NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
8567 | 1mg8 | 5496 | cing | recoord | 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 11.181 -15.540 21.114 2 2H MET 1 HT2 MET 1 12.185 -16.583 22.005 3 3H MET 1 HT3 MET 1 12.678 -14.988 21.688 4 HA MET 1 HA MET 1 10.674 -15.975 23.599 5 1HB MET 1 HB2 MET 1 12.619 -13.677 23.841 6 2HB MET 1 HB1 MET 1 11.871 -14.620 25.132 7 1HG MET 1 HG2 MET 1 13.169 -16.566 24.572 8 2HG MET 1 HG1 MET 1 13.765 -15.812 23.094 9 1HE MET 1 HE1 MET 1 15.477 -17.129 25.725 10 2HE MET 1 HE2 MET 1 14.089 -16.538 26.635 11 3HE MET 1 HE3 MET 1 15.703 -15.951 27.024 12 H GLY 2 HN GLY 2 10.281 -13.367 24.731 13 1HA GLY 2 HA2 GLY 2 9.448 -11.153 23.811 14 2HA GLY 2 HA1 GLY 2 8.628 -12.109 22.574 15 H MET 3 HN MET 3 7.623 -10.293 24.784 16 HA MET 3 HA MET 3 5.926 -12.259 26.236 17 1HB MET 3 HB2 MET 3 6.670 -10.975 27.955 18 2HB MET 3 HB1 MET 3 7.064 -9.616 26.908 19 1HG MET 3 HG2 MET 3 4.719 -8.951 26.823 20 2HG MET 3 HG1 MET 3 4.251 -10.383 27.740 21 1HE MET 3 HE1 MET 3 5.315 -11.081 29.768 22 2HE MET 3 HE2 MET 3 5.613 -10.032 31.152 23 3HE MET 3 HE3 MET 3 6.911 -10.358 30.006 24 H ILE 4 HN ILE 4 3.620 -11.583 26.533 25 HA ILE 4 HA ILE 4 2.414 -11.062 23.967 26 HB ILE 4 HB ILE 4 1.573 -11.883 26.620 27 1HG1 ILE 4 HG12 ILE 4 -0.402 -12.548 24.810 28 2HG1 ILE 4 HG11 ILE 4 1.016 -12.396 23.774 29 1HG2 ILE 4 HG21 ILE 4 0.490 -9.687 26.669 30 2HG2 ILE 4 HG22 ILE 4 -0.732 -10.938 26.404 31 3HG2 ILE 4 HG23 ILE 4 -0.164 -9.957 25.052 32 1HD1 ILE 4 HD11 ILE 4 0.507 -14.687 24.947 33 2HD1 ILE 4 HD12 ILE 4 1.246 -13.908 26.347 34 3HD1 ILE 4 HD13 ILE 4 2.166 -14.092 24.853 35 H VAL 5 HN VAL 5 1.302 -9.267 23.245 36 HA VAL 5 HA VAL 5 1.591 -6.749 24.808 37 HB VAL 5 HB VAL 5 0.573 -6.625 22.036 38 1HG1 VAL 5 HG11 VAL 5 2.954 -5.218 23.249 39 2HG1 VAL 5 HG12 VAL 5 1.300 -4.717 23.601 40 3HG1 VAL 5 HG13 VAL 5 1.904 -4.663 21.944 41 1HG2 VAL 5 HG21 VAL 5 3.449 -7.431 22.575 42 2HG2 VAL 5 HG22 VAL 5 2.774 -7.003 21.003 43 3HG2 VAL 5 HG23 VAL 5 2.228 -8.462 21.830 44 H PHE 6 HN PHE 6 -0.499 -5.353 24.685 45 HA PHE 6 HA PHE 6 -2.797 -7.236 24.858 46 1HB PHE 6 HB2 PHE 6 -2.127 -5.609 26.753 47 2HB PHE 6 HB1 PHE 6 -2.823 -4.354 25.724 48 HD1 PHE 6 HD1 PHE 6 -4.915 -3.771 26.580 49 HD2 PHE 6 HD2 PHE 6 -3.815 -7.916 26.326 50 HE1 PHE 6 HE1 PHE 6 -7.194 -4.419 27.316 51 HE2 PHE 6 HE2 PHE 6 -6.093 -8.564 27.063 52 HZ PHE 6 HZ PHE 6 -7.783 -6.817 27.554 53 H VAL 7 HN VAL 7 -3.674 -7.397 22.803 54 HA VAL 7 HA VAL 7 -3.951 -4.933 21.182 55 HB VAL 7 HB VAL 7 -4.419 -7.868 20.659 56 1HG1 VAL 7 HG11 VAL 7 -5.885 -5.615 19.520 57 2HG1 VAL 7 HG12 VAL 7 -6.155 -7.336 19.303 58 3HG1 VAL 7 HG13 VAL 7 -5.001 -6.492 18.274 59 1HG2 VAL 7 HG21 VAL 7 -2.722 -7.592 19.032 60 2HG2 VAL 7 HG22 VAL 7 -2.168 -6.582 20.370 61 3HG2 VAL 7 HG23 VAL 7 -2.946 -5.844 18.966 62 H ARG 8 HN ARG 8 -5.731 -3.696 21.670 63 HA ARG 8 HA ARG 8 -8.091 -5.041 22.794 64 1HB ARG 8 HB2 ARG 8 -8.069 -2.169 21.879 65 2HB ARG 8 HB1 ARG 8 -8.976 -2.895 23.206 66 1HG ARG 8 HG2 ARG 8 -5.959 -2.804 23.260 67 2HG ARG 8 HG1 ARG 8 -6.916 -1.429 23.803 68 1HD ARG 8 HD2 ARG 8 -7.164 -4.257 24.878 69 2HD ARG 8 HD1 ARG 8 -6.309 -2.937 25.681 70 HE ARG 8 HE ARG 8 -9.243 -3.203 25.432 71 1HH1 ARG 8 HH21 ARG 8 -7.753 -2.662 28.003 72 2HH1 ARG 8 HH22 ARG 8 -8.054 -0.972 28.237 73 1HH2 ARG 8 HH11 ARG 8 -9.107 -0.442 24.973 74 2HH2 ARG 8 HH12 ARG 8 -8.830 0.283 26.521 75 H PHE 9 HN PHE 9 -8.923 -6.344 21.209 76 HA PHE 9 HA PHE 9 -9.065 -5.647 18.429 77 1HB PHE 9 HB2 PHE 9 -9.898 -7.831 20.170 78 2HB PHE 9 HB1 PHE 9 -11.072 -7.519 18.898 79 HD1 PHE 9 HD1 PHE 9 -9.296 -9.949 19.413 80 HD2 PHE 9 HD2 PHE 9 -8.811 -6.548 16.780 81 HE1 PHE 9 HE1 PHE 9 -7.879 -11.299 17.912 82 HE2 PHE 9 HE2 PHE 9 -7.430 -7.949 15.304 83 HZ PHE 9 HZ PHE 9 -6.954 -10.302 15.858 84 H ASN 10 HN ASN 10 -10.144 -3.656 18.155 85 HA ASN 10 HA ASN 10 -12.002 -2.242 17.939 86 1HB ASN 10 HB2 ASN 10 -12.903 -4.528 17.036 87 2HB ASN 10 HB1 ASN 10 -13.779 -4.592 18.566 88 1HD2 ASN 10 HD21 ASN 10 -13.231 -2.400 15.760 89 2HD2 ASN 10 HD22 ASN 10 -14.762 -1.671 15.840 90 H SER 11 HN SER 11 -14.503 -3.287 19.685 91 HA SER 11 HA SER 11 -13.378 -2.279 22.263 92 1HB SER 11 HB2 SER 11 -15.622 -1.189 22.626 93 2HB SER 11 HB1 SER 11 -14.680 -0.486 21.314 94 HG SER 11 HG SER 11 -15.913 -1.688 19.856 95 H SER 12 HN SER 12 -13.983 -3.413 24.073 96 HA SER 12 HA SER 12 -15.123 -4.989 25.402 97 1HB SER 12 HB2 SER 12 -17.137 -4.182 23.934 98 2HB SER 12 HB1 SER 12 -16.898 -5.707 23.087 99 HG SER 12 HG SER 12 -18.118 -6.397 24.683 100 H TYR 13 HN TYR 13 -13.397 -5.525 22.636 101 HA TYR 13 HA TYR 13 -13.249 -8.450 23.228 102 1HB TYR 13 HB2 TYR 13 -14.457 -7.748 21.020 103 2HB TYR 13 HB1 TYR 13 -12.834 -7.367 20.447 104 HD1 TYR 13 HD1 TYR 13 -11.021 -9.221 20.775 105 HD2 TYR 13 HD2 TYR 13 -15.253 -9.947 20.874 106 HE1 TYR 13 HE1 TYR 13 -10.619 -11.623 20.308 107 HE2 TYR 13 HE2 TYR 13 -14.851 -12.351 20.409 108 HH TYR 13 HH TYR 13 -13.236 -13.976 20.398 109 H GLY 14 HN GLY 14 -11.244 -8.736 24.097 110 1HA GLY 14 HA2 GLY 14 -8.971 -7.275 22.814 111 2HA GLY 14 HA1 GLY 14 -9.045 -7.553 24.554 112 H PHE 15 HN PHE 15 -7.282 -8.565 22.140 113 HA PHE 15 HA PHE 15 -7.272 -11.390 23.095 114 1HB PHE 15 HB2 PHE 15 -7.399 -12.211 20.983 115 2HB PHE 15 HB1 PHE 15 -8.033 -10.622 20.567 116 HD1 PHE 15 HD1 PHE 15 -4.996 -12.722 20.674 117 HD2 PHE 15 HD2 PHE 15 -6.733 -9.027 19.306 118 HE1 PHE 15 HE1 PHE 15 -3.024 -12.334 19.227 119 HE2 PHE 15 HE2 PHE 15 -4.739 -8.645 17.876 120 HZ PHE 15 HZ PHE 15 -2.896 -10.292 17.832 121 HA PRO 16 HA PRO 16 -3.068 -10.238 23.916 122 1HB PRO 16 HB2 PRO 16 -2.273 -12.693 24.867 123 2HB PRO 16 HB1 PRO 16 -3.222 -11.532 25.813 124 1HG PRO 16 HG2 PRO 16 -4.114 -14.064 24.521 125 2HG PRO 16 HG1 PRO 16 -4.797 -13.217 25.919 126 1HD PRO 16 HD2 PRO 16 -5.828 -13.170 23.275 127 2HD PRO 16 HD1 PRO 16 -6.314 -12.104 24.611 128 H VAL 17 HN VAL 17 -1.452 -10.133 22.435 129 HA VAL 17 HA VAL 17 -1.124 -12.393 20.500 130 HB VAL 17 HB VAL 17 -1.725 -10.187 19.512 131 1HG1 VAL 17 HG11 VAL 17 -0.771 -8.736 21.208 132 2HG1 VAL 17 HG12 VAL 17 0.012 -8.379 19.667 133 3HG1 VAL 17 HG13 VAL 17 0.849 -9.353 20.878 134 1HG2 VAL 17 HG21 VAL 17 -0.050 -10.208 17.809 135 2HG2 VAL 17 HG22 VAL 17 -0.122 -11.867 18.403 136 3HG2 VAL 17 HG23 VAL 17 1.177 -10.799 18.927 137 H GLU 18 HN GLU 18 1.033 -13.154 20.129 138 HA GLU 18 HA GLU 18 2.944 -12.346 22.273 139 1HB GLU 18 HB2 GLU 18 2.296 -14.792 21.958 140 2HB GLU 18 HB1 GLU 18 3.165 -14.733 20.422 141 1HG GLU 18 HG2 GLU 18 5.223 -14.567 21.431 142 2HG GLU 18 HG1 GLU 18 4.586 -13.685 22.820 143 H VAL 19 HN VAL 19 4.328 -10.753 21.569 144 HA VAL 19 HA VAL 19 5.591 -11.172 18.898 145 HB VAL 19 HB VAL 19 5.043 -9.116 18.040 146 1HG1 VAL 19 HG11 VAL 19 2.795 -9.002 18.163 147 2HG1 VAL 19 HG12 VAL 19 2.834 -8.597 19.876 148 3HG1 VAL 19 HG13 VAL 19 2.889 -10.279 19.367 149 1HG2 VAL 19 HG21 VAL 19 5.122 -8.174 20.912 150 2HG2 VAL 19 HG22 VAL 19 4.593 -7.129 19.593 151 3HG2 VAL 19 HG23 VAL 19 6.234 -7.774 19.602 152 H ASP 20 HN ASP 20 7.617 -9.973 18.673 153 HA ASP 20 HA ASP 20 8.986 -9.705 21.295 154 1HB ASP 20 HB2 ASP 20 11.042 -9.586 19.716 155 2HB ASP 20 HB1 ASP 20 10.219 -11.138 19.873 156 H SER 21 HN SER 21 10.790 -7.873 21.126 157 HA SER 21 HA SER 21 9.384 -5.367 20.858 158 1HB SER 21 HB2 SER 21 12.336 -5.967 21.150 159 2HB SER 21 HB1 SER 21 11.619 -4.368 21.317 160 HG SER 21 HG SER 21 11.928 -6.062 23.212 161 H ASP 22 HN ASP 22 10.548 -7.339 18.480 162 HA ASP 22 HA ASP 22 11.451 -5.123 16.728 163 1HB ASP 22 HB2 ASP 22 12.954 -6.641 16.040 164 2HB ASP 22 HB1 ASP 22 12.190 -7.888 17.026 165 H THR 23 HN THR 23 8.717 -7.245 17.220 166 HA THR 23 HA THR 23 7.633 -7.528 14.668 167 HB THR 23 HB THR 23 5.574 -6.547 16.458 168 HG1 THR 23 HG1 THR 23 7.116 -8.667 17.476 169 1HG2 THR 23 HG21 THR 23 4.653 -8.713 16.061 170 2HG2 THR 23 HG22 THR 23 6.234 -9.381 15.653 171 3HG2 THR 23 HG23 THR 23 5.451 -8.238 14.562 172 H SER 24 HN SER 24 7.204 -6.125 13.072 173 HA SER 24 HA SER 24 7.594 -3.313 13.340 174 1HB SER 24 HB2 SER 24 5.761 -4.280 11.198 175 2HB SER 24 HB1 SER 24 7.165 -3.220 11.077 176 HG SER 24 HG SER 24 8.139 -4.960 10.404 177 H ILE 25 HN ILE 25 4.982 -2.709 11.836 178 HA ILE 25 HA ILE 25 3.157 -2.805 14.195 179 HB ILE 25 HB ILE 25 3.790 -0.447 12.399 180 1HG1 ILE 25 HG12 ILE 25 5.421 -0.751 14.141 181 2HG1 ILE 25 HG11 ILE 25 4.367 0.577 14.629 182 1HG2 ILE 25 HG21 ILE 25 2.144 0.529 14.340 183 2HG2 ILE 25 HG22 ILE 25 1.427 -1.067 14.073 184 3HG2 ILE 25 HG23 ILE 25 1.610 0.064 12.724 185 1HD1 ILE 25 HD11 ILE 25 3.062 -1.650 15.640 186 2HD1 ILE 25 HD12 ILE 25 4.093 -0.562 16.564 187 3HD1 ILE 25 HD13 ILE 25 4.765 -2.045 15.891 188 H LEU 26 HN LEU 26 3.532 -2.758 10.660 189 HA LEU 26 HA LEU 26 0.620 -3.038 10.315 190 1HB LEU 26 HB2 LEU 26 1.633 -1.952 8.452 191 2HB LEU 26 HB1 LEU 26 2.974 -3.100 8.417 192 HG LEU 26 HG LEU 26 1.089 -3.374 6.673 193 1HD1 LEU 26 HD11 LEU 26 2.739 -5.180 8.138 194 2HD1 LEU 26 HD12 LEU 26 2.188 -5.321 6.461 195 3HD1 LEU 26 HD13 LEU 26 1.216 -6.000 7.770 196 1HD2 LEU 26 HD21 LEU 26 -0.512 -3.386 8.934 197 2HD2 LEU 26 HD22 LEU 26 -0.383 -5.100 8.548 198 3HD2 LEU 26 HD23 LEU 26 -1.000 -3.972 7.349 199 H GLN 27 HN GLN 27 3.624 -4.736 10.489 200 HA GLN 27 HA GLN 27 2.758 -7.401 9.912 201 1HB GLN 27 HB2 GLN 27 5.054 -5.991 10.983 202 2HB GLN 27 HB1 GLN 27 4.715 -7.406 11.999 203 1HG GLN 27 HG2 GLN 27 4.396 -8.265 9.314 204 2HG GLN 27 HG1 GLN 27 5.886 -7.319 9.354 205 1HE2 GLN 27 HE21 GLN 27 4.404 -9.452 11.860 206 2HE2 GLN 27 HE22 GLN 27 5.764 -10.454 12.021 207 H LEU 28 HN LEU 28 2.646 -5.199 12.597 208 HA LEU 28 HA LEU 28 1.607 -7.010 14.613 209 1HB LEU 28 HB2 LEU 28 2.707 -4.675 14.910 210 2HB LEU 28 HB1 LEU 28 1.153 -4.016 14.421 211 HG LEU 28 HG LEU 28 1.318 -4.131 16.864 212 1HD1 LEU 28 HD11 LEU 28 -0.771 -4.845 15.317 213 2HD1 LEU 28 HD12 LEU 28 -0.858 -4.784 17.079 214 3HD1 LEU 28 HD13 LEU 28 -0.582 -6.322 16.263 215 1HD2 LEU 28 HD21 LEU 28 1.137 -7.052 16.999 216 2HD2 LEU 28 HD22 LEU 28 2.161 -5.951 17.923 217 3HD2 LEU 28 HD23 LEU 28 2.671 -6.499 16.325 218 H LYS 29 HN LYS 29 0.258 -4.866 12.158 219 HA LYS 29 HA LYS 29 -2.510 -5.252 12.919 220 1HB LYS 29 HB2 LYS 29 -1.093 -4.132 10.510 221 2HB LYS 29 HB1 LYS 29 -2.829 -4.435 10.453 222 1HG LYS 29 HG2 LYS 29 -3.235 -2.553 11.600 223 2HG LYS 29 HG1 LYS 29 -2.168 -3.082 12.913 224 1HD LYS 29 HD2 LYS 29 -0.239 -2.267 11.522 225 2HD LYS 29 HD1 LYS 29 -1.390 -1.589 10.386 226 1HE LYS 29 HE2 LYS 29 -2.369 -0.366 12.461 227 2HE LYS 29 HE1 LYS 29 -0.847 -0.802 13.238 228 1HZ LYS 29 HZ1 LYS 29 -0.689 1.374 12.230 229 2HZ LYS 29 HZ2 LYS 29 -1.154 0.748 10.721 230 3HZ LYS 29 HZ3 LYS 29 0.330 0.293 11.410 231 H GLU 30 HN GLU 30 -0.190 -7.081 11.129 232 HA GLU 30 HA GLU 30 -2.108 -8.557 9.530 233 1HB GLU 30 HB2 GLU 30 0.818 -8.927 10.180 234 2HB GLU 30 HB1 GLU 30 -0.081 -10.124 9.245 235 1HG GLU 30 HG2 GLU 30 -0.294 -7.250 8.439 236 2HG GLU 30 HG1 GLU 30 1.185 -8.122 8.038 237 H VAL 31 HN VAL 31 -0.170 -9.327 12.440 238 HA VAL 31 HA VAL 31 -1.332 -11.925 12.882 239 HB VAL 31 HB VAL 31 0.212 -9.936 14.523 240 1HG1 VAL 31 HG11 VAL 31 0.032 -11.601 16.443 241 2HG1 VAL 31 HG12 VAL 31 -1.335 -12.316 15.589 242 3HG1 VAL 31 HG13 VAL 31 -1.418 -10.644 16.142 243 1HG2 VAL 31 HG21 VAL 31 0.846 -12.121 12.942 244 2HG2 VAL 31 HG22 VAL 31 0.879 -12.801 14.569 245 3HG2 VAL 31 HG23 VAL 31 1.898 -11.417 14.170 246 H VAL 32 HN VAL 32 -2.078 -8.716 14.253 247 HA VAL 32 HA VAL 32 -4.333 -9.598 15.809 248 HB VAL 32 HB VAL 32 -3.765 -6.901 14.516 249 1HG1 VAL 32 HG11 VAL 32 -5.699 -7.725 16.706 250 2HG1 VAL 32 HG12 VAL 32 -6.096 -7.034 15.127 251 3HG1 VAL 32 HG13 VAL 32 -5.273 -6.054 16.334 252 1HG2 VAL 32 HG21 VAL 32 -2.985 -6.343 16.859 253 2HG2 VAL 32 HG22 VAL 32 -1.961 -7.493 15.994 254 3HG2 VAL 32 HG23 VAL 32 -3.086 -8.064 17.229 255 H ALA 33 HN ALA 33 -3.833 -8.664 12.470 256 HA ALA 33 HA ALA 33 -6.603 -8.486 11.755 257 1HB ALA 33 HB1 ALA 33 -5.487 -9.133 9.403 258 2HB ALA 33 HB2 ALA 33 -4.004 -8.774 10.277 259 3HB ALA 33 HB3 ALA 33 -5.250 -7.538 10.111 260 H LYS 34 HN LYS 34 -4.335 -11.132 12.114 261 HA LYS 34 HA LYS 34 -5.759 -13.171 10.687 262 1HB LYS 34 HB2 LYS 34 -4.147 -13.661 13.207 263 2HB LYS 34 HB1 LYS 34 -4.335 -14.723 11.804 264 1HG LYS 34 HG2 LYS 34 -2.823 -12.146 12.002 265 2HG LYS 34 HG1 LYS 34 -2.166 -13.738 11.655 266 1HD LYS 34 HD2 LYS 34 -4.148 -12.296 9.869 267 2HD LYS 34 HD1 LYS 34 -2.403 -12.293 9.608 268 1HE LYS 34 HE2 LYS 34 -2.743 -14.935 9.830 269 2HE LYS 34 HE1 LYS 34 -4.367 -14.521 9.280 270 1HZ LYS 34 HZ1 LYS 34 -2.006 -14.686 7.774 271 2HZ LYS 34 HZ2 LYS 34 -2.550 -13.078 7.735 272 3HZ LYS 34 HZ3 LYS 34 -3.577 -14.336 7.237 273 H ARG 35 HN ARG 35 -5.645 -12.426 14.153 274 HA ARG 35 HA ARG 35 -7.744 -14.277 14.832 275 1HB ARG 35 HB2 ARG 35 -6.425 -11.986 16.276 276 2HB ARG 35 HB1 ARG 35 -7.786 -12.865 16.990 277 1HG ARG 35 HG2 ARG 35 -6.270 -14.371 17.712 278 2HG ARG 35 HG1 ARG 35 -6.125 -14.878 16.027 279 1HD ARG 35 HD2 ARG 35 -4.203 -13.620 15.666 280 2HD ARG 35 HD1 ARG 35 -4.584 -12.493 16.975 281 HE ARG 35 HE ARG 35 -3.725 -14.087 18.564 282 1HH1 ARG 35 HH21 ARG 35 -4.001 -15.442 15.413 283 2HH1 ARG 35 HH22 ARG 35 -2.767 -16.628 15.671 284 1HH2 ARG 35 HH11 ARG 35 -1.978 -15.511 18.855 285 2HH2 ARG 35 HH12 ARG 35 -1.616 -16.661 17.611 286 H GLN 36 HN GLN 36 -7.803 -11.004 13.643 287 HA GLN 36 HA GLN 36 -10.516 -10.477 14.613 288 1HB GLN 36 HB2 GLN 36 -8.392 -8.955 13.433 289 2HB GLN 36 HB1 GLN 36 -9.856 -8.722 12.477 290 1HG GLN 36 HG2 GLN 36 -10.253 -8.670 15.404 291 2HG GLN 36 HG1 GLN 36 -9.301 -7.334 14.758 292 1HE2 GLN 36 HE21 GLN 36 -12.171 -7.391 15.801 293 2HE2 GLN 36 HE22 GLN 36 -13.097 -6.734 14.539 294 H GLY 37 HN GLY 37 -9.165 -12.126 11.937 295 1HA GLY 37 HA2 GLY 37 -10.296 -13.278 10.203 296 2HA GLY 37 HA1 GLY 37 -11.822 -12.653 10.845 297 H VAL 38 HN VAL 38 -9.197 -10.501 10.273 298 HA VAL 38 HA VAL 38 -10.335 -9.563 7.681 299 HB VAL 38 HB VAL 38 -10.847 -7.451 8.460 300 1HG1 VAL 38 HG11 VAL 38 -12.279 -8.953 9.732 301 2HG1 VAL 38 HG12 VAL 38 -11.807 -7.607 10.770 302 3HG1 VAL 38 HG13 VAL 38 -11.020 -9.178 10.950 303 1HG2 VAL 38 HG21 VAL 38 -8.628 -7.970 10.438 304 2HG2 VAL 38 HG22 VAL 38 -9.727 -6.607 10.649 305 3HG2 VAL 38 HG23 VAL 38 -8.724 -6.715 9.202 306 HA PRO 39 HA PRO 39 -6.175 -8.852 6.632 307 1HB PRO 39 HB2 PRO 39 -6.517 -6.719 4.926 308 2HB PRO 39 HB1 PRO 39 -6.963 -8.386 4.526 309 1HG PRO 39 HG2 PRO 39 -8.737 -6.096 5.230 310 2HG PRO 39 HG1 PRO 39 -9.100 -7.544 4.281 311 1HD PRO 39 HD2 PRO 39 -9.830 -7.088 6.970 312 2HD PRO 39 HD1 PRO 39 -9.931 -8.630 6.095 313 H ALA 40 HN ALA 40 -4.384 -7.675 7.311 314 HA ALA 40 HA ALA 40 -4.490 -5.845 9.449 315 1HB ALA 40 HB1 ALA 40 -2.265 -5.564 7.504 316 2HB ALA 40 HB2 ALA 40 -2.502 -7.151 8.254 317 3HB ALA 40 HB3 ALA 40 -2.216 -5.731 9.263 318 H ASP 41 HN ASP 41 -4.960 -5.272 6.062 319 HA ASP 41 HA ASP 41 -4.280 -2.512 5.965 320 1HB ASP 41 HB2 ASP 41 -5.244 -4.322 4.144 321 2HB ASP 41 HB1 ASP 41 -6.660 -3.302 4.397 322 H GLN 42 HN GLN 42 -7.508 -3.999 6.389 323 HA GLN 42 HA GLN 42 -8.852 -1.577 7.157 324 1HB GLN 42 HB2 GLN 42 -9.407 -4.473 7.135 325 2HB GLN 42 HB1 GLN 42 -10.217 -3.606 8.438 326 1HG GLN 42 HG2 GLN 42 -10.994 -1.933 6.674 327 2HG GLN 42 HG1 GLN 42 -10.409 -3.074 5.462 328 1HE2 GLN 42 HE21 GLN 42 -13.253 -2.274 6.037 329 2HE2 GLN 42 HE22 GLN 42 -14.064 -3.718 6.406 330 H LEU 43 HN LEU 43 -7.398 -4.219 8.950 331 HA LEU 43 HA LEU 43 -7.948 -3.291 11.603 332 1HB LEU 43 HB2 LEU 43 -6.978 -5.553 10.446 333 2HB LEU 43 HB1 LEU 43 -5.492 -4.853 11.083 334 HG LEU 43 HG LEU 43 -6.895 -4.533 13.262 335 1HD1 LEU 43 HD11 LEU 43 -8.317 -6.903 12.017 336 2HD1 LEU 43 HD12 LEU 43 -9.016 -5.284 12.034 337 3HD1 LEU 43 HD13 LEU 43 -8.689 -6.125 13.558 338 1HD2 LEU 43 HD21 LEU 43 -5.301 -6.044 13.768 339 2HD2 LEU 43 HD22 LEU 43 -5.290 -6.648 12.108 340 3HD2 LEU 43 HD23 LEU 43 -6.435 -7.307 13.285 341 H ARG 44 HN ARG 44 -6.654 -2.002 13.005 342 HA ARG 44 HA ARG 44 -3.971 -1.270 12.132 343 1HB ARG 44 HB2 ARG 44 -6.144 0.482 11.507 344 2HB ARG 44 HB1 ARG 44 -5.017 1.270 12.624 345 1HG ARG 44 HG2 ARG 44 -3.511 1.503 10.963 346 2HG ARG 44 HG1 ARG 44 -3.490 -0.258 10.746 347 1HD ARG 44 HD2 ARG 44 -4.440 0.079 8.738 348 2HD ARG 44 HD1 ARG 44 -5.901 0.578 9.590 349 HE ARG 44 HE ARG 44 -3.957 2.735 9.305 350 1HH1 ARG 44 HH11 ARG 44 -6.186 0.834 7.522 351 2HH1 ARG 44 HH12 ARG 44 -6.806 2.168 6.609 352 1HH2 ARG 44 HH21 ARG 44 -4.912 4.538 8.286 353 2HH2 ARG 44 HH22 ARG 44 -6.083 4.265 7.038 354 H VAL 45 HN VAL 45 -2.790 -1.451 13.824 355 HA VAL 45 HA VAL 45 -3.899 -1.126 16.519 356 HB VAL 45 HB VAL 45 -1.023 -1.785 15.961 357 1HG1 VAL 45 HG11 VAL 45 -2.630 -1.733 18.186 358 2HG1 VAL 45 HG12 VAL 45 -1.157 -2.691 18.043 359 3HG1 VAL 45 HG13 VAL 45 -2.728 -3.431 17.725 360 1HG2 VAL 45 HG21 VAL 45 -1.610 -3.413 14.529 361 2HG2 VAL 45 HG22 VAL 45 -3.332 -3.155 14.807 362 3HG2 VAL 45 HG23 VAL 45 -2.418 -4.208 15.880 363 H ILE 46 HN ILE 46 -3.609 0.659 17.700 364 HA ILE 46 HA ILE 46 -1.282 2.423 17.108 365 HB ILE 46 HB ILE 46 -4.097 3.359 17.759 366 1HG1 ILE 46 HG12 ILE 46 -2.837 4.102 15.193 367 2HG1 ILE 46 HG11 ILE 46 -3.175 2.371 15.339 368 1HG2 ILE 46 HG21 ILE 46 -2.222 4.803 18.594 369 2HG2 ILE 46 HG22 ILE 46 -3.194 5.592 17.352 370 3HG2 ILE 46 HG23 ILE 46 -1.619 4.914 16.942 371 1HD1 ILE 46 HD11 ILE 46 -5.379 4.017 16.340 372 2HD1 ILE 46 HD12 ILE 46 -5.405 2.710 15.154 373 3HD1 ILE 46 HD13 ILE 46 -5.017 4.355 14.647 374 H PHE 47 HN PHE 47 -0.057 2.491 18.924 375 HA PHE 47 HA PHE 47 -1.146 1.495 21.466 376 1HB PHE 47 HB2 PHE 47 0.950 0.682 21.125 377 2HB PHE 47 HB1 PHE 47 1.532 2.171 20.369 378 HD1 PHE 47 HD1 PHE 47 0.908 0.402 23.469 379 HD2 PHE 47 HD2 PHE 47 2.034 4.166 21.748 380 HE1 PHE 47 HE1 PHE 47 1.811 1.132 25.676 381 HE2 PHE 47 HE2 PHE 47 2.943 4.906 23.947 382 HZ PHE 47 HZ PHE 47 2.828 3.387 25.908 383 H ALA 48 HN ALA 48 -1.846 2.701 23.083 384 HA ALA 48 HA ALA 48 -2.265 4.525 24.476 385 1HB ALA 48 HB1 ALA 48 0.304 5.739 23.507 386 2HB ALA 48 HB2 ALA 48 0.315 4.297 24.524 387 3HB ALA 48 HB3 ALA 48 -0.404 5.791 25.123 388 H GLY 49 HN GLY 49 -2.486 4.770 21.277 389 1HA GLY 49 HA2 GLY 49 -3.959 6.370 20.230 390 2HA GLY 49 HA1 GLY 49 -3.533 7.533 21.482 391 H LYS 50 HN LYS 50 -0.698 6.034 20.367 392 HA LYS 50 HA LYS 50 -0.140 8.454 18.741 393 1HB LYS 50 HB2 LYS 50 1.595 6.355 20.045 394 2HB LYS 50 HB1 LYS 50 2.246 7.431 18.809 395 1HG LYS 50 HG2 LYS 50 2.702 8.609 20.782 396 2HG LYS 50 HG1 LYS 50 1.180 9.330 20.257 397 1HD LYS 50 HD2 LYS 50 0.009 8.439 21.996 398 2HD LYS 50 HD1 LYS 50 0.900 6.917 21.946 399 1HE LYS 50 HE2 LYS 50 2.251 9.434 22.896 400 2HE LYS 50 HE1 LYS 50 1.239 8.498 23.996 401 1HZ LYS 50 HZ1 LYS 50 3.217 7.464 24.322 402 2HZ LYS 50 HZ2 LYS 50 3.792 7.793 22.758 403 3HZ LYS 50 HZ3 LYS 50 2.669 6.543 23.008 404 H GLU 51 HN GLU 51 -0.395 8.281 16.581 405 HA GLU 51 HA GLU 51 -0.878 5.767 15.268 406 1HB GLU 51 HB2 GLU 51 -1.512 8.228 14.553 407 2HB GLU 51 HB1 GLU 51 0.064 8.193 13.763 408 1HG GLU 51 HG2 GLU 51 -0.930 5.782 12.992 409 2HG GLU 51 HG1 GLU 51 -2.415 6.727 13.086 410 H LEU 52 HN LEU 52 0.747 4.264 15.136 411 HA LEU 52 HA LEU 52 3.526 5.213 14.774 412 1HB LEU 52 HB2 LEU 52 2.831 2.306 14.874 413 2HB LEU 52 HB1 LEU 52 4.224 3.147 15.554 414 HG LEU 52 HG LEU 52 1.386 3.177 16.598 415 1HD1 LEU 52 HD11 LEU 52 4.024 2.099 17.604 416 2HD1 LEU 52 HD12 LEU 52 2.522 1.214 17.337 417 3HD1 LEU 52 HD13 LEU 52 2.647 2.356 18.676 418 1HD2 LEU 52 HD21 LEU 52 3.825 4.775 17.430 419 2HD2 LEU 52 HD22 LEU 52 2.359 4.640 18.403 420 3HD2 LEU 52 HD23 LEU 52 2.302 5.418 16.823 421 HA PRO 53 HA PRO 53 3.452 4.306 10.479 422 1HB PRO 53 HB2 PRO 53 6.173 4.154 10.097 423 2HB PRO 53 HB1 PRO 53 5.293 5.683 10.281 424 1HG PRO 53 HG2 PRO 53 7.038 4.277 12.238 425 2HG PRO 53 HG1 PRO 53 6.672 6.002 12.106 426 1HD PRO 53 HD2 PRO 53 5.541 4.211 13.982 427 2HD PRO 53 HD1 PRO 53 4.937 5.838 13.602 428 H ASN 54 HN ASN 54 3.493 2.424 9.231 429 HA ASN 54 HA ASN 54 3.676 -0.084 10.579 430 1HB ASN 54 HB2 ASN 54 3.851 0.352 7.588 431 2HB ASN 54 HB1 ASN 54 3.247 -1.072 8.433 432 1HD2 ASN 54 HD21 ASN 54 1.451 -0.002 6.676 433 2HD2 ASN 54 HD22 ASN 54 0.242 0.876 7.482 434 H HIS 55 HN HIS 55 6.223 1.888 9.527 435 HA HIS 55 HA HIS 55 7.954 -0.472 8.953 436 1HB HIS 55 HB2 HIS 55 9.479 1.016 7.885 437 2HB HIS 55 HB1 HIS 55 7.875 1.528 7.363 438 HD1 HIS 55 HD1 HIS 55 7.399 3.960 7.661 439 HD2 HIS 55 HD2 HIS 55 10.357 2.651 10.292 440 HE1 HIS 55 HE1 HIS 55 8.203 6.010 8.913 441 H LEU 56 HN LEU 56 7.122 1.320 11.620 442 HA LEU 56 HA LEU 56 9.869 1.461 12.717 443 1HB LEU 56 HB2 LEU 56 7.182 2.447 13.578 444 2HB LEU 56 HB1 LEU 56 8.396 2.151 14.825 445 HG LEU 56 HG LEU 56 8.795 3.886 12.368 446 1HD1 LEU 56 HD11 LEU 56 7.334 4.548 14.556 447 2HD1 LEU 56 HD12 LEU 56 8.297 5.718 13.653 448 3HD1 LEU 56 HD13 LEU 56 8.946 4.988 15.121 449 1HD2 LEU 56 HD21 LEU 56 10.726 4.382 14.368 450 2HD2 LEU 56 HD22 LEU 56 10.987 3.636 12.792 451 3HD2 LEU 56 HD23 LEU 56 10.637 2.628 14.197 452 H THR 57 HN THR 57 10.290 0.403 14.862 453 HA THR 57 HA THR 57 9.241 -2.348 14.769 454 HB THR 57 HB THR 57 11.042 -2.331 16.817 455 HG1 THR 57 HG1 THR 57 12.698 -0.951 16.173 456 1HG2 THR 57 HG21 THR 57 12.310 -2.454 14.183 457 2HG2 THR 57 HG22 THR 57 10.791 -3.349 14.255 458 3HG2 THR 57 HG23 THR 57 12.095 -3.728 15.384 459 H VAL 58 HN VAL 58 8.894 -3.413 16.971 460 HA VAL 58 HA VAL 58 6.655 -2.205 18.237 461 HB VAL 58 HB VAL 58 8.435 -4.549 18.894 462 1HG1 VAL 58 HG11 VAL 58 6.718 -5.028 20.726 463 2HG1 VAL 58 HG12 VAL 58 6.227 -3.339 20.583 464 3HG1 VAL 58 HG13 VAL 58 7.872 -3.743 21.079 465 1HG2 VAL 58 HG21 VAL 58 6.913 -5.483 17.515 466 2HG2 VAL 58 HG22 VAL 58 5.927 -4.014 17.506 467 3HG2 VAL 58 HG23 VAL 58 5.708 -5.222 18.779 468 H GLN 59 HN GLN 59 10.073 -2.334 19.215 469 HA GLN 59 HA GLN 59 9.494 -0.840 21.695 470 1HB GLN 59 HB2 GLN 59 11.608 -2.465 20.649 471 2HB GLN 59 HB1 GLN 59 12.264 -0.902 21.129 472 1HG GLN 59 HG2 GLN 59 11.210 -1.126 23.346 473 2HG GLN 59 HG1 GLN 59 10.536 -2.684 22.872 474 1HE2 GLN 59 HE21 GLN 59 13.809 -1.553 22.013 475 2HE2 GLN 59 HE22 GLN 59 14.631 -2.729 22.921 476 H ASN 60 HN ASN 60 9.224 0.231 18.808 477 HA ASN 60 HA ASN 60 11.185 2.440 18.839 478 1HB ASN 60 HB2 ASN 60 9.662 1.122 16.813 479 2HB ASN 60 HB1 ASN 60 9.225 2.832 16.800 480 1HD2 ASN 60 HD21 ASN 60 11.006 4.414 16.508 481 2HD2 ASN 60 HD22 ASN 60 12.467 3.929 15.792 482 H CYS 61 HN CYS 61 7.620 2.333 18.509 483 HA CYS 61 HA CYS 61 7.322 5.084 19.341 484 1HB CYS 61 HB2 CYS 61 5.593 4.002 17.980 485 2HB CYS 61 HB1 CYS 61 5.307 2.815 19.253 486 HG CYS 61 HG CYS 61 4.868 5.820 19.938 487 H ASP 62 HN ASP 62 7.920 2.177 20.963 488 HA ASP 62 HA ASP 62 8.558 2.124 23.294 489 1HB ASP 62 HB2 ASP 62 7.839 4.614 23.454 490 2HB ASP 62 HB1 ASP 62 6.261 3.973 23.916 491 H LEU 63 HN LEU 63 6.704 0.644 21.537 492 HA LEU 63 HA LEU 63 4.329 -0.004 23.122 493 1HB LEU 63 HB2 LEU 63 5.699 -1.595 20.958 494 2HB LEU 63 HB1 LEU 63 4.081 -1.885 21.595 495 HG LEU 63 HG LEU 63 4.384 0.890 20.903 496 1HD1 LEU 63 HD11 LEU 63 5.500 0.798 18.976 497 2HD1 LEU 63 HD12 LEU 63 4.346 -0.382 18.358 498 3HD1 LEU 63 HD13 LEU 63 5.778 -0.923 19.231 499 1HD2 LEU 63 HD21 LEU 63 2.319 0.485 19.790 500 2HD2 LEU 63 HD22 LEU 63 2.327 -0.586 21.194 501 3HD2 LEU 63 HD23 LEU 63 2.679 -1.230 19.587 502 H GLU 64 HN GLU 64 7.266 -1.876 22.319 503 HA GLU 64 HA GLU 64 8.445 -3.493 23.565 504 1HB GLU 64 HB2 GLU 64 7.290 -1.668 25.647 505 2HB GLU 64 HB1 GLU 64 8.003 -3.191 26.173 506 1HG GLU 64 HG2 GLU 64 9.598 -1.628 24.221 507 2HG GLU 64 HG1 GLU 64 9.444 -0.924 25.832 508 H GLN 65 HN GLN 65 8.040 -5.572 24.600 509 HA GLN 65 HA GLN 65 5.566 -6.783 24.060 510 1HB GLN 65 HB2 GLN 65 6.202 -8.467 25.801 511 2HB GLN 65 HB1 GLN 65 7.516 -8.135 24.672 512 1HG GLN 65 HG2 GLN 65 8.171 -6.288 26.416 513 2HG GLN 65 HG1 GLN 65 7.213 -7.262 27.530 514 1HE2 GLN 65 HE21 GLN 65 9.453 -8.196 24.855 515 2HE2 GLN 65 HE22 GLN 65 10.422 -9.198 25.824 516 H GLN 66 HN GLN 66 3.590 -6.843 25.231 517 HA GLN 66 HA GLN 66 2.053 -6.237 26.926 518 1HB GLN 66 HB2 GLN 66 4.127 -6.706 28.479 519 2HB GLN 66 HB1 GLN 66 4.300 -4.952 28.490 520 1HG GLN 66 HG2 GLN 66 2.909 -5.814 30.388 521 2HG GLN 66 HG1 GLN 66 2.043 -4.683 29.348 522 1HE2 GLN 66 HE21 GLN 66 2.614 -8.243 29.615 523 2HE2 GLN 66 HE22 GLN 66 1.049 -8.674 29.121 524 H SER 67 HN SER 67 0.976 -4.602 25.887 525 HA SER 67 HA SER 67 1.651 -1.819 26.304 526 1HB SER 67 HB2 SER 67 2.866 -1.407 24.441 527 2HB SER 67 HB1 SER 67 2.944 -3.148 24.179 528 HG SER 67 HG SER 67 0.880 -1.403 23.307 529 H ILE 68 HN ILE 68 -0.350 -0.808 26.209 530 HA ILE 68 HA ILE 68 -2.532 -2.463 25.206 531 HB ILE 68 HB ILE 68 -2.188 -0.098 26.933 532 1HG1 ILE 68 HG12 ILE 68 -3.842 -1.177 28.237 533 2HG1 ILE 68 HG11 ILE 68 -4.453 -2.079 26.856 534 1HG2 ILE 68 HG21 ILE 68 -3.467 0.880 25.079 535 2HG2 ILE 68 HG22 ILE 68 -4.466 0.727 26.526 536 3HG2 ILE 68 HG23 ILE 68 -4.641 -0.431 25.204 537 1HD1 ILE 68 HD11 ILE 68 -2.260 -2.732 28.676 538 2HD1 ILE 68 HD12 ILE 68 -1.764 -2.853 26.988 539 3HD1 ILE 68 HD13 ILE 68 -3.148 -3.780 27.576 540 H VAL 69 HN VAL 69 -2.974 -2.417 23.135 541 HA VAL 69 HA VAL 69 -2.375 0.032 21.561 542 HB VAL 69 HB VAL 69 -2.877 -2.200 19.863 543 1HG1 VAL 69 HG11 VAL 69 -1.369 -0.611 19.076 544 2HG1 VAL 69 HG12 VAL 69 -0.265 -1.881 19.604 545 3HG1 VAL 69 HG13 VAL 69 -0.548 -0.474 20.630 546 1HG2 VAL 69 HG21 VAL 69 -2.447 -3.793 21.545 547 2HG2 VAL 69 HG22 VAL 69 -1.160 -2.823 22.267 548 3HG2 VAL 69 HG23 VAL 69 -0.902 -3.621 20.716 549 H HIS 70 HN HIS 70 -3.979 0.366 19.720 550 HA HIS 70 HA HIS 70 -6.683 -0.654 20.454 551 1HB HIS 70 HB2 HIS 70 -5.897 2.132 19.543 552 2HB HIS 70 HB1 HIS 70 -7.562 1.563 19.662 553 HD1 HIS 70 HD1 HIS 70 -4.824 2.970 21.669 554 HD2 HIS 70 HD2 HIS 70 -8.304 0.800 22.428 555 HE1 HIS 70 HE1 HIS 70 -5.288 3.201 24.149 556 H ILE 71 HN ILE 71 -7.081 -2.103 18.829 557 HA ILE 71 HA ILE 71 -6.108 -1.659 16.128 558 HB ILE 71 HB ILE 71 -6.444 -3.855 15.852 559 1HG1 ILE 71 HG12 ILE 71 -8.684 -4.801 16.977 560 2HG1 ILE 71 HG11 ILE 71 -9.155 -3.146 16.664 561 1HG2 ILE 71 HG21 ILE 71 -7.353 -4.377 18.575 562 2HG2 ILE 71 HG22 ILE 71 -5.866 -3.438 18.440 563 3HG2 ILE 71 HG23 ILE 71 -5.986 -5.019 17.683 564 1HD1 ILE 71 HD11 ILE 71 -9.603 -4.513 14.682 565 2HD1 ILE 71 HD12 ILE 71 -7.919 -5.055 14.691 566 3HD1 ILE 71 HD13 ILE 71 -8.298 -3.365 14.353 567 H VAL 72 HN VAL 72 -7.335 -1.003 14.363 568 HA VAL 72 HA VAL 72 -10.199 -0.395 14.903 569 HB VAL 72 HB VAL 72 -8.853 1.673 15.225 570 1HG1 VAL 72 HG11 VAL 72 -7.382 0.678 13.082 571 2HG1 VAL 72 HG12 VAL 72 -7.221 2.285 13.788 572 3HG1 VAL 72 HG13 VAL 72 -8.263 2.038 12.387 573 1HG2 VAL 72 HG21 VAL 72 -11.093 1.278 13.488 574 2HG2 VAL 72 HG22 VAL 72 -10.085 2.550 12.799 575 3HG2 VAL 72 HG23 VAL 72 -10.696 2.705 14.446 576 H GLN 73 HN GLN 73 -11.458 -1.183 13.319 577 HA GLN 73 HA GLN 73 -10.257 -1.596 10.612 578 1HB GLN 73 HB2 GLN 73 -10.572 -3.766 11.677 579 2HB GLN 73 HB1 GLN 73 -12.232 -3.350 12.103 580 1HG GLN 73 HG2 GLN 73 -11.900 -2.910 9.296 581 2HG GLN 73 HG1 GLN 73 -11.280 -4.517 9.677 582 1HE2 GLN 73 HE21 GLN 73 -14.189 -2.485 9.779 583 2HE2 GLN 73 HE22 GLN 73 -15.280 -3.756 10.045 584 H ARG 74 HN ARG 74 -11.221 -0.068 9.299 585 HA ARG 74 HA ARG 74 -13.465 1.479 9.699 586 1HB ARG 74 HB2 ARG 74 -12.995 0.165 7.014 587 2HB ARG 74 HB1 ARG 74 -13.646 1.771 7.336 588 1HG ARG 74 HG2 ARG 74 -11.099 1.637 8.598 589 2HG ARG 74 HG1 ARG 74 -10.907 1.001 6.964 590 1HD ARG 74 HD2 ARG 74 -12.208 3.647 7.675 591 2HD ARG 74 HD1 ARG 74 -10.588 3.452 7.006 592 HE ARG 74 HE ARG 74 -12.606 2.194 5.341 593 1HH1 ARG 74 HH11 ARG 74 -12.611 5.338 6.326 594 2HH1 ARG 74 HH12 ARG 74 -12.258 6.039 4.781 595 1HH2 ARG 74 HH21 ARG 74 -11.480 3.008 3.287 596 2HH2 ARG 74 HH22 ARG 74 -11.614 4.720 3.062 597 HA PRO 75 HA PRO 75 -16.325 -2.007 10.047 598 1HB PRO 75 HB2 PRO 75 -17.953 -0.784 11.874 