314 -0.168 103 1HB ALA 14 HB1 ALA 14 13.986 -1.085 0.623 104 2HB ALA 14 HB2 ALA 14 13.131 -0.257 -0.677 105 3HB ALA 14 HB3 ALA 14 13.844 -1.843 -0.961 106 H GLY 15 HN GLY 15 10.802 -2.733 -1.787 107 1HA GLY 15 HA2 GLY 15 10.934 -4.723 -3.087 108 2HA GLY 15 HA1 GLY 15 12.039 -5.378 -1.882 109 H GLN 16 HN GLN 16 9.562 -4.014 -0.212 110 HA GLN 16 HA GLN 16 8.320 -6.643 0.298 111 1HB GLN 16 HB2 GLN 16 7.635 -5.604 2.308 112 2HB GLN 16 HB1 GLN 16 9.217 -4.927 1.981 113 1HG GLN 16 HG2 GLN 16 8.269 -2.873 1.150 114 2HG GLN 16 HG1 GLN 16 6.645 -3.554 1.136 115 1HE2 GLN 16 HE21 GLN 16 7.847 -4.779 3.939 116 2HE2 GLN 16 HE22 GLN 16 7.434 -3.543 5.012 117 H THR 17 HN THR 17 6.241 -7.149 -0.550 118 HA THR 17 HA THR 17 5.011 -5.414 -2.431 119 HB THR 17 HB THR 17 3.245 -6.937 -2.490 120 HG1 THR 17 HG1 THR 17 3.577 -8.355 -0.240 121 1HG2 THR 17 HG21 THR 17 5.388 -8.677 -1.308 122 2HG2 THR 17 HG22 THR 17 5.521 -7.973 -2.920 123 3HG2 THR 17 HG23 THR 17 4.206 -9.093 -2.544 124 H VAL 18 HN VAL 18 2.436 -5.310 -1.890 125 HA VAL 18 HA VAL 18 2.071 -3.015 -0.114 126 HB VAL 18 HB VAL 18 0.236 -4.900 -1.498 127 1HG1 VAL 18 HG11 VAL 18 -1.097 -2.640 -1.585 128 2HG1 VAL 18 HG12 VAL 18 -0.115 -2.309 -0.163 129 3HG1 VAL 18 HG13 VAL 18 -1.173 -3.716 -0.190 130 1HG2 VAL 18 HG21 VAL 18 1.415 -2.334 -2.506 131 2HG2 VAL 18 HG22 VAL 18 0.374 -3.435 -3.408 132 3HG2 VAL 18 HG23 VAL 18 1.995 -3.940 -2.946 133 H HIS 19 HN HIS 19 0.788 -6.331 -0.398 134 HA HIS 19 HA HIS 19 -0.581 -6.555 2.057 135 1HB HIS 19 HB2 HIS 19 -0.290 -8.170 0.076 136 2HB HIS 19 HB1 HIS 19 1.312 -8.523 0.702 137 HD1 HIS 19 HD1 HIS 19 -2.274 -8.542 2.116 138 HD2 HIS 19 HD2 HIS 19 1.285 -10.712 2.319 139 HE1 HIS 19 HE1 HIS 19 -2.712 -10.511 3.662 140 H GLU 20 HN GLU 20 2.763 -6.398 1.094 141 HA GLU 20 HA GLU 20 3.832 -7.008 3.808 142 1HB GLU 20 HB2 GLU 20 4.960 -6.209 1.129 143 2HB GLU 20 HB1 GLU 20 5.975 -6.212 2.571 144 1HG GLU 20 HG2 GLU 20 4.422 -8.632 2.468 145 2HG GLU 20 HG1 GLU 20 5.295 -8.428 0.953 146 H LEU 21 HN LEU 21 3.428 -4.161 1.688 147 HA LEU 21 HA LEU 21 4.603 -2.238 3.470 148 1HB LEU 21 HB2 LEU 21 3.929 -2.180 0.967 149 2HB LEU 21 HB1 LEU 21 2.321 -1.769 1.539 150 HG LEU 21 HG LEU 21 3.450 0.285 1.047 151 1HD1 LEU 21 HD11 LEU 21 2.185 0.080 3.243 152 2HD1 LEU 21 HD12 LEU 21 3.314 1.426 3.096 153 3HD1 LEU 21 HD13 LEU 21 3.765 -0.007 4.022 154 1HD2 LEU 21 HD21 LEU 21 5.763 -1.053 1.554 155 2HD2 LEU 21 HD22 LEU 21 5.634 -0.042 2.997 156 3HD2 LEU 21 HD23 LEU 21 5.641 0.696 1.395 157 H LEU 22 HN LEU 22 1.124 -2.907 2.809 158 HA LEU 22 HA LEU 22 -0.027 -1.350 4.835 159 1HB LEU 22 HB2 LEU 22 -0.652 -3.984 3.494 160 2HB LEU 22 HB1 LEU 22 -1.690 -3.438 4.804 161 HG LEU 22 HG LEU 22 -2.453 -2.754 2.520 162 1HD1 LEU 22 HD11 LEU 22 -3.011 -0.498 3.246 163 2HD1 LEU 22 HD12 LEU 22 -1.642 -0.496 4.358 164 3HD1 LEU 22 HD13 LEU 22 -3.013 -1.564 4.649 165 1HD2 LEU 22 HD21 LEU 22 -0.265 -2.367 1.546 166 2HD2 LEU 22 HD22 LEU 22 0.049 -1.072 2.694 167 3HD2 LEU 22 HD23 LEU 22 -1.214 -0.886 1.472 168 H GLU 23 HN GLU 23 0.977 -4.705 4.968 169 HA GLU 23 HA GLU 23 0.437 -5.379 7.622 170 1HB GLU 23 HB2 GLU 23 2.358 -6.119 5.478 171 2HB GLU 23 HB1 GLU 23 2.815 -6.644 7.097 172 1HG GLU 23 HG2 GLU 23 0.575 -7.673 7.367 173 2HG GLU 23 HG1 GLU 23 0.193 -7.211 5.705 174 H GLN 24 HN GLN 24 3.434 -3.854 6.356 175 HA GLN 24 HA GLN 24 4.858 -3.649 8.822 176 1HB GLN 24 HB2 GLN 24 5.609 -3.212 6.428 177 2HB GLN 24 HB1 GLN 24 4.759 -1.673 6.530 178 1HG GLN 24 HG2 GLN 24 7.128 -1.372 7.086 179 2HG GLN 24 HG1 GLN 24 6.105 -1.048 8.484 180 1HE2 GLN 24 HE21 GLN 24 6.981 -4.285 7.220 181 2HE2 GLN 24 HE22 GLN 24 7.816 -4.764 8.617 182 H LEU 25 HN LEU 25 2.732 -1.453 7.138 183 HA LEU 25 HA LEU 25 2.739 0.643 9.082 184 1HB LEU 25 HB2 LEU 25 1.159 -0.202 6.651 185 2HB LEU 25 HB1 LEU 25 0.717 1.246 7.556 186 HG LEU 25 HG LEU 25 2.938 2.162 7.228 187 1HD1 LEU 25 HD11 LEU 25 4.414 0.325 7.235 188 2HD1 LEU 25 HD12 LEU 25 4.525 1.002 5.609 189 3HD1 LEU 25 HD13 LEU 25 3.568 -0.430 5.901 190 1HD2 LEU 25 HD21 LEU 25 1.701 1.135 4.679 191 2HD2 LEU 25 HD22 LEU 25 2.945 2.383 4.717 192 3HD2 LEU 25 HD23 LEU 25 1.367 2.677 5.455 193 H ASP 26 HN ASP 26 1.183 -2.374 8.829 194 HA ASP 26 HA ASP 26 -0.094 -3.541 10.432 195 1HB ASP 26 HB2 ASP 26 1.013 -1.760 11.918 196 2HB ASP 26 HB1 ASP 26 -0.505 -0.885 11.771 197 H GLN 27 HN GLN 27 -1.193 -2.417 7.999 198 HA GLN 27 HA GLN 27 -3.998 -1.979 8.986 199 1HB GLN 27 HB2 GLN 27 -3.251 -0.937 6.328 200 2HB GLN 27 HB1 GLN 27 -4.186 -0.156 7.594 201 1HG GLN 27 HG2 GLN 27 -1.766 -0.089 8.768 202 2HG GLN 27 HG1 GLN 27 -1.250 -0.103 7.075 203 1HE2 GLN 27 HE21 GLN 27 -3.256 1.388 5.832 204 2HE2 GLN 27 HE22 GLN 27 -3.272 2.967 6.452 205 H ARG 28 HN ARG 28 -4.778 -4.097 8.578 206 HA ARG 28 HA ARG 28 -3.968 -5.694 6.333 207 1HB ARG 28 HB2 ARG 28 -6.331 -5.581 8.200 208 2HB ARG 28 HB1 ARG 28 -6.299 -6.736 6.867 209 1HG ARG 28 HG2 ARG 28 -3.747 -6.751 8.205 210 2HG ARG 28 HG1 ARG 28 -5.035 -7.025 9.382 211 1HD ARG 28 HD2 ARG 28 -6.013 -8.692 7.666 212 2HD ARG 28 HD1 ARG 28 -4.429 -8.614 6.880 213 HE ARG 28 HE ARG 28 -4.972 -9.746 9.559 214 1HH1 ARG 28 HH11 ARG 28 -2.470 -7.846 8.829 215 2HH1 ARG 28 HH12 ARG 28 -1.249 -9.063 8.736 216 1HH2 ARG 28 HH21 ARG 28 -3.507 -11.705 8.796 217 2HH2 ARG 28 HH22 ARG 28 -1.834 -11.255 8.738 218 H GLN 29 HN GLN 29 -6.180 -3.112 6.734 219 HA GLN 29 HA GLN 29 -7.227 -1.745 5.170 220 1HB GLN 29 HB2 GLN 29 -6.260 -3.890 3.267 221 2HB GLN 29 HB1 GLN 29 -7.022 -2.394 2.787 222 1HG GLN 29 HG2 GLN 29 -4.487 -2.624 4.403 223 2HG GLN 29 HG1 GLN 29 -4.569 -2.199 2.695 224 1HE2 GLN 29 HE21 GLN 29 -5.265 0.012 2.144 225 2HE2 GLN 29 HE22 GLN 29 -5.483 1.199 3.337 226 H ALA 30 HN ALA 30 -7.781 -5.203 5.365 227 HA ALA 30 HA ALA 30 -9.741 -6.483 5.181 228 1HB ALA 30 HB1 ALA 30 -11.537 -4.591 6.250 229 2HB ALA 30 HB2 ALA 30 -9.957 -4.210 6.928 230 3HB ALA 30 HB3 ALA 30 -10.638 -5.823 7.133 231 H GLY 31 HN GLY 31 -9.256 -4.445 2.871 232 1HA GLY 31 HA2 GLY 31 -11.028 -4.864 1.025 233 2HA GLY 31 HA1 GLY 31 -12.129 -4.104 2.169 234 H ALA 32 HN ALA 32 -8.814 -2.989 1.768 235 HA ALA 32 HA ALA 32 -9.876 -0.364 0.842 236 1HB ALA 32 HB1 ALA 32 -7.854 0.509 1.724 237 2HB ALA 32 HB2 ALA 32 -7.018 -1.033 1.571 238 3HB ALA 32 HB3 ALA 32 -8.234 -0.808 2.827 239 H ALA 33 HN ALA 33 -8.415 0.767 -0.800 240 HA ALA 33 HA ALA 33 -7.126 -1.109 -2.725 241 1HB ALA 33 HB1 ALA 33 -8.303 0.276 -4.525 242 2HB ALA 33 HB2 ALA 33 -9.280 0.977 -3.234 243 3HB ALA 33 HB3 ALA 33 -9.365 -0.753 -3.566 244 H LEU 34 HN LEU 34 -5.391 0.088 -3.950 245 HA LEU 34 HA LEU 34 -4.914 2.806 -2.868 246 1HB LEU 34 HB2 LEU 34 -3.496 1.954 -1.357 247 2HB LEU 34 HB1 LEU 34 -3.702 0.343 -2.041 248 HG LEU 34 HG LEU 34 -1.861 2.405 -3.274 249 1HD1 LEU 34 HD11 LEU 34 -1.430 1.468 -0.790 250 2HD1 LEU 34 HD12 LEU 34 -0.126 1.766 -1.938 251 3HD1 LEU 34 HD13 LEU 34 -0.749 0.134 -1.721 252 1HD2 LEU 34 HD21 LEU 34 -1.571 0.823 -4.857 253 2HD2 LEU 34 HD22 LEU 34 -2.822 -0.140 -4.075 254 3HD2 LEU 34 HD23 LEU 34 -1.132 -0.363 -3.625 255 H ALA 35 HN ALA 35 -3.336 4.101 -4.004 256 HA ALA 35 HA ALA 35 -2.665 3.014 -6.727 257 1HB ALA 35 HB1 ALA 35 -3.724 4.817 -7.534 258 2HB ALA 35 HB2 ALA 35 -2.632 5.869 -6.634 259 3HB ALA 35 HB3 ALA 35 -4.139 5.316 -5.902 260 H ILE 36 HN ILE 36 -0.510 2.613 -6.812 261 HA ILE 36 HA ILE 36 1.235 4.339 -5.141 262 HB ILE 36 HB ILE 36 1.747 1.751 -6.629 263 1HG1 ILE 36 HG12 ILE 36 1.391 2.368 -3.673 264 2HG1 ILE 36 HG11 ILE 36 0.166 1.621 -4.688 265 1HG2 ILE 36 HG21 ILE 36 3.505 2.928 -4.482 266 2HG2 ILE 36 HG22 ILE 36 3.644 3.533 -6.129 267 3HG2 ILE 36 HG23 ILE 36 3.938 1.828 -5.793 268 1HD1 ILE 36 HD11 ILE 36 1.071 -0.394 -4.274 269 2HD1 ILE 36 HD12 ILE 36 2.315 0.358 -3.282 270 3HD1 ILE 36 HD13 ILE 36 2.583 0.132 -5.013 271 H ASN 37 HN ASN 37 2.662 5.783 -6.060 272 HA ASN 37 HA ASN 37 3.625 7.083 -7.793 273 1HB ASN 37 HB2 ASN 37 3.697 4.207 -8.668 274 2HB ASN 37 HB1 ASN 37 4.240 5.459 -9.784 275 1HD2 ASN 37 HD21 ASN 37 4.639 5.320 -6.197 276 2HD2 ASN 37 HD22 ASN 37 6.334 5.359 -6.250 277 H GLN 38 HN GLN 38 0.645 6.420 -7.671 278 HA GLN 38 HA GLN 38 -1.183 7.345 -8.866 279 1HB GLN 38 HB2 GLN 38 -0.763 8.654 -10.691 280 2HB GLN 38 HB1 GLN 38 0.891 8.504 -10.117 281 1HG GLN 38 HG2 GLN 38 1.391 7.725 -12.176 282 2HG GLN 38 HG1 GLN 38 0.542 6.244 -11.737 283 1HE2 GLN 38 HE21 GLN 38 0.038 9.464 -13.209 284 2HE2 GLN 38 HE22 GLN 38 -1.327 9.023 -14.115 285 H GLN 39 HN GLN 39 0.013 4.459 -8.909 286 HA GLN 39 HA GLN 39 -1.674 3.457 -11.172 287 1HB GLN 39 HB2 GLN 39 -0.251 1.548 -11.231 288 2HB GLN 39 HB1 GLN 39 0.841 2.914 -11.033 289 1HG GLN 39 HG2 GLN 39 0.556 2.416 -8.475 290 2HG GLN 39 HG1 GLN 39 0.006 0.842 -9.031 291 1HE2 GLN 39 HE21 GLN 39 1.524 -0.400 -10.445 292 2HE2 GLN 39 HE22 GLN 39 3.196 -0.177 -10.240 293 H ILE 40 HN ILE 40 -3.664 3.087 -10.310 294 HA ILE 40 HA ILE 40 -4.044 2.255 -7.545 295 HB ILE 40 HB ILE 40 -5.691 2.744 -10.006 296 1HG1 ILE 40 HG12 ILE 40 -6.971 3.930 -7.921 297 2HG1 ILE 40 HG11 ILE 40 -5.316 3.902 -7.298 298 1HG2 ILE 40 HG21 ILE 40 -7.725 1.964 -8.788 299 2HG2 ILE 40 HG22 ILE 40 -6.681 1.278 -7.545 300 3HG2 ILE 40 HG23 ILE 40 -6.619 0.645 -9.190 301 1HD1 ILE 40 HD11 ILE 40 -4.761 5.616 -8.672 302 2HD1 ILE 40 HD12 ILE 40 -6.422 5.667 -9.249 303 3HD1 ILE 40 HD13 ILE 40 -5.238 4.649 -10.066 304 H VAL 41 HN VAL 41 -3.302 0.205 -7.038 305 HA VAL 41 HA VAL 41 -3.643 -2.002 -9.023 306 HB VAL 41 HB VAL 41 -2.344 -1.865 -6.309 307 1HG1 VAL 41 HG11 VAL 41 -3.129 -4.111 -7.217 308 2HG1 VAL 41 HG12 VAL 41 -1.420 -3.998 -6.797 309 3HG1 VAL 41 HG13 VAL 41 -1.921 -3.911 -8.485 310 1HG2 VAL 41 HG21 VAL 41 -1.537 -0.637 -8.666 311 2HG2 VAL 41 HG22 VAL 41 -0.639 -2.158 -8.675 312 3HG2 VAL 41 HG23 VAL 41 -0.496 -1.052 -7.309 313 HA PRO 42 HA PRO 42 -6.997 -3.523 -6.703 314 1HB PRO 42 HB2 PRO 42 -6.938 -6.121 -7.504 315 2HB PRO 42 HB1 PRO 42 -7.572 -4.786 -8.471 316 1HG PRO 42 HG2 PRO 42 -5.011 -6.243 -8.694 317 2HG PRO 42 HG1 PRO 42 -6.016 -5.541 -9.971 318 1HD PRO 42 HD2 PRO 42 -3.720 -4.392 -8.968 319 2HD PRO 42 HD1 PRO 42 -5.010 -3.509 -9.810 320 H ARG 43 HN ARG 43 -6.924 -3.999 -4.690 321 HA ARG 43 HA ARG 43 -5.133 -4.611 -2.840 322 1HB ARG 43 HB2 ARG 43 -6.901 -6.192 -1.812 323 2HB ARG 43 HB1 ARG 43 -7.370 -4.533 -2.168 324 1HG ARG 43 HG2 ARG 43 -9.094 -5.397 -3.315 325 2HG ARG 43 HG1 ARG 43 -7.926 -5.893 -4.532 326 1HD ARG 43 HD2 ARG 43 -9.179 -7.868 -3.926 327 2HD ARG 43 HD1 ARG 43 -7.594 -8.030 -3.151 328 HE ARG 43 HE ARG 43 -9.294 -6.623 -1.360 329 1HH1 ARG 43 HH21 ARG 43 -11.356 -8.575 -2.232 330 2HH1 ARG 43 HH22 ARG 43 -11.059 -9.934 -1.203 331 1HH2 ARG 43 HH11 ARG 43 -7.864 -8.917 -0.329 332 2HH2 ARG 43 HH12 ARG 43 -9.085 -10.129 -0.134 333 H GLU 44 HN GLU 44 -6.636 -7.279 -4.633 334 HA GLU 44 HA GLU 44 -5.330 -9.445 -3.519 335 1HB GLU 44 HB2 GLU 44 -7.125 -9.440 -5.156 336 2HB GLU 44 HB1 GLU 44 -6.013 -8.849 -6.392 337 1HG GLU 44 HG2 GLU 44 -5.714 -11.064 -6.881 338 2HG GLU 44 HG1 GLU 44 -4.661 -11.053 -5.468 339 H GLN 45 HN GLN 45 -4.053 -7.308 -6.052 340 HA GLN 45 HA GLN 45 -1.631 -8.780 -6.532 341 1HB GLN 45 HB2 GLN 45 -2.362 -5.854 -6.858 342 2HB GLN 45 HB1 GLN 45 -0.886 -6.575 -7.495 343 1HG GLN 45 HG2 GLN 45 -3.512 -7.842 -8.173 344 2HG GLN 45 HG1 GLN 45 -3.033 -6.366 -9.011 345 1HE2 GLN 45 HE21 GLN 45 -3.165 -9.255 -10.003 346 2HE2 GLN 45 HE22 GLN 45 -1.629 -9.541 -10.662 347 H TRP 46 HN TRP 46 -2.539 -6.356 -4.115 348 HA TRP 46 HA TRP 46 -0.178 -5.357 -3.141 349 1HB TRP 46 HB2 TRP 46 -2.513 -6.636 -1.689 350 2HB TRP 46 HB1 TRP 46 -1.293 -5.664 -0.883 351 HD1 TRP 46 HD1 TRP 46 -1.796 -4.207 -4.197 352 HE1 TRP 46 HE1 TRP 46 -3.350 -2.156 -4.075 353 HE3 TRP 46 HE3 TRP 46 -3.740 -4.853 0.457 354 HZ2 TRP 46 HZ2 TRP 46 -5.201 -0.976 -2.257 355 HZ3 TRP 46 HZ3 TRP 46 -5.415 -3.261 1.359 356 HH2 TRP 46 HH2 TRP 46 -6.151 -1.320 -0.003 357 H ALA 47 HN ALA 47 -1.435 -8.619 -2.711 358 HA ALA 47 HA ALA 47 0.546 -9.585 -0.882 359 1HB ALA 47 HB1 ALA 47 -1.544 -10.676 -1.195 360 2HB ALA 47 HB2 ALA 47 -0.318 -11.780 -1.824 361 3HB ALA 47 HB3 ALA 47 -1.286 -10.805 -2.932 362 H GLN 48 HN GLN 48 0.727 -8.926 -4.280 363 HA GLN 48 HA GLN 48 3.398 -10.275 -4.333 364 1HB GLN 48 HB2 GLN 48 1.296 -10.282 -6.526 365 2HB GLN 48 HB1 GLN 48 2.841 -11.138 -6.554 366 1HG GLN 48 HG2 GLN 48 2.151 -12.463 -4.596 367 2HG GLN 48 HG1 GLN 48 0.608 -11.617 -4.560 368 1HE2 GLN 48 HE21 GLN 48 -0.663 -11.783 -6.751 369 2HE2 GLN 48 HE22 GLN 48 -0.611 -13.290 -7.535 370 H HIS 49 HN HIS 49 1.990 -7.468 -4.236 371 HA HIS 49 HA HIS 49 3.198 -6.144 -6.594 372 1HB HIS 49 HB2 HIS 49 0.900 -5.673 -5.969 373 2HB HIS 49 HB1 HIS 49 1.390 -5.308 -4.316 374 HD1 HIS 49 HD1 HIS 49 -0.025 -3.050 -5.488 375 HD2 HIS 49 HD2 HIS 49 4.033 -3.600 -6.276 376 HE1 HIS 49 HE1 HIS 49 0.889 -0.789 -6.169 377 H ILE 50 HN ILE 50 5.410 -6.605 -5.715 378 HA ILE 50 HA ILE 50 6.529 -5.803 -3.308 379 HB ILE 50 HB ILE 50 7.591 -5.753 -6.142 380 1HG1 ILE 50 HG12 ILE 50 6.799 -7.927 -5.150 381 2HG1 ILE 50 HG11 ILE 50 8.513 -7.921 -5.566 382 1HG2 ILE 50 HG21 ILE 50 9.835 -6.036 -4.753 383 2HG2 ILE 50 HG22 ILE 50 8.930 -5.163 -3.517 384 3HG2 ILE 50 HG23 ILE 50 9.201 -4.432 -5.100 385 1HD1 ILE 50 HD11 ILE 50 7.710 -7.077 -2.807 386 2HD1 ILE 50 HD12 ILE 50 9.189 -7.866 -3.340 387 3HD1 ILE 50 HD13 ILE 50 7.696 -8.795 -3.193 388 H VAL 51 HN VAL 51 6.866 -3.927 -2.393 389 HA VAL 51 HA VAL 51 6.258 -1.390 -3.785 390 HB VAL 51 HB VAL 51 6.971 -2.117 -0.935 391 1HG1 VAL 51 HG11 VAL 51 5.422 -0.030 -0.660 392 2HG1 VAL 51 HG12 VAL 51 5.907 0.302 -2.322 393 3HG1 VAL 51 HG13 VAL 51 7.125 0.181 -1.052 394 1HG2 VAL 51 HG21 VAL 51 4.948 -3.286 -2.160 395 2HG2 VAL 51 HG22 VAL 51 4.170 -1.720 -1.966 396 3HG2 VAL 51 HG23 VAL 51 4.721 -2.616 -0.555 397 H GLN 52 HN GLN 52 7.841 0.227 -3.988 398 HA GLN 52 HA GLN 52 10.659 -0.687 -3.532 399 1HB GLN 52 HB2 GLN 52 9.419 1.314 -5.419 400 2HB GLN 52 HB1 GLN 52 11.141 0.953 -5.314 401 1HG GLN 52 HG2 GLN 52 9.049 -1.162 -5.889 402 2HG GLN 52 HG1 GLN 52 9.910 -0.292 -7.159 403 1HE2 GLN 52 HE21 GLN 52 10.502 -2.369 -4.284 404 2HE2 GLN 52 HE22 GLN 52 11.950 -3.025 -4.877 405 H ASP 53 HN ASP 53 12.198 0.858 -2.826 406 HA ASP 53 HA ASP 53 11.499 2.703 -0.801 407 1HB ASP 53 HB2 ASP 53 13.737 2.125 -0.855 408 2HB ASP 53 HB1 ASP 53 13.780 2.132 -2.615 409 H GLY 54 HN GLY 54 10.248 4.373 -1.110 410 1HA GLY 54 HA2 GLY 54 9.976 6.678 -1.975 411 2HA GLY 54 HA1 GLY 54 10.481 6.054 -3.558 412 H ASP 55 HN ASP 55 8.777 3.723 -1.899 413 HA ASP 55 HA ASP 55 6.730 3.370 -3.691 414 1HB ASP 55 HB2 ASP 55 7.126 1.724 -2.128 415 2HB ASP 55 HB1 ASP 55 7.171 2.864 -0.789 416 H GLN 56 HN GLN 56 5.465 5.182 -4.324 417 HA GLN 56 HA GLN 56 4.305 6.897 -2.192 418 1HB GLN 56 HB2 GLN 56 5.021 8.105 -4.069 419 2HB GLN 56 HB1 GLN 56 4.485 6.870 -5.203 420 1HG GLN 56 HG2 GLN 56 2.546 7.936 -5.454 421 2HG GLN 56 HG1 GLN 56 2.209 7.785 -3.731 422 1HE2 GLN 56 HE21 GLN 56 1.489 9.975 -3.279 423 2HE2 GLN 56 HE22 GLN 56 2.457 11.342 -3.556 424 H ILE 57 HN ILE 57 1.988 6.868 -1.766 425 HA ILE 57 HA ILE 57 0.534 4.646 -3.134 426 HB ILE 57 HB ILE 57 1.018 5.114 -0.200 427 1HG1 ILE 57 HG12 ILE 57 1.460 2.661 -1.908 428 2HG1 ILE 57 HG11 ILE 57 2.720 3.829 -1.502 429 1HG2 ILE 57 HG21 ILE 57 -0.438 2.977 -0.027 430 2HG2 ILE 57 HG22 ILE 57 -1.072 3.484 -1.594 431 3HG2 ILE 57 HG23 ILE 57 -1.237 4.541 -0.195 432 1HD1 ILE 57 HD11 ILE 57 2.652 1.860 0.036 433 2HD1 ILE 57 HD12 ILE 57 1.036 2.360 0.529 434 3HD1 ILE 57 HD13 ILE 57 2.419 3.402 0.861 435 H LEU 58 HN LEU 58 -1.687 4.859 -3.196 436 HA LEU 58 HA LEU 58 -2.860 7.363 -2.076 437 1HB LEU 58 HB2 LEU 58 -2.685 6.362 -4.764 438 2HB LEU 58 HB1 LEU 58 -4.377 6.478 -4.281 439 HG LEU 58 HG LEU 58 -2.610 8.795 -3.610 440 1HD1 LEU 58 HD11 LEU 58 -3.458 8.009 -6.403 441 2HD1 LEU 58 HD12 LEU 58 -1.858 8.492 -5.846 442 3HD1 LEU 58 HD13 LEU 58 -3.144 9.692 -5.963 443 1HD2 LEU 58 HD21 LEU 58 -4.630 10.040 -4.103 444 2HD2 LEU 58 HD22 LEU 58 -5.046 8.684 -3.055 445 3HD2 LEU 58 HD23 LEU 58 -5.395 8.597 -4.784 446 H LEU 59 HN LEU 59 -4.465 6.810 -0.555 447 HA LEU 59 HA LEU 59 -5.389 3.978 -0.678 448 1HB LEU 59 HB2 LEU 59 -4.269 4.651 1.353 449 2HB LEU 59 HB1 LEU 59 -5.339 6.040 1.535 450 HG LEU 59 HG LEU 59 -7.266 4.552 1.808 451 1HD1 LEU 59 HD11 LEU 59 -7.090 2.175 1.782 452 2HD1 LEU 59 HD12 LEU 59 -5.329 2.230 1.717 453 3HD1 LEU 59 HD13 LEU 59 -6.287 2.739 0.325 454 1HD2 LEU 59 HD21 LEU 59 -6.388 5.023 3.902 455 2HD2 LEU 59 HD22 LEU 59 -4.844 4.257 3.544 456 3HD2 LEU 59 HD23 LEU 59 -6.258 3.266 3.904 457 H PHE 60 HN PHE 60 -7.377 3.472 -1.127 458 HA PHE 60 HA PHE 60 -9.613 5.332 -0.607 459 1HB PHE 60 HB2 PHE 60 -10.430 4.365 -2.984 460 2HB PHE 60 HB1 PHE 60 -9.478 5.836 -2.876 461 HD1 PHE 60 HD1 PHE 60 -9.732 2.672 -4.420 462 HD2 PHE 60 HD2 PHE 60 -6.838 5.469 -2.903 463 HE1 PHE 60 HE1 PHE 