599 2HB PRO 75 HB1 PRO 75 -16.473 -1.677 12.298 600 1HG PRO 75 HG2 PRO 75 -16.942 1.244 12.288 601 2HG PRO 75 HG1 PRO 75 -15.726 0.308 13.161 602 1HD PRO 75 HD2 PRO 75 -15.326 1.838 10.777 603 2HD PRO 75 HD1 PRO 75 -14.150 0.772 11.569 604 H ARG 76 HN ARG 76 -17.945 -2.242 8.533 605 HA ARG 76 HA ARG 76 -19.269 0.021 7.311 606 1HB ARG 76 HB2 ARG 76 -20.545 -2.704 7.427 607 2HB ARG 76 HB1 ARG 76 -20.482 -1.567 6.079 608 1HG ARG 76 HG2 ARG 76 -17.879 -2.017 6.241 609 2HG ARG 76 HG1 ARG 76 -18.403 -3.512 7.016 610 1HD ARG 76 HD2 ARG 76 -18.208 -3.945 4.644 611 2HD ARG 76 HD1 ARG 76 -19.926 -3.908 5.044 612 HE ARG 76 HE ARG 76 -19.864 -2.331 3.249 613 1HH1 ARG 76 HH21 ARG 76 -16.776 -1.971 3.843 614 2HH1 ARG 76 HH22 ARG 76 -16.744 -0.259 4.100 615 1HH2 ARG 76 HH11 ARG 76 -20.188 0.031 4.380 616 2HH2 ARG 76 HH12 ARG 76 -18.675 0.873 4.415 617 H ARG 77 HN ARG 77 -21.817 0.249 7.675 618 HA ARG 77 HA ARG 77 -22.248 0.864 10.397 619 1HB ARG 77 HB2 ARG 77 -23.756 1.020 8.034 620 2HB ARG 77 HB1 ARG 77 -24.721 0.015 9.117 621 1HG ARG 77 HG2 ARG 77 -25.431 2.040 9.907 622 2HG ARG 77 HG1 ARG 77 -23.941 1.949 10.848 623 1HD ARG 77 HD2 ARG 77 -23.789 3.065 8.078 624 2HD ARG 77 HD1 ARG 77 -24.483 4.077 9.343 625 HE ARG 77 HE ARG 77 -21.676 3.343 9.089 626 1HH1 ARG 77 HH11 ARG 77 -23.435 5.707 10.369 627 2HH1 ARG 77 HH12 ARG 77 -22.761 5.687 11.964 628 1HH2 ARG 77 HH21 ARG 77 -21.130 2.657 11.521 629 2HH2 ARG 77 HH22 ARG 77 -21.442 3.967 12.611 630 H ARG 78 HN ARG 78 -21.553 -0.863 11.741 631 HA ARG 78 HA ARG 78 -21.714 -2.942 12.829 632 1HB ARG 78 HB2 ARG 78 -23.881 -1.922 13.485 633 2HB ARG 78 HB1 ARG 78 -24.628 -2.623 12.049 634 1HG ARG 78 HG2 ARG 78 -24.926 -3.961 14.191 635 2HG ARG 78 HG1 ARG 78 -24.248 -4.856 12.831 636 1HD ARG 78 HD2 ARG 78 -22.060 -4.796 13.733 637 2HD ARG 78 HD1 ARG 78 -22.468 -3.495 14.852 638 HE ARG 78 HE ARG 78 -23.876 -5.186 16.082 639 1HH1 ARG 78 HH11 ARG 78 -20.749 -5.789 15.384 640 2HH1 ARG 78 HH12 ARG 78 -20.838 -7.519 15.430 641 1HH2 ARG 78 HH21 ARG 78 -24.304 -7.603 15.496 642 2HH2 ARG 78 HH22 ARG 78 -22.850 -8.545 15.501 Start of MODEL 2 1 1H MET 1 HT1 MET 1 10.858 -15.563 22.707 2 2H MET 1 HT2 MET 1 9.335 -14.820 22.579 3 3H MET 1 HT3 MET 1 9.601 -16.018 23.752 4 HA MET 1 HA MET 1 10.485 -14.599 25.204 5 1HB MET 1 HB2 MET 1 12.599 -14.315 24.278 6 2HB MET 1 HB1 MET 1 11.961 -13.679 22.761 7 1HG MET 1 HG2 MET 1 11.642 -11.545 23.629 8 2HG MET 1 HG1 MET 1 11.503 -12.130 25.287 9 1HE MET 1 HE1 MET 1 12.669 -10.287 25.965 10 2HE MET 1 HE2 MET 1 13.603 -9.530 24.677 11 3HE MET 1 HE3 MET 1 14.428 -10.149 26.106 12 H GLY 2 HN GLY 2 9.597 -12.858 22.199 13 1HA GLY 2 HA2 GLY 2 8.714 -10.443 23.209 14 2HA GLY 2 HA1 GLY 2 7.874 -11.270 21.894 15 H MET 3 HN MET 3 7.641 -10.229 25.110 16 HA MET 3 HA MET 3 5.717 -12.136 26.078 17 1HB MET 3 HB2 MET 3 6.415 -10.998 27.910 18 2HB MET 3 HB1 MET 3 6.870 -9.586 26.976 19 1HG MET 3 HG2 MET 3 5.143 -8.684 28.209 20 2HG MET 3 HG1 MET 3 4.198 -9.278 26.854 21 1HE MET 3 HE1 MET 3 5.883 -10.931 30.150 22 2HE MET 3 HE2 MET 3 4.440 -10.725 31.139 23 3HE MET 3 HE3 MET 3 5.170 -9.326 30.358 24 H ILE 4 HN ILE 4 3.398 -11.483 26.508 25 HA ILE 4 HA ILE 4 2.123 -10.872 24.010 26 HB ILE 4 HB ILE 4 1.356 -11.788 26.630 27 1HG1 ILE 4 HG12 ILE 4 -0.682 -12.511 25.195 28 2HG1 ILE 4 HG11 ILE 4 0.206 -11.826 23.834 29 1HG2 ILE 4 HG21 ILE 4 -0.377 -9.673 25.320 30 2HG2 ILE 4 HG22 ILE 4 0.438 -9.512 26.881 31 3HG2 ILE 4 HG23 ILE 4 -0.873 -10.682 26.679 32 1HD1 ILE 4 HD11 ILE 4 1.606 -13.737 25.674 33 2HD1 ILE 4 HD12 ILE 4 1.903 -13.414 23.966 34 3HD1 ILE 4 HD13 ILE 4 0.505 -14.371 24.453 35 H VAL 5 HN VAL 5 1.041 -9.080 23.340 36 HA VAL 5 HA VAL 5 1.338 -6.590 24.953 37 HB VAL 5 HB VAL 5 0.503 -6.451 22.105 38 1HG1 VAL 5 HG11 VAL 5 1.090 -4.309 22.458 39 2HG1 VAL 5 HG12 VAL 5 2.730 -4.796 22.886 40 3HG1 VAL 5 HG13 VAL 5 1.478 -4.731 24.125 41 1HG2 VAL 5 HG21 VAL 5 2.246 -7.694 21.345 42 2HG2 VAL 5 HG22 VAL 5 2.971 -7.789 22.950 43 3HG2 VAL 5 HG23 VAL 5 3.282 -6.389 21.922 44 H PHE 6 HN PHE 6 -0.717 -5.182 24.765 45 HA PHE 6 HA PHE 6 -3.025 -7.040 24.765 46 1HB PHE 6 HB2 PHE 6 -2.461 -5.389 26.686 47 2HB PHE 6 HB1 PHE 6 -3.141 -4.165 25.617 48 HD1 PHE 6 HD1 PHE 6 -4.127 -7.750 26.067 49 HD2 PHE 6 HD2 PHE 6 -5.233 -3.616 26.533 50 HE1 PHE 6 HE1 PHE 6 -6.418 -8.434 26.725 51 HE2 PHE 6 HE2 PHE 6 -7.525 -4.308 27.189 52 HZ PHE 6 HZ PHE 6 -8.115 -6.716 27.286 53 H VAL 7 HN VAL 7 -4.185 -7.139 22.957 54 HA VAL 7 HA VAL 7 -4.198 -4.775 21.129 55 HB VAL 7 HB VAL 7 -4.613 -7.740 20.725 56 1HG1 VAL 7 HG11 VAL 7 -6.467 -6.306 19.617 57 2HG1 VAL 7 HG12 VAL 7 -5.566 -7.403 18.574 58 3HG1 VAL 7 HG13 VAL 7 -5.179 -5.685 18.584 59 1HG2 VAL 7 HG21 VAL 7 -2.815 -7.525 19.184 60 2HG2 VAL 7 HG22 VAL 7 -2.345 -6.521 20.560 61 3HG2 VAL 7 HG23 VAL 7 -2.995 -5.773 19.097 62 H ARG 8 HN ARG 8 -6.043 -3.504 21.523 63 HA ARG 8 HA ARG 8 -8.369 -4.839 22.673 64 1HB ARG 8 HB2 ARG 8 -7.642 -2.019 22.013 65 2HB ARG 8 HB1 ARG 8 -9.360 -2.420 22.124 66 1HG ARG 8 HG2 ARG 8 -9.035 -2.040 24.357 67 2HG ARG 8 HG1 ARG 8 -8.426 -3.696 24.335 68 1HD ARG 8 HD2 ARG 8 -6.656 -2.581 25.373 69 2HD ARG 8 HD1 ARG 8 -6.148 -2.540 23.684 70 HE ARG 8 HE ARG 8 -6.183 -0.202 23.982 71 1HH1 ARG 8 HH11 ARG 8 -8.104 -1.498 26.430 72 2HH1 ARG 8 HH12 ARG 8 -9.155 -0.128 26.568 73 1HH2 ARG 8 HH21 ARG 8 -7.842 1.492 23.797 74 2HH2 ARG 8 HH22 ARG 8 -9.005 1.566 25.078 75 H PHE 9 HN PHE 9 -9.249 -6.225 21.293 76 HA PHE 9 HA PHE 9 -9.536 -5.709 18.457 77 1HB PHE 9 HB2 PHE 9 -9.689 -7.927 20.273 78 2HB PHE 9 HB1 PHE 9 -11.102 -7.915 19.228 79 HD1 PHE 9 HD1 PHE 9 -8.871 -6.373 17.036 80 HD2 PHE 9 HD2 PHE 9 -9.392 -10.151 19.097 81 HE1 PHE 9 HE1 PHE 9 -7.661 -7.512 15.301 82 HE2 PHE 9 HE2 PHE 9 -8.085 -11.267 17.314 83 HZ PHE 9 HZ PHE 9 -7.236 -9.946 15.415 84 H ASN 10 HN ASN 10 -11.326 -5.037 17.379 85 HA ASN 10 HA ASN 10 -13.463 -4.203 17.000 86 1HB ASN 10 HB2 ASN 10 -14.017 -6.545 17.805 87 2HB ASN 10 HB1 ASN 10 -14.323 -5.847 19.391 88 1HD2 ASN 10 HD21 ASN 10 -16.237 -7.063 17.324 89 2HD2 ASN 10 HD22 ASN 10 -17.422 -5.868 17.095 90 H SER 11 HN SER 11 -14.181 -4.463 20.459 91 HA SER 11 HA SER 11 -13.844 -1.502 20.628 92 1HB SER 11 HB2 SER 11 -16.184 -3.218 21.435 93 2HB SER 11 HB1 SER 11 -15.906 -1.650 22.188 94 HG SER 11 HG SER 11 -15.710 -0.935 19.867 95 H SER 12 HN SER 12 -14.818 -4.066 22.944 96 HA SER 12 HA SER 12 -12.583 -3.103 24.676 97 1HB SER 12 HB2 SER 12 -15.353 -3.265 25.224 98 2HB SER 12 HB1 SER 12 -14.581 -4.537 26.165 99 HG SER 12 HG SER 12 -13.313 -2.065 26.094 100 H TYR 13 HN TYR 13 -13.752 -5.737 22.925 101 HA TYR 13 HA TYR 13 -12.715 -7.840 24.661 102 1HB TYR 13 HB2 TYR 13 -14.468 -8.406 23.074 103 2HB TYR 13 HB1 TYR 13 -13.478 -7.844 21.724 104 HD1 TYR 13 HD1 TYR 13 -12.177 -9.688 24.659 105 HD2 TYR 13 HD2 TYR 13 -13.323 -9.932 20.527 106 HE1 TYR 13 HE1 TYR 13 -11.113 -11.923 24.498 107 HE2 TYR 13 HE2 TYR 13 -12.266 -12.170 20.366 108 HH TYR 13 HH TYR 13 -10.645 -13.516 21.456 109 H GLY 14 HN GLY 14 -10.538 -7.566 25.094 110 1HA GLY 14 HA2 GLY 14 -8.707 -6.921 22.861 111 2HA GLY 14 HA1 GLY 14 -8.280 -6.933 24.568 112 H PHE 15 HN PHE 15 -7.543 -8.445 21.836 113 HA PHE 15 HA PHE 15 -7.428 -11.172 23.029 114 1HB PHE 15 HB2 PHE 15 -7.604 -11.989 20.915 115 2HB PHE 15 HB1 PHE 15 -8.094 -10.358 20.464 116 HD1 PHE 15 HD1 PHE 15 -5.179 -12.655 20.727 117 HD2 PHE 15 HD2 PHE 15 -6.674 -8.945 19.150 118 HE1 PHE 15 HE1 PHE 15 -3.150 -12.435 19.325 119 HE2 PHE 15 HE2 PHE 15 -4.640 -8.740 17.751 120 HZ PHE 15 HZ PHE 15 -2.882 -10.474 17.837 121 HA PRO 16 HA PRO 16 -3.203 -10.282 23.928 122 1HB PRO 16 HB2 PRO 16 -2.457 -12.847 24.589 123 2HB PRO 16 HB1 PRO 16 -3.391 -11.789 25.660 124 1HG PRO 16 HG2 PRO 16 -4.323 -14.116 24.037 125 2HG PRO 16 HG1 PRO 16 -4.976 -13.478 25.554 126 1HD PRO 16 HD2 PRO 16 -6.074 -13.043 22.995 127 2HD PRO 16 HD1 PRO 16 -6.456 -12.106 24.456 128 H VAL 17 HN VAL 17 -1.534 -10.056 22.511 129 HA VAL 17 HA VAL 17 -1.182 -12.118 20.368 130 HB VAL 17 HB VAL 17 -1.843 -9.889 19.512 131 1HG1 VAL 17 HG11 VAL 17 0.668 -8.999 20.955 132 2HG1 VAL 17 HG12 VAL 17 -0.985 -8.522 21.339 133 3HG1 VAL 17 HG13 VAL 17 -0.246 -7.999 19.826 134 1HG2 VAL 17 HG21 VAL 17 0.220 -9.519 18.062 135 2HG2 VAL 17 HG22 VAL 17 -0.409 -11.167 18.063 136 3HG2 VAL 17 HG23 VAL 17 1.016 -10.766 19.023 137 H GLU 18 HN GLU 18 0.941 -12.928 20.083 138 HA GLU 18 HA GLU 18 2.843 -12.116 22.227 139 1HB GLU 18 HB2 GLU 18 2.219 -14.562 21.906 140 2HB GLU 18 HB1 GLU 18 3.082 -14.496 20.368 141 1HG GLU 18 HG2 GLU 18 5.120 -13.733 21.577 142 2HG GLU 18 HG1 GLU 18 4.253 -13.905 23.102 143 H VAL 19 HN VAL 19 4.346 -10.624 21.611 144 HA VAL 19 HA VAL 19 5.699 -10.993 19.004 145 HB VAL 19 HB VAL 19 4.872 -9.166 17.956 146 1HG1 VAL 19 HG11 VAL 19 2.769 -10.052 18.862 147 2HG1 VAL 19 HG12 VAL 19 2.709 -8.289 18.807 148 3HG1 VAL 19 HG13 VAL 19 2.992 -9.115 20.340 149 1HG2 VAL 19 HG21 VAL 19 5.244 -7.791 20.632 150 2HG2 VAL 19 HG22 VAL 19 4.661 -6.958 19.192 151 3HG2 VAL 19 HG23 VAL 19 6.278 -7.666 19.205 152 H ASP 20 HN ASP 20 7.594 -9.489 18.835 153 HA ASP 20 HA ASP 20 8.676 -8.866 21.552 154 1HB ASP 20 HB2 ASP 20 10.921 -9.186 20.096 155 2HB ASP 20 HB1 ASP 20 10.134 -10.528 20.931 156 H SER 21 HN SER 21 10.744 -7.346 21.121 157 HA SER 21 HA SER 21 9.730 -4.814 20.270 158 1HB SER 21 HB2 SER 21 12.654 -5.537 20.410 159 2HB SER 21 HB1 SER 21 11.896 -3.990 20.769 160 HG SER 21 HG SER 21 10.718 -5.384 22.430 161 H ASP 22 HN ASP 22 10.642 -7.398 18.353 162 HA ASP 22 HA ASP 22 11.808 -5.743 16.202 163 1HB ASP 22 HB2 ASP 22 11.391 -8.733 16.457 164 2HB ASP 22 HB1 ASP 22 12.102 -7.952 15.046 165 H THR 23 HN THR 23 8.859 -7.653 16.870 166 HA THR 23 HA THR 23 7.683 -7.807 14.372 167 HB THR 23 HB THR 23 5.794 -6.715 16.321 168 HG1 THR 23 HG1 THR 23 6.997 -9.105 17.110 169 1HG2 THR 23 HG21 THR 23 5.865 -9.580 15.591 170 2HG2 THR 23 HG22 THR 23 5.726 -8.446 14.247 171 3HG2 THR 23 HG23 THR 23 4.523 -8.435 15.539 172 H SER 24 HN SER 24 7.212 -6.378 12.808 173 HA SER 24 HA SER 24 7.814 -3.602 13.057 174 1HB SER 24 HB2 SER 24 5.807 -4.359 11.011 175 2HB SER 24 HB1 SER 24 7.338 -3.508 10.822 176 HG SER 24 HG SER 24 8.399 -5.482 10.966 177 H ILE 25 HN ILE 25 5.171 -2.809 11.710 178 HA ILE 25 HA ILE 25 3.483 -2.779 14.165 179 HB ILE 25 HB ILE 25 4.121 -0.476 12.304 180 1HG1 ILE 25 HG12 ILE 25 5.872 -0.859 13.927 181 2HG1 ILE 25 HG11 ILE 25 4.950 0.554 14.437 182 1HG2 ILE 25 HG21 ILE 25 2.052 0.253 12.823 183 2HG2 ILE 25 HG22 ILE 25 2.680 0.532 14.450 184 3HG2 ILE 25 HG23 ILE 25 1.831 -0.975 14.074 185 1HD1 ILE 25 HD11 ILE 25 4.890 -0.544 16.441 186 2HD1 ILE 25 HD12 ILE 25 5.162 -2.120 15.701 187 3HD1 ILE 25 HD13 ILE 25 3.549 -1.408 15.689 188 H LEU 26 HN LEU 26 3.680 -2.687 10.599 189 HA LEU 26 HA LEU 26 0.751 -2.833 10.389 190 1HB LEU 26 HB2 LEU 26 1.731 -1.796 8.481 191 2HB LEU 26 HB1 LEU 26 3.006 -3.011 8.387 192 HG LEU 26 HG LEU 26 1.005 -3.164 6.735 193 1HD1 LEU 26 HD11 LEU 26 2.151 -5.075 6.428 194 2HD1 LEU 26 HD12 LEU 26 1.124 -5.821 7.654 195 3HD1 LEU 26 HD13 LEU 26 2.659 -5.073 8.122 196 1HD2 LEU 26 HD21 LEU 26 -0.392 -4.958 8.578 197 2HD2 LEU 26 HD22 LEU 26 -1.051 -3.703 7.537 198 3HD2 LEU 26 HD23 LEU 26 -0.439 -3.285 9.130 199 H GLN 27 HN GLN 27 3.662 -4.684 10.414 200 HA GLN 27 HA GLN 27 2.686 -7.282 9.808 201 1HB GLN 27 HB2 GLN 27 5.030 -6.010 10.894 202 2HB GLN 27 HB1 GLN 27 4.616 -7.383 11.933 203 1HG GLN 27 HG2 GLN 27 4.750 -7.612 8.913 204 2HG GLN 27 HG1 GLN 27 6.147 -7.910 9.947 205 1HE2 GLN 27 HE21 GLN 27 6.271 -9.940 10.993 206 2HE2 GLN 27 HE22 GLN 27 5.045 -11.111 10.927 207 H LEU 28 HN LEU 28 2.586 -5.134 12.537 208 HA LEU 28 HA LEU 28 1.527 -6.937 14.537 209 1HB LEU 28 HB2 LEU 28 2.470 -4.475 14.717 210 2HB LEU 28 HB1 LEU 28 0.813 -4.010 14.332 211 HG LEU 28 HG LEU 28 1.091 -4.103 16.747 212 1HD1 LEU 28 HD11 LEU 28 -0.897 -5.243 17.120 213 2HD1 LEU 28 HD12 LEU 28 -0.415 -6.605 16.108 214 3HD1 LEU 28 HD13 LEU 28 -0.952 -5.095 15.356 215 1HD2 LEU 28 HD21 LEU 28 1.555 -7.057 16.632 216 2HD2 LEU 28 HD22 LEU 28 2.056 -5.892 17.860 217 3HD2 LEU 28 HD23 LEU 28 2.929 -5.992 16.328 218 H LYS 29 HN LYS 29 0.043 -4.739 12.168 219 HA LYS 29 HA LYS 29 -2.668 -5.428 12.868 220 1HB LYS 29 HB2 LYS 29 -1.435 -4.177 10.404 221 2HB LYS 29 HB1 LYS 29 -3.171 -4.421 10.584 222 1HG LYS 29 HG2 LYS 29 -3.261 -2.468 11.696 223 2HG LYS 29 HG1 LYS 29 -2.308 -3.225 12.995 224 1HD LYS 29 HD2 LYS 29 -0.256 -2.610 11.775 225 2HD LYS 29 HD1 LYS 29 -1.210 -1.800 10.546 226 1HE LYS 29 HE2 LYS 29 -2.173 -0.380 12.478 227 2HE LYS 29 HE1 LYS 29 -0.865 -1.049 13.455 228 1HZ LYS 29 HZ1 LYS 29 -0.093 0.977 12.536 229 2HZ LYS 29 HZ2 LYS 29 -0.628 0.567 10.977 230 3HZ LYS 29 HZ3 LYS 29 0.681 -0.262 11.673 231 H GLU 30 HN GLU 30 -0.196 -7.003 11.057 232 HA GLU 30 HA GLU 30 -1.969 -8.580 9.368 233 1HB GLU 30 HB2 GLU 30 0.961 -8.869 10.092 234 2HB GLU 30 HB1 GLU 30 0.123 -9.937 8.964 235 1HG GLU 30 HG2 GLU 30 -0.210 -7.030 8.472 236 2HG GLU 30 HG1 GLU 30 1.407 -7.676 8.193 237 H VAL 31 HN VAL 31 0.010 -9.280 12.262 238 HA VAL 31 HA VAL 31 -0.937 -11.969 12.652 239 HB VAL 31 HB VAL 31 0.182 -9.918 14.610 240 1HG1 VAL 31 HG11 VAL 31 0.389 -12.828 15.160 241 2HG1 VAL 31 HG12 VAL 31 -1.231 -12.147 15.310 242 3HG1 VAL 31 HG13 VAL 31 0.093 -11.491 16.272 243 1HG2 VAL 31 HG21 VAL 31 1.674 -10.626 12.730 244 2HG2 VAL 31 HG22 VAL 31 1.478 -12.301 13.243 245 3HG2 VAL 31 HG23 VAL 31 2.274 -11.140 14.307 246 H VAL 32 HN VAL 32 -1.935 -8.839 14.023 247 HA VAL 32 HA VAL 32 -4.119 -9.931 15.554 248 HB VAL 32 HB VAL 32 -3.668 -7.166 14.370 249 1HG1 VAL 32 HG11 VAL 32 -5.570 -7.653 16.637 250 2HG1 VAL 32 HG12 VAL 32 -6.081 -8.089 15.010 251 3HG1 VAL 32 HG13 VAL 32 -5.629 -6.426 15.365 252 1HG2 VAL 32 HG21 VAL 32 -2.035 -7.386 16.003 253 2HG2 VAL 32 HG22 VAL 32 -3.001 -8.505 16.965 254 3HG2 VAL 32 HG23 VAL 32 -3.380 -6.783 16.977 255 H ALA 33 HN ALA 33 -3.660 -8.806 12.255 256 HA ALA 33 HA ALA 33 -6.381 -8.846 11.415 257 1HB ALA 33 HB1 ALA 33 -5.156 -9.531 9.132 258 2HB ALA 33 HB2 ALA 33 -3.719 -9.069 10.044 259 3HB ALA 33 HB3 ALA 33 -5.010 -7.898 9.782 260 H LYS 34 HN LYS 34 -4.042 -11.337 12.018 261 HA LYS 34 HA LYS 34 -5.280 -13.513 10.609 262 1HB LYS 34 HB2 LYS 34 -3.738 -13.794 13.203 263 2HB LYS 34 HB1 LYS 34 -3.812 -14.928 11.849 264 1HG LYS 34 HG2 LYS 34 -2.510 -12.228 11.910 265 2HG LYS 34 HG1 LYS 34 -1.689 -13.777 11.805 266 1HD LYS 34 HD2 LYS 34 -3.708 -12.942 9.723 267 2HD LYS 34 HD1 LYS 34 -2.019 -12.446 9.601 268 1HE LYS 34 HE2 LYS 34 -2.513 -15.322 10.173 269 2HE LYS 34 HE1 LYS 34 -2.930 -14.762 8.553 270 1HZ LYS 34 HZ1 LYS 34 -0.468 -13.645 9.241 271 2HZ LYS 34 HZ2 LYS 34 -0.794 -14.801 8.039 272 3HZ LYS 34 HZ3 LYS 34 -0.389 -15.298 9.613 273 H ARG 35 HN ARG 35 -5.414 -12.524 14.019 274 HA ARG 35 HA ARG 35 -7.415 -14.487 14.717 275 1HB ARG 35 HB2 ARG 35 -6.476 -11.974 16.109 276 2HB ARG 35 HB1 ARG 35 -7.653 -13.093 16.809 277 1HG ARG 35 HG2 ARG 35 -5.853 -14.213 17.617 278 2HG ARG 35 HG1 ARG 35 -5.624 -14.779 15.960 279 1HD ARG 35 HD2 ARG 35 -4.112 -13.006 15.462 280 2HD ARG 35 HD1 ARG 35 -4.528 -12.154 16.954 281 HE ARG 35 HE ARG 35 -2.408 -13.442 17.309 282 1HH1 ARG 35 HH21 ARG 35 -3.554 -15.959 15.954 283 2HH1 ARG 35 HH22 ARG 35 -3.807 -16.974 17.335 284 1HH2 ARG 35 HH11 ARG 35 -3.517 -14.383 19.621 285 2HH2 ARG 35 HH12 ARG 35 -3.783 -16.082 19.411 286 H GLN 36 HN GLN 36 -7.631 -11.299 13.323 287 HA GLN 36 HA GLN 36 -10.462 -10.992 14.083 288 1HB GLN 36 HB2 GLN 36 -8.359 -9.300 12.967 289 2HB GLN 36 HB1 GLN 36 -9.898 -9.093 12.132 290 1HG GLN 36 HG2 GLN 36 -9.853 -9.159 15.130 291 2HG GLN 36 HG1 GLN 36 -9.381 -7.681 14.288 292 1HE2 GLN 36 HE21 GLN 36 -11.811 -7.971 15.914 293 2HE2 GLN 36 HE22 GLN 36 -13.130 -7.743 14.871 294 H GLY 37 HN GLY 37 -8.666 -12.358 11.486 295 1HA GLY 37 HA2 GLY 37 -9.467 -13.503 9.569 296 2HA GLY 37 HA1 GLY 37 -11.113 -13.167 10.120 297 H VAL 38 HN VAL 38 -9.011 -10.500 10.079 298 HA VAL 38 HA VAL 38 -10.152 -9.499 7.496 299 HB VAL 38 HB VAL 38 -10.590 -7.422 8.504 300 1HG1 VAL 38 HG11 VAL 38 -12.133 -9.044 9.435 301 2HG1 VAL 38 HG12 VAL 38 -11.673 -7.924 10.719 302 3HG1 VAL 38 HG13 VAL 38 -10.947 -9.531 10.648 303 1HG2 VAL 38 HG21 VAL 38 -8.395 -7.022 9.458 304 2HG2 VAL 38 HG22 VAL 38 -8.636 -8.299 10.652 305 3HG2 VAL 38 HG23 VAL 38 -9.588 -6.816 10.741 306 HA PRO 39 HA PRO 39 -6.078 -8.541 6.355 307 1HB PRO 39 HB2 PRO 39 -6.544 -6.264 4.875 308 2HB PRO 39 HB1 PRO 39 -6.938 -7.903 4.326 309 1HG PRO 39 HG2 PRO 39 -8.775 -5.763 5.278 310 2HG PRO 39 HG1 PRO 39 -9.115 -7.147 4.229 311 1HD PRO 39 HD2 PRO 39 -9.754 -6.926 6.974 312 2HD PRO 39 HD1 PRO 39 -9.858 -8.391 5.977 313 H ALA 40 HN ALA 40 -4.327 -7.440 7.165 314 HA ALA 40 HA ALA 40 -4.450 -5.835 9.465 315 1HB ALA 40 HB1 ALA 40 -2.172 -5.610 9.243 316 2HB ALA 40 HB2 ALA 40 -2.262 -5.346 7.501 317 3HB ALA 40 HB3 ALA 40 -2.448 -6.978 8.165 318 H ASP 41 HN ASP 41 -5.047 -4.950 6.177 319 HA ASP 41 HA ASP 41 -4.396 -2.186 6.321 320 1HB ASP 41 HB2 ASP 41 -6.027 -3.911 4.559 321 2HB ASP 41 HB1 ASP 41 -6.534 -2.221 4.609 322 H GLN 42 HN GLN 42 -7.625 -3.721 6.642 323 HA GLN 42 HA GLN 42 -8.974 -1.401 7.624 324 1HB GLN 42 HB2 GLN 42 -9.477 -4.285 7.429 325 2HB GLN 42 HB1 GLN 42 -10.231 -3.547 8.839 326 1HG GLN 42 HG2 GLN 42 -11.695 -2.332 7.578 327 2HG GLN 42 HG1 GLN 42 -10.494 -2.008 6.326 328 1HE2 GLN 42 HE21 GLN 42 -12.194 -2.630 4.709 329 2HE2 GLN 42 HE22 GLN 42 -12.508 -4.274 4.422 330 H LEU 43 HN LEU 43 -7.523 -4.144 9.287 331 HA LEU 43 HA LEU 43 -7.942 -3.320 11.992 332 1HB LEU 43 HB2 LEU 43 -6.977 -5.497 10.660 333 2HB LEU 43 HB1 LEU 43 -5.484 -4.804 11.279 334 HG LEU 43 HG LEU 43 -6.611 -4.738 13.559 335 1HD1 LEU 43 HD11 LEU 43 -8.595 -6.021 13.914 336 2HD1 LEU 43 HD12 LEU 43 -8.468 -6.784 12.325 337 3HD1 LEU 43 HD13 LEU 43 -8.938 -5.088 12.448 338 1HD2 LEU 43 HD21 LEU 43 -5.585 -6.964 11.946 339 2HD2 LEU 43 HD22 LEU 43 -6.520 -7.491 13.353 340 3HD2 LEU 43 HD23 LEU 43 -5.120 -6.439 13.563 341 H ARG 44 HN ARG 44 -6.631 -1.956 13.341 342 HA ARG 44 HA ARG 44 -3.989 -1.216 12.346 343 1HB ARG 44 HB2 ARG 44 -6.235 0.546 11.917 344 2HB ARG 44 HB1 ARG 44 -4.945 1.319 12.852 345 1HG ARG 44 HG2 ARG 44 -3.816 1.573 10.909 346 2HG ARG 44 HG1 ARG 44 -3.595 -0.188 10.920 347 1HD ARG 44 HD2 ARG 44 -5.041 -0.467 9.221 348 2HD ARG 44 HD1 ARG 44 -6.250 0.574 9.972 349 HE ARG 44 HE ARG 44 -5.290 2.460 8.808 350 1HH1 ARG 44 HH11 ARG 44 -3.086 -0.128 8.720 351 2HH1 ARG 44 HH12 ARG 44 -2.486 0.233 7.136 352 1HH2 ARG 44 HH21 ARG 44 -4.787 2.758 6.548 353 2HH2 ARG 44 HH22 ARG 44 -3.445 1.868 5.909 354 H VAL 45 HN VAL 45 -2.733 -1.376 13.922 355 HA VAL 45 HA VAL 45 -3.599 -1.165 16.699 356 HB VAL 45 HB VAL 45 -0.876 -1.770 15.519 357 1HG1 VAL 45 HG11 VAL 45 -0.239 -2.165 17.642 358 2HG1 VAL 45 HG12 VAL 45 -1.655 -3.173 17.936 359 3HG1 VAL 45 HG13 VAL 45 -1.750 -1.427 18.170 360 1HG2 VAL 45 HG21 VAL 45 -3.398 -3.163 15.373 361 2HG2 VAL 45 HG22 VAL 45 -2.248 -4.107 16.327 362 3HG2 VAL 45 HG23 VAL 45 -1.834 -3.611 14.683 363 H ILE 46 HN ILE 46 -3.480 0.699 17.756 364 HA ILE 46 HA ILE 46 -1.162 2.493 17.249 365 HB ILE 46 HB ILE 46 -4.019 3.369 17.787 366 1HG1 ILE 46 HG12 ILE 46 -2.646 4.120 15.274 367 2HG1 ILE 46 HG11 ILE 46 -2.988 2.387 15.419 368 1HG2 ILE 46 HG21 ILE 46 -2.732 5.102 18.665 369 2HG2 ILE 46 HG22 ILE 46 -2.812 5.595 16.974 370 3HG2 ILE 46 HG23 ILE 46 -1.377 4.778 17.587 371 1HD1 ILE 46 HD11 ILE 46 -4.877 4.700 15.241 372 2HD1 ILE 46 HD12 ILE 46 -5.354 3.339 16.255 373 3HD1 ILE 46 HD13 ILE 46 -5.004 3.084 14.546 374 H PHE 47 HN PHE 47 -0.007 2.463 19.077 375 HA PHE 47 HA PHE 47 -1.229 1.462 21.565 376 1HB PHE 47 HB2 PHE 47 0.757 0.417 21.205 377 2HB PHE 47 HB1 PHE 47 1.503 1.845 20.476 378 HD1 PHE 47 HD1 PHE 47 0.665 0.115 23.554 379 HD2 PHE 47 HD2 PHE 47 2.277 3.721 21.861 380 HE1 PHE 47 HE1 PHE 47 1.653 0.704 25.767 381 HE2 PHE 47 HE2 PHE 47 3.277 4.311 24.070 382 HZ PHE 47 HZ PHE 47 2.959 2.802 26.019 383 H ALA 48 HN ALA 48 -1.736 2.653 23.278 384 HA ALA 48 HA ALA 48 -1.896 4.427 24.779 385 1HB ALA 48 HB1 ALA 48 0.602 3.920 24.791 386 2HB ALA 48 HB2 ALA 48 0.126 5.523 25.350 387 3HB ALA 48 HB3 ALA 48 0.781 5.313 23.725 388 H GLY 49 HN GLY 49 -2.204 4.902 21.610 389 1HA GLY 49 HA2 GLY 49 -3.589 6.753 20.828 390 2HA GLY 49 HA1 GLY 49 -2.825 7.777 22.038 391 H LYS 50 HN LYS 50 -0.275 6.066 20.786 392 HA LYS 50 HA LYS 50 0.277 8.320 18.933 393 1HB LYS 50 HB2 LYS 50 1.967 6.322 20.398 394 2HB LYS 50 HB1 LYS 50 2.601 7.039 18.916 395 1HG LYS 50 HG2 LYS 50 3.341 8.514 20.603 396 2HG LYS 50 HG1 LYS 50 1.904 9.307 19.957 397 1HD LYS 50 HD2 LYS 50 0.966 9.261 21.997 398 2HD LYS 50 HD1 LYS 50 1.053 7.500 21.993 399 1HE LYS 50 HE2 LYS 50 2.330 8.039 23.877 400 2HE LYS 50 HE1 LYS 50 3.567 7.889 22.628 401 1HZ LYS 50 HZ1 LYS 50 2.469 10.314 23.873 402 2HZ LYS 50 HZ2 LYS 50 3.079 10.397 22.291 403 3HZ LYS 50 HZ3 LYS 50 4.085 9.901 23.567 404 H GLU 51 HN GLU 51 -0.291 7.990 16.876 405 HA GLU 51 HA GLU 51 -0.761 5.331 15.812 406 1HB GLU 51 HB2 GLU 51 -2.122 7.119 14.956 407 2HB GLU 51 HB1 GLU 51 -0.703 8.080 14.541 408 1HG GLU 51 HG2 GLU 51 -0.035 6.166 12.983 409 2HG GLU 51 HG1 GLU 51 -1.658 5.522 13.239 410 H LEU 52 HN LEU 52 1.030 4.084 15.565 411 HA LEU 52 HA LEU 52 3.513 5.307 14.536 412 1HB LEU 52 HB2 LEU 52 3.370 2.371 14.954 413 2HB LEU 52 HB1 LEU 52 4.631 3.514 15.417 414 HG LEU 52 HG LEU 52 1.966 3.124 16.793 415 1HD1 LEU 52 HD11 LEU 52 4.825 2.479 17.532 416 2HD1 LEU 52 HD12 LEU 52 3.465 1.362 17.400 417 3HD1 LEU 52 HD13 LEU 52 3.521 2.532 18.722 418 1HD2 LEU 52 HD21 LEU 52 4.186 5.141 17.151 419 2HD2 LEU 52 HD22 LEU 52 3.088 4.735 18.473 420 3HD2 LEU 52 HD23 LEU 52 2.457 5.443 16.986 421 HA PRO 53 HA PRO 53 2.785 3.946 10.455 422 1HB PRO 53 HB2 PRO 53 5.397 3.788 9.612 423 2HB PRO 53 HB1 PRO 53 4.532 5.321 9.829 424 1HG PRO 53 HG2 PRO 53 6.613 4.078 11.557 425 2HG PRO 53 HG1 PRO 53 6.217 5.790 11.343 426 1HD PRO 53 HD2 PRO 53 5.446 4.188 13.543 427 2HD PRO 53 HD1 PRO 53 4.747 5.767 13.117 428 H ASN 54 HN ASN 54 4.135 2.128 8.932 429 HA ASN 54 HA ASN 54 3.754 -0.355 10.493 430 1HB ASN 54 HB2 ASN 54 3.964 -1.450 8.256 431 2HB ASN 54 HB1 ASN 54 2.703 -0.219 8.291 432 1HD2 ASN 54 HD21 ASN 54 2.927 1.570 6.888 433 2HD2 ASN 54 HD22 ASN 54 4.266 1.807 5.872 434 H HIS 55 HN HIS 55 6.300 1.284 8.635 435 HA HIS 55 HA HIS 55 8.244 -0.783 8.785 436 1HB HIS 55 HB2 HIS 55 9.891 0.972 8.291 437 2HB HIS 55 HB1 HIS 55 8.453 1.165 7.289 438 HD1 HIS 55 HD1 HIS 55 7.118 3.308 7.549 439 HD2 HIS 55 HD2 HIS 55 10.040 2.888 10.493 440 HE1 HIS 55 HE1 HIS 55 7.189 5.504 8.808 441 H LEU 56 HN LEU 56 7.549 1.861 11.083 442 HA LEU 56 HA LEU 56 9.789 1.625 12.737 443 1HB LEU 56 HB2 LEU 56 6.914 2.275 13.322 444 2HB LEU 56 HB1 LEU 56 8.071 2.139 14.647 445 HG LEU 56 HG LEU 56 8.206 4.026 12.282 446 1HD1 LEU 56 HD11 LEU 56 8.596 5.443 14.607 447 2HD1 LEU 56 HD12 LEU 56 7.449 4.205 15.119 448 3HD1 LEU 56 HD13 LEU 56 7.047 5.279 13.779 449 1HD2 LEU 56 HD21 LEU 56 10.449 3.830 12.453 450 2HD2 LEU 56 HD22 LEU 56 10.337 2.923 13.961 451 3HD2 LEU 56 HD23 LEU 56 10.277 4.687 13.984 452 H THR 57 HN THR 57 10.116 0.467 14.770 453 HA THR 57 HA THR 57 9.230 -2.341 14.542 454 HB THR 57 HB THR 57 10.902 -2.287 16.694 455 HG1 THR 57 HG1 THR 57 12.592 -0.800 15.623 456 1HG2 THR 57 HG21 THR 57 10.903 -3.356 14.207 457 2HG2 THR 57 HG22 THR 57 12.287 -3.453 15.298 458 3HG2 THR 57 HG23 THR 57 12.236 -2.211 14.046 459 H VAL 58 HN VAL 58 8.859 -3.467 16.734 460 HA VAL 58 HA VAL 58 6.490 -2.430 17.930 461 HB VAL 58 HB VAL 58 8.426 -4.628 18.706 462 1HG1 VAL 58 HG11 VAL 58 7.609 -3.881 20.826 463 2HG1 VAL 58 HG12 VAL 58 6.578 -5.242 20.381 464 3HG1 VAL 58 HG13 VAL 58 5.994 -3.590 20.180 465 1HG2 VAL 58 HG21 VAL 58 5.781 -5.533 18.380 466 2HG2 VAL 58 HG22 VAL 58 7.111 -5.720 17.236 467 3HG2 VAL 58 HG23 VAL 58 6.018 -4.341 17.099 468 H GLN 59 HN GLN 59 9.854 -2.457 19.103 469 HA GLN 59 HA GLN 59 9.091 -0.904 21.503 470 1HB GLN 59 HB2 GLN 59 11.550 -2.215 20.445 471 2HB GLN 59 HB1 GLN 59 11.713 -0.969 21.680 472 1HG GLN 59 HG2 GLN 59 9.843 -2.313 22.926 473 2HG GLN 59 HG1 GLN 59 10.336 -3.637 21.876 474 1HE2 GLN 59 HE21 GLN 59 10.983 -4.513 24.185 475 2HE2 GLN 59 HE22 GLN 59 12.557 -4.147 24.706 476 H ASN 60 HN ASN 60 8.948 0.164 18.697 477 HA ASN 60 HA ASN 60 11.073 2.194 18.614 478 1HB ASN 60 HB2 ASN 60 9.652 1.003 16.639 479 2HB ASN 60 HB1 ASN 60 8.733 2.499 16.825 480 1HD2 ASN 60 HD21 ASN 60 9.824 4.528 16.349 481 2HD2 ASN 60 HD22 ASN 60 11.317 4.567 15.542 482 H CYS 61 HN CYS 61 7.493 2.470 18.570 483 HA CYS 61 HA CYS 61 7.659 5.205 19.573 484 1HB CYS 61 HB2 CYS 61 5.750 4.677 18.197 485 2HB CYS 61 HB1 CYS 61 5.345 3.280 19.196 486 HG CYS 61 HG CYS 61 3.870 4.926 20.353 487 H ASP 62 HN ASP 62 6.620 2.073 20.855 488 HA ASP 62 HA ASP 62 7.787 1.989 23.292 489 1HB ASP 62 HB2 ASP 62 5.800 4.174 23.268 490 2HB ASP 62 HB1 ASP 62 5.650 3.059 24.627 491 H LEU 63 HN LEU 63 6.354 0.312 21.363 492 HA LEU 63 HA LEU 63 3.939 -0.599 22.800 493 1HB LEU 63 HB2 LEU 63 5.419 -1.914 20.533 494 2HB LEU 63 HB1 LEU 63 3.816 -2.344 21.121 495 HG LEU 63 HG LEU 63 4.029 0.496 20.565 496 1HD1 LEU 63 HD11 LEU 63 4.934 0.495 18.515 497 2HD1 LEU 63 HD12 LEU 63 3.964 -0.894 18.019 498 3HD1 LEU 63 HD13 LEU 63 5.492 -1.141 18.866 499 1HD2 LEU 63 HD21 LEU 63 1.940 0.068 19.439 500 2HD2 LEU 63 HD22 LEU 63 1.969 -0.952 20.880 501 3HD2 LEU 63 HD23 LEU 63 2.306 -1.653 19.296 502 H GLU 64 HN GLU 64 7.051 -2.082 21.897 503 HA GLU 64 HA GLU 64 8.226 -3.865 22.887 504 1HB GLU 64 HB2 GLU 64 7.339 -2.880 25.561 505 2HB GLU 64 HB1 GLU 64 8.947 -3.348 25.020 506 1HG GLU 64 HG2 GLU 64 9.424 -1.166 24.749 507 2HG GLU 64 HG1 GLU 64 8.242 -1.117 23.445 508 H GLN 65 HN GLN 65 7.612 -5.041 25.462 509 HA GLN 65 HA GLN 65 5.281 -6.671 24.601 510 1HB GLN 65 HB2 GLN 65 6.196 -7.860 26.906 511 2HB GLN 65 HB1 GLN 65 6.693 -8.320 25.277 512 1HG GLN 65 HG2 GLN 65 8.704 -7.996 26.514 513 2HG GLN 65 HG1 GLN 65 8.537 -6.567 25.498 514 1HE2 GLN 65 HE21 GLN 65 9.043 -4.713 26.673 515 2HE2 GLN 65 HE22 GLN 65 8.668 -4.460 28.309 516 H GLN 66 HN GLN 66 3.354 -6.650 25.780 517 HA GLN 66 HA GLN 66 1.814 -5.984 27.424 518 1HB GLN 66 HB2 GLN 66 3.736 -6.436 29.081 519 2HB GLN 66 HB1 GLN 66 4.137 -4.726 28.933 520 1HG GLN 66 HG2 GLN 66 2.691 -4.846 30.817 521 2HG GLN 66 HG1 GLN 66 1.675 -4.264 29.498 522 1HE2 GLN 66 HE21 GLN 66 -0.154 -5.225 30.837 523 2HE2 GLN 66 HE22 GLN 66 -0.474 -6.885 30.687 524 H SER 67 HN SER 67 0.687 -4.383 26.422 525 HA SER 67 HA SER 67 1.325 -1.590 26.705 526 1HB SER 67 HB2 SER 67 2.542 -3.013 24.508 527 2HB SER 67 HB1 SER 67 1.374 -1.850 23.887 528 HG SER 67 HG SER 67 2.943 -0.919 25.946 529 H ILE 68 HN ILE 68 -0.704 -0.627 26.548 530 HA ILE 68 HA ILE 68 -2.839 -2.354 25.569 531 HB ILE 68 HB ILE 68 -2.565 0.069 27.201 532 1HG1 ILE 68 HG12 ILE 68 -4.193 -0.991 28.510 533 2HG1 ILE 68 HG11 ILE 68 -4.902 -1.820 27.126 534 1HG2 ILE 68 HG21 ILE 68 -4.828 0.899 26.659 535 2HG2 ILE 68 HG22 ILE 68 -4.922 -0.276 25.346 536 3HG2 ILE 68 HG23 ILE 68 -3.734 1.027 25.282 537 1HD1 ILE 68 HD11 ILE 68 -3.547 -3.589 27.404 538 2HD1 ILE 68 HD12 ILE 68 -3.024 -2.879 28.925 539 3HD1 ILE 68 HD13 ILE 68 -2.099 -2.577 27.451 540 H VAL 69 HN VAL 69 -3.471 -2.358 23.536 541 HA VAL 69 HA VAL 69 -2.652 -0.110 21.768 542 HB VAL 69 HB VAL 69 -3.047 -3.060 21.363 543 1HG1 VAL 69 HG11 VAL 69 -3.137 -2.713 18.929 544 2HG1 VAL 69 HG12 VAL 69 -3.260 -0.974 19.180 545 3HG1 VAL 69 HG13 VAL 69 -4.556 -2.041 19.722 546 1HG2 VAL 69 HG21 VAL 69 -0.824 -1.657 21.688 547 2HG2 VAL 69 HG22 VAL 69 -1.059 -1.284 19.980 548 3HG2 VAL 69 HG23 VAL 69 -0.880 -2.960 20.500 549 H HIS 70 HN HIS 70 -4.174 0.430 20.032 550 HA HIS 70 HA HIS 70 -7.008 -0.198 20.702 551 1HB HIS 70 HB2 HIS 70 -6.478 2.169 21.267 552 2HB HIS 70 HB1 HIS 70 -5.899 2.426 19.622 553 HD1 HIS 70 HD1 HIS 70 -8.709 3.281 21.442 554 HD2 HIS 70 HD2 HIS 70 -8.293 1.248 17.824 555 HE1 HIS 70 HE1 HIS 70 -10.922 3.511 20.232 556 H ILE 71 HN ILE 71 -7.372 -1.705 19.141 557 HA ILE 71 HA ILE 71 -6.298 -1.385 16.446 558 HB ILE 71 HB ILE 71 -6.481 -3.596 16.285 559 1HG1 ILE 71 HG12 ILE 71 -8.620 -4.663 17.462 560 2HG1 ILE 71 HG11 ILE 71 -9.230 -3.066 17.094 561 1HG2 ILE 71 HG21 ILE 71 -6.809 -4.800 18.515 562 2HG2 ILE 71 HG22 ILE 71 -6.934 -3.211 19.229 563 3HG2 ILE 71 HG23 ILE 71 -5.457 -3.678 18.401 564 1HD1 ILE 71 HD11 ILE 71 -7.879 -4.963 15.167 565 2HD1 ILE 71 HD12 ILE 71 -8.357 -3.308 14.772 566 3HD1 ILE 71 HD13 ILE 71 -9.591 -4.517 15.156 567 H VAL 72 HN VAL 72 -7.578 -0.984 14.618 568 HA VAL 72 HA VAL 72 -10.495 -0.599 15.077 569 HB VAL 72 HB VAL 72 -9.304 1.605 15.321 570 1HG1 VAL 72 HG11 VAL 72 -8.647 1.142 12.398 571 2HG1 VAL 72 HG12 VAL 72 -7.478 1.101 13.718 572 3HG1 VAL 72 HG13 VAL 72 -8.306 2.607 13.319 573 1HG2 VAL 72 HG21 VAL 72 -11.655 1.412 14.481 574 2HG2 VAL 72 HG22 VAL 72 -11.027 1.377 12.834 575 3HG2 VAL 72 HG23 VAL 72 -10.809 2.816 13.830 576 H GLN 73 HN GLN 73 -11.724 -1.242 13.305 577 HA GLN 73 HA GLN 73 -10.186 -2.031 10.862 578 1HB GLN 73 HB2 GLN 73 -10.936 -4.014 12.021 579 2HB GLN 73 HB1 GLN 73 -12.569 -3.366 12.167 580 1HG GLN 73 HG2 GLN 73 -12.008 -3.207 9.430 581 2HG GLN 73 HG1 GLN 73 -11.333 -4.757 9.926 582 1HE2 GLN 73 HE21 GLN 73 -13.191 -5.386 12.033 583 2HE2 GLN 73 HE22 GLN 73 -14.710 -5.663 11.328 584 H ARG 74 HN ARG 74 -10.735 -0.737 9.160 585 HA ARG 74 HA ARG 74 -12.907 1.067 9.066 586 1HB ARG 74 HB2 ARG 74 -11.337 -0.323 6.884 587 2HB ARG 74 HB1 ARG 74 -12.602 0.848 6.514 588 1HG ARG 74 HG2 ARG 74 -10.470 1.588 8.494 589 2HG ARG 74 HG1 ARG 74 -10.097 1.641 6.771 590 1HD ARG 74 HD2 ARG 74 -12.677 2.874 7.516 591 2HD ARG 74 HD1 ARG 74 -11.251 3.701 8.145 592 HE ARG 74 HE ARG 74 -11.161 3.026 5.277 593 1HH1 ARG 74 HH11 ARG 74 -9.917 5.277 7.150 594 2HH1 ARG 74 HH12 ARG 74 -10.622 6.668 6.396 595 1HH2 ARG 74 HH21 ARG 74 -12.904 4.832 4.540 596 2HH2 ARG 74 HH22 ARG 74 -12.314 6.416 4.919 597 HA PRO 75 HA PRO 75 -16.001 -2.185 8.692 598 1HB PRO 75 HB2 PRO 75 -18.118 -0.593 9.393 599 2HB PRO 75 HB1 PRO 75 -17.041 -1.399 10.561 600 1HG PRO 75 HG2 PRO 75 -17.147 1.462 9.783 601 2HG PRO 75 HG1 PRO 75 -16.567 0.727 11.282 602 1HD PRO 75 HD2 PRO 75 -14.946 1.704 9.169 603 2HD PRO 75 HD1 PRO 75 -14.401 0.701 10.530 604 H ARG 76 HN ARG 76 -16.991 -2.735 6.793 605 HA ARG 76 HA ARG 76 -17.337 -0.852 4.634 606 1HB ARG 76 HB2 ARG 76 -18.881 -3.442 4.954 607 2HB ARG 76 HB1 ARG 76 -18.389 -2.651 3.457 608 1HG ARG 76 HG2 ARG 76 -16.133 -3.284 5.224 609 2HG ARG 76 HG1 ARG 76 -17.018 -4.711 4.684 610 1HD ARG 76 HD2 ARG 76 -15.092 -3.819 3.181 611 2HD ARG 76 HD1 ARG 76 -16.618 -4.252 2.411 612 HE ARG 76 HE ARG 76 -17.157 -1.841 2.312 613 1HH1 ARG 76 HH21 ARG 76 -14.234 -2.334 3.973 614 2HH1 ARG 76 HH22 ARG 76 -13.411 -0.999 3.239 615 1HH2 ARG 76 HH11 ARG 76 -15.985 -0.288 1.025 616 2HH2 ARG 76 HH12 ARG 76 -14.400 0.157 1.563 617 H ARG 77 HN ARG 77 -19.767 -0.503 3.784 618 HA ARG 77 HA ARG 77 -21.144 0.976 5.751 619 1HB ARG 77 HB2 ARG 77 -21.543 0.967 3.219 620 2HB ARG 77 HB1 ARG 77 -22.536 -0.468 3.483 621 1HG ARG 77 HG2 ARG 77 -23.089 1.835 5.270 622 2HG ARG 77 HG1 ARG 77 -23.528 2.052 3.576 623 1HD ARG 77 HD2 ARG 77 -24.285 -0.579 4.617 624 2HD ARG 77 HD1 ARG 77 -25.067 0.748 5.474 625 HE ARG 77 HE ARG 77 -25.169 0.630 2.494 626 1HH1 ARG 77 HH11 ARG 77 -27.090 -1.009 4.342 627 2HH1 ARG 77 HH12 ARG 77 -28.484 0.020 4.297 628 1HH2 ARG 77 HH21 ARG 77 -26.770 2.728 2.974 629 2HH2 ARG 77 HH22 ARG 77 -28.301 2.137 3.527 630 H ARG 78 HN ARG 78 -21.289 -0.243 7.715 631 HA ARG 78 HA ARG 78 -22.208 -2.897 7.971 632 1HB ARG 78 HB2 ARG 78 -21.396 -1.016 9.736 633 2HB ARG 78 HB1 ARG 78 -23.133 -0.964 10.034 634 1HG ARG 78 HG2 ARG 78 -22.852 -3.615 10.022 635 2HG ARG 78 HG1 ARG 78 -21.200 -3.201 10.479 636 1HD ARG 78 HD2 ARG 78 -22.445 -1.579 12.179 637 2HD ARG 78 HD1 ARG 78 -23.751 -2.746 11.974 638 HE ARG 78 HE ARG 78 -21.619 -4.377 12.488 639 1HH1 ARG 78 HH21 ARG 78 -21.235 -1.370 13.754 640 2HH1 ARG 78 HH22 ARG 78 -21.366 -1.824 15.420 641 1HH2 ARG 78 HH11 ARG 78 -22.474 -5.037 14.733 642 2HH2 ARG 78 HH12 ARG 78 -22.071 -3.899 15.975 Start of MODEL 3 1 1H MET 1 HT1 MET 1 11.915 -13.702 24.284 2 2H MET 1 HT2 MET 1 11.061 -12.478 25.097 3 3H MET 1 HT3 MET 1 12.708 -12.731 25.427 4 HA MET 1 HA MET 1 13.154 -11.153 23.951 5 1HB MET 1 HB2 MET 1 13.247 -13.467 22.647 6 2HB MET 1 HB1 MET 1 11.899 -12.762 21.756 7 1HG MET 1 HG2 MET 1 14.645 -11.524 22.119 8 2HG MET 1 HG1 MET 1 14.002 -12.218 20.630 9 1HE MET 1 HE1 MET 1 15.070 -8.942 20.976 10 2HE MET 1 HE2 MET 1 14.048 -8.629 19.576 11 3HE MET 1 HE3 MET 1 14.906 -10.162 19.705 12 H GLY 2 HN GLY 2 10.039 -12.479 22.765 13 1HA GLY 2 HA2 GLY 2 9.028 -9.662 22.722 14 2HA GLY 2 HA1 GLY 2 8.574 -10.860 21.506 15 H MET 3 HN MET 3 8.133 -9.832 24.809 16 HA MET 3 HA MET 3 6.411 -11.992 25.600 17 1HB MET 3 HB2 MET 3 6.779 -10.998 27.575 18 2HB MET 3 HB1 MET 3 7.465 -9.590 26.775 19 1HG MET 3 HG2 MET 3 5.177 -8.685 26.452 20 2HG MET 3 HG1 MET 3 4.523 -10.082 27.305 21 1HE MET 3 HE1 MET 3 7.348 -10.135 29.618 22 2HE MET 3 HE2 MET 3 5.835 -10.960 29.254 23 3HE MET 3 HE3 MET 3 5.974 -10.003 30.726 24 H ILE 4 HN ILE 4 4.036 -11.521 26.164 25 HA ILE 4 HA ILE 4 2.694 -10.861 23.702 26 HB ILE 4 HB ILE 4 1.920 -11.801 26.404 27 1HG1 ILE 4 HG12 ILE 4 2.124 -12.804 23.764 28 2HG1 ILE 4 HG11 ILE 4 1.542 -13.662 25.191 29 1HG2 ILE 4 HG21 ILE 4 -0.498 -11.385 25.857 30 2HG2 ILE 4 HG22 ILE 4 0.029 -10.366 24.517 31 3HG2 ILE 4 HG23 ILE 4 0.411 -9.904 26.178 32 1HD1 ILE 4 HD11 ILE 4 -0.728 -12.705 24.784 33 2HD1 ILE 4 HD12 ILE 4 -0.173 -13.738 23.467 34 3HD1 ILE 4 HD13 ILE 4 -0.121 -11.987 23.295 35 H VAL 5 HN VAL 5 1.434 -9.143 23.168 36 HA VAL 5 HA VAL 5 1.509 -6.740 24.923 37 HB VAL 5 HB VAL 5 0.557 -6.531 22.120 38 1HG1 VAL 5 HG11 VAL 5 0.966 -4.681 23.906 39 2HG1 VAL 5 HG12 VAL 5 1.520 -4.388 22.257 40 3HG1 VAL 5 HG13 VAL 5 2.669 -4.885 23.498 41 1HG2 VAL 5 HG21 VAL 5 2.744 -6.640 21.126 42 2HG2 VAL 5 HG22 VAL 5 2.545 -8.125 22.058 43 3HG2 VAL 5 HG23 VAL 5 3.518 -6.802 22.702 44 H PHE 6 HN PHE 6 -0.660 -5.489 24.830 45 HA PHE 6 HA PHE 6 -2.847 -7.507 24.786 46 1HB PHE 6 HB2 PHE 6 -2.366 -6.081 26.856 47 2HB PHE 6 HB1 PHE 6 -2.985 -4.719 25.922 48 HD1 PHE 6 HD1 PHE 6 -4.020 -8.319 26.180 49 HD2 PHE 6 HD2 PHE 6 -5.153 -4.194 26.597 50 HE1 PHE 6 HE1 PHE 6 -6.346 -9.007 26.694 51 HE2 PHE 6 HE2 PHE 6 -7.478 -4.884 27.113 52 HZ PHE 6 HZ PHE 6 -8.075 -7.292 27.162 53 H VAL 7 HN VAL 7 -3.831 -7.532 22.809 54 HA VAL 7 HA VAL 7 -4.074 -4.973 21.314 55 HB VAL 7 HB VAL 7 -4.523 -7.872 20.603 56 1HG1 VAL 7 HG11 VAL 7 -6.158 -7.256 19.157 57 2HG1 VAL 7 HG12 VAL 7 -4.959 -6.301 18.294 58 3HG1 VAL 7 HG13 VAL 7 -5.940 -5.556 19.555 59 1HG2 VAL 7 HG21 VAL 7 -2.710 -7.559 19.152 60 2HG2 VAL 7 HG22 VAL 7 -2.257 -6.518 20.505 61 3HG2 VAL 7 HG23 VAL 7 -2.967 -5.817 19.047 62 H ARG 8 HN ARG 8 -5.928 -3.781 21.571 63 HA ARG 8 HA ARG 8 -8.278 -5.153 22.719 64 1HB ARG 8 HB2 ARG 8 -8.209 -2.251 21.894 65 2HB ARG 8 HB1 ARG 8 -9.157 -3.006 23.174 66 1HG ARG 8 HG2 ARG 8 -6.136 -2.952 23.266 67 2HG ARG 8 HG1 ARG 8 -7.103 -1.626 23.908 68 1HD ARG 8 HD2 ARG 8 -7.399 -4.525 24.743 69 2HD ARG 8 HD1 ARG 8 -6.480 -3.317 25.645 70 HE ARG 8 HE ARG 8 -9.293 -3.653 25.814 71 1HH1 ARG 8 HH11 ARG 8 -7.331 -1.839 27.421 72 2HH1 ARG 8 HH12 ARG 8 -8.098 -0.302 27.198 73 1HH2 ARG 8 HH21 ARG 8 -10.121 -1.388 24.598 74 2HH2 ARG 8 HH22 ARG 8 -9.681 -0.048 25.604 75 H PHE 9 HN PHE 9 -9.111 -6.406 21.120 76 HA PHE 9 HA PHE 9 -9.234 -5.669 18.346 77 1HB PHE 9 HB2 PHE 9 -10.071 -7.873 20.068 78 2HB PHE 9 HB1 PHE 9 -11.175 -7.594 18.729 79 HD1 PHE 9 HD1 PHE 9 -8.876 -6.608 16.697 80 HD2 PHE 9 HD2 PHE 9 -9.328 -9.938 19.418 81 HE1 PHE 9 HE1 PHE 9 -7.392 -7.994 15.316 82 HE2 PHE 9 HE2 PHE 9 -7.802 -11.275 18.021 83 HZ PHE 9 HZ PHE 9 -6.843 -10.310 15.964 84 H ASN 10 HN ASN 10 -10.390 -3.711 18.063 85 HA ASN 10 HA ASN 10 -12.285 -2.342 17.856 86 1HB ASN 10 HB2 ASN 10 -12.932 -4.944 17.017 87 2HB ASN 10 HB1 ASN 10 -14.289 -4.427 18.019 88 1HD2 ASN 10 HD21 ASN 10 -15.709 -2.857 17.152 89 2HD2 ASN 10 HD22 ASN 10 -15.478 -2.106 15.646 90 H SER 11 HN SER 11 -14.289 -1.629 18.936 91 HA SER 11 HA SER 11 -15.118 -0.801 20.996 92 1HB SER 11 HB2 SER 11 -15.688 -3.764 20.929 93 2HB SER 11 HB1 SER 11 -16.323 -2.727 22.201 94 HG SER 11 HG SER 11 -17.713 -1.953 20.830 95 H SER 12 HN SER 12 -14.740 -3.636 22.862 96 HA SER 12 HA SER 12 -12.277 -2.517 24.116 97 1HB SER 12 HB2 SER 12 -14.896 -3.270 25.369 98 2HB SER 12 HB1 SER 12 -13.412 -3.463 26.297 99 HG SER 12 HG SER 12 -12.970 -1.262 25.893 100 H TYR 13 HN TYR 13 -13.742 -5.174 22.686 101 HA TYR 13 HA TYR 13 -12.929 -7.410 24.155 102 1HB TYR 13 HB2 TYR 13 -12.540 -7.146 21.159 103 2HB TYR 13 HB1 TYR 13 -12.830 -8.627 22.073 104 HD1 TYR 13 HD1 TYR 13 -14.410 -6.726 19.817 105 HD2 TYR 13 HD2 TYR 13 -14.974 -7.978 23.887 106 HE1 TYR 13 HE1 TYR 13 -16.856 -6.395 19.580 107 HE2 TYR 13 HE2 TYR 13 -17.420 -7.644 23.650 108 HH TYR 13 HH TYR 13 -18.799 -6.079 20.866 109 H GLY 14 HN GLY 14 -10.907 -8.648 24.141 110 1HA GLY 14 HA2 GLY 14 -8.553 -7.208 23.064 111 2HA GLY 14 HA1 GLY 14 -8.599 -7.490 24.802 112 H PHE 15 HN PHE 15 -7.326 -8.672 22.046 113 HA PHE 15 HA PHE 15 -7.350 -11.493 23.033 114 1HB PHE 15 HB2 PHE 15 -7.405 -12.226 20.868 115 2HB PHE 15 HB1 PHE 15 -8.076 -10.627 20.552 116 HD1 PHE 15 HD1 PHE 15 -6.793 -8.904 19.448 117 HD2 PHE 15 HD2 PHE 15 -5.008 -12.673 20.506 118 HE1 PHE 15 HE1 PHE 15 -4.799 -8.366 18.077 119 HE2 PHE 15 HE2 PHE 15 -3.030 -12.132 19.108 120 HZ PHE 15 HZ PHE 15 -2.929 -9.973 17.893 121 HA PRO 16 HA PRO 16 -3.121 -10.756 23.950 122 1HB PRO 16 HB2 PRO 16 -2.346 -13.390 24.212 123 2HB PRO 16 HB1 PRO 16 -3.274 -12.507 25.438 124 1HG PRO 16 HG2 PRO 16 -4.206 -14.585 23.507 125 2HG PRO 16 HG1 PRO 16 -4.852 -14.165 25.103 126 1HD PRO 16 HD2 PRO 16 -5.960 -13.380 22.629 127 2HD PRO 16 HD1 PRO 16 -6.353 -12.675 24.211 128 H VAL 17 HN VAL 17 -1.466 -10.293 22.594 129 HA VAL 17 HA VAL 17 -1.081 -11.985 20.156 130 HB VAL 17 HB VAL 17 -1.824 -9.733 19.586 131 1HG1 VAL 17 HG11 VAL 17 -0.015 -7.900 20.268 132 2HG1 VAL 17 HG12 VAL 17 0.237 -9.007 21.618 133 3HG1 VAL 17 HG13 VAL 17 -1.357 -8.307 21.337 134 1HG2 VAL 17 HG21 VAL 17 0.711 -10.861 18.838 135 2HG2 VAL 17 HG22 VAL 17 0.848 -9.103 18.850 136 3HG2 VAL 17 HG23 VAL 17 -0.384 -9.885 17.859 137 H GLU 18 HN GLU 18 1.090 -12.590 19.672 138 HA GLU 18 HA GLU 18 3.020 -11.988 21.869 139 1HB GLU 18 HB2 GLU 18 2.298 -14.436 20.906 140 2HB GLU 18 HB1 GLU 18 3.695 -14.087 19.885 141 1HG GLU 18 HG2 GLU 18 4.990 -13.529 21.971 142 2HG GLU 18 HG1 GLU 18 3.612 -14.098 22.914 143 H VAL 19 HN VAL 19 4.490 -10.403 21.302 144 HA VAL 19 HA VAL 19 5.499 -10.441 18.485 145 HB VAL 19 HB VAL 19 4.794 -8.369 17.984 146 1HG1 VAL 19 HG11 VAL 19 2.783 -7.615 19.278 147 2HG1 VAL 19 HG12 VAL 19 3.131 -8.871 20.466 148 3HG1 VAL 19 HG13 VAL 19 2.716 -9.314 18.811 149 1HG2 VAL 19 HG21 VAL 19 5.549 -7.707 20.833 150 2HG2 VAL 19 HG22 VAL 19 4.790 -6.521 19.769 151 3HG2 VAL 19 HG23 VAL 19 6.360 -7.207 19.347 152 H ASP 20 HN ASP 20 7.521 -9.251 18.230 153 HA ASP 20 HA ASP 20 9.131 -9.260 20.744 154 1HB ASP 20 HB2 ASP 20 10.313 -9.217 17.975 155 2HB ASP 20 HB1 ASP 20 11.005 -9.862 19.465 156 H SER 21 HN SER 21 11.076 -7.601 20.462 157 HA SER 21 HA SER 21 9.909 -4.978 20.362 158 1HB SER 21 HB2 SER 21 12.815 -5.828 20.289 159 2HB SER 21 HB1 SER 21 12.253 -4.182 20.565 160 HG SER 21 HG SER 21 11.908 -6.487 22.167 161 H ASP 22 HN ASP 22 10.746 -7.028 17.848 162 HA ASP 22 HA ASP 22 11.125 -4.716 15.995 163 1HB ASP 22 HB2 ASP 22 12.056 -7.409 15.154 164 2HB ASP 22 HB1 ASP 22 12.781 -5.827 14.865 165 H THR 23 HN THR 23 8.725 -6.485 16.966 166 HA THR 23 HA THR 23 7.797 -7.932 14.662 167 HB THR 23 HB THR 23 6.769 -7.107 17.274 168 HG1 THR 23 HG1 THR 23 5.985 -9.244 15.600 169 1HG2 THR 23 HG21 THR 23 4.932 -7.321 14.894 170 2HG2 THR 23 HG22 THR 23 5.204 -5.884 15.880 171 3HG2 THR 23 HG23 THR 23 4.402 -7.296 16.576 172 H SER 24 HN SER 24 8.199 -4.631 15.192 173 HA SER 24 HA SER 24 7.640 -2.785 13.868 174 1HB SER 24 HB2 SER 24 7.146 -3.130 11.617 175 2HB SER 24 HB1 SER 24 7.880 -4.677 12.038 176 HG SER 24 HG SER 24 5.508 -4.285 11.053 177 H ILE 25 HN ILE 25 4.995 -2.884 12.282 178 HA ILE 25 HA ILE 25 3.085 -3.040 14.542 179 HB ILE 25 HB ILE 25 3.602 -0.567 12.866 180 1HG1 ILE 25 HG12 ILE 25 5.162 -1.013 14.741 181 2HG1 ILE 25 HG11 ILE 25 4.178 0.425 15.024 182 1HG2 ILE 25 HG21 ILE 25 1.277 -1.431 14.524 183 2HG2 ILE 25 HG22 ILE 25 1.346 -0.335 13.138 184 3HG2 ILE 25 HG23 ILE 25 1.831 0.239 14.738 185 1HD1 ILE 25 HD11 ILE 25 2.759 -1.873 15.995 186 2HD1 ILE 25 HD12 ILE 25 3.346 -0.484 16.908 187 3HD1 ILE 25 HD13 ILE 25 4.388 -1.887 16.671 188 H LEU 26 HN LEU 26 3.647 -3.039 11.025 189 HA LEU 26 HA LEU 26 0.743 -3.306 10.533 190 1HB LEU 26 HB2 LEU 26 1.752 -2.263 8.695 191 2HB LEU 26 HB1 LEU 26 3.185 -3.288 8.774 192 HG LEU 26 HG LEU 26 1.463 -3.731 6.908 193 1HD1 LEU 26 HD11 LEU 26 1.708 -6.339 7.996 194 2HD1 LEU 26 HD12 LEU 26 3.120 -5.412 8.521 195 3HD1 LEU 26 HD13 LEU 26 2.750 -5.565 6.798 196 1HD2 LEU 26 HD21 LEU 26 -0.020 -5.598 8.579 197 2HD2 LEU 26 HD22 LEU 26 -0.630 -4.393 7.453 198 3HD2 LEU 26 HD23 LEU 26 -0.261 -3.936 9.111 199 H GLN 27 HN GLN 27 3.713 -5.058 10.762 200 HA GLN 27 HA GLN 27 2.777 -7.691 10.143 201 1HB GLN 27 HB2 GLN 27 5.132 -6.396 11.035 202 2HB GLN 27 HB1 GLN 27 4.753 -7.600 12.277 203 1HG GLN 27 HG2 GLN 27 4.293 -8.967 9.895 204 2HG GLN 27 HG1 GLN 27 5.729 -8.002 9.544 205 1HE2 GLN 27 HE21 GLN 27 4.472 -9.990 12.295 206 2HE2 GLN 27 HE22 GLN 27 5.966 -10.720 12.635 207 H LEU 28 HN LEU 28 2.744 -5.539 12.874 208 HA LEU 28 HA LEU 28 1.619 -7.370 14.838 209 1HB LEU 28 HB2 LEU 28 2.836 -5.193 15.333 210 2HB LEU 28 HB1 LEU 28 1.459 -4.330 14.661 211 HG LEU 28 HG LEU 28 1.362 -4.456 17.132 212 1HD1 LEU 28 HD11 LEU 28 -0.839 -6.241 16.309 213 2HD1 LEU 28 HD12 LEU 28 -0.628 -4.778 15.348 214 3HD1 LEU 28 HD13 LEU 28 -0.895 -4.660 17.088 215 1HD2 LEU 28 HD21 LEU 28 2.399 -6.942 16.856 216 2HD2 LEU 28 HD22 LEU 28 0.691 -7.353 17.021 217 3HD2 LEU 28 HD23 LEU 28 1.505 -6.436 18.290 218 H LYS 29 HN LYS 29 0.396 -5.110 12.409 219 HA LYS 29 HA LYS 29 -2.398 -5.370 13.118 220 1HB LYS 29 HB2 LYS 29 -0.876 -4.312 10.761 221 2HB LYS 29 HB1 LYS 29 -2.590 -4.670 10.562 222 1HG LYS 29 HG2 LYS 29 -3.137 -2.746 11.560 223 2HG LYS 29 HG1 LYS 29 -2.224 -3.203 13.006 224 1HD LYS 29 HD2 LYS 29 -0.156 -2.481 11.657 225 2HD LYS 29 HD1 LYS 29 -1.280 -1.683 10.576 226 1HE LYS 29 HE2 LYS 29 -2.195 -0.528 12.701 227 2HE LYS 29 HE1 LYS 29 -0.737 -1.135 13.486 228 1HZ LYS 29 HZ1 LYS 29 -0.125 0.949 12.726 229 2HZ LYS 29 HZ2 LYS 29 -0.973 0.788 11.263 230 3HZ LYS 29 HZ3 LYS 29 0.467 -0.079 11.514 231 H GLU 30 HN GLU 30 -0.103 -7.307 11.424 232 HA GLU 30 HA GLU 30 -1.984 -8.771 9.781 233 1HB GLU 30 HB2 GLU 30 0.892 -9.157 10.590 234 2HB GLU 30 HB1 GLU 30 0.020 -10.449 9.763 235 1HG GLU 30 HG2 GLU 30 -0.424 -7.874 8.481 236 2HG GLU 30 HG1 GLU 30 1.291 -8.275 8.551 237 H VAL 31 HN VAL 31 -0.196 -9.599 12.773 238 HA VAL 31 HA VAL 31 -1.509 -12.114 13.228 239 HB VAL 31 HB VAL 31 -0.134 -10.110 15.052 240 1HG1 VAL 31 HG11 VAL 31 -0.290 -11.718 16.857 241 2HG1 VAL 31 HG12 VAL 31 -1.083 -12.894 15.810 242 3HG1 VAL 31 HG13 VAL 31 -1.925 -11.415 16.272 243 1HG2 VAL 31 HG21 VAL 31 0.926 -11.816 13.246 244 2HG2 VAL 31 HG22 VAL 31 0.813 -12.902 14.631 245 3HG2 VAL 31 HG23 VAL 31 1.737 -11.404 14.756 246 H VAL 32 HN VAL 32 -2.157 -8.859 14.514 247 HA VAL 32 HA VAL 32 -4.525 -9.583 15.971 248 HB VAL 32 HB VAL 32 -3.803 -6.960 14.602 249 1HG1 VAL 32 HG11 VAL 32 -5.256 -5.987 16.407 250 2HG1 VAL 32 HG12 VAL 32 -5.760 -7.625 16.823 251 3HG1 VAL 32 HG13 VAL 32 -6.130 -6.961 15.226 252 1HG2 VAL 32 HG21 VAL 32 -3.160 -8.042 17.360 253 2HG2 VAL 32 HG22 VAL 32 -2.941 -6.355 16.892 254 3HG2 VAL 32 HG23 VAL 32 -2.015 -7.624 16.086 255 H ALA 33 HN ALA 33 -3.831 -8.758 12.633 256 HA ALA 33 HA ALA 33 -6.559 -8.474 11.806 257 1HB ALA 33 HB1 ALA 33 -3.918 -8.850 10.450 258 2HB ALA 33 HB2 ALA 33 -5.143 -7.610 10.185 259 3HB ALA 33 HB3 ALA 33 -5.358 -9.223 9.512 260 H LYS 34 HN LYS 34 -4.436 -11.214 12.288 261 HA LYS 34 HA LYS 34 -5.886 -13.176 10.775 262 1HB LYS 34 HB2 LYS 34 -4.394 -13.784 13.338 263 2HB LYS 34 HB1 LYS 34 -4.568 -14.803 11.908 264 1HG LYS 34 HG2 LYS 34 -2.972 -12.276 12.182 265 2HG LYS 34 HG1 LYS 34 -2.336 -13.896 11.957 266 1HD LYS 34 HD2 LYS 34 -4.263 -13.202 9.883 267 2HD LYS 34 HD1 LYS 34 -2.908 -12.073 9.919 268 1HE LYS 34 HE2 LYS 34 -2.416 -15.038 10.063 269 2HE LYS 34 HE1 LYS 34 -2.675 -14.253 8.503 270 1HZ LYS 34 HZ1 LYS 34 -0.837 -12.851 10.210 271 2HZ LYS 34 HZ2 LYS 34 -0.679 -13.295 8.579 272 3HZ LYS 34 HZ3 LYS 34 -0.308 -14.410 9.805 273 H ARG 35 HN ARG 35 -5.883 -12.414 14.239 274 HA ARG 35 HA ARG 35 -8.083 -14.191 14.828 275 1HB ARG 35 HB2 ARG 35 -6.572 -12.077 16.315 276 2HB ARG 35 HB1 ARG 35 -8.119 -12.640 16.964 277 1HG ARG 35 HG2 ARG 35 -6.879 -14.296 17.900 278 2HG ARG 35 HG1 ARG 35 -6.939 -15.010 16.287 279 1HD ARG 35 HD2 ARG 35 -4.834 -13.868 15.698 280 2HD ARG 35 HD1 ARG 35 -4.770 -13.157 17.312 281 HE ARG 35 HE ARG 35 -4.460 -15.447 18.210 282 1HH1 ARG 35 HH11 ARG 35 -5.529 -16.800 15.676 283 2HH1 ARG 35 HH12 ARG 35 -4.065 -17.440 15.007 284 1HH2 ARG 35 HH21 ARG 35 -1.993 -15.490 16.988 285 2HH2 ARG 35 HH22 ARG 35 -2.063 -16.699 15.750 286 H GLN 36 HN GLN 36 -7.964 -10.884 13.698 287 HA GLN 36 HA GLN 36 -10.673 -10.269 14.616 288 1HB GLN 36 HB2 GLN 36 -8.466 -8.816 13.485 289 2HB GLN 36 HB1 GLN 36 -9.922 -8.485 12.550 290 1HG GLN 36 HG2 GLN 36 -10.232 -8.511 15.502 291 2HG GLN 36 HG1 GLN 36 -9.324 -7.160 14.823 292 1HE2 GLN 36 HE21 GLN 36 -10.675 -6.746 12.389 293 2HE2 GLN 36 HE22 GLN 36 -12.284 -6.304 12.699 294 H GLY 37 HN GLY 37 -9.346 -11.916 11.922 295 1HA GLY 37 HA2 GLY 37 -10.562 -13.062 10.225 296 2HA GLY 37 HA1 GLY 37 -12.030 -12.248 10.776 297 H VAL 38 HN VAL 38 -9.242 -10.322 10.264 298 HA VAL 38 HA VAL 38 -10.098 -9.510 7.530 299 HB VAL 38 HB VAL 38 -10.817 -7.458 8.147 300 1HG1 VAL 38 HG11 VAL 38 -12.024 -8.669 9.836 301 2HG1 VAL 38 HG12 VAL 38 -11.400 -7.213 10.610 302 3HG1 VAL 38 HG13 VAL 38 -10.601 -8.764 10.873 303 1HG2 VAL 38 HG21 VAL 38 -8.491 -7.403 10.097 304 2HG2 VAL 38 HG22 VAL 38 -9.524 -6.024 9.716 305 3HG2 VAL 38 HG23 VAL 38 -8.496 -6.727 8.468 306 HA PRO 39 HA PRO 39 -5.839 -9.052 6.864 307 1HB PRO 39 HB2 PRO 39 -5.897 -7.033 4.996 308 2HB PRO 39 HB1 PRO 39 -6.388 -8.703 4.665 309 1HG PRO 39 HG2 PRO 39 -8.099 -6.292 5.018 310 2HG PRO 39 HG1 PRO 39 -8.445 -7.796 4.152 311 1HD PRO 39 HD2 PRO 39 -9.397 -7.086 6.722 312 2HD PRO 39 HD1 PRO 39 -9.514 -8.682 5.948 313 H ALA 40 HN ALA 40 -4.060 -7.908 7.582 314 HA ALA 40 HA ALA 40 -4.193 -6.008 9.633 315 1HB ALA 40 HB1 ALA 40 -2.209 -7.395 8.546 316 2HB ALA 40 HB2 ALA 40 -1.901 -5.944 9.497 317 3HB ALA 40 HB3 ALA 40 -1.910 -5.854 7.734 318 H ASP 41 HN ASP 41 -4.556 -5.515 6.230 319 HA ASP 41 HA ASP 41 -3.782 -2.785 6.069 320 1HB ASP 41 HB2 ASP 41 -4.428 -4.445 4.175 321 2HB ASP 41 HB1 ASP 41 -6.083 -3.921 4.482 322 H GLN 42 HN GLN 42 -7.118 -4.098 6.336 323 HA GLN 42 HA GLN 42 -8.323 -1.574 7.012 324 1HB GLN 42 HB2 GLN 42 -9.278 -4.318 7.890 325 2HB GLN 42 HB1 GLN 42 -10.256 -2.867 7.658 326 1HG GLN 42 HG2 GLN 42 -10.173 -3.005 5.337 327 2HG GLN 42 HG1 GLN 42 -8.660 -3.910 5.342 328 1HE2 GLN 42 HE21 GLN 42 -9.945 -5.413 3.837 329 2HE2 GLN 42 HE22 GLN 42 -10.920 -6.603 4.556 330 H LEU 43 HN LEU 43 -7.120 -4.276 8.891 331 HA LEU 43 HA LEU 43 -7.750 -3.303 11.506 332 1HB LEU 43 HB2 LEU 43 -6.798 -5.608 10.419 333 2HB LEU 43 HB1 LEU 43 -5.325 -4.950 11.132 334 HG LEU 43 HG LEU 43 -6.893 -4.528 13.205 335 1HD1 LEU 43 HD11 LEU 43 -8.926 -5.310 11.918 336 2HD1 LEU 43 HD12 LEU 43 -8.653 -6.205 13.424 337 3HD1 LEU 43 HD13 LEU 43 -8.206 -6.919 11.873 338 1HD2 LEU 43 HD21 LEU 43 -6.420 -7.278 13.398 339 2HD2 LEU 43 HD22 LEU 43 -5.316 -5.989 13.877 340 3HD2 LEU 43 HD23 LEU 43 -5.203 -6.690 12.257 341 H ARG 44 HN ARG 44 -6.473 -2.108 12.977 342 HA ARG 44 HA ARG 44 -3.749 -1.404 12.243 343 1HB ARG 44 HB2 ARG 44 -5.915 0.432 11.657 344 2HB ARG 44 HB1 ARG 44 -4.667 1.146 12.689 345 1HG ARG 44 HG2 ARG 44 -3.311 1.318 10.897 346 2HG ARG 44 HG1 ARG 44 -3.324 -0.450 10.765 347 1HD ARG 44 HD2 ARG 44 -4.085 0.543 8.657 348 2HD ARG 44 HD1 ARG 44 -5.418 -0.305 9.438 349 HE ARG 44 HE ARG 44 -6.517 1.772 9.335 350 1HH1 ARG 44 HH11 ARG 44 -4.034 3.000 7.964 351 2HH1 ARG 44 HH12 ARG 44 -3.737 4.351 9.006 352 1HH2 ARG 44 HH21 ARG 44 -5.783 3.176 11.549 353 2HH2 ARG 44 HH22 ARG 44 -4.720 4.445 11.040 354 H VAL 45 HN VAL 45 -2.703 -1.687 14.014 355 HA VAL 45 HA VAL 45 -4.011 -1.321 16.623 356 HB VAL 45 HB VAL 45 -1.175 -2.239 16.359 357 1HG1 VAL 45 HG11 VAL 45 -2.657 -4.074 17.799 358 2HG1 VAL 45 HG12 VAL 45 -3.526 -2.574 18.119 359 3HG1 VAL 45 HG13 VAL 45 -1.811 -2.698 18.504 360 1HG2 VAL 45 HG21 VAL 45 -1.770 -3.587 14.624 361 2HG2 VAL 45 HG22 VAL 45 -3.499 -3.397 14.923 362 3HG2 VAL 45 HG23 VAL 45 -2.568 -4.546 15.871 363 H ILE 46 HN ILE 46 -3.833 0.581 17.602 364 HA ILE 46 HA ILE 46 -1.324 2.154 17.219 365 HB ILE 46 HB ILE 46 -4.151 3.118 17.765 366 1HG1 ILE 46 HG12 ILE 46 -2.647 4.024 15.385 367 2HG1 ILE 46 HG11 ILE 46 -3.011 2.293 15.382 368 1HG2 ILE 46 HG21 ILE 46 -2.002 5.015 17.002 369 2HG2 ILE 46 HG22 ILE 46 -1.862 4.337 18.625 370 3HG2 ILE 46 HG23 ILE 46 -3.319 5.214 18.159 371 1HD1 ILE 46 HD11 ILE 46 -4.760 4.363 14.665 372 2HD1 ILE 46 HD12 ILE 46 -5.300 3.870 16.269 373 3HD1 ILE 46 HD13 ILE 46 -5.197 2.682 14.970 374 H PHE 47 HN PHE 47 -0.131 2.220 19.052 375 HA PHE 47 HA PHE 47 -1.257 1.136 21.534 376 1HB PHE 47 HB2 PHE 47 0.858 0.349 21.184 377 2HB PHE 47 HB1 PHE 47 1.440 1.883 20.523 378 HD1 PHE 47 HD1 PHE 47 0.724 -0.041 23.510 379 HD2 PHE 47 HD2 PHE 47 1.893 3.806 22.001 380 HE1 PHE 47 HE1 PHE 47 1.536 0.605 25.785 381 HE2 PHE 47 HE2 PHE 47 2.717 4.452 24.262 382 HZ PHE 47 HZ PHE 47 2.533 2.851 26.151 383 H ALA 48 HN ALA 48 -1.927 2.256 23.244 384 HA ALA 48 HA ALA 48 -2.298 4.011 24.739 385 1HB ALA 48 HB1 ALA 48 0.154 3.867 24.953 386 2HB ALA 48 HB2 ALA 48 -0.412 5.529 25.123 387 3HB ALA 48 HB3 ALA 48 0.328 4.998 23.612 388 H GLY 49 HN GLY 49 -2.668 4.375 21.568 389 1HA GLY 49 HA2 GLY 49 -4.177 5.992 20.613 390 2HA GLY 49 HA1 GLY 49 -3.774 7.096 21.928 391 H LYS 50 HN LYS 50 -0.909 5.739 20.727 392 HA LYS 50 HA LYS 50 -0.411 8.264 19.252 393 1HB LYS 50 HB2 LYS 50 1.183 6.513 20.894 394 2HB LYS 50 HB1 LYS 50 1.915 6.634 19.294 395 1HG LYS 50 HG2 LYS 50 2.774 8.616 19.950 396 2HG LYS 50 HG1 LYS 50 1.130 9.251 19.894 397 1HD LYS 50 HD2 LYS 50 1.029 8.064 22.305 398 2HD LYS 50 HD1 LYS 50 2.757 8.413 22.244 399 1HE LYS 50 HE2 LYS 50 0.532 10.433 21.822 400 2HE LYS 50 HE1 LYS 50 1.525 10.283 23.272 401 1HZ LYS 50 HZ1 LYS 50 2.798 10.645 20.641 402 2HZ LYS 50 HZ2 LYS 50 3.393 11.037 22.184 403 3HZ LYS 50 HZ3 LYS 50 2.177 11.987 21.472 404 H GLU 51 HN GLU 51 -0.300 8.287 17.058 405 HA GLU 51 HA GLU 51 -0.929 5.865 15.573 406 1HB GLU 51 HB2 GLU 51 -1.468 8.421 15.056 407 2HB GLU 51 HB1 GLU 51 0.080 8.335 14.212 408 1HG GLU 51 HG2 GLU 51 -0.711 6.425 12.898 409 2HG GLU 51 HG1 GLU 51 -2.242 6.437 13.774 410 H LEU 52 HN LEU 52 0.622 4.360 15.161 411 HA LEU 52 HA LEU 52 3.432 5.302 14.889 412 1HB LEU 52 HB2 LEU 52 2.823 2.397 14.982 413 2HB LEU 52 HB1 LEU 52 4.120 3.300 15.765 414 HG LEU 52 HG LEU 52 1.213 3.254 16.595 415 1HD1 LEU 52 HD11 LEU 52 2.379 1.229 17.251 416 2HD1 LEU 52 HD12 LEU 52 2.200 2.248 18.680 417 3HD1 LEU 52 HD13 LEU 52 3.751 2.166 17.842 418 1HD2 LEU 52 HD21 LEU 52 2.495 4.499 18.614 419 2HD2 LEU 52 HD22 LEU 52 1.827 5.389 17.247 420 3HD2 LEU 52 HD23 LEU 52 3.539 4.993 17.279 421 HA PRO 53 HA PRO 53 3.286 4.270 10.614 422 1HB PRO 53 HB2 PRO 53 5.997 4.233 10.194 423 2HB PRO 53 HB1 PRO 53 5.048 5.726 10.320 424 1HG PRO 53 HG2 PRO 53 6.901 4.512 12.305 425 2HG PRO 53 HG1 PRO 53 6.426 6.204 12.112 426 1HD PRO 53 HD2 PRO 53 5.434 4.408 14.074 427 2HD PRO 53 HD1 PRO 53 4.742 5.992 13.662 428 H ASN 54 HN ASN 54 3.115 2.294 9.696 429 HA ASN 54 HA ASN 54 3.433 -0.120 11.017 430 1HB ASN 54 HB2 ASN 54 3.864 0.180 8.035 431 2HB ASN 54 HB1 ASN 54 3.156 -1.183 8.895 432 1HD2 ASN 54 HD21 ASN 54 1.728 1.000 10.666 433 2HD2 ASN 54 HD22 ASN 54 0.392 1.434 9.715 434 H HIS 55 HN HIS 55 5.905 1.525 9.028 435 HA HIS 55 HA HIS 55 7.720 -0.707 9.049 436 1HB HIS 55 HB2 HIS 55 9.348 0.807 8.110 437 2HB HIS 55 HB1 HIS 55 7.780 1.174 7.392 438 HD1 HIS 55 HD1 HIS 55 7.116 3.570 7.471 439 HD2 HIS 55 HD2 HIS 55 9.897 2.654 10.438 440 HE1 HIS 55 HE1 HIS 55 7.663 5.750 8.637 441 H LEU 56 HN LEU 56 7.298 1.983 11.333 442 HA LEU 56 HA LEU 56 9.791 1.778 12.657 443 1HB LEU 56 HB2 LEU 56 7.058 2.640 13.469 444 2HB LEU 56 HB1 LEU 56 8.209 2.291 14.762 445 HG LEU 56 HG LEU 56 8.698 4.176 12.437 446 1HD1 LEU 56 HD11 LEU 56 7.941 5.855 13.745 447 2HD1 LEU 56 HD12 LEU 56 8.820 5.250 15.150 448 3HD1 LEU 56 HD13 LEU 56 7.225 4.602 14.761 449 1HD2 LEU 56 HD21 LEU 56 10.517 2.767 14.072 450 2HD2 LEU 56 HD22 LEU 56 10.496 4.422 14.680 451 3HD2 LEU 56 HD23 LEU 56 10.877 4.110 12.989 452 H THR 57 HN THR 57 10.183 0.676 14.815 453 HA THR 57 HA THR 57 9.298 -2.126 14.572 454 HB THR 57 HB THR 57 10.997 -2.113 16.695 455 HG1 THR 57 HG1 THR 57 12.499 -0.485 15.202 456 1HG2 THR 57 HG21 THR 57 12.333 -3.274 15.254 457 2HG2 THR 57 HG22 THR 57 12.286 -2.002 14.033 458 3HG2 THR 57 HG23 THR 57 10.935 -3.126 14.187 459 H VAL 58 HN VAL 58 8.919 -3.295 16.713 460 HA VAL 58 HA VAL 58 6.574 -2.253 17.943 461 HB VAL 58 HB VAL 58 8.471 -4.505 18.621 462 1HG1 VAL 58 HG11 VAL 58 6.014 -3.588 20.146 463 2HG1 VAL 58 HG12 VAL 58 7.661 -3.703 20.767 464 3HG1 VAL 58 HG13 VAL 58 6.769 -5.167 20.353 465 1HG2 VAL 58 HG21 VAL 58 7.116 -5.294 16.936 466 2HG2 VAL 58 HG22 VAL 58 5.835 -4.129 17.283 467 3HG2 VAL 58 HG23 VAL 58 6.006 -5.574 18.280 468 H GLN 59 HN GLN 59 9.968 -2.241 19.009 469 HA GLN 59 HA GLN 59 9.250 -0.869 21.526 470 1HB GLN 59 HB2 GLN 59 11.625 -2.139 20.332 471 2HB GLN 59 HB1 GLN 59 11.963 -0.736 21.342 472 1HG GLN 59 HG2 GLN 59 10.463 -1.794 23.109 473 2HG GLN 59 HG1 GLN 59 10.489 -3.262 22.128 474 1HE2 GLN 59 HE21 GLN 59 11.605 -4.040 24.280 475 2HE2 GLN 59 HE22 GLN 59 13.294 -3.883 24.340 476 H ASN 60 HN ASN 60 9.023 0.271 18.661 477 HA ASN 60 HA ASN 60 10.882 2.557 18.791 478 1HB ASN 60 HB2 ASN 60 9.512 1.222 16.705 479 2HB ASN 60 HB1 ASN 60 8.881 2.868 16.747 480 1HD2 ASN 60 HD21 ASN 60 10.840 4.553 17.187 481 2HD2 ASN 60 HD22 ASN 60 12.196 4.312 16.195 482 H CYS 61 HN CYS 61 7.328 2.330 18.391 483 HA CYS 61 HA CYS 61 6.947 5.057 19.294 484 1HB CYS 61 HB2 CYS 61 4.891 4.726 18.455 485 2HB CYS 61 HB1 CYS 61 5.368 3.075 18.057 486 HG CYS 61 HG CYS 61 3.859 3.902 20.665 487 H ASP 62 HN ASP 62 7.456 2.076 20.826 488 HA ASP 62 HA ASP 62 8.006 2.014 23.205 489 1HB ASP 62 HB2 ASP 62 7.246 4.375 23.576 490 2HB ASP 62 HB1 ASP 62 5.579 3.796 23.566 491 H LEU 63 HN LEU 63 6.440 0.411 21.315 492 HA LEU 63 HA LEU 63 4.050 -0.469 22.792 493 1HB LEU 63 HB2 LEU 63 5.503 -1.863 20.555 494 2HB LEU 63 HB1 LEU 63 3.861 -2.177 21.114 495 HG LEU 63 HG LEU 63 4.211 0.628 20.595 496 1HD1 LEU 63 HD11 LEU 63 5.924 -0.008 19.067 497 2HD1 LEU 63 HD12 LEU 63 4.485 0.344 18.109 498 3HD1 LEU 63 HD13 LEU 63 4.953 -1.330 18.427 499 1HD2 LEU 63 HD21 LEU 63 2.136 -0.877 20.718 500 2HD2 LEU 63 HD22 LEU 63 2.541 -1.377 19.072 501 3HD2 LEU 63 HD23 LEU 63 2.172 0.315 19.416 502 H GLU 64 HN GLU 64 7.238 -1.839 22.018 503 HA GLU 64 HA GLU 64 8.484 -3.536 23.068 504 1HB GLU 64 HB2 GLU 64 7.088 -2.678 25.596 505 2HB GLU 64 HB1 GLU 64 8.738 -3.267 25.404 506 1HG GLU 64 HG2 GLU 64 8.605 -1.027 23.737 507 2HG GLU 64 HG1 GLU 64 7.712 -0.550 25.181 508 H GLN 65 HN GLN 65 7.765 -5.031 25.392 509 HA GLN 65 HA GLN 65 5.691 -6.782 24.184 510 1HB GLN 65 HB2 GLN 65 6.987 -7.645 26.706 511 2HB GLN 65 HB1 GLN 65 6.715 -8.549 25.219 512 1HG GLN 65 HG2 GLN 65 8.828 -8.183 24.533 513 2HG GLN 65 HG1 GLN 65 8.694 -6.454 24.795 514 1HE2 GLN 65 HE21 GLN 65 9.213 -5.627 26.976 515 2HE2 GLN 65 HE22 