60 -7.998 1.695 -5.912 464 HE2 PHE 60 HE2 PHE 60 -5.110 4.487 -4.379 465 HZ PHE 60 HZ PHE 60 -5.686 2.594 -5.890 466 H GLN 61 HN GLN 61 -10.843 4.019 0.776 467 HA GLN 61 HA GLN 61 -10.992 1.088 0.120 468 1HB GLN 61 HB2 GLN 61 -10.603 0.650 2.496 469 2HB GLN 61 HB1 GLN 61 -9.309 1.662 1.864 470 1HG GLN 61 HG2 GLN 61 -9.761 3.148 3.488 471 2HG GLN 61 HG1 GLN 61 -11.308 3.458 2.704 472 1HE2 GLN 61 HE21 GLN 61 -9.759 1.879 5.436 473 2HE2 GLN 61 HE22 GLN 61 -11.184 1.336 6.183 474 H VAL 62 HN VAL 62 -12.613 -0.010 1.569 475 HA VAL 62 HA VAL 62 -14.906 1.593 2.480 476 HB VAL 62 HB VAL 62 -15.507 1.371 0.180 477 1HG1 VAL 62 HG11 VAL 62 -13.795 -0.212 -0.517 478 2HG1 VAL 62 HG12 VAL 62 -15.372 -0.835 -1.001 479 3HG1 VAL 62 HG13 VAL 62 -14.557 -1.500 0.415 480 1HG2 VAL 62 HG21 VAL 62 -16.729 -0.940 1.729 481 2HG2 VAL 62 HG22 VAL 62 -17.376 -0.287 0.226 482 3HG2 VAL 62 HG23 VAL 62 -17.330 0.718 1.673 483 H ILE 63 HN ILE 63 -16.079 0.329 4.091 484 HA ILE 63 HA ILE 63 -14.883 -2.387 4.514 485 HB ILE 63 HB ILE 63 -15.959 -0.624 6.710 486 1HG1 ILE 63 HG12 ILE 63 -14.311 0.729 5.495 487 2HG1 ILE 63 HG11 ILE 63 -13.605 0.176 7.011 488 1HG2 ILE 63 HG21 ILE 63 -14.316 -3.094 6.418 489 2HG2 ILE 63 HG22 ILE 63 -15.527 -2.682 7.633 490 3HG2 ILE 63 HG23 ILE 63 -13.903 -2.003 7.742 491 1HD1 ILE 63 HD11 ILE 63 -13.138 -1.756 4.874 492 2HD1 ILE 63 HD12 ILE 63 -11.974 -0.947 5.925 493 3HD1 ILE 63 HD13 ILE 63 -12.516 -0.167 4.441 494 H ALA 64 HN ALA 64 -16.491 -3.612 3.573 495 HA ALA 64 HA ALA 64 -19.216 -3.316 4.771 496 1HB ALA 64 HB1 ALA 64 -19.173 -4.448 2.106 497 2HB ALA 64 HB2 ALA 64 -18.275 -2.933 2.150 498 3HB ALA 64 HB3 ALA 64 -19.956 -2.972 2.677 499 H GLY 65 HN GLY 65 -19.637 -5.154 6.052 500 1HA GLY 65 HA2 GLY 65 -20.093 -7.567 6.155 501 2HA GLY 65 HA1 GLY 65 -18.868 -7.808 4.909 502 H GLY 66 HN GLY 66 -17.235 -9.002 5.833 503 1HA GLY 66 HA2 GLY 66 -15.267 -9.179 7.171 504 2HA GLY 66 HA1 GLY 66 -15.855 -7.838 8.153 Start of MODEL 20 1 1H MET 1 HT1 MET 1 14.090 1.016 2.701 2 2H MET 1 HT2 MET 1 14.527 2.587 3.177 3 3H MET 1 HT3 MET 1 15.368 1.813 1.918 4 HA MET 1 HA MET 1 13.993 3.033 0.615 5 1HB MET 1 HB2 MET 1 12.550 1.509 -0.266 6 2HB MET 1 HB1 MET 1 13.436 0.446 0.817 7 1HG MET 1 HG2 MET 1 11.307 -0.069 1.459 8 2HG MET 1 HG1 MET 1 11.600 1.310 2.518 9 1HE MET 1 HE1 MET 1 9.024 1.213 -1.288 10 2HE MET 1 HE2 MET 1 9.516 -0.178 -0.328 11 3HE MET 1 HE3 MET 1 10.715 0.696 -1.274 12 H GLN 2 HN GLN 2 11.770 4.060 0.330 13 HA GLN 2 HA GLN 2 10.449 4.710 2.898 14 1HB GLN 2 HB2 GLN 2 12.243 6.305 2.662 15 2HB GLN 2 HB1 GLN 2 11.776 6.631 0.997 16 1HG GLN 2 HG2 GLN 2 9.455 7.217 2.201 17 2HG GLN 2 HG1 GLN 2 10.548 7.589 3.528 18 1HE2 GLN 2 HE21 GLN 2 10.151 9.931 3.262 19 2HE2 GLN 2 HE22 GLN 2 10.818 10.778 1.950 20 H ILE 3 HN ILE 3 8.407 5.726 2.606 21 HA ILE 3 HA ILE 3 7.328 5.607 -0.131 22 HB ILE 3 HB ILE 3 5.855 3.932 0.462 23 1HG1 ILE 3 HG12 ILE 3 6.046 5.191 3.133 24 2HG1 ILE 3 HG11 ILE 3 4.632 4.584 2.292 25 1HG2 ILE 3 HG21 ILE 3 7.137 2.240 1.785 26 2HG2 ILE 3 HG22 ILE 3 8.274 3.506 2.241 27 3HG2 ILE 3 HG23 ILE 3 8.099 3.038 0.550 28 1HD1 ILE 3 HD11 ILE 3 5.131 2.315 2.927 29 2HD1 ILE 3 HD12 ILE 3 5.276 3.302 4.382 30 3HD1 ILE 3 HD13 ILE 3 6.723 2.772 3.534 31 H LEU 4 HN LEU 4 4.934 6.164 0.017 32 HA LEU 4 HA LEU 4 4.437 8.255 2.103 33 1HB LEU 4 HB2 LEU 4 4.920 9.228 -0.155 34 2HB LEU 4 HB1 LEU 4 3.620 8.241 -0.829 35 HG LEU 4 HG LEU 4 2.998 10.670 -0.164 36 1HD1 LEU 4 HD11 LEU 4 1.272 8.773 1.327 37 2HD1 LEU 4 HD12 LEU 4 1.556 8.409 -0.375 38 3HD1 LEU 4 HD13 LEU 4 0.842 9.953 0.086 39 1HD2 LEU 4 HD21 LEU 4 4.275 10.353 2.063 40 2HD2 LEU 4 HD22 LEU 4 2.851 9.461 2.590 41 3HD2 LEU 4 HD23 LEU 4 2.711 11.155 2.117 42 H PHE 5 HN PHE 5 2.961 7.129 3.372 43 HA PHE 5 HA PHE 5 0.883 5.526 1.971 44 1HB PHE 5 HB2 PHE 5 2.375 4.481 3.699 45 2HB PHE 5 HB1 PHE 5 1.714 5.598 4.890 46 HD1 PHE 5 HD1 PHE 5 -0.540 5.331 5.761 47 HD2 PHE 5 HD2 PHE 5 0.962 2.711 2.705 48 HE1 PHE 5 HE1 PHE 5 -2.440 3.783 6.145 49 HE2 PHE 5 HE2 PHE 5 -0.936 1.170 3.088 50 HZ PHE 5 HZ PHE 5 -2.639 1.705 4.810 51 H ASN 6 HN ASN 6 -0.779 6.958 1.516 52 HA ASN 6 HA ASN 6 -2.517 8.457 1.928 53 1HB ASN 6 HB2 ASN 6 -2.709 6.665 3.835 54 2HB ASN 6 HB1 ASN 6 -2.055 7.940 4.862 55 1HD2 ASN 6 HD21 ASN 6 -4.734 6.880 5.182 56 2HD2 ASN 6 HD22 ASN 6 -5.828 8.130 4.833 57 H ASP 7 HN ASP 7 -0.339 9.620 1.369 58 HA ASP 7 HA ASP 7 0.885 11.607 1.517 59 1HB ASP 7 HB2 ASP 7 -1.027 12.644 3.537 60 2HB ASP 7 HB1 ASP 7 -0.441 13.388 2.049 61 H GLN 8 HN GLN 8 1.159 9.346 3.554 62 HA GLN 8 HA GLN 8 2.526 10.955 5.702 63 1HB GLN 8 HB2 GLN 8 1.505 8.106 5.799 64 2HB GLN 8 HB1 GLN 8 2.025 9.094 7.163 65 1HG GLN 8 HG2 GLN 8 0.017 10.489 5.630 66 2HG GLN 8 HG1 GLN 8 -0.582 8.904 6.115 67 1HE2 GLN 8 HE21 GLN 8 0.521 8.533 8.629 68 2HE2 GLN 8 HE22 GLN 8 0.031 9.774 9.683 69 H ALA 9 HN ALA 9 4.694 10.923 5.323 70 HA ALA 9 HA ALA 9 5.951 9.056 3.527 71 1HB ALA 9 HB1 ALA 9 6.504 11.501 4.583 72 2HB ALA 9 HB2 ALA 9 7.688 10.501 3.737 73 3HB ALA 9 HB3 ALA 9 7.616 10.483 5.501 74 H MET 10 HN MET 10 7.324 7.351 3.947 75 HA MET 10 HA MET 10 7.524 6.306 6.768 76 1HB MET 10 HB2 MET 10 5.639 5.506 4.980 77 2HB MET 10 HB1 MET 10 6.981 4.459 4.541 78 1HG MET 10 HG2 MET 10 5.916 3.172 6.121 79 2HG MET 10 HG1 MET 10 7.126 3.992 7.097 80 1HE MET 10 HE1 MET 10 3.354 5.242 5.762 81 2HE MET 10 HE2 MET 10 2.660 4.243 7.035 82 3HE MET 10 HE3 MET 10 3.782 3.533 5.881 83 H GLN 11 HN GLN 11 8.832 4.219 6.708 84 HA GLN 11 HA GLN 11 10.723 3.944 4.482 85 1HB GLN 11 HB2 GLN 11 11.961 3.686 7.133 86 2HB GLN 11 HB1 GLN 11 12.638 4.346 5.656 87 1HG GLN 11 HG2 GLN 11 12.473 6.325 6.760 88 2HG GLN 11 HG1 GLN 11 10.797 6.257 6.231 89 1HE2 GLN 11 HE21 GLN 11 10.078 7.421 8.184 90 2HE2 GLN 11 HE22 GLN 11 10.046 6.650 9.694 91 H CYS 12 HN CYS 12 10.584 1.919 4.014 92 HA CYS 12 HA CYS 12 10.410 -0.173 6.132 93 1HB CYS 12 HB2 CYS 12 8.419 -1.106 4.972 94 2HB CYS 12 HB1 CYS 12 8.134 0.509 5.616 95 HG CYS 12 HG CYS 12 8.969 0.282 2.627 96 H ALA 13 HN ALA 13 9.783 -2.270 4.431 97 HA ALA 13 HA ALA 13 12.351 -2.865 3.312 98 1HB ALA 13 HB1 ALA 13 11.486 -5.008 3.246 99 2HB ALA 13 HB2 ALA 13 9.895 -4.451 2.730 100 3HB ALA 13 HB3 ALA 13 10.387 -4.272 4.414 101 H ALA 14 HN ALA 14 12.940 -1.861 1.381 102 HA ALA 14 HA ALA 14 11.060 -1.193 -0.723 103 1HB ALA 14 HB1 ALA 14 13.909 -1.035 -0.149 104 2HB ALA 14 HB2 ALA 14 12.936 -0.014 -1.208 105 3HB ALA 14 HB3 ALA 14 13.629 -1.515 -1.820 106 H GLY 15 HN GLY 15 10.644 -2.390 -2.627 107 1HA GLY 15 HA2 GLY 15 10.730 -4.224 -4.121 108 2HA GLY 15 HA1 GLY 15 11.960 -4.942 -3.087 109 H GLN 16 HN GLN 16 9.599 -3.972 -1.045 110 HA GLN 16 HA GLN 16 8.485 -6.701 -0.804 111 1HB GLN 16 HB2 GLN 16 8.396 -6.117 1.399 112 2HB GLN 16 HB1 GLN 16 9.415 -4.769 0.917 113 1HG GLN 16 HG2 GLN 16 7.270 -3.478 0.440 114 2HG GLN 16 HG1 GLN 16 6.407 -4.780 1.257 115 1HE2 GLN 16 HE21 GLN 16 8.265 -1.912 1.725 116 2HE2 GLN 16 HE22 GLN 16 8.335 -1.985 3.412 117 H THR 17 HN THR 17 6.277 -7.115 -1.481 118 HA THR 17 HA THR 17 4.913 -5.205 -3.067 119 HB THR 17 HB THR 17 3.154 -6.691 -3.109 120 HG1 THR 17 HG1 THR 17 3.478 -8.181 -0.905 121 1HG2 THR 17 HG21 THR 17 5.670 -7.823 -3.152 122 2HG2 THR 17 HG22 THR 17 4.180 -8.617 -3.664 123 3HG2 THR 17 HG23 THR 17 4.790 -8.852 -2.026 124 H VAL 18 HN VAL 18 2.405 -5.151 -2.235 125 HA VAL 18 HA VAL 18 2.212 -3.001 -0.261 126 HB VAL 18 HB VAL 18 0.267 -4.801 -1.635 127 1HG1 VAL 18 HG11 VAL 18 -0.012 -2.245 -0.158 128 2HG1 VAL 18 HG12 VAL 18 -0.960 -3.726 -0.018 129 3HG1 VAL 18 HG13 VAL 18 -1.170 -2.676 -1.419 130 1HG2 VAL 18 HG21 VAL 18 1.247 -2.112 -2.526 131 2HG2 VAL 18 HG22 VAL 18 0.230 -3.230 -3.438 132 3HG2 VAL 18 HG23 VAL 18 1.916 -3.631 -3.110 133 H HIS 19 HN HIS 19 0.831 -6.261 -0.668 134 HA HIS 19 HA HIS 19 -0.250 -6.654 1.909 135 1HB HIS 19 HB2 HIS 19 -0.313 -8.130 -0.189 136 2HB HIS 19 HB1 HIS 19 1.337 -8.608 0.194 137 HD1 HIS 19 HD1 HIS 19 -2.203 -9.155 1.213 138 HD2 HIS 19 HD2 HIS 19 1.586 -10.156 2.633 139 HE1 HIS 19 HE1 HIS 19 -2.550 -10.932 2.982 140 H GLU 20 HN GLU 20 2.934 -6.527 0.573 141 HA GLU 20 HA GLU 20 4.251 -7.488 3.073 142 1HB GLU 20 HB2 GLU 20 5.206 -6.438 0.395 143 2HB GLU 20 HB1 GLU 20 6.307 -6.933 1.682 144 1HG GLU 20 HG2 GLU 20 4.123 -8.767 0.695 145 2HG GLU 20 HG1 GLU 20 5.699 -8.706 -0.100 146 H LEU 21 HN LEU 21 3.638 -4.484 1.291 147 HA LEU 21 HA LEU 21 5.205 -2.755 3.007 148 1HB LEU 21 HB2 LEU 21 4.152 -2.501 0.606 149 2HB LEU 21 HB1 LEU 21 2.709 -2.000 1.474 150 HG LEU 21 HG LEU 21 4.280 -0.134 0.708 151 1HD1 LEU 21 HD11 LEU 21 3.329 1.110 2.318 152 2HD1 LEU 21 HD12 LEU 21 4.201 0.252 3.587 153 3HD1 LEU 21 HD13 LEU 21 2.686 -0.402 2.967 154 1HD2 LEU 21 HD21 LEU 21 6.399 0.010 1.493 155 2HD2 LEU 21 HD22 LEU 21 6.214 -1.701 1.870 156 3HD2 LEU 21 HD23 LEU 21 5.929 -0.490 3.119 157 H LEU 22 HN LEU 22 1.666 -3.177 2.732 158 HA LEU 22 HA LEU 22 0.783 -1.811 5.001 159 1HB LEU 22 HB2 LEU 22 -0.046 -4.321 3.549 160 2HB LEU 22 HB1 LEU 22 -0.987 -3.735 4.921 161 HG LEU 22 HG LEU 22 -0.277 -2.010 2.541 162 1HD1 LEU 22 HD11 LEU 22 -3.040 -3.060 2.999 163 2HD1 LEU 22 HD12 LEU 22 -1.860 -4.168 2.292 164 3HD1 LEU 22 HD13 LEU 22 -2.235 -2.644 1.484 165 1HD2 LEU 22 HD21 LEU 22 -1.826 -0.484 3.491 166 2HD2 LEU 22 HD22 LEU 22 -0.867 -1.061 4.854 167 3HD2 LEU 22 HD23 LEU 22 -2.481 -1.708 4.578 168 H GLU 23 HN GLU 23 1.469 -5.267 4.764 169 HA GLU 23 HA GLU 23 1.213 -5.953 7.504 170 1HB GLU 23 HB2 GLU 23 1.392 -7.382 5.419 171 2HB GLU 23 HB1 GLU 23 3.131 -7.104 5.471 172 1HG GLU 23 HG2 GLU 23 1.743 -8.109 7.931 173 2HG GLU 23 HG1 GLU 23 2.100 -9.241 6.625 174 H GLN 24 HN GLN 24 4.071 -4.821 5.672 175 HA GLN 24 HA GLN 24 5.970 -5.109 7.814 176 1HB GLN 24 HB2 GLN 24 6.438 -4.784 5.375 177 2HB GLN 24 HB1 GLN 24 5.865 -3.123 5.519 178 1HG GLN 24 HG2 GLN 24 8.138 -4.270 7.150 179 2HG GLN 24 HG1 GLN 24 8.360 -3.361 5.659 180 1HE2 GLN 24 HE21 GLN 24 6.431 -1.325 5.972 181 2HE2 GLN 24 HE22 GLN 24 6.845 -0.370 7.313 182 H LEU 25 HN LEU 25 3.930 -2.399 6.725 183 HA LEU 25 HA LEU 25 4.787 -0.507 8.695 184 1HB LEU 25 HB2 LEU 25 2.178 -0.889 7.192 185 2HB LEU 25 HB1 LEU 25 2.668 0.598 8.000 186 HG LEU 25 HG LEU 25 4.176 -0.723 5.720 187 1HD1 LEU 25 HD11 LEU 25 2.273 0.194 4.699 188 2HD1 LEU 25 HD12 LEU 25 3.391 1.558 4.649 189 3HD1 LEU 25 HD13 LEU 25 2.140 1.489 5.889 190 1HD2 LEU 25 HD21 LEU 25 5.396 0.739 7.514 191 2HD2 LEU 25 HD22 LEU 25 4.571 2.081 6.730 192 3HD2 LEU 25 HD23 LEU 25 5.679 1.067 5.805 193 H ASP 26 HN ASP 26 2.813 -3.327 8.776 194 HA ASP 26 HA ASP 26 1.881 -4.449 10.634 195 1HB ASP 26 HB2 ASP 26 3.618 -3.028 11.884 196 2HB ASP 26 HB1 ASP 26 2.308 -1.887 12.156 197 H GLN 27 HN GLN 27 0.507 -2.910 8.644 198 HA GLN 27 HA GLN 27 -2.012 -2.312 10.136 199 1HB GLN 27 HB2 GLN 27 -2.227 -0.459 8.282 200 2HB GLN 27 HB1 GLN 27 -1.207 -0.139 9.685 201 1HG GLN 27 HG2 GLN 27 0.787 -0.591 8.475 202 2HG GLN 27 HG1 GLN 27 -0.093 -1.364 7.156 203 1HE2 GLN 27 HE21 GLN 27 -0.763 1.771 8.794 204 2HE2 GLN 27 HE22 GLN 27 -0.640 2.703 7.381 205 H ARG 28 HN ARG 28 -3.523 -3.727 9.307 206 HA ARG 28 HA ARG 28 -3.012 -5.051 6.752 207 1HB ARG 28 HB2 ARG 28 -5.116 -5.207 8.922 208 2HB ARG 28 HB1 ARG 28 -5.156 -6.230 7.482 209 1HG ARG 28 HG2 ARG 28 -2.702 -6.042 9.239 210 2HG ARG 28 HG1 ARG 28 -3.985 -7.211 9.551 211 1HD ARG 28 HD2 ARG 28 -3.702 -7.881 7.055 212 2HD ARG 28 HD1 ARG 28 -2.146 -7.034 7.166 213 HE ARG 28 HE ARG 28 -2.350 -8.681 9.455 214 1HH1 ARG 28 HH11 ARG 28 -0.015 -8.846 7.659 215 2HH1 ARG 28 HH12 ARG 28 -0.169 -10.426 6.970 216 1HH2 ARG 28 HH21 ARG 28 -3.502 -10.776 7.862 217 2HH2 ARG 28 HH22 ARG 28 -2.144 -11.520 7.085 218 H GLN 29 HN GLN 29 -6.310 -4.741 7.145 219 HA GLN 29 HA GLN 29 -6.972 -2.236 6.008 220 1HB GLN 29 HB2 GLN 29 -7.189 -3.129 3.610 221 2HB GLN 29 HB1 GLN 29 -5.550 -2.826 4.173 222 1HG GLN 29 HG2 GLN 29 -5.091 -4.970 3.589 223 2HG GLN 29 HG1 GLN 29 -6.054 -5.448 4.983 224 1HE2 GLN 29 HE21 GLN 29 -7.629 -6.938 4.437 225 2HE2 GLN 29 HE22 GLN 29 -8.459 -6.985 2.959 226 H ALA 30 HN ALA 30 -7.606 -5.722 6.050 227 HA ALA 30 HA ALA 30 -9.653 -6.885 6.364 228 1HB ALA 30 HB1 ALA 30 -11.266 -4.429 6.604 229 2HB ALA 30 HB2 ALA 30 -9.882 -4.473 7.697 230 3HB ALA 30 HB3 ALA 30 -11.081 -5.764 7.742 231 H GLY 31 HN GLY 31 -10.610 -3.796 4.855 232 1HA GLY 31 HA2 GLY 31 -11.111 -5.157 2.273 233 2HA GLY 31 HA1 GLY 31 -12.500 -4.382 3.052 234 H ALA 32 HN ALA 32 -9.259 -3.128 3.397 235 HA ALA 32 HA ALA 32 -10.075 -0.518 2.353 236 1HB ALA 32 HB1 ALA 32 -8.231 -1.554 4.158 237 2HB ALA 32 HB2 ALA 32 -8.293 0.123 3.615 238 3HB ALA 32 HB3 ALA 32 -7.225 -1.028 2.811 239 H ALA 33 HN ALA 33 -8.728 0.585 0.688 240 HA ALA 33 HA ALA 33 -7.416 -1.271 -1.261 241 1HB ALA 33 HB1 ALA 33 -9.967 0.013 -1.525 242 2HB ALA 33 HB2 ALA 33 -9.127 -0.995 -2.701 243 3HB ALA 33 HB3 ALA 33 -8.855 0.746 -2.681 244 H LEU 34 HN LEU 34 -5.959 0.053 -2.769 245 HA LEU 34 HA LEU 34 -5.384 2.763 -1.707 246 1HB LEU 34 HB2 LEU 34 -3.597 2.061 -0.526 247 2HB LEU 34 HB1 LEU 34 -4.159 0.424 -0.811 248 HG LEU 34 HG LEU 34 -2.840 0.806 -3.136 249 1HD1 LEU 34 HD11 LEU 34 -0.830 2.110 -1.447 250 2HD1 LEU 34 HD12 LEU 34 -2.234 3.123 -1.785 251 3HD1 LEU 34 HD13 LEU 34 -1.296 2.451 -3.115 252 1HD2 LEU 34 HD21 LEU 34 -1.494 0.118 -0.498 253 2HD2 LEU 34 HD22 LEU 34 -0.945 -0.371 -2.104 254 3HD2 LEU 34 HD23 LEU 34 -2.461 -1.001 -1.461 255 H ALA 35 HN ALA 35 -3.701 3.925 -2.985 256 HA ALA 35 HA ALA 35 -3.426 2.832 -5.771 257 1HB ALA 35 HB1 ALA 35 -3.577 5.722 -5.616 258 2HB ALA 35 HB2 ALA 35 -4.995 4.979 -4.868 259 3HB ALA 35 HB3 ALA 35 -4.582 4.609 -6.542 260 H ILE 36 HN ILE 36 -1.260 2.563 -6.097 261 HA ILE 36 HA ILE 36 0.619 4.222 -4.492 262 HB ILE 36 HB ILE 36 1.131 1.874 -6.350 263 1HG1 ILE 36 HG12 ILE 36 0.612 2.037 -3.366 264 2HG1 ILE 36 HG11 ILE 36 -0.293 1.107 -4.561 265 1HG2 ILE 36 HG21 ILE 36 2.901 3.714 -5.257 266 2HG2 ILE 36 HG22 ILE 36 3.324 2.095 -5.815 267 3HG2 ILE 36 HG23 ILE 36 2.952 2.375 -4.115 268 1HD1 ILE 36 HD11 ILE 36 2.370 0.540 -3.336 269 2HD1 ILE 36 HD12 ILE 36 2.120 0.055 -5.016 270 3HD1 ILE 36 HD13 ILE 36 1.063 -0.572 -3.752 271 H ASN 37 HN ASN 37 1.973 5.775 -5.460 272 HA ASN 37 HA ASN 37 2.794 7.190 -7.181 273 1HB ASN 37 HB2 ASN 37 2.618 4.412 -8.279 274 2HB ASN 37 HB1 ASN 37 2.924 5.713 -9.427 275 1HD2 ASN 37 HD21 ASN 37 4.354 3.756 -6.934 276 2HD2 ASN 37 HD22 ASN 37 5.878 4.501 -6.936 277 H GLN 38 HN GLN 38 -0.183 6.684 -6.696 278 HA GLN 38 HA GLN 38 -2.103 7.822 -7.514 279 1HB GLN 38 HB2 GLN 38 -1.802 9.367 -9.186 280 2HB GLN 38 HB1 GLN 38 -0.099 9.016 -8.911 281 1HG GLN 38 HG2 GLN 38 -0.085 8.610 -11.152 282 2HG GLN 38 HG1 GLN 38 -0.732 7.041 -10.685 283 1HE2 GLN 38 HE21 GLN 38 -2.831 6.531 -11.421 284 2HE2 GLN 38 HE22 GLN 38 -3.864 7.636 -12.190 285 H GLN 39 HN GLN 39 -0.673 5.021 -8.632 286 HA GLN 39 HA GLN 39 -2.840 4.388 -10.543 287 1HB GLN 39 HB2 GLN 39 -1.517 2.483 -11.074 288 2HB GLN 39 HB1 GLN 39 -0.335 3.745 -10.742 289 1HG GLN 39 HG2 GLN 39 -0.635 2.738 -8.252 290 2HG GLN 39 HG1 GLN 39 -0.978 1.294 -9.199 291 1HE2 GLN 39 HE21 GLN 39 0.775 1.612 -11.375 292 2HE2 GLN 39 HE22 GLN 39 2.377 1.614 -10.818 293 H ILE 40 HN ILE 40 -4.763 3.848 -9.565 294 HA ILE 40 HA ILE 40 -4.860 2.795 -6.862 295 HB ILE 40 HB ILE 40 -6.799 3.228 -9.136 296 1HG1 ILE 40 HG12 ILE 40 -7.897 4.586 -7.243 297 2HG1 ILE 40 HG11 ILE 40 -6.402 4.317 -6.345 298 1HG2 ILE 40 HG21 ILE 40 -7.079 1.306 -6.940 299 2HG2 ILE 40 HG22 ILE 40 -8.073 1.511 -8.382 300 3HG2 ILE 40 HG23 ILE 40 -8.374 2.505 -6.957 301 1HD1 ILE 40 HD11 ILE 40 -5.130 5.286 -8.277 302 2HD1 ILE 40 HD12 ILE 40 -6.228 6.441 -7.523 303 3HD1 ILE 40 HD13 ILE 40 -6.670 5.669 -9.046 304 H VAL 41 HN VAL 41 -4.204 0.751 -6.427 305 HA VAL 41 HA VAL 41 -4.537 -1.342 -8.533 306 HB VAL 41 HB VAL 41 -2.933 -1.292 -5.978 307 1HG1 VAL 41 HG11 VAL 41 -2.009 -3.343 -6.680 308 2HG1 VAL 41 HG12 VAL 41 -2.553 -3.127 -8.345 309 3HG1 VAL 41 HG13 VAL 41 -3.718 -3.513 -7.078 310 1HG2 VAL 41 HG21 VAL 41 -2.527 -0.018 -8.520 311 2HG2 VAL 41 HG22 VAL 41 -1.340 -1.312 -8.353 312 3HG2 VAL 41 HG23 VAL 41 -1.438 -0.043 -7.131 313 HA PRO 42 HA PRO 42 -7.572 -3.112 -5.993 314 1HB PRO 42 HB2 PRO 42 -7.518 -5.624 -7.033 315 2HB PRO 42 HB1 PRO 42 -8.308 -4.242 -7.793 316 1HG PRO 42 HG2 PRO 42 -5.716 -5.530 -8.431 317 2HG PRO 42 HG1 PRO 42 -6.904 -4.797 -9.522 318 1HD PRO 42 HD2 PRO 42 -4.582 -3.571 -8.714 319 2HD PRO 42 HD1 PRO 42 -6.032 -2.712 -9.271 320 H ARG 43 HN ARG 43 -7.264 -3.687 -4.088 321 HA ARG 43 HA ARG 43 -5.263 -4.350 -2.465 322 1HB ARG 43 HB2 ARG 43 -6.928 -6.066 -1.399 323 2HB ARG 43 HB1 ARG 43 -7.399 -4.374 -1.515 324 1HG ARG 43 HG2 ARG 43 -8.168 -5.611 -3.959 325 2HG ARG 43 HG1 ARG 43 -8.687 -6.676 -2.655 326 1HD ARG 43 HD2 ARG 43 -10.187 -5.135 -1.820 327 2HD ARG 43 HD1 ARG 43 -9.172 -3.755 -2.274 328 HE ARG 43 HE ARG 