GLN 65 10.168 -6.546 28.035 516 H GLN 66 HN GLN 66 3.633 -6.811 25.075 517 HA GLN 66 HA GLN 66 1.940 -6.505 26.705 518 1HB GLN 66 HB2 GLN 66 3.874 -6.978 28.405 519 2HB GLN 66 HB1 GLN 66 3.966 -5.225 28.550 520 1HG GLN 66 HG2 GLN 66 1.317 -6.628 28.792 521 2HG GLN 66 HG1 GLN 66 2.404 -6.536 30.178 522 1HE2 GLN 66 HE21 GLN 66 -0.005 -5.188 30.422 523 2HE2 GLN 66 HE22 GLN 66 0.239 -3.513 30.305 524 H SER 67 HN SER 67 0.755 -4.850 25.857 525 HA SER 67 HA SER 67 1.301 -2.080 26.466 526 1HB SER 67 HB2 SER 67 2.709 -3.154 24.272 527 2HB SER 67 HB1 SER 67 1.380 -2.231 23.582 528 HG SER 67 HG SER 67 2.840 -1.135 25.706 529 H ILE 68 HN ILE 68 -0.708 -1.145 26.406 530 HA ILE 68 HA ILE 68 -2.847 -2.746 25.254 531 HB ILE 68 HB ILE 68 -2.526 -0.481 27.112 532 1HG1 ILE 68 HG12 ILE 68 -4.165 -1.669 28.354 533 2HG1 ILE 68 HG11 ILE 68 -4.729 -2.524 26.925 534 1HG2 ILE 68 HG21 ILE 68 -3.841 0.558 25.300 535 2HG2 ILE 68 HG22 ILE 68 -4.800 0.349 26.766 536 3HG2 ILE 68 HG23 ILE 68 -5.003 -0.765 25.411 537 1HD1 ILE 68 HD11 ILE 68 -2.095 -3.296 26.946 538 2HD1 ILE 68 HD12 ILE 68 -3.394 -4.200 27.724 539 3HD1 ILE 68 HD13 ILE 68 -2.405 -3.091 28.671 540 H VAL 69 HN VAL 69 -3.326 -2.565 23.178 541 HA VAL 69 HA VAL 69 -2.719 -0.013 21.764 542 HB VAL 69 HB VAL 69 -3.118 -2.156 19.919 543 1HG1 VAL 69 HG11 VAL 69 -0.599 -1.726 19.596 544 2HG1 VAL 69 HG12 VAL 69 -0.761 -0.530 20.879 545 3HG1 VAL 69 HG13 VAL 69 -1.675 -0.346 19.383 546 1HG2 VAL 69 HG21 VAL 69 -1.379 -2.822 22.307 547 2HG2 VAL 69 HG22 VAL 69 -1.163 -3.591 20.735 548 3HG2 VAL 69 HG23 VAL 69 -2.681 -3.786 21.612 549 H HIS 70 HN HIS 70 -4.266 0.313 19.819 550 HA HIS 70 HA HIS 70 -6.997 -0.713 20.434 551 1HB HIS 70 HB2 HIS 70 -6.244 2.059 19.432 552 2HB HIS 70 HB1 HIS 70 -7.886 1.477 19.722 553 HD1 HIS 70 HD1 HIS 70 -4.750 2.518 21.519 554 HD2 HIS 70 HD2 HIS 70 -8.628 1.306 22.465 555 HE1 HIS 70 HE1 HIS 70 -5.056 2.959 23.996 556 H ILE 71 HN ILE 71 -7.388 -2.122 18.776 557 HA ILE 71 HA ILE 71 -6.237 -1.688 16.143 558 HB ILE 71 HB ILE 71 -6.526 -3.882 15.849 559 1HG1 ILE 71 HG12 ILE 71 -8.792 -4.872 16.848 560 2HG1 ILE 71 HG11 ILE 71 -9.285 -3.221 16.546 561 1HG2 ILE 71 HG21 ILE 71 -7.586 -4.455 18.494 562 2HG2 ILE 71 HG22 ILE 71 -6.141 -3.443 18.494 563 3HG2 ILE 71 HG23 ILE 71 -6.126 -5.008 17.703 564 1HD1 ILE 71 HD11 ILE 71 -8.303 -3.393 14.258 565 2HD1 ILE 71 HD12 ILE 71 -9.642 -4.522 14.515 566 3HD1 ILE 71 HD13 ILE 71 -7.972 -5.096 14.586 567 H VAL 72 HN VAL 72 -7.335 -1.153 14.285 568 HA VAL 72 HA VAL 72 -10.242 -0.567 14.546 569 HB VAL 72 HB VAL 72 -9.442 1.450 12.904 570 1HG1 VAL 72 HG11 VAL 72 -9.754 2.922 14.822 571 2HG1 VAL 72 HG12 VAL 72 -9.443 1.589 15.935 572 3HG1 VAL 72 HG13 VAL 72 -10.896 1.583 14.934 573 1HG2 VAL 72 HG21 VAL 72 -7.353 2.300 13.431 574 2HG2 VAL 72 HG22 VAL 72 -7.029 0.577 13.619 575 3HG2 VAL 72 HG23 VAL 72 -7.348 1.574 15.039 576 H GLN 73 HN GLN 73 -11.396 -0.964 12.609 577 HA GLN 73 HA GLN 73 -9.742 -2.143 10.417 578 1HB GLN 73 HB2 GLN 73 -11.203 -3.773 11.586 579 2HB GLN 73 HB1 GLN 73 -12.607 -2.798 11.141 580 1HG GLN 73 HG2 GLN 73 -11.918 -3.045 8.730 581 2HG GLN 73 HG1 GLN 73 -10.679 -4.186 9.256 582 1HE2 GLN 73 HE21 GLN 73 -14.050 -3.791 10.448 583 2HE2 GLN 73 HE22 GLN 73 -14.528 -5.378 10.080 584 H ARG 74 HN ARG 74 -9.878 -1.180 8.463 585 HA ARG 74 HA ARG 74 -11.997 0.884 8.075 586 1HB ARG 74 HB2 ARG 74 -9.645 0.549 6.238 587 2HB ARG 74 HB1 ARG 74 -10.529 2.017 6.656 588 1HG ARG 74 HG2 ARG 74 -8.822 0.490 8.635 589 2HG ARG 74 HG1 ARG 74 -8.223 1.847 7.680 590 1HD ARG 74 HD2 ARG 74 -10.144 3.215 8.603 591 2HD ARG 74 HD1 ARG 74 -10.469 1.880 9.709 592 HE ARG 74 HE ARG 74 -8.245 2.280 10.713 593 1HH1 ARG 74 HH11 ARG 74 -8.534 4.235 7.986 594 2HH1 ARG 74 HH12 ARG 74 -7.923 5.670 8.738 595 1HH2 ARG 74 HH21 ARG 74 -7.812 4.280 11.911 596 2HH2 ARG 74 HH22 ARG 74 -7.517 5.698 10.961 597 HA PRO 75 HA PRO 75 -13.834 -1.464 4.866 598 1HB PRO 75 HB2 PRO 75 -14.653 0.566 3.202 599 2HB PRO 75 HB1 PRO 75 -15.467 0.139 4.730 600 1HG PRO 75 HG2 PRO 75 -13.708 2.445 4.114 601 2HG PRO 75 HG1 PRO 75 -14.956 2.287 5.354 602 1HD PRO 75 HD2 PRO 75 -12.160 2.126 5.775 603 2HD PRO 75 HD1 PRO 75 -13.424 1.668 6.938 604 H ARG 76 HN ARG 76 -13.544 -2.133 2.611 605 HA ARG 76 HA ARG 76 -10.880 -1.830 1.579 606 1HB ARG 76 HB2 ARG 76 -13.368 -3.125 0.749 607 2HB ARG 76 HB1 ARG 76 -12.562 -2.359 -0.618 608 1HG ARG 76 HG2 ARG 76 -11.193 -4.230 1.335 609 2HG ARG 76 HG1 ARG 76 -11.824 -4.723 -0.238 610 1HD ARG 76 HD2 ARG 76 -10.295 -3.301 -1.403 611 2HD ARG 76 HD1 ARG 76 -9.838 -2.465 0.080 612 HE ARG 76 HE ARG 76 -8.164 -4.112 0.211 613 1HH1 ARG 76 HH11 ARG 76 -10.654 -5.333 -1.745 614 2HH1 ARG 76 HH12 ARG 76 -10.293 -6.999 -1.437 615 1HH2 ARG 76 HH21 ARG 76 -7.893 -6.310 0.969 616 2HH2 ARG 76 HH22 ARG 76 -8.735 -7.552 0.102 617 H ARG 77 HN ARG 77 -10.565 -0.602 -0.671 618 HA ARG 77 HA ARG 77 -11.190 2.128 -0.249 619 1HB ARG 77 HB2 ARG 77 -10.542 0.595 -2.777 620 2HB ARG 77 HB1 ARG 77 -10.755 2.345 -2.766 621 1HG ARG 77 HG2 ARG 77 -8.737 2.692 -1.796 622 2HG ARG 77 HG1 ARG 77 -8.979 1.383 -0.637 623 1HD ARG 77 HD2 ARG 77 -8.697 0.179 -3.194 624 2HD ARG 77 HD1 ARG 77 -7.402 1.366 -3.037 625 HE ARG 77 HE ARG 77 -7.357 -1.122 -1.767 626 1HH1 ARG 77 HH11 ARG 77 -5.961 1.858 -1.512 627 2HH1 ARG 77 HH12 ARG 77 -5.582 1.762 0.175 628 1HH2 ARG 77 HH21 ARG 77 -7.458 -1.110 0.700 629 2HH2 ARG 77 HH22 ARG 77 -6.428 0.078 1.428 630 H ARG 78 HN ARG 78 -13.455 2.304 0.292 631 HA ARG 78 HA ARG 78 -15.756 2.438 -0.168 632 1HB ARG 78 HB2 ARG 78 -15.025 2.939 -3.038 633 2HB ARG 78 HB1 ARG 78 -16.249 3.735 -2.047 634 1HG ARG 78 HG2 ARG 78 -13.275 3.987 -1.529 635 2HG ARG 78 HG1 ARG 78 -14.185 5.135 -2.510 636 1HD ARG 78 HD2 ARG 78 -15.109 6.118 -0.692 637 2HD ARG 78 HD1 ARG 78 -15.473 4.565 0.061 638 HE ARG 78 HE ARG 78 -12.758 4.756 0.400 639 1HH1 ARG 78 HH11 ARG 78 -13.189 7.751 0.176 640 2HH1 ARG 78 HH12 ARG 78 -13.403 8.190 1.839 641 1HH2 ARG 78 HH21 ARG 78 -13.989 4.943 2.900 642 2HH2 ARG 78 HH22 ARG 78 -13.865 6.604 3.376 Start of MODEL 4 1 1H MET 1 HT1 MET 1 13.140 -15.179 24.676 2 2H MET 1 HT2 MET 1 12.263 -14.482 23.399 3 3H MET 1 HT3 MET 1 11.527 -15.632 24.411 4 HA MET 1 HA MET 1 11.409 -14.179 26.214 5 1HB MET 1 HB2 MET 1 13.836 -13.260 25.236 6 2HB MET 1 HB1 MET 1 12.763 -11.882 25.000 7 1HG MET 1 HG2 MET 1 12.675 -11.463 27.213 8 2HG MET 1 HG1 MET 1 12.317 -13.149 27.583 9 1HE MET 1 HE1 MET 1 15.970 -11.190 26.321 10 2HE MET 1 HE2 MET 1 15.836 -10.649 27.992 11 3HE MET 1 HE3 MET 1 14.472 -10.447 26.895 12 H GLY 2 HN GLY 2 11.097 -11.299 25.541 13 1HA GLY 2 HA2 GLY 2 9.597 -9.866 24.405 14 2HA GLY 2 HA1 GLY 2 9.255 -11.187 23.275 15 H MET 3 HN MET 3 7.359 -9.414 24.646 16 HA MET 3 HA MET 3 5.872 -11.477 26.212 17 1HB MET 3 HB2 MET 3 6.844 -9.401 27.436 18 2HB MET 3 HB1 MET 3 5.534 -8.523 26.650 19 1HG MET 3 HG2 MET 3 4.033 -9.328 28.110 20 2HG MET 3 HG1 MET 3 4.554 -10.987 27.818 21 1HE MET 3 HE1 MET 3 6.633 -11.792 28.363 22 2HE MET 3 HE2 MET 3 6.918 -12.045 30.084 23 3HE MET 3 HE3 MET 3 7.893 -10.875 29.199 24 H ILE 4 HN ILE 4 3.517 -10.934 26.336 25 HA ILE 4 HA ILE 4 2.396 -10.681 23.666 26 HB ILE 4 HB ILE 4 1.615 -11.753 26.170 27 1HG1 ILE 4 HG12 ILE 4 -0.327 -12.580 24.860 28 2HG1 ILE 4 HG11 ILE 4 0.114 -11.502 23.540 29 1HG2 ILE 4 HG21 ILE 4 0.650 -9.526 26.637 30 2HG2 ILE 4 HG22 ILE 4 -0.619 -10.734 26.428 31 3HG2 ILE 4 HG23 ILE 4 -0.247 -9.609 25.121 32 1HD1 ILE 4 HD11 ILE 4 1.787 -12.868 22.851 33 2HD1 ILE 4 HD12 ILE 4 0.960 -14.094 23.814 34 3HD1 ILE 4 HD13 ILE 4 2.315 -13.198 24.502 35 H VAL 5 HN VAL 5 1.334 -8.867 22.839 36 HA VAL 5 HA VAL 5 1.447 -6.422 24.510 37 HB VAL 5 HB VAL 5 0.341 -6.189 21.801 38 1HG1 VAL 5 HG11 VAL 5 1.200 -4.112 22.033 39 2HG1 VAL 5 HG12 VAL 5 2.792 -4.736 22.464 40 3HG1 VAL 5 HG13 VAL 5 1.546 -4.568 23.700 41 1HG2 VAL 5 HG21 VAL 5 1.970 -7.966 21.332 42 2HG2 VAL 5 HG22 VAL 5 3.218 -7.086 22.210 43 3HG2 VAL 5 HG23 VAL 5 2.578 -6.438 20.699 44 H PHE 6 HN PHE 6 -0.580 -5.222 24.793 45 HA PHE 6 HA PHE 6 -2.877 -7.076 24.833 46 1HB PHE 6 HB2 PHE 6 -2.187 -5.479 26.771 47 2HB PHE 6 HB1 PHE 6 -2.984 -4.232 25.803 48 HD1 PHE 6 HD1 PHE 6 -5.111 -3.806 26.707 49 HD2 PHE 6 HD2 PHE 6 -3.736 -7.864 26.330 50 HE1 PHE 6 HE1 PHE 6 -7.327 -4.633 27.462 51 HE2 PHE 6 HE2 PHE 6 -5.950 -8.683 27.089 52 HZ PHE 6 HZ PHE 6 -7.745 -7.069 27.653 53 H VAL 7 HN VAL 7 -3.949 -7.173 22.927 54 HA VAL 7 HA VAL 7 -4.182 -4.707 21.305 55 HB VAL 7 HB VAL 7 -4.519 -7.630 20.793 56 1HG1 VAL 7 HG11 VAL 7 -6.553 -7.227 19.823 57 2HG1 VAL 7 HG12 VAL 7 -5.576 -6.590 18.499 58 3HG1 VAL 7 HG13 VAL 7 -6.266 -5.498 19.697 59 1HG2 VAL 7 HG21 VAL 7 -3.239 -7.025 18.778 60 2HG2 VAL 7 HG22 VAL 7 -2.449 -6.347 20.206 61 3HG2 VAL 7 HG23 VAL 7 -3.421 -5.310 19.156 62 H ARG 8 HN ARG 8 -5.889 -3.412 21.886 63 HA ARG 8 HA ARG 8 -8.275 -4.644 23.053 64 1HB ARG 8 HB2 ARG 8 -8.191 -1.814 22.013 65 2HB ARG 8 HB1 ARG 8 -9.081 -2.454 23.392 66 1HG ARG 8 HG2 ARG 8 -6.055 -2.251 23.294 67 2HG ARG 8 HG1 ARG 8 -7.095 -1.032 24.022 68 1HD ARG 8 HD2 ARG 8 -7.083 -3.949 24.839 69 2HD ARG 8 HD1 ARG 8 -6.170 -2.690 25.673 70 HE ARG 8 HE ARG 8 -9.131 -2.953 25.646 71 1HH1 ARG 8 HH11 ARG 8 -7.352 -2.902 28.128 72 2HH1 ARG 8 HH12 ARG 8 -7.633 -1.294 28.705 73 1HH2 ARG 8 HH21 ARG 8 -9.024 -0.180 25.731 74 2HH2 ARG 8 HH22 ARG 8 -8.580 0.244 27.350 75 H PHE 9 HN PHE 9 -8.993 -6.030 21.462 76 HA PHE 9 HA PHE 9 -9.218 -5.373 18.673 77 1HB PHE 9 HB2 PHE 9 -9.773 -7.577 20.458 78 2HB PHE 9 HB1 PHE 9 -11.110 -7.358 19.339 79 HD1 PHE 9 HD1 PHE 9 -9.346 -9.732 19.563 80 HD2 PHE 9 HD2 PHE 9 -8.951 -6.234 17.030 81 HE1 PHE 9 HE1 PHE 9 -8.108 -11.060 17.893 82 HE2 PHE 9 HE2 PHE 9 -7.781 -7.603 15.398 83 HZ PHE 9 HZ PHE 9 -7.327 -9.998 15.804 84 H ASN 10 HN ASN 10 -10.605 -3.763 17.992 85 HA ASN 10 HA ASN 10 -12.593 -2.539 17.731 86 1HB ASN 10 HB2 ASN 10 -13.719 -4.589 17.232 87 2HB ASN 10 HB1 ASN 10 -13.671 -5.107 18.917 88 1HD2 ASN 10 HD21 ASN 10 -14.615 -1.920 17.530 89 2HD2 ASN 10 HD22 ASN 10 -16.176 -1.927 18.196 90 H SER 11 HN SER 11 -13.873 -4.103 20.602 91 HA SER 11 HA SER 11 -12.932 -2.062 22.446 92 1HB SER 11 HB2 SER 11 -14.781 -0.967 20.985 93 2HB SER 11 HB1 SER 11 -15.893 -1.991 21.886 94 HG SER 11 HG SER 11 -15.406 0.193 22.748 95 H SER 12 HN SER 12 -15.921 -4.003 22.050 96 HA SER 12 HA SER 12 -15.867 -4.869 24.811 97 1HB SER 12 HB2 SER 12 -17.411 -6.045 22.484 98 2HB SER 12 HB1 SER 12 -17.769 -6.267 24.194 99 HG SER 12 HG SER 12 -19.042 -4.607 23.654 100 H TYR 13 HN TYR 13 -13.939 -5.749 22.262 101 HA TYR 13 HA TYR 13 -13.711 -8.579 23.182 102 1HB TYR 13 HB2 TYR 13 -12.613 -7.230 20.697 103 2HB TYR 13 HB1 TYR 13 -12.420 -8.935 21.099 104 HD1 TYR 13 HD1 TYR 13 -15.437 -8.488 22.472 105 HD2 TYR 13 HD2 TYR 13 -13.662 -8.325 18.562 106 HE1 TYR 13 HE1 TYR 13 -17.640 -8.983 21.452 107 HE2 TYR 13 HE2 TYR 13 -15.867 -8.823 17.543 108 HH TYR 13 HH TYR 13 -17.970 -9.667 18.034 109 H GLY 14 HN GLY 14 -11.052 -8.978 22.316 110 1HA GLY 14 HA2 GLY 14 -9.031 -7.268 23.015 111 2HA GLY 14 HA1 GLY 14 -9.614 -7.829 24.585 112 H PHE 15 HN PHE 15 -7.377 -8.502 22.214 113 HA PHE 15 HA PHE 15 -7.179 -11.306 23.193 114 1HB PHE 15 HB2 PHE 15 -7.391 -12.217 21.132 115 2HB PHE 15 HB1 PHE 15 -8.099 -10.670 20.663 116 HD1 PHE 15 HD1 PHE 15 -6.809 -8.995 19.427 117 HD2 PHE 15 HD2 PHE 15 -5.068 -12.739 20.648 118 HE1 PHE 15 HE1 PHE 15 -4.861 -8.586 17.966 119 HE2 PHE 15 HE2 PHE 15 -3.131 -12.325 19.160 120 HZ PHE 15 HZ PHE 15 -3.027 -10.247 17.819 121 HA PRO 16 HA PRO 16 -2.995 -9.967 23.722 122 1HB PRO 16 HB2 PRO 16 -2.018 -12.410 24.516 123 2HB PRO 16 HB1 PRO 16 -2.943 -11.331 25.576 124 1HG PRO 16 HG2 PRO 16 -3.797 -13.863 24.255 125 2HG PRO 16 HG1 PRO 16 -4.422 -13.099 25.726 126 1HD PRO 16 HD2 PRO 16 -5.634 -13.029 23.164 127 2HD PRO 16 HD1 PRO 16 -6.080 -12.030 24.565 128 H VAL 17 HN VAL 17 -1.345 -9.814 22.237 129 HA VAL 17 HA VAL 17 -1.094 -11.969 20.176 130 HB VAL 17 HB VAL 17 -1.745 -9.860 19.170 131 1HG1 VAL 17 HG11 VAL 17 -1.251 -8.190 20.720 132 2HG1 VAL 17 HG12 VAL 17 0.009 -7.929 19.514 133 3HG1 VAL 17 HG13 VAL 17 0.379 -8.801 21.004 134 1HG2 VAL 17 HG21 VAL 17 -0.053 -11.129 17.932 135 2HG2 VAL 17 HG22 VAL 17 1.233 -10.367 18.870 136 3HG2 VAL 17 HG23 VAL 17 0.261 -9.402 17.757 137 H GLU 18 HN GLU 18 1.105 -12.611 19.627 138 HA GLU 18 HA GLU 18 3.045 -11.962 21.801 139 1HB GLU 18 HB2 GLU 18 2.311 -14.401 20.849 140 2HB GLU 18 HB1 GLU 18 3.698 -14.067 19.811 141 1HG GLU 18 HG2 GLU 18 5.006 -14.753 21.514 142 2HG GLU 18 HG1 GLU 18 4.538 -13.279 22.359 143 H VAL 19 HN VAL 19 4.581 -10.425 21.271 144 HA VAL 19 HA VAL 19 5.649 -10.493 18.490 145 HB VAL 19 HB VAL 19 4.920 -8.430 17.867 146 1HG1 VAL 19 HG11 VAL 19 2.915 -7.604 19.290 147 2HG1 VAL 19 HG12 VAL 19 3.165 -9.049 20.259 148 3HG1 VAL 19 HG13 VAL 19 2.777 -9.192 18.543 149 1HG2 VAL 19 HG21 VAL 19 5.611 -7.672 20.710 150 2HG2 VAL 19 HG22 VAL 19 4.817 -6.536 19.619 151 3HG2 VAL 19 HG23 VAL 19 6.410 -7.180 19.213 152 H ASP 20 HN ASP 20 7.658 -9.297 18.272 153 HA ASP 20 HA ASP 20 9.168 -9.222 20.838 154 1HB ASP 20 HB2 ASP 20 10.448 -9.047 18.118 155 2HB ASP 20 HB1 ASP 20 11.113 -9.696 19.618 156 H SER 21 HN SER 21 11.044 -7.457 20.608 157 HA SER 21 HA SER 21 9.711 -4.890 20.456 158 1HB SER 21 HB2 SER 21 12.594 -5.718 20.779 159 2HB SER 21 HB1 SER 21 12.092 -4.032 20.758 160 HG SER 21 HG SER 21 10.462 -5.044 22.415 161 H ASP 22 HN ASP 22 10.724 -6.865 18.011 162 HA ASP 22 HA ASP 22 11.580 -4.587 16.297 163 1HB ASP 22 HB2 ASP 22 12.350 -6.503 14.751 164 2HB ASP 22 HB1 ASP 22 13.271 -6.229 16.232 165 H THR 23 HN THR 23 8.877 -6.633 16.844 166 HA THR 23 HA THR 23 7.882 -7.187 14.293 167 HB THR 23 HB THR 23 5.774 -6.022 15.950 168 HG1 THR 23 HG1 THR 23 7.552 -7.892 17.105 169 1HG2 THR 23 HG21 THR 23 6.388 -8.922 15.417 170 2HG2 THR 23 HG22 THR 23 5.714 -7.871 14.172 171 3HG2 THR 23 HG23 THR 23 4.813 -8.166 15.660 172 H SER 24 HN SER 24 7.263 -5.971 12.566 173 HA SER 24 HA SER 24 7.860 -3.143 12.555 174 1HB SER 24 HB2 SER 24 6.379 -4.693 10.440 175 2HB SER 24 HB1 SER 24 7.311 -3.213 10.222 176 HG SER 24 HG SER 24 9.080 -4.638 11.183 177 H ILE 25 HN ILE 25 5.305 -4.506 13.869 178 HA ILE 25 HA ILE 25 3.277 -3.681 14.638 179 HB ILE 25 HB ILE 25 4.259 -1.284 13.133 180 1HG1 ILE 25 HG12 ILE 25 5.644 -1.699 14.988 181 2HG1 ILE 25 HG11 ILE 25 4.517 -0.459 15.533 182 1HG2 ILE 25 HG21 ILE 25 2.117 -0.564 13.227 183 2HG2 ILE 25 HG22 ILE 25 2.422 -0.345 14.955 184 3HG2 ILE 25 HG23 ILE 25 1.650 -1.824 14.374 185 1HD1 ILE 25 HD11 ILE 25 4.643 -2.138 17.269 186 2HD1 ILE 25 HD12 ILE 25 4.384 -3.434 16.106 187 3HD1 ILE 25 HD13 ILE 25 3.075 -2.311 16.482 188 H LEU 26 HN LEU 26 3.891 -3.480 11.093 189 HA LEU 26 HA LEU 26 0.976 -3.460 10.653 190 1HB LEU 26 HB2 LEU 26 2.136 -2.373 8.883 191 2HB LEU 26 HB1 LEU 26 3.353 -3.649 8.795 192 HG LEU 26 HG LEU 26 1.492 -3.629 7.009 193 1HD1 LEU 26 HD11 LEU 26 2.888 -5.689 8.406 194 2HD1 LEU 26 HD12 LEU 26 2.393 -5.661 6.707 195 3HD1 LEU 26 HD13 LEU 26 1.299 -6.306 7.933 196 1HD2 LEU 26 HD21 LEU 26 -0.218 -5.292 8.733 197 2HD2 LEU 26 HD22 LEU 26 -0.670 -4.015 7.610 198 3HD2 LEU 26 HD23 LEU 26 -0.159 -3.604 9.241 199 H GLN 27 HN GLN 27 3.778 -5.462 10.773 200 HA GLN 27 HA GLN 27 2.689 -7.983 9.995 201 1HB GLN 27 HB2 GLN 27 5.057 -6.857 11.224 202 2HB GLN 27 HB1 GLN 27 4.550 -8.286 12.140 203 1HG GLN 27 HG2 GLN 27 5.014 -8.185 9.139 204 2HG GLN 27 HG1 GLN 27 6.095 -8.923 10.323 205 1HE2 GLN 27 HE21 GLN 27 3.765 -9.963 11.947 206 2HE2 GLN 27 HE22 GLN 27 3.168 -11.286 11.066 207 H LEU 28 HN LEU 28 2.747 -6.018 12.859 208 HA LEU 28 HA LEU 28 1.482 -7.804 14.733 209 1HB LEU 28 HB2 LEU 28 2.712 -5.573 15.177 210 2HB LEU 28 HB1 LEU 28 1.268 -4.774 14.586 211 HG LEU 28 HG LEU 28 1.172 -4.856 16.989 212 1HD1 LEU 28 HD11 LEU 28 -0.837 -5.503 15.396 213 2HD1 LEU 28 HD12 LEU 28 -1.002 -5.609 17.154 214 3HD1 LEU 28 HD13 LEU 28 -0.671 -7.059 16.210 215 1HD2 LEU 28 HD21 LEU 28 0.875 -7.589 17.571 216 2HD2 LEU 28 HD22 LEU 28 2.226 -6.544 18.012 217 3HD2 LEU 28 HD23 LEU 28 2.292 -7.482 16.521 218 H LYS 29 HN LYS 29 0.399 -5.423 12.365 219 HA LYS 29 HA LYS 29 -2.422 -5.675 12.912 220 1HB LYS 29 HB2 LYS 29 -0.767 -4.524 10.686 221 2HB LYS 29 HB1 LYS 29 -2.502 -4.738 10.454 222 1HG LYS 29 HG2 LYS 29 -2.946 -2.926 11.683 223 2HG LYS 29 HG1 LYS 29 -1.995 -3.554 13.039 224 1HD LYS 29 HD2 LYS 29 0.057 -2.739 11.841 225 2HD LYS 29 HD1 LYS 29 -0.980 -1.965 10.656 226 1HE LYS 29 HE2 LYS 29 -2.068 -0.801 12.724 227 2HE LYS 29 HE1 LYS 29 -0.612 -1.327 13.571 228 1HZ LYS 29 HZ1 LYS 29 0.742 -0.136 12.050 229 2HZ LYS 29 HZ2 LYS 29 -0.473 0.929 12.575 230 3HZ LYS 29 HZ3 LYS 29 -0.575 0.212 11.039 231 H GLU 30 HN GLU 30 -0.123 -7.595 11.159 232 HA GLU 30 HA GLU 30 -2.054 -8.868 9.407 233 1HB GLU 30 HB2 GLU 30 0.793 -9.472 10.201 234 2HB GLU 30 HB1 GLU 30 -0.145 -10.628 9.255 235 1HG GLU 30 HG2 GLU 30 -0.657 -8.292 7.917 236 2HG GLU 30 HG1 GLU 30 1.004 -8.038 8.451 237 H VAL 31 HN VAL 31 -0.361 -9.877 12.393 238 HA VAL 31 HA VAL 31 -1.763 -12.379 12.702 239 HB VAL 31 HB VAL 31 -0.168 -10.570 14.512 240 1HG1 VAL 31 HG11 VAL 31 -1.943 -11.348 15.962 241 2HG1 VAL 31 HG12 VAL 31 -0.510 -12.315 16.309 242 3HG1 VAL 31 HG13 VAL 31 -1.811 -12.989 15.328 243 1HG2 VAL 31 HG21 VAL 31 1.475 -12.034 14.003 244 2HG2 VAL 31 HG22 VAL 31 0.383 -12.745 12.815 245 3HG2 VAL 31 HG23 VAL 31 0.465 -13.409 14.447 246 H VAL 32 HN VAL 32 -2.279 -9.165 14.181 247 HA VAL 32 HA VAL 32 -4.622 -9.928 15.646 248 HB VAL 32 HB VAL 32 -3.861 -7.234 14.457 249 1HG1 VAL 32 HG11 VAL 32 -5.836 -7.924 16.668 250 2HG1 VAL 32 HG12 VAL 32 -6.254 -7.391 15.040 251 3HG1 VAL 32 HG13 VAL 32 -5.413 -6.297 16.131 252 1HG2 VAL 32 HG21 VAL 32 -3.138 -6.832 16.872 253 2HG2 VAL 32 HG22 VAL 32 -2.141 -7.949 15.940 254 3HG2 VAL 32 HG23 VAL 32 -3.299 -8.571 17.107 255 H ALA 33 HN ALA 33 -3.969 -8.905 12.366 256 HA ALA 33 HA ALA 33 -6.672 -8.531 11.534 257 1HB ALA 33 HB1 ALA 33 -5.174 -7.690 9.947 258 2HB ALA 33 HB2 ALA 33 -5.525 -9.258 9.223 259 3HB ALA 33 HB3 ALA 33 -4.049 -9.031 10.154 260 H LYS 34 HN LYS 34 -4.643 -11.346 11.959 261 HA LYS 34 HA LYS 34 -6.162 -13.258 10.452 262 1HB LYS 34 HB2 LYS 34 -4.694 -13.883 13.028 263 2HB LYS 34 HB1 LYS 34 -4.944 -14.938 11.634 264 1HG LYS 34 HG2 LYS 34 -3.269 -12.445 11.705 265 2HG LYS 34 HG1 LYS 34 -2.651 -14.086 11.714 266 1HD LYS 34 HD2 LYS 34 -4.516 -13.297 9.511 267 2HD LYS 34 HD1 LYS 34 -2.845 -12.734 9.431 268 1HE LYS 34 HE2 LYS 34 -2.153 -14.772 8.773 269 2HE LYS 34 HE1 LYS 34 -2.872 -15.505 10.207 270 1HZ LYS 34 HZ1 LYS 34 -4.907 -14.790 8.399 271 2HZ LYS 34 HZ2 LYS 34 -4.484 -16.335 8.969 272 3HZ LYS 34 HZ3 LYS 34 -3.741 -15.707 7.576 273 H ARG 35 HN ARG 35 -6.118 -12.569 13.926 274 HA ARG 35 HA ARG 35 -8.305 -14.285 14.600 275 1HB ARG 35 HB2 ARG 35 -6.961 -11.961 15.946 276 2HB ARG 35 HB1 ARG 35 -8.407 -12.684 16.656 277 1HG ARG 35 HG2 ARG 35 -6.975 -14.162 17.605 278 2HG ARG 35 HG1 ARG 35 -6.914 -14.902 16.005 279 1HD ARG 35 HD2 ARG 35 -4.964 -13.544 15.414 280 2HD ARG 35 HD1 ARG 35 -5.049 -12.717 16.973 281 HE ARG 35 HE ARG 35 -4.755 -15.194 17.875 282 1HH1 ARG 35 HH11 ARG 35 -4.086 -16.119 15.060 283 2HH1 ARG 35 HH12 ARG 35 -2.356 -16.079 15.095 284 1HH2 ARG 35 HH21 ARG 35 -2.196 -14.091 17.932 285 2HH2 ARG 35 HH22 ARG 35 -1.285 -14.921 16.715 286 H GLN 36 HN GLN 36 -8.274 -10.929 13.489 287 HA GLN 36 HA GLN 36 -11.073 -10.512 14.236 288 1HB GLN 36 HB2 GLN 36 -8.902 -8.930 13.011 289 2HB GLN 36 HB1 GLN 36 -10.521 -8.537 12.430 290 1HG GLN 36 HG2 GLN 36 -10.126 -8.869 15.374 291 2HG GLN 36 HG1 GLN 36 -9.529 -7.393 14.617 292 1HE2 GLN 36 HE21 GLN 36 -11.060 -5.755 14.372 293 2HE2 GLN 36 HE22 GLN 36 -12.742 -5.985 14.394 294 H GLY 37 HN GLY 37 -9.557 -12.170 11.725 295 1HA GLY 37 HA2 GLY 37 -10.476 -13.152 9.781 296 2HA GLY 37 HA1 GLY 37 -12.058 -12.556 10.306 297 H VAL 38 HN VAL 38 -9.567 -10.256 10.288 298 HA VAL 38 HA VAL 38 -10.487 -9.116 7.679 299 HB VAL 38 HB VAL 38 -10.352 -6.909 8.721 300 1HG1 VAL 38 HG11 VAL 38 -12.512 -7.713 9.080 301 2HG1 VAL 38 HG12 VAL 38 -11.990 -7.425 10.741 302 3HG1 VAL 38 HG13 VAL 38 -11.953 -9.058 10.077 303 1HG2 VAL 38 HG21 VAL 38 -9.243 -8.531 11.020 304 2HG2 VAL 38 HG22 VAL 38 -9.964 -6.942 11.293 305 3HG2 VAL 38 HG23 VAL 38 -8.551 -7.099 10.250 306 HA PRO 39 HA PRO 39 -6.254 -8.845 6.699 307 1HB PRO 39 HB2 PRO 39 -6.385 -6.716 4.959 308 2HB PRO 39 HB1 PRO 39 -6.949 -8.350 4.563 309 1HG PRO 39 HG2 PRO 39 -8.553 -5.918 5.196 310 2HG PRO 39 HG1 PRO 39 -9.008 -7.347 4.257 311 1HD PRO 39 HD2 PRO 39 -9.761 -6.795 6.928 312 2HD PRO 39 HD1 PRO 39 -9.967 -8.336 6.068 313 H ALA 40 HN ALA 40 -4.392 -7.766 7.350 314 HA ALA 40 HA ALA 40 -4.351 -5.958 9.492 315 1HB ALA 40 HB1 ALA 40 -2.104 -6.024 9.243 316 2HB ALA 40 HB2 ALA 40 -2.191 -5.609 7.525 317 3HB ALA 40 HB3 ALA 40 -2.472 -7.275 8.056 318 H ASP 41 HN ASP 41 -5.007 -5.345 6.155 319 HA ASP 41 HA ASP 41 -4.277 -2.607 6.004 320 1HB ASP 41 HB2 ASP 41 -6.345 -4.284 4.588 321 2HB ASP 41 HB1 ASP 41 -6.213 -2.555 4.265 322 H GLN 42 HN GLN 42 -7.591 -3.918 6.480 323 HA GLN 42 HA GLN 42 -8.741 -1.443 7.354 324 1HB GLN 42 HB2 GLN 42 -9.565 -4.228 8.235 325 2HB GLN 42 HB1 GLN 42 -10.583 -2.785 8.169 326 1HG GLN 42 HG2 GLN 42 -10.079 -2.721 5.655 327 2HG GLN 42 HG1 GLN 42 -9.442 -4.354 5.852 328 1HE2 GLN 42 HE21 GLN 42 -12.389 -2.435 5.780 329 2HE2 GLN 42 HE22 GLN 42 -13.466 -3.741 5.908 330 H LEU 43 HN LEU 43 -7.542 -4.231 9.088 331 HA LEU 43 HA LEU 43 -7.891 -3.294 11.749 332 1HB LEU 43 HB2 LEU 43 -7.269 -5.618 10.592 333 2HB LEU 43 HB1 LEU 43 -5.640 -5.090 11.006 334 HG LEU 43 HG LEU 43 -6.829 -4.564 13.335 335 1HD1 LEU 43 HD11 LEU 43 -8.993 -5.515 12.162 336 2HD1 LEU 43 HD12 LEU 43 -8.634 -6.003 13.834 337 3HD1 LEU 43 HD13 LEU 43 -8.247 -7.083 12.492 338 1HD2 LEU 43 HD21 LEU 43 -5.283 -6.107 13.881 339 2HD2 LEU 43 HD22 LEU 43 -5.157 -6.531 12.171 340 3HD2 LEU 43 HD23 LEU 43 -6.299 -7.382 13.214 341 H ARG 44 HN ARG 44 -6.477 -2.102 13.113 342 HA ARG 44 HA ARG 44 -3.738 -1.667 12.228 343 1HB ARG 44 HB2 ARG 44 -5.773 0.325 11.682 344 2HB ARG 44 HB1 ARG 44 -4.411 0.965 12.613 345 1HG ARG 44 HG2 ARG 44 -3.247 1.030 10.675 346 2HG ARG 44 HG1 ARG 44 -3.227 -0.741 10.745 347 1HD ARG 44 HD2 ARG 44 -4.274 -0.543 8.715 348 2HD ARG 44 HD1 ARG 44 -5.707 -0.343 9.722 349 HE ARG 44 HE ARG 44 -5.285 2.162 9.491 350 1HH1 ARG 44 HH11 ARG 44 -2.718 2.098 8.039 351 2HH1 ARG 44 HH12 ARG 44 -3.206 2.238 6.384 352 1HH2 ARG 44 HH21 ARG 44 -6.501 1.356 6.997 353 2HH2 ARG 44 HH22 ARG 44 -5.344 1.819 5.794 354 H VAL 45 HN VAL 45 -2.630 -1.992 13.953 355 HA VAL 45 HA VAL 45 -3.717 -1.479 16.620 356 HB VAL 45 HB VAL 45 -0.888 -2.331 16.151 357 1HG1 VAL 45 HG11 VAL 45 -1.957 -4.061 17.913 358 2HG1 VAL 45 HG12 VAL 45 -3.085 -2.724 18.135 359 3HG1 VAL 45 HG13 VAL 45 -1.359 -2.475 18.402 360 1HG2 VAL 45 HG21 VAL 45 -1.532 -3.923 14.699 361 2HG2 VAL 45 HG22 VAL 45 -3.246 -3.603 14.969 362 3HG2 VAL 45 HG23 VAL 45 -2.371 -4.680 16.051 363 H ILE 46 HN ILE 46 -3.428 0.388 17.627 364 HA ILE 46 HA ILE 46 -1.016 2.025 16.977 365 HB ILE 46 HB ILE 46 -3.811 2.913 17.783 366 1HG1 ILE 46 HG12 ILE 46 -2.382 3.763 15.290 367 2HG1 ILE 46 HG11 ILE 46 -3.038 2.121 15.328 368 1HG2 ILE 46 HG21 ILE 46 -1.183 4.365 17.539 369 2HG2 ILE 46 HG22 ILE 46 -2.413 4.514 18.790 370 3HG2 ILE 46 HG23 ILE 46 -2.688 5.213 17.195 371 1HD1 ILE 46 HD11 ILE 46 -4.605 4.664 15.916 372 2HD1 ILE 46 HD12 ILE 46 -5.259 3.026 15.919 373 3HD1 ILE 46 HD13 ILE 46 -4.682 3.743 14.414 374 H PHE 47 HN PHE 47 -0.005 3.004 18.941 375 HA PHE 47 HA PHE 47 -0.763 1.382 21.327 376 1HB PHE 47 HB2 PHE 47 1.456 0.915 20.886 377 2HB PHE 47 HB1 PHE 47 1.812 2.580 20.400 378 HD1 PHE 47 HD1 PHE 47 1.090 0.356 23.266 379 HD2 PHE 47 HD2 PHE 47 2.244 4.305 22.006 380 HE1 PHE 47 HE1 PHE 47 1.754 0.913 25.602 381 HE2 PHE 47 HE2 PHE 47 2.916 4.854 24.337 382 HZ PHE 47 HZ PHE 47 2.664 3.159 26.133 383 H ALA 48 HN ALA 48 -1.779 2.342 22.930 384 HA ALA 48 HA ALA 48 -2.502 3.948 24.457 385 1HB ALA 48 HB1 ALA 48 -0.791 5.111 25.539 386 2HB ALA 48 HB2 ALA 48 0.117 5.343 24.044 387 3HB ALA 48 HB3 ALA 48 0.062 3.752 24.805 388 H GLY 49 HN GLY 49 -2.338 4.757 21.326 389 1HA GLY 49 HA2 GLY 49 -3.958 6.585 20.727 390 2HA GLY 49 HA1 GLY 49 -3.142 7.570 21.936 391 H LYS 50 HN LYS 50 -0.504 6.201 20.759 392 HA LYS 50 HA LYS 50 -0.235 8.325 18.693 393 1HB LYS 50 HB2 LYS 50 1.784 6.624 20.176 394 2HB LYS 50 HB1 LYS 50 2.227 7.676 18.832 395 1HG LYS 50 HG2 LYS 50 2.528 9.199 20.515 396 2HG LYS 50 HG1 LYS 50 0.788 9.422 20.310 397 1HD LYS 50 HD2 LYS 50 0.390 7.708 22.070 398 2HD LYS 50 HD1 LYS 50 2.132 7.580 22.308 399 1HE LYS 50 HE2 LYS 50 1.845 9.212 23.858 400 2HE LYS 50 HE1 LYS 50 1.736 10.297 22.471 401 1HZ LYS 50 HZ1 LYS 50 -0.418 10.626 22.833 402 2HZ LYS 50 HZ2 LYS 50 -0.202 9.880 24.343 403 3HZ LYS 50 HZ3 LYS 50 -0.736 8.969 23.014 404 H GLU 51 HN GLU 51 -0.697 7.684 16.667 405 HA GLU 51 HA GLU 51 -0.969 5.011 15.789 406 1HB GLU 51 HB2 GLU 51 -1.929 6.834 14.513 407 2HB GLU 51 HB1 GLU 51 -0.334 7.534 14.234 408 1HG GLU 51 HG2 GLU 51 0.310 5.787 12.784 409 2HG GLU 51 HG1 GLU 51 -0.980 4.725 13.352 410 H LEU 52 HN LEU 52 0.625 3.486 15.656 411 HA LEU 52 HA LEU 52 3.436 4.327 15.447 412 1HB LEU 52 HB2 LEU 52 2.578 1.464 15.217 413 2HB LEU 52 HB1 LEU 52 4.021 2.129 15.974 414 HG LEU 52 HG LEU 52 1.210 2.418 17.048 415 1HD1 LEU 52 HD11 LEU 52 3.058 0.933 18.697 416 2HD1 LEU 52 HD12 LEU 52 2.927 0.191 17.102 417 3HD1 LEU 52 HD13 LEU 52 1.479 0.441 18.080 418 1HD2 LEU 52 HD21 LEU 52 2.095 3.927 18.486 419 2HD2 LEU 52 HD22 LEU 52 3.591 3.874 17.556 420 3HD2 LEU 52 HD23 LEU 52 3.365 2.794 18.931 421 HA PRO 53 HA PRO 53 3.358 3.799 11.033 422 1HB PRO 53 HB2 PRO 53 6.059 4.146 10.675 423 2HB PRO 53 HB1 PRO 53 4.923 5.488 10.884 424 1HG PRO 53 HG2 PRO 53 6.871 4.358 12.831 425 2HG PRO 53 HG1 PRO 53 6.228 6.000 12.727 426 1HD PRO 53 HD2 PRO 53 5.399 4.035 14.566 427 2HD PRO 53 HD1 PRO 53 4.504 5.517 14.166 428 H ASN 54 HN ASN 54 3.482 1.867 9.937 429 HA ASN 54 HA ASN 54 4.301 -0.521 11.229 430 1HB ASN 54 HB2 ASN 54 4.236 -0.241 8.218 431 2HB ASN 54 HB1 ASN 54 3.784 -1.632 9.206 432 1HD2 ASN 54 HD21 ASN 54 2.091 -0.157 7.207 433 2HD2 ASN 54 HD22 ASN 54 0.734 0.383 8.073 434 H HIS 55 HN HIS 55 6.141 1.697 9.150 435 HA HIS 55 HA HIS 55 8.297 -0.173 8.701 436 1HB HIS 55 HB2 HIS 55 9.617 1.908 8.093 437 2HB HIS 55 HB1 HIS 55 8.142 1.653 7.167 438 HD1 HIS 55 HD1 HIS 55 6.253 3.358 7.444 439 HD2 HIS 55 HD2 HIS 55 9.470 4.074 9.997 440 HE1 HIS 55 HE1 HIS 55 5.888 5.664 8.425 441 H LEU 56 HN LEU 56 7.451 1.878 11.381 442 HA LEU 56 HA LEU 56 10.147 1.818 12.533 443 1HB LEU 56 HB2 LEU 56 7.454 2.750 13.505 444 2HB LEU 56 HB1 LEU 56 8.786 2.550 14.645 445 HG LEU 56 HG LEU 56 8.790 4.294 12.161 446 1HD1 LEU 56 HD11 LEU 56 9.503 5.723 14.489 447 2HD1 LEU 56 HD12 LEU 56 8.099 4.752 14.932 448 3HD1 LEU 56 HD13 LEU 56 8.007 5.867 13.569 449 1HD2 LEU 56 HD21 LEU 56 11.028 3.974 12.185 450 2HD2 LEU 56 HD22 LEU 56 10.954 3.100 13.715 451 3HD2 LEU 56 HD23 LEU 56 11.044 4.861 13.709 452 H THR 57 HN THR 57 10.397 0.753 14.773 453 HA THR 57 HA THR 57 9.341 -1.995 14.504 454 HB THR 57 HB THR 57 11.090 -2.149 16.569 455 HG1 THR 57 HG1 THR 57 12.849 -0.739 15.679 456 1HG2 THR 57 HG21 THR 57 12.400 -2.024 13.939 457 2HG2 THR 57 HG22 THR 57 10.912 -2.975 13.951 458 3HG2 THR 57 HG23 THR 57 12.235 -3.384 15.049 459 H VAL 58 HN VAL 58 8.953 -3.134 16.681 460 HA VAL 58 HA VAL 58 6.653 -2.017 17.892 461 HB VAL 58 HB VAL 58 8.528 -4.248 18.691 462 1HG1 VAL 58 HG11 VAL 58 7.646 -3.321 20.773 463 2HG1 VAL 58 HG12 VAL 58 6.821 -4.840 20.420 464 3HG1 VAL 58 HG13 VAL 58 6.012 -3.303 20.109 465 1HG2 VAL 58 HG21 VAL 58 6.274 -5.480 18.252 466 2HG2 VAL 58 HG22 VAL 58 7.178 -4.871 16.865 467 3HG2 VAL 58 HG23 VAL 58 5.782 -3.978 17.467 468 H GLN 59 HN GLN 59 10.032 -2.041 19.008 469 HA GLN 59 HA GLN 59 9.323 -0.556 21.456 470 1HB GLN 59 HB2 GLN 59 11.784 -1.740 20.264 471 2HB GLN 59 HB1 GLN 59 11.965 -0.474 21.476 472 1HG GLN 59 HG2 GLN 59 10.294 -1.850 22.891 473 2HG GLN 59 HG1 GLN 59 10.644 -3.172 21.777 474 1HE2 GLN 59 HE21 GLN 59 13.446 -2.617 21.341 475 2HE2 GLN 59 HE22 GLN 59 14.268 -2.902 22.799 476 H ASN 60 HN ASN 60 9.092 0.485 18.587 477 HA ASN 60 HA ASN 60 10.987 2.733 18.553 478 1HB ASN 60 HB2 ASN 60 9.728 1.391 16.535 479 2HB ASN 60 HB1 ASN 60 8.682 2.801 16.700 480 1HD2 ASN 60 HD21 ASN 60 12.157 1.927 16.343 481 2HD2 ASN 60 HD22 ASN 60 12.583 3.359 15.538 482 H CYS 61 HN CYS 61 7.418 2.492 18.490 483 HA CYS 61 HA CYS 61 7.078 5.219 19.412 484 1HB CYS 61 HB2 CYS 61 5.359 3.834 18.127 485 2HB CYS 61 HB1 CYS 61 5.051 2.992 19.648 486 HG CYS 61 HG CYS 61 3.932 5.675 18.963 487 H ASP 62 HN ASP 62 7.858 2.241 20.834 488 HA ASP 62 HA ASP 62 8.722 2.069 23.071 489 1HB ASP 62 HB2 ASP 62 8.005 4.568 23.387 490 2HB ASP 62 HB1 ASP 62 6.544 3.870 24.088 491 H LEU 63 HN LEU 63 6.831 0.500 21.563 492 HA LEU 63 HA LEU 63 4.505 -0.116 23.207 493 1HB LEU 63 HB2 LEU 63 6.029 -1.766 21.187 494 2HB LEU 63 HB1 LEU 63 4.539 -2.299 21.970 495 HG LEU 63 HG LEU 63 4.298 0.408 20.962 496 1HD1 LEU 63 HD11 LEU 63 5.520 0.118 19.097 497 2HD1 LEU 63 HD12 LEU 63 4.189 -0.905 18.555 498 3HD1 LEU 63 HD13 LEU 63 5.605 -1.626 19.331 499 1HD2 LEU 63 HD21 LEU 63 2.304 -0.632 19.874 500 2HD2 LEU 63 HD22 LEU 63 2.407 -1.001 21.596 501 3HD2 LEU 63 HD23 LEU 63 2.876 -2.215 20.404 502 H GLU 64 HN GLU 64 7.031 -2.497 22.562 503 HA GLU 64 HA GLU 64 8.412 -3.727 24.036 504 1HB GLU 64 HB2 GLU 64 7.974 -1.298 25.384 505 2HB GLU 64 HB1 GLU 64 7.619 -2.559 26.563 506 1HG GLU 64 HG2 GLU 64 9.780 -3.519 26.355 507 2HG GLU 64 HG1 GLU 64 10.110 -2.647 24.858 508 H GLN 65 HN GLN 65 8.194 -5.341 25.760 509 HA GLN 65 HA GLN 65 6.025 -7.034 25.634 510 1HB GLN 65 HB2 GLN 65 6.640 -7.646 28.067 511 2HB GLN 65 HB1 GLN 65 7.908 -7.809 26.842 512 1HG GLN 65 HG2 GLN 65 8.227 -5.198 27.620 513 2HG GLN 65 HG1 GLN 65 7.692 -5.937 29.125 514 1HE2 GLN 65 HE21 GLN 65 10.477 -5.033 27.922 515 2HE2 GLN 65 HE22 GLN 65 11.483 -6.341 28.319 516 H GLN 66 HN GLN 66 3.870 -6.731 26.078 517 HA GLN 66 HA GLN 66 1.960 -6.046 27.255 518 1HB GLN 66 HB2 GLN 66 4.014 -5.852 29.206 519 2HB GLN 66 HB1 GLN 66 3.147 -4.317 29.249 520 1HG GLN 66 HG2 GLN 66 1.011 -5.857 29.158 521 2HG GLN 66 HG1 GLN 66 2.115 -7.087 29.771 522 1HE2 GLN 66 HE21 GLN 66 -0.001 -6.181 31.422 523 2HE2 GLN 66 HE22 GLN 66 0.645 -5.268 32.699 524 H SER 67 HN SER 67 0.973 -4.575 25.998 525 HA SER 67 HA SER 67 1.625 -1.728 26.189 526 1HB SER 67 HB2 SER 67 2.846 -3.313 24.135 527 2HB SER 67 HB1 SER 67 1.650 -2.257 23.389 528 HG SER 67 HG SER 67 2.787 -0.703 25.051 529 H ILE 68 HN ILE 68 -0.420 -0.889 26.272 530 HA ILE 68 HA ILE 68 -2.604 -2.443 25.142 531 HB ILE 68 HB ILE 68 -2.236 -0.118 26.934 532 1HG1 ILE 68 HG12 ILE 68 -3.880 -1.241 28.235 533 2HG1 ILE 68 HG11 ILE 68 -4.445 -2.165 26.849 534 1HG2 ILE 68 HG21 ILE 68 -4.737 -0.472 25.280 535 2HG2 ILE 68 HG22 ILE 68 -3.572 0.845 25.095 536 3HG2 ILE 68 HG23 ILE 68 -4.512 0.698 26.580 537 1HD1 ILE 68 HD11 ILE 68 -3.120 -3.784 27.789 538 2HD1 ILE 68 HD12 ILE 68 -2.075 -2.608 28.585 539 3HD1 ILE 68 HD13 ILE 68 -1.851 -2.965 26.877 540 H VAL 69 HN VAL 69 -3.056 -2.281 23.062 541 HA VAL 69 HA VAL 69 -2.399 0.237 21.615 542 HB VAL 69 HB VAL 69 -2.763 -1.777 19.704 543 1HG1 VAL 69 HG11 VAL 69 -0.458 -0.364 20.943 544 2HG1 VAL 69 HG12 VAL 69 -0.920 -0.486 19.246 545 3HG1 VAL 69 HG13 VAL 69 -0.072 -1.817 20.028 546 1HG2 VAL 69 HG21 VAL 69 -1.285 -2.889 22.108 547 2HG2 VAL 69 HG22 VAL 69 -1.347 -3.641 20.514 548 3HG2 VAL 69 HG23 VAL 69 -2.818 -3.476 21.467 549 H HIS 70 HN HIS 70 -4.095 0.943 20.057 550 HA HIS 70 HA HIS 70 -6.741 -0.312 20.593 551 1HB HIS 70 HB2 HIS 70 -6.029 2.467 19.587 552 2HB HIS 70 HB1 HIS 70 -7.677 1.860 19.771 553 HD1 HIS 70 HD1 HIS 70 -4.737 3.081 21.725 554 HD2 HIS 70 HD2 HIS 70 -8.520 1.507 22.497 555 HE1 HIS 70 HE1 HIS 70 -5.190 3.480 24.186 556 H ILE 71 HN ILE 71 -7.168 -1.750 18.987 557 HA ILE 71 HA ILE 71 -6.046 -1.446 16.332 558 HB ILE 71 HB ILE 71 -6.434 -3.636 16.126 559 1HG1 ILE 71 HG12 ILE 71 -8.781 -4.445 17.202 560 2HG1 ILE 71 HG11 ILE 71 -9.158 -2.811 16.690 561 1HG2 ILE 71 HG21 ILE 71 -6.105 -4.734 18.034 562 2HG2 ILE 71 HG22 ILE 71 -7.495 -4.007 18.826 563 3HG2 ILE 71 HG23 ILE 71 -5.971 -3.121 18.722 564 1HD1 ILE 71 HD11 ILE 71 -8.142 -3.270 14.492 565 2HD1 ILE 71 HD12 ILE 71 -9.491 -4.369 14.816 566 3HD1 ILE 71 HD13 ILE 71 -7.820 -4.929 15.005 567 H VAL 72 HN VAL 72 -7.114 -0.859 14.468 568 HA VAL 72 HA VAL 72 -9.962 -0.025 14.801 569 HB VAL 72 HB VAL 72 -7.888 1.489 13.187 570 1HG1 VAL 72 HG11 VAL 72 -9.597 2.838 12.567 571 2HG1 VAL 72 HG12 VAL 72 -10.276 2.864 14.194 572 3HG1 VAL 72 HG13 VAL 72 -10.654 1.531 13.102 573 1HG2 VAL 72 HG21 VAL 72 -8.746 3.008 15.416 574 2HG2 VAL 72 HG22 VAL 72 -7.133 2.359 15.124 575 3HG2 VAL 72 HG23 VAL 72 -8.307 1.419 16.045 576 H GLN 73 HN GLN 73 -11.211 -1.058 13.315 577 HA GLN 73 HA GLN 73 -9.900 -1.938 10.773 578 1HB GLN 73 HB2 GLN 73 -10.659 -3.708 12.528 579 2HB GLN 73 HB1 GLN 73 -12.289 -3.323 11.968 580 1HG GLN 73 HG2 GLN 73 -10.170 -3.867 9.928 581 2HG GLN 73 HG1 GLN 73 -10.882 -5.236 10.788 582 1HE2 GLN 73 HE21 GLN 73 -12.912 -5.958 10.039 583 2HE2 GLN 73 HE22 GLN 73 -13.880 -5.106 8.937 584 H ARG 74 HN ARG 74 -10.633 -0.555 9.202 585 HA ARG 74 HA ARG 74 -12.913 1.056 9.210 586 1HB ARG 74 HB2 ARG 74 -11.613 -0.362 6.865 587 2HB ARG 74 HB1 ARG 74 -12.795 0.936 6.703 588 1HG ARG 74 HG2 ARG 74 -10.163 1.182 8.191 589 2HG ARG 74 HG1 ARG 74 -10.445 1.756 6.547 590 1HD ARG 74 HD2 ARG 74 -11.122 3.697 7.484 591 2HD ARG 74 HD1 ARG 74 -12.573 2.825 7.979 592 HE ARG 74 HE ARG 74 -10.790 2.241 9.992 593 1HH1 ARG 74 HH11 ARG 74 -13.179 4.176 10.160 594 2HH1 ARG 74 HH12 ARG 74 -12.403 5.586 10.799 595 1HH2 ARG 74 HH21 ARG 74 -9.200 4.483 10.065 596 2HH2 ARG 74 HH22 ARG 74 -10.151 5.758 10.749 597 HA PRO 75 HA PRO 75 -15.860 -2.363 9.223 598 1HB PRO 75 HB2 PRO 75 -17.981 -0.828 10.051 599 2HB PRO 75 HB1 PRO 75 -16.789 -1.569 11.149 600 1HG PRO 75 HG2 PRO 75 -17.037 1.264 10.284 601 2HG PRO 75 HG1 PRO 75 -16.373 0.603 11.783 602 1HD PRO 75 HD2 PRO 75 -14.853 1.563 9.618 603 2HD PRO 75 HD1 PRO 75 -14.241 0.526 10.927 604 H ARG 76 HN ARG 76 -17.241 -3.002 7.582 605 HA ARG 76 HA ARG 76 -17.598 -1.345 5.258 606 1HB ARG 76 HB2 ARG 76 -19.160 -3.784 6.204 607 2HB ARG 76 HB1 ARG 76 -19.304 -3.068 4.600 608 1HG ARG 76 HG2 ARG 76 -17.275 -3.880 3.905 609 2HG ARG 76 HG1 ARG 76 -16.550 -3.726 5.506 610 1HD ARG 76 HD2 ARG 76 -17.615 -5.726 6.282 611 2HD ARG 76 HD1 ARG 76 -18.655 -5.802 4.861 612 HE ARG 76 HE ARG 76 -15.762 -5.959 4.323 613 1HH1 ARG 76 HH21 ARG 76 -18.623 -7.061 3.220 614 2HH1 ARG 76 HH22 ARG 76 -18.215 -8.744 3.175 615 1HH2 ARG 76 HH11 ARG 76 -15.284 -8.354 4.987 616 2HH2 ARG 76 HH12 ARG 76 -16.319 -9.475 4.166 617 H ARG 77 HN ARG 77 -19.961 -0.617 4.596 618 HA ARG 77 HA ARG 77 -20.921 1.144 6.596 619 1HB ARG 77 HB2 ARG 77 -21.717 0.367 3.936 620 2HB ARG 77 HB1 ARG 77 -23.144 0.455 4.971 621 1HG ARG 77 HG2 ARG 77 -23.062 2.685 4.559 622 2HG ARG 77 HG1 ARG 77 -21.752 2.696 5.741 623 1HD ARG 77 HD2 ARG 77 -20.187 2.160 3.782 624 2HD ARG 77 HD1 ARG 77 -21.538 2.582 2.729 625 HE ARG 77 HE ARG 77 -20.961 4.818 3.146 626 1HH1 ARG 77 HH11 ARG 77 -18.358 4.312 4.376 627 2HH1 ARG 77 HH12 ARG 77 -18.537 4.950 5.977 628 1HH2 ARG 77 HH21 ARG 77 -22.004 5.003 5.850 629 2HH2 ARG 77 HH22 ARG 77 -20.604 5.339 6.813 630 H ARG 78 HN ARG 78 -21.171 -0.004 8.597 631 HA ARG 78 HA ARG 78 -22.567 -1.078 10.174 632 1HB ARG 78 HB2 ARG 78 -24.413 -0.312 8.459 633 2HB ARG 78 HB1 ARG 78 -24.408 -2.013 7.991 634 1HG ARG 78 HG2 ARG 78 -24.397 -1.950 10.826 635 2HG ARG 78 HG1 ARG 78 -25.623 -0.797 10.298 636 1HD ARG 78 HD2 ARG 78 -27.009 -2.487 9.772 637 2HD ARG 78 HD1 ARG 78 -25.811 -3.138 8.654 638 HE ARG 78 HE ARG 78 -25.121 -4.671 10.343 639 1HH1 ARG 78 HH21 ARG 78 -28.041 -4.723 11.037 640 2HH1 ARG 78 HH22 ARG 78 -28.010 -4.441 12.746 641 1HH2 ARG 78 HH11 ARG 78 -24.750 -3.255 12.756 642 2HH2 ARG 78 HH12 ARG 78 -26.143 -3.613 13.721 Start of MODEL 5 1 1H MET 1 HT1 MET 1 12.270 -14.775 23.938 2 2H MET 1 HT2 MET 1 12.820 -14.816 22.332 3 3H MET 1 HT3 MET 1 11.207 -14.404 22.671 4 HA MET 1 HA MET 1 12.928 -12.681 24.097 5 1HB MET 1 HB2 MET 1 13.534 -13.183 21.198 6 2HB MET 1 HB1 MET 1 13.681 -11.547 21.842 7 1HG MET 1 HG2 MET 1 15.050 -12.693 23.752 8 2HG MET 1 HG1 MET 1 15.216 -14.019 22.603 9 1HE MET 1 HE1 MET 1 17.035 -14.350 21.907 10 2HE MET 1 HE2 MET 1 18.308 -13.284 22.498 11 3HE MET 1 HE3 MET 1 18.008 -13.412 20.765 12 H GLY 2 HN GLY 2 10.254 -12.950 24.141 13 1HA GLY 2 HA2 GLY 2 9.267 -10.382 23.404 14 2HA GLY 2 HA1 GLY 2 8.744 -11.544 22.183 15 H MET 3 HN MET 3 7.208 -10.051 24.277 16 HA MET 3 HA MET 3 5.989 -12.429 25.602 17 1HB MET 3 HB2 MET 3 5.496 -9.797 26.841 18 2HB MET 3 HB1 MET 3 5.826 -11.353 27.593 19 1HG MET 3 HG2 MET 3 7.986 -9.819 26.142 20 2HG MET 3 HG1 MET 3 7.640 -9.544 27.846 21 1HE MET 3 HE1 MET 3 10.450 -12.042 26.021 22 2HE MET 3 HE2 MET 3 10.841 -10.963 27.359 23 3HE MET 3 HE3 MET 3 9.890 -10.364 26.002 24 H ILE 4 HN ILE 4 3.648 -11.849 26.286 25 HA ILE 4 HA ILE 4 2.146 -11.331 23.889 26 HB ILE 4 HB ILE 4 1.655 -12.273 26.559 27 1HG1 ILE 4 HG12 ILE 4 -0.412 -13.165 25.398 28 2HG1 ILE 4 HG11 ILE 4 0.086 -12.274 23.960 29 1HG2 ILE 4 HG21 ILE 4 -0.585 -11.239 26.850 30 2HG2 ILE 4 HG22 ILE 4 -0.268 -10.210 25.454 31 3HG2 ILE 4 HG23 ILE 4 0.701 -10.027 26.919 32 1HD1 ILE 4 HD11 ILE 4 0.821 -14.656 23.923 33 2HD1 ILE 4 HD12 ILE 4 1.787 -14.350 25.367 34 3HD1 ILE 4 HD13 ILE 4 2.174 -13.526 23.856 35 H VAL 5 HN VAL 5 1.037 -9.537 23.263 36 HA VAL 5 HA VAL 5 1.373 -7.056 24.882 37 HB VAL 5 HB VAL 5 0.502 -6.971 22.034 38 1HG1 VAL 5 HG11 VAL 5 0.882 -4.793 22.435 39 2HG1 VAL 5 HG12 VAL 5 2.589 -5.151 22.693 40 3HG1 VAL 5 HG13 VAL 5 1.468 -5.180 24.052 41 1HG2 VAL 5 HG21 VAL 5 2.453 -8.603 22.190 42 2HG2 VAL 5 HG22 VAL 5 3.420 -7.256 22.791 43 3HG2 VAL 5 HG23 VAL 5 2.733 -7.193 21.168 44 H PHE 6 HN PHE 6 -0.656 -5.607 24.668 45 HA PHE 6 HA PHE 6 -3.008 -7.428 24.689 46 1HB PHE 6 HB2 PHE 6 -2.321 -5.805 26.654 47 2HB PHE 6 HB1 PHE 6 -3.135 -4.600 25.653 48 HD1 PHE 6 HD1 PHE 6 -5.342 -4.234 26.257 49 HD2 PHE 6 HD2 PHE 6 -3.738 -8.214 26.502 50 HE1 PHE 6 HE1 PHE 6 -7.548 -5.073 27.014 51 HE2 PHE 6 HE2 PHE 6 -5.946 -9.052 27.265 52 HZ PHE 6 HZ PHE 6 -7.849 -7.483 27.520 53 H VAL 7 HN VAL 7 -3.881 -7.463 22.668 54 HA VAL 7 HA VAL 7 -3.940 -4.974 21.065 55 HB VAL 7 HB VAL 7 -4.643 -7.865 20.530 56 1HG1 VAL 7 HG11 VAL 7 -5.788 -7.370 18.578 57 2HG1 VAL 7 HG12 VAL 7 -4.934 -5.847 18.341 58 3HG1 VAL 7 HG13 VAL 7 -6.254 -5.948 19.505 59 1HG2 VAL 7 HG21 VAL 7 -2.851 -5.991 18.981 60 2HG2 VAL 7 HG22 VAL 7 -2.858 -7.755 18.963 61 3HG2 VAL 7 HG23 VAL 7 -2.268 -6.888 20.385 62 H ARG 8 HN ARG 8 -5.684 -3.604 21.469 63 HA ARG 8 HA ARG 8 -8.071 -4.813 22.685 64 1HB ARG 8 HB2 ARG 8 -7.922 -1.974 21.671 65 2HB ARG 8 HB1 ARG 8 -8.861 -2.608 23.022 66 1HG ARG 8 HG2 ARG 8 -5.844 -2.694 23.059 67 2HG ARG 8 HG1 ARG 8 -6.715 -1.251 23.576 68 1HD ARG 8 HD2 ARG 8 -7.157 -4.032 24.703 69 2HD ARG 8 HD1 ARG 8 -6.165 -2.787 25.466 70 HE ARG 8 HE ARG 8 -8.852 -1.834 24.913 71 1HH1 ARG 8 HH11 ARG 8 -7.425 -1.010 27.342 72 2HH1 ARG 8 HH12 ARG 8 -8.178 -1.948 28.588 73 1HH2 ARG 8 HH21 ARG 8 -9.618 -4.206 26.388 74 2HH2 ARG 8 HH22 ARG 8 -9.427 -3.749 28.048 75 H PHE 9 HN PHE 9 -8.822 -6.205 21.097 76 HA PHE 9 HA PHE 9 -9.116 -5.532 18.322 77 1HB PHE 9 HB2 PHE 9 -9.834 -7.720 20.132 78 2HB PHE 9 HB1 PHE 9 -11.047 -7.458 18.886 79 HD1 PHE 9 HD1 PHE 9 -8.946 -6.553 16.615 80 HD2 PHE 9 HD2 PHE 9 -9.122 -9.807 19.468 81 HE1 PHE 9 HE1 PHE 9 -7.609 -7.987 15.130 82 HE2 PHE 9 HE2 PHE 9 -7.749 -11.192 17.953 83 HZ PHE 9 HZ PHE 9 -7.000 -10.286 15.785 84 H ASN 10 HN ASN 10 -10.723 -4.332 17.366 85 HA ASN 10 HA ASN 10 -12.740 -3.166 17.099 86 1HB ASN 10 HB2 ASN 10 -13.429 -5.340 18.968 87 2HB ASN 10 HB1 ASN 10 -14.466 -3.919 19.093 88 1HD2 ASN 10 HD21 ASN 10 -15.721 -3.304 17.182 89 2HD2 ASN 10 HD22 ASN 10 -15.942 -4.383 15.891 90 H SER 11 HN SER 11 -13.089 -3.520 20.625 91 HA SER 11 HA SER 11 -11.738 -1.094 21.318 92 1HB SER 11 HB2 SER 11 -14.412 -0.247 21.761 93 2HB SER 11 HB1 SER 11 -13.208 0.486 20.706 94 HG SER 11 HG SER 11 -14.097 -0.460 19.028 95 H SER 12 HN SER 12 -14.331 -3.393 22.054 96 HA SER 12 HA SER 12 -13.910 -2.821 24.951 97 1HB SER 12 HB2 SER 12 -16.264 -3.169 23.465 98 2HB SER 12 HB1 SER 12 -16.085 -4.656 24.394 99 HG SER 12 HG SER 12 -16.625 -2.091 25.219 100 H TYR 13 HN TYR 13 -12.964 -4.981 22.591 101 HA TYR 13 HA TYR 13 -12.671 -7.182 24.595 102 1HB TYR 13 HB2 TYR 13 -13.909 -7.607 22.365 103 2HB TYR 13 HB1 TYR 13 -12.317 -7.499 21.613 104 HD1 TYR 13 HD1 TYR 13 -13.291 -8.905 24.943 105 HD2 TYR 13 HD2 TYR 13 -11.762 -9.707 21.009 106 HE1 TYR 13 HE1 TYR 13 -12.813 -11.247 25.605 107 HE2 TYR 13 HE2 TYR 13 -11.287 -12.049 21.672 108 HH TYR 13 HH TYR 13 -11.369 -13.088 24.929 109 H GLY 14 HN GLY 14 -10.578 -8.442 24.317 110 1HA GLY 14 HA2 GLY 14 -8.358 -6.914 23.117 111 2HA GLY 14 HA1 GLY 14 -8.307 -7.090 24.871 112 H PHE 15 HN PHE 15 -7.187 -8.441 22.079 113 HA PHE 15 HA PHE 15 -7.096 -11.180 23.258 114 1HB PHE 15 HB2 PHE 15 -7.284 -12.031 21.159 115 2HB PHE 15 HB1 PHE 15 -7.907 -10.433 20.753 116 HD1 PHE 15 HD1 PHE 15 -4.841 -12.525 20.852 117 HD2 PHE 15 HD2 PHE 15 -6.676 -8.934 19.322 118 HE1 PHE 15 HE1 PHE 15 -2.926 -12.200 19.313 119 HE2 PHE 15 HE2 PHE 15 -4.754 -8.630 17.791 120 HZ PHE 15 HZ PHE 15 -2.887 -10.253 17.779 121 HA PRO 16 HA PRO 16 -2.811 -10.380 23.963 122 1HB PRO 16 HB2 PRO 16 -2.074 -12.980 24.507 123 2HB PRO 16 HB1 PRO 16 -2.928 -11.936 25.659 124 1HG PRO 16 HG2 PRO 16 -3.992 -14.205 24.036 125 2HG PRO 16 HG1 PRO 16 -4.552 -13.585 25.598 126 1HD PRO 16 HD2 PRO 16 -5.767 -13.075 23.101 127 2HD PRO 16 HD1 PRO 16 -6.067 -12.174 24.603 128 H VAL 17 HN VAL 17 -1.299 -10.087 22.395 129 HA VAL 17 HA VAL 17 -1.162 -12.046 20.142 130 HB VAL 17 HB VAL 17 -1.754 -9.755 19.478 131 1HG1 VAL 17 HG11 VAL 17 0.325 -8.112 19.853 132 2HG1 VAL 17 HG12 VAL 17 0.562 -9.153 21.259 133 3HG1 VAL 17 HG13 VAL 17 -0.956 -8.280 21.056 134 1HG2 VAL 17 HG21 VAL 17 -0.365 -10.989 17.906 135 2HG2 VAL 17 HG22 VAL 17 1.093 -10.565 18.803 136 3HG2 VAL 17 HG23 VAL 17 0.192 -9.316 17.942 137 H GLU 18 HN GLU 18 0.993 -12.634 19.380 138 HA GLU 18 HA GLU 18 3.033 -12.408 21.547 139 1HB GLU 18 HB2 GLU 18 2.546 -14.702 20.842 140 2HB GLU 18 HB1 GLU 18 2.866 -14.278 19.160 141 1HG GLU 18 HG2 GLU 18 5.144 -13.411 20.508 142 2HG GLU 18 HG1 GLU 18 4.749 -14.944 21.287 143 H VAL 19 HN VAL 19 4.455 -10.733 21.217 144 HA VAL 19 HA VAL 19 5.601 -10.419 18.497 145 HB VAL 19 HB VAL 19 4.638 -8.467 18.018 146 1HG1 VAL 19 HG11 VAL 19 2.627 -7.815 19.407 147 2HG1 VAL 19 HG12 VAL 19 3.063 -9.113 20.519 148 3HG1 VAL 19 HG13 VAL 19 2.628 -9.489 18.853 149 1HG2 VAL 19 HG21 VAL 19 6.197 -7.253 19.389 150 2HG2 VAL 19 HG22 VAL 19 5.341 -7.709 20.864 151 3HG2 VAL 19 HG23 VAL 19 4.598 -6.588 19.724 152 H ASP 20 HN ASP 20 7.456 -8.879 18.541 153 HA ASP 20 HA ASP 20 8.742 -8.760 21.235 154 1HB ASP 20 HB2 ASP 20 10.926 -9.056 19.821 155 2HB ASP 20 HB1 ASP 20 9.965 -10.483 20.206 156 H SER 21 HN SER 21 10.835 -7.213 20.871 157 HA SER 21 HA SER 21 9.797 -4.608 20.362 158 1HB SER 21 HB2 SER 21 12.727 -5.179 20.110 159 2HB SER 21 HB1 SER 21 11.922 -3.830 20.904 160 HG SER 21 HG SER 21 11.332 -5.200 22.567 161 H ASP 22 HN ASP 22 10.677 -7.000 18.119 162 HA ASP 22 HA ASP 22 11.128 -4.921 16.013 163 1HB ASP 22 HB2 ASP 22 12.990 -6.649 16.587 164 2HB ASP 22 HB1 ASP 22 11.970 -7.794 15.717 165 H THR 23 HN THR 23 8.603 -6.404 17.087 166 HA THR 23 HA THR 23 7.660 -8.025 14.877 167 HB THR 23 HB THR 23 6.672 -7.051 17.449 168 HG1 THR 23 HG1 THR 23 6.504 -9.287 15.787 169 1HG2 THR 23 HG21 THR 23 4.779 -7.336 15.121 170 2HG2 THR 23 HG22 THR 23 5.139 -5.839 15.982 171 3HG2 THR 23 HG23 THR 23 4.301 -7.156 16.808 172 H SER 24 HN SER 24 8.201 -4.743 15.141 173 HA SER 24 HA SER 24 7.655 -2.942 13.769 174 1HB SER 24 HB2 SER 24 6.369 -5.108 12.102 175 2HB SER 24 HB1 SER 24 6.663 -3.456 11.566 176 HG SER 24 HG SER 24 8.696 -3.930 11.293 177 H ILE 25 HN ILE 25 5.002 -3.009 12.224 178 HA ILE 25 HA ILE 25 3.100 -3.124 14.492 179 HB ILE 25 HB ILE 25 3.422 -0.626 12.824 180 1HG1 ILE 25 HG12 ILE 25 5.268 -1.167 14.527 181 2HG1 ILE 25 HG11 ILE 25 4.473 0.397 14.658 182 1HG2 ILE 25 HG21 ILE 25 1.418 -1.633 14.745 183 2HG2 ILE 25 HG22 ILE 25 1.261 -0.386 13.506 184 3HG2 ILE 25 HG23 ILE 25 1.982 0.008 15.066 185 1HD1 ILE 25 HD11 ILE 25 3.034 -1.658 16.129 186 2HD1 ILE 25 HD12 ILE 25 3.636 -0.097 16.680 187 3HD1 ILE 25 HD13 ILE 25 4.700 -1.502 16.688 188 H LEU 26 HN LEU 26 3.649 -2.997 10.976 189 HA LEU 26 HA LEU 26 0.766 -3.287 10.474 190 1HB LEU 26 HB2 LEU 26 1.909 -2.214 8.674 191 2HB LEU 26 HB1 LEU 26 3.211 -3.403 8.694 192 HG LEU 26 HG LEU 26 1.409 -3.622 6.864 193 1HD1 LEU 26 HD11 LEU 26 2.392 -5.640 6.712 194 2HD1 LEU 26 HD12 LEU 26 1.368 -6.240 8.021 195 3HD1 LEU 26 HD13 LEU 26 2.920 -5.476 8.393 196 1HD2 LEU 26 HD21 LEU 26 -0.739 -4.129 7.431 197 2HD2 LEU 26 HD22 LEU 26 -0.310 -3.549 9.033 198 3HD2 LEU 26 HD23 LEU 26 -0.234 -5.271 8.671 199 H GLN 27 HN GLN 27 3.731 -5.005 10.848 200 HA GLN 27 HA GLN 27 2.887 -7.658 10.188 201 1HB GLN 27 HB2 GLN 27 5.109 -6.256 11.428 202 2HB GLN 27 HB1 GLN 27 4.733 -7.728 12.341 203 1HG GLN 27 HG2 GLN 27 4.577 -8.463 9.621 204 2HG GLN 27 HG1 GLN 27 6.028 -7.468 9.761 205 1HE2 GLN 27 HE21 GLN 27 4.490 -9.826 12.024 206 2HE2 GLN 27 HE22 GLN 27 5.894 -10.758 12.237 207 H LEU 28 HN LEU 28 2.669 -5.499 12.903 208 HA LEU 28 HA LEU 28 1.483 -7.373 14.792 209 1HB LEU 28 HB2 LEU 28 2.692 -5.311 15.495 210 2HB LEU 28 HB1 LEU 28 1.497 -4.326 14.663 211 HG LEU 28 HG LEU 28 1.150 -4.529 17.154 212 1HD1 LEU 28 HD11 LEU 28 -1.245 -5.762 16.000 213 2HD1 LEU 28 HD12 LEU 28 -0.619 -4.385 15.094 214 3HD1 LEU 28 HD13 LEU 28 -1.044 -4.205 16.798 215 1HD2 LEU 28 HD21 LEU 28 1.609 -7.224 16.661 216 2HD2 LEU 28 HD22 LEU 28 -0.141 -7.149 16.870 217 3HD2 LEU 28 HD23 LEU 28 0.924 -6.561 18.146 218 H LYS 29 HN LYS 29 0.398 -5.157 12.287 219 HA LYS 29 HA LYS 29 -2.440 -5.296 12.884 220 1HB LYS 29 HB2 LYS 29 -0.753 -4.338 10.604 221 2HB LYS 29 HB1 LYS 29 -2.437 -4.715 10.265 222 1HG LYS 29 HG2 LYS 29 -3.056 -2.721 11.093 223 2HG LYS 29 HG1 LYS 29 -2.350 -3.148 12.656 224 1HD LYS 29 HD2 LYS 29 -0.105 -2.476 11.621 225 2HD LYS 29 HD1 LYS 29 -1.037 -1.746 10.325 226 1HE LYS 29 HE2 LYS 29 -2.304 -0.533 12.253 227 2HE LYS 29 HE1 LYS 29 -0.926 -1.012 13.239 228 1HZ LYS 29 HZ1 LYS 29 -0.612 0.395 10.652 229 2HZ LYS 29 HZ2 LYS 29 0.544 0.187 11.878 230 3HZ LYS 29 HZ3 LYS 29 -0.776 1.227 12.122 231 H GLU 30 HN GLU 30 -0.112 -7.289 11.265 232 HA GLU 30 HA GLU 30 -2.008 -8.771 9.657 233 1HB GLU 30 HB2 GLU 30 0.852 -9.343 10.479 234 2HB GLU 30 HB1 GLU 30 -0.070 -10.347 9.359 235 1HG GLU 30 HG2 GLU 30 -0.348 -7.621 8.540 236 2HG GLU 30 HG1 GLU 30 1.368 -7.948 8.788 237 H VAL 31 HN VAL 31 -0.152 -9.565 12.619 238 HA VAL 31 HA VAL 31 -1.398 -12.108 13.088 239 HB VAL 31 HB VAL 31 -0.211 -10.108 15.054 240 1HG1 VAL 31 HG11 VAL 31 0.156 -12.256 16.402 241 2HG1 VAL 31 HG12 VAL 31 -0.989 -13.025 15.303 242 3HG1 VAL 31 HG13 VAL 31 -1.508 -11.677 16.313 243 1HG2 VAL 31 HG21 VAL 31 1.562 -10.652 13.649 244 2HG2 VAL 31 HG22 VAL 31 0.922 -12.255 13.289 245 3HG2 VAL 31 HG23 VAL 31 1.682 -11.941 14.849 246 H VAL 32 HN VAL 32 -2.140 -8.842 14.282 247 HA VAL 32 HA VAL 32 -4.468 -9.647 15.781 248 HB VAL 32 HB VAL 32 -3.761 -6.986 14.490 249 1HG1 VAL 32 HG11 VAL 32 -5.390 -6.045 16.100 250 2HG1 VAL 32 HG12 VAL 32 -5.808 -7.678 16.629 251 3HG1 VAL 32 HG13 VAL 32 -6.158 -7.162 14.971 252 1HG2 VAL 32 HG21 VAL 32 -3.131 -8.280 17.128 253 2HG2 VAL 32 HG22 VAL 32 -3.280 -6.525 17.034 254 3HG2 VAL 32 HG23 VAL 32 -2.078 -7.366 16.057 255 H ALA 33 HN ALA 33 -3.771 -8.799 12.465 256 HA ALA 33 HA ALA 33 -6.481 -8.553 11.563 257 1HB ALA 33 HB1 ALA 33 -3.838 -9.116 10.204 258 2HB ALA 33 HB2 ALA 33 -4.853 -7.682 10.071 259 3HB ALA 33 HB3 ALA 33 -5.344 -9.186 9.290 260 H LYS 34 HN LYS 34 -4.370 -11.257 12.212 261 HA LYS 34 HA LYS 34 -5.794 -13.272 10.711 262 1HB LYS 34 HB2 LYS 34 -4.259 -13.776 13.273 263 2HB LYS 34 HB1 LYS 34 -4.460 -14.858 11.893 264 1HG LYS 34 HG2 LYS 34 -2.864 -12.324 12.036 265 2HG LYS 34 HG1 LYS 34 -2.239 -13.950 11.827 266 1HD LYS 34 HD2 LYS 34 -4.148 -12.688 9.848 267 2HD LYS 34 HD1 LYS 34 -2.396 -12.549 9.691 268 1HE LYS 34 HE2 LYS 34 -2.286 -14.606 8.792 269 2HE LYS 34 HE1 LYS 34 -3.062 -15.291 10.220 270 1HZ LYS 34 HZ1 LYS 34 -4.333 -14.255 7.762 271 2HZ LYS 34 HZ2 LYS 34 -5.209 -14.453 9.203 272 3HZ LYS 34 HZ3 LYS 34 -4.484 -15.794 8.457 273 H ARG 35 HN ARG 35 -5.737 -12.449 14.159 274 HA ARG 35 HA ARG 35 -7.919 -14.221 14.822 275 1HB ARG 35 HB2 ARG 35 -6.498 -11.996 16.268 276 2HB ARG 35 HB1 ARG 35 -7.938 -12.746 16.963 277 1HG ARG 35 HG2 ARG 35 -6.523 -14.312 17.785 278 2HG ARG 35 HG1 ARG 35 -6.462 -14.929 16.134 279 1HD ARG 35 HD2 ARG 35 -4.505 -13.545 15.650 280 2HD ARG 35 HD1 ARG 35 -4.594 -12.821 17.257 281 HE ARG 35 HE ARG 35 -3.822 -14.907 18.201 282 1HH1 ARG 35 HH11 ARG 35 -4.946 -15.634 15.104 283 2HH1 ARG 35 HH12 ARG 35 -3.676 -16.748 14.723 284 1HH2 ARG 35 HH21 ARG 35 -1.820 -16.021 17.557 285 2HH2 ARG 35 HH22 ARG 35 -1.905 -16.958 16.102 286 H GLN 36 HN GLN 36 -7.830 -10.960 13.586 287 HA GLN 36 HA GLN 36 -10.541 -10.339 14.511 288 1HB GLN 36 HB2 GLN 36 -8.361 -8.857 13.462 289 2HB GLN 36 HB1 GLN 36 -9.705 -8.648 12.340 290 1HG GLN 36 HG2 GLN 36 -10.531 -8.507 15.150 291 2HG GLN 36 HG1 GLN 36 -9.370 -7.253 14.707 292 1HE2 GLN 36 HE21 GLN 36 -12.675 -8.312 14.318 293 2HE2 GLN 36 HE22 GLN 36 -13.167 -7.048 13.296 294 H GLY 37 HN GLY 37 -9.209 -12.083 11.895 295 1HA GLY 37 HA2 GLY 37 -10.347 -13.228 10.161 296 2HA GLY 37 HA1 GLY 37 -11.860 -12.543 10.766 297 H VAL 38 HN VAL 38 -9.154 -10.492 10.152 298 HA VAL 38 HA VAL 38 -10.217 -9.622 7.511 299 HB VAL 38 HB VAL 38 -10.854 -7.545 8.208 300 1HG1 VAL 38 HG11 VAL 38 -12.124 -8.951 9.721 301 2HG1 VAL 38 HG12 VAL 38 -11.611 -7.516 10.609 302 3HG1 VAL 38 HG13 VAL 38 -10.765 -9.048 10.845 303 1HG2 VAL 38 HG21 VAL 38 -9.618 -6.458 10.234 304 2HG2 VAL 38 HG22 VAL 38 -8.746 -6.622 8.709 305 3HG2 VAL 38 HG23 VAL 38 -8.455 -7.766 10.020 306 HA PRO 39 HA PRO 39 -6.020 -9.033 6.606 307 1HB PRO 39 HB2 PRO 39 -6.268 -7.016 4.742 308 2HB PRO 39 HB1 PRO 39 -6.682 -8.711 4.431 309 1HG PRO 39 HG2 PRO 39 -8.502 -6.395 4.865 310 2HG PRO 39 HG1 PRO 39 -8.807 -7.916 4.020 311 1HD PRO 39 HD2 PRO 39 -9.680 -7.254 6.629 312 2HD PRO 39 HD1 PRO 39 -9.734 -8.859 5.867 313 H ALA 40 HN ALA 40 -4.265 -7.821 7.270 314 HA ALA 40 HA ALA 40 -4.418 -5.924 9.319 315 1HB ALA 40 HB1 ALA 40 -2.400 -7.081 7.727 316 2HB ALA 40 HB2 ALA 40 -2.218 -6.203 9.247 317 3HB ALA 40 HB3 ALA 40 -2.146 -5.333 7.707 318 H ASP 41 HN ASP 41 -4.938 -5.458 5.938 319 HA ASP 41 HA ASP 41 -4.305 -2.699 5.731 320 1HB ASP 41 HB2 ASP 41 -4.864 -4.207 3.800 321 2HB ASP 41 HB1 ASP 41 -6.556 -4.149 4.300 322 H GLN 42 HN GLN 42 -7.580 -4.135 6.178 323 HA GLN 42 HA GLN 42 -8.817 -1.653 6.953 324 1HB GLN 42 HB2 GLN 42 -9.781 -4.264 8.082 325 2HB GLN 42 HB1 GLN 42 -10.714 -2.918 7.419 326 1HG GLN 42 HG2 GLN 42 -9.527 -3.559 5.167 327 2HG GLN 42 HG1 GLN 42 -9.281 -5.113 5.959 328 1HE2 GLN 42 HE21 GLN 42 -11.896 -2.758 5.202 329 2HE2 GLN 42 HE22 GLN 42 -13.116 -3.931 5.064 330 H LEU 43 HN LEU 43 -7.427 -4.336 8.728 331 HA LEU 43 HA LEU 43 -7.918 -3.381 11.375 332 1HB LEU 43 HB2 LEU 43 -7.016 -5.676 10.256 333 2HB LEU 43 HB1 LEU 43 -5.496 -4.993 10.827 334 HG LEU 43 HG LEU 43 -6.921 -4.564 13.020 335 1HD1 LEU 43 HD11 LEU 43 -8.577 -6.316 13.393 336 2HD1 LEU 43 HD12 LEU 43 -8.193 -7.053 11.833 337 3HD1 LEU 43 HD13 LEU 43 -8.993 -5.482 11.885 338 1HD2 LEU 43 HD21 LEU 43 -5.077 -6.503 12.050 339 2HD2 LEU 43 HD22 LEU 43 -6.275 -7.355 13.033 340 3HD2 LEU 43 HD23 LEU 43 -5.356 -6.019 13.725 341 H ARG 44 HN ARG 44 -6.589 -2.144 12.757 342 HA ARG 44 HA ARG 44 -3.903 -1.428 11.904 343 1HB ARG 44 HB2 ARG 44 -6.104 0.363 11.308 344 2HB ARG 44 HB1 ARG 44 -4.875 1.131 12.323 345 1HG ARG 44 HG2 ARG 44 -3.545 1.326 10.515 346 2HG ARG 44 HG1 ARG 44 -3.480 -0.444 10.425 347 1HD ARG 44 HD2 ARG 44 -5.197 -0.555 8.853 348 2HD ARG 44 HD1 ARG 44 -5.866 1.011 9.312 349 HE ARG 44 HE ARG 44 -3.220 0.861 7.939 350 1HH1 ARG 44 HH11 ARG 44 -5.866 0.714 6.334 351 2HH1 ARG 44 HH12 ARG 44 -6.024 2.370 5.851 352 1HH2 ARG 44 HH21 ARG 44 -3.675 3.534 8.120 353 2HH2 ARG 44 HH22 ARG 44 -4.778 3.965 6.857 354 H VAL 45 HN VAL 45 -2.807 -1.632 13.672 355 HA VAL 45 HA VAL 45 -4.099 -1.128 16.284 356 HB VAL 45 HB VAL 45 -1.381 -2.336 16.123 357 1HG1 VAL 45 HG11 VAL 45 -2.097 -3.135 18.106 358 2HG1 VAL 45 HG12 VAL 45 -3.482 -3.909 17.335 359 3HG1 VAL 45 HG13 VAL 45 -3.601 -2.239 17.890 360 1HG2 VAL 45 HG21 VAL 45 -2.842 -4.518 15.498 361 2HG2 VAL 45 HG22 VAL 45 -2.028 -3.537 14.281 362 3HG2 VAL 45 HG23 VAL 45 -3.750 -3.317 14.586 363 H ILE 46 HN ILE 46 -3.710 0.788 17.207 364 HA ILE 46 HA ILE 46 -1.028 2.057 16.827 365 HB ILE 46 HB ILE 46 -3.730 3.334 17.391 366 1HG1 ILE 46 HG12 ILE 46 -2.026 4.092 15.067 367 2HG1 ILE 46 HG11 ILE 46 -2.744 2.476 14.992 368 1HG2 ILE 46 HG21 ILE 46 -2.621 5.429 17.576 369 2HG2 ILE 46 HG22 ILE 46 -1.130 4.802 16.875 370 3HG2 ILE 46 HG23 ILE 46 -1.596 4.343 18.512 371 1HD1 ILE 46 HD11 ILE 46 -4.237 5.090 15.440 372 2HD1 ILE 46 HD12 ILE 46 -4.977 3.488 15.457 373 3HD1 ILE 46 HD13 ILE 46 -4.263 4.115 13.970 374 H PHE 47 HN PHE 47 0.158 2.172 18.701 375 HA PHE 47 HA PHE 47 -1.039 1.052 21.144 376 1HB PHE 47 HB2 PHE 47 1.082 0.277 20.872 377 2HB PHE 47 HB1 PHE 47 1.680 1.812 20.232 378 HD1 PHE 47 HD1 PHE 47 0.932 -0.122 23.207 379 HD2 PHE 47 HD2 PHE 47 2.030 3.747 21.717 380 HE1 PHE 47 HE1 PHE 47 1.686 0.535 25.493 381 HE2 PHE 47 HE2 PHE 47 2.798 4.411 23.996 382 HZ PHE 47 HZ PHE 47 2.619 2.804 25.881 383 H ALA 48 HN ALA 48 -1.685 2.122 22.916 384 HA ALA 48 HA ALA 48 -2.072 3.857 24.439 385 1HB ALA 48 HB1 ALA 48 0.538 4.746 23.215 386 2HB ALA 48 HB2 ALA 48 0.293 3.936 24.763 387 3HB ALA 48 HB3 ALA 48 -0.232 5.606 24.546 388 H GLY 49 HN GLY 49 -2.602 4.137 21.316 389 1HA GLY 49 HA2 GLY 49 -4.039 5.652 20.204 390 2HA GLY 49 HA1 GLY 49 -3.982 6.692 21.628 391 H LYS 50 HN LYS 50 -0.810 5.844 20.745 392 HA LYS 50 HA LYS 50 -0.541 8.518 19.482 393 1HB LYS 50 HB2 LYS 50 1.288 6.697 20.979 394 2HB LYS 50 HB1 LYS 50 2.012 7.700 19.722 395 1HG LYS 50 HG2 LYS 50 2.142 9.100 21.596 396 2HG LYS 50 HG1 LYS 50 0.641 9.634 20.838 397 1HD LYS 50 HD2 LYS 50 -0.647 8.159 22.342 398 2HD LYS 50 HD1 LYS 50 0.853 7.630 23.106 399 1HE LYS 50 HE2 LYS 50 0.858 9.437 24.446 400 2HE LYS 50 HE1 LYS 50 0.754 10.515 23.053 401 1HZ LYS 50 HZ1 LYS 50 -1.598 10.328 23.042 402 2HZ LYS 50 HZ2 LYS 50 -1.138 10.679 24.639 403 3HZ LYS 50 HZ3 LYS 50 -1.581 9.096 24.208 404 H GLU 51 HN GLU 51 -0.481 8.606 17.323 405 HA GLU 51 HA GLU 51 -0.679 6.450 15.590 406 1HB GLU 51 HB2 GLU 51 -1.045 8.700 14.775 407 2HB GLU 51 HB1 GLU 51 0.649 9.118 15.058 408 1HG GLU 51 HG2 GLU 51 1.180 8.328 13.019 409 2HG GLU 51 HG1 GLU 51 0.603 6.731 13.505 410 H LEU 52 HN LEU 52 0.745 4.789 16.252 411 HA LEU 52 HA LEU 52 3.623 5.247 15.802 412 1HB LEU 52 HB2 LEU 52 3.673 4.102 17.738 413 2HB LEU 52 HB1 LEU 52 1.947 3.794 17.652 414 HG LEU 52 HG LEU 52 2.455 1.968 16.055 415 1HD1 LEU 52 HD11 LEU 52 4.640 2.698 15.323 416 2HD1 LEU 52 HD12 LEU 52 4.894 1.195 16.220 417 3HD1 LEU 52 HD13 LEU 52 5.239 2.750 16.981 418 1HD2 LEU 52 HD21 LEU 52 3.847 0.892 18.258 419 2HD2 LEU 52 HD22 LEU 52 2.097 0.899 18.017 420 3HD2 LEU 52 HD23 LEU 52 2.869 2.209 18.916 421 HA PRO 53 HA PRO 53 2.427 3.868 11.774 422 1HB PRO 53 HB2 PRO 53 4.963 3.865 10.697 423 2HB PRO 53 HB1 PRO 53 3.930 5.292 10.891 424 1HG PRO 53 HG2 PRO 53 6.254 4.406 12.563 425 2HG PRO 53 HG1 PRO 53 5.704 6.049 12.185 426 1HD PRO 53 HD2 PRO 53 5.221 4.779 14.604 427 2HD PRO 53 HD1 PRO 53 4.219 6.094 13.956 428 H ASN 54 HN ASN 54 2.836 2.275 10.194 429 HA ASN 54 HA ASN 54 2.893 -0.379 