43 -9.870 -4.774 -4.716 329 1HH1 ARG 43 HH21 ARG 43 -12.297 -6.005 -3.584 330 2HH1 ARG 43 HH22 ARG 43 -13.462 -4.724 -3.664 331 1HH2 ARG 43 HH11 ARG 43 -11.084 -2.233 -4.078 332 2HH2 ARG 43 HH12 ARG 43 -12.773 -2.588 -3.944 333 H GLU 44 HN GLU 44 -6.970 -7.011 -4.101 334 HA GLU 44 HA GLU 44 -5.508 -9.194 -3.397 335 1HB GLU 44 HB2 GLU 44 -7.339 -9.431 -4.806 336 2HB GLU 44 HB1 GLU 44 -6.744 -8.213 -5.933 337 1HG GLU 44 HG2 GLU 44 -5.217 -9.686 -6.933 338 2HG GLU 44 HG1 GLU 44 -5.167 -10.743 -5.523 339 H GLN 45 HN GLN 45 -4.524 -6.865 -5.917 340 HA GLN 45 HA GLN 45 -2.135 -8.263 -6.678 341 1HB GLN 45 HB2 GLN 45 -3.003 -5.354 -6.818 342 2HB GLN 45 HB1 GLN 45 -1.549 -5.964 -7.606 343 1HG GLN 45 HG2 GLN 45 -4.341 -7.045 -8.102 344 2HG GLN 45 HG1 GLN 45 -3.528 -5.874 -9.140 345 1HE2 GLN 45 HE21 GLN 45 -2.181 -6.720 -10.752 346 2HE2 GLN 45 HE22 GLN 45 -1.662 -8.333 -10.824 347 H TRP 46 HN TRP 46 -2.822 -6.035 -4.030 348 HA TRP 46 HA TRP 46 -0.436 -5.005 -3.215 349 1HB TRP 46 HB2 TRP 46 -2.546 -6.556 -1.693 350 2HB TRP 46 HB1 TRP 46 -1.261 -5.678 -0.877 351 HD1 TRP 46 HD1 TRP 46 -2.218 -3.781 -3.885 352 HE1 TRP 46 HE1 TRP 46 -3.796 -1.835 -3.260 353 HE3 TRP 46 HE3 TRP 46 -3.481 -5.152 0.868 354 HZ2 TRP 46 HZ2 TRP 46 -5.393 -0.977 -1.012 355 HZ3 TRP 46 HZ3 TRP 46 -5.033 -3.767 2.212 356 HH2 TRP 46 HH2 TRP 46 -5.996 -1.681 1.262 357 H ALA 47 HN ALA 47 -1.387 -8.400 -2.978 358 HA ALA 47 HA ALA 47 0.932 -9.286 -1.507 359 1HB ALA 47 HB1 ALA 47 -1.006 -10.584 -1.404 360 2HB ALA 47 HB2 ALA 47 -0.004 -11.503 -2.525 361 3HB ALA 47 HB3 ALA 47 -1.293 -10.468 -3.136 362 H GLN 48 HN GLN 48 0.580 -8.316 -4.755 363 HA GLN 48 HA GLN 48 3.082 -9.809 -5.470 364 1HB GLN 48 HB2 GLN 48 0.510 -9.369 -7.009 365 2HB GLN 48 HB1 GLN 48 2.001 -9.887 -7.799 366 1HG GLN 48 HG2 GLN 48 1.734 -11.560 -5.553 367 2HG GLN 48 HG1 GLN 48 0.117 -11.451 -6.249 368 1HE2 GLN 48 HE21 GLN 48 3.467 -12.417 -6.948 369 2HE2 GLN 48 HE22 GLN 48 3.098 -13.317 -8.341 370 H HIS 49 HN HIS 49 1.658 -6.858 -4.975 371 HA HIS 49 HA HIS 49 2.905 -5.389 -7.194 372 1HB HIS 49 HB2 HIS 49 0.643 -4.977 -6.169 373 2HB HIS 49 HB1 HIS 49 1.473 -4.451 -4.704 374 HD1 HIS 49 HD1 HIS 49 -0.205 -2.374 -6.212 375 HD2 HIS 49 HD2 HIS 49 3.846 -2.998 -6.973 376 HE1 HIS 49 HE1 HIS 49 0.651 -0.263 -7.315 377 H ILE 50 HN ILE 50 5.160 -6.134 -6.492 378 HA ILE 50 HA ILE 50 6.407 -5.558 -4.070 379 HB ILE 50 HB ILE 50 7.388 -5.424 -6.934 380 1HG1 ILE 50 HG12 ILE 50 6.472 -7.589 -6.021 381 2HG1 ILE 50 HG11 ILE 50 8.169 -7.673 -6.503 382 1HG2 ILE 50 HG21 ILE 50 8.705 -4.604 -4.508 383 2HG2 ILE 50 HG22 ILE 50 9.342 -4.619 -6.151 384 3HG2 ILE 50 HG23 ILE 50 9.494 -6.052 -5.136 385 1HD1 ILE 50 HD11 ILE 50 7.187 -8.441 -4.046 386 2HD1 ILE 50 HD12 ILE 50 7.785 -6.815 -3.719 387 3HD1 ILE 50 HD13 ILE 50 8.870 -8.039 -4.380 388 H VAL 51 HN VAL 51 6.855 -3.759 -3.052 389 HA VAL 51 HA VAL 51 6.292 -1.123 -4.254 390 HB VAL 51 HB VAL 51 7.043 -2.052 -1.465 391 1HG1 VAL 51 HG11 VAL 51 6.419 0.514 -2.698 392 2HG1 VAL 51 HG12 VAL 51 7.206 0.169 -1.155 393 3HG1 VAL 51 HG13 VAL 51 5.444 0.161 -1.273 394 1HG2 VAL 51 HG21 VAL 51 4.871 -2.680 -1.171 395 2HG2 VAL 51 HG22 VAL 51 4.807 -2.752 -2.929 396 3HG2 VAL 51 HG23 VAL 51 4.262 -1.305 -2.083 397 H GLN 52 HN GLN 52 7.880 0.537 -4.418 398 HA GLN 52 HA GLN 52 10.725 -0.399 -4.199 399 1HB GLN 52 HB2 GLN 52 9.184 1.453 -5.981 400 2HB GLN 52 HB1 GLN 52 10.936 1.614 -5.848 401 1HG GLN 52 HG2 GLN 52 11.307 -0.267 -7.071 402 2HG GLN 52 HG1 GLN 52 10.079 -1.174 -6.194 403 1HE2 GLN 52 HE21 GLN 52 8.452 -1.865 -7.572 404 2HE2 GLN 52 HE22 GLN 52 7.867 -0.999 -8.912 405 H ASP 53 HN ASP 53 12.315 1.099 -3.480 406 HA ASP 53 HA ASP 53 11.684 2.751 -1.251 407 1HB ASP 53 HB2 ASP 53 13.891 2.111 -1.316 408 2HB ASP 53 HB1 ASP 53 13.970 2.222 -3.069 409 H GLY 54 HN GLY 54 10.410 4.409 -1.432 410 1HA GLY 54 HA2 GLY 54 10.226 6.817 -2.039 411 2HA GLY 54 HA1 GLY 54 10.715 6.346 -3.678 412 H ASP 55 HN ASP 55 8.926 3.940 -2.205 413 HA ASP 55 HA ASP 55 6.849 3.794 -4.018 414 1HB ASP 55 HB2 ASP 55 7.364 2.023 -2.552 415 2HB ASP 55 HB1 ASP 55 7.144 3.035 -1.125 416 H GLN 56 HN GLN 56 4.694 4.584 -4.037 417 HA GLN 56 HA GLN 56 4.019 6.702 -2.010 418 1HB GLN 56 HB2 GLN 56 4.464 7.842 -4.035 419 2HB GLN 56 HB1 GLN 56 3.787 6.551 -5.015 420 1HG GLN 56 HG2 GLN 56 2.168 8.276 -5.076 421 2HG GLN 56 HG1 GLN 56 1.534 7.098 -3.933 422 1HE2 GLN 56 HE21 GLN 56 4.140 9.505 -3.340 423 2HE2 GLN 56 HE22 GLN 56 3.307 10.331 -2.116 424 H ILE 57 HN ILE 57 1.808 6.620 -1.285 425 HA ILE 57 HA ILE 57 0.205 4.358 -2.405 426 HB ILE 57 HB ILE 57 1.169 4.852 0.392 427 1HG1 ILE 57 HG12 ILE 57 1.040 2.242 -1.081 428 2HG1 ILE 57 HG11 ILE 57 2.366 3.376 -1.363 429 1HG2 ILE 57 HG21 ILE 57 -0.791 4.156 1.225 430 2HG2 ILE 57 HG22 ILE 57 -0.521 2.610 0.420 431 3HG2 ILE 57 HG23 ILE 57 -1.427 3.881 -0.392 432 1HD1 ILE 57 HD11 ILE 57 2.097 3.315 1.410 433 2HD1 ILE 57 HD12 ILE 57 3.351 2.512 0.475 434 3HD1 ILE 57 HD13 ILE 57 1.890 1.633 0.925 435 H LEU 58 HN LEU 58 -1.946 4.768 -2.537 436 HA LEU 58 HA LEU 58 -3.036 7.191 -1.192 437 1HB LEU 58 HB2 LEU 58 -3.269 6.015 -3.849 438 2HB LEU 58 HB1 LEU 58 -4.832 6.425 -3.151 439 HG LEU 58 HG LEU 58 -4.028 8.715 -2.706 440 1HD1 LEU 58 HD11 LEU 58 -1.566 8.149 -4.329 441 2HD1 LEU 58 HD12 LEU 58 -1.561 7.788 -2.603 442 3HD1 LEU 58 HD13 LEU 58 -1.858 9.435 -3.161 443 1HD2 LEU 58 HD21 LEU 58 -4.892 7.804 -5.063 444 2HD2 LEU 58 HD22 LEU 58 -3.260 8.250 -5.563 445 3HD2 LEU 58 HD23 LEU 58 -4.336 9.468 -4.876 446 H LEU 59 HN LEU 59 -5.038 6.852 0.039 447 HA LEU 59 HA LEU 59 -5.536 3.937 0.515 448 1HB LEU 59 HB2 LEU 59 -4.555 5.199 2.385 449 2HB LEU 59 HB1 LEU 59 -5.928 6.308 2.353 450 HG LEU 59 HG LEU 59 -7.468 4.421 2.765 451 1HD1 LEU 59 HD11 LEU 59 -6.281 2.602 1.736 452 2HD1 LEU 59 HD12 LEU 59 -6.395 2.221 3.453 453 3HD1 LEU 59 HD13 LEU 59 -4.885 2.840 2.783 454 1HD2 LEU 59 HD21 LEU 59 -6.732 3.900 5.090 455 2HD2 LEU 59 HD22 LEU 59 -6.606 5.620 4.716 456 3HD2 LEU 59 HD23 LEU 59 -5.160 4.610 4.726 457 H PHE 60 HN PHE 60 -7.550 3.130 0.523 458 HA PHE 60 HA PHE 60 -9.852 4.965 -0.023 459 1HB PHE 60 HB2 PHE 60 -9.205 2.188 -1.086 460 2HB PHE 60 HB1 PHE 60 -10.668 3.103 -1.471 461 HD1 PHE 60 HD1 PHE 60 -7.616 2.254 -2.813 462 HD2 PHE 60 HD2 PHE 60 -9.975 5.746 -1.998 463 HE1 PHE 60 HE1 PHE 60 -6.390 3.493 -4.574 464 HE2 PHE 60 HE2 PHE 60 -8.754 6.985 -3.767 465 HZ PHE 60 HZ PHE 60 -6.960 5.859 -5.054 466 H GLN 61 HN GLN 61 -11.844 4.298 1.061 467 HA GLN 61 HA GLN 61 -11.332 2.765 3.532 468 1HB GLN 61 HB2 GLN 61 -12.512 5.026 3.279 469 2HB GLN 61 HB1 GLN 61 -13.888 4.108 2.661 470 1HG GLN 61 HG2 GLN 61 -14.281 3.053 4.691 471 2HG GLN 61 HG1 GLN 61 -12.610 3.226 5.224 472 1HE2 GLN 61 HE21 GLN 61 -14.512 5.906 3.860 473 2HE2 GLN 61 HE22 GLN 61 -14.583 6.807 5.294 474 H VAL 62 HN VAL 62 -12.563 1.015 4.251 475 HA VAL 62 HA VAL 62 -13.142 -1.126 2.605 476 HB VAL 62 HB VAL 62 -13.084 -1.179 5.059 477 1HG1 VAL 62 HG11 VAL 62 -15.732 -0.333 5.701 478 2HG1 VAL 62 HG12 VAL 62 -14.979 0.956 4.759 479 3HG1 VAL 62 HG13 VAL 62 -14.209 0.379 6.236 480 1HG2 VAL 62 HG21 VAL 62 -14.657 -2.723 3.519 481 2HG2 VAL 62 HG22 VAL 62 -15.905 -1.981 4.515 482 3HG2 VAL 62 HG23 VAL 62 -14.603 -2.901 5.272 483 H ILE 63 HN ILE 63 -15.001 -1.883 1.510 484 HA ILE 63 HA ILE 63 -17.193 0.129 1.134 485 HB ILE 63 HB ILE 63 -16.238 -1.949 -0.856 486 1HG1 ILE 63 HG12 ILE 63 -15.116 0.273 -1.827 487 2HG1 ILE 63 HG11 ILE 63 -15.065 0.705 -0.117 488 1HG2 ILE 63 HG21 ILE 63 -17.247 0.651 -1.775 489 2HG2 ILE 63 HG22 ILE 63 -18.429 -0.261 -0.833 490 3HG2 ILE 63 HG23 ILE 63 -17.711 -0.974 -2.277 491 1HD1 ILE 63 HD11 ILE 63 -13.629 -1.044 0.427 492 2HD1 ILE 63 HD12 ILE 63 -13.068 -0.651 -1.200 493 3HD1 ILE 63 HD13 ILE 63 -14.144 -2.027 -0.943 494 H ALA 64 HN ALA 64 -18.563 -0.836 2.701 495 HA ALA 64 HA ALA 64 -19.403 -3.651 2.100 496 1HB ALA 64 HB1 ALA 64 -18.256 -2.461 4.402 497 2HB ALA 64 HB2 ALA 64 -18.897 -4.100 4.247 498 3HB ALA 64 HB3 ALA 64 -19.943 -2.792 4.798 499 H GLY 65 HN GLY 65 -21.708 -4.039 2.984 500 1HA GLY 65 HA2 GLY 65 -23.536 -2.262 1.731 501 2HA GLY 65 HA1 GLY 65 -23.990 -3.498 2.902 502 H GLY 66 HN GLY 66 -22.288 -2.362 5.028 503 1HA GLY 66 HA2 GLY 66 -24.188 -0.312 5.942 504 2HA GLY 66 HA1 GLY 66 -22.895 -1.025 6.906 Start of MODEL 21 1 1H MET 1 HT1 MET 1 -14.824 1.225 -3.062 2 2H MET 1 HT2 MET 1 -14.127 -0.206 -2.464 3 3H MET 1 HT3 MET 1 -13.308 0.718 -3.630 4 HA MET 1 HA MET 1 -13.985 1.841 -0.974 5 1HB MET 1 HB2 MET 1 -12.203 0.756 -0.017 6 2HB MET 1 HB1 MET 1 -12.545 -0.431 -1.269 7 1HG MET 1 HG2 MET 1 -10.893 0.741 -2.743 8 2HG MET 1 HG1 MET 1 -10.479 1.778 -1.395 9 1HE MET 1 HE1 MET 1 -9.030 -0.598 1.214 10 2HE MET 1 HE2 MET 1 -10.586 0.207 1.028 11 3HE MET 1 HE3 MET 1 -9.102 1.084 0.669 12 H GLN 2 HN GLN 2 -11.684 3.106 -0.583 13 HA GLN 2 HA GLN 2 -10.794 4.492 -3.017 14 1HB GLN 2 HB2 GLN 2 -12.714 5.781 -2.423 15 2HB GLN 2 HB1 GLN 2 -12.314 5.685 -0.708 16 1HG GLN 2 HG2 GLN 2 -10.321 7.056 -1.062 17 2HG GLN 2 HG1 GLN 2 -10.655 7.124 -2.795 18 1HE2 GLN 2 HE21 GLN 2 -10.913 9.506 -2.667 19 2HE2 GLN 2 HE22 GLN 2 -12.315 10.183 -1.992 20 H ILE 3 HN ILE 3 -8.767 5.451 -2.685 21 HA ILE 3 HA ILE 3 -7.635 5.179 0.029 22 HB ILE 3 HB ILE 3 -6.142 3.579 -0.681 23 1HG1 ILE 3 HG12 ILE 3 -6.331 5.017 -3.244 24 2HG1 ILE 3 HG11 ILE 3 -4.921 4.320 -2.465 25 1HG2 ILE 3 HG21 ILE 3 -7.364 1.896 -1.972 26 2HG2 ILE 3 HG22 ILE 3 -8.427 3.137 -2.629 27 3HG2 ILE 3 HG23 ILE 3 -8.502 2.730 -0.914 28 1HD1 ILE 3 HD11 ILE 3 -5.610 2.063 -3.203 29 2HD1 ILE 3 HD12 ILE 3 -5.474 3.140 -4.595 30 3HD1 ILE 3 HD13 ILE 3 -7.060 2.740 -3.943 31 H LEU 4 HN LEU 4 -5.285 5.936 -0.066 32 HA LEU 4 HA LEU 4 -5.029 8.161 -2.023 33 1HB LEU 4 HB2 LEU 4 -5.592 8.934 0.280 34 2HB LEU 4 HB1 LEU 4 -4.176 8.079 0.888 35 HG LEU 4 HG LEU 4 -3.865 10.610 0.364 36 1HD1 LEU 4 HD11 LEU 4 -2.189 8.491 0.447 37 2HD1 LEU 4 HD12 LEU 4 -1.655 10.145 0.150 38 3HD1 LEU 4 HD13 LEU 4 -1.919 9.039 -1.205 39 1HD2 LEU 4 HD21 LEU 4 -3.490 9.609 -2.434 40 2HD2 LEU 4 HD22 LEU 4 -3.705 11.264 -1.866 41 3HD2 LEU 4 HD23 LEU 4 -5.079 10.164 -1.919 42 H PHE 5 HN PHE 5 -3.494 7.336 -3.387 43 HA PHE 5 HA PHE 5 -1.256 5.782 -2.201 44 1HB PHE 5 HB2 PHE 5 -2.360 4.629 -3.947 45 2HB PHE 5 HB1 PHE 5 -2.537 6.084 -4.921 46 HD1 PHE 5 HD1 PHE 5 -0.310 3.345 -3.940 47 HD2 PHE 5 HD2 PHE 5 -0.617 6.996 -6.184 48 HE1 PHE 5 HE1 PHE 5 1.770 2.774 -5.154 49 HE2 PHE 5 HE2 PHE 5 1.471 6.426 -7.396 50 HZ PHE 5 HZ PHE 5 2.664 4.309 -6.879 51 H ASN 6 HN ASN 6 0.216 7.378 -1.505 52 HA ASN 6 HA ASN 6 1.787 9.096 -1.704 53 1HB ASN 6 HB2 ASN 6 2.349 7.509 -3.663 54 2HB ASN 6 HB1 ASN 6 1.512 8.681 -4.682 55 1HD2 ASN 6 HD21 ASN 6 2.709 10.678 -2.402 56 2HD2 ASN 6 HD22 ASN 6 4.245 11.006 -3.044 57 H ASP 7 HN ASP 7 -0.440 10.069 -1.142 58 HA ASP 7 HA ASP 7 -1.843 11.944 -1.210 59 1HB ASP 7 HB2 ASP 7 -0.037 13.241 -3.174 60 2HB ASP 7 HB1 ASP 7 -0.702 13.865 -1.667 61 H GLN 8 HN GLN 8 -1.885 9.779 -3.405 62 HA GLN 8 HA GLN 8 -3.394 11.370 -5.474 63 1HB GLN 8 HB2 GLN 8 -2.140 8.603 -5.611 64 2HB GLN 8 HB1 GLN 8 -2.943 9.428 -6.940 65 1HG GLN 8 HG2 GLN 8 -1.194 11.340 -6.342 66 2HG GLN 8 HG1 GLN 8 -0.275 9.967 -5.721 67 1HE2 GLN 8 HE21 GLN 8 -1.779 11.293 -8.672 68 2HE2 GLN 8 HE22 GLN 8 -0.910 10.316 -9.754 69 H ALA 9 HN ALA 9 -5.627 11.070 -5.321 70 HA ALA 9 HA ALA 9 -6.650 9.097 -3.442 71 1HB ALA 9 HB1 ALA 9 -7.891 11.060 -5.377 72 2HB ALA 9 HB2 ALA 9 -7.712 11.234 -3.631 73 3HB ALA 9 HB3 ALA 9 -8.845 10.053 -4.288 74 H MET 10 HN MET 10 -7.866 7.265 -3.920 75 HA MET 10 HA MET 10 -7.974 6.337 -6.788 76 1HB MET 10 HB2 MET 10 -6.076 5.584 -4.983 77 2HB MET 10 HB1 MET 10 -7.339 4.398 -4.683 78 1HG MET 10 HG2 MET 10 -6.196 3.315 -6.336 79 2HG MET 10 HG1 MET 10 -7.344 4.228 -7.312 80 1HE MET 10 HE1 MET 10 -4.094 4.665 -5.356 81 2HE MET 10 HE2 MET 10 -2.902 5.075 -6.587 82 3HE MET 10 HE3 MET 10 -3.652 3.482 -6.595 83 H GLN 11 HN GLN 11 -9.049 4.050 -6.740 84 HA GLN 11 HA GLN 11 -11.029 3.639 -4.620 85 1HB GLN 11 HB2 GLN 11 -12.225 3.450 -7.285 86 2HB GLN 11 HB1 GLN 11 -12.906 4.099 -5.805 87 1HG GLN 11 HG2 GLN 11 -11.295 6.102 -6.187 88 2HG GLN 11 HG1 GLN 11 -11.178 5.503 -7.839 89 1HE2 GLN 11 HE21 GLN 11 -12.393 7.206 -8.847 90 2HE2 GLN 11 HE22 GLN 11 -14.035 7.483 -8.518 91 H CYS 12 HN CYS 12 -10.855 1.608 -4.211 92 HA CYS 12 HA CYS 12 -10.727 -0.470 -6.317 93 1HB CYS 12 HB2 CYS 12 -8.598 -1.355 -5.276 94 2HB CYS 12 HB1 CYS 12 -8.431 0.180 -6.126 95 HG CYS 12 HG CYS 12 -7.317 0.550 -3.833 96 H ALA 13 HN ALA 13 -9.873 -2.575 -4.746 97 HA ALA 13 HA ALA 13 -12.275 -3.329 -3.444 98 1HB ALA 13 HB1 ALA 13 -11.216 -5.410 -3.300 99 2HB ALA 13 HB2 ALA 13 -9.634 -4.675 -3.047 100 3HB ALA 13 HB3 ALA 13 -10.374 -4.644 -4.647 101 H ALA 14 HN ALA 14 -12.906 -2.381 -1.584 102 HA ALA 14 HA ALA 14 -11.121 -1.586 0.550 103 1HB ALA 14 HB1 ALA 14 -13.830 -1.360 -0.186 104 2HB ALA 14 HB2 ALA 14 -13.045 -0.607 1.202 105 3HB ALA 14 HB3 ALA 14 -13.824 -2.182 1.374 106 H GLY 15 HN GLY 15 -10.634 -2.726 2.441 107 1HA GLY 15 HA2 GLY 15 -10.617 -4.536 3.962 108 2HA GLY 15 HA1 GLY 15 -11.783 -5.353 2.925 109 H GLN 16 HN GLN 16 -9.542 -4.256 0.842 110 HA GLN 16 HA GLN 16 -8.218 -6.883 0.666 111 1HB GLN 16 HB2 GLN 16 -8.149 -6.354 -1.543 112 2HB GLN 16 HB1 GLN 16 -9.304 -5.107 -1.096 113 1HG GLN 16 HG2 GLN 16 -7.574 -3.444 -0.945 114 2HG GLN 16 HG1 GLN 16 -6.307 -4.663 -1.086 115 1HE2 GLN 16 HE21 GLN 16 -7.862 -2.346 -2.878 116 2HE2 GLN 16 HE22 GLN 16 -7.684 -3.021 -4.425 117 H THR 17 HN THR 17 -6.146 -7.145 1.583 118 HA THR 17 HA THR 17 -4.802 -5.190 3.059 119 HB THR 17 HB THR 17 -3.013 -6.672 3.148 120 HG1 THR 17 HG1 THR 17 -2.623 -8.115 1.324 121 1HG2 THR 17 HG21 THR 17 -4.681 -8.797 2.007 122 2HG2 THR 17 HG22 THR 17 -5.490 -7.808 3.222 123 3HG2 THR 17 HG23 THR 17 -3.992 -8.653 3.623 124 H VAL 18 HN VAL 18 -2.259 -5.125 2.231 125 HA VAL 18 HA VAL 18 -2.087 -2.957 0.275 126 HB VAL 18 HB VAL 18 -0.131 -4.764 1.617 127 1HG1 VAL 18 HG11 VAL 18 1.209 -3.706 0.150 128 2HG1 VAL 18 HG12 VAL 18 1.174 -2.460 1.397 129 3HG1 VAL 18 HG13 VAL 18 0.116 -2.332 -0.012 130 1HG2 VAL 18 HG21 VAL 18 -1.742 -3.621 3.135 131 2HG2 VAL 18 HG22 VAL 18 -1.130 -2.084 2.523 132 3HG2 VAL 18 HG23 VAL 18 -0.062 -3.173 3.409 133 H HIS 19 HN HIS 19 -0.718 -6.234 0.652 134 HA HIS 19 HA HIS 19 0.372 -6.613 -1.919 135 1HB HIS 19 HB2 HIS 19 0.416 -8.117 0.142 136 2HB HIS 19 HB1 HIS 19 -1.261 -8.529 -0.199 137 HD1 HIS 19 HD1 HIS 19 0.023 -11.010 -0.387 138 HD2 HIS 19 HD2 HIS 19 0.571 -8.317 -3.518 139 HE1 HIS 19 HE1 HIS 19 0.806 -12.372 -2.369 140 H GLU 20 HN GLU 20 -2.812 -6.450 -0.595 141 HA GLU 20 HA GLU 20 -4.168 -7.363 -3.073 142 1HB GLU 20 HB2 GLU 20 -4.990 -6.349 -0.358 143 2HB GLU 20 HB1 GLU 20 -6.177 -6.643 -1.628 144 1HG GLU 20 HG2 GLU 20 -4.165 -8.721 -0.737 145 2HG GLU 20 HG1 GLU 20 -5.788 -8.604 -0.057 146 H LEU 21 HN LEU 21 -3.610 -4.322 -1.279 147 HA LEU 21 HA LEU 21 -5.124 -2.659 -3.114 148 1HB LEU 21 HB2 LEU 21 -4.266 -2.314 -0.666 149 2HB LEU 21 HB1 LEU 21 -2.771 -1.795 -1.432 150 HG LEU 21 HG LEU 21 -4.455 0.047 -0.866 151 1HD1 LEU 21 HD11 LEU 21 -2.563 0.231 -2.514 152 2HD1 LEU 21 HD12 LEU 21 -3.935 1.286 -2.861 153 3HD1 LEU 21 HD13 LEU 21 -3.711 -0.199 -3.781 154 1HD2 LEU 21 HD21 LEU 21 -6.382 -1.414 -1.816 155 2HD2 LEU 21 HD22 LEU 21 -5.835 -0.839 -3.392 156 3HD2 LEU 21 HD23 LEU 21 -6.381 0.312 -2.172 157 H LEU 22 HN LEU 22 -1.612 -2.989 -2.599 158 HA LEU 22 HA LEU 22 -0.579 -1.581 -4.774 159 1HB LEU 22 HB2 LEU 22 0.178 -4.164 -3.383 160 2HB LEU 22 HB1 LEU 22 1.241 -3.394 -4.562 161 HG LEU 22 HG LEU 22 0.225 -2.188 -1.983 162 1HD1 LEU 22 HD11 LEU 22 2.053 -3.718 -1.631 163 2HD1 LEU 22 HD12 LEU 22 2.711 -2.084 -1.545 164 3HD1 LEU 22 HD13 LEU 22 2.942 -3.054 -3.001 165 1HD2 LEU 22 HD21 LEU 22 0.433 -0.228 -3.081 166 2HD2 LEU 22 HD22 LEU 22 1.172 -1.011 -4.474 167 3HD2 LEU 22 HD23 LEU 22 2.168 -0.543 -3.099 168 H GLU 23 HN GLU 23 -1.309 -5.043 -4.633 169 HA GLU 23 HA GLU 23 -0.838 -5.737 -7.330 170 1HB GLU 23 HB2 GLU 23 -1.306 -7.265 -5.450 171 2HB GLU 23 HB1 GLU 23 -2.982 -6.711 -5.425 172 1HG GLU 23 HG2 GLU 23 -1.887 -7.708 -8.016 173 2HG GLU 23 HG1 GLU 23 -2.263 -8.902 -6.774 174 H GLN 24 HN GLN 24 -3.838 -4.460 -5.840 175 HA GLN 24 HA GLN 24 -5.422 -4.549 -8.235 176 1HB GLN 24 HB2 GLN 24 -6.191 -4.282 -5.833 177 2HB GLN 24 HB1 GLN 24 -5.607 -2.616 -5.902 178 1HG GLN 24 HG2 GLN 24 -7.709 -2.155 -6.654 179 2HG GLN 24 HG1 GLN 24 -7.082 -2.740 -8.193 180 1HE2 GLN 24 HE21 GLN 24 -9.305 -3.494 -8.717 181 2HE2 GLN 24 HE22 GLN 24 -9.891 -4.933 -8.037 182 H LEU 25 HN LEU 25 -3.375 -2.018 -6.763 183 HA LEU 25 HA LEU 25 -3.889 -0.001 -8.759 184 1HB LEU 25 HB2 LEU 25 -1.560 -0.529 -6.882 185 2HB LEU 25 HB1 LEU 25 -1.888 1.007 -7.684 186 HG LEU 25 HG LEU 25 -3.588 -0.385 -5.610 187 1HD1 LEU 25 HD11 LEU 25 -3.325 2.083 -4.687 