11.228 430 1HB ASN 54 HB2 ASN 54 3.150 -0.882 8.638 431 2HB ASN 54 HB1 ASN 54 1.632 -0.300 9.318 432 1HD2 ASN 54 HD21 ASN 54 0.768 1.315 8.032 433 2HD2 ASN 54 HD22 ASN 54 1.664 2.489 7.193 434 H HIS 55 HN HIS 55 5.326 1.419 9.332 435 HA HIS 55 HA HIS 55 7.105 -0.860 9.158 436 1HB HIS 55 HB2 HIS 55 8.709 0.749 8.221 437 2HB HIS 55 HB1 HIS 55 7.111 0.987 7.510 438 HD1 HIS 55 HD1 HIS 55 5.813 3.127 8.147 439 HD2 HIS 55 HD2 HIS 55 9.534 2.837 10.005 440 HE1 HIS 55 HE1 HIS 55 6.269 5.388 9.191 441 H LEU 56 HN LEU 56 7.118 2.053 11.253 442 HA LEU 56 HA LEU 56 9.554 1.773 12.518 443 1HB LEU 56 HB2 LEU 56 6.851 2.537 13.572 444 2HB LEU 56 HB1 LEU 56 8.197 2.369 14.700 445 HG LEU 56 HG LEU 56 8.079 4.185 12.275 446 1HD1 LEU 56 HD11 LEU 56 7.541 4.488 15.125 447 2HD1 LEU 56 HD12 LEU 56 7.204 5.601 13.801 448 3HD1 LEU 56 HD13 LEU 56 8.787 5.605 14.571 449 1HD2 LEU 56 HD21 LEU 56 10.337 3.015 13.701 450 2HD2 LEU 56 HD22 LEU 56 10.355 4.776 13.792 451 3HD2 LEU 56 HD23 LEU 56 10.329 3.976 12.222 452 H THR 57 HN THR 57 10.133 0.695 14.621 453 HA THR 57 HA THR 57 9.278 -2.117 14.498 454 HB THR 57 HB THR 57 11.015 -1.997 16.597 455 HG1 THR 57 HG1 THR 57 12.571 -0.476 16.063 456 1HG2 THR 57 HG21 THR 57 12.453 -1.965 14.074 457 2HG2 THR 57 HG22 THR 57 10.971 -2.916 13.959 458 3HG2 THR 57 HG23 THR 57 12.179 -3.307 15.184 459 H VAL 58 HN VAL 58 8.869 -3.245 16.645 460 HA VAL 58 HA VAL 58 6.558 -2.141 17.863 461 HB VAL 58 HB VAL 58 8.410 -4.411 18.599 462 1HG1 VAL 58 HG11 VAL 58 5.919 -3.508 20.088 463 2HG1 VAL 58 HG12 VAL 58 7.568 -3.436 20.710 464 3HG1 VAL 58 HG13 VAL 58 6.813 -4.998 20.393 465 1HG2 VAL 58 HG21 VAL 58 5.858 -5.369 18.301 466 2HG2 VAL 58 HG22 VAL 58 7.039 -5.281 16.994 467 3HG2 VAL 58 HG23 VAL 58 5.840 -4.000 17.188 468 H GLN 59 HN GLN 59 9.955 -2.111 18.879 469 HA GLN 59 HA GLN 59 9.284 -0.684 21.383 470 1HB GLN 59 HB2 GLN 59 11.544 -2.129 20.270 471 2HB GLN 59 HB1 GLN 59 12.034 -0.604 20.997 472 1HG GLN 59 HG2 GLN 59 10.119 -2.357 22.494 473 2HG GLN 59 HG1 GLN 59 11.830 -2.788 22.487 474 1HE2 GLN 59 HE21 GLN 59 12.630 -2.070 24.481 475 2HE2 GLN 59 HE22 GLN 59 12.390 -0.512 25.110 476 H ASN 60 HN ASN 60 8.973 0.388 18.540 477 HA ASN 60 HA ASN 60 10.881 2.622 18.440 478 1HB ASN 60 HB2 ASN 60 9.547 1.345 16.469 479 2HB ASN 60 HB1 ASN 60 8.437 2.690 16.742 480 1HD2 ASN 60 HD21 ASN 60 9.339 4.915 16.502 481 2HD2 ASN 60 HD22 ASN 60 10.727 5.169 15.561 482 H CYS 61 HN CYS 61 7.312 2.445 18.589 483 HA CYS 61 HA CYS 61 7.122 5.168 19.574 484 1HB CYS 61 HB2 CYS 61 5.049 4.772 18.767 485 2HB CYS 61 HB1 CYS 61 5.283 3.024 18.824 486 HG CYS 61 HG CYS 61 4.675 3.144 21.413 487 H ASP 62 HN ASP 62 7.759 2.094 20.868 488 HA ASP 62 HA ASP 62 8.701 1.794 23.072 489 1HB ASP 62 HB2 ASP 62 6.646 3.840 23.968 490 2HB ASP 62 HB1 ASP 62 7.829 3.036 24.994 491 H LEU 63 HN LEU 63 6.689 0.411 21.498 492 HA LEU 63 HA LEU 63 4.357 -0.205 23.089 493 1HB LEU 63 HB2 LEU 63 5.900 -1.923 21.149 494 2HB LEU 63 HB1 LEU 63 4.363 -2.390 21.877 495 HG LEU 63 HG LEU 63 4.272 0.299 20.781 496 1HD1 LEU 63 HD11 LEU 63 5.461 -0.101 18.924 497 2HD1 LEU 63 HD12 LEU 63 4.175 -1.217 18.456 498 3HD1 LEU 63 HD13 LEU 63 5.595 -1.812 19.319 499 1HD2 LEU 63 HD21 LEU 63 2.315 -1.063 21.426 500 2HD2 LEU 63 HD22 LEU 63 2.754 -2.272 20.217 501 3HD2 LEU 63 HD23 LEU 63 2.253 -0.658 19.710 502 H GLU 64 HN GLU 64 7.236 -2.201 22.569 503 HA GLU 64 HA GLU 64 8.418 -3.616 24.026 504 1HB GLU 64 HB2 GLU 64 7.251 -1.566 25.891 505 2HB GLU 64 HB1 GLU 64 8.069 -2.980 26.555 506 1HG GLU 64 HG2 GLU 64 10.114 -2.436 25.451 507 2HG GLU 64 HG1 GLU 64 9.322 -1.231 24.434 508 H GLN 65 HN GLN 65 8.011 -5.590 25.040 509 HA GLN 65 HA GLN 65 5.692 -6.981 24.728 510 1HB GLN 65 HB2 GLN 65 6.336 -8.228 26.892 511 2HB GLN 65 HB1 GLN 65 7.520 -8.188 25.583 512 1HG GLN 65 HG2 GLN 65 8.769 -7.612 27.503 513 2HG GLN 65 HG1 GLN 65 8.421 -6.066 26.735 514 1HE2 GLN 65 HE21 GLN 65 7.767 -4.533 28.234 515 2HE2 GLN 65 HE22 GLN 65 6.842 -4.853 29.623 516 H GLN 66 HN GLN 66 3.626 -7.008 25.641 517 HA GLN 66 HA GLN 66 1.872 -6.413 27.102 518 1HB GLN 66 HB2 GLN 66 3.804 -6.704 28.887 519 2HB GLN 66 HB1 GLN 66 3.820 -4.941 28.876 520 1HG GLN 66 HG2 GLN 66 1.454 -4.869 29.449 521 2HG GLN 66 HG1 GLN 66 1.342 -6.626 29.335 522 1HE2 GLN 66 HE21 GLN 66 2.661 -7.892 30.955 523 2HE2 GLN 66 HE22 GLN 66 2.996 -7.193 32.465 524 H SER 67 HN SER 67 0.833 -4.887 25.863 525 HA SER 67 HA SER 67 1.361 -2.048 26.273 526 1HB SER 67 HB2 SER 67 2.836 -1.777 24.585 527 2HB SER 67 HB1 SER 67 2.667 -3.468 24.118 528 HG SER 67 HG SER 67 1.745 -2.569 22.431 529 H ILE 68 HN ILE 68 -0.648 -1.105 26.066 530 HA ILE 68 HA ILE 68 -2.733 -2.762 24.876 531 HB ILE 68 HB ILE 68 -2.547 -0.394 26.650 532 1HG1 ILE 68 HG12 ILE 68 -4.194 -1.618 27.887 533 2HG1 ILE 68 HG11 ILE 68 -4.572 -2.627 26.494 534 1HG2 ILE 68 HG21 ILE 68 -3.857 0.451 24.732 535 2HG2 ILE 68 HG22 ILE 68 -4.836 0.296 26.189 536 3HG2 ILE 68 HG23 ILE 68 -4.963 -0.913 24.910 537 1HD1 ILE 68 HD11 ILE 68 -2.097 -3.381 26.574 538 2HD1 ILE 68 HD12 ILE 68 -3.160 -3.976 27.849 539 3HD1 ILE 68 HD13 ILE 68 -2.062 -2.636 28.173 540 H VAL 69 HN VAL 69 -3.145 -2.611 22.797 541 HA VAL 69 HA VAL 69 -2.385 -0.151 21.323 542 HB VAL 69 HB VAL 69 -3.022 -2.417 19.650 543 1HG1 VAL 69 HG11 VAL 69 -1.629 -0.897 18.623 544 2HG1 VAL 69 HG12 VAL 69 -0.398 -1.981 19.269 545 3HG1 VAL 69 HG13 VAL 69 -0.798 -0.492 20.123 546 1HG2 VAL 69 HG21 VAL 69 -1.103 -2.846 21.934 547 2HG2 VAL 69 HG22 VAL 69 -0.941 -3.727 20.416 548 3HG2 VAL 69 HG23 VAL 69 -2.406 -3.900 21.385 549 H HIS 70 HN HIS 70 -3.909 0.179 19.328 550 HA HIS 70 HA HIS 70 -6.702 -0.541 20.088 551 1HB HIS 70 HB2 HIS 70 -5.852 1.939 20.426 552 2HB HIS 70 HB1 HIS 70 -6.067 2.044 18.678 553 HD1 HIS 70 HD1 HIS 70 -8.472 2.071 17.778 554 HD2 HIS 70 HD2 HIS 70 -8.286 1.473 21.901 555 HE1 HIS 70 HE1 HIS 70 -10.842 2.302 18.644 556 H ILE 71 HN ILE 71 -7.249 -2.016 18.524 557 HA ILE 71 HA ILE 71 -6.257 -1.727 15.799 558 HB ILE 71 HB ILE 71 -6.550 -3.924 15.659 559 1HG1 ILE 71 HG12 ILE 71 -8.810 -4.845 16.728 560 2HG1 ILE 71 HG11 ILE 71 -9.298 -3.208 16.349 561 1HG2 ILE 71 HG21 ILE 71 -7.593 -4.200 18.394 562 2HG2 ILE 71 HG22 ILE 71 -6.010 -3.447 18.197 563 3HG2 ILE 71 HG23 ILE 71 -6.313 -5.063 17.568 564 1HD1 ILE 71 HD11 ILE 71 -7.928 -5.109 14.456 565 2HD1 ILE 71 HD12 ILE 71 -8.445 -3.467 14.064 566 3HD1 ILE 71 HD13 ILE 71 -9.650 -4.714 14.413 567 H VAL 72 HN VAL 72 -7.478 -1.188 14.017 568 HA VAL 72 HA VAL 72 -10.360 -0.578 14.459 569 HB VAL 72 HB VAL 72 -8.339 1.265 13.138 570 1HG1 VAL 72 HG11 VAL 72 -11.360 1.331 13.326 571 2HG1 VAL 72 HG12 VAL 72 -10.363 1.395 11.872 572 3HG1 VAL 72 HG13 VAL 72 -10.400 2.769 12.977 573 1HG2 VAL 72 HG21 VAL 72 -9.977 2.471 15.171 574 2HG2 VAL 72 HG22 VAL 72 -8.223 2.288 15.146 575 3HG2 VAL 72 HG23 VAL 72 -9.232 1.015 15.831 576 H GLN 73 HN GLN 73 -11.606 -1.298 12.757 577 HA GLN 73 HA GLN 73 -10.125 -2.203 10.321 578 1HB GLN 73 HB2 GLN 73 -11.119 -4.026 11.719 579 2HB GLN 73 HB1 GLN 73 -12.710 -3.320 11.432 580 1HG GLN 73 HG2 GLN 73 -11.690 -3.472 8.884 581 2HG GLN 73 HG1 GLN 73 -11.023 -4.923 9.634 582 1HE2 GLN 73 HE21 GLN 73 -13.887 -3.543 8.290 583 2HE2 GLN 73 HE22 GLN 73 -14.955 -4.789 8.722 584 H ARG 74 HN ARG 74 -10.711 -1.205 8.445 585 HA ARG 74 HA ARG 74 -12.583 0.915 8.308 586 1HB ARG 74 HB2 ARG 74 -11.091 -0.756 6.360 587 2HB ARG 74 HB1 ARG 74 -12.539 0.030 5.730 588 1HG ARG 74 HG2 ARG 74 -10.625 1.645 7.381 589 2HG ARG 74 HG1 ARG 74 -10.213 1.292 5.702 590 1HD ARG 74 HD2 ARG 74 -11.811 2.682 4.888 591 2HD ARG 74 HD1 ARG 74 -12.993 2.181 6.098 592 HE ARG 74 HE ARG 74 -12.222 3.930 7.526 593 1HH1 ARG 74 HH11 ARG 74 -11.673 4.931 4.553 594 2HH1 ARG 74 HH12 ARG 74 -10.186 5.775 4.829 595 1HH2 ARG 74 HH21 ARG 74 -9.687 4.408 7.976 596 2HH2 ARG 74 HH22 ARG 74 -9.065 5.482 6.768 597 HA PRO 75 HA PRO 75 -16.139 -1.836 8.449 598 1HB PRO 75 HB2 PRO 75 -17.943 0.123 9.095 599 2HB PRO 75 HB1 PRO 75 -16.917 -0.719 10.283 600 1HG PRO 75 HG2 PRO 75 -16.662 2.037 9.214 601 2HG PRO 75 HG1 PRO 75 -16.083 1.367 10.744 602 1HD PRO 75 HD2 PRO 75 -14.506 1.880 8.438 603 2HD PRO 75 HD1 PRO 75 -14.005 0.957 9.871 604 H ARG 76 HN ARG 76 -17.338 -2.387 6.643 605 HA ARG 76 HA ARG 76 -17.470 -0.660 4.343 606 1HB ARG 76 HB2 ARG 76 -19.393 -2.910 5.045 607 2HB ARG 76 HB1 ARG 76 -19.035 -2.283 3.435 608 1HG ARG 76 HG2 ARG 76 -16.675 -3.037 3.698 609 2HG ARG 76 HG1 ARG 76 -17.099 -3.738 5.260 610 1HD ARG 76 HD2 ARG 76 -18.296 -5.462 4.319 611 2HD ARG 76 HD1 ARG 76 -18.788 -4.500 2.926 612 HE ARG 76 HE ARG 76 -16.297 -4.770 2.214 613 1HH1 ARG 76 HH21 ARG 76 -18.271 -7.100 1.768 614 2HH1 ARG 76 HH22 ARG 76 -17.298 -8.438 2.281 615 1HH2 ARG 76 HH11 ARG 76 -14.949 -6.454 3.888 616 2HH2 ARG 76 HH12 ARG 76 -15.421 -8.072 3.491 617 H ARG 77 HN ARG 77 -19.701 0.297 3.604 618 HA ARG 77 HA ARG 77 -20.666 2.022 5.628 619 1HB ARG 77 HB2 ARG 77 -21.223 1.577 2.898 620 2HB ARG 77 HB1 ARG 77 -22.771 1.426 3.732 621 1HG ARG 77 HG2 ARG 77 -22.799 3.700 3.590 622 2HG ARG 77 HG1 ARG 77 -21.720 3.614 4.983 623 1HD ARG 77 HD2 ARG 77 -20.000 4.439 3.787 624 2HD ARG 77 HD1 ARG 77 -20.236 3.230 2.526 625 HE ARG 77 HE ARG 77 -22.028 4.805 1.618 626 1HH1 ARG 77 HH11 ARG 77 -19.433 5.899 0.847 627 2HH1 ARG 77 HH12 ARG 77 -19.466 7.510 1.479 628 1HH2 ARG 77 HH21 ARG 77 -22.087 6.887 3.659 629 2HH2 ARG 77 HH22 ARG 77 -20.968 8.069 3.068 630 H ARG 78 HN ARG 78 -21.124 0.805 7.548 631 HA ARG 78 HA ARG 78 -22.941 -1.460 7.469 632 1HB ARG 78 HB2 ARG 78 -21.182 -0.968 9.262 633 2HB ARG 78 HB1 ARG 78 -22.317 0.223 9.900 634 1HG ARG 78 HG2 ARG 78 -23.935 -1.413 10.416 635 2HG ARG 78 HG1 ARG 78 -23.192 -2.608 9.353 636 1HD ARG 78 HD2 ARG 78 -21.169 -1.947 11.163 637 2HD ARG 78 HD1 ARG 78 -22.630 -2.036 12.149 638 HE ARG 78 HE ARG 78 -22.934 -4.349 11.356 639 1HH1 ARG 78 HH21 ARG 78 -19.975 -3.729 12.353 640 2HH1 ARG 78 HH22 ARG 78 -19.112 -4.771 11.272 641 1HH2 ARG 78 HH11 ARG 78 -21.822 -5.283 9.173 642 2HH2 ARG 78 HH12 ARG 78 -20.156 -5.649 9.474 Start of MODEL 6 1 1H MET 1 HT1 MET 1 11.035 -13.726 26.256 2 2H MET 1 HT2 MET 1 12.363 -14.758 26.018 3 3H MET 1 HT3 MET 1 10.849 -15.150 25.356 4 HA MET 1 HA MET 1 12.776 -13.097 24.493 5 1HB MET 1 HB2 MET 1 11.192 -15.323 23.196 6 2HB MET 1 HB1 MET 1 12.053 -14.102 22.258 7 1HG MET 1 HG2 MET 1 14.154 -14.707 23.423 8 2HG MET 1 HG1 MET 1 13.287 -15.955 24.317 9 1HE MET 1 HE1 MET 1 14.240 -18.798 22.514 10 2HE MET 1 HE2 MET 1 14.141 -17.811 23.970 11 3HE MET 1 HE3 MET 1 15.517 -17.632 22.885 12 H GLY 2 HN GLY 2 11.286 -11.405 25.450 13 1HA GLY 2 HA2 GLY 2 9.931 -9.571 24.698 14 2HA GLY 2 HA1 GLY 2 9.320 -10.595 23.394 15 H MET 3 HN MET 3 7.515 -9.151 24.848 16 HA MET 3 HA MET 3 6.229 -11.237 26.557 17 1HB MET 3 HB2 MET 3 7.104 -9.103 27.718 18 2HB MET 3 HB1 MET 3 5.774 -8.284 26.899 19 1HG MET 3 HG2 MET 3 4.236 -9.156 28.289 20 2HG MET 3 HG1 MET 3 4.945 -10.770 28.197 21 1HE MET 3 HE1 MET 3 4.880 -11.662 29.944 22 2HE MET 3 HE2 MET 3 4.844 -10.963 31.560 23 3HE MET 3 HE3 MET 3 6.344 -11.644 30.936 24 H ILE 4 HN ILE 4 3.835 -10.865 26.725 25 HA ILE 4 HA ILE 4 2.640 -10.816 24.093 26 HB ILE 4 HB ILE 4 1.890 -11.521 26.782 27 1HG1 ILE 4 HG12 ILE 4 -0.141 -12.342 25.105 28 2HG1 ILE 4 HG11 ILE 4 1.207 -12.158 23.987 29 1HG2 ILE 4 HG21 ILE 4 -0.462 -10.691 26.667 30 2HG2 ILE 4 HG22 ILE 4 -0.027 -9.748 25.242 31 3HG2 ILE 4 HG23 ILE 4 0.707 -9.372 26.806 32 1HD1 ILE 4 HD11 ILE 4 0.850 -14.423 25.326 33 2HD1 ILE 4 HD12 ILE 4 1.721 -13.542 26.580 34 3HD1 ILE 4 HD13 ILE 4 2.468 -13.799 25.004 35 H VAL 5 HN VAL 5 1.565 -9.118 23.095 36 HA VAL 5 HA VAL 5 1.550 -6.533 24.581 37 HB VAL 5 HB VAL 5 0.592 -6.274 21.881 38 1HG1 VAL 5 HG11 VAL 5 2.635 -5.150 23.684 39 2HG1 VAL 5 HG12 VAL 5 1.535 -4.329 22.575 40 3HG1 VAL 5 HG13 VAL 5 3.032 -5.037 21.970 41 1HG2 VAL 5 HG21 VAL 5 1.798 -8.061 21.019 42 2HG2 VAL 5 HG22 VAL 5 3.029 -7.975 22.276 43 3HG2 VAL 5 HG23 VAL 5 3.030 -6.803 20.959 44 H PHE 6 HN PHE 6 -0.489 -5.469 24.839 45 HA PHE 6 HA PHE 6 -2.745 -7.363 24.732 46 1HB PHE 6 HB2 PHE 6 -2.098 -5.750 26.694 47 2HB PHE 6 HB1 PHE 6 -2.969 -4.547 25.737 48 HD1 PHE 6 HD1 PHE 6 -3.480 -8.202 26.420 49 HD2 PHE 6 HD2 PHE 6 -5.142 -4.241 26.512 50 HE1 PHE 6 HE1 PHE 6 -5.643 -9.128 27.203 51 HE2 PHE 6 HE2 PHE 6 -7.305 -5.170 27.299 52 HZ PHE 6 HZ PHE 6 -7.556 -7.611 27.643 53 H VAL 7 HN VAL 7 -3.737 -7.440 22.758 54 HA VAL 7 HA VAL 7 -4.043 -4.906 21.234 55 HB VAL 7 HB VAL 7 -4.386 -7.827 20.545 56 1HG1 VAL 7 HG11 VAL 7 -5.379 -7.269 18.455 57 2HG1 VAL 7 HG12 VAL 7 -5.046 -5.554 18.662 58 3HG1 VAL 7 HG13 VAL 7 -6.294 -6.335 19.635 59 1HG2 VAL 7 HG21 VAL 7 -2.757 -7.219 18.774 60 2HG2 VAL 7 HG22 VAL 7 -2.130 -6.854 20.381 61 3HG2 VAL 7 HG23 VAL 7 -2.752 -5.556 19.363 62 H ARG 8 HN ARG 8 -5.926 -3.769 21.617 63 HA ARG 8 HA ARG 8 -8.203 -5.242 22.773 64 1HB ARG 8 HB2 ARG 8 -8.341 -2.376 21.841 65 2HB ARG 8 HB1 ARG 8 -9.194 -3.142 23.183 66 1HG ARG 8 HG2 ARG 8 -6.189 -2.765 23.133 67 2HG ARG 8 HG1 ARG 8 -7.290 -1.602 23.863 68 1HD ARG 8 HD2 ARG 8 -7.186 -4.531 24.633 69 2HD ARG 8 HD1 ARG 8 -6.303 -3.263 25.488 70 HE ARG 8 HE ARG 8 -9.258 -3.586 25.450 71 1HH1 ARG 8 HH21 ARG 8 -7.076 -3.382 27.745 72 2HH1 ARG 8 HH22 ARG 8 -7.560 -1.872 28.442 73 1HH2 ARG 8 HH11 ARG 8 -9.602 -0.994 25.784 74 2HH2 ARG 8 HH12 ARG 8 -8.989 -0.524 27.334 75 H PHE 9 HN PHE 9 -8.836 -6.627 21.141 76 HA PHE 9 HA PHE 9 -9.095 -5.899 18.378 77 1HB PHE 9 HB2 PHE 9 -9.599 -8.195 20.086 78 2HB PHE 9 HB1 PHE 9 -10.828 -8.026 18.840 79 HD1 PHE 9 HD1 PHE 9 -8.651 -6.693 16.750 80 HD2 PHE 9 HD2 PHE 9 -8.848 -10.238 19.223 81 HE1 PHE 9 HE1 PHE 9 -7.158 -7.904 15.208 82 HE2 PHE 9 HE2 PHE 9 -7.323 -11.397 17.675 83 HZ PHE 9 HZ PHE 9 -6.488 -10.243 15.666 84 H ASN 10 HN ASN 10 -10.775 -4.922 17.334 85 HA ASN 10 HA ASN 10 -12.883 -3.993 16.940 86 1HB ASN 10 HB2 ASN 10 -13.532 -6.381 17.700 87 2HB ASN 10 HB1 ASN 10 -13.959 -5.634 19.234 88 1HD2 ASN 10 HD21 ASN 10 -16.261 -5.928 18.958 89 2HD2 ASN 10 HD22 ASN 10 -17.144 -5.079 17.783 90 H SER 11 HN SER 11 -13.408 -4.456 20.449 91 HA SER 11 HA SER 11 -12.474 -1.906 21.280 92 1HB SER 11 HB2 SER 11 -14.289 -1.170 19.682 93 2HB SER 11 HB1 SER 11 -15.456 -1.951 20.744 94 HG SER 11 HG SER 11 -14.901 -0.541 22.362 95 H SER 12 HN SER 12 -14.820 -4.505 21.676 96 HA SER 12 HA SER 12 -14.813 -4.014 24.621 97 1HB SER 12 HB2 SER 12 -16.696 -5.550 22.824 98 2HB SER 12 HB1 SER 12 -16.772 -5.632 24.581 99 HG SER 12 HG SER 12 -17.968 -3.913 24.340 100 H TYR 13 HN TYR 13 -13.191 -5.823 22.389 101 HA TYR 13 HA TYR 13 -12.817 -8.045 24.360 102 1HB TYR 13 HB2 TYR 13 -13.840 -8.336 21.815 103 2HB TYR 13 HB1 TYR 13 -12.124 -8.670 21.572 104 HD1 TYR 13 HD1 TYR 13 -15.140 -9.650 23.500 105 HD2 TYR 13 HD2 TYR 13 -11.091 -10.639 22.465 106 HE1 TYR 13 HE1 TYR 13 -15.427 -11.893 24.519 107 HE2 TYR 13 HE2 TYR 13 -11.378 -12.882 23.483 108 HH TYR 13 HH TYR 13 -12.709 -14.130 24.831 109 H GLY 14 HN GLY 14 -10.622 -9.102 24.099 110 1HA GLY 14 HA2 GLY 14 -8.533 -7.382 22.916 111 2HA GLY 14 HA1 GLY 14 -8.470 -7.588 24.669 112 H PHE 15 HN PHE 15 -7.148 -8.773 21.921 113 HA PHE 15 HA PHE 15 -6.970 -11.545 23.011 114 1HB PHE 15 HB2 PHE 15 -7.080 -12.340 20.895 115 2HB PHE 15 HB1 PHE 15 -7.714 -10.748 20.502 116 HD1 PHE 15 HD1 PHE 15 -6.347 -9.073 19.347 117 HD2 PHE 15 HD2 PHE 15 -4.744 -12.904 20.482 118 HE1 PHE 15 HE1 PHE 15 -4.347 -8.686 17.922 119 HE2 PHE 15 HE2 PHE 15 -2.767 -12.506 19.040 120 HZ PHE 15 HZ PHE 15 -2.573 -10.391 17.762 121 HA PRO 16 HA PRO 16 -2.773 -10.373 23.909 122 1HB PRO 16 HB2 PRO 16 -2.052 -12.784 25.006 123 2HB PRO 16 HB1 PRO 16 -2.992 -11.557 25.873 124 1HG PRO 16 HG2 PRO 16 -3.913 -14.130 24.675 125 2HG PRO 16 HG1 PRO 16 -4.587 -13.222 26.040 126 1HD PRO 16 HD2 PRO 16 -5.624 -13.257 23.410 127 2HD PRO 16 HD1 PRO 16 -6.056 -12.097 24.684 128 H VAL 17 HN VAL 17 -1.091 -10.412 22.514 129 HA VAL 17 HA VAL 17 -0.733 -12.820 20.772 130 HB VAL 17 HB VAL 17 -1.492 -10.760 19.582 131 1HG1 VAL 17 HG11 VAL 17 0.243 -8.919 19.422 132 2HG1 VAL 17 HG12 VAL 17 1.083 -9.709 20.759 133 3HG1 VAL 17 HG13 VAL 17 -0.544 -9.067 20.996 134 1HG2 VAL 17 HG21 VAL 17 0.452 -10.722 17.941 135 2HG2 VAL 17 HG22 VAL 17 -0.179 -12.329 18.306 136 3HG2 VAL 17 HG23 VAL 17 1.314 -11.774 19.066 137 H GLU 18 HN GLU 18 1.425 -13.557 20.519 138 HA GLU 18 HA GLU 18 3.302 -12.501 22.542 139 1HB GLU 18 HB2 GLU 18 2.790 -15.043 21.894 140 2HB GLU 18 HB1 GLU 18 4.049 -14.733 20.697 141 1HG GLU 18 HG2 GLU 18 4.862 -13.641 23.233 142 2HG GLU 18 HG1 GLU 18 4.396 -15.328 23.447 143 H VAL 19 HN VAL 19 4.600 -10.840 21.917 144 HA VAL 19 HA VAL 19 5.927 -11.033 19.270 145 HB VAL 19 HB VAL 19 4.900 -9.253 18.335 146 1HG1 VAL 19 HG11 VAL 19 2.895 -10.253 19.266 147 2HG1 VAL 19 HG12 VAL 19 2.754 -8.502 19.425 148 3HG1 VAL 19 HG13 VAL 19 3.183 -9.483 20.826 149 1HG2 VAL 19 HG21 VAL 19 5.273 -7.903 21.028 150 2HG2 VAL 19 HG22 VAL 19 4.656 -7.090 19.590 151 3HG2 VAL 19 HG23 VAL 19 6.301 -7.726 19.605 152 H ASP 20 HN ASP 20 7.675 -9.332 19.114 153 HA ASP 20 HA ASP 20 8.741 -8.622 21.811 154 1HB ASP 20 HB2 ASP 20 10.430 -9.592 19.487 155 2HB ASP 20 HB1 ASP 20 10.963 -9.285 21.140 156 H SER 21 HN SER 21 10.848 -7.123 21.224 157 HA SER 21 HA SER 21 9.795 -4.679 20.210 158 1HB SER 21 HB2 SER 21 12.678 -5.580 20.467 159 2HB SER 21 HB1 SER 21 12.158 -3.914 20.224 160 HG SER 21 HG SER 21 12.510 -4.961 22.488 161 H ASP 22 HN ASP 22 10.635 -7.441 18.486 162 HA ASP 22 HA ASP 22 11.668 -6.056 16.116 163 1HB ASP 22 HB2 ASP 22 11.088 -8.942 16.789 164 2HB ASP 22 HB1 ASP 22 11.494 -8.440 15.147 165 H THR 23 HN THR 23 8.652 -7.775 17.065 166 HA THR 23 HA THR 23 7.294 -7.830 14.664 167 HB THR 23 HB THR 23 5.570 -6.708 16.729 168 HG1 THR 23 HG1 THR 23 6.960 -9.074 17.383 169 1HG2 THR 23 HG21 THR 23 4.209 -8.400 16.031 170 2HG2 THR 23 HG22 THR 23 5.525 -9.576 16.005 171 3HG2 THR 23 HG23 THR 23 5.329 -8.444 14.668 172 H SER 24 HN SER 24 7.102 -6.318 13.114 173 HA SER 24 HA SER 24 7.644 -3.548 13.509 174 1HB SER 24 HB2 SER 24 5.820 -4.432 11.298 175 2HB SER 24 HB1 SER 24 7.164 -3.289 11.246 176 HG SER 24 HG SER 24 8.577 -5.059 11.452 177 H ILE 25 HN ILE 25 4.989 -2.909 11.940 178 HA ILE 25 HA ILE 25 3.174 -2.914 14.292 179 HB ILE 25 HB ILE 25 3.945 -0.529 12.590 180 1HG1 ILE 25 HG12 ILE 25 5.519 -1.062 14.363 181 2HG1 ILE 25 HG11 ILE 25 4.613 0.386 14.805 182 1HG2 ILE 25 HG21 ILE 25 1.548 -1.080 14.268 183 2HG2 ILE 25 HG22 ILE 25 1.764 0.026 12.903 184 3HG2 ILE 25 HG23 ILE 25 2.330 0.493 14.508 185 1HD1 ILE 25 HD11 ILE 25 3.068 -1.736 15.789 186 2HD1 ILE 25 HD12 ILE 25 4.089 -0.658 16.741 187 3HD1 ILE 25 HD13 ILE 25 4.731 -2.197 16.162 188 H LEU 26 HN LEU 26 3.570 -2.704 10.744 189 HA LEU 26 HA LEU 26 0.654 -2.839 10.361 190 1HB LEU 26 HB2 LEU 26 1.699 -1.835 8.493 191 2HB LEU 26 HB1 LEU 26 3.023 -3.000 8.504 192 HG LEU 26 HG LEU 26 1.143 -3.249 6.726 193 1HD1 LEU 26 HD11 LEU 26 2.751 -5.097 8.252 194 2HD1 LEU 26 HD12 LEU 26 2.381 -5.113 6.522 195 3HD1 LEU 26 HD13 LEU 26 1.284 -5.890 7.665 196 1HD2 LEU 26 HD21 LEU 26 -0.947 -3.795 7.409 197 2HD2 LEU 26 HD22 LEU 26 -0.442 -3.444 9.052 198 3HD2 LEU 26 HD23 LEU 26 -0.334 -5.089 8.432 199 H GLN 27 HN GLN 27 3.546 -4.704 10.529 200 HA GLN 27 HA GLN 27 2.636 -7.304 9.883 201 1HB GLN 27 HB2 GLN 27 4.797 -5.984 11.397 202 2HB GLN 27 HB1 GLN 27 4.384 -7.586 12.037 203 1HG GLN 27 HG2 GLN 27 4.462 -7.686 9.151 204 2HG GLN 27 HG1 GLN 27 5.968 -6.995 9.757 205 1HE2 GLN 27 HE21 GLN 27 4.051 -9.923 9.575 206 2HE2 GLN 27 HE22 GLN 27 5.172 -10.936 10.349 207 H LEU 28 HN LEU 28 2.301 -5.148 12.597 208 HA LEU 28 HA LEU 28 1.046 -6.981 14.470 209 1HB LEU 28 HB2 LEU 28 2.015 -4.544 14.818 210 2HB LEU 28 HB1 LEU 28 0.404 -4.045 14.304 211 HG LEU 28 HG LEU 28 0.443 -4.219 16.723 212 1HD1 LEU 28 HD11 LEU 28 -1.556 -5.378 16.900 213 2HD1 LEU 28 HD12 LEU 28 -0.984 -6.721 15.910 214 3HD1 LEU 28 HD13 LEU 28 -1.466 -5.203 15.143 215 1HD2 LEU 28 HD21 LEU 28 1.015 -7.161 16.502 216 2HD2 LEU 28 HD22 LEU 28 1.256 -6.082 17.877 217 3HD2 LEU 28 HD23 LEU 28 2.355 -6.012 16.495 218 H LYS 29 HN LYS 29 -0.254 -4.593 12.167 219 HA LYS 29 HA LYS 29 -2.946 -5.319 12.673 220 1HB LYS 29 HB2 LYS 29 -1.672 -4.113 10.220 221 2HB LYS 29 HB1 LYS 29 -3.414 -4.314 10.420 222 1HG LYS 29 HG2 LYS 29 -3.405 -2.311 11.464 223 2HG LYS 29 HG1 LYS 29 -2.591 -3.135 12.819 224 1HD LYS 29 HD2 LYS 29 -0.423 -2.657 11.700 225 2HD LYS 29 HD1 LYS 29 -1.267 -1.732 10.470 226 1HE LYS 29 HE2 LYS 29 -2.210 -0.325 12.431 227 2HE LYS 29 HE1 LYS 29 -0.977 -1.113 13.416 228 1HZ LYS 29 HZ1 LYS 29 0.087 0.772 12.659 229 2HZ LYS 29 HZ2 LYS 29 -0.631 0.702 11.122 230 3HZ LYS 29 HZ3 LYS 29 0.598 -0.393 11.538 231 H GLU 30 HN GLU 30 -0.437 -6.965 10.963 232 HA GLU 30 HA GLU 30 -2.181 -8.545 9.248 233 1HB GLU 30 HB2 GLU 30 0.684 -9.015 10.121 234 2HB GLU 30 HB1 GLU 30 -0.157 -9.920 8.862 235 1HG GLU 30 HG2 GLU 30 -0.404 -7.057 8.430 236 2HG GLU 30 HG1 GLU 30 1.289 -7.543 8.524 237 H VAL 31 HN VAL 31 -0.267 -9.351 12.179 238 HA VAL 31 HA VAL 31 -1.431 -11.968 12.545 239 HB VAL 31 HB VAL 31 -0.150 -10.038 14.529 240 1HG1 VAL 31 HG11 VAL 31 0.069 -11.929 16.019 241 2HG1 VAL 31 HG12 VAL 31 -0.578 -13.032 14.804 242 3HG1 VAL 31 HG13 VAL 31 -1.628 -11.826 15.549 243 1HG2 VAL 31 HG21 VAL 31 1.661 -10.574 13.256 244 2HG2 VAL 31 HG22 VAL 31 0.855 -11.956 12.515 245 3HG2 VAL 31 HG23 VAL 31 1.591 -12.116 14.109 246 H VAL 32 HN VAL 32 -2.118 -8.805 13.952 247 HA VAL 32 HA VAL 32 -4.377 -9.633 15.505 248 HB VAL 32 HB VAL 32 -2.996 -7.436 15.642 249 1HG1 VAL 32 HG11 VAL 32 -4.715 -5.831 14.148 250 2HG1 VAL 32 HG12 VAL 32 -4.104 -7.107 13.087 251 3HG1 VAL 32 HG13 VAL 32 -2.979 -6.092 13.995 252 1HG2 VAL 32 HG21 VAL 32 -5.891 -6.704 15.629 253 2HG2 VAL 32 HG22 VAL 32 -4.664 -6.448 16.873 254 3HG2 VAL 32 HG23 VAL 32 -5.395 -8.038 16.679 255 H ALA 33 HN ALA 33 -3.837 -8.869 12.134 256 HA ALA 33 HA ALA 33 -6.638 -8.600 11.389 257 1HB ALA 33 HB1 ALA 33 -5.306 -7.701 9.720 258 2HB ALA 33 HB2 ALA 33 -5.530 -9.324 9.069 259 3HB ALA 33 HB3 ALA 33 -4.045 -8.917 9.929 260 H LYS 34 HN LYS 34 -4.393 -11.241 11.813 261 HA LYS 34 HA LYS 34 -5.875 -13.270 10.411 262 1HB LYS 34 HB2 LYS 34 -4.189 -13.799 12.866 263 2HB LYS 34 HB1 LYS 34 -4.410 -14.827 11.447 264 1HG LYS 34 HG2 LYS 34 -2.918 -12.223 11.613 265 2HG LYS 34 HG1 LYS 34 -2.219 -13.811 11.354 266 1HD LYS 34 HD2 LYS 34 -4.322 -12.989 9.426 267 2HD LYS 34 HD1 LYS 34 -2.794 -12.114 9.325 268 1HE LYS 34 HE2 LYS 34 -2.895 -15.131 9.443 269 2HE LYS 34 HE1 LYS 34 -2.991 -14.254 7.915 270 1HZ LYS 34 HZ1 LYS 34 -0.881 -13.313 8.258 271 2HZ LYS 34 HZ2 LYS 34 -0.705 -14.956 8.650 272 3HZ LYS 34 HZ3 LYS 34 -0.827 -13.795 9.884 273 H ARG 35 HN ARG 35 -5.690 -12.383 13.838 274 HA ARG 35 HA ARG 35 -7.829 -14.220 14.566 275 1HB ARG 35 HB2 ARG 35 -6.309 -12.079 16.050 276 2HB ARG 35 HB1 ARG 35 -7.658 -12.951 16.787 277 1HG ARG 35 HG2 ARG 35 -6.075 -14.467 17.379 278 2HG ARG 35 HG1 ARG 35 -6.221 -15.012 15.708 279 1HD ARG 35 HD2 ARG 35 -4.458 -13.184 15.180 280 2HD ARG 35 HD1 ARG 35 -4.141 -13.198 16.918 281 HE ARG 35 HE ARG 35 -2.717 -14.919 15.729 282 1HH1 ARG 35 HH11 ARG 35 -4.539 -16.020 17.998 283 2HH1 ARG 35 HH12 ARG 35 -5.054 -17.506 17.275 284 1HH2 ARG 35 HH21 ARG 35 -4.038 -16.614 14.082 285 2HH2 ARG 35 HH22 ARG 35 -4.776 -17.841 15.058 286 H GLN 36 HN GLN 36 -7.745 -10.892 13.501 287 HA GLN 36 HA GLN 36 -10.352 -10.251 14.682 288 1HB GLN 36 HB2 GLN 36 -8.234 -8.774 13.492 289 2HB GLN 36 HB1 GLN 36 -9.681 -8.457 12.553 290 1HG GLN 36 HG2 GLN 36 -10.030 -8.457 15.492 291 2HG GLN 36 HG1 GLN 36 -9.073 -7.128 14.831 292 1HE2 GLN 36 HE21 GLN 36 -12.173 -7.822 15.690 293 2HE2 GLN 36 HE22 GLN 36 -13.016 -6.856 14.577 294 H GLY 37 HN GLY 37 -9.339 -11.928 11.894 295 1HA GLY 37 HA2 GLY 37 -10.663 -12.903 10.190 296 2HA GLY 37 HA1 GLY 37 -12.088 -12.201 10.967 297 H VAL 38 HN VAL 38 -9.343 -10.249 10.219 298 HA VAL 38 HA VAL 38 -10.533 -9.165 7.730 299 HB VAL 38 HB VAL 38 -9.779 -7.025 9.580 300 1HG1 VAL 38 HG11 VAL 38 -11.229 -6.013 8.185 301 2HG1 VAL 38 HG12 VAL 38 -12.539 -6.992 8.844 302 3HG1 VAL 38 HG13 VAL 38 -11.620 -7.569 7.453 303 1HG2 VAL 38 HG21 VAL 38 -10.719 -8.832 11.154 304 2HG2 VAL 38 HG22 VAL 38 -12.253 -8.607 10.319 305 3HG2 VAL 38 HG23 VAL 38 -11.523 -7.264 11.197 306 HA PRO 39 HA PRO 39 -6.329 -8.680 6.758 307 1HB PRO 39 HB2 PRO 39 -6.529 -6.623 4.936 308 2HB PRO 39 HB1 PRO 39 -7.007 -8.298 4.608 309 1HG PRO 39 HG2 PRO 39 -8.734 -5.925 5.078 310 2HG PRO 39 HG1 PRO 39 -9.116 -7.442 4.252 311 1HD PRO 39 HD2 PRO 39 -9.867 -6.707 6.885 312 2HD PRO 39 HD1 PRO 39 -10.077 -8.296 6.122 313 H ALA 40 HN ALA 40 -4.525 -7.586 7.433 314 HA ALA 40 HA ALA 40 -4.470 -5.758 9.527 315 1HB ALA 40 HB1 ALA 40 -2.423 -5.547 7.349 316 2HB ALA 40 HB2 ALA 40 -2.571 -7.052 8.261 317 3HB ALA 40 HB3 ALA 40 -2.193 -5.547 9.097 318 H ASP 41 HN ASP 41 -4.967 -5.114 6.131 319 HA ASP 41 HA ASP 41 -4.350 -2.353 6.076 320 1HB ASP 41 HB2 ASP 41 -4.960 -3.895 4.113 321 2HB ASP 41 HB1 ASP 41 -6.643 -3.579 4.535 322 H GLN 42 HN GLN 42 -7.653 -3.743 6.311 323 HA GLN 42 HA GLN 42 -8.887 -1.306 7.160 324 1HB GLN 42 HB2 GLN 42 -9.639 -4.216 7.549 325 2HB GLN 42 HB1 GLN 42 -10.664 -2.885 8.071 326 1HG GLN 42 HG2 GLN 42 -11.081 -2.158 5.889 327 2HG GLN 42 HG1 GLN 42 -9.635 -2.941 5.251 328 1HE2 GLN 42 HE21 GLN 42 -13.010 -3.437 6.091 329 2HE2 GLN 42 HE22 GLN 42 -13.115 -5.032 5.518 330 H LEU 43 HN LEU 43 -7.576 -4.048 8.935 331 HA LEU 43 HA LEU 43 -8.188 -3.157 11.595 332 1HB LEU 43 HB2 LEU 43 -7.118 -5.393 10.392 333 2HB LEU 43 HB1 LEU 43 -5.714 -4.698 11.199 334 HG LEU 43 HG LEU 43 -7.095 -4.553 13.294 335 1HD1 LEU 43 HD11 LEU 43 -9.324 -4.640 12.240 336 2HD1 LEU 43 HD12 LEU 43 -9.126 -5.992 13.365 337 3HD1 LEU 43 HD13 LEU 43 -8.977 -6.255 11.622 338 1HD2 LEU 43 HD21 LEU 43 -7.171 -7.401 12.564 339 2HD2 LEU 43 HD22 LEU 43 -6.284 -6.602 13.853 340 3HD2 LEU 43 HD23 LEU 43 -5.639 -6.594 12.192 341 H ARG 44 HN ARG 44 -6.874 -1.897 13.043 342 HA ARG 44 HA ARG 44 -4.217 -1.117 12.112 343 1HB ARG 44 HB2 ARG 44 -6.452 0.624 11.644 344 2HB ARG 44 HB1 ARG 44 -5.265 1.392 12.705 345 1HG ARG 44 HG2 ARG 44 -3.919 1.727 10.925 346 2HG ARG 44 HG1 ARG 44 -3.798 -0.031 10.732 347 1HD ARG 44 HD2 ARG 44 -4.953 0.131 8.812 348 2HD ARG 44 HD1 ARG 44 -6.338 0.751 9.713 349 HE ARG 44 HE ARG 44 -5.869 2.760 8.578 350 1HH1 ARG 44 HH11 ARG 44 -3.163 1.020 7.929 351 2HH1 ARG 44 HH12 ARG 44 -2.031 2.322 8.077 352 1HH2 ARG 44 HH21 ARG 44 -4.325 4.509 9.483 353 2HH2 ARG 44 HH22 ARG 44 -2.688 4.295 8.961 354 H VAL 45 HN VAL 45 -2.996 -1.351 13.749 355 HA VAL 45 HA VAL 45 -4.023 -1.089 16.489 356 HB VAL 45 HB VAL 45 -1.219 -1.845 15.683 357 1HG1 VAL 45 HG11 VAL 45 -2.730 -3.286 17.778 358 2HG1 VAL 45 HG12 VAL 45 -2.473 -1.572 18.104 359 3HG1 VAL 45 HG13 VAL 45 -1.092 -2.630 17.820 360 1HG2 VAL 45 HG21 VAL 45 -2.788 -4.178 15.983 361 2HG2 VAL 45 HG22 VAL 45 -2.036 -3.577 14.504 362 3HG2 VAL 45 HG23 VAL 45 -3.694 -3.129 14.896 363 H ILE 46 HN ILE 46 -3.708 0.700 17.641 364 HA ILE 46 HA ILE 46 -1.326 2.388 17.049 365 HB ILE 46 HB ILE 46 -4.127 3.362 17.711 366 1HG1 ILE 46 HG12 ILE 46 -2.917 4.194 15.175 367 2HG1 ILE 46 HG11 ILE 46 -3.083 2.432 15.269 368 1HG2 ILE 46 HG21 ILE 46 -2.863 5.552 16.871 369 2HG2 ILE 46 HG22 ILE 46 -1.447 4.680 17.449 370 3HG2 ILE 46 HG23 ILE 46 -2.766 5.048 18.557 371 1HD1 ILE 46 HD11 ILE 46 -5.114 4.306 14.683 372 2HD1 ILE 46 HD12 ILE 46 -5.453 3.738 16.319 373 3HD1 ILE 46 HD13 ILE 46 -5.316 2.580 14.996 374 H PHE 47 HN PHE 47 -0.076 2.353 18.849 375 HA PHE 47 HA PHE 47 -1.178 1.392 21.399 376 1HB PHE 47 HB2 PHE 47 0.913 0.523 21.068 377 2HB PHE 47 HB1 PHE 47 1.519 1.992 20.294 378 HD1 PHE 47 HD1 PHE 47 2.103 3.972 21.616 379 HD2 PHE 47 HD2 PHE 47 0.806 0.307 23.437 380 HE1 PHE 47 HE1 PHE 47 3.011 4.744 23.809 381 HE2 PHE 47 HE2 PHE 47 1.710 1.070 25.633 382 HZ PHE 47 HZ PHE 47 2.809 3.292 25.812 383 H ALA 48 HN ALA 48 -1.849 2.654 23.025 384 HA ALA 48 HA ALA 48 -2.162 4.539 24.388 385 1HB ALA 48 HB1 ALA 48 0.439 5.550 23.249 386 2HB ALA 48 HB2 ALA 48 