188 2HD1 LEU 25 HD12 LEU 25 -1.890 2.074 -5.713 189 3HD1 LEU 25 HD13 LEU 25 -2.056 0.887 -4.422 190 1HD2 LEU 25 HD21 LEU 25 -5.056 1.699 -5.929 191 2HD2 LEU 25 HD22 LEU 25 -5.169 0.448 -7.166 192 3HD2 LEU 25 HD23 LEU 25 -4.223 1.906 -7.469 193 H ASP 26 HN ASP 26 -1.834 -2.780 -8.456 194 HA ASP 26 HA ASP 26 -0.930 -3.988 -10.365 195 1HB ASP 26 HB2 ASP 26 -1.845 -2.140 -11.843 196 2HB ASP 26 HB1 ASP 26 -0.373 -1.245 -11.488 197 H GLN 27 HN GLN 27 0.140 -2.863 -7.827 198 HA GLN 27 HA GLN 27 3.020 -2.590 -8.643 199 1HB GLN 27 HB2 GLN 27 1.764 -1.611 -6.079 200 2HB GLN 27 HB1 GLN 27 3.260 -1.069 -6.833 201 1HG GLN 27 HG2 GLN 27 1.072 -0.709 -8.686 202 2HG GLN 27 HG1 GLN 27 0.674 0.055 -7.148 203 1HE2 GLN 27 HE21 GLN 27 3.180 0.919 -6.254 204 2HE2 GLN 27 HE22 GLN 27 3.826 2.043 -7.350 205 H ARG 28 HN ARG 28 4.515 -3.922 -7.547 206 HA ARG 28 HA ARG 28 3.321 -5.982 -5.737 207 1HB ARG 28 HB2 ARG 28 5.697 -6.004 -7.629 208 2HB ARG 28 HB1 ARG 28 5.265 -7.349 -6.575 209 1HG ARG 28 HG2 ARG 28 4.244 -7.871 -8.657 210 2HG ARG 28 HG1 ARG 28 2.932 -7.233 -7.662 211 1HD ARG 28 HD2 ARG 28 2.840 -5.215 -8.848 212 2HD ARG 28 HD1 ARG 28 4.517 -5.354 -9.409 213 HE ARG 28 HE ARG 28 2.370 -7.210 -10.362 214 1HH1 ARG 28 HH11 ARG 28 4.166 -4.512 -11.205 215 2HH1 ARG 28 HH12 ARG 28 4.750 -5.144 -12.708 216 1HH2 ARG 28 HH21 ARG 28 3.499 -8.331 -12.150 217 2HH2 ARG 28 HH22 ARG 28 4.374 -7.310 -13.243 218 H GLN 29 HN GLN 29 6.689 -6.139 -5.762 219 HA GLN 29 HA GLN 29 7.017 -4.170 -3.560 220 1HB GLN 29 HB2 GLN 29 7.638 -7.126 -3.291 221 2HB GLN 29 HB1 GLN 29 7.816 -5.898 -2.039 222 1HG GLN 29 HG2 GLN 29 5.395 -5.475 -2.088 223 2HG GLN 29 HG1 GLN 29 5.207 -6.691 -3.353 224 1HE2 GLN 29 HE21 GLN 29 4.672 -8.746 -2.587 225 2HE2 GLN 29 HE22 GLN 29 5.015 -9.323 -1.026 226 H ALA 30 HN ALA 30 8.888 -6.978 -4.773 227 HA ALA 30 HA ALA 30 11.147 -7.058 -5.508 228 1HB ALA 30 HB1 ALA 30 11.426 -5.701 -7.333 229 2HB ALA 30 HB2 ALA 30 10.925 -4.255 -6.454 230 3HB ALA 30 HB3 ALA 30 9.713 -5.379 -7.072 231 H GLY 31 HN GLY 31 10.310 -5.590 -2.886 232 1HA GLY 31 HA2 GLY 31 12.044 -4.999 -1.256 233 2HA GLY 31 HA1 GLY 31 12.933 -4.237 -2.574 234 H ALA 32 HN ALA 32 9.537 -3.715 -2.613 235 HA ALA 32 HA ALA 32 9.943 -0.841 -2.159 236 1HB ALA 32 HB1 ALA 32 7.236 -2.055 -2.427 237 2HB ALA 32 HB2 ALA 32 8.345 -2.293 -3.773 238 3HB ALA 32 HB3 ALA 32 7.924 -0.661 -3.258 239 H ALA 33 HN ALA 33 8.417 0.352 -0.718 240 HA ALA 33 HA ALA 33 7.331 -1.153 1.597 241 1HB ALA 33 HB1 ALA 33 8.896 -0.457 3.113 242 2HB ALA 33 HB2 ALA 33 8.991 1.149 2.396 243 3HB ALA 33 HB3 ALA 33 9.917 -0.182 1.702 244 H LEU 34 HN LEU 34 5.801 0.247 2.797 245 HA LEU 34 HA LEU 34 5.270 2.859 1.491 246 1HB LEU 34 HB2 LEU 34 3.771 1.756 0.178 247 2HB LEU 34 HB1 LEU 34 3.830 0.319 1.185 248 HG LEU 34 HG LEU 34 2.241 2.805 1.910 249 1HD1 LEU 34 HD11 LEU 34 1.557 1.468 -0.230 250 2HD1 LEU 34 HD12 LEU 34 0.321 1.836 0.972 251 3HD1 LEU 34 HD13 LEU 34 1.043 0.229 0.917 252 1HD2 LEU 34 HD21 LEU 34 2.176 1.726 3.908 253 2HD2 LEU 34 HD22 LEU 34 2.825 0.238 3.217 254 3HD2 LEU 34 HD23 LEU 34 1.098 0.582 3.108 255 H ALA 35 HN ALA 35 3.593 4.125 2.708 256 HA ALA 35 HA ALA 35 3.366 3.243 5.565 257 1HB ALA 35 HB1 ALA 35 5.024 5.235 4.613 258 2HB ALA 35 HB2 ALA 35 4.410 5.147 6.262 259 3HB ALA 35 HB3 ALA 35 3.580 6.142 5.067 260 H ILE 36 HN ILE 36 1.202 2.942 5.862 261 HA ILE 36 HA ILE 36 -0.684 4.642 4.299 262 HB ILE 36 HB ILE 36 -1.106 2.200 6.062 263 1HG1 ILE 36 HG12 ILE 36 -1.438 2.459 3.069 264 2HG1 ILE 36 HG11 ILE 36 0.099 2.006 3.792 265 1HG2 ILE 36 HG21 ILE 36 -3.314 2.698 6.020 266 2HG2 ILE 36 HG22 ILE 36 -3.279 2.707 4.258 267 3HG2 ILE 36 HG23 ILE 36 -2.966 4.193 5.155 268 1HD1 ILE 36 HD11 ILE 36 -0.874 0.047 4.806 269 2HD1 ILE 36 HD12 ILE 36 -1.357 0.056 3.110 270 3HD1 ILE 36 HD13 ILE 36 -2.500 0.559 4.354 271 H ASN 37 HN ASN 37 -1.697 6.338 5.240 272 HA ASN 37 HA ASN 37 -2.472 7.819 6.891 273 1HB ASN 37 HB2 ASN 37 -2.494 5.237 8.483 274 2HB ASN 37 HB1 ASN 37 -3.370 6.708 8.902 275 1HD2 ASN 37 HD21 ASN 37 -3.813 3.747 7.452 276 2HD2 ASN 37 HD22 ASN 37 -5.116 4.127 6.433 277 H GLN 38 HN GLN 38 0.437 7.154 6.602 278 HA GLN 38 HA GLN 38 2.366 8.122 7.589 279 1HB GLN 38 HB2 GLN 38 2.091 9.534 9.378 280 2HB GLN 38 HB1 GLN 38 0.387 9.332 8.982 281 1HG GLN 38 HG2 GLN 38 0.263 8.781 11.208 282 2HG GLN 38 HG1 GLN 38 0.707 7.191 10.592 283 1HE2 GLN 38 HE21 GLN 38 1.617 7.046 12.930 284 2HE2 GLN 38 HE22 GLN 38 3.207 7.592 13.168 285 H GLN 39 HN GLN 39 0.960 5.241 8.140 286 HA GLN 39 HA GLN 39 2.969 4.433 10.201 287 1HB GLN 39 HB2 GLN 39 1.531 2.632 10.701 288 2HB GLN 39 HB1 GLN 39 0.414 3.947 10.344 289 1HG GLN 39 HG2 GLN 39 0.547 3.000 7.885 290 2HG GLN 39 HG1 GLN 39 1.093 1.534 8.694 291 1HE2 GLN 39 HE21 GLN 39 -0.431 0.387 10.052 292 2HE2 GLN 39 HE22 GLN 39 -2.084 0.774 10.074 293 H ILE 40 HN ILE 40 4.868 3.930 9.152 294 HA ILE 40 HA ILE 40 4.897 2.823 6.457 295 HB ILE 40 HB ILE 40 6.928 3.245 8.671 296 1HG1 ILE 40 HG12 ILE 40 7.853 4.719 6.699 297 2HG1 ILE 40 HG11 ILE 40 6.203 4.587 6.087 298 1HG2 ILE 40 HG21 ILE 40 7.596 1.227 7.424 299 2HG2 ILE 40 HG22 ILE 40 8.681 2.568 7.061 300 3HG2 ILE 40 HG23 ILE 40 7.434 2.102 5.901 301 1HD1 ILE 40 HD11 ILE 40 5.292 5.728 7.894 302 2HD1 ILE 40 HD12 ILE 40 6.835 6.558 7.707 303 3HD1 ILE 40 HD13 ILE 40 6.640 5.329 8.958 304 H VAL 41 HN VAL 41 3.916 0.800 6.346 305 HA VAL 41 HA VAL 41 4.459 -1.234 8.423 306 HB VAL 41 HB VAL 41 2.935 -1.334 5.817 307 1HG1 VAL 41 HG11 VAL 41 3.648 -3.517 6.882 308 2HG1 VAL 41 HG12 VAL 41 1.903 -3.322 6.714 309 3HG1 VAL 41 HG13 VAL 41 2.670 -3.078 8.283 310 1HG2 VAL 41 HG21 VAL 41 1.573 -1.144 8.462 311 2HG2 VAL 41 HG22 VAL 41 1.112 -0.442 6.910 312 3HG2 VAL 41 HG23 VAL 41 2.372 0.316 7.883 313 HA PRO 42 HA PRO 42 7.625 -3.048 6.064 314 1HB PRO 42 HB2 PRO 42 7.481 -5.585 7.029 315 2HB PRO 42 HB1 PRO 42 8.234 -4.226 7.871 316 1HG PRO 42 HG2 PRO 42 5.596 -5.499 8.312 317 2HG PRO 42 HG1 PRO 42 6.720 -4.810 9.493 318 1HD PRO 42 HD2 PRO 42 4.471 -3.544 8.585 319 2HD PRO 42 HD1 PRO 42 5.888 -2.701 9.236 320 H ARG 43 HN ARG 43 7.422 -3.545 4.116 321 HA ARG 43 HA ARG 43 5.550 -4.175 2.360 322 1HB ARG 43 HB2 ARG 43 7.278 -5.846 1.333 323 2HB ARG 43 HB1 ARG 43 7.727 -4.156 1.526 324 1HG ARG 43 HG2 ARG 43 8.368 -5.498 3.963 325 2HG ARG 43 HG1 ARG 43 8.987 -6.474 2.635 326 1HD ARG 43 HD2 ARG 43 10.474 -4.842 1.938 327 2HD ARG 43 HD1 ARG 43 9.434 -3.517 2.497 328 HE ARG 43 HE ARG 43 10.039 -4.533 4.871 329 1HH1 ARG 43 HH11 ARG 43 11.878 -2.689 2.947 330 2HH1 ARG 43 HH12 ARG 43 13.423 -3.284 3.456 331 1HH2 ARG 43 HH21 ARG 43 12.112 -5.996 5.172 332 2HH2 ARG 43 HH22 ARG 43 13.555 -5.152 4.718 333 H GLU 44 HN GLU 44 7.174 -6.922 3.902 334 HA GLU 44 HA GLU 44 5.646 -9.024 3.061 335 1HB GLU 44 HB2 GLU 44 7.589 -9.192 4.436 336 2HB GLU 44 HB1 GLU 44 6.811 -8.304 5.744 337 1HG GLU 44 HG2 GLU 44 5.105 -10.186 5.855 338 2HG GLU 44 HG1 GLU 44 6.154 -11.090 4.759 339 H GLN 45 HN GLN 45 4.810 -6.924 5.848 340 HA GLN 45 HA GLN 45 2.416 -8.242 6.613 341 1HB GLN 45 HB2 GLN 45 3.347 -5.365 6.714 342 2HB GLN 45 HB1 GLN 45 1.833 -5.883 7.457 343 1HG GLN 45 HG2 GLN 45 4.460 -7.253 8.063 344 2HG GLN 45 HG1 GLN 45 3.900 -5.853 8.978 345 1HE2 GLN 45 HE21 GLN 45 3.825 -7.475 10.845 346 2HE2 GLN 45 HE22 GLN 45 2.437 -8.438 11.006 347 H TRP 46 HN TRP 46 3.005 -5.991 3.952 348 HA TRP 46 HA TRP 46 0.592 -4.999 3.184 349 1HB TRP 46 HB2 TRP 46 2.681 -6.524 1.615 350 2HB TRP 46 HB1 TRP 46 1.386 -5.621 0.838 351 HD1 TRP 46 HD1 TRP 46 2.337 -3.846 3.897 352 HE1 TRP 46 HE1 TRP 46 3.885 -1.863 3.360 353 HE3 TRP 46 HE3 TRP 46 3.618 -5.007 -0.906 354 HZ2 TRP 46 HZ2 TRP 46 5.458 -0.919 1.189 355 HZ3 TRP 46 HZ3 TRP 46 5.157 -3.542 -2.180 356 HH2 TRP 46 HH2 TRP 46 6.079 -1.489 -1.129 357 H ALA 47 HN ALA 47 1.476 -8.385 3.190 358 HA ALA 47 HA ALA 47 -0.829 -9.283 1.655 359 1HB ALA 47 HB1 ALA 47 0.106 -11.489 2.474 360 2HB ALA 47 HB2 ALA 47 1.293 -10.549 3.381 361 3HB ALA 47 HB3 ALA 47 1.252 -10.457 1.621 362 H GLN 48 HN GLN 48 -0.284 -8.497 4.993 363 HA GLN 48 HA GLN 48 -2.877 -9.844 5.706 364 1HB GLN 48 HB2 GLN 48 -0.450 -9.271 7.441 365 2HB GLN 48 HB1 GLN 48 -1.905 -10.122 7.949 366 1HG GLN 48 HG2 GLN 48 -1.263 -11.597 5.781 367 2HG GLN 48 HG1 GLN 48 0.346 -11.064 6.261 368 1HE2 GLN 48 HE21 GLN 48 1.150 -12.954 7.261 369 2HE2 GLN 48 HE22 GLN 48 0.406 -13.710 8.586 370 H HIS 49 HN HIS 49 -1.574 -6.978 4.961 371 HA HIS 49 HA HIS 49 -2.659 -5.402 7.208 372 1HB HIS 49 HB2 HIS 49 -0.422 -5.070 6.128 373 2HB HIS 49 HB1 HIS 49 -1.264 -4.610 4.648 374 HD1 HIS 49 HD1 HIS 49 0.218 -3.100 7.507 375 HD2 HIS 49 HD2 HIS 49 -3.306 -2.388 5.392 376 HE1 HIS 49 HE1 HIS 49 -0.510 -0.743 8.091 377 H ILE 50 HN ILE 50 -4.940 -6.152 6.569 378 HA ILE 50 HA ILE 50 -6.240 -5.601 4.170 379 HB ILE 50 HB ILE 50 -7.197 -5.340 7.036 380 1HG1 ILE 50 HG12 ILE 50 -6.219 -7.542 6.338 381 2HG1 ILE 50 HG11 ILE 50 -7.934 -7.642 6.740 382 1HG2 ILE 50 HG21 ILE 50 -9.140 -6.132 4.997 383 2HG2 ILE 50 HG22 ILE 50 -8.510 -4.507 4.732 384 3HG2 ILE 50 HG23 ILE 50 -9.280 -4.915 6.266 385 1HD1 ILE 50 HD11 ILE 50 -7.501 -6.978 3.931 386 2HD1 ILE 50 HD12 ILE 50 -8.482 -8.261 4.640 387 3HD1 ILE 50 HD13 ILE 50 -6.757 -8.513 4.372 388 H VAL 51 HN VAL 51 -6.693 -3.818 3.136 389 HA VAL 51 HA VAL 51 -6.147 -1.126 4.291 390 HB VAL 51 HB VAL 51 -6.870 -2.128 1.508 391 1HG1 VAL 51 HG11 VAL 51 -7.093 0.157 1.353 392 2HG1 VAL 51 HG12 VAL 51 -5.363 -0.006 1.051 393 3HG1 VAL 51 HG13 VAL 51 -5.943 0.464 2.651 394 1HG2 VAL 51 HG21 VAL 51 -4.763 -3.094 2.748 395 2HG2 VAL 51 HG22 VAL 51 -4.085 -1.494 2.461 396 3HG2 VAL 51 HG23 VAL 51 -4.586 -2.494 1.103 397 H GLN 52 HN GLN 52 -7.834 0.453 4.448 398 HA GLN 52 HA GLN 52 -10.629 -0.619 4.189 399 1HB GLN 52 HB2 GLN 52 -9.297 1.523 5.837 400 2HB GLN 52 HB1 GLN 52 -11.050 1.371 5.743 401 1HG GLN 52 HG2 GLN 52 -9.091 -0.713 6.753 402 2HG GLN 52 HG1 GLN 52 -10.320 0.134 7.694 403 1HE2 GLN 52 HE21 GLN 52 -10.052 -2.836 7.149 404 2HE2 GLN 52 HE22 GLN 52 -11.527 -3.288 6.445 405 H ASP 53 HN ASP 53 -12.263 0.706 3.257 406 HA ASP 53 HA ASP 53 -11.554 2.327 1.034 407 1HB ASP 53 HB2 ASP 53 -13.723 1.484 1.046 408 2HB ASP 53 HB1 ASP 53 -13.980 1.907 2.739 409 H GLY 54 HN GLY 54 -10.433 4.068 1.223 410 1HA GLY 54 HA2 GLY 54 -10.449 6.507 1.840 411 2HA GLY 54 HA1 GLY 54 -10.814 5.966 3.490 412 H ASP 55 HN ASP 55 -8.991 3.618 2.116 413 HA ASP 55 HA ASP 55 -6.802 3.551 3.710 414 1HB ASP 55 HB2 ASP 55 -7.235 1.862 2.106 415 2HB ASP 55 HB1 ASP 55 -7.132 3.002 0.767 416 H GLN 56 HN GLN 56 -4.761 4.418 3.786 417 HA GLN 56 HA GLN 56 -4.133 6.778 2.051 418 1HB GLN 56 HB2 GLN 56 -4.819 7.095 4.473 419 2HB GLN 56 HB1 GLN 56 -3.426 6.143 4.925 420 1HG GLN 56 HG2 GLN 56 -3.489 8.844 3.635 421 2HG GLN 56 HG1 GLN 56 -2.761 8.379 5.161 422 1HE2 GLN 56 HE21 GLN 56 -1.810 9.377 2.226 423 2HE2 GLN 56 HE22 GLN 56 -0.384 8.478 2.033 424 H ILE 57 HN ILE 57 -1.950 6.714 1.174 425 HA ILE 57 HA ILE 57 -0.287 4.432 2.163 426 HB ILE 57 HB ILE 57 -1.159 5.047 -0.639 427 1HG1 ILE 57 HG12 ILE 57 -1.430 2.606 1.122 428 2HG1 ILE 57 HG11 ILE 57 -2.730 3.723 0.689 429 1HG2 ILE 57 HG21 ILE 57 0.304 2.740 -0.775 430 2HG2 ILE 57 HG22 ILE 57 1.227 3.676 0.401 431 3HG2 ILE 57 HG23 ILE 57 0.919 4.336 -1.206 432 1HD1 ILE 57 HD11 ILE 57 -3.074 2.580 -1.213 433 2HD1 ILE 57 HD12 ILE 57 -1.751 1.486 -0.807 434 3HD1 ILE 57 HD13 ILE 57 -1.429 2.959 -1.721 435 H LEU 58 HN LEU 58 1.896 4.661 1.961 436 HA LEU 58 HA LEU 58 2.956 7.181 0.758 437 1HB LEU 58 HB2 LEU 58 2.971 6.668 3.392 438 2HB LEU 58 HB1 LEU 58 4.393 5.729 2.946 439 HG LEU 58 HG LEU 58 4.040 8.595 2.068 440 1HD1 LEU 58 HD11 LEU 58 5.531 9.175 3.984 441 2HD1 LEU 58 HD12 LEU 58 5.360 7.524 4.578 442 3HD1 LEU 58 HD13 LEU 58 3.954 8.586 4.509 443 1HD2 LEU 58 HD21 LEU 58 6.009 6.502 1.697 444 2HD2 LEU 58 HD22 LEU 58 6.732 7.884 2.519 445 3HD2 LEU 58 HD23 LEU 58 5.942 8.102 0.958 446 H LEU 59 HN LEU 59 4.723 6.732 -0.739 447 HA LEU 59 HA LEU 59 5.180 3.795 -1.099 448 1HB LEU 59 HB2 LEU 59 4.202 5.474 -2.871 449 2HB LEU 59 HB1 LEU 59 5.888 5.921 -3.106 450 HG LEU 59 HG LEU 59 4.464 3.435 -3.878 451 1HD1 LEU 59 HD11 LEU 59 7.079 4.514 -4.907 452 2HD1 LEU 59 HD12 LEU 59 5.543 5.261 -5.350 453 3HD1 LEU 59 HD13 LEU 59 5.862 3.577 -5.770 454 1HD2 LEU 59 HD21 LEU 59 5.965 2.522 -2.134 455 2HD2 LEU 59 HD22 LEU 59 7.336 3.334 -2.890 456 3HD2 LEU 59 HD23 LEU 59 6.498 2.039 -3.740 457 H PHE 60 HN PHE 60 7.200 2.944 -0.851 458 HA PHE 60 HA PHE 60 9.491 4.849 -0.525 459 1HB PHE 60 HB2 PHE 60 8.857 2.182 0.789 460 2HB PHE 60 HB1 PHE 60 10.374 3.056 1.011 461 HD1 PHE 60 HD1 PHE 60 7.623 2.353 2.767 462 HD2 PHE 60 HD2 PHE 60 9.596 5.841 1.226 463 HE1 PHE 60 HE1 PHE 60 6.557 3.725 4.518 464 HE2 PHE 60 HE2 PHE 60 8.529 7.224 2.997 465 HZ PHE 60 HZ PHE 60 7.004 6.161 4.638 466 H GLN 61 HN GLN 61 11.380 4.269 -1.691 467 HA GLN 61 HA GLN 61 10.927 2.349 -3.883 468 1HB GLN 61 HB2 GLN 61 13.202 4.244 -3.223 469 2HB GLN 61 HB1 GLN 61 12.994 3.394 -4.755 470 1HG GLN 61 HG2 GLN 61 11.084 5.429 -3.564 471 2HG GLN 61 HG1 GLN 61 12.134 5.677 -4.957 472 1HE2 GLN 61 HE21 GLN 61 11.765 3.849 -6.752 473 2HE2 GLN 61 HE22 GLN 61 10.137 3.481 -7.074 474 H VAL 62 HN VAL 62 12.538 0.768 -4.453 475 HA VAL 62 HA VAL 62 13.191 -1.164 -2.610 476 HB VAL 62 HB VAL 62 13.429 -1.558 -4.944 477 1HG1 VAL 62 HG11 VAL 62 13.876 0.444 -6.008 478 2HG1 VAL 62 HG12 VAL 62 15.497 -0.251 -6.040 479 3HG1 VAL 62 HG13 VAL 62 15.071 0.933 -4.805 480 1HG2 VAL 62 HG21 VAL 62 16.331 -1.408 -4.215 481 2HG2 VAL 62 HG22 VAL 62 15.444 -2.714 -4.998 482 3HG2 VAL 62 HG23 VAL 62 15.278 -2.451 -3.260 483 H ILE 63 HN ILE 63 14.965 -1.670 -1.304 484 HA ILE 63 HA ILE 63 16.971 0.511 -0.855 485 HB ILE 63 HB ILE 63 16.986 -0.629 1.506 486 1HG1 ILE 63 HG12 ILE 63 15.407 -2.469 0.464 487 2HG1 ILE 63 HG11 ILE 63 15.161 -1.939 2.124 488 1HG2 ILE 63 HG21 ILE 63 14.747 1.114 0.466 489 2HG2 ILE 63 HG22 ILE 63 16.241 1.629 1.249 490 3HG2 ILE 63 HG23 ILE 63 14.999 0.791 2.181 491 1HD1 ILE 63 HD11 ILE 63 13.099 -2.066 0.515 492 2HD1 ILE 63 HD12 ILE 63 13.717 -0.539 -0.115 493 3HD1 ILE 63 HD13 ILE 63 13.272 -0.672 1.582 494 H ALA 64 HN ALA 64 18.559 -0.451 -2.200 495 HA ALA 64 HA ALA 64 19.406 -3.209 -1.386 496 1HB ALA 64 HB1 ALA 64 20.146 -3.347 -3.802 497 2HB ALA 64 HB2 ALA 64 19.355 -1.793 -4.060 498 3HB ALA 64 HB3 ALA 64 18.402 -3.195 -3.574 499 H GLY 65 HN GLY 65 21.403 -3.254 -0.494 500 1HA GLY 65 HA2 GLY 65 23.762 -2.834 -0.463 501 2HA GLY 65 HA1 GLY 65 23.501 -1.431 -1.505 502 H GLY 66 HN GLY 66 23.438 0.543 -0.539 503 1HA GLY 66 HA2 GLY 66 24.102 0.933 2.191 504 2HA GLY 66 HA1 GLY 66 23.407 2.173 1.147 Start of MODEL 22 1 1H MET 1 HT1 MET 1 14.500 2.799 3.150 2 2H MET 1 HT2 MET 1 14.874 4.172 2.219 3 3H MET 1 HT3 MET 1 15.273 2.621 1.650 4 HA MET 1 HA MET 1 13.343 3.182 0.442 5 1HB MET 1 HB2 MET 1 13.519 1.044 2.079 6 2HB MET 1 HB1 MET 1 12.063 1.798 2.725 7 1HG MET 1 HG2 MET 1 12.431 1.269 -0.218 8 2HG MET 1 HG1 MET 1 11.708 0.110 0.879 9 1HE MET 1 HE1 MET 1 9.008 0.031 0.108 10 2HE MET 1 HE2 MET 1 10.267 0.286 -1.096 11 3HE MET 1 HE3 MET 1 8.802 1.266 -1.142 12 H GLN 2 HN GLN 2 11.383 4.268 0.326 13 HA GLN 2 HA GLN 2 10.148 5.339 2.766 14 1HB GLN 2 HB2 GLN 2 11.777 7.030 2.307 15 2HB GLN 2 HB1 GLN 2 11.411 6.990 0.584 16 1HG GLN 2 HG2 GLN 2 9.515 8.253 0.816 17 2HG GLN 2 HG1 GLN 2 9.139 7.576 2.397 18 1HE2 GLN 2 HE21 GLN 2 9.126 9.298 3.842 19 2HE2 GLN 2 HE22 GLN 2 10.326 10.495 3.936 20 H ILE 3 HN ILE 3 8.027 6.093 2.327 21 HA ILE 3 HA ILE 3 7.089 5.543 -0.401 22 HB ILE 3 HB ILE 3 5.744 3.815 0.327 23 1HG1 ILE 3 HG12 ILE 3 5.748 5.335 2.869 24 2HG1 ILE 3 HG11 ILE 3 4.406 4.556 2.043 25 1HG2 ILE 3 HG21 ILE 3 8.091 3.120 0.595 26 2HG2 ILE 3 HG22 ILE 3 7.124 2.369 1.862 27 3HG2 ILE 3 HG23 ILE 3 8.121 3.775 2.231 28 1HD1 ILE 3 HD11 ILE 3 4.999 3.451 4.219 29 2HD1 ILE 3 HD12 ILE 3 6.580 3.061 3.551 30 3HD1 ILE 3 HD13 ILE 3 5.125 2.367 2.836 31 H LEU 4 HN LEU 4 4.648 6.027 -0.428 32 HA LEU 4 HA LEU 4 4.097 8.252 1.473 33 1HB LEU 4 HB2 LEU 4 4.605 9.027 -0.861 34 2HB LEU 4 HB1 LEU 4 3.262 8.036 -1.435 35 HG LEU 4 HG LEU 4 2.727 10.536 -0.930 36 1HD1 LEU 4 HD11 LEU 4 1.277 8.220 -0.921 37 2HD1 LEU 4 HD12 LEU 4 0.588 9.835 -0.778 38 3HD1 LEU 4 HD13 LEU 4 0.916 8.878 0.673 39 1HD2 LEU 4 HD21 LEU 4 3.991 10.176 1.371 40 2HD2 LEU 4 HD22 LEU 4 2.426 9.559 1.882 41 3HD2 LEU 4 HD23 LEU 4 2.571 11.214 1.287 42 H PHE 5 HN PHE 5 2.607 7.371 2.797 43 HA PHE 5 HA PHE 5 0.551 5.595 1.570 44 1HB PHE 5 HB2 PHE 5 1.795 4.582 3.361 45 2HB PHE 5 HB1 PHE 5 1.701 6.037 4.347 46 HD1 PHE 5 HD1 PHE 5 0.030 2.970 3.334 47 HD2 PHE 5 HD2 PHE 5 -0.463 6.697 5.407 48 HE1 PHE 5 HE1 PHE 5 -2.005 2.087 4.440 49 HE2 PHE 5 HE2 PHE 5 -2.503 5.822 6.507 50 HZ PHE 5 HZ PHE 5 -3.267 3.511 6.031 51 H ASN 6 HN ASN 6 -1.073 7.129 0.904 52 HA ASN 6 HA ASN 6 -2.774 8.720 