0.381 4.261 24.453 387 3HB ALA 48 HB3 ALA 48 -0.242 5.863 24.845 388 H GLY 49 HN GLY 49 -2.524 4.586 21.230 389 1HA GLY 49 HA2 GLY 49 -3.818 6.119 19.956 390 2HA GLY 49 HA1 GLY 49 -3.600 7.316 21.234 391 H LYS 50 HN LYS 50 -0.711 5.722 20.142 392 HA LYS 50 HA LYS 50 0.074 8.275 18.852 393 1HB LYS 50 HB2 LYS 50 1.941 5.995 19.457 394 2HB LYS 50 HB1 LYS 50 2.306 7.717 19.340 395 1HG LYS 50 HG2 LYS 50 0.536 6.507 21.477 396 2HG LYS 50 HG1 LYS 50 2.249 6.860 21.702 397 1HD LYS 50 HD2 LYS 50 0.977 9.173 20.580 398 2HD LYS 50 HD1 LYS 50 0.049 8.645 21.985 399 1HE LYS 50 HE2 LYS 50 3.012 8.659 22.264 400 2HE LYS 50 HE1 LYS 50 2.211 10.228 22.210 401 1HZ LYS 50 HZ1 LYS 50 2.238 8.273 24.293 402 2HZ LYS 50 HZ2 LYS 50 0.654 8.724 23.874 403 3HZ LYS 50 HZ3 LYS 50 1.777 9.905 24.351 404 H GLU 51 HN GLU 51 0.001 8.341 16.678 405 HA GLU 51 HA GLU 51 -0.446 5.959 15.093 406 1HB GLU 51 HB2 GLU 51 -1.212 8.395 14.626 407 2HB GLU 51 HB1 GLU 51 0.406 8.620 13.962 408 1HG GLU 51 HG2 GLU 51 -0.074 7.418 12.105 409 2HG GLU 51 HG1 GLU 51 -0.877 6.153 13.037 410 H LEU 52 HN LEU 52 1.248 4.535 14.964 411 HA LEU 52 HA LEU 52 3.973 5.617 14.465 412 1HB LEU 52 HB2 LEU 52 3.549 2.691 14.726 413 2HB LEU 52 HB1 LEU 52 4.811 3.708 15.421 414 HG LEU 52 HG LEU 52 1.941 3.531 16.360 415 1HD1 LEU 52 HD11 LEU 52 3.368 2.838 18.495 416 2HD1 LEU 52 HD12 LEU 52 4.540 2.360 17.265 417 3HD1 LEU 52 HD13 LEU 52 2.928 1.644 17.273 418 1HD2 LEU 52 HD21 LEU 52 4.208 5.393 16.921 419 2HD2 LEU 52 HD22 LEU 52 3.204 4.904 18.291 420 3HD2 LEU 52 HD23 LEU 52 2.475 5.716 16.904 421 HA PRO 53 HA PRO 53 3.675 4.384 10.264 422 1HB PRO 53 HB2 PRO 53 6.370 4.348 9.716 423 2HB PRO 53 HB1 PRO 53 5.402 5.829 9.814 424 1HG PRO 53 HG2 PRO 53 7.382 4.759 11.745 425 2HG PRO 53 HG1 PRO 53 6.828 6.419 11.524 426 1HD PRO 53 HD2 PRO 53 6.007 4.633 13.586 427 2HD PRO 53 HD1 PRO 53 5.269 6.203 13.195 428 H ASN 54 HN ASN 54 3.484 2.421 9.358 429 HA ASN 54 HA ASN 54 3.791 0.020 10.716 430 1HB ASN 54 HB2 ASN 54 4.075 0.273 7.713 431 2HB ASN 54 HB1 ASN 54 3.380 -1.062 8.627 432 1HD2 ASN 54 HD21 ASN 54 2.618 1.857 7.010 433 2HD2 ASN 54 HD22 ASN 54 1.037 2.049 7.599 434 H HIS 55 HN HIS 55 6.379 1.792 9.133 435 HA HIS 55 HA HIS 55 8.020 -0.663 8.978 436 1HB HIS 55 HB2 HIS 55 9.787 1.001 8.124 437 2HB HIS 55 HB1 HIS 55 8.363 0.745 7.113 438 HD1 HIS 55 HD1 HIS 55 6.862 2.737 6.677 439 HD2 HIS 55 HD2 HIS 55 9.694 3.507 9.637 440 HE1 HIS 55 HE1 HIS 55 6.713 5.213 7.183 441 H LEU 56 HN LEU 56 7.179 0.706 11.613 442 HA LEU 56 HA LEU 56 9.940 1.123 12.667 443 1HB LEU 56 HB2 LEU 56 7.232 2.050 13.597 444 2HB LEU 56 HB1 LEU 56 8.566 1.928 14.746 445 HG LEU 56 HG LEU 56 8.536 3.547 12.189 446 1HD1 LEU 56 HD11 LEU 56 9.216 5.044 14.518 447 2HD1 LEU 56 HD12 LEU 56 7.765 4.117 14.891 448 3HD1 LEU 56 HD13 LEU 56 7.784 5.212 13.514 449 1HD2 LEU 56 HD21 LEU 56 10.769 4.177 13.813 450 2HD2 LEU 56 HD22 LEU 56 10.778 3.427 12.218 451 3HD2 LEU 56 HD23 LEU 56 10.733 2.421 13.665 452 H THR 57 HN THR 57 10.289 0.145 14.897 453 HA THR 57 HA THR 57 9.278 -2.624 14.814 454 HB THR 57 HB THR 57 10.987 -2.579 16.924 455 HG1 THR 57 HG1 THR 57 12.728 -1.199 15.905 456 1HG2 THR 57 HG21 THR 57 12.066 -3.981 15.530 457 2HG2 THR 57 HG22 THR 57 12.466 -2.662 14.429 458 3HG2 THR 57 HG23 THR 57 10.917 -3.501 14.278 459 H VAL 58 HN VAL 58 8.866 -3.637 17.037 460 HA VAL 58 HA VAL 58 6.545 -2.482 18.172 461 HB VAL 58 HB VAL 58 8.407 -4.713 18.949 462 1HG1 VAL 58 HG11 VAL 58 7.797 -3.689 21.092 463 2HG1 VAL 58 HG12 VAL 58 6.896 -5.191 20.880 464 3HG1 VAL 58 HG13 VAL 58 6.100 -3.640 20.614 465 1HG2 VAL 58 HG21 VAL 58 5.697 -5.477 18.915 466 2HG2 VAL 58 HG22 VAL 58 6.890 -5.762 17.643 467 3HG2 VAL 58 HG23 VAL 58 5.861 -4.324 17.584 468 H GLN 59 HN GLN 59 9.925 -2.367 19.271 469 HA GLN 59 HA GLN 59 9.158 -0.758 21.636 470 1HB GLN 59 HB2 GLN 59 11.545 -2.180 20.653 471 2HB GLN 59 HB1 GLN 59 11.864 -0.708 21.566 472 1HG GLN 59 HG2 GLN 59 10.154 -1.649 23.277 473 2HG GLN 59 HG1 GLN 59 10.411 -3.190 22.467 474 1HE2 GLN 59 HE21 GLN 59 13.256 -2.759 21.864 475 2HE2 GLN 59 HE22 GLN 59 14.089 -2.815 23.342 476 H ASN 60 HN ASN 60 8.952 0.137 18.749 477 HA ASN 60 HA ASN 60 10.923 2.312 18.556 478 1HB ASN 60 HB2 ASN 60 9.609 0.939 16.634 479 2HB ASN 60 HB1 ASN 60 8.540 2.337 16.781 480 1HD2 ASN 60 HD21 ASN 60 9.604 4.523 16.561 481 2HD2 ASN 60 HD22 ASN 60 10.999 4.662 15.603 482 H CYS 61 HN CYS 61 7.338 2.285 18.547 483 HA CYS 61 HA CYS 61 7.220 5.058 19.423 484 1HB CYS 61 HB2 CYS 61 5.257 4.480 18.310 485 2HB CYS 61 HB1 CYS 61 5.238 2.848 18.982 486 HG CYS 61 HG CYS 61 3.851 5.233 20.202 487 H ASP 62 HN ASP 62 7.714 2.019 20.852 488 HA ASP 62 HA ASP 62 8.583 1.821 23.094 489 1HB ASP 62 HB2 ASP 62 8.016 4.332 23.452 490 2HB ASP 62 HB1 ASP 62 6.472 3.736 24.065 491 H LEU 63 HN LEU 63 6.477 0.460 21.496 492 HA LEU 63 HA LEU 63 4.200 -0.118 23.177 493 1HB LEU 63 HB2 LEU 63 5.646 -1.902 21.210 494 2HB LEU 63 HB1 LEU 63 4.098 -2.287 21.962 495 HG LEU 63 HG LEU 63 4.105 0.398 20.855 496 1HD1 LEU 63 HD11 LEU 63 5.462 -1.623 19.385 497 2HD1 LEU 63 HD12 LEU 63 5.106 0.032 18.896 498 3HD1 LEU 63 HD13 LEU 63 3.951 -1.256 18.553 499 1HD2 LEU 63 HD21 LEU 63 2.021 -0.411 19.864 500 2HD2 LEU 63 HD22 LEU 63 2.128 -0.967 21.535 501 3HD2 LEU 63 HD23 LEU 63 2.473 -2.081 20.210 502 H GLU 64 HN GLU 64 7.031 -2.166 22.574 503 HA GLU 64 HA GLU 64 8.323 -3.499 24.004 504 1HB GLU 64 HB2 GLU 64 7.831 -1.057 25.335 505 2HB GLU 64 HB1 GLU 64 7.613 -2.331 26.536 506 1HG GLU 64 HG2 GLU 64 9.860 -3.207 25.253 507 2HG GLU 64 HG1 GLU 64 10.068 -1.458 25.142 508 H GLN 65 HN GLN 65 8.210 -5.010 25.840 509 HA GLN 65 HA GLN 65 6.091 -6.792 25.800 510 1HB GLN 65 HB2 GLN 65 6.873 -7.246 28.278 511 2HB GLN 65 HB1 GLN 65 7.977 -7.568 26.933 512 1HG GLN 65 HG2 GLN 65 8.118 -4.790 27.776 513 2HG GLN 65 HG1 GLN 65 8.457 -5.882 29.117 514 1HE2 GLN 65 HE21 GLN 65 9.132 -6.628 25.694 515 2HE2 GLN 65 HE22 GLN 65 10.819 -6.678 25.867 516 H GLN 66 HN GLN 66 3.963 -6.617 26.411 517 HA GLN 66 HA GLN 66 2.090 -5.959 27.678 518 1HB GLN 66 HB2 GLN 66 3.940 -5.942 29.586 519 2HB GLN 66 HB1 GLN 66 3.829 -4.191 29.395 520 1HG GLN 66 HG2 GLN 66 1.385 -4.314 29.765 521 2HG GLN 66 HG1 GLN 66 1.515 -6.060 29.988 522 1HE2 GLN 66 HE21 GLN 66 3.110 -3.080 31.281 523 2HE2 GLN 66 HE22 GLN 66 3.168 -3.635 32.884 524 H SER 67 HN SER 67 1.023 -4.608 26.283 525 HA SER 67 HA SER 67 1.475 -1.719 26.375 526 1HB SER 67 HB2 SER 67 2.896 -3.289 24.446 527 2HB SER 67 HB1 SER 67 1.664 -2.356 23.602 528 HG SER 67 HG SER 67 2.588 -0.641 25.215 529 H ILE 68 HN ILE 68 -0.613 -0.990 26.298 530 HA ILE 68 HA ILE 68 -2.627 -2.727 25.087 531 HB ILE 68 HB ILE 68 -2.544 -0.412 26.921 532 1HG1 ILE 68 HG12 ILE 68 -4.237 -1.648 28.059 533 2HG1 ILE 68 HG11 ILE 68 -4.593 -2.598 26.623 534 1HG2 ILE 68 HG21 ILE 68 -3.795 0.532 25.031 535 2HG2 ILE 68 HG22 ILE 68 -4.860 0.236 26.407 536 3HG2 ILE 68 HG23 ILE 68 -4.859 -0.878 25.038 537 1HD1 ILE 68 HD11 ILE 68 -1.964 -3.197 26.891 538 2HD1 ILE 68 HD12 ILE 68 -3.245 -4.120 27.680 539 3HD1 ILE 68 HD13 ILE 68 -2.374 -2.880 28.577 540 H VAL 69 HN VAL 69 -3.118 -2.534 23.007 541 HA VAL 69 HA VAL 69 -2.501 0.011 21.595 542 HB VAL 69 HB VAL 69 -2.964 -2.074 19.735 543 1HG1 VAL 69 HG11 VAL 69 -0.332 -1.801 19.596 544 2HG1 VAL 69 HG12 VAL 69 -0.630 -0.466 20.710 545 3HG1 VAL 69 HG13 VAL 69 -1.390 -0.472 19.120 546 1HG2 VAL 69 HG21 VAL 69 -1.192 -3.694 20.475 547 2HG2 VAL 69 HG22 VAL 69 -2.649 -3.723 21.468 548 3HG2 VAL 69 HG23 VAL 69 -1.199 -2.903 22.052 549 H HIS 70 HN HIS 70 -4.109 0.431 19.740 550 HA HIS 70 HA HIS 70 -6.814 -0.596 20.481 551 1HB HIS 70 HB2 HIS 70 -5.901 2.171 19.667 552 2HB HIS 70 HB1 HIS 70 -7.581 1.670 19.471 553 HD1 HIS 70 HD1 HIS 70 -6.343 3.809 21.608 554 HD2 HIS 70 HD2 HIS 70 -7.687 -0.058 22.396 555 HE1 HIS 70 HE1 HIS 70 -6.939 3.745 24.069 556 H ILE 71 HN ILE 71 -7.333 -2.036 18.879 557 HA ILE 71 HA ILE 71 -6.435 -1.578 16.132 558 HB ILE 71 HB ILE 71 -6.572 -3.785 15.896 559 1HG1 ILE 71 HG12 ILE 71 -8.739 -4.913 17.005 560 2HG1 ILE 71 HG11 ILE 71 -9.342 -3.303 16.698 561 1HG2 ILE 71 HG21 ILE 71 -5.638 -3.753 18.121 562 2HG2 ILE 71 HG22 ILE 71 -6.702 -5.142 17.922 563 3HG2 ILE 71 HG23 ILE 71 -7.250 -3.743 18.816 564 1HD1 ILE 71 HD11 ILE 71 -9.727 -4.586 14.699 565 2HD1 ILE 71 HD12 ILE 71 -8.067 -5.200 14.729 566 3HD1 ILE 71 HD13 ILE 71 -8.374 -3.494 14.369 567 H VAL 72 HN VAL 72 -7.790 -1.054 14.424 568 HA VAL 72 HA VAL 72 -10.685 -0.784 15.000 569 HB VAL 72 HB VAL 72 -9.219 1.528 13.739 570 1HG1 VAL 72 HG11 VAL 72 -11.886 0.931 14.076 571 2HG1 VAL 72 HG12 VAL 72 -11.239 2.557 13.864 572 3HG1 VAL 72 HG13 VAL 72 -11.554 1.939 15.485 573 1HG2 VAL 72 HG21 VAL 72 -9.487 2.505 16.164 574 2HG2 VAL 72 HG22 VAL 72 -8.087 1.501 15.788 575 3HG2 VAL 72 HG23 VAL 72 -9.460 0.810 16.650 576 H GLN 73 HN GLN 73 -11.917 -1.194 13.186 577 HA GLN 73 HA GLN 73 -10.426 -1.528 10.613 578 1HB GLN 73 HB2 GLN 73 -11.116 -3.704 11.412 579 2HB GLN 73 HB1 GLN 73 -12.750 -3.116 11.735 580 1HG GLN 73 HG2 GLN 73 -12.142 -2.478 9.033 581 2HG GLN 73 HG1 GLN 73 -11.692 -4.166 9.286 582 1HE2 GLN 73 HE21 GLN 73 -13.542 -4.946 8.044 583 2HE2 GLN 73 HE22 GLN 73 -15.123 -4.836 8.649 584 H ARG 74 HN ARG 74 -11.131 -0.173 9.018 585 HA ARG 74 HA ARG 74 -13.458 1.512 9.429 586 1HB ARG 74 HB2 ARG 74 -12.054 1.097 6.786 587 2HB ARG 74 HB1 ARG 74 -12.884 2.540 7.367 588 1HG ARG 74 HG2 ARG 74 -10.985 2.164 9.318 589 2HG ARG 74 HG1 ARG 74 -10.127 1.636 7.870 590 1HD ARG 74 HD2 ARG 74 -11.090 3.819 6.805 591 2HD ARG 74 HD1 ARG 74 -11.327 4.329 8.475 592 HE ARG 74 HE ARG 74 -8.775 3.741 8.677 593 1HH1 ARG 74 HH11 ARG 74 -9.550 6.494 7.644 594 2HH1 ARG 74 HH12 ARG 74 -8.543 6.625 6.241 595 1HH2 ARG 74 HH21 ARG 74 -7.837 3.234 6.102 596 2HH2 ARG 74 HH22 ARG 74 -7.573 4.782 5.368 597 HA PRO 75 HA PRO 75 -16.341 -1.364 7.697 598 1HB PRO 75 HB2 PRO 75 -18.492 0.336 7.631 599 2HB PRO 75 HB1 PRO 75 -17.918 -0.490 9.104 600 1HG PRO 75 HG2 PRO 75 -17.620 2.353 8.317 601 2HG PRO 75 HG1 PRO 75 -17.610 1.628 9.928 602 1HD PRO 75 HD2 PRO 75 -15.332 2.490 8.473 603 2HD PRO 75 HD1 PRO 75 -15.324 1.504 9.951 604 H ARG 76 HN ARG 76 -16.983 -1.852 5.594 605 HA ARG 76 HA ARG 76 -16.210 -0.126 3.426 606 1HB ARG 76 HB2 ARG 76 -18.125 -2.485 3.563 607 2HB ARG 76 HB1 ARG 76 -17.708 -1.665 2.059 608 1HG ARG 76 HG2 ARG 76 -15.296 -2.148 2.520 609 2HG ARG 76 HG1 ARG 76 -15.792 -3.085 3.931 610 1HD ARG 76 HD2 ARG 76 -16.377 -4.857 2.657 611 2HD ARG 76 HD1 ARG 76 -17.289 -3.839 1.545 612 HE ARG 76 HE ARG 76 -14.431 -4.567 1.268 613 1HH1 ARG 76 HH21 ARG 76 -14.947 -1.690 0.510 614 2HH1 ARG 76 HH22 ARG 76 -15.310 -1.833 -1.178 615 1HH2 ARG 76 HH11 ARG 76 -15.889 -5.251 -1.031 616 2HH2 ARG 76 HH12 ARG 76 -15.849 -3.852 -2.051 617 H ARG 77 HN ARG 77 -17.994 0.831 1.898 618 HA ARG 77 HA ARG 77 -19.581 2.638 3.388 619 1HB ARG 77 HB2 ARG 77 -19.103 2.114 0.654 620 2HB ARG 77 HB1 ARG 77 -20.854 2.022 0.861 621 1HG ARG 77 HG2 ARG 77 -19.172 4.301 1.935 622 2HG ARG 77 HG1 ARG 77 -19.971 4.344 0.363 623 1HD ARG 77 HD2 ARG 77 -21.443 3.784 2.948 624 2HD ARG 77 HD1 ARG 77 -21.287 5.401 2.259 625 HE ARG 77 HE ARG 77 -22.692 4.708 0.417 626 1HH1 ARG 77 HH11 ARG 77 -23.214 3.046 3.239 627 2HH1 ARG 77 HH12 ARG 77 -24.004 1.683 2.520 628 1HH2 ARG 77 HH21 ARG 77 -23.231 2.620 -0.730 629 2HH2 ARG 77 HH22 ARG 77 -24.007 1.437 0.269 630 H ARG 78 HN ARG 78 -20.733 1.486 5.028 631 HA ARG 78 HA ARG 78 -23.095 -0.013 3.968 632 1HB ARG 78 HB2 ARG 78 -21.017 -0.904 5.896 633 2HB ARG 78 HB1 ARG 78 -22.686 -1.290 6.314 634 1HG ARG 78 HG2 ARG 78 -22.992 -2.626 4.426 635 2HG ARG 78 HG1 ARG 78 -21.705 -1.822 3.525 636 1HD ARG 78 HD2 ARG 78 -20.797 -3.935 4.133 637 2HD ARG 78 HD1 ARG 78 -20.097 -2.791 5.279 638 HE ARG 78 HE ARG 78 -22.576 -4.161 6.128 639 1HH1 ARG 78 HH11 ARG 78 -19.914 -5.803 5.774 640 2HH1 ARG 78 HH12 ARG 78 -19.394 -5.849 7.426 641 1HH2 ARG 78 HH21 ARG 78 -21.575 -3.363 8.461 642 2HH2 ARG 78 HH22 ARG 78 -20.330 -4.465 8.945 Start of MODEL 7 1 1H MET 1 HT1 MET 1 12.372 -13.688 26.177 2 2H MET 1 HT2 MET 1 11.673 -12.160 25.931 3 3H MET 1 HT3 MET 1 12.867 -12.732 24.867 4 HA MET 1 HA MET 1 11.434 -13.933 23.670 5 1HB MET 1 HB2 MET 1 9.574 -15.220 24.767 6 2HB MET 1 HB1 MET 1 11.171 -15.612 25.406 7 1HG MET 1 HG2 MET 1 10.247 -13.419 26.927 8 2HG MET 1 HG1 MET 1 8.883 -14.529 26.798 9 1HE MET 1 HE1 MET 1 9.129 -14.460 29.380 10 2HE MET 1 HE2 MET 1 10.709 -13.687 29.484 11 3HE MET 1 HE3 MET 1 10.429 -15.217 30.310 12 H GLY 2 HN GLY 2 9.871 -13.004 22.405 13 1HA GLY 2 HA2 GLY 2 8.751 -10.487 22.958 14 2HA GLY 2 HA1 GLY 2 8.069 -11.624 21.791 15 H MET 3 HN MET 3 7.783 -10.320 24.990 16 HA MET 3 HA MET 3 5.906 -12.264 25.989 17 1HB MET 3 HB2 MET 3 6.567 -11.121 27.822 18 2HB MET 3 HB1 MET 3 7.017 -9.701 26.890 19 1HG MET 3 HG2 MET 3 4.551 -9.142 26.722 20 2HG MET 3 HG1 MET 3 4.246 -10.462 27.852 21 1HE MET 3 HE1 MET 3 5.173 -9.389 31.181 22 2HE MET 3 HE2 MET 3 5.027 -10.722 30.040 23 3HE MET 3 HE3 MET 3 3.668 -9.629 30.284 24 H ILE 4 HN ILE 4 3.600 -11.569 26.525 25 HA ILE 4 HA ILE 4 2.242 -10.997 24.044 26 HB ILE 4 HB ILE 4 1.575 -11.929 26.701 27 1HG1 ILE 4 HG12 ILE 4 -0.508 -12.607 25.136 28 2HG1 ILE 4 HG11 ILE 4 0.655 -12.200 23.876 29 1HG2 ILE 4 HG21 ILE 4 -0.270 -9.929 25.367 30 2HG2 ILE 4 HG22 ILE 4 0.524 -9.721 26.930 31 3HG2 ILE 4 HG23 ILE 4 -0.722 -10.957 26.727 32 1HD1 ILE 4 HD11 ILE 4 0.508 -14.643 25.091 33 2HD1 ILE 4 HD12 ILE 4 1.742 -13.849 26.070 34 3HD1 ILE 4 HD13 ILE 4 1.964 -14.005 24.327 35 H VAL 5 HN VAL 5 1.049 -9.251 23.443 36 HA VAL 5 HA VAL 5 1.365 -6.746 25.022 37 HB VAL 5 HB VAL 5 0.464 -6.765 22.175 38 1HG1 VAL 5 HG11 VAL 5 0.500 -4.636 23.248 39 2HG1 VAL 5 HG12 VAL 5 1.933 -4.676 22.220 40 3HG1 VAL 5 HG13 VAL 5 2.086 -4.942 23.956 41 1HG2 VAL 5 HG21 VAL 5 2.878 -6.678 21.464 42 2HG2 VAL 5 HG22 VAL 5 2.380 -8.255 22.076 43 3HG2 VAL 5 HG23 VAL 5 3.324 -7.172 23.098 44 H PHE 6 HN PHE 6 -0.730 -5.324 24.717 45 HA PHE 6 HA PHE 6 -3.021 -7.208 24.950 46 1HB PHE 6 HB2 PHE 6 -2.428 -5.600 26.835 47 2HB PHE 6 HB1 PHE 6 -2.977 -4.306 25.768 48 HD1 PHE 6 HD1 PHE 6 -4.268 -7.795 26.197 49 HD2 PHE 6 HD2 PHE 6 -5.054 -3.579 26.602 50 HE1 PHE 6 HE1 PHE 6 -6.627 -8.286 26.791 51 HE2 PHE 6 HE2 PHE 6 -7.411 -4.081 27.201 52 HZ PHE 6 HZ PHE 6 -8.197 -6.431 27.294 53 H VAL 7 HN VAL 7 -3.873 -7.427 22.892 54 HA VAL 7 HA VAL 7 -4.155 -5.020 21.194 55 HB VAL 7 HB VAL 7 -4.710 -7.959 20.746 56 1HG1 VAL 7 HG11 VAL 7 -5.607 -7.484 18.595 57 2HG1 VAL 7 HG12 VAL 7 -5.067 -5.808 18.647 58 3HG1 VAL 7 HG13 VAL 7 -6.417 -6.332 19.653 59 1HG2 VAL 7 HG21 VAL 7 -2.356 -6.781 20.634 60 2HG2 VAL 7 HG22 VAL 7 -2.952 -6.170 19.088 61 3HG2 VAL 7 HG23 VAL 7 -2.827 -7.908 19.360 62 H ARG 8 HN ARG 8 -5.931 -3.767 21.619 63 HA ARG 8 HA ARG 8 -8.322 -5.065 22.747 64 1HB ARG 8 HB2 ARG 8 -7.528 -2.231 22.132 65 2HB ARG 8 HB1 ARG 8 -9.237 -2.619 22.336 66 1HG ARG 8 HG2 ARG 8 -8.742 -2.219 24.543 67 2HG ARG 8 HG1 ARG 8 -8.247 -3.910 24.483 68 1HD ARG 8 HD2 ARG 8 -6.395 -2.797 25.465 69 2HD ARG 8 HD1 ARG 8 -5.932 -3.022 23.778 70 HE ARG 8 HE ARG 8 -5.779 -0.683 23.692 71 1HH1 ARG 8 HH11 ARG 8 -6.519 -0.726 26.737 72 2HH1 ARG 8 HH12 ARG 8 -7.785 0.456 26.742 73 1HH2 ARG 8 HH21 ARG 8 -8.158 0.459 23.295 74 2HH2 ARG 8 HH22 ARG 8 -8.709 1.131 24.794 75 H PHE 9 HN PHE 9 -9.077 -6.419 21.143 76 HA PHE 9 HA PHE 9 -9.221 -5.731 18.357 77 1HB PHE 9 HB2 PHE 9 -9.965 -7.934 20.106 78 2HB PHE 9 HB1 PHE 9 -11.151 -7.679 18.832 79 HD1 PHE 9 HD1 PHE 9 -8.894 -6.635 16.717 80 HD2 PHE 9 HD2 PHE 9 -9.314 -10.031 19.370 81 HE1 PHE 9 HE1 PHE 9 -7.491 -8.020 15.246 82 HE2 PHE 9 HE2 PHE 9 -7.876 -11.359 17.879 83 HZ PHE 9 HZ PHE 9 -6.970 -10.362 15.815 84 H ASN 10 HN ASN 10 -10.799 -4.602 17.279 85 HA ASN 10 HA ASN 10 -12.764 -3.368 16.933 86 1HB ASN 10 HB2 ASN 10 -13.629 -5.669 18.646 87 2HB ASN 10 HB1 ASN 10 -14.774 -4.364 18.334 88 1HD2 ASN 10 HD21 ASN 10 -15.350 -6.890 17.258 89 2HD2 ASN 10 HD22 ASN 10 -15.131 -6.861 15.575 90 H SER 11 HN SER 11 -13.831 -4.128 20.182 91 HA SER 11 HA SER 11 -12.839 -1.519 21.184 92 1HB SER 11 HB2 SER 11 -15.716 -2.272 20.763 93 2HB SER 11 HB1 SER 11 -15.279 -1.194 22.085 94 HG SER 11 HG SER 11 -15.725 -0.027 20.187 95 H SER 12 HN SER 12 -15.471 -3.498 22.479 96 HA SER 12 HA SER 12 -14.211 -3.670 25.062 97 1HB SER 12 HB2 SER 12 -16.313 -5.642 24.325 98 2HB SER 12 HB1 SER 12 -16.179 -4.633 25.762 99 HG SER 12 HG SER 12 -17.850 -4.104 24.096 100 H TYR 13 HN TYR 13 -13.647 -5.339 22.209 101 HA TYR 13 HA TYR 13 -13.019 -7.939 23.356 102 1HB TYR 13 HB2 TYR 13 -13.233 -6.820 20.746 103 2HB TYR 13 HB1 TYR 13 -11.605 -7.476 20.909 104 HD1 TYR 13 HD1 TYR 13 -14.989 -8.250 20.217 105 HD2 TYR 13 HD2 TYR 13 -11.439 -9.863 22.016 106 HE1 TYR 13 HE1 TYR 13 -15.895 -10.540 19.948 107 HE2 TYR 13 HE2 TYR 13 -12.344 -12.157 21.746 108 HH TYR 13 HH TYR 13 -13.962 -13.393 20.806 109 H GLY 14 HN GLY 14 -10.826 -8.808 23.459 110 1HA GLY 14 HA2 GLY 14 -8.546 -6.994 23.318 111 2HA GLY 14 HA1 GLY 14 -8.992 -7.415 24.974 112 H PHE 15 HN PHE 15 -7.631 -8.620 21.988 113 HA PHE 15 HA PHE 15 -7.292 -11.296 23.243 114 1HB PHE 15 HB2 PHE 15 -7.456 -12.167 21.165 115 2HB PHE 15 HB1 PHE 15 -8.057 -10.582 20.688 116 HD1 PHE 15 HD1 PHE 15 -4.986 -12.668 20.967 117 HD2 PHE 15 HD2 PHE 15 -6.788 -9.142 19.262 118 HE1 PHE 15 HE1 PHE 15 -3.018 -12.381 19.495 119 HE2 PHE 15 HE2 PHE 15 -4.812 -8.880 17.786 120 HZ PHE 15 HZ PHE 15 -2.932 -10.486 17.897 121 HA PRO 16 HA PRO 16 -3.089 -10.252 24.030 122 1HB PRO 16 HB2 PRO 16 -2.245 -12.802 24.643 123 2HB PRO 16 HB1 PRO 16 -3.172 -11.779 25.753 124 1HG PRO 16 HG2 PRO 16 -4.079 -14.134 24.164 125 2HG PRO 16 HG1 PRO 16 -4.718 -13.495 25.688 126 1HD PRO 16 HD2 PRO 16 -5.861 -13.117 23.132 127 2HD PRO 16 HD1 PRO 16 -6.274 -12.208 24.602 128 H VAL 17 HN VAL 17 -1.465 -9.969 22.573 129 HA VAL 17 HA VAL 17 -1.184 -11.931 20.330 130 HB VAL 17 HB VAL 17 -1.816 -9.595 19.702 131 1HG1 VAL 17 HG11 VAL 17 -0.721 -8.454 21.582 132 2HG1 VAL 17 HG12 VAL 17 -0.113 -7.817 20.053 133 3HG1 VAL 17 HG13 VAL 17 0.861 -8.957 20.986 134 1HG2 VAL 17 HG21 VAL 17 0.891 -9.549 18.662 135 2HG2 VAL 17 HG22 VAL 17 -0.614 -9.915 17.816 136 3HG2 VAL 17 HG23 VAL 17 0.258 -11.194 18.657 137 H GLU 18 HN GLU 18 1.030 -12.495 19.712 138 HA GLU 18 HA GLU 18 2.967 -12.047 21.944 139 1HB GLU 18 HB2 GLU 18 2.148 -14.431 20.858 140 2HB GLU 18 HB1 GLU 18 3.605 -14.102 19.919 141 1HG GLU 18 HG2 GLU 18 4.952 -13.945 21.891 142 2HG GLU 18 HG1 GLU 18 3.532 -13.919 22.938 143 H VAL 19 HN VAL 19 4.480 -10.485 21.435 144 HA VAL 19 HA VAL 19 5.680 -10.572 18.723 145 HB VAL 19 HB VAL 19 4.913 -8.565 17.955 146 1HG1 VAL 19 HG11 VAL 19 2.832 -9.696 18.672 147 2HG1 VAL 19 HG12 VAL 19 2.687 -7.948 18.846 148 3HG1 VAL 19 HG13 VAL 19 2.971 -8.954 20.265 149 1HG2 VAL 19 HG21 VAL 19 5.166 -7.651 20.836 150 2HG2 VAL 19 HG22 VAL 19 4.586 -6.605 19.540 151 3HG2 VAL 19 HG23 VAL 19 6.228 -7.254 19.484 152 H ASP 20 HN ASP 20 7.622 -9.292 18.574 153 HA ASP 20 HA ASP 20 8.912 -8.886 21.232 154 1HB ASP 20 HB2 ASP 20 9.751 -10.414 19.058 155 2HB ASP 20 HB1 ASP 20 10.689 -8.928 18.906 156 H SER 21 HN SER 21 10.791 -7.156 20.910 157 HA SER 21 HA SER 21 9.531 -4.648 20.350 158 1HB SER 21 HB2 SER 21 12.503 -4.922 20.257 159 2HB SER 21 HB1 SER 21 11.521 -3.697 21.053 160 HG SER 21 HG SER 21 12.561 -5.311 22.446 161 H ASP 22 HN ASP 22 10.700 -6.970 18.210 162 HA ASP 22 HA ASP 22 11.549 -4.992 16.185 163 1HB ASP 22 HB2 ASP 22 11.443 -7.841 15.430 164 2HB ASP 22 HB1 ASP 22 12.748 -6.671 15.236 165 H THR 23 HN THR 23 8.657 -6.720 17.023 166 HA THR 23 HA THR 23 7.564 -7.287 14.515 167 HB THR 23 HB THR 23 5.518 -6.021 16.109 168 HG1 THR 23 HG1 THR 23 7.141 -7.895 17.460 169 1HG2 THR 23 HG21 THR 23 4.521 -8.141 15.949 170 2HG2 THR 23 HG22 THR 23 6.077 -8.967 15.888 171 3HG2 THR 23 HG23 THR 23 5.513 -8.047 14.493 172 H SER 24 HN SER 24 7.062 -6.088 12.752 173 HA SER 24 HA SER 24 7.804 -3.299 12.669 174 1HB SER 24 HB2 SER 24 6.271 -4.897 10.622 175 2HB SER 24 HB1 SER 24 7.150 -3.396 10.328 176 HG SER 24 HG SER 24 8.903 -4.541 10.153 177 H ILE 25 HN ILE 25 5.168 -4.478 14.009 178 HA ILE 25 HA ILE 25 3.192 -3.526 14.752 179 HB ILE 25 HB ILE 25 4.382 -1.217 13.285 180 1HG1 ILE 25 HG12 ILE 25 5.017 -2.227 15.669 181 2HG1 ILE 25 HG11 ILE 25 5.061 -0.495 15.344 182 1HG2 ILE 25 HG21 ILE 25 2.007 -0.920 13.003 183 2HG2 ILE 25 HG22 ILE 25 2.500 0.127 14.333 184 3HG2 ILE 25 HG23 ILE 25 1.693 -1.408 14.671 185 1HD1 ILE 25 HD11 ILE 25 3.213 -0.062 16.615 186 2HD1 ILE 25 HD12 ILE 25 3.710 -1.561 17.421 187 3HD1 ILE 25 HD13 ILE 25 2.438 -1.598 16.200 188 H LEU 26 HN LEU 26 3.831 -3.266 11.194 189 HA LEU 26 HA LEU 26 0.933 -3.211 10.724 190 1HB LEU 26 HB2 LEU 26 2.127 -2.192 8.933 191 2HB LEU 26 HB1 LEU 26 3.338 -3.475 8.910 192 HG LEU 26 HG LEU 26 1.497 -3.488 7.087 193 1HD1 LEU 26 HD11 LEU 26 2.895 -5.515 8.540 194 2HD1 LEU 26 HD12 LEU 26 2.431 -5.515 6.831 195 3HD1 LEU 26 HD13 LEU 26 1.323 -6.155 8.047 196 1HD2 LEU 26 HD21 LEU 26 -0.223 -5.167 8.759 197 2HD2 LEU 26 HD22 LEU 26 -0.663 -3.842 7.687 198 3HD2 LEU 26 HD23 LEU 26 -0.169 -3.501 9.339 199 H GLN 27 HN GLN 27 3.707 -5.242 10.901 200 HA GLN 27 HA GLN 27 2.579 -7.756 10.162 201 1HB GLN 27 HB2 GLN 27 4.961 -6.633 11.409 202 2HB GLN 27 HB1 GLN 27 4.469 -8.129 12.224 203 1HG GLN 27 HG2 GLN 27 4.457 -8.132 9.238 204 2HG GLN 27 HG1 GLN 27 6.028 -8.163 10.041 205 1HE2 GLN 27 HE21 GLN 27 5.863 -9.811 12.124 206 2HE2 GLN 27 HE22 GLN 27 5.238 -11.335 11.716 207 H LEU 28 HN LEU 28 2.654 -5.723 12.989 208 HA LEU 28 HA LEU 28 1.430 -7.518 14.891 209 1HB LEU 28 HB2 LEU 28 2.626 -5.293 15.382 210 2HB LEU 28 HB1 LEU 28 1.206 -4.482 14.745 211 HG LEU 28 HG LEU 28 1.090 -4.591 17.173 212 1HD1 LEU 28 HD11 LEU 28 -0.908 -6.629 16.369 213 2HD1 LEU 28 HD12 LEU 28 -0.897 -5.115 15.462 214 3HD1 LEU 28 HD13 LEU 28 -1.136 -5.097 17.210 215 1HD2 LEU 28 HD21 LEU 28 2.243 -7.122 16.775 216 2HD2 LEU 28 HD22 LEU 28 0.628 -7.452 17.404 217 3HD2 LEU 28 HD23 LEU 28 1.738 -6.428 18.314 218 H LYS 29 HN LYS 29 0.308 -5.207 12.474 219 HA LYS 29 HA LYS 29 -2.508 -5.473 13.057 220 1HB LYS 29 HB2 LYS 29 -0.910 -4.430 10.728 221 2HB LYS 29 HB1 LYS 29 -2.649 -4.664 10.572 222 1HG LYS 29 HG2 LYS 29 -3.006 -2.714 11.600 223 2HG LYS 29 HG1 LYS 29 -2.178 -3.320 13.042 224 1HD LYS 29 HD2 LYS 29 -0.021 -2.642 11.999 225 2HD LYS 29 HD1 LYS 29 -0.903 -1.945 10.653 226 1HE LYS 29 HE2 LYS 29 -2.148 -0.560 12.456 227 2HE LYS 29 HE1 LYS 29 -0.862 -1.079 13.542 228 1HZ LYS 29 HZ1 LYS 29 0.733 -0.209 11.847 229 2HZ LYS 29 HZ2 LYS 29 -0.212 0.981 12.608 230 3HZ LYS 29 HZ3 LYS 29 -0.586 0.476 11.030 231 H GLU 30 HN GLU 30 -0.152 -7.340 11.332 232 HA GLU 30 HA GLU 30 -2.002 -8.762 9.631 233 1HB GLU 30 HB2 GLU 30 0.804 -9.465 10.551 234 2HB GLU 30 HB1 GLU 30 -0.091 -10.332 9.302 235 1HG GLU 30 HG2 GLU 30 -0.359 -8.000 8.187 236 2HG GLU 30 HG1 GLU 30 0.969 -7.516 9.241 237 H VAL 31 HN VAL 31 -0.279 -9.644 12.642 238 HA VAL 31 HA VAL 31 -1.580 -12.182 13.024 239 HB VAL 31 HB VAL 31 -0.328 -10.254 15.024 240 1HG1 VAL 31 HG11 VAL 31 -1.166 -11.667 16.580 241 2HG1 VAL 31 HG12 VAL 31 -0.100 -12.907 15.918 242 3HG1 VAL 31 HG13 VAL 31 -1.763 -12.774 15.342 243 1HG2 VAL 31 HG21 VAL 31 1.648 -11.678 14.789 244 2HG2 VAL 31 HG22 VAL 31 1.171 -11.074 13.202 245 3HG2 VAL 31 HG23 VAL 31 0.791 -12.732 13.665 246 H VAL 32 HN VAL 32 -2.199 -8.957 14.405 247 HA VAL 32 HA VAL 32 -4.566 -9.686 15.856 248 HB VAL 32 HB VAL 32 -3.831 -7.034 14.546 249 1HG1 VAL 32 HG11 VAL 32 -5.797 -7.728 16.746 250 2HG1 VAL 32 HG12 VAL 32 -6.174 -7.084 15.144 251 3HG1 VAL 32 HG13 VAL 32 -5.318 -6.085 16.315 252 1HG2 VAL 32 HG21 VAL 32 -2.798 -6.423 16.612 253 2HG2 VAL 32 HG22 VAL 32 -2.159 -8.011 16.190 254 3HG2 VAL 32 HG23 VAL 32 -3.407 -7.862 17.424 255 H ALA 33 HN ALA 33 -3.860 -8.848 12.537 256 HA ALA 33 HA ALA 33 -6.582 -8.501 11.697 257 1HB ALA 33 HB1 ALA 33 -5.391 -9.236 9.396 258 2HB ALA 33 HB2 ALA 33 -3.939 -8.925 10.336 259 3HB ALA 33 HB3 ALA 33 -5.122 -7.642 10.096 260 H LYS 34 HN LYS 34 -4.474 -11.263 12.144 261 HA LYS 34 HA LYS 34 -5.943 -13.217 10.642 262 1HB LYS 34 HB2 LYS 34 -4.458 -13.813 13.213 263 2HB LYS 34 HB1 LYS 34 -4.648 -14.850 11.796 264 1HG LYS 34 HG2 LYS 34 -3.021 -12.340 12.038 265 2HG LYS 34 HG1 LYS 34 -2.411 -13.970 11.803 266 1HD LYS 34 HD2 LYS 34 -4.215 -12.550 9.824 267 2HD LYS 34 HD1 LYS 34 -2.457 -12.598 9.689 268 1HE LYS 34 HE2 LYS 34 -4.308 -14.999 9.732 269 2HE LYS 34 HE1 LYS 34 -3.435 -14.384 8.329 270 1HZ LYS 34 HZ1 LYS 34 -2.502 -16.035 10.476 271 2HZ LYS 34 HZ2 LYS 34 -1.503 -14.687 10.218 272 3HZ LYS 34 HZ3 LYS 34 -1.822 -15.765 8.946 273 H ARG 35 HN ARG 35 -5.926 -12.473 14.106 274 HA ARG 35 HA ARG 35 -8.149 -14.229 14.688 275 1HB ARG 35 HB2 ARG 35 -6.658 -12.109 16.220 276 2HB ARG 35 HB1 ARG 35 -8.131 -12.835 16.882 277 1HG ARG 35 HG2 ARG 35 -6.767 -14.464 17.662 278 2HG ARG 35 HG1 ARG 35 -6.736 -15.041 15.994 279 1HD ARG 35 HD2 ARG 35 -4.783 -13.492 15.587 280 2HD ARG 35 HD1 ARG 35 -4.752 -13.175 17.325 281 HE ARG 35 HE ARG 35 -3.417 -15.311 16.252 282 1HH1 ARG 35 HH21 ARG 35 -4.163 -14.873 19.226 283 2HH1 ARG 35 HH22 ARG 35 -4.839 -16.421 19.606 284 1HH2 ARG 35 HH11 ARG 35 -5.182 -17.379 16.292 285 2HH2 ARG 35 HH12 ARG 35 -5.416 -17.839 17.946 286 H GLN 36 HN GLN 36 -7.988 -10.904 13.616 287 HA GLN 36 HA GLN 36 -10.666 -10.260 14.608 288 1HB GLN 36 HB2 GLN 36 -8.457 -8.804 13.560 289 2HB GLN 36 HB1 GLN 36 -9.847 -8.478 12.527 290 1HG GLN 36 HG2 GLN 36 -10.409 -8.466 15.432 291 2HG GLN 36 HG1 GLN 36 -9.368 -7.162 14.854 292 1HE2 GLN 36 HE21 GLN 36 -12.639 -8.172 15.107 293 2HE2 GLN 36 HE22 GLN 36 -13.318 -7.004 14.079 294 H GLY 37 HN GLY 37 -9.385 -11.774 11.793 295 1HA GLY 37 HA2 GLY 37 -10.675 -12.894 10.124 296 2HA GLY 37 HA1 GLY 37 -12.114 -12.060 10.717 297 H VAL 38 HN VAL 38 -9.251 -10.224 10.132 298 HA VAL 38 HA VAL 38 -10.143 -9.376 7.428 299 HB VAL 38 HB VAL 38 -9.657 -6.940 8.496 300 1HG1 VAL 38 HG11 VAL 38 -11.953 -6.555 8.244 301 2HG1 VAL 38 HG12 VAL 38 -12.388 -8.137 8.888 302 3HG1 VAL 38 HG13 VAL 38 -11.718 -8.003 7.263 303 1HG2 VAL 38 HG21 VAL 38 -11.240 -8.259 10.684 304 2HG2 VAL 38 HG22 VAL 38 -10.344 -6.739 10.724 305 3HG2 VAL 38 HG23 VAL 38 -9.478 -8.279 10.753 306 HA PRO 39 HA PRO 39 -5.896 -8.939 6.718 307 1HB PRO 39 HB2 PRO 39 -5.955 -6.857 4.914 308 2HB PRO 39 HB1 PRO 39 -6.444 -8.516 4.530 309 1HG PRO 39 HG2 PRO 39 -8.161 -6.120 5.007 310 2HG PRO 39 HG1 PRO 39 -8.493 -7.562 4.037 311 1HD PRO 39 HD2 PRO 39 -9.511 -7.046 6.604 312 2HD PRO 39 HD1 PRO 39 -9.517 -8.618 5.775 313 H ALA 40 HN ALA 40 -4.107 -7.828 7.465 314 HA ALA 40 HA ALA 40 -4.230 -6.004 9.580 315 1HB ALA 40 HB1 ALA 40 -1.958 -5.751 7.682 316 2HB ALA 40 HB2 ALA 40 -2.242 -7.336 8.419 317 3HB ALA 40 HB3 ALA 40 -1.945 -5.929 9.440 318 H ASP 41 HN ASP 41 -4.669 -5.395 6.208 319 HA ASP 41 HA ASP 41 -3.937 -2.641 6.164 320 1HB ASP 41 HB2 ASP 41 -4.494 -4.213 4.185 321 2HB ASP 41 HB1 ASP 41 -6.180 -3.816 4.515 322 H GLN 42 HN GLN 42 -7.245 -4.038 6.279 323 HA GLN 42 HA GLN 42 -8.571 -1.629 7.048 324 1HB GLN 42 HB2 GLN 42 -9.171 -4.546 7.127 325 2HB GLN 42 HB1 GLN 42 -10.102 -3.536 8.232 326 1HG GLN 42 HG2 GLN 42 -10.654 -2.037 6.276 327 2HG GLN 42 HG1 GLN 42 -9.884 -3.224 5.222 328 1HE2 GLN 42 HE21 GLN 42 -12.878 -2.317 5.982 329 2HE2 GLN 42 HE22 GLN 42 -13.681 -3.812 6.025 330 H LEU 43 HN LEU 43 -7.241 -4.297 8.881 331 HA LEU 43 HA LEU 43 -7.869 -3.349 11.518 332 1HB LEU 43 HB2 LEU 43 -6.988 -5.652 10.401 333 2HB LEU 43 HB1 LEU 43 -5.473 -5.027 11.050 334 HG LEU 43 HG LEU 43 -6.946 -4.592 13.189 335 1HD1 LEU 43 HD11 LEU 43 -8.748 -6.182 13.465 336 2HD1 LEU 43 HD12 LEU 43 -8.328 -6.992 11.953 337 3HD1 LEU 43 HD13 LEU 43 -9.024 -5.371 11.914 338 1HD2 LEU 43 HD21 LEU 43 -6.496 -7.368 13.291 339 2HD2 LEU 43 HD22 LEU 43 -5.393 -6.094 13.815 340 3HD2 LEU 43 HD23 LEU 43 -5.290 -6.726 12.168 341 H ARG 44 HN ARG 44 -6.541 -2.127 12.970 342 HA ARG 44 HA ARG 44 -3.823 -1.489 12.154 343 1HB ARG 44 HB2 ARG 44 -5.960 0.357 11.527 344 2HB ARG 44 HB1 ARG 44 -4.689 