1.184 53 1HB ASN 6 HB2 ASN 6 -3.036 7.073 3.193 54 2HB ASN 6 HB1 ASN 6 -2.339 8.380 4.150 55 1HD2 ASN 6 HD21 ASN 6 -3.954 9.648 5.105 56 2HD2 ASN 6 HD22 ASN 6 -5.459 9.994 4.401 57 H ASP 7 HN ASP 7 -0.555 9.822 0.565 58 HA ASP 7 HA ASP 7 0.750 11.779 0.625 59 1HB ASP 7 HB2 ASP 7 -1.674 12.496 0.726 60 2HB ASP 7 HB1 ASP 7 -1.431 12.719 2.458 61 H GLN 8 HN GLN 8 0.853 9.662 2.854 62 HA GLN 8 HA GLN 8 2.161 11.378 4.941 63 1HB GLN 8 HB2 GLN 8 1.134 8.529 5.089 64 2HB GLN 8 HB1 GLN 8 1.698 9.500 6.445 65 1HG GLN 8 HG2 GLN 8 -0.171 11.176 5.416 66 2HG GLN 8 HG1 GLN 8 -0.881 9.621 4.984 67 1HE2 GLN 8 HE21 GLN 8 -0.417 11.852 7.555 68 2HE2 GLN 8 HE22 GLN 8 -0.995 10.872 8.815 69 H ALA 9 HN ALA 9 4.400 11.275 4.770 70 HA ALA 9 HA ALA 9 5.618 9.308 3.015 71 1HB ALA 9 HB1 ALA 9 7.234 10.863 3.022 72 2HB ALA 9 HB2 ALA 9 7.428 10.742 4.773 73 3HB ALA 9 HB3 ALA 9 6.201 11.813 4.090 74 H MET 10 HN MET 10 6.928 7.600 3.552 75 HA MET 10 HA MET 10 7.128 6.772 6.449 76 1HB MET 10 HB2 MET 10 5.347 5.766 4.636 77 2HB MET 10 HB1 MET 10 6.738 4.721 4.387 78 1HG MET 10 HG2 MET 10 5.658 3.567 6.050 79 2HG MET 10 HG1 MET 10 6.733 4.581 7.006 80 1HE MET 10 HE1 MET 10 3.381 6.167 5.187 81 2HE MET 10 HE2 MET 10 2.349 5.043 6.064 82 3HE MET 10 HE3 MET 10 3.675 4.429 5.083 83 H GLN 11 HN GLN 11 8.376 4.574 6.411 84 HA GLN 11 HA GLN 11 10.431 4.325 4.343 85 1HB GLN 11 HB2 GLN 11 11.761 3.993 6.835 86 2HB GLN 11 HB1 GLN 11 12.124 5.142 5.558 87 1HG GLN 11 HG2 GLN 11 10.574 6.764 6.514 88 2HG GLN 11 HG1 GLN 11 10.063 5.593 7.733 89 1HE2 GLN 11 HE21 GLN 11 10.931 6.446 9.675 90 2HE2 GLN 11 HE22 GLN 11 12.571 6.830 9.888 91 H CYS 12 HN CYS 12 10.419 2.266 3.904 92 HA CYS 12 HA CYS 12 9.965 0.223 6.056 93 1HB CYS 12 HB2 CYS 12 8.257 -0.812 4.658 94 2HB CYS 12 HB1 CYS 12 7.843 0.885 4.919 95 HG CYS 12 HG CYS 12 9.476 0.420 2.368 96 H ALA 13 HN ALA 13 9.779 -1.961 4.390 97 HA ALA 13 HA ALA 13 12.550 -2.368 3.678 98 1HB ALA 13 HB1 ALA 13 11.453 -4.667 3.057 99 2HB ALA 13 HB2 ALA 13 10.025 -3.978 3.827 100 3HB ALA 13 HB3 ALA 13 11.512 -4.179 4.751 101 H ALA 14 HN ALA 14 13.205 -1.516 1.711 102 HA ALA 14 HA ALA 14 11.501 -1.096 -0.537 103 1HB ALA 14 HB1 ALA 14 13.966 -0.362 0.074 104 2HB ALA 14 HB2 ALA 14 13.456 -0.487 -1.611 105 3HB ALA 14 HB3 ALA 14 14.389 -1.790 -0.871 106 H GLY 15 HN GLY 15 10.878 -2.420 -2.147 107 1HA GLY 15 HA2 GLY 15 10.935 -4.302 -3.600 108 2HA GLY 15 HA1 GLY 15 12.151 -5.019 -2.553 109 H GLN 16 HN GLN 16 9.821 -3.868 -0.544 110 HA GLN 16 HA GLN 16 8.657 -6.568 -0.172 111 1HB GLN 16 HB2 GLN 16 8.487 -5.884 1.993 112 2HB GLN 16 HB1 GLN 16 9.620 -4.646 1.481 113 1HG GLN 16 HG2 GLN 16 7.602 -3.205 0.903 114 2HG GLN 16 HG1 GLN 16 6.616 -4.403 1.745 115 1HE2 GLN 16 HE21 GLN 16 7.417 -4.891 4.088 116 2HE2 GLN 16 HE22 GLN 16 8.013 -3.576 4.979 117 H THR 17 HN THR 17 6.536 -7.030 -0.928 118 HA THR 17 HA THR 17 5.068 -5.281 -2.575 119 HB THR 17 HB THR 17 3.353 -6.865 -2.469 120 HG1 THR 17 HG1 THR 17 3.579 -8.247 -0.316 121 1HG2 THR 17 HG21 THR 17 5.255 -8.763 -1.258 122 2HG2 THR 17 HG22 THR 17 5.859 -7.860 -2.647 123 3HG2 THR 17 HG23 THR 17 4.403 -8.843 -2.799 124 H VAL 18 HN VAL 18 2.592 -5.231 -1.753 125 HA VAL 18 HA VAL 18 2.343 -2.948 0.052 126 HB VAL 18 HB VAL 18 0.450 -4.901 -1.173 127 1HG1 VAL 18 HG11 VAL 18 -0.741 -3.686 0.402 128 2HG1 VAL 18 HG12 VAL 18 -1.082 -2.887 -1.133 129 3HG1 VAL 18 HG13 VAL 18 0.087 -2.186 -0.008 130 1HG2 VAL 18 HG21 VAL 18 1.899 -3.998 -2.868 131 2HG2 VAL 18 HG22 VAL 18 1.641 -2.365 -2.255 132 3HG2 VAL 18 HG23 VAL 18 0.317 -3.242 -3.022 133 H HIS 19 HN HIS 19 1.080 -6.283 -0.115 134 HA HIS 19 HA HIS 19 0.007 -6.498 2.483 135 1HB HIS 19 HB2 HIS 19 0.032 -8.121 0.471 136 2HB HIS 19 HB1 HIS 19 1.655 -8.562 0.984 137 HD1 HIS 19 HD1 HIS 19 -1.014 -10.410 1.070 138 HD2 HIS 19 HD2 HIS 19 0.844 -8.554 4.310 139 HE1 HIS 19 HE1 HIS 19 -1.749 -11.675 3.136 140 H GLU 20 HN GLU 20 3.196 -6.365 1.138 141 HA GLU 20 HA GLU 20 4.585 -7.109 3.669 142 1HB GLU 20 HB2 GLU 20 5.498 -6.082 0.971 143 2HB GLU 20 HB1 GLU 20 6.601 -6.531 2.268 144 1HG GLU 20 HG2 GLU 20 4.524 -8.527 1.481 145 2HG GLU 20 HG1 GLU 20 5.873 -8.272 0.377 146 H LEU 21 HN LEU 21 3.827 -4.188 1.771 147 HA LEU 21 HA LEU 21 5.379 -2.423 3.515 148 1HB LEU 21 HB2 LEU 21 4.680 -2.126 1.071 149 2HB LEU 21 HB1 LEU 21 3.060 -1.789 1.661 150 HG LEU 21 HG LEU 21 4.746 0.183 1.181 151 1HD1 LEU 21 HD11 LEU 21 2.726 -0.195 3.321 152 2HD1 LEU 21 HD12 LEU 21 2.762 0.964 1.993 153 3HD1 LEU 21 HD13 LEU 21 3.738 1.244 3.435 154 1HD2 LEU 21 HD21 LEU 21 6.480 -0.865 2.708 155 2HD2 LEU 21 HD22 LEU 21 5.433 -0.442 4.055 156 3HD2 LEU 21 HD23 LEU 21 6.110 0.827 3.038 157 H LEU 22 HN LEU 22 1.872 -2.796 2.957 158 HA LEU 22 HA LEU 22 0.776 -1.317 5.029 159 1HB LEU 22 HB2 LEU 22 0.169 -3.992 3.761 160 2HB LEU 22 HB1 LEU 22 -0.909 -3.325 4.985 161 HG LEU 22 HG LEU 22 -0.124 -2.040 2.364 162 1HD1 LEU 22 HD11 LEU 22 -2.752 -2.108 2.268 163 2HD1 LEU 22 HD12 LEU 22 -2.569 -3.381 3.476 164 3HD1 LEU 22 HD13 LEU 22 -1.827 -3.559 1.887 165 1HD2 LEU 22 HD21 LEU 22 -1.605 -1.017 4.785 166 2HD2 LEU 22 HD22 LEU 22 -1.863 -0.326 3.183 167 3HD2 LEU 22 HD23 LEU 22 -0.264 -0.259 3.925 168 H GLU 23 HN GLU 23 1.706 -4.727 5.177 169 HA GLU 23 HA GLU 23 1.233 -5.254 7.906 170 1HB GLU 23 HB2 GLU 23 1.937 -6.833 6.101 171 2HB GLU 23 HB1 GLU 23 3.570 -6.175 6.209 172 1HG GLU 23 HG2 GLU 23 4.013 -7.234 8.182 173 2HG GLU 23 HG1 GLU 23 2.360 -7.046 8.770 174 H GLN 24 HN GLN 24 4.282 -4.006 6.433 175 HA GLN 24 HA GLN 24 5.798 -3.781 8.838 176 1HB GLN 24 HB2 GLN 24 6.514 -3.565 6.404 177 2HB GLN 24 HB1 GLN 24 5.828 -1.940 6.427 178 1HG GLN 24 HG2 GLN 24 8.192 -1.748 6.881 179 2HG GLN 24 HG1 GLN 24 7.325 -1.413 8.379 180 1HE2 GLN 24 HE21 GLN 24 9.884 -3.208 7.123 181 2HE2 GLN 24 HE22 GLN 24 9.997 -4.383 8.341 182 H LEU 25 HN LEU 25 3.591 -1.550 7.212 183 HA LEU 25 HA LEU 25 3.900 0.639 9.068 184 1HB LEU 25 HB2 LEU 25 1.957 -0.234 6.928 185 2HB LEU 25 HB1 LEU 25 1.639 1.212 7.890 186 HG LEU 25 HG LEU 25 4.103 1.834 7.292 187 1HD1 LEU 25 HD11 LEU 25 3.424 -0.049 5.041 188 2HD1 LEU 25 HD12 LEU 25 4.662 -0.324 6.268 189 3HD1 LEU 25 HD13 LEU 25 4.835 1.003 5.120 190 1HD2 LEU 25 HD21 LEU 25 3.242 2.681 4.990 191 2HD2 LEU 25 HD22 LEU 25 2.433 3.248 6.453 192 3HD2 LEU 25 HD23 LEU 25 1.707 1.970 5.484 193 H ASP 26 HN ASP 26 2.196 -2.346 9.075 194 HA ASP 26 HA ASP 26 1.138 -3.434 10.896 195 1HB ASP 26 HB2 ASP 26 2.357 -1.570 12.215 196 2HB ASP 26 HB1 ASP 26 0.817 -0.724 12.147 197 H GLN 27 HN GLN 27 -0.067 -2.237 8.492 198 HA GLN 27 HA GLN 27 -2.852 -1.884 9.546 199 1HB GLN 27 HB2 GLN 27 -2.131 -0.637 6.945 200 2HB GLN 27 HB1 GLN 27 -3.128 -0.002 8.247 201 1HG GLN 27 HG2 GLN 27 -0.639 0.004 9.421 202 2HG GLN 27 HG1 GLN 27 -0.244 0.360 7.738 203 1HE2 GLN 27 HE21 GLN 27 0.263 2.496 9.203 204 2HE2 GLN 27 HE22 GLN 27 -0.978 3.651 9.173 205 H ARG 28 HN ARG 28 -3.659 -3.962 9.031 206 HA ARG 28 HA ARG 28 -2.839 -5.494 6.764 207 1HB ARG 28 HB2 ARG 28 -5.200 -5.463 8.629 208 2HB ARG 28 HB1 ARG 28 -5.135 -6.614 7.293 209 1HG ARG 28 HG2 ARG 28 -4.021 -7.883 8.848 210 2HG ARG 28 HG1 ARG 28 -2.642 -6.946 8.272 211 1HD ARG 28 HD2 ARG 28 -2.384 -6.002 10.307 212 2HD ARG 28 HD1 ARG 28 -4.071 -5.454 10.307 213 HE ARG 28 HE ARG 28 -3.958 -8.297 10.759 214 1HH1 ARG 28 HH11 ARG 28 -2.034 -6.359 12.516 215 2HH1 ARG 28 HH12 ARG 28 -2.920 -6.433 14.002 216 1HH2 ARG 28 HH21 ARG 28 -5.700 -7.938 12.584 217 2HH2 ARG 28 HH22 ARG 28 -4.987 -7.339 14.044 218 H GLN 29 HN GLN 29 -5.834 -3.614 7.239 219 HA GLN 29 HA GLN 29 -7.229 -2.522 5.708 220 1HB GLN 29 HB2 GLN 29 -4.673 -2.699 4.075 221 2HB GLN 29 HB1 GLN 29 -6.013 -1.610 3.756 222 1HG GLN 29 HG2 GLN 29 -4.342 -1.634 6.278 223 2HG GLN 29 HG1 GLN 29 -4.235 -0.441 4.982 224 1HE2 GLN 29 HE21 GLN 29 -5.845 -1.165 7.927 225 2HE2 GLN 29 HE22 GLN 29 -7.062 0.012 7.811 226 H ALA 30 HN ALA 30 -7.321 -5.350 5.875 227 HA ALA 30 HA ALA 30 -7.171 -6.715 3.398 228 1HB ALA 30 HB1 ALA 30 -9.346 -7.464 5.223 229 2HB ALA 30 HB2 ALA 30 -7.803 -7.205 6.037 230 3HB ALA 30 HB3 ALA 30 -7.927 -8.390 4.736 231 H GLY 31 HN GLY 31 -9.829 -4.911 4.927 232 1HA GLY 31 HA2 GLY 31 -11.551 -5.305 2.559 233 2HA GLY 31 HA1 GLY 31 -12.012 -4.484 4.052 234 H ALA 32 HN ALA 32 -8.963 -3.623 2.706 235 HA ALA 32 HA ALA 32 -10.150 -1.011 1.831 236 1HB ALA 32 HB1 ALA 32 -7.636 -1.888 3.202 237 2HB ALA 32 HB2 ALA 32 -8.688 -0.525 3.578 238 3HB ALA 32 HB3 ALA 32 -7.571 -0.430 2.214 239 H ALA 33 HN ALA 33 -8.646 0.106 0.207 240 HA ALA 33 HA ALA 33 -7.270 -1.723 -1.699 241 1HB ALA 33 HB1 ALA 33 -9.265 -1.650 -2.837 242 2HB ALA 33 HB2 ALA 33 -8.638 -0.093 -3.381 243 3HB ALA 33 HB3 ALA 33 -9.776 -0.168 -2.035 244 H LEU 34 HN LEU 34 -5.696 -0.444 -3.027 245 HA LEU 34 HA LEU 34 -5.391 2.355 -2.096 246 1HB LEU 34 HB2 LEU 34 -3.685 1.789 -0.752 247 2HB LEU 34 HB1 LEU 34 -4.031 0.107 -1.092 248 HG LEU 34 HG LEU 34 -2.246 1.821 -2.837 249 1HD1 LEU 34 HD11 LEU 34 -1.690 1.026 -0.230 250 2HD1 LEU 34 HD12 LEU 34 -0.498 1.430 -1.462 251 3HD1 LEU 34 HD13 LEU 34 -0.961 -0.246 -1.209 252 1HD2 LEU 34 HD21 LEU 34 -3.456 -0.667 -3.228 253 2HD2 LEU 34 HD22 LEU 34 -1.805 -1.058 -2.745 254 3HD2 LEU 34 HD23 LEU 34 -2.095 -0.017 -4.140 255 H ALA 35 HN ALA 35 -4.000 3.719 -3.454 256 HA ALA 35 HA ALA 35 -3.546 2.511 -6.165 257 1HB ALA 35 HB1 ALA 35 -3.644 5.423 -6.037 258 2HB ALA 35 HB2 ALA 35 -5.105 4.700 -5.374 259 3HB ALA 35 HB3 ALA 35 -4.608 4.326 -7.018 260 H ILE 36 HN ILE 36 -1.391 2.157 -6.457 261 HA ILE 36 HA ILE 36 0.495 4.011 -5.067 262 HB ILE 36 HB ILE 36 0.981 1.321 -6.393 263 1HG1 ILE 36 HG12 ILE 36 0.412 2.092 -3.515 264 2HG1 ILE 36 HG11 ILE 36 -0.533 1.009 -4.536 265 1HG2 ILE 36 HG21 ILE 36 2.762 3.326 -5.548 266 2HG2 ILE 36 HG22 ILE 36 3.164 1.649 -5.914 267 3HG2 ILE 36 HG23 ILE 36 2.781 2.122 -4.258 268 1HD1 ILE 36 HD11 ILE 36 1.876 -0.205 -4.708 269 2HD1 ILE 36 HD12 ILE 36 0.692 -0.597 -3.460 270 3HD1 ILE 36 HD13 ILE 36 2.018 0.508 -3.100 271 H ASN 37 HN ASN 37 1.806 5.358 -6.287 272 HA ASN 37 HA ASN 37 2.654 6.439 -8.208 273 1HB ASN 37 HB2 ASN 37 2.435 3.557 -9.146 274 2HB ASN 37 HB1 ASN 37 3.285 4.816 -10.037 275 1HD2 ASN 37 HD21 ASN 37 4.633 6.192 -8.018 276 2HD2 ASN 37 HD22 ASN 37 5.727 5.150 -7.245 277 H GLN 38 HN GLN 38 -0.244 6.219 -7.739 278 HA GLN 38 HA GLN 38 -2.173 7.044 -8.802 279 1HB GLN 38 HB2 GLN 38 -1.816 8.316 -10.671 280 2HB GLN 38 HB1 GLN 38 -0.125 8.027 -10.280 281 1HG GLN 38 HG2 GLN 38 -0.061 7.319 -12.463 282 2HG GLN 38 HG1 GLN 38 -0.631 5.809 -11.752 283 1HE2 GLN 38 HE21 GLN 38 -2.270 8.922 -12.549 284 2HE2 GLN 38 HE22 GLN 38 -3.527 8.196 -13.432 285 H GLN 39 HN GLN 39 -0.977 4.062 -9.080 286 HA GLN 39 HA GLN 39 -3.059 3.228 -11.063 287 1HB GLN 39 HB2 GLN 39 -1.727 1.257 -11.406 288 2HB GLN 39 HB1 GLN 39 -0.609 2.614 -11.402 289 1HG GLN 39 HG2 GLN 39 -0.731 1.872 -8.728 290 2HG GLN 39 HG1 GLN 39 -0.772 0.336 -9.590 291 1HE2 GLN 39 HE21 GLN 39 1.504 0.200 -8.531 292 2HE2 GLN 39 HE22 GLN 39 2.796 0.859 -9.409 293 H ILE 40 HN ILE 40 -4.938 2.797 -9.942 294 HA ILE 40 HA ILE 40 -4.912 1.978 -7.160 295 HB ILE 40 HB ILE 40 -6.981 2.229 -9.342 296 1HG1 ILE 40 HG12 ILE 40 -7.950 3.597 -7.272 297 2HG1 ILE 40 HG11 ILE 40 -6.264 3.577 -6.766 298 1HG2 ILE 40 HG21 ILE 40 -8.716 1.484 -7.736 299 2HG2 ILE 40 HG22 ILE 40 -7.459 1.068 -6.570 300 3HG2 ILE 40 HG23 ILE 40 -7.587 0.177 -8.088 301 1HD1 ILE 40 HD11 ILE 40 -7.478 5.285 -8.676 302 2HD1 ILE 40 HD12 ILE 40 -6.402 4.209 -9.568 303 3HD1 ILE 40 HD13 ILE 40 -5.770 5.195 -8.247 304 H VAL 41 HN VAL 41 -3.877 0.069 -6.797 305 HA VAL 41 HA VAL 41 -4.291 -2.256 -8.558 306 HB VAL 41 HB VAL 41 -2.859 -1.898 -5.920 307 1HG1 VAL 41 HG11 VAL 41 -2.489 -4.022 -8.047 308 2HG1 VAL 41 HG12 VAL 41 -3.506 -4.239 -6.623 309 3HG1 VAL 41 HG13 VAL 41 -1.770 -3.979 -6.438 310 1HG2 VAL 41 HG21 VAL 41 -1.276 -2.187 -8.372 311 2HG2 VAL 41 HG22 VAL 41 -1.127 -0.994 -7.080 312 3HG2 VAL 41 HG23 VAL 41 -2.285 -0.741 -8.385 313 HA PRO 42 HA PRO 42 -7.355 -3.846 -5.919 314 1HB PRO 42 HB2 PRO 42 -7.325 -6.414 -6.789 315 2HB PRO 42 HB1 PRO 42 -8.092 -5.072 -7.637 316 1HG PRO 42 HG2 PRO 42 -5.622 -6.523 -8.268 317 2HG PRO 42 HG1 PRO 42 -6.694 -5.611 -9.338 318 1HD PRO 42 HD2 PRO 42 -4.227 -4.760 -8.272 319 2HD PRO 42 HD1 PRO 42 -5.395 -3.777 -9.178 320 H ARG 43 HN ARG 43 -7.097 -4.324 -3.943 321 HA ARG 43 HA ARG 43 -5.075 -4.801 -2.291 322 1HB ARG 43 HB2 ARG 43 -6.636 -6.501 -1.070 323 2HB ARG 43 HB1 ARG 43 -7.191 -4.849 -1.312 324 1HG ARG 43 HG2 ARG 43 -7.951 -6.260 -3.634 325 2HG ARG 43 HG1 ARG 43 -8.338 -7.311 -2.274 326 1HD ARG 43 HD2 ARG 43 -9.954 -5.900 -1.474 327 2HD ARG 43 HD1 ARG 43 -9.040 -4.446 -1.912 328 HE ARG 43 HE ARG 43 -9.685 -4.972 -4.316 329 1HH1 ARG 43 HH21 ARG 43 -10.973 -7.631 -3.347 330 2HH1 ARG 43 HH22 ARG 43 -12.652 -7.218 -3.468 331 1HH2 ARG 43 HH11 ARG 43 -12.050 -3.803 -3.746 332 2HH2 ARG 43 HH12 ARG 43 -13.265 -5.038 -3.690 333 H GLU 44 HN GLU 44 -6.649 -7.633 -3.724 334 HA GLU 44 HA GLU 44 -5.145 -9.718 -2.893 335 1HB GLU 44 HB2 GLU 44 -6.813 -10.218 -4.363 336 2HB GLU 44 HB1 GLU 44 -6.450 -8.840 -5.398 337 1HG GLU 44 HG2 GLU 44 -5.899 -10.868 -6.619 338 2HG GLU 44 HG1 GLU 44 -4.393 -10.056 -6.190 339 H GLN 45 HN GLN 45 -4.111 -7.482 -5.474 340 HA GLN 45 HA GLN 45 -1.631 -8.784 -6.069 341 1HB GLN 45 HB2 GLN 45 -2.652 -5.949 -6.333 342 2HB GLN 45 HB1 GLN 45 -1.098 -6.464 -6.989 343 1HG GLN 45 HG2 GLN 45 -2.463 -8.363 -8.125 344 2HG GLN 45 HG1 GLN 45 -3.863 -7.342 -7.793 345 1HE2 GLN 45 HE21 GLN 45 -4.317 -6.449 -9.845 346 2HE2 GLN 45 HE22 GLN 45 -3.186 -5.597 -10.782 347 H TRP 46 HN TRP 46 -2.490 -6.404 -3.590 348 HA TRP 46 HA TRP 46 -0.172 -5.274 -2.758 349 1HB TRP 46 HB2 TRP 46 -2.255 -6.805 -1.181 350 2HB TRP 46 HB1 TRP 46 -1.061 -5.756 -0.427 351 HD1 TRP 46 HD1 TRP 46 -2.104 -4.393 -3.695 352 HE1 TRP 46 HE1 TRP 46 -3.784 -2.466 -3.359 353 HE3 TRP 46 HE3 TRP 46 -3.221 -5.053 1.232 354 HZ2 TRP 46 HZ2 TRP 46 -5.377 -1.351 -1.261 355 HZ3 TRP 46 HZ3 TRP 46 -4.831 -3.550 2.378 356 HH2 TRP 46 HH2 TRP 46 -5.924 -1.696 1.117 357 H ALA 47 HN ALA 47 -0.962 -8.691 -2.520 358 HA ALA 47 HA ALA 47 1.308 -9.390 -0.841 359 1HB ALA 47 HB1 ALA 47 -1.067 -10.513 -2.074 360 2HB ALA 47 HB2 ALA 47 -0.242 -11.001 -0.593 361 3HB ALA 47 HB3 ALA 47 0.292 -11.634 -2.150 362 H GLN 48 HN GLN 48 0.785 -9.047 -4.279 363 HA GLN 48 HA GLN 48 3.481 -10.275 -4.781 364 1HB GLN 48 HB2 GLN 48 1.018 -10.062 -6.555 365 2HB GLN 48 HB1 GLN 48 2.542 -10.813 -7.027 366 1HG GLN 48 HG2 GLN 48 2.291 -12.408 -5.108 367 2HG GLN 48 HG1 GLN 48 0.702 -11.713 -4.789 368 1HE2 GLN 48 HE21 GLN 48 2.520 -13.027 -7.632 369 2HE2 GLN 48 HE22 GLN 48 1.187 -13.853 -8.279 370 H HIS 49 HN HIS 49 1.882 -7.458 -4.438 371 HA HIS 49 HA HIS 49 2.980 -5.980 -6.732 372 1HB HIS 49 HB2 HIS 49 0.679 -5.765 -5.759 373 2HB HIS 49 HB1 HIS 49 1.418 -5.114 -4.296 374 HD1 HIS 49 HD1 HIS 49 0.754 -4.295 -7.902 375 HD2 HIS 49 HD2 HIS 49 2.467 -2.479 -4.566 376 HE1 HIS 49 HE1 HIS 49 1.069 -1.855 -8.501 377 H ILE 50 HN ILE 50 5.253 -6.458 -5.997 378 HA ILE 50 HA ILE 50 6.466 -5.693 -3.611 379 HB ILE 50 HB ILE 50 7.504 -5.573 -6.450 380 1HG1 ILE 50 HG12 ILE 50 6.479 -7.747 -5.606 381 2HG1 ILE 50 HG11 ILE 50 8.174 -7.859 -6.077 382 1HG2 ILE 50 HG21 ILE 50 8.774 -5.349 -3.745 383 2HG2 ILE 50 HG22 ILE 50 9.161 -4.482 -5.229 384 3HG2 ILE 50 HG23 ILE 50 9.664 -6.162 -5.033 385 1HD1 ILE 50 HD11 ILE 50 7.767 -7.086 -3.271 386 2HD1 ILE 50 HD12 ILE 50 8.851 -8.294 -3.960 387 3HD1 ILE 50 HD13 ILE 50 7.160 -8.694 -3.666 388 H VAL 51 HN VAL 51 6.882 -3.860 -2.676 389 HA VAL 51 HA VAL 51 6.288 -1.249 -3.979 390 HB VAL 51 HB VAL 51 6.956 -1.964 -1.106 391 1HG1 VAL 51 HG11 VAL 51 5.264 0.013 -0.837 392 2HG1 VAL 51 HG12 VAL 51 5.723 0.381 -2.500 393 3HG1 VAL 51 HG13 VAL 51 6.949 0.350 -1.231 394 1HG2 VAL 51 HG21 VAL 51 5.056 -3.326 -2.166 395 2HG2 VAL 51 HG22 VAL 51 4.184 -1.806 -2.309 396 3HG2 VAL 51 HG23 VAL 51 4.639 -2.414 -0.720 397 H GLN 52 HN GLN 52 7.934 0.410 -4.079 398 HA GLN 52 HA GLN 52 10.707 -0.597 -3.512 399 1HB GLN 52 HB2 GLN 52 9.647 1.258 -5.639 400 2HB GLN 52 HB1 GLN 52 11.341 0.819 -5.430 401 1HG GLN 52 HG2 GLN 52 10.868 -0.875 -6.886 402 2HG GLN 52 HG1 GLN 52 10.136 -1.654 -5.482 403 1HE2 GLN 52 HE21 GLN 52 8.624 -2.684 -7.114 404 2HE2 GLN 52 HE22 GLN 52 7.289 -1.792 -7.663 405 H ASP 53 HN ASP 53 12.278 0.929 -2.967 406 HA ASP 53 HA ASP 53 11.850 2.832 -1.002 407 1HB ASP 53 HB2 ASP 53 13.989 1.972 -1.557 408 2HB ASP 53 HB1 ASP 53 13.872 2.608 -3.198 409 H GLY 54 HN GLY 54 10.292 4.286 -1.270 410 1HA GLY 54 HA2 GLY 54 10.042 6.712 -1.937 411 2HA GLY 54 HA1 GLY 54 10.522 6.210 -3.563 412 H ASP 55 HN ASP 55 8.777 3.780 -2.210 413 HA ASP 55 HA ASP 55 6.699 3.543 -3.942 414 1HB ASP 55 HB2 ASP 55 7.013 1.902 -2.316 415 2HB ASP 55 HB1 ASP 55 6.999 3.071 -0.997 416 H GLN 56 HN GLN 56 4.579 4.366 -4.222 417 HA GLN 56 HA GLN 56 3.748 6.659 -2.461 418 1HB GLN 56 HB2 GLN 56 4.340 7.634 -4.556 419 2HB GLN 56 HB1 GLN 56 3.708 6.259 -5.463 420 1HG GLN 56 HG2 GLN 56 1.766 7.349 -5.692 421 2HG GLN 56 HG1 GLN 56 1.538 7.285 -3.953 422 1HE2 GLN 56 HE21 GLN 56 3.839 9.004 -3.305 423 2HE2 GLN 56 HE22 GLN 56 3.427 10.577 -3.794 424 H ILE 57 HN ILE 57 1.546 6.521 -1.766 425 HA ILE 57 HA ILE 57 -0.030 4.283 -2.968 426 HB ILE 57 HB ILE 57 0.642 4.788 -0.078 427 1HG1 ILE 57 HG12 ILE 57 1.032 2.303 -1.758 428 2HG1 ILE 57 HG11 ILE 57 2.273 3.539 -1.561 429 1HG2 ILE 57 HG21 ILE 57 -1.592 4.165 0.071 430 2HG2 ILE 57 HG22 ILE 57 -0.773 2.606 0.156 431 3HG2 ILE 57 HG23 ILE 57 -1.507 3.135 -1.357 432 1HD1 ILE 57 HD11 ILE 57 1.101 2.801 0.994 433 2HD1 ILE 57 HD12 ILE 57 2.794 2.818 0.505 434 3HD1 ILE 57 HD13 ILE 57 1.796 1.401 0.175 435 H LEU 58 HN LEU 58 -2.214 4.542 -2.955 436 HA LEU 58 HA LEU 58 -3.348 7.061 -1.805 437 1HB LEU 58 HB2 LEU 58 -3.260 6.225 -4.433 438 2HB LEU 58 HB1 LEU 58 -4.815 5.601 -3.894 439 HG LEU 58 HG LEU 58 -5.094 7.858 -4.817 440 1HD1 LEU 58 HD11 LEU 58 -5.644 7.168 -2.010 441 2HD1 LEU 58 HD12 LEU 58 -6.728 7.815 -3.240 442 3HD1 LEU 58 HD13 LEU 58 -5.671 8.901 -2.335 443 1HD2 LEU 58 HD21 LEU 58 -2.714 8.544 -4.234 444 2HD2 LEU 58 HD22 LEU 58 -3.273 8.790 -2.581 445 3HD2 LEU 58 HD23 LEU 58 -3.945 9.759 -3.890 446 H LEU 59 HN LEU 59 -4.760 6.528 -0.051 447 HA LEU 59 HA LEU 59 -5.535 3.641 0.041 448 1HB LEU 59 HB2 LEU 59 -4.079 5.047 1.770 449 2HB LEU 59 HB1 LEU 59 -5.676 5.417 2.420 450 HG LEU 59 HG LEU 59 -4.886 3.425 3.534 451 1HD1 LEU 59 HD11 LEU 59 -7.298 3.521 2.638 452 2HD1 LEU 59 HD12 LEU 59 -6.676 1.930 3.073 453 3HD1 LEU 59 HD13 LEU 59 -6.750 2.412 1.381 454 1HD2 LEU 59 HD21 LEU 59 -4.446 1.373 2.005 455 2HD2 LEU 59 HD22 LEU 59 -3.183 2.599 2.123 456 3HD2 LEU 59 HD23 LEU 59 -4.247 2.563 0.726 457 H PHE 60 HN PHE 60 -7.580 3.061 -0.127 458 HA PHE 60 HA PHE 60 -9.759 4.982 0.630 459 1HB PHE 60 HB2 PHE 60 -10.647 2.936 -1.214 460 2HB PHE 60 HB1 PHE 60 -10.656 4.678 -1.449 461 HD1 PHE 60 HD1 PHE 60 -9.215 1.578 -2.455 462 HD2 PHE 60 HD2 PHE 60 -8.421 5.783 -2.223 463 HE1 PHE 60 HE1 PHE 60 -7.422 1.325 -4.142 464 HE2 PHE 60 HE2 PHE 60 -6.633 5.538 -3.913 465 HZ PHE 60 HZ PHE 60 -6.128 3.301 -4.871 466 H GLN 61 HN GLN 61 -11.553 3.782 1.828 467 HA GLN 61 HA GLN 61 -10.654 1.022 2.589 468 1HB GLN 61 HB2 GLN 61 -11.510 3.298 4.386 469 2HB GLN 61 HB1 GLN 61 -11.070 1.681 4.937 470 1HG GLN 61 HG2 GLN 61 -8.817 1.966 3.940 471 2HG GLN 61 HG1 GLN 61 -9.260 3.595 3.430 472 1HE2 GLN 61 HE21 GLN 61 -7.105 2.971 5.328 473 2HE2 GLN 61 HE22 GLN 61 -7.532 3.697 6.802 474 H VAL 62 HN VAL 62 -12.157 -0.393 3.322 475 HA VAL 62 HA VAL 62 -14.194 -1.531 3.346 476 HB VAL 62 HB VAL 62 -14.740 1.158 4.585 477 1HG1 VAL 62 HG11 VAL 62 -16.591 -0.325 5.735 478 2HG1 VAL 62 HG12 VAL 62 -16.467 -1.269 4.248 479 3HG1 VAL 62 HG13 VAL 62 -16.911 0.438 4.178 480 1HG2 VAL 62 HG21 VAL 62 -13.413 -1.312 5.370 481 2HG2 VAL 62 HG22 VAL 62 -14.745 -0.931 6.462 482 3HG2 VAL 62 HG23 VAL 62 -13.451 0.240 6.206 483 H ILE 63 HN ILE 63 -16.100 -1.917 2.369 484 HA ILE 63 HA ILE 63 -17.160 0.065 0.391 485 HB ILE 63 HB ILE 63 -16.949 -2.974 0.259 486 1HG1 ILE 63 HG12 ILE 63 -15.796 -1.987 -2.015 487 2HG1 ILE 63 HG11 ILE 63 -15.371 -0.728 -0.853 488 1HG2 ILE 63 HG21 ILE 63 -18.999 -2.465 -0.786 489 2HG2 ILE 63 HG22 ILE 63 -17.854 -2.471 -2.128 490 3HG2 ILE 63 HG23 ILE 63 -18.393 -0.942 -1.435 491 1HD1 ILE 63 HD11 ILE 63 -14.935 -3.136 0.515 492 2HD1 ILE 63 HD12 ILE 63 -13.698 -2.070 -0.155 493 3HD1 ILE 63 HD13 ILE 63 -14.308 -3.421 -1.109 494 H ALA 64 HN ALA 64 -18.874 0.792 1.763 495 HA ALA 64 HA ALA 64 -20.608 -1.381 2.880 496 1HB ALA 64 HB1 ALA 64 -20.780 1.335 3.996 497 2HB ALA 64 HB2 ALA 64 -19.182 0.599 4.125 498 3HB ALA 64 HB3 ALA 64 -20.584 -0.211 4.823 499 H GLY 65 HN GLY 65 -22.905 -0.746 3.151 500 1HA GLY 65 HA2 GLY 65 -23.890 1.265 1.189 501 2HA GLY 65 HA1 GLY 65 -24.504 -0.388 1.103 502 H GLY 66 HN GLY 66 -25.987 -1.092 2.660 503 1HA GLY 66 HA2 GLY 66 -27.350 -0.945 4.600 504 2HA GLY 66 HA1 GLY 66 -26.544 0.568 5.013 Start of MODEL 23 1 1H MET 1 HT1 MET 1 15.416 1.175 2.167 2 2H MET 1 HT2 MET 1 14.717 -0.374 2.191 3 3H MET 1 HT3 MET 1 14.285 0.774 3.366 4 HA MET 1 HA MET 1 13.807 1.335 0.497 5 1HB MET 1 HB2 MET 1 12.977 -0.961 1.427 6 2HB MET 1 HB1 MET 1 11.808 0.038 2.294 7 1HG MET 1 HG2 MET 1 11.450 1.159 -0.010 8 2HG MET 1 HG1 MET 1 12.141 -0.326 -0.650 9 1HE MET 1 HE1 MET 1 8.730 -1.152 -1.535 10 2HE MET 1 HE2 MET 1 10.326 -0.527 -1.942 11 3HE MET 1 HE3 MET 1 9.083 0.574 -1.360 12 H GLN 2 HN GLN 2 11.943 2.801 0.365 13 HA GLN 2 HA GLN 2 11.048 4.099 2.863 14 1HB GLN 2 HB2 GLN 2 13.151 5.199 2.167 15 2HB GLN 2 HB1 GLN 2 12.444 5.503 0.581 16 1HG GLN 2 HG2 GLN 2 10.679 6.853 1.599 17 2HG GLN 2 HG1 GLN 2 11.340 6.529 3.201 18 1HE2 GLN 2 HE21 GLN 2 11.648 8.547 0.397 19 2HE2 GLN 2 HE22 GLN 2 12.996 9.433 0.927 20 H ILE 3 HN ILE 3 9.082 5.083 2.593 21 HA ILE 3 HA ILE 3 7.960 5.050 -0.131 22 HB ILE 3 HB ILE 3 6.421 3.441 0.453 23 1HG1 ILE 3 HG12 ILE 3 6.600 4.720 3.113 24 2HG1 ILE 3 HG11 ILE 3 5.184 4.138 2.253 25 1HG2 ILE 3 HG21 ILE 3 8.632 2.801 2.432 26 2HG2 ILE 3 HG22 ILE 3 8.780 2.549 0.692 27 3HG2 ILE 3 HG23 ILE 3 7.585 1.644 1.614 28 1HD1 ILE 3 HD11 ILE 3 5.636 2.841 4.329 29 2HD1 ILE 3 HD12 ILE 3 7.204 2.375 3.671 30 3HD1 ILE 3 HD13 ILE 3 5.724 1.829 2.886 31 H LEU 4 HN LEU 4 5.582 5.857 0.082 32 HA LEU 4 HA LEU 4 5.449 7.960 2.183 33 1HB LEU 4 HB2 LEU 4 5.967 8.845 -0.098 34 2HB LEU 4 HB1 LEU 4 4.492 8.084 -0.696 35 HG LEU 4 HG LEU 4 4.317 10.590 0.003 36 1HD1 LEU 4 HD11 LEU 4 2.097 10.192 0.205 37 2HD1 LEU 4 HD12 LEU 4 2.326 9.064 1.546 38 3HD1 LEU 4 HD13 LEU 4 2.543 8.518 -0.115 39 1HD2 LEU 4 HD21 LEU 4 4.258 11.094 2.274 40 2HD2 LEU 4 HD22 LEU 4 5.583 9.941 2.206 41 3HD2 LEU 4 HD23 LEU 4 3.989 9.416 2.739 42 H PHE 5 HN PHE 5 3.899 7.107 3.527 43 HA PHE 5 HA PHE 5 1.557 5.762 2.274 44 1HB PHE 5 HB2 PHE 5 2.898 4.577 3.977 45 2HB PHE 5 HB1 PHE 5 2.606 5.859 5.134 46 HD1 PHE 5 HD1 PHE 5 1.753 2.662 4.519 47 HD2 PHE 5 HD2 PHE 5 -0.241 6.446 5.012 48 HE1 PHE 5 HE1 PHE 5 -0.325 1.493 5.192 49 HE2 PHE 5 HE2 PHE 5 -2.307 5.269 5.672 50 HZ PHE 5 HZ PHE 5 -2.351 2.794 5.765 51 H ASN 6 HN ASN 6 0.112 7.478 1.753 52 HA ASN 6 HA ASN 6 -1.358 9.247 2.131 53 1HB ASN 6 HB2 ASN 6 -1.905 7.577 4.020 54 2HB ASN 6 HB1 ASN 6 -0.972 8.649 5.067 55 1HD2 ASN 6 HD21 ASN 6 -1.701 11.079 4.890 56 2HD2 ASN 6 HD22 ASN 6 -3.373 11.353 4.799 57 H ASP 7 HN ASP 7 0.880 10.151 1.512 58 HA ASP 7 HA ASP 7 2.372 11.958 1.613 59 1HB ASP 7 HB2 ASP 7 0.588 13.119 3.709 60 2HB ASP 7 HB1 ASP 7 1.408 13.925 2.374 61 H GLN 8 HN GLN 8 2.390 9.681 3.691 62 HA GLN 8 HA GLN 8 4.058 11.102 5.754 63 1HB GLN 8 HB2 GLN 8 2.615 8.443 5.894 64 2HB GLN 8 HB1 GLN 8 3.447 9.247 7.221 65 1HG GLN 8 HG2 GLN 8 1.540 11.012 5.911 66 2HG GLN 8 HG1 GLN 8 0.766 9.567 6.563 67 1HE2 GLN 8 HE21 GLN 8 2.093 9.023 8.881 68 2HE2 GLN 8 HE22 GLN 8 2.055 10.342 9.947 69 H ALA 9 HN ALA 9 6.202 10.729 5.407 70 HA ALA 9 HA ALA 9 7.119 8.736 3.536 71 1HB ALA 9 HB1 ALA 9 9.357 9.501 4.423 72 2HB ALA 9 HB2 ALA 9 8.477 10.480 5.598 73 3HB ALA 9 HB3 ALA 9 8.302 10.802 3.872 74 H MET 10 HN MET 10 8.305 6.833 3.943 75 HA MET 10 HA MET 10 8.328 5.730 6.749 76 1HB MET 10 HB2 MET 10 6.371 5.184 4.933 77 2HB MET 10 HB1 MET 10 7.566 3.960 4.531 78 1HG MET 10 HG2 MET 10 6.327 2.854 6.130 79 2HG MET 10 HG1 MET 10 7.617 3.550 7.106 80 1HE MET 10 HE1 MET 10 3.688 3.209 7.124 81 2HE MET 10 HE2 MET 10 4.343 3.790 5.595 82 3HE MET 10 HE3 MET 10 3.321 4.846 6.567 83 H GLN 11 HN GLN 11 9.288 3.390 6.548 84 HA GLN 11 HA GLN 11 11.179 3.033 4.355 85 1HB GLN 11 HB2 GLN 11 12.571 2.569 6.838 86 2HB GLN 11 HB1 GLN 11 13.067 3.529 5.454 87 1HG GLN 11 HG2 GLN 11 11.928 5.473 6.268 88 2HG GLN 11 HG1 GLN 11 11.082 4.541 7.503 89 1HE2 GLN 11 HE21 GLN 11 12.030 5.948 9.193 90 2HE2 GLN 11 HE22 GLN 11 13.650 5.754 9.659 91 H CYS 12 HN CYS 12 10.953 1.020 3.826 92 HA CYS 12 HA CYS 12 10.678 -1.134 5.877 93 1HB CYS 12 HB2 CYS 12 8.661 -1.944 4.570 94 2HB CYS 12 HB1 CYS 12 8.427 -0.436 5.437 95 HG CYS 12 HG CYS 12 8.463 0.860 3.263 96 H ALA 13 HN ALA 13 9.839 -2.995 3.779 97 HA ALA 13 HA ALA 13 12.498 -3.540 2.746 98 1HB ALA 13 HB1 ALA 13 10.655 -5.066 3.937 99 2HB ALA 13 HB2 ALA 13 11.841 -5.731 2.817 100 3HB ALA 13 HB3 ALA 13 10.213 -5.358 2.257 101 H ALA 14 HN ALA 14 13.059 -2.723 0.834 102 HA ALA 14 HA ALA 14 11.280 -1.973 -1.289 103 1HB ALA 14 HB1 ALA 14 13.268 -1.533 -2.426 104 2HB ALA 14 HB2 ALA 14 14.089 -2.923 -1.721 105 3HB ALA 14 HB3 ALA 14 13.811 -1.479 -0.748 106 H GLY 15 HN GLY 15 10.585 -3.172 -3.063 107 1HA GLY 15 HA2 GLY 15 10.328 -5.013 -4.510 108 2HA GLY 15 HA1 GLY 15 11.600 -5.830 -3.609 109 H GLN 16 HN GLN 16 9.390 -4.553 -1.471 110 HA GLN 16 HA GLN 16 8.180 -7.225 -0.992 111 1HB GLN 16 HB2 GLN 16 8.123 -6.500 1.217 112 2HB GLN 16 HB1 GLN 16 9.493 -5.585 0.598 113 1HG GLN 16 HG2 GLN 16 7.920 -3.682 0.115 114 2HG GLN 16 HG1 GLN 16 6.652 -4.586 0.942 115 1HE2 GLN 16 HE21 GLN 16 8.140 -5.670 3.114 116 2HE2 GLN 16 HE22 GLN 16 8.688 -4.401 4.095 117 H THR 17 HN THR 17 6.036 -7.529 -1.713 118 HA THR 17 HA THR 17 4.471 -5.647 -3.068 119 HB THR 17 HB THR 17 2.705 -7.148 -2.857 120 HG1 THR 17 HG1 THR 17 2.146 -7.886 -0.982 121 1HG2 THR 17 HG21 THR 17 4.734 -9.143 -2.034 122 2HG2 THR 17 HG22 THR 17 5.057 -8.205 -3.493 123 3HG2 THR 17 HG23 THR 17 3.594 -9.182 -3.376 124 H VAL 18 HN VAL 18 2.097 -5.449 -2.168 125 HA VAL 18 HA VAL 18 2.028 -3.327 -0.164 126 HB VAL 18 HB VAL 18 -0.022 -5.061 -1.463 127 1HG1 VAL 18 HG11 VAL 18 -1.334 -3.976 -0.022 128 2HG1 VAL 18 HG12 VAL 18 -1.168 -2.636 -1.159 129 3HG1 VAL 18 HG13 VAL 18 -0.133 -2.720 0.269 130 1HG2 VAL 18 HG21 VAL 18 -0.135 -3.112 -3.092 131 2HG2 VAL 18 HG22 VAL 18 1.295 -4.140 -3.191 132 3HG2 VAL 18 HG23 VAL 18 1.386 -2.580 -2.376 133 H HIS 19 HN HIS 19 0.563 -6.579 -0.537 134 HA HIS 19 HA HIS 19 -0.402 -6.941 2.104 135 1HB HIS 19 HB2 HIS 19 -0.576 -8.407 -0.016 136 2HB HIS 19 HB1 HIS 19 1.067 -8.931 0.325 137 HD1 HIS 19 HD1 HIS 19 -0.490 -11.300 0.491 138 HD2 HIS 19 HD2 HIS 19 -0.645 -8.617 3.677 139 HE1 HIS 19 HE1 HIS 19 -1.366 -12.600 2.477 140 H GLU 20 HN GLU 20 2.713 -6.807 0.612 141 HA GLU 20 HA GLU 20 4.201 -7.791 2.980 142 1HB GLU 20 HB2 GLU 20 4.802 -6.832 0.205 143 2HB GLU 20 HB1 GLU 20 6.111 -6.957 1.376 144 1HG GLU 20 HG2 GLU 20 4.391 -9.308 1.413 145 2HG GLU 20 HG1 GLU 20 5.077 -9.032 -0.188 146 H LEU 21 HN LEU 21 3.517 -4.692 1.334 147 HA LEU 21 HA LEU 21 5.195 -3.056 3.061 148 1HB LEU 21 HB2 LEU 21 3.965 -2.688 0.709 149 2HB LEU 21 HB1 LEU 21 2.670 -2.089 1.730 150 HG LEU 21 HG LEU 21 4.269 -0.324 0.873 151 1HD1 LEU 21 HD11 LEU 21 3.505 0.840 2.627 152 2HD1 LEU 21 HD12 LEU 21 4.750 0.121 3.644 153 3HD1 LEU 21 HD13 LEU 21 3.174 -0.660 3.493 154 1HD2 LEU 21 HD21 LEU 21 6.167 -1.410 2.949 155 2HD2 LEU 21 HD22 LEU 21 6.462 -0.170 1.728 156 3HD2 LEU 21 HD23 LEU 21 6.286 -1.858 1.248 157 H LEU 22 HN LEU 22 1.680 -3.523 2.893 158 HA LEU 22 HA LEU 22 0.852 -2.149 5.194 159 1HB LEU 22 HB2 LEU 22 -0.096 -4.778 3.976 160 2HB LEU 22 HB1 LEU 22 -1.067 -3.749 5.028 161 HG LEU 22 HG LEU 22 -0.014 -3.094 2.272 162 1HD1 LEU 22 HD11 LEU 22 -2.699 -3.566 3.536 163 2HD1 LEU 22 HD12 LEU 22 -2.052 -4.211 2.028 164 3HD1 LEU 22 HD13 LEU 22 -2.571 -2.527 2.117 165 1HD2 LEU 22 HD21 LEU 22 -1.302 -1.317 4.360 166 2HD2 LEU 22 HD22 LEU 22 -1.096 -0.868 2.667 167 3HD2 LEU 22 HD23 LEU 22 0.318 -1.145 3.686 168 H GLU 23 HN GLU 23 1.632 -5.586 4.841 169 HA GLU 23 HA GLU 23 1.395 -6.406 7.528 170 1HB GLU 23 HB2 GLU 23 2.857 -7.202 5.085 171 2HB GLU 23 HB1 GLU 23 3.500 -7.860 6.584 172 1HG GLU 23 HG2 GLU 23 1.213 -8.652 7.193 173 2HG GLU 23 HG1 GLU 23 0.630 -8.084 5.627 174 H GLN 24 HN GLN 24 4.327 -5.105 5.889 175 HA GLN 24 HA GLN 24 6.088 -5.170 8.142 176 1HB GLN 24 HB2 GLN 24 6.545 -4.679 5.667 177 2HB GLN 24 HB1 GLN 24 5.906 -3.065 5.963 178 1HG GLN 24 HG2 GLN 24 8.235 -2.819 6.235 179 2HG GLN 24 HG1 GLN 24 7.613 -2.933 7.880 180 1HE2 GLN 24 HE21 GLN 24 8.209 -5.552 5.465 181 2HE2 GLN 24 HE22 GLN 24 9.288 -6.415 6.452 182 H LEU 25 HN LEU 25 3.982 -2.691 6.851 183 HA LEU 25 HA LEU 25 4.408 -0.702 8.867 184 1HB LEU 25 HB2 LEU 25 2.536 -1.331 6.603 185 2HB LEU 25 HB1 LEU 25 2.175 0.036 7.661 186 HG LEU 25 HG LEU 25 4.508 0.846 7.263 187 1HD1 LEU 25 HD11 LEU 25 5.868 0.003 5.519 188 2HD1 LEU 25 HD12 LEU 25 4.606 -1.094 4.986 189 3HD1 LEU 25 HD13 LEU 25 5.424 -1.370 6.519 190 1HD2 LEU 25 HD21 LEU 25 2.908 2.003 5.982 191 2HD2 LEU 25 HD22 LEU 25 2.537 0.576 5.018 192 3HD2 LEU 25 HD23 LEU 25 4.054 1.441 4.767 193 H ASP 26 HN ASP 26 2.523 -3.552 8.711 194 HA ASP 26 HA ASP 26 1.332 -4.657 10.447 195 1HB ASP 26 HB2 ASP 26 2.629 -2.925 11.888 196 2HB ASP 26 HB1 ASP 26 1.148 -1.981 11.811 197 H GLN 27 HN GLN 27 0.349 -3.595 8.074 198 HA GLN 27 HA GLN 27 -2.397 -2.629 8.818 199 1HB GLN 27 HB2 GLN 27 -1.018 -2.167 6.176 200 2HB GLN 27 HB1 GLN 27 -2.263 -1.190 6.950 201 1HG GLN 27 HG2 GLN 27 0.573 -1.489 8.014 202 2HG GLN 27 HG1 GLN 27 0.028 -0.140 7.023 203 1HE2 GLN 27 HE21 GLN 27 -2.730 -0.651 8.639 204 2HE2 GLN 27 HE22 GLN 27 -2.457 0.251 10.051 205 H ARG 28 HN ARG 28 -4.130 -3.634 7.604 206 HA ARG 28 HA ARG 28 -3.299 -5.956 5.906 207 1HB ARG 28 HB2 ARG 28 -5.525 -5.737 7.961 208 2HB ARG 28 HB1 ARG 28 -5.201 -7.155 6.963 209 1HG ARG 28 HG2 ARG 28 -2.815 -6.170 8.366 210 2HG ARG 28 HG1 ARG 28 -4.099 -6.690 9.460 211 1HD ARG 28 HD2 ARG 28 -3.095 -8.363 7.133 212 2HD ARG 28 HD1 ARG 28 -2.558 -8.564 8.812 213 HE ARG 28 HE ARG 28 -5.174 -8.707 9.234 214 1HH1 ARG 28 HH11 ARG 28 -5.247 -8.992 6.107 215 2HH1 ARG 28 HH12 ARG 28 -5.487 -10.702 5.982 216 1HH2 ARG 28 HH21 ARG 28 -4.701 -11.330 9.297 217 2HH2 ARG 28 HH22 ARG 28 -5.194 -12.023 7.788 218 H GLN 29 HN GLN 29 -6.622 -5.816 6.244 219 HA GLN 29 HA GLN 29 -7.063 -3.821 4.092 220 1HB GLN 29 HB2 GLN 29 -7.691 -6.784 3.883 221 2HB GLN 29 HB1 GLN 29 -8.171 -5.563 2.706 222 1HG GLN 29 HG2 GLN 29 -5.818 -5.035 2.278 223 2HG GLN 29 HG1 GLN 29 -5.316 -6.224 3.480 224 1HE2 GLN 29 HE21 GLN 29 -5.118 -8.372 2.779 225 2HE2 GLN 29 HE22 GLN 29 -5.643 -8.938 1.268 226 H ALA 30 HN ALA 30 -9.140 -6.553 4.913 227 HA ALA 30 HA ALA 30 -11.246 -6.620 6.005 228 1HB ALA 30 HB1 ALA 30 -10.581 -3.914 7.125 229 2HB ALA 30 HB2 ALA 30 -9.681 -5.328 7.672 230 3HB ALA 30 HB3 ALA 30 -11.429 -5.249 7.904 231 H GLY 31 HN GLY 31 -10.421 -4.817 3.533 232 1HA GLY 31 HA2 GLY 31 -12.327 -4.108 2.080 233 2HA GLY 31 HA1 GLY 31 -12.982 -3.308 3.510 234 H ALA 32 HN ALA 32 -9.533 -3.266 2.865 235 HA ALA 32 HA ALA 32 -9.745 -0.306 2.571 236 1HB ALA 32 HB1 ALA 32 -7.188 -1.884 2.884 237 2HB ALA 32 HB2 ALA 32 -8.254 -1.660 4.270 238 3HB ALA 32 HB3 ALA 32 -7.552 -0.258 3.460 239 H ALA 33 HN ALA 33 -8.217 0.738 1.067 240 HA ALA 33 HA ALA 33 -7.215 -0.907 -1.195 241 1HB ALA 33 HB1 ALA 33 -8.435 1.160 -2.519 242 2HB ALA 33 HB2 ALA 33 -9.568 0.881 -1.197 243 3HB ALA 33 HB3 ALA 33 -9.156 -0.434 -2.298 244 H LEU 34 HN LEU 34 -5.676 0.478 -2.551 245 HA LEU 34 HA LEU 34 -4.897 3.015 -1.205 246 1HB LEU 34 HB2 LEU 34 -3.366 1.885 -0.001 247 2HB LEU 34 HB1 LEU 34 -3.742 0.398 -0.856 248 HG LEU 34 HG LEU 34 -1.998 2.434 -2.211 249 1HD1 LEU 34 HD11 LEU 34 -1.360 1.774 0.304 250 2HD1 LEU 34 HD12 LEU 34 -0.137 1.958 -0.950 251 3HD1 LEU 34 HD13 LEU 34 -0.713 0.351 -0.510 252 1HD2 LEU 34 HD21 LEU 34 -2.265 -0.584 -2.180 253 2HD2 LEU 34 HD22 LEU 34 -0.932 0.246 -2.982 254 3HD2 LEU 34 HD23 LEU 34 -2.588 0.511 -3.525 255 H ALA 35 HN ALA 35 -3.636 4.436 -2.560 256 HA ALA 35 HA ALA 35 -3.360 3.468 -5.397 257 1HB ALA 35 HB1 ALA 35 -4.815 5.614 -4.367 258 2HB ALA 35 HB2 ALA 35 -4.360 5.398 -6.054 259 3HB ALA 35 HB3 ALA 35 -3.347 6.365 -4.985 260 H ILE 36 HN ILE 36 -1.255 3.100 -5.861 261 HA ILE 36 HA ILE 36 0.838 4.616 -4.353 262 HB ILE 36 HB ILE 36 0.916 2.144 -6.128 263 1HG1 ILE 36 HG12 ILE 36 0.871 2.517 -3.114 264 2HG1 ILE 36 HG11 ILE 36 -0.362 1.732 -4.102 265 1HG2 ILE 36 HG21 ILE 36 3.087 2.295 -4.300 266 2HG2 ILE 36 HG22 ILE 36 2.979 3.865 -5.097 267 3HG2 ILE 36 HG23 ILE 36 3.154 2.398 -6.059 268 1HD1 ILE 36 HD11 ILE 36 1.265 0.158 -2.916 269 2HD1 ILE 36 HD12 ILE 36 2.500 0.760 -4.022 270 3HD1 ILE 36 HD13 ILE 36 1.084 -0.077 -4.652 271 H ASN 37 HN ASN 37 2.182 6.063 -5.542 272 HA ASN 37 HA ASN 37 2.844 7.386 -7.397 273 1HB ASN 37 HB2 ASN 37 2.576 4.557 -8.415 274 2HB ASN 37 HB1 ASN 37 3.086 5.849 -9.501 275 1HD2 ASN 37 HD21 ASN 37 4.864 3.716 -8.819 276 2HD2 ASN 37 HD22 ASN 37 6.123 4.353 -7.874 277 H GLN 38 HN GLN 38 -0.097 6.924 -6.766 278 HA GLN 38 HA GLN 38 -2.054 7.963 -7.587 279 1HB GLN 38 HB2 GLN 38 -1.828 9.428 -9.328 280 2HB GLN 38 HB1 GLN 38 -0.117 9.102 -9.088 281 1HG GLN 38 HG2 GLN 38 -0.802 7.053 -10.769 282 2HG GLN 38 HG1 GLN 38 -1.891 8.326 -11.320 283 1HE2 GLN 38 HE21 GLN 38 0.244 7.463 -12.990 284 2HE2 GLN 38 HE22 GLN 38 1.394 8.707 -13.100 285 H GLN 39 HN GLN 39 -0.671 5.091 -8.698 286 HA GLN 39 HA GLN 39 -3.008 4.426 -10.408 287 1HB GLN 39 HB2 GLN 39 -1.730 2.206 -10.577 288 2HB GLN 39 HB1 GLN 39 -0.919 3.612 -11.257 289 1HG GLN 39 HG2 GLN 39 0.642 3.708 -9.527 290 2HG GLN 39 HG1 GLN 39 -0.420 2.861 -8.397 291 1HE2 GLN 39 HE21 GLN 39 -0.963 0.481 -9.206 292 2HE2 GLN 39 HE22 GLN 39 0.353 -0.394 -9.825 293 H ILE 40 HN ILE 40 -4.799 3.959 -9.211 294 HA ILE 40 HA ILE 40 -4.685 2.935 -6.499 295 HB ILE 40 HB ILE 40 -6.815 3.338 -8.600 296 1HG1 ILE 40 HG12 ILE 40 -7.612 4.976 -6.829 297 2HG1 ILE 40 HG11 ILE 40 -6.108 4.659 -5.966 298 1HG2 ILE 40 HG21 ILE 40 -7.225 2.340 -5.760 299 2HG2 ILE 40 HG22 ILE 40 -7.410 1.354 -7.210 300 3HG2 ILE 40 HG23 ILE 40 -8.496 2.714 -6.924 301 1HD1 ILE 40 HD11 ILE 40 -5.984 6.679 -7.432 302 2HD1 ILE 40 HD12 ILE 40 -6.269 5.644 -8.829 303 3HD1 ILE 40 HD13 ILE 40 -4.802 5.446 -7.869 304 H VAL 41 HN VAL 41 -3.977 0.852 -6.152 305 HA VAL 41 HA VAL 41 -4.610 -1.235 -8.177 306 HB VAL 41 HB VAL 41 -2.968 -1.327 -5.647 307 1HG1 VAL 41 HG11 VAL 41 -3.912 -3.469 -6.715 308 2HG1 VAL 41 HG12 VAL 41 -2.172 -3.417 -6.433 309 3HG1 VAL 41 HG13 VAL 41 -2.811 -3.142 -8.055 310 1HG2 VAL 41 HG21 VAL 41 -1.473 -0.081 -6.820 311 2HG2 VAL 41 HG22 VAL 41 -2.487 -0.141 -8.261 312 3HG2 VAL 41 HG23 VAL 41 -1.328 -1.433 -7.945 313 HA PRO 42 HA PRO 42 -7.737 -2.799 -5.592 314 1HB PRO 42 HB2 PRO 42 -7.876 -5.296 -6.631 315 2HB PRO 42 HB1 PRO 42 -8.549 -3.853 -7.394 316 1HG PRO 42 HG2 PRO 42 -6.056 -5.333 -8.007 317 2HG PRO 42 HG1 PRO 42 -7.191 -4.541 -9.112 318 1HD PRO 42 HD2 PRO 42 -4.801 -3.463 -8.336 319 2HD PRO 42 HD1 PRO 42 -6.197 -2.509 -8.878 320 H ARG 43 HN ARG 43 -7.474 -3.389 -3.687 321 HA ARG 43 HA ARG 43 -5.578 -4.221 -2.037 322 1HB ARG 43 HB2 ARG 43 -7.389 -5.834 -1.034 323 2HB ARG 43 HB1 ARG 43 -7.705 -4.105 -1.104 324 1HG ARG 43 HG2 ARG 43 -9.497 -4.456 -2.423 325 2HG ARG 43 HG1 ARG 43 -8.516 -5.345 -3.584 326 1HD ARG 43 HD2 ARG 43 -10.096 -6.959 -2.871 327 2HD ARG 43 HD1 ARG 43 -8.691 -7.304 -1.844 328 HE ARG 43 HE ARG 43 -10.295 -5.291 -0.587 329 1HH1 ARG 43 HH11 ARG 43 -9.514 -8.578 -0.674 330 2HH1 ARG 43 HH12 ARG 43 -10.828 -9.088 0.334 331 1HH2 ARG 43 HH21 ARG 43 -12.333 -5.965 0.402 332 2HH2 ARG 43 HH22 ARG 43 -12.423 -7.608 0.944 333 H GLU 44 HN GLU 44 -7.465 -6.819 -3.602 334 HA GLU 44 HA GLU 44 -6.066 -9.024 -2.845 335 1HB GLU 44 HB2 GLU 44 -8.050 -9.028 -4.201 336 2HB GLU 44 HB1 GLU 44 -7.181 -8.282 -5.545 337 1HG GLU 44 HG2 GLU 44 -6.193 -10.251 -6.171 338 2HG GLU 44 HG1 GLU 44 -5.959 -10.772 -4.503 339 H GLN 45 HN GLN 45 -5.095 -6.900 -5.554 340 HA GLN 45 HA GLN 45 -2.842 -8.479 -6.349 341 1HB GLN 45 HB2 GLN 45 -3.659 -5.591 -6.645 342 2HB GLN 45 HB1 GLN 45 -2.122 -6.165 -7.295 343 1HG GLN 45 HG2 GLN 45 -4.863 -7.290 -7.951 344 2HG GLN 45 HG1 GLN 45 -3.873 -6.292 -9.017 345 1HE2 GLN 45 HE21 GLN 45 -1.603 -7.263 -9.507 346 2HE2 GLN 45 HE22 GLN 45 -1.509 -8.949 -9.680 347 H TRP 46 HN TRP 46 -3.268 -6.214 -3.700 348 HA TRP 46 HA TRP 46 -0.762 -5.326 -3.031 349 1HB TRP 46 HB2 TRP 46 -2.930 -6.660 -1.381 350 2HB TRP 46 HB1 TRP 46 -1.543 -5.861 -0.649 351 HD1 TRP 46 HD1 TRP 46 -2.457 -4.042 -3.707 352 HE1 TRP 46 HE1 TRP 46 -3.812 -1.925 -3.142 353 HE3 TRP 46 HE3 TRP 46 -3.629 -5.007 1.171 354 HZ2 TRP 46 HZ2 TRP 46 -5.206 -0.797 -0.916 355 HZ3 TRP 46 HZ3 TRP 46 -4.979 -3.387 2.482 356 HH2 TRP 46 HH2 TRP 46 -5.770 -1.285 1.434 357 H ALA 47 HN ALA 47 -1.962 -8.635 -2.846 358 HA ALA 47 HA ALA 47 0.324 -9.712 -1.426 359 1HB ALA 47 HB1 ALA 47 -0.833 -11.785 -1.870 360 2HB ALA 47 HB2 ALA 47 -1.755 -11.032 -3.173 361 3HB ALA 47 HB3 ALA 47 -2.034 -10.547 -1.499 362 H GLN 48 HN GLN 48 -0.282 -8.867 -4.714 363 HA GLN 48 HA GLN 48 2.194 -10.344 -5.535 364 1HB GLN 48 HB2 GLN 48 -0.342 -9.806 -7.130 365 2HB GLN 48 HB1 GLN 48 1.101 -10.602 -7.754 366 1HG GLN 48 HG2 GLN 48 0.550 -12.020 -5.430 367 2HG GLN 48 HG1 GLN 48 -1.048 -11.698 -6.102 368 1HE2 GLN 48 HE21 GLN 48 -1.147 -14.080 -6.613 369 2HE2 GLN 48 HE22 GLN 48 -0.353 -14.660 -7.997 370 H HIS 49 HN HIS 49 1.027 -7.446 -4.766 371 HA HIS 49 HA HIS 49 2.057 -5.920 -7.082 372 1HB HIS 49 HB2 HIS 49 -0.126 -5.394 -6.133 373 2HB HIS 49 HB1 HIS 49 0.592 -5.190 -4.536 374 HD1 HIS 49 HD1 HIS 49 -0.048 -3.413 -7.700 375 HD2 HIS 49 HD2 HIS 49 2.421 -2.881 -4.385 376 HE1 HIS 49 HE1 HIS 49 0.834 -1.039 -7.829 377 H ILE 50 HN ILE 50 4.347 -6.573 -6.557 378 HA ILE 50 HA ILE 50 5.748 -6.060 -4.190 379 HB ILE 50 HB ILE 50 6.463 -5.885 -7.113 380 1HG1 ILE 50 HG12 ILE 50 5.774 -8.071 -6.029 381 2HG1 ILE 50 HG11 ILE 50 7.397 -8.077 -6.724 382 1HG2 ILE 50 HG21 ILE 50 8.368 -4.844 -6.498 383 2HG2 ILE 50 HG22 ILE 50 8.797 -6.312 -5.619 384 3HG2 ILE 50 HG23 ILE 50 7.966 -4.997 -4.788 385 1HD1 ILE 50 HD11 ILE 50 7.407 -7.133 -3.970 386 2HD1 ILE 50 HD12 ILE 50 8.341 -8.436 -4.706 387 3HD1 ILE 50 HD13 ILE 50 6.718 -8.750 -4.099 388 H VAL 51 HN VAL 51 6.222 -4.220 -3.123 389 HA VAL 51 HA VAL 51 5.554 -1.574 -4.280 390 HB VAL 51 HB VAL 51 6.758 -2.223 -1.576 391 1HG1 VAL 51 HG11 VAL 51 5.756 0.107 -2.872 392 2HG1 VAL 51 HG12 VAL 51 6.342 -0.051 -1.216 393 3HG1 VAL 51 HG13 VAL 51 4.636 -0.316 -1.576 394 1HG2 VAL 51 HG21 VAL 51 3.811 -2.059 -1.794 395 2HG2 VAL 51 HG22 VAL 51 4.816 -3.102 -0.801 396 3HG2 VAL 51 HG23 VAL 51 4.515 -3.522 -2.478 397 H GLN 52 HN GLN 52 7.157 0.049 -4.653 398 HA GLN 52 HA GLN 52 9.913 -1.002 -5.051 399 1HB GLN 52 HB2 GLN 52 8.390 1.443 -5.937 400 2HB GLN 52 HB1 GLN 52 10.072 1.129 -6.368 401 1HG GLN 52 HG2 GLN 52 9.139 0.070 -8.176 402 2HG GLN 52 HG1 GLN 52 8.954 -1.261 -7.034 403 1HE2 GLN 52 HE21 GLN 52 6.804 -1.694 -6.192 404 2HE2 GLN 52 HE22 GLN 52 5.423 -0.971 -6.863 405 H ASP 53 HN ASP 53 11.755 0.084 -4.279 406 HA ASP 53 HA ASP 53 11.662 1.393 -1.776 407 1HB ASP 53 HB2 ASP 53 13.998 1.884 -2.290 408 2HB ASP 53 HB1 ASP 53 13.599 0.246 -2.802 409 H GLY 54 HN GLY 54 10.851 3.307 -1.389 410 1HA GLY 54 HA2 GLY 54 10.796 5.733 -1.609 411 2HA GLY 54 HA1 GLY 54 11.232 5.548 -3.318 412 H ASP 55 HN ASP 55 9.090 3.231 -2.148 413 HA ASP 55 HA ASP 55 7.043 3.570 -3.983 414 1HB ASP 55 HB2 ASP 55 7.158 1.578 -2.778 415 2HB ASP 55 HB1 ASP 55 7.283 2.409 -1.227 416 H GLN 56 HN GLN 56 5.057 4.633 -3.998 417 HA GLN 56 HA GLN 56 4.568 6.663 -1.838 418 1HB GLN 56 HB2 GLN 56 4.999 7.816 -3.886 419 2HB GLN 56 HB1 GLN 56 4.099 6.624 -4.827 420 1HG GLN 56 HG2 GLN 56 2.142 7.657 -4.452 421 2HG GLN 56 HG1 GLN 56 2.465 7.806 -2.732 422 1HE2 GLN 56 HE21 GLN 56 2.285 9.990 -2.194 423 2HE2 GLN 56 HE22 GLN 56 2.937 11.270 -3.098 424 H ILE 57 HN ILE 57 2.390 6.714 -1.028 425 HA ILE 57 HA ILE 57 0.602 4.589 -2.145 426 HB ILE 57 HB ILE 57 1.564 5.037 0.653 427 1HG1 ILE 57 HG12 ILE 57 1.576 2.561 -1.081 428 2HG1 ILE 57 HG11 ILE 57 2.961 3.633 -0.861 429 1HG2 ILE 57 HG21 ILE 57 -0.018 2.877 0.876 430 2HG2 ILE 57 HG22 ILE 57 -0.915 3.774 -0.349 431 3HG2 ILE 57 HG23 ILE 57 -0.576 4.514 1.216 432 1HD1 ILE 57 HD11 ILE 57 1.492 2.205 1.373 433 2HD1 ILE 57 HD12 ILE 57 2.905 3.243 1.560 434 3HD1 ILE 57 HD13 ILE 57 3.047 1.708 0.702 435 H LEU 58 HN LEU 58 -1.550 4.872 -1.883 436 HA LEU 58 HA LEU 58 -2.537 7.356 -0.554 437 1HB LEU 58 HB2 LEU 58 -3.020 6.156 -3.172 438 2HB LEU 58 HB1 LEU 58 -4.505 6.526 -2.312 439 HG LEU 58 HG LEU 58 -3.196 8.815 -1.846 440 1HD1 LEU 58 HD11 LEU 58 -1.754 7.489 -4.059 441 2HD1 LEU 58 HD12 LEU 58 -1.221 8.776 -2.978 442 3HD1 LEU 58 HD13 LEU 58 -2.224 9.159 -4.377 443 1HD2 LEU 58 HD21 LEU 58 -4.325 8.611 -4.601 444 2HD2 LEU 58 HD22 LEU 58 -4.708 9.751 -3.312 445 3HD2 LEU 58 HD23 LEU 58 -5.371 8.118 -3.269 446 H LEU 59 HN LEU 59 -4.244 6.898 0.990 447 HA LEU 59 HA LEU 59 -4.679 3.960 1.388 448 1HB LEU 59 HB2 LEU 59 -3.432 5.307 3.102 449 2HB LEU 59 HB1 LEU 59 -4.887 6.272 3.344 450 HG LEU 59 HG LEU 59 -4.563 4.377 5.005 451 1HD1 LEU 59 HD11 LEU 59 -6.802 4.407 5.262 452 2HD1 LEU 59 HD12 LEU 59 -7.066 3.623 3.705 453 3HD1 LEU 59 HD13 LEU 59 -6.854 5.371 3.787 454 1HD2 LEU 59 HD21 LEU 59 -4.686 2.150 4.332 455 2HD2 LEU 59 HD22 LEU 59 -3.814 2.856 2.972 456 3HD2 LEU 59 HD23 LEU 59 -5.543 2.542 2.841 457 H PHE 60 HN PHE 60 -6.726 3.182 1.204 458 HA PHE 60 HA PHE 60 -8.989 5.156 1.126 459 1HB PHE 60 HB2 PHE 60 -8.629 2.408 -0.128 460 2HB PHE 60 HB1 PHE 60 -10.112 3.353 -0.221 461 HD1 PHE 60 HD1 PHE 60 -6.435 3.792 -0.833 462 HD2 PHE 60 HD2 PHE 60 -10.433 4.661 -2.124 463 HE1 PHE 60 HE1 PHE 60 -5.536 4.960 -2.824 464 HE2 PHE 60 HE2 PHE 60 -9.541 5.837 -4.114 465 HZ PHE 60 HZ PHE 60 -7.089 5.990 -4.467 466 H GLN 61 HN GLN 61 -10.647 4.814 2.612 467 HA GLN 61 HA GLN 61 -10.169 2.773 4.691 468 1HB GLN 61 HB2 GLN 61 -11.743 4.094 5.941 469 2HB GLN 61 HB1 GLN 61 -10.749 5.240 5.041 470 1HG GLN 61 HG2 GLN 61 -12.458 5.456 3.327 471 2HG GLN 61 HG1 GLN 61 -13.430 4.197 4.088 472 1HE2 GLN 61 HE21 GLN 61 -15.101 6.047 4.134 473 2HE2 GLN 61 HE22 GLN 61 -15.059 7.103 5.463 474 H VAL 62 HN VAL 62 -12.263 1.704 5.540 475 HA VAL 62 HA VAL 62 -13.255 -0.301 4.036 476 HB VAL 62 HB VAL 62 -14.535 1.498 6.069 477 1HG1 VAL 62 HG11 VAL 62 -16.409 -0.188 6.190 478 2HG1 VAL 62 HG12 VAL 62 -15.829 -0.863 4.669 479 3HG1 VAL 62 HG13 VAL 62 -16.433 0.793 4.724 480 1HG2 VAL 62 HG21 VAL 62 -12.800 -0.689 6.122 481 2HG2 VAL 62 HG22 VAL 62 -14.368 -1.374 6.553 482 3HG2 VAL 62 HG23 VAL 62 -13.698 -0.043 7.496 483 H ILE 63 HN ILE 63 -14.986 -0.687 2.617 484 HA ILE 63 HA ILE 63 -16.050 1.709 1.162 485 HB ILE 63 HB ILE 63 -16.046 -0.837 -0.292 486 1HG1 ILE 63 HG12 ILE 63 -13.455 0.159 0.915 487 2HG1 ILE 63 HG11 ILE 63 -14.086 -1.485 0.896 488 1HG2 ILE 63 HG21 ILE 63 -16.282 1.479 -1.238 489 2HG2 ILE 63 HG22 ILE 63 -15.018 0.525 -2.015 490 3HG2 ILE 63 HG23 ILE 63 -14.589 1.765 -0.837 491 1HD1 ILE 63 HD11 ILE 63 -12.816 -1.840 -0.932 492 2HD1 ILE 63 HD12 ILE 63 -12.436 -0.125 -1.077 493 3HD1 ILE 63 HD13 ILE 63 -13.908 -0.766 -1.806 494 H ALA 64 HN ALA 64 -18.018 1.784 2.346 495 HA ALA 64 HA ALA 64 -19.696 -0.694 2.188 496 1HB ALA 64 HB1 ALA 64 -19.678 1.526 4.247 497 2HB ALA 64 HB2 ALA 64 -18.830 -0.011 4.425 498 3HB ALA 64 HB3 ALA 64 -20.592 0.021 4.340 499 H GLY 65 HN GLY 65 -22.113 -0.150 2.211 500 1HA GLY 65 HA2 GLY 65 -23.474 2.127 1.888 501 2HA GLY 65 HA1 GLY 65 -22.591 2.113 0.363 502 H GLY 66 HN GLY 66 -25.541 1.623 1.318 503 1HA GLY 66 HA2 GLY 66 -26.077 -1.057 0.250 504 2HA GLY 66 HA1 GLY 66 -27.290 0.106 0.791 Start of MODEL 24 1 1H MET 1 HT1 MET 1 -14.192 2.083 -2.726 2 2H MET 1 HT2 MET 1 -15.145 3.393 -2.217 3 3H MET 1 HT3 MET 1 -15.285 1.884 -1.442 4 HA MET 1 HA MET 1 -13.982 3.479 -0.119 5 1HB MET 1 HB2 MET 1 -12.898 1.663 0.639 6 2HB MET 1 HB1 MET 1 -13.645 0.825 -0.714 7 1HG MET 1 HG2 MET 1 -11.412 0.302 -1.016 8 2HG MET 1 HG1 MET 1 -11.588 1.720 -2.048 9 1HE MET 1 HE1 MET 1 -9.802 0.023 0.697 10 2HE MET 1 HE2 MET 1 -10.962 0.804 1.767 11 3HE MET 1 HE3 MET 1 -9.259 1.262 1.834 12 H GLN 2 HN GLN 2 -11.828 4.489 0.080 13 HA GLN 2 HA GLN 2 -10.400 4.925 -2.474 14 1HB GLN 2 HB2 GLN 2 -11.961 6.691 -2.562 15 2HB GLN 2 HB1 GLN 2 -11.881 6.954 -0.826 16 1HG GLN 2 HG2 GLN 2 -9.428 7.658 -1.226 17 2HG GLN 2 HG1 GLN 2 -9.865 7.753 -2.928 18 1HE2 GLN 2 HE21 GLN 2 -10.938 9.632 -3.624 19 2HE2 GLN 2 HE22 GLN 2 -11.497 10.851 -2.580 20 H ILE 3 HN ILE 3 -8.344 5.975 -2.142 21 HA ILE 3 HA ILE 3 -7.393 5.837 0.643 22 HB ILE 3 HB ILE 3 -5.981 4.097 0.138 23 1HG1 ILE 3 HG12 ILE 3 -5.870 5.396 -2.517 24 2HG1 ILE 3 HG11 ILE 3 -4.568 4.711 -1.561 25 1HG2 ILE 3 HG21 ILE 3 -7.193 2.443 -1.223 26 2HG2 ILE 3 HG22 ILE 3 -8.129 3.737 -1.974 27 3HG2 ILE 3 HG23 ILE 3 -8.323 3.385 -0.261 28 1HD1 ILE 3 HD11 ILE 3 -5.293 2.432 -2.198 29 2HD1 ILE 3 HD12 ILE 3 -4.952 3.397 -3.633 30 3HD1 ILE 3 HD13 ILE 3 -6.620 3.115 -3.137 31 H LEU 4 HN LEU 4 -4.973 6.410 0.637 32 HA LEU 4 HA LEU 4 -4.444 8.513 -1.420 33 1HB LEU 4 HB2 LEU 4 -4.922 9.404 0.876 34 2HB LEU 4 HB1 LEU 4 -3.584 8.429 1.492 35 HG LEU 4 HG LEU 4 -3.042 10.904 0.876 36 1HD1 LEU 4 HD11 LEU 4 -0.891 10.221 0.683 37 2HD1 LEU 4 HD12 LEU 4 -1.252 9.137 -0.665 38 3HD1 LEU 4 HD13 LEU 4 -1.575 8.627 0.993 39 1HD2 LEU 4 HD21 LEU 4 -2.808 9.795 -1.898 40 2HD2 LEU 4 HD22 LEU 4 -2.872 11.479 -1.373 41 3HD2 LEU 4 HD23 LEU 4 -4.332 10.500 -1.375 42 H PHE 5 HN PHE 5 -3.003 7.453 -2.727 43 HA PHE 5 HA PHE 5 -0.892 5.803 -1.443 44 1HB PHE 5 HB2 PHE 5 -2.301 4.776 -3.182 45 2HB PHE 5 HB1 PHE 5 -1.869 6.060 -4.311 46 HD1 PHE 5 HD1 PHE 5 0.474 6.275 -5.127 47 HD2 PHE 5 HD2 PHE 5 -0.798 2.980 -2.688 48 HE1 PHE 5 HE1 PHE 5 2.523 5.024 -5.752 49 HE2 PHE 5 HE2 PHE 5 1.248 1.726 -3.310 50 HZ PHE 5 HZ PHE 5 2.909 2.749 -4.840 51 H ASN 6 HN ASN 6 0.748 7.298 -0.891 52 HA ASN 6 HA ASN 6 2.480 8.824 -1.266 53 1HB ASN 6 HB2 ASN 6 2.644 7.108 -3.239 54 2HB ASN 6 HB1 ASN 6 1.977 8.417 -4.211 55 1HD2 ASN 6 HD21 ASN 6 4.071 8.468 -5.403 56 2HD2 ASN 6 HD22 ASN 6 5.420 9.233 -4.708 57 H ASP 7 HN ASP 7 0.332 10.009 -0.615 58 HA ASP 7 HA ASP 7 -0.915 11.989 -0.689 59 1HB ASP 7 HB2 ASP 7 1.094 12.967 -2.687 60 2HB ASP 7 HB1 ASP 7 0.289 13.855 -1.399 61 H GLN 8 HN GLN 8 -1.157 9.800 -2.831 62 HA GLN 8 HA GLN 8 -2.573 11.446 -4.917 63 1HB GLN 8 HB2 GLN 8 -1.541 8.604 -5.094 64 2HB GLN 8 HB1 GLN 8 -2.063 9.635 -6.424 65 1HG GLN 8 HG2 GLN 8 -0.098 11.114 -5.064 66 2HG GLN 8 HG1 GLN 8 0.537 9.473 -5.169 67 1HE2 GLN 8 HE21 GLN 8 1.954 11.162 -6.682 68 2HE2 GLN 8 HE22 GLN 8 1.543 11.065 -8.326 69 H ALA 9 HN ALA 9 -4.761 11.328 -4.570 70 HA ALA 9 HA ALA 9 -5.954 9.375 -2.826 71 1HB ALA 9 HB1 ALA 9 -6.745 11.707 -3.416 72 2HB ALA 9 HB2 ALA 9 -7.996 10.463 -3.445 73 3HB ALA 9 HB3 ALA 9 -7.295 11.043 -4.955 74 H MET 10 HN MET 10 -7.231 7.571 -3.354 75 HA MET 10 HA MET 10 -7.225 6.596 -6.205 76 1HB MET 10 HB2 MET 10 -5.380 5.805 -4.399 77 2HB MET 10 HB1 MET 10 -6.705 4.726 -3.986 78 1HG MET 10 HG2 MET 10 -5.663 3.450 -5.574 79 2HG MET 10 HG1 MET 10 -6.796 4.341 -6.583 80 1HE MET 10 HE1 MET 10 -3.329 4.905 -4.826 81 2HE MET 10 HE2 MET 10 -2.272 4.787 -6.230 82 3HE MET 10 HE3 MET 10 -3.288 3.417 -5.782 83 H GLN 11 HN GLN 11 -8.565 4.559 -6.375 84 HA GLN 11 HA GLN 11 -10.539 4.265 -4.190 85 1HB GLN 11 HB2 GLN 11 -11.689 3.812 -6.822 86 2HB GLN 11 HB1 GLN 11 -12.321 4.756 -5.484 87 1HG GLN 11 HG2 GLN 11 -11.176 6.715 -6.158 88 2HG GLN 11 HG1 GLN 11 -10.082 5.819 -7.210 89 1HE2 GLN 11 HE21 GLN 11 -12.863 7.735 -7.247 90 2HE2 GLN 11 HE22 GLN 11 -13.467 7.272 -8.765 91 H CYS 12 HN CYS 12 -10.452 2.261 -3.594 92 HA CYS 12 HA CYS 12 -10.051 0.083 -5.606 93 1HB CYS 12 HB2 CYS 12 -8.316 -0.889 -4.227 94 2HB CYS 12 HB1 CYS 12 -7.899 0.795 -4.536 95 HG CYS 12 HG CYS 12 -9.444 0.722 -1.986 96 H ALA 13 HN ALA 13 -9.943 -2.044 -3.937 97 HA ALA 13 HA ALA 13 -12.691 -2.331 -3.106 98 1HB ALA 13 HB1 ALA 13 -10.240 -3.970 -3.442 99 2HB ALA 13 HB2 ALA 13 -11.877 -4.275 -4.023 100 3HB ALA 13 HB3 ALA 13 -11.462 -4.604 -2.340 101 H ALA 14 HN ALA 14 -13.249 -1.337 -1.151 102 HA ALA 14 HA ALA 14 -11.490 -0.974 1.074 103 1HB ALA 14 HB1 ALA 14 -14.242 -1.499 1.835 104 2HB ALA 14 HB2 ALA 14 -14.174 -0.474 0.404 105 3HB ALA 14 HB3 ALA 14 -13.351 0.023 1.881 106 H GLY 15 HN GLY 15 -10.997 -2.346 2.762 107 1HA GLY 15 HA2 GLY 15 -11.177 -4.246 4.178 108 2HA GLY 15 HA1 GLY 15 -12.363 -4.910 3.059 109 H GLN 16 HN GLN 16 -10.158 -3.905 0.988 110 HA GLN 16 HA GLN 16 -8.922 -6.564 0.727 111 1HB GLN 16 HB2 GLN 16 -8.753 -5.919 -1.458 112 2HB GLN 16 HB1 GLN 16 -9.886 -4.667 -0.977 113 1HG GLN 16 HG2 GLN 16 -7.918 -3.192 -0.437 114 2HG GLN 16 HG1 GLN 16 -6.868 -4.425 -1.133 115 1HE2 GLN 16 HE21 GLN 16 -7.529 -5.086 -3.488 116 2HE2 GLN 16 HE22 GLN 16 -8.057 -3.831 -4.500 117 H THR 17 HN THR 17 -6.773 -6.980 1.423 118 HA THR 17 HA THR 17 -5.381 -5.093 3.018 119 HB THR 17 HB THR 17 -3.661 -6.655 3.091 120 HG1 THR 17 HG1 THR 17 -3.220 -8.036 1.335 121 1HG2 THR 17 HG21 THR 17 -4.835 -8.439 3.764 122 2HG2 THR 17 HG22 THR 17 -5.305 -8.813 2.106 123 3HG2 THR 17 HG23 THR 17 -6.268 -7.685 3.062 124 H VAL 18 HN VAL 18 -2.863 -5.130 2.218 125 HA VAL 18 HA VAL 18 -2.585 -3.001 0.237 126 HB VAL 18 HB VAL 18 -0.753 -4.870 1.657 127 1HG1 VAL 18 HG11 VAL 18 -0.291 -2.401 0.072 128 2HG1 VAL 18 HG12 VAL 18 0.554 -3.947 -0.001 129 3HG1 VAL 18 HG13 VAL 18 0.830 -2.855 1.357 130 1HG2 VAL 18 HG21 VAL 18 -2.319 -3.557 3.064 131 2HG2 VAL 18 HG22 VAL 18 -1.555 -2.099 2.432 132 3HG2 VAL 18 HG23 VAL 18 -0.613 -3.246 3.385 133 H HIS 19 HN HIS 19 -1.328 -6.305 0.659 134 HA HIS 19 HA HIS 19 -0.237 -6.727 -1.906 135 1HB HIS 19 HB2 HIS 19 -0.419 -8.131 0.337 136 2HB HIS 19 HB1 HIS 19 -1.900 -8.739 -0.389 137 HD1 HIS 19 HD1 HIS 19 1.575 -9.517 -0.195 138 HD2 HIS 19 HD2 HIS 19 -1.247 -9.700 -3.262 139 HE1 HIS 19 HE1 HIS 19 2.543 -11.043 -1.967 140 H GLU 20 HN GLU 20 -3.432 -6.484 -0.600 141 HA GLU 20 HA GLU 20 -4.807 -7.444 -3.048 142 1HB GLU 20 HB2 GLU 20 -5.587 -6.262 -0.380 143 2HB GLU 20 HB1 GLU 20 -6.791 -6.513 -1.644 144 1HG GLU 20 HG2 GLU 20 -4.978 -8.664 -0.505 145 2HG GLU 20 HG1 GLU 20 -6.679 -8.447 -0.090 146 H LEU 21 HN LEU 21 -4.017 -4.370 -1.409 147 HA LEU 21 HA LEU 21 -5.421 -2.734 -3.371 148 1HB LEU 21 HB2 LEU 21 -4.773 -2.076 -1.017 149 2HB LEU 21 HB1 LEU 21 -3.097 -1.997 -1.565 150 HG LEU 21 HG LEU 21 -3.714 -0.328 -3.265 151 1HD1 LEU 21 HD11 LEU 21 -6.108 0.646 -2.952 152 2HD1 LEU 21 HD12 LEU 21 -6.465 -0.896 -2.176 153 3HD1 LEU 21 HD13 LEU 21 -5.931 -0.859 -3.857 154 1HD2 LEU 21 HD21 LEU 21 -3.481 0.103 -0.572 155 2HD2 LEU 21 HD22 LEU 21 -5.044 0.855 -0.907 156 3HD2 LEU 21 HD23 LEU 21 -3.605 1.390 -1.771 157 H LEU 22 HN LEU 22 -1.921 -3.306 -2.788 158 HA LEU 22 HA LEU 22 -0.711 -2.111 -4.948 159 1HB LEU 22 HB2 LEU 22 -0.389 -4.780 -3.578 160 2HB LEU 22 HB1 LEU 22 0.643 -4.389 -4.944 161 HG LEU 22 HG LEU 22 1.472 -3.820 -2.547 162 1HD1 LEU 22 HD11 LEU 22 2.868 -2.243 -3.532 163 2HD1 LEU 22 HD12 LEU 22 1.554 -1.518 -4.463 164 3HD1 LEU 22 HD13 LEU 22 2.222 -3.074 -4.945 165 1HD2 LEU 22 HD21 LEU 22 -0.414 -1.505 -3.120 166 2HD2 LEU 22 HD22 LEU 22 0.827 -1.501 -1.868 167 3HD2 LEU 22 HD23 LEU 22 -0.525 -2.629 -1.766 168 H GLU 23 HN GLU 23 -1.978 -5.420 -4.968 169 HA GLU 23 HA GLU 23 -1.744 -5.997 -7.724 170 1HB GLU 23 HB2 GLU 23 -2.344 -7.532 -5.875 171 2HB GLU 23 HB1 GLU 23 -3.917 -6.747 -5.739 172 1HG GLU 23 HG2 GLU 23 -4.738 -7.775 -7.603 173 2HG GLU 23 HG1 GLU 23 -3.196 -7.679 -8.454 174 H GLN 24 HN GLN 24 -4.531 -4.530 -5.981 175 HA GLN 24 HA GLN 24 -6.191 -4.149 -8.290 176 1HB GLN 24 HB2 GLN 24 -6.980 -4.090 -5.971 177 2HB GLN 24 HB1 GLN 24 -5.992 -2.667 -5.643 178 1HG GLN 24 HG2 GLN 24 -8.283 -1.951 -6.057 179 2HG GLN 24 HG1 GLN 24 -7.280 -1.437 -7.413 180 1HE2 GLN 24 HE21 GLN 24 -8.741 -4.646 -6.650 181 2HE2 GLN 24 HE22 GLN 24 -9.566 -4.783 -8.130 182 H LEU 25 HN LEU 25 -3.864 -1.983 -6.662 183 HA LEU 25 HA LEU 25 -4.209 0.246 -8.435 184 1HB LEU 25 HB2 LEU 25 -1.817 -0.662 -6.795 185 2HB LEU 25 HB1 LEU 25 -2.167 0.984 -7.303 186 HG LEU 25 HG LEU 25 -3.557 -0.672 -5.204 187 1HD1 LEU 25 HD11 LEU 25 -3.285 1.644 -4.050 188 2HD1 LEU 25 HD12 LEU 25 -2.140 1.967 -5.353 189 3HD1 LEU 25 HD13 LEU 25 -1.861 0.620 -4.251 190 1HD2 LEU 25 HD21 LEU 25 -4.796 1.250 -7.014 191 2HD2 LEU 25 HD22 LEU 25 -4.918 1.751 -5.332 192 3HD2 LEU 25 HD23 LEU 25 -5.550 0.181 -5.832 193 H ASP 26 HN ASP 26 -2.589 -2.800 -8.571 194 HA ASP 26 HA ASP 26 -1.633 -3.903 -10.442 195 1HB ASP 26 HB2 ASP 26 -2.862 -2.114 -11.777 196 2HB ASP 26 HB1 ASP 26 -1.386 -1.159 -11.667 197 H GLN 27 HN GLN 27 -0.354 -2.976 -8.104 198 HA GLN 27 HA GLN 27 2.377 -2.235 -9.114 199 1HB GLN 27 HB2 GLN 27 1.405 -1.886 -6.288 200 2HB GLN 27 HB1 GLN 27 2.604 -0.941 -7.163 201 1HG GLN 27 HG2 GLN 27 -0.269 -0.919 -8.085 202 2HG GLN 27 HG1 GLN 27 0.218 0.078 -6.721 203 1HE2 GLN 27 HE21 GLN 27 0.200 2.146 -7.717 204 2HE2 GLN 27 HE22 GLN 27 1.178 2.553 -9.045 205 H ARG 28 HN ARG 28 3.593 -4.156 -9.115 206 HA ARG 28 HA ARG 28 2.960 -6.301 -7.209 207 1HB ARG 28 HB2 ARG 28 4.912 -5.849 -9.461 208 2HB ARG 28 HB1 ARG 28 5.034 -7.281 -8.434 209 1HG ARG 28 HG2 ARG 28 2.280 -6.904 -9.161 210 2HG ARG 28 HG1 ARG 28 3.264 -6.870 -10.627 211 1HD ARG 28 HD2 ARG 28 4.273 -9.016 -10.063 212 2HD ARG 28 HD1 ARG 28 3.446 -9.027 -8.495 213 HE ARG 28 HE ARG 28 1.682 -8.730 -10.838 214 1HH1 ARG 28 HH11 ARG 28 3.335 -11.409 -10.503 215 2HH1 ARG 28 HH12 ARG 28 2.108 -12.405 -9.794 216 1HH2 ARG 28 HH21 ARG 28 -0.001 -9.750 -9.063 217 2HH2 ARG 28 HH22 ARG 28 0.220 -11.467 -8.978 218 H GLN 29 HN GLN 29 4.614 -3.480 -6.930 219 HA GLN 29 HA GLN 29 6.344 -2.634 -5.602 220 1HB GLN 29 HB2 GLN 29 5.880 -3.128 -3.304 221 2HB GLN 29 HB1 GLN 29 4.338 -3.223 -4.154 222 1HG GLN 29 HG2 GLN 29 4.109 -5.418 -3.707 223 2HG GLN 29 HG1 GLN 29 5.775 -5.765 -4.145 224 1HE2 GLN 29 HE21 GLN 29 7.295 -4.384 -2.352 225 2HE2 GLN 29 HE22 GLN 29 6.934 -4.854 -0.761 226 H ALA 30 HN ALA 30 7.126 -4.717 -7.331 227 HA ALA 30 HA ALA 30 8.490 -6.902 -6.587 228 1HB ALA 30 HB1 ALA 30 9.719 -4.581 -8.081 229 2HB ALA 30 HB2 ALA 30 8.431 -5.589 -8.745 230 3HB ALA 30 HB3 ALA 30 10.000 -6.299 -8.369 231 H GLY 31 HN GLY 31 9.382 -3.601 -5.788 232 1HA GLY 31 HA2 GLY 31 11.042 -4.522 -3.534 233 2HA GLY 31 HA1 GLY 31 11.871 -3.549 -4.760 234 H ALA 32 HN ALA 32 8.974 -3.505 -2.654 235 HA ALA 32 HA ALA 32 9.340 -0.538 -2.415 236 1HB ALA 32 HB1 ALA 32 7.394 -0.208 -3.503 237 2HB ALA 32 HB2 ALA 32 6.562 -1.283 -2.378 238 3HB ALA 32 HB3 ALA 32 7.316 -1.940 -3.830 239 H ALA 33 HN ALA 33 8.001 0.369 -0.696 240 HA ALA 33 HA ALA 33 7.108 -1.411 1.492 241 1HB ALA 33 HB1 ALA 33 8.852 0.811 2.357 242 2HB ALA 33 HB2 ALA 33 9.692 -0.459 1.466 243 3HB ALA 33 HB3 ALA 33 8.796 -0.855 2.934 244 H LEU 34 HN LEU 34 5.678 -0.093 2.975 245 HA LEU 34 HA LEU 34 5.118 2.649 1.972 246 1HB LEU 34 HB2 LEU 34 3.356 1.930 0.772 247 2HB LEU 34 HB1 LEU 34 3.811 0.281 1.164 248 HG LEU 34 HG LEU 34 2.156 1.903 3.104 249 1HD1 LEU 34 HD11 LEU 34 1.330 1.258 0.483 250 2HD1 LEU 34 HD12 LEU 34 0.323 1.819 1.821 251 3HD1 LEU 34 HD13 LEU 34 0.549 0.092 1.548 252 1HD2 LEU 34 HD21 LEU 34 3.138 -0.222 3.875 253 2HD2 LEU 34 HD22 LEU 34 2.408 -1.063 2.507 254 3HD2 LEU 34 HD23 LEU 34 1.384 -0.355 3.760 255 H ALA 35 HN ALA 35 3.629 3.847 3.371 256 HA ALA 35 HA ALA 35 3.374 2.693 6.126 257 1HB ALA 35 HB1 ALA 35 4.543 4.461 6.944 258 2HB ALA 35 HB2 ALA 35 3.597 5.602 5.993 259 3HB ALA 35 HB3 ALA 35 5.000 4.808 5.276 260 H ILE 36 HN ILE 36 1.229 2.406 6.462 261 HA ILE 36 HA ILE 36 -0.683 4.197 5.060 262 HB ILE 36 HB ILE 36 -1.216 1.741 6.763 263 1HG1 ILE 36 HG12 ILE 36 -0.360 2.075 3.890 264 2HG1 ILE 36 HG11 ILE 36 0.186 0.891 5.076 265 1HG2 ILE 36 HG21 ILE 36 -2.914 2.499 4.451 266 2HG2 ILE 36 HG22 ILE 36 -2.956 3.618 5.812 267 3HG2 ILE 36 HG23 ILE 36 -3.388 1.924 6.051 268 1HD1 ILE 36 HD11 ILE 36 -1.257 -0.567 4.134 269 2HD1 ILE 36 HD12 ILE 36 -2.001 0.705 3.165 270 3HD1 ILE 36 HD13 ILE 36 -2.566 0.404 4.807 271 H ASN 37 HN ASN 37 -1.911 5.720 6.182 272 HA ASN 37 HA ASN 37 -2.511 7.083 8.011 273 1HB ASN 37 HB2 ASN 37 -2.561 4.257 9.072 274 2HB ASN 37 HB1 ASN 37 -3.070 5.625 10.066 275 1HD2 ASN 37 HD21 ASN 37 -4.581 3.305 8.539 276 2HD2 ASN 37 HD22 ASN 37 -5.844 4.139 7.765 277 H GLN 38 HN GLN 38 0.373 6.418 7.481 278 HA GLN 38 HA GLN 38 2.361 7.330 8.387 279 1HB GLN 38 HB2 GLN 38 2.188 8.657 10.241 280 2HB GLN 38 HB1 GLN 38 0.463 8.435 9.964 281 1HG GLN 38 HG2 GLN 38 0.849 6.270 11.465 282 2HG GLN 38 HG1 GLN 38 2.223 7.204 12.051 283 1HE2 GLN 38 HE21 GLN 38 -0.082 6.596 13.702 284 2HE2 GLN 38 HE22 GLN 38 -0.846 8.064 14.072 285 H GLN 39 HN GLN 39 0.914 4.424 9.144 286 HA GLN 39 HA GLN 39 3.150 3.567 10.911 287 1HB GLN 39 HB2 GLN 39 1.800 1.545 11.221 288 2HB GLN 39 HB1 GLN 39 0.777 2.960 11.442 289 1HG GLN 39 HG2 GLN 39 0.660 2.385 8.696 290 2HG GLN 39 HG1 GLN 39 0.548 0.824 9.505 291 1HE2 GLN 39 HE21 GLN 39 -1.793 0.975 8.628 292 2HE2 GLN 39 HE22 GLN 39 -2.932 1.784 9.591 293 H ILE 40 HN ILE 40 4.992 3.108 9.688 294 HA ILE 40 HA ILE 40 4.813 2.100 6.963 295 HB ILE 40 HB ILE 40 7.020 2.377 9.019 296 1HG1 ILE 40 HG12 ILE 40 7.889 3.797 6.966 297 2HG1 ILE 40 HG11 ILE 40 6.195 3.788 6.498 298 1HG2 ILE 40 HG21 ILE 40 7.506 0.344 7.743 299 2HG2 ILE 40 HG22 ILE 40 8.595 1.629 7.224 300 3HG2 ILE 40 HG23 ILE 40 7.209 1.191 6.225 301 1HD1 ILE 40 HD11 ILE 40 7.342 4.765 9.127 302 2HD1 ILE 40 HD12 ILE 40 5.615 4.637 8.789 303 3HD1 ILE 40 HD13 ILE 40 6.613 5.759 7.865 304 H VAL 41 HN VAL 41 4.406 0.024 6.413 305 HA VAL 41 HA VAL 41 4.880 -2.106 8.474 306 HB VAL 41 HB VAL 41 2.971 -2.011 6.145 307 1HG1 VAL 41 HG11 VAL 41 3.874 -4.236 7.080 308 2HG1 VAL 41 HG12 VAL 41 2.124 -4.059 6.943 309 3HG1 VAL 41 HG13 VAL 41 2.908 -3.878 8.512 310 1HG2 VAL 41 HG21 VAL 41 1.307 -1.917 8.179 311 2HG2 VAL 41 HG22 VAL 41 2.101 -0.428 7.670 312 3HG2 VAL 41 HG23 VAL 41 2.705 -1.312 9.071 313 HA PRO 42 HA PRO 42 7.521 -3.832 5.474 314 1HB PRO 42 HB2 PRO 42 7.465 -6.414 6.368 315 2HB PRO 42 HB1 PRO 42 8.413 -5.120 7.113 316 1HG PRO 42 HG2 PRO 42 5.813 -6.289 7.949 317 2HG PRO 42 HG1 PRO 42 7.176 -5.763 8.949 318 1HD PRO 42 HD2 PRO 42 4.927 -4.280 8.597 319 2HD PRO 42 HD1 PRO 42 6.525 -3.570 8.917 320 H ARG 43 HN ARG 43 7.035 -4.496 3.562 321 HA ARG 43 HA ARG 43 4.735 -4.909 2.226 322 1HB ARG 43 HB2 ARG 43 6.029 -6.564 0.793 323 2HB ARG 43 HB1 ARG 43 6.839 -5.031 1.099 324 1HG ARG 43 HG2 ARG 43 7.969 -6.240 3.080 325 2HG ARG 43 HG1 ARG 43 7.403 -7.728 2.313 326 1HD ARG 43 HD2 ARG 43 9.406 -7.578 1.198 327 2HD ARG 43 HD1 ARG 43 8.501 -6.453 0.166 328 HE ARG 43 HE ARG 43 9.299 -4.803 2.179 329 1HH1 ARG 43 HH21 ARG 43 10.667 -5.157 -0.606 330 2HH1 ARG 43 HH22 ARG 43 12.324 -5.267 -0.113 331 1HH2 ARG 43 HH11 ARG 43 11.573 -5.824 3.228 332 2HH2 ARG 43 HH12 ARG 43 12.836 -5.647 2.057 333 H GLU 44 HN GLU 44 6.423 -7.573 3.829 334 HA GLU 44 HA GLU 44 4.897 -9.757 3.204 335 1HB GLU 44 HB2 GLU 44 6.876 -9.861 4.472 336 2HB GLU 44 HB1 GLU 44 6.242 -8.765 5.696 337 1HG GLU 44 HG2 GLU 44 6.244 -11.119 6.504 338 2HG GLU 44 HG1 GLU 44 4.605 -10.475 6.404 339 H GLN 45 HN GLN 45 3.996 -7.206 5.506 340 HA GLN 45 HA GLN 45 1.653 -8.662 6.470 341 1HB GLN 45 HB2 GLN 45 2.626 -5.810 6.672 342 2HB GLN 45 HB1 GLN 45 1.178 -6.381 7.493 343 1HG GLN 45 HG2 GLN 45 3.986 -7.462 7.867 344 2HG GLN 45 HG1 GLN 45 3.104 -6.455 9.014 345 1HE2 GLN 45 HE21 GLN 45 0.919 -7.434 9.771 346 2HE2 GLN 45 HE22 GLN 45 0.862 -9.119 9.983 347 H TRP 46 HN TRP 46 2.319 -6.347 3.891 348 HA TRP 46 HA TRP 46 -0.080 -5.217 3.236 349 1HB TRP 46 HB2 TRP 46 1.937 -6.714 1.527 350 2HB TRP 46 HB1 TRP 46 0.700 -5.659 0.853 351 HD1 TRP 46 HD1 TRP 46 2.043 -4.428 4.116 352 HE1 TRP 46 HE1 TRP 46 3.657 -2.456 3.716 353 HE3 TRP 46 HE3 TRP 46 2.593 -4.763 -0.931 354 HZ2 TRP 46 HZ2 TRP 46 5.015 -1.190 1.508 355 HZ3 TRP 46 HZ3 TRP 46 4.050 -3.175 -2.156 356 HH2 TRP 46 HH2 TRP 46 5.272 -1.391 -0.928 357 H ALA 47 HN ALA 47 0.788 -8.620 2.930 358 HA ALA 47 HA ALA 47 -1.576 -9.391 1.429 359 1HB ALA 47 HB1 ALA 47 -0.572 -11.632 2.626 360 2HB ALA 47 HB2 ALA 47 0.815 -10.545 2.700 361 3HB ALA 47 HB3 ALA 47 0.072 -10.922 1.146 362 H GLN 48 HN GLN 48 -0.924 -8.731 4.721 363 HA GLN 48 HA GLN 48 -3.523 -9.995 5.530 364 1HB GLN 48 HB2 GLN 48 -1.051 -9.519 7.228 365 2HB GLN 48 HB1 GLN 48 -2.465 -10.480 7.656 366 1HG GLN 48 HG2 GLN 48 -1.955 -12.092 5.891 367 2HG GLN 48 HG1 GLN 48 -0.587 -11.112 5.360 368 1HE2 GLN 48 HE21 GLN 48 1.289 -10.958 6.859 369 2HE2 GLN 48 HE22 GLN 48 1.528 -12.142 8.047 370 H HIS 49 HN HIS 49 -2.324 -7.200 4.647 371 HA HIS 49 HA HIS 49 -3.121 -5.566 7.002 372 1HB HIS 49 HB2 HIS 49 -0.907 -5.394 5.812 373 2HB HIS 49 HB1 HIS 49 -1.791 -4.825 4.395 374 HD1 HIS 49 HD1 HIS 49 -0.765 -3.805 7.851 375 HD2 HIS 49 HD2 HIS 49 -2.936 -2.212 4.669 376 HE1 HIS 49 HE1 HIS 49 -1.114 -1.352 8.380 377 H ILE 50 HN ILE 50 -5.470 -6.194 6.369 378 HA ILE 50 HA ILE 50 -6.812 -5.478 4.039 379 HB ILE 50 HB ILE 50 -7.633 -5.282 6.944 380 1HG1 ILE 50 HG12 ILE 50 -6.842 -7.507 6.058 381 2HG1 ILE 50 HG11 ILE 50 -8.522 -7.509 6.596 382 1HG2 ILE 50 HG21 ILE 50 -9.523 -4.327 6.159 383 2HG2 ILE 50 HG22 ILE 50 -9.858 -5.851 5.335 384 3HG2 ILE 50 HG23 ILE 50 -9.009 -4.560 4.487 385 1HD1 ILE 50 HD11 ILE 50 -7.981 -6.837 3.736 386 2HD1 ILE 50 HD12 ILE 50 -9.356 -7.674 4.449 387 3HD1 ILE 50 HD13 ILE 50 -7.825 -8.521 4.226 388 H VAL 51 HN VAL 51 -7.230 -3.630 3.069 389 HA VAL 51 HA VAL 51 -6.436 -1.042 4.270 390 HB VAL 51 HB VAL 51 -7.497 -1.821 1.529 391 1HG1 VAL 51 HG11 VAL 51 -6.482 0.632 2.764 392 2HG1 VAL 51 HG12 VAL 51 -7.440 0.429 1.299 393 3HG1 VAL 51 HG13 VAL 51 -5.687 0.225 1.244 394 1HG2 VAL 51 HG21 VAL 51 -4.609 -1.557 2.405 395 2HG2 VAL 51 HG22 VAL 51 -5.215 -2.189 0.872 396 3HG2 VAL 51 HG23 VAL 51 -5.447 -3.101 2.365 397 H GLN 52 HN GLN 52 -7.938 0.674 4.641 398 HA GLN 52 HA GLN 52 -10.832 -0.130 4.688 399 1HB GLN 52 HB2 GLN 52 -9.143 1.855 6.222 400 2HB GLN 52 HB1 GLN 52 -10.898 1.751 6.386 401 1HG GLN 52 HG2 GLN 52 -9.401 -0.810 6.608 402 2HG GLN 52 HG1 GLN 52 -9.215 0.324 7.952 403 1HE2 GLN 52 HE21 GLN 52 -11.620 -1.551 6.107 404 2HE2 GLN 52 HE22 GLN 52 -12.847 -1.446 7.272 405 H ASP 53 HN ASP 53 -12.445 1.374 3.959 406 HA ASP 53 HA ASP 53 -11.824 3.048 1.749 407 1HB ASP 53 HB2 ASP 53 -14.094 3.786 2.030 408 2HB ASP 53 HB1 ASP 53 -14.030 2.078 2.457 409 H GLY 54 HN GLY 54 -10.482 4.688 1.932 410 1HA GLY 54 HA2 GLY 54 -10.201 7.048 2.696 411 2HA GLY 54 HA1 GLY 54 -10.646 6.472 4.315 412 H ASP 55 HN ASP 55 -8.963 4.133 2.618 413 HA ASP 55 HA ASP 55 -6.834 3.784 4.343 414 1HB ASP 55 HB2 ASP 55 -7.422 2.171 2.704 415 2HB ASP 55 HB1 ASP 55 -7.165 3.313 1.387 416 H GLN 56 HN GLN 56 -4.730 4.642 4.505 417 HA GLN 56 HA GLN 56 -3.985 6.799 2.546 418 1HB GLN 56 HB2 GLN 56 -4.451 7.888 4.615 419 2HB GLN 56 HB1 GLN 56 -3.716 6.587 5.556 420 1HG GLN 56 HG2 GLN 56 -1.712 7.580 5.442 421 2HG GLN 56 HG1 GLN 56 -1.792 7.629 3.690 422 1HE2 GLN 56 HE21 GLN 56 -2.682 9.581 2.679 423 2HE2 GLN 56 HE22 GLN 56 -2.851 11.024 3.558 424 H ILE 57 HN ILE 57 -1.757 6.709 1.862 425 HA ILE 57 HA ILE 57 -0.194 4.395 2.938 426 HB ILE 57 HB ILE 57 -0.955 5.026 0.107 427 1HG1 ILE 57 HG12 ILE 57 -1.409 2.590 1.831 428 2HG1 ILE 57 HG11 ILE 57 -2.629 3.799 1.429 429 1HG2 ILE 57 HG21 ILE 57 1.256 3.400 1.249 430 2HG2 ILE 57 HG22 ILE 57 1.178 4.267 -0.285 431 3HG2 ILE 57 HG23 ILE 57 0.371 2.709 -0.111 432 1HD1 ILE 57 HD11 ILE 57 -2.453 1.636 -0.040 433 2HD1 ILE 57 HD12 ILE 57 -1.075 2.466 -0.764 434 3HD1 ILE 57 HD13 ILE 57 -2.678 3.199 -0.827 435 H LEU 58 HN LEU 58 1.987 4.523 2.740 436 HA LEU 58 HA LEU 58 3.164 7.058 1.680 437 1HB LEU 58 HB2 LEU 58 3.283 5.906 4.212 438 2HB LEU 58 HB1 LEU 58 4.795 5.394 3.469 439 HG LEU 58 HG LEU 58 5.378 7.455 4.431 440 1HD1 LEU 58 HD11 LEU 58 5.966 8.793 2.633 441 2HD1 LEU 58 HD12 LEU 58 4.390 8.629 1.861 442 3HD1 LEU 58 HD13 LEU 58 5.552 7.304 1.780 443 1HD2 LEU 58 HD21 LEU 58 2.853 8.740 3.389 444 2HD2 LEU 58 HD22 LEU 58 3.936 9.330 4.650 445 3HD2 LEU 58 HD23 LEU 58 2.903 7.931 4.952 446 H LEU 59 HN LEU 59 4.970 6.640 0.143 447 HA LEU 59 HA LEU 59 5.086 3.743 -0.617 448 1HB LEU 59 HB2 LEU 59 4.041 5.486 -2.159 449 2HB LEU 59 HB1 LEU 59 5.662 6.147 -2.360 450 HG LEU 59 HG LEU 59 4.905 4.457 -4.131 451 1HD1 LEU 59 HD11 LEU 59 7.323 3.288 -2.893 452 2HD1 LEU 59 HD12 LEU 59 7.374 5.034 -3.134 453 3HD1 LEU 59 HD13 LEU 59 7.094 3.959 -4.505 454 1HD2 LEU 59 HD21 LEU 59 5.595 2.407 -2.022 455 2HD2 LEU 59 HD22 LEU 59 4.844 2.151 -3.596 456 3HD2 LEU 59 HD23 LEU 59 3.928 2.914 -2.296 457 H PHE 60 HN PHE 60 7.004 2.731 -0.719 458 HA PHE 60 HA PHE 60 9.514 4.342 -0.388 459 1HB PHE 60 HB2 PHE 60 8.630 1.629 0.637 460 2HB PHE 60 HB1 PHE 60 10.318 2.136 0.657 461 HD1 PHE 60 HD1 PHE 60 6.972 3.665 1.495 462 HD2 PHE 60 HD2 PHE 60 11.064 3.027 2.628 463 HE1 PHE 60 HE1 PHE 60 6.609 4.982 3.570 464 HE2 PHE 60 HE2 PHE 60 10.705 4.337 4.702 465 HZ PHE 60 HZ PHE 60 8.474 5.316 5.173 466 H GLN 61 HN GLN 61 11.110 3.928 -1.957 467 HA GLN 61 HA GLN 61 10.294 2.199 -4.217 468 1HB GLN 61 HB2 GLN 61 12.643 4.071 -3.785 469 2HB GLN 61 HB1 GLN 61 12.183 3.343 -5.326 470 1HG GLN 61 HG2 GLN 61 10.826 5.110 -5.663 471 2HG GLN 61 HG1 GLN 61 9.828 4.507 -4.340 472 1HE2 GLN 61 HE21 GLN 61 11.618 7.192 -5.335 473 2HE2 GLN 61 HE22 GLN 61 11.852 7.922 -3.817 474 H VAL 62 HN VAL 62 12.171 0.921 -5.242 475 HA VAL 62 HA VAL 62 12.924 -1.251 -3.697 476 HB VAL 62 HB VAL 62 14.261 0.103 -6.051 477 1HG1 VAL 62 HG11 VAL 62 15.638 -1.809 -6.373 478 2HG1 VAL 62 HG12 VAL 62 14.737 -2.757 -5.190 479 3HG1 VAL 62 HG13 VAL 62 15.792 -1.450 -4.655 480 1HG2 VAL 62 HG21 VAL 62 11.861 -1.241 -5.800 481 2HG2 VAL 62 HG22 VAL 62 12.957 -2.512 -6.345 482 3HG2 VAL 62 HG23 VAL 62 12.761 -1.046 -7.305 483 H ILE 63 HN ILE 63 14.783 -1.863 -2.575 484 HA ILE 63 HA ILE 63 16.632 0.340 -1.730 485 HB ILE 63 HB ILE 63 15.655 -2.088 -0.175 486 1HG1 ILE 63 HG12 ILE 63 14.580 -0.078 1.182 487 2HG1 ILE 63 HG11 ILE 63 14.670 0.739 -0.379 488 1HG2 ILE 63 HG21 ILE 63 17.393 0.289 0.513 489 2HG2 ILE 63 HG22 ILE 63 17.785 -1.423 0.664 490 3HG2 ILE 63 HG23 ILE 63 16.607 -0.691 1.751 491 1HD1 ILE 63 HD11 ILE 63 13.193 -0.744 -1.396 492 2HD1 ILE 63 HD12 ILE 63 12.536 -0.683 0.241 493 3HD1 ILE 63 HD13 ILE 63 13.548 -2.039 -0.253 494 H ALA 64 HN ALA 64 18.246 -0.223 -3.264 495 HA ALA 64 HA ALA 64 19.225 -3.048 -3.117 496 1HB ALA 64 HB1 ALA 64 19.386 -1.005 -5.344 497 2HB ALA 64 HB2 ALA 64 18.143 -2.247 -5.209 498 3HB ALA 64 HB3 ALA 64 19.826 -2.711 -5.456 499 H GLY 65 HN GLY 65 21.613 -3.259 -3.546 500 1HA GLY 65 HA2 GLY 65 23.145 -1.549 -1.825 501 2HA GLY 65 HA1 GLY 65 23.820 -2.754 -2.921 502 H GLY 66 HN GLY 66 23.556 0.556 -2.337 503 1HA GLY 66 HA2 GLY 66 24.502 1.128 -5.118 504 2HA GLY 66 HA1 GLY 66 23.391 2.220 -4.288
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