1.096 12.511 345 1HG ARG 44 HG2 ARG 44 -3.532 1.278 10.557 346 2HG ARG 44 HG1 ARG 44 -3.237 -0.460 10.760 347 1HD ARG 44 HD2 ARG 44 -4.415 -0.881 8.897 348 2HD ARG 44 HD1 ARG 44 -5.841 -0.145 9.628 349 HE ARG 44 HE ARG 44 -4.612 0.988 7.458 350 1HH1 ARG 44 HH21 ARG 44 -6.697 2.409 9.145 351 2HH1 ARG 44 HH22 ARG 44 -5.862 3.867 9.563 352 1HH2 ARG 44 HH11 ARG 44 -2.735 2.631 8.706 353 2HH2 ARG 44 HH12 ARG 44 -3.615 3.990 9.322 354 H VAL 45 HN VAL 45 -2.701 -1.664 13.871 355 HA VAL 45 HA VAL 45 -3.877 -1.218 16.525 356 HB VAL 45 HB VAL 45 -1.044 -2.110 16.050 357 1HG1 VAL 45 HG11 VAL 45 -2.588 -1.815 18.264 358 2HG1 VAL 45 HG12 VAL 45 -1.279 -2.991 18.142 359 3HG1 VAL 45 HG13 VAL 45 -2.946 -3.492 17.857 360 1HG2 VAL 45 HG21 VAL 45 -1.769 -3.718 14.660 361 2HG2 VAL 45 HG22 VAL 45 -3.465 -3.346 14.960 362 3HG2 VAL 45 HG23 VAL 45 -2.594 -4.421 16.050 363 H ILE 46 HN ILE 46 -3.579 0.644 17.578 364 HA ILE 46 HA ILE 46 -1.068 2.170 17.074 365 HB ILE 46 HB ILE 46 -3.838 3.312 17.575 366 1HG1 ILE 46 HG12 ILE 46 -1.993 3.274 15.155 367 2HG1 ILE 46 HG11 ILE 46 -3.560 2.478 15.288 368 1HG2 ILE 46 HG21 ILE 46 -2.813 5.483 17.509 369 2HG2 ILE 46 HG22 ILE 46 -1.279 4.819 16.952 370 3HG2 ILE 46 HG23 ILE 46 -1.812 4.534 18.606 371 1HD1 ILE 46 HD11 ILE 46 -3.947 5.218 15.984 372 2HD1 ILE 46 HD12 ILE 46 -4.561 4.364 14.567 373 3HD1 ILE 46 HD13 ILE 46 -2.999 5.184 14.496 374 H PHE 47 HN PHE 47 0.103 2.120 18.870 375 HA PHE 47 HA PHE 47 -1.029 1.183 21.396 376 1HB PHE 47 HB2 PHE 47 1.058 0.330 21.109 377 2HB PHE 47 HB1 PHE 47 1.660 1.784 20.300 378 HD1 PHE 47 HD1 PHE 47 2.145 3.834 21.586 379 HD2 PHE 47 HD2 PHE 47 1.047 0.121 23.451 380 HE1 PHE 47 HE1 PHE 47 3.046 4.665 23.765 381 HE2 PHE 47 HE2 PHE 47 1.938 0.948 25.633 382 HZ PHE 47 HZ PHE 47 2.933 3.221 25.783 383 H ALA 48 HN ALA 48 -1.561 2.375 23.147 384 HA ALA 48 HA ALA 48 -1.823 4.220 24.572 385 1HB ALA 48 HB1 ALA 48 0.022 5.930 24.506 386 2HB ALA 48 HB2 ALA 48 0.693 5.072 23.120 387 3HB ALA 48 HB3 ALA 48 0.594 4.272 24.688 388 H GLY 49 HN GLY 49 -2.522 4.224 21.476 389 1HA GLY 49 HA2 GLY 49 -3.939 5.619 20.230 390 2HA GLY 49 HA1 GLY 49 -3.972 6.725 21.601 391 H LYS 50 HN LYS 50 -0.766 5.872 20.592 392 HA LYS 50 HA LYS 50 -0.559 8.599 19.430 393 1HB LYS 50 HB2 LYS 50 1.094 7.137 21.180 394 2HB LYS 50 HB1 LYS 50 1.966 7.197 19.647 395 1HG LYS 50 HG2 LYS 50 2.592 9.292 20.197 396 2HG LYS 50 HG1 LYS 50 0.912 9.773 19.961 397 1HD LYS 50 HD2 LYS 50 0.855 10.311 22.147 398 2HD LYS 50 HD1 LYS 50 0.961 8.585 22.498 399 1HE LYS 50 HE2 LYS 50 3.584 9.423 21.850 400 2HE LYS 50 HE1 LYS 50 2.934 10.639 22.950 401 1HZ LYS 50 HZ1 LYS 50 2.724 9.151 24.630 402 2HZ LYS 50 HZ2 LYS 50 4.034 8.430 23.821 403 3HZ LYS 50 HZ3 LYS 50 2.459 7.830 23.599 404 H GLU 51 HN GLU 51 -0.513 8.810 17.278 405 HA GLU 51 HA GLU 51 -0.783 6.735 15.453 406 1HB GLU 51 HB2 GLU 51 -0.788 9.387 15.167 407 2HB GLU 51 HB1 GLU 51 0.839 9.066 14.555 408 1HG GLU 51 HG2 GLU 51 -0.315 8.712 12.599 409 2HG GLU 51 HG1 GLU 51 -0.472 7.094 13.294 410 H LEU 52 HN LEU 52 0.558 5.003 15.743 411 HA LEU 52 HA LEU 52 3.454 5.448 15.272 412 1HB LEU 52 HB2 LEU 52 3.864 4.209 17.087 413 2HB LEU 52 HB1 LEU 52 2.144 4.275 17.440 414 HG LEU 52 HG LEU 52 1.892 2.285 15.931 415 1HD1 LEU 52 HD11 LEU 52 3.758 1.309 15.010 416 2HD1 LEU 52 HD12 LEU 52 4.779 1.746 16.382 417 3HD1 LEU 52 HD13 LEU 52 4.385 2.955 15.152 418 1HD2 LEU 52 HD21 LEU 52 2.198 0.921 17.796 419 2HD2 LEU 52 HD22 LEU 52 2.261 2.513 18.559 420 3HD2 LEU 52 HD23 LEU 52 3.754 1.654 18.186 421 HA PRO 53 HA PRO 53 2.282 3.502 11.464 422 1HB PRO 53 HB2 PRO 53 4.772 3.682 10.308 423 2HB PRO 53 HB1 PRO 53 3.610 5.017 10.397 424 1HG PRO 53 HG2 PRO 53 6.084 4.568 12.005 425 2HG PRO 53 HG1 PRO 53 5.295 6.090 11.561 426 1HD PRO 53 HD2 PRO 53 5.121 4.843 14.075 427 2HD PRO 53 HD1 PRO 53 4.031 6.112 13.477 428 H ASN 54 HN ASN 54 4.071 1.988 9.935 429 HA ASN 54 HA ASN 54 4.371 -0.413 11.674 430 1HB ASN 54 HB2 ASN 54 4.199 -1.680 9.499 431 2HB ASN 54 HB1 ASN 54 2.745 -0.790 9.956 432 1HD2 ASN 54 HD21 ASN 54 2.310 1.268 8.797 433 2HD2 ASN 54 HD22 ASN 54 3.017 1.560 7.281 434 H HIS 55 HN HIS 55 5.922 1.097 8.788 435 HA HIS 55 HA HIS 55 8.176 -0.495 8.602 436 1HB HIS 55 HB2 HIS 55 9.420 1.481 7.801 437 2HB HIS 55 HB1 HIS 55 7.790 1.450 7.131 438 HD1 HIS 55 HD1 HIS 55 6.105 3.215 7.985 439 HD2 HIS 55 HD2 HIS 55 9.899 3.580 9.668 440 HE1 HIS 55 HE1 HIS 55 6.159 5.464 9.146 441 H LEU 56 HN LEU 56 7.343 1.677 11.198 442 HA LEU 56 HA LEU 56 9.980 1.708 12.426 443 1HB LEU 56 HB2 LEU 56 7.205 2.316 13.494 444 2HB LEU 56 HB1 LEU 56 8.685 2.534 14.430 445 HG LEU 56 HG LEU 56 7.930 3.928 11.848 446 1HD1 LEU 56 HD11 LEU 56 7.317 5.634 13.189 447 2HD1 LEU 56 HD12 LEU 56 8.853 5.568 14.052 448 3HD1 LEU 56 HD13 LEU 56 7.508 4.549 14.565 449 1HD2 LEU 56 HD21 LEU 56 10.208 3.666 11.510 450 2HD2 LEU 56 HD22 LEU 56 10.555 3.538 13.234 451 3HD2 LEU 56 HD23 LEU 56 10.226 5.115 12.516 452 H THR 57 HN THR 57 10.442 0.539 14.500 453 HA THR 57 HA THR 57 9.329 -2.188 14.363 454 HB THR 57 HB THR 57 11.088 -2.277 16.430 455 HG1 THR 57 HG1 THR 57 12.805 -0.883 15.146 456 1HG2 THR 57 HG21 THR 57 10.916 -3.132 13.777 457 2HG2 THR 57 HG22 THR 57 12.102 -3.662 14.972 458 3HG2 THR 57 HG23 THR 57 12.485 -2.330 13.880 459 H VAL 58 HN VAL 58 8.939 -3.261 16.583 460 HA VAL 58 HA VAL 58 6.697 -2.008 17.803 461 HB VAL 58 HB VAL 58 8.350 -4.436 18.312 462 1HG1 VAL 58 HG11 VAL 58 6.282 -3.493 20.315 463 2HG1 VAL 58 HG12 VAL 58 8.019 -3.344 20.584 464 3HG1 VAL 58 HG13 VAL 58 7.287 -4.934 20.410 465 1HG2 VAL 58 HG21 VAL 58 5.451 -3.715 17.848 466 2HG2 VAL 58 HG22 VAL 58 5.926 -5.334 18.377 467 3HG2 VAL 58 HG23 VAL 58 6.521 -4.697 16.844 468 H GLN 59 HN GLN 59 10.114 -1.886 18.609 469 HA GLN 59 HA GLN 59 9.555 -0.629 21.225 470 1HB GLN 59 HB2 GLN 59 11.771 -1.927 19.957 471 2HB GLN 59 HB1 GLN 59 12.265 -0.320 20.484 472 1HG GLN 59 HG2 GLN 59 10.663 -2.026 22.358 473 2HG GLN 59 HG1 GLN 59 12.383 -2.362 22.165 474 1HE2 GLN 59 HE21 GLN 59 13.697 -0.058 22.135 475 2HE2 GLN 59 HE22 GLN 59 13.301 0.954 23.438 476 H ASN 60 HN ASN 60 8.969 0.508 18.425 477 HA ASN 60 HA ASN 60 10.587 2.973 18.391 478 1HB ASN 60 HB2 ASN 60 9.850 1.816 16.273 479 2HB ASN 60 HB1 ASN 60 8.189 2.253 16.675 480 1HD2 ASN 60 HD21 ASN 60 7.887 4.729 17.110 481 2HD2 ASN 60 HD22 ASN 60 8.756 5.784 16.103 482 H CYS 61 HN CYS 61 7.101 2.257 18.459 483 HA CYS 61 HA CYS 61 6.409 4.867 19.510 484 1HB CYS 61 HB2 CYS 61 4.939 3.167 18.172 485 2HB CYS 61 HB1 CYS 61 4.647 2.446 19.754 486 HG CYS 61 HG CYS 61 3.555 5.151 18.797 487 H ASP 62 HN ASP 62 7.781 2.099 20.822 488 HA ASP 62 HA ASP 62 8.497 1.806 23.075 489 1HB ASP 62 HB2 ASP 62 7.521 4.281 23.381 490 2HB ASP 62 HB1 ASP 62 6.200 3.399 24.149 491 H LEU 63 HN LEU 63 6.673 0.384 21.359 492 HA LEU 63 HA LEU 63 4.365 -0.502 22.924 493 1HB LEU 63 HB2 LEU 63 5.745 -1.772 20.573 494 2HB LEU 63 HB1 LEU 63 4.148 -2.189 21.194 495 HG LEU 63 HG LEU 63 4.271 0.634 20.883 496 1HD1 LEU 63 HD11 LEU 63 4.446 -0.027 18.177 497 2HD1 LEU 63 HD12 LEU 63 5.792 -0.865 18.937 498 3HD1 LEU 63 HD13 LEU 63 5.626 0.878 19.118 499 1HD2 LEU 63 HD21 LEU 63 2.832 -1.445 19.225 500 2HD2 LEU 63 HD22 LEU 63 2.318 0.213 19.542 501 3HD2 LEU 63 HD23 LEU 63 2.343 -0.973 20.854 502 H GLU 64 HN GLU 64 7.356 -2.167 21.875 503 HA GLU 64 HA GLU 64 8.481 -4.006 22.826 504 1HB GLU 64 HB2 GLU 64 7.458 -2.830 25.418 505 2HB GLU 64 HB1 GLU 64 8.885 -3.842 25.201 506 1HG GLU 64 HG2 GLU 64 10.101 -2.131 24.164 507 2HG GLU 64 HG1 GLU 64 8.646 -1.242 23.711 508 H GLN 65 HN GLN 65 7.730 -5.340 25.280 509 HA GLN 65 HA GLN 65 5.349 -6.803 24.259 510 1HB GLN 65 HB2 GLN 65 6.260 -8.043 26.617 511 2HB GLN 65 HB1 GLN 65 6.516 -8.609 24.967 512 1HG GLN 65 HG2 GLN 65 8.694 -8.461 25.854 513 2HG GLN 65 HG1 GLN 65 8.522 -6.959 24.947 514 1HE2 GLN 65 HE21 GLN 65 9.860 -5.614 26.285 515 2HE2 GLN 65 HE22 GLN 65 9.495 -5.277 27.908 516 H GLN 66 HN GLN 66 3.409 -6.881 25.524 517 HA GLN 66 HA GLN 66 1.927 -6.194 27.233 518 1HB GLN 66 HB2 GLN 66 4.438 -6.317 28.548 519 2HB GLN 66 HB1 GLN 66 3.793 -4.718 28.913 520 1HG GLN 66 HG2 GLN 66 1.636 -5.803 29.588 521 2HG GLN 66 HG1 GLN 66 2.405 -7.376 29.363 522 1HE2 GLN 66 HE21 GLN 66 1.930 -4.823 31.611 523 2HE2 GLN 66 HE22 GLN 66 3.062 -5.327 32.771 524 H SER 67 HN SER 67 0.837 -4.559 26.171 525 HA SER 67 HA SER 67 1.529 -1.785 26.540 526 1HB SER 67 HB2 SER 67 2.974 -3.041 24.528 527 2HB SER 67 HB1 SER 67 1.622 -2.317 23.666 528 HG SER 67 HG SER 67 3.039 -0.849 25.609 529 H ILE 68 HN ILE 68 -0.441 -0.744 26.321 530 HA ILE 68 HA ILE 68 -2.621 -2.411 25.340 531 HB ILE 68 HB ILE 68 -2.250 0.044 26.925 532 1HG1 ILE 68 HG12 ILE 68 -3.887 -0.939 28.300 533 2HG1 ILE 68 HG11 ILE 68 -4.580 -1.857 26.970 534 1HG2 ILE 68 HG21 ILE 68 -4.532 -0.308 24.999 535 2HG2 ILE 68 HG22 ILE 68 -3.473 1.091 25.185 536 3HG2 ILE 68 HG23 ILE 68 -4.661 0.706 26.434 537 1HD1 ILE 68 HD11 ILE 68 -1.820 -2.631 27.225 538 2HD1 ILE 68 HD12 ILE 68 -3.264 -3.604 27.492 539 3HD1 ILE 68 HD13 ILE 68 -2.568 -2.687 28.821 540 H VAL 69 HN VAL 69 -2.960 -2.495 23.233 541 HA VAL 69 HA VAL 69 -2.256 -0.169 21.530 542 HB VAL 69 HB VAL 69 -2.876 -2.408 19.923 543 1HG1 VAL 69 HG11 VAL 69 -0.397 -0.910 20.719 544 2HG1 VAL 69 HG12 VAL 69 -1.213 -0.957 19.156 545 3HG1 VAL 69 HG13 VAL 69 -0.257 -2.338 19.695 546 1HG2 VAL 69 HG21 VAL 69 -2.623 -4.034 21.563 547 2HG2 VAL 69 HG22 VAL 69 -1.373 -3.132 22.425 548 3HG2 VAL 69 HG23 VAL 69 -0.995 -3.931 20.901 549 H HIS 70 HN HIS 70 -3.791 0.169 19.638 550 HA HIS 70 HA HIS 70 -6.575 -0.633 20.366 551 1HB HIS 70 HB2 HIS 70 -6.091 1.761 20.894 552 2HB HIS 70 HB1 HIS 70 -5.703 2.027 19.196 553 HD1 HIS 70 HD1 HIS 70 -8.201 3.215 20.929 554 HD2 HIS 70 HD2 HIS 70 -8.329 0.234 18.022 555 HE1 HIS 70 HE1 HIS 70 -10.575 3.177 20.049 556 H ILE 71 HN ILE 71 -7.076 -2.115 18.782 557 HA ILE 71 HA ILE 71 -6.111 -1.778 16.046 558 HB ILE 71 HB ILE 71 -6.442 -3.975 15.846 559 1HG1 ILE 71 HG12 ILE 71 -8.709 -4.898 16.902 560 2HG1 ILE 71 HG11 ILE 71 -9.171 -3.237 16.622 561 1HG2 ILE 71 HG21 ILE 71 -5.564 -3.916 18.118 562 2HG2 ILE 71 HG22 ILE 71 -6.658 -5.275 17.859 563 3HG2 ILE 71 HG23 ILE 71 -7.209 -3.866 18.739 564 1HD1 ILE 71 HD11 ILE 71 -7.957 -5.124 14.613 565 2HD1 ILE 71 HD12 ILE 71 -8.296 -3.420 14.296 566 3HD1 ILE 71 HD13 ILE 71 -9.625 -4.545 14.607 567 H VAL 72 HN VAL 72 -7.389 -1.212 14.287 568 HA VAL 72 HA VAL 72 -10.260 -0.702 14.801 569 HB VAL 72 HB VAL 72 -8.210 1.356 14.530 570 1HG1 VAL 72 HG11 VAL 72 -8.795 1.423 12.198 571 2HG1 VAL 72 HG12 VAL 72 -9.636 2.765 12.976 572 3HG1 VAL 72 HG13 VAL 72 -10.514 1.291 12.567 573 1HG2 VAL 72 HG21 VAL 72 -11.186 1.695 14.936 574 2HG2 VAL 72 HG22 VAL 72 -9.876 2.688 15.576 575 3HG2 VAL 72 HG23 VAL 72 -10.148 1.068 16.217 576 H GLN 73 HN GLN 73 -11.499 -1.151 13.037 577 HA GLN 73 HA GLN 73 -10.062 -1.880 10.521 578 1HB GLN 73 HB2 GLN 73 -11.371 -3.694 11.649 579 2HB GLN 73 HB1 GLN 73 -12.827 -2.717 11.452 580 1HG GLN 73 HG2 GLN 73 -11.881 -2.683 8.906 581 2HG GLN 73 HG1 GLN 73 -11.301 -4.263 9.438 582 1HE2 GLN 73 HE21 GLN 73 -14.327 -2.519 10.325 583 2HE2 GLN 73 HE22 GLN 73 -15.366 -3.750 9.790 584 H ARG 74 HN ARG 74 -10.373 -0.510 8.820 585 HA ARG 74 HA ARG 74 -11.706 1.896 8.847 586 1HB ARG 74 HB2 ARG 74 -11.369 -0.020 6.525 587 2HB ARG 74 HB1 ARG 74 -11.951 1.634 6.336 588 1HG ARG 74 HG2 ARG 74 -9.338 0.953 7.704 589 2HG ARG 74 HG1 ARG 74 -9.453 1.330 5.986 590 1HD ARG 74 HD2 ARG 74 -10.500 3.166 8.152 591 2HD ARG 74 HD1 ARG 74 -8.878 3.304 7.472 592 HE ARG 74 HE ARG 74 -11.248 3.425 5.664 593 1HH1 ARG 74 HH11 ARG 74 -8.291 3.879 4.920 594 2HH1 ARG 74 HH12 ARG 74 -8.259 5.606 4.792 595 1HH2 ARG 74 HH21 ARG 74 -11.282 6.048 6.427 596 2HH2 ARG 74 HH22 ARG 74 -9.952 6.834 5.646 597 HA PRO 75 HA PRO 75 -15.978 0.781 9.082 598 1HB PRO 75 HB2 PRO 75 -16.992 3.302 8.718 599 2HB PRO 75 HB1 PRO 75 -16.309 2.719 10.257 600 1HG PRO 75 HG2 PRO 75 -15.131 4.585 8.272 601 2HG PRO 75 HG1 PRO 75 -14.811 4.441 10.004 602 1HD PRO 75 HD2 PRO 75 -13.160 3.461 7.915 603 2HD PRO 75 HD1 PRO 75 -13.010 3.071 9.642 604 H ARG 76 HN ARG 76 -17.444 0.119 7.499 605 HA ARG 76 HA ARG 76 -16.910 0.598 4.714 606 1HB ARG 76 HB2 ARG 76 -19.337 -0.377 6.246 607 2HB ARG 76 HB1 ARG 76 -19.402 -0.126 4.502 608 1HG ARG 76 HG2 ARG 76 -17.128 -1.562 4.640 609 2HG ARG 76 HG1 ARG 76 -17.949 -2.197 6.066 610 1HD ARG 76 HD2 ARG 76 -18.451 -3.466 3.943 611 2HD ARG 76 HD1 ARG 76 -19.877 -2.831 4.763 612 HE ARG 76 HE ARG 76 -18.891 -0.956 2.796 613 1HH1 ARG 76 HH21 ARG 76 -21.249 -3.263 3.615 614 2HH1 ARG 76 HH22 ARG 76 -21.919 -3.373 2.023 615 1HH2 ARG 76 HH11 ARG 76 -19.516 -1.337 0.575 616 2HH2 ARG 76 HH12 ARG 76 -20.942 -2.283 0.305 617 H ARG 77 HN ARG 77 -18.404 2.039 3.316 618 HA ARG 77 HA ARG 77 -18.506 4.656 4.396 619 1HB ARG 77 HB2 ARG 77 -18.739 3.865 1.920 620 2HB ARG 77 HB1 ARG 77 -20.461 3.752 2.286 621 1HG ARG 77 HG2 ARG 77 -20.701 6.033 2.544 622 2HG ARG 77 HG1 ARG 77 -19.037 6.253 3.086 623 1HD ARG 77 HD2 ARG 77 -18.192 6.292 0.918 624 2HD ARG 77 HD1 ARG 77 -19.537 5.354 0.268 625 HE ARG 77 HE ARG 77 -19.436 8.182 0.284 626 1HH1 ARG 77 HH11 ARG 77 -21.321 7.932 2.563 627 2HH1 ARG 77 HH12 ARG 77 -22.858 7.807 1.774 628 1HH2 ARG 77 HH21 ARG 77 -21.508 7.013 -1.319 629 2HH2 ARG 77 HH22 ARG 77 -22.962 7.290 -0.422 630 H ARG 78 HN ARG 78 -19.509 4.589 6.482 631 HA ARG 78 HA ARG 78 -22.292 3.601 6.634 632 1HB ARG 78 HB2 ARG 78 -20.389 3.444 8.465 633 2HB ARG 78 HB1 ARG 78 -20.946 5.065 8.880 634 1HG ARG 78 HG2 ARG 78 -23.249 3.416 8.486 635 2HG ARG 78 HG1 ARG 78 -22.145 2.567 9.570 636 1HD ARG 78 HD2 ARG 78 -22.750 3.931 11.252 637 2HD ARG 78 HD1 ARG 78 -22.165 5.317 10.333 638 HE ARG 78 HE ARG 78 -24.841 4.385 9.566 639 1HH1 ARG 78 HH11 ARG 78 -22.979 6.292 11.750 640 2HH1 ARG 78 HH12 ARG 78 -24.192 7.514 11.927 641 1HH2 ARG 78 HH21 ARG 78 -26.401 6.022 9.710 642 2HH2 ARG 78 HH22 ARG 78 -26.130 7.360 10.776 Start of MODEL 8 1 1H MET 1 HT1 MET 1 12.969 -12.602 23.286 2 2H MET 1 HT2 MET 1 12.470 -13.903 24.258 3 3H MET 1 HT3 MET 1 14.070 -13.340 24.345 4 HA MET 1 HA MET 1 12.319 -12.656 26.141 5 1HB MET 1 HB2 MET 1 14.397 -10.901 24.817 6 2HB MET 1 HB1 MET 1 13.577 -10.443 26.311 7 1HG MET 1 HG2 MET 1 15.086 -11.669 27.444 8 2HG MET 1 HG1 MET 1 14.406 -13.111 26.687 9 1HE MET 1 HE1 MET 1 18.508 -12.688 26.649 10 2HE MET 1 HE2 MET 1 17.170 -13.144 27.699 11 3HE MET 1 HE3 MET 1 17.540 -11.441 27.448 12 H GLY 2 HN GLY 2 10.305 -12.690 24.604 13 1HA GLY 2 HA2 GLY 2 9.592 -9.841 24.018 14 2HA GLY 2 HA1 GLY 2 9.062 -11.166 22.975 15 H MET 3 HN MET 3 7.336 -9.340 24.386 16 HA MET 3 HA MET 3 6.014 -11.259 26.255 17 1HB MET 3 HB2 MET 3 7.069 -9.147 27.268 18 2HB MET 3 HB1 MET 3 5.794 -8.257 26.439 19 1HG MET 3 HG2 MET 3 5.174 -8.782 28.771 20 2HG MET 3 HG1 MET 3 4.088 -9.552 27.621 21 1HE MET 3 HE1 MET 3 5.817 -10.493 30.991 22 2HE MET 3 HE2 MET 3 6.858 -9.579 29.901 23 3HE MET 3 HE3 MET 3 7.273 -11.239 30.325 24 H ILE 4 HN ILE 4 3.659 -10.870 26.445 25 HA ILE 4 HA ILE 4 2.395 -10.744 23.839 26 HB ILE 4 HB ILE 4 1.732 -11.620 26.477 27 1HG1 ILE 4 HG12 ILE 4 -0.202 -12.655 25.333 28 2HG1 ILE 4 HG11 ILE 4 0.091 -11.653 23.919 29 1HG2 ILE 4 HG21 ILE 4 -0.515 -10.626 26.709 30 2HG2 ILE 4 HG22 ILE 4 -0.205 -9.624 25.292 31 3HG2 ILE 4 HG23 ILE 4 0.739 -9.381 26.764 32 1HD1 ILE 4 HD11 ILE 4 2.278 -13.404 25.012 33 2HD1 ILE 4 HD12 ILE 4 2.074 -12.783 23.372 34 3HD1 ILE 4 HD13 ILE 4 1.036 -14.084 23.960 35 H VAL 5 HN VAL 5 1.228 -9.068 22.963 36 HA VAL 5 HA VAL 5 1.381 -6.468 24.417 37 HB VAL 5 HB VAL 5 0.295 -6.079 21.831 38 1HG1 VAL 5 HG11 VAL 5 3.043 -5.609 23.027 39 2HG1 VAL 5 HG12 VAL 5 1.709 -4.461 22.921 40 3HG1 VAL 5 HG13 VAL 5 2.550 -4.972 21.458 41 1HG2 VAL 5 HG21 VAL 5 1.153 -8.332 21.264 42 2HG2 VAL 5 HG22 VAL 5 2.762 -7.851 21.791 43 3HG2 VAL 5 HG23 VAL 5 2.025 -7.078 20.387 44 H PHE 6 HN PHE 6 -0.586 -5.413 24.894 45 HA PHE 6 HA PHE 6 -2.916 -7.202 24.863 46 1HB PHE 6 HB2 PHE 6 -2.075 -5.471 26.720 47 2HB PHE 6 HB1 PHE 6 -3.131 -4.387 25.808 48 HD1 PHE 6 HD1 PHE 6 -5.117 -4.164 27.035 49 HD2 PHE 6 HD2 PHE 6 -3.405 -8.070 26.449 50 HE1 PHE 6 HE1 PHE 6 -7.113 -5.201 28.079 51 HE2 PHE 6 HE2 PHE 6 -5.397 -9.098 27.510 52 HZ PHE 6 HZ PHE 6 -7.252 -7.666 28.320 53 H VAL 7 HN VAL 7 -3.938 -7.280 22.904 54 HA VAL 7 HA VAL 7 -4.191 -4.786 21.332 55 HB VAL 7 HB VAL 7 -4.521 -7.703 20.794 56 1HG1 VAL 7 HG11 VAL 7 -6.349 -5.620 19.750 57 2HG1 VAL 7 HG12 VAL 7 -6.541 -7.369 19.782 58 3HG1 VAL 7 HG13 VAL 7 -5.595 -6.611 18.500 59 1HG2 VAL 7 HG21 VAL 7 -3.493 -5.394 19.107 60 2HG2 VAL 7 HG22 VAL 7 -3.217 -7.116 18.828 61 3HG2 VAL 7 HG23 VAL 7 -2.484 -6.321 20.223 62 H ARG 8 HN ARG 8 -5.889 -3.500 22.050 63 HA ARG 8 HA ARG 8 -8.259 -4.814 23.154 64 1HB ARG 8 HB2 ARG 8 -8.117 -1.919 22.292 65 2HB ARG 8 HB1 ARG 8 -9.076 -2.627 23.592 66 1HG ARG 8 HG2 ARG 8 -6.049 -2.419 23.567 67 2HG ARG 8 HG1 ARG 8 -7.128 -1.381 24.492 68 1HD ARG 8 HD2 ARG 8 -7.458 -4.314 24.865 69 2HD ARG 8 HD1 ARG 8 -5.988 -3.593 25.528 70 HE ARG 8 HE ARG 8 -7.322 -2.437 27.114 71 1HH1 ARG 8 HH11 ARG 8 -9.082 -4.964 26.258 72 2HH1 ARG 8 HH12 ARG 8 -10.645 -4.220 26.331 73 1HH2 ARG 8 HH21 ARG 8 -9.392 -0.991 26.486 74 2HH2 ARG 8 HH22 ARG 8 -10.821 -1.971 26.453 75 H PHE 9 HN PHE 9 -9.027 -6.095 21.554 76 HA PHE 9 HA PHE 9 -9.199 -5.423 18.786 77 1HB PHE 9 HB2 PHE 9 -9.782 -7.620 20.516 78 2HB PHE 9 HB1 PHE 9 -11.183 -7.343 19.490 79 HD1 PHE 9 HD1 PHE 9 -9.158 -6.205 17.094 80 HD2 PHE 9 HD2 PHE 9 -9.458 -9.773 19.526 81 HE1 PHE 9 HE1 PHE 9 -8.112 -7.508 15.355 82 HE2 PHE 9 HE2 PHE 9 -8.342 -11.055 17.735 83 HZ PHE 9 HZ PHE 9 -7.683 -9.930 15.637 84 H ASN 10 HN ASN 10 -10.863 -4.524 17.610 85 HA ASN 10 HA ASN 10 -12.556 -2.589 18.435 86 1HB ASN 10 HB2 ASN 10 -13.673 -2.816 16.437 87 2HB ASN 10 HB1 ASN 10 -12.315 -3.887 16.098 88 1HD2 ASN 10 HD21 ASN 10 -12.698 -6.270 16.585 89 2HD2 ASN 10 HD22 ASN 10 -14.273 -6.883 16.420 90 H SER 11 HN SER 11 -14.709 -2.408 19.242 91 HA SER 11 HA SER 11 -16.659 -3.114 20.376 92 1HB SER 11 HB2 SER 11 -15.665 -5.958 20.282 93 2HB SER 11 HB1 SER 11 -17.324 -5.372 20.336 94 HG SER 11 HG SER 11 -17.225 -5.565 18.245 95 H SER 12 HN SER 12 -16.329 -5.586 22.209 96 HA SER 12 HA SER 12 -14.647 -4.183 24.247 97 1HB SER 12 HB2 SER 12 -17.315 -4.881 24.404 98 2HB SER 12 HB1 SER 12 -16.520 -6.218 25.227 99 HG SER 12 HG SER 12 -15.289 -4.139 26.104 100 H TYR 13 HN TYR 13 -14.556 -6.749 22.185 101 HA TYR 13 HA TYR 13 -13.436 -8.712 24.075 102 1HB TYR 13 HB2 TYR 13 -14.703 -9.655 22.272 103 2HB TYR 13 HB1 TYR 13 -13.812 -8.715 21.073 104 HD1 TYR 13 HD1 TYR 13 -11.938 -9.660 20.022 105 HD2 TYR 13 HD2 TYR 13 -13.272 -11.245 23.786 106 HE1 TYR 13 HE1 TYR 13 -10.246 -11.467 19.860 107 HE2 TYR 13 HE2 TYR 13 -11.582 -13.055 23.621 108 HH TYR 13 HH TYR 13 -10.317 -14.190 21.396 109 H GLY 14 HN GLY 14 -11.288 -9.006 24.447 110 1HA GLY 14 HA2 GLY 14 -9.370 -7.493 22.719 111 2HA GLY 14 HA1 GLY 14 -9.147 -7.658 24.464 112 H PHE 15 HN PHE 15 -7.338 -8.610 22.283 113 HA PHE 15 HA PHE 15 -7.272 -11.446 23.171 114 1HB PHE 15 HB2 PHE 15 -7.523 -12.315 21.098 115 2HB PHE 15 HB1 PHE 15 -8.196 -10.744 20.675 116 HD1 PHE 15 HD1 PHE 15 -6.939 -9.136 19.339 117 HD2 PHE 15 HD2 PHE 15 -5.191 -12.872 20.587 118 HE1 PHE 15 HE1 PHE 15 -5.077 -8.818 17.748 119 HE2 PHE 15 HE2 PHE 15 -3.333 -12.538 18.977 120 HZ PHE 15 HZ PHE 15 -3.277 -10.507 17.558 121 HA PRO 16 HA PRO 16 -3.077 -10.362 23.832 122 1HB PRO 16 HB2 PRO 16 -2.121 -12.905 24.298 123 2HB PRO 16 HB1 PRO 16 -3.074 -11.981 25.475 124 1HG PRO 16 HG2 PRO 16 -3.919 -14.279 23.772 125 2HG PRO 16 HG1 PRO 16 -4.558 -13.751 25.337 126 1HD PRO 16 HD2 PRO 16 -5.751 -13.271 22.815 127 2HD PRO 16 HD1 PRO 16 -6.187 -12.475 24.343 128 H VAL 17 HN VAL 17 -1.170 -10.278 22.761 129 HA VAL 17 HA VAL 17 -0.937 -11.813 20.204 130 HB VAL 17 HB VAL 17 -0.531 -8.936 20.908 131 1HG1 VAL 17 HG11 VAL 17 1.633 -9.670 20.076 132 2HG1 VAL 17 HG12 VAL 17 0.826 -8.692 18.840 133 3HG1 VAL 17 HG13 VAL 17 0.864 -10.450 18.688 134 1HG2 VAL 17 HG21 VAL 17 -2.609 -9.759 19.842 135 2HG2 VAL 17 HG22 VAL 17 -1.651 -10.345 18.474 136 3HG2 VAL 17 HG23 VAL 17 -1.734 -8.615 18.815 137 H GLU 18 HN GLU 18 1.326 -12.269 19.566 138 HA GLU 18 HA GLU 18 3.224 -12.000 21.871 139 1HB GLU 18 HB2 GLU 18 2.366 -14.374 20.877 140 2HB GLU 18 HB1 GLU 18 3.751 -14.087 19.821 141 1HG GLU 18 HG2 GLU 18 4.653 -13.382 22.377 142 2HG GLU 18 HG1 GLU 18 3.715 -14.855 22.625 143 H VAL 19 HN VAL 19 4.695 -10.404 21.353 144 HA VAL 19 HA VAL 19 5.992 -10.560 18.683 145 HB VAL 19 HB VAL 19 5.228 -8.584 17.847 146 1HG1 VAL 19 HG11 VAL 19 3.311 -8.882 20.179 147 2HG1 VAL 19 HG12 VAL 19 3.108 -9.566 18.566 148 3HG1 VAL 19 HG13 VAL 19 3.052 -7.818 18.797 149 1HG2 VAL 19 HG21 VAL 19 6.601 -7.267 19.335 150 2HG2 VAL 19 HG22 VAL 19 5.505 -7.556 20.687 151 3HG2 VAL 19 HG23 VAL 19 4.987 -6.553 19.332 152 H ASP 20 HN ASP 20 7.907 -9.171 18.562 153 HA ASP 20 HA ASP 20 9.132 -8.713 21.246 154 1HB ASP 20 HB2 ASP 20 10.411 -9.501 18.605 155 2HB ASP 20 HB1 ASP 20 11.317 -9.076 20.058 156 H SER 21 HN SER 21 11.129 -7.058 20.767 157 HA SER 21 HA SER 21 9.896 -4.548 20.108 158 1HB SER 21 HB2 SER 21 12.803 -5.334 20.390 159 2HB SER 21 HB1 SER 21 12.236 -3.672 20.259 160 HG SER 21 HG SER 21 10.841 -4.266 22.116 161 H ASP 22 HN ASP 22 10.829 -6.967 18.032 162 HA ASP 22 HA ASP 22 11.818 -5.144 15.921 163 1HB ASP 22 HB2 ASP 22 12.006 -8.042 16.467 164 2HB ASP 22 HB1 ASP 22 11.809 -7.612 14.768 165 H THR 23 HN THR 23 8.913 -6.959 16.768 166 HA THR 23 HA THR 23 7.688 -7.394 14.327 167 HB THR 23 HB THR 23 5.796 -6.035 16.056 168 HG1 THR 23 HG1 THR 23 6.982 -8.180 17.339 169 1HG2 THR 23 HG21 THR 23 4.578 -7.895 15.584 170 2HG2 THR 23 HG22 THR 23 5.922 -8.979 15.945 171 3HG2 THR 23 HG23 THR 23 5.835 -8.175 14.378 172 H SER 24 HN SER 24 7.138 -6.169 12.610 173 HA SER 24 HA SER 24 7.865 -3.372 12.551 174 1HB SER 24 HB2 SER 24 6.327 -4.987 10.520 175 2HB SER 24 HB1 SER 24 7.131 -3.446 10.227 176 HG SER 24 HG SER 24 9.098 -4.437 10.638 177 H ILE 25 HN ILE 25 5.291 -4.629 13.938 178 HA ILE 25 HA ILE 25 3.323 -3.735 14.752 179 HB ILE 25 HB ILE 25 4.391 -1.359 13.282 180 1HG1 ILE 25 HG12 ILE 25 5.611 -2.098 15.279 181 2HG1 ILE 25 HG11 ILE 25 4.850 -0.531 15.530 182 1HG2 ILE 25 HG21 ILE 25 1.754 -1.771 14.604 183 2HG2 ILE 25 HG22 ILE 25 2.196 -0.686 13.281 184 3HG2 ILE 25 HG23 ILE 25 2.588 -0.248 14.948 185 1HD1 ILE 25 HD11 ILE 25 3.023 -1.548 16.766 186 2HD1 ILE 25 HD12 ILE 25 4.544 -2.110 17.460 187 3HD1 ILE 25 HD13 ILE 25 3.620 -3.165 16.401 188 H LEU 26 HN LEU 26 3.837 -3.464 11.191 189 HA LEU 26 HA LEU 26 0.917 -3.340 10.802 190 1HB LEU 26 HB2 LEU 26 1.994 -2.387 8.948 191 2HB LEU 26 HB1 LEU 26 3.273 -3.599 8.942 192 HG LEU 26 HG LEU 26 1.438 -3.734 7.136 193 1HD1 LEU 26 HD11 LEU 26 2.883 -5.698 8.650 194 2HD1 LEU 26 HD12 LEU 26 2.481 -5.713 6.926 195 3HD1 LEU 26 HD13 LEU 26 1.352 -6.388 8.101 196 1HD2 LEU 26 HD21 LEU 26 -0.707 -4.078 7.759 197 2HD2 LEU 26 HD22 LEU 26 -0.212 -3.817 9.424 198 3HD2 LEU 26 HD23 LEU 26 -0.248 -5.449 8.761 199 H GLN 27 HN GLN 27 3.613 -5.475 10.904 200 HA GLN 27 HA GLN 27 2.407 -7.939 10.166 201 1HB GLN 27 HB2 GLN 27 4.827 -6.924 11.344 202 2HB GLN 27 HB1 GLN 27 4.253 -8.279 12.330 203 1HG GLN 27 HG2 GLN 27 4.240 -8.589 9.347 204 2HG GLN 27 HG1 GLN 27 5.780 -8.726 10.202 205 1HE2 GLN 27 HE21 GLN 27 3.334 -10.625 9.061 206 2HE2 GLN 27 HE22 GLN 27 3.393 -11.892 10.189 207 H LEU 28 HN LEU 28 2.457 -5.921 12.996 208 HA LEU 28 HA LEU 28 1.186 -7.670 14.895 209 1HB LEU 28 HB2 LEU 28 2.356 -5.342 15.221 210 2HB LEU 28 HB1 LEU 28 0.801 -4.669 14.744 211 HG LEU 28 HG LEU 28 0.910 -4.812 17.166 212 1HD1 LEU 28 HD11 LEU 28 -1.220 -5.667 17.403 213 2HD1 LEU 28 HD12 LEU 28 -0.849 -7.104 16.455 214 3HD1 LEU 28 HD13 LEU 28 -1.149 -5.565 15.639 215 1HD2 LEU 28 HD21 LEU 28 1.599 -6.692 18.315 216 2HD2 LEU 28 HD22 LEU 28 2.499 -6.957 16.820 217 3HD2 LEU 28 HD23 LEU 28 0.969 -7.796 17.090 218 H LYS 29 HN LYS 29 0.037 -5.310 12.521 219 HA LYS 29 HA LYS 29 -2.770 -5.685 13.084 220 1HB LYS 29 HB2 LYS 29 -1.245 -4.521 10.749 221 2HB LYS 29 HB1 LYS 29 -3.004 -4.611 10.766 222 1HG LYS 29 HG2 LYS 29 -3.077 -2.732 11.986 223 2HG LYS 29 HG1 LYS 29 -2.165 -3.536 13.280 224 1HD LYS 29 HD2 LYS 29 -0.077 -2.908 12.171 225 2HD LYS 29 HD1 LYS 29 -0.959 -2.163 10.850 226 1HE LYS 29 HE2 LYS 29 -2.054 -0.702 12.719 227 2HE LYS 29 HE1 LYS 29 -0.705 -1.250 13.710 228 1HZ LYS 29 HZ1 LYS 29 0.634 0.171 12.694 229 2HZ LYS 29 HZ2 LYS 29 -0.703 0.804 11.857 230 3HZ LYS 29 HZ3 LYS 29 0.225 -0.442 11.167 231 H GLU 30 HN GLU 30 -0.390 -7.474 11.341 232 HA GLU 30 HA GLU 30 -2.217 -8.830 9.526 233 1HB GLU 30 HB2 GLU 30 0.602 -9.489 10.433 234 2HB GLU 30 HB1 GLU 30 -0.268 -10.370 9.178 235 1HG GLU 30 HG2 GLU 30 -0.086 -7.396 8.946 236 2HG GLU 30 HG1 GLU 30 1.345 -8.352 8.560 237 H VAL 31 HN VAL 31 -0.520 -9.772 12.525 238 HA VAL 31 HA VAL 31 -1.772 -12.356 12.787 239 HB VAL 31 HB VAL 31 -0.474 -10.466 14.792 240 1HG1 VAL 31 HG11 VAL 31 -0.465 -12.455 16.315 241 2HG1 VAL 31 HG12 VAL 31 -1.506 -13.301 15.170 242 3HG1 VAL 31 HG13 VAL 31 -2.091 -11.852 15.989 243 1HG2 VAL 31 HG21 VAL 31 1.416 -11.914 14.600 244 2HG2 VAL 31 HG22 VAL 31 0.877 -11.625 12.947 245 3HG2 VAL 31 HG23 VAL 31 0.484 -13.146 13.749 246 H VAL 32 HN VAL 32 -2.469 -9.160 14.184 247 HA VAL 32 HA VAL 32 -4.818 -9.987 15.602 248 HB VAL 32 HB VAL 32 -4.081 -7.282 14.433 249 1HG1 VAL 32 HG11 VAL 32 -6.530 -7.840 14.982 250 2HG1 VAL 32 HG12 VAL 32 -5.874 -6.353 15.657 251 3HG1 VAL 32 HG13 VAL 32 -6.047 -7.791 16.675 252 1HG2 VAL 32 HG21 VAL 32 -3.454 -8.724 16.976 253 2HG2 VAL 32 HG22 VAL 32 -3.742 -6.985 17.064 254 3HG2 VAL 32 HG23 VAL 32 -2.459 -7.619 16.034 255 H ALA 33 HN ALA 33 -4.133 -8.973 12.318 256 HA ALA 33 HA ALA 33 -6.829 -8.669 11.421 257 1HB ALA 33 HB1 ALA 33 -5.523 -9.536 9.181 258 2HB ALA 33 HB2 ALA 33 -4.155 -9.012 10.160 259 3HB ALA 33 HB3 ALA 33 -5.442 -7.874 9.762 260 H LYS 34 HN LYS 34 -4.761 -11.406 11.973 261 HA LYS 34 HA LYS 34 -6.200 -13.399 10.494 262 1HB LYS 34 HB2 LYS 34 -4.748 -13.950 13.089 263 2HB LYS 34 HB1 LYS 34 -4.873 -14.982 11.662 264 1HG LYS 34 HG2 LYS 34 -3.326 -12.431 11.971 265 2HG LYS 34 HG1 LYS 34 -2.664 -14.040 11.725 266 1HD LYS 34 HD2 LYS 34 -4.529 -12.776 9.710 267 2HD LYS 34 HD1 LYS 34 -2.789 -12.503 9.652 268 1HE LYS 34 HE2 LYS 34 -2.506 -15.029 9.688 269 2HE LYS 34 HE1 LYS 34 -4.247 -15.144 9.429 270 1HZ LYS 34 HZ1 LYS 34 -2.259 -14.728 7.524 271 2HZ LYS 34 HZ2 LYS 34 -3.160 -13.291 7.615 272 3HZ LYS 34 HZ3 LYS 34 -3.938 -14.765 7.284 273 H ARG 35 HN ARG 35 -6.331 -12.401 13.895 274 HA ARG 35 HA ARG 35 -8.475 -14.223 14.572 275 1HB ARG 35 HB2 ARG 35 -7.180 -11.880 15.924 276 2HB ARG 35 HB1 ARG 35 -8.666 -12.564 16.586 277 1HG ARG 35 HG2 ARG 35 -7.213 -13.962 17.662 278 2HG ARG 35 HG1 ARG 35 -7.266 -14.838 16.130 279 1HD ARG 35 HD2 ARG 35 -5.311 -13.491 15.350 280 2HD ARG 35 HD1 ARG 35 -5.220 -12.761 16.952 281 HE ARG 35 HE ARG 35 -4.128 -15.293 16.272 282 1HH1 ARG 35 HH21 ARG 35 -6.643 -16.009 17.886 283 2HH1 ARG 35 HH22 ARG 35 -5.979 -16.124 19.481 284 1HH2 ARG 35 HH11 ARG 35 -3.039 -14.479 18.664 285 2HH2 ARG 35 HH12 ARG 35 -3.941 -15.257 19.921 286 H GLN 36 HN GLN 36 -8.448 -10.880 13.410 287 HA GLN 36 HA GLN 36 -11.273 -10.481 14.062 288 1HB GLN 36 HB2 GLN 36 -9.076 -8.893 12.897 289 2HB GLN 36 HB1 GLN 36 -10.676 -8.520 12.252 290 1HG GLN 36 HG2 GLN 36 -10.450 -8.826 15.208 291 2HG GLN 36 HG1 GLN 36 -9.740 -7.380 14.490 292 1HE2 GLN 36 HE21 GLN 36 -11.153 -5.703 13.946 293 2HE2 GLN 36 HE22 GLN 36 -12.846 -5.838 13.932 294 H GLY 37 HN GLY 37 -9.565 -11.944 11.486 295 1HA GLY 37 HA2 GLY 37 -10.465 -13.045 9.583 296 2HA GLY 37 HA1 GLY 37 -12.063 -12.436 10.036 297 H VAL 38 HN VAL 38 -9.602 -10.107 10.085 298 HA VAL 38 HA VAL 38 -10.374 -9.079 7.385 299 HB VAL 38 HB VAL 38 -10.765 -6.962 8.250 300 1HG1 VAL 38 HG11 VAL 38 -11.949 -7.212 10.466 301 2HG1 VAL 38 HG12 VAL 38 -11.346 -8.871 10.537 302 3HG1 VAL 38 HG13 VAL 38 -12.450 -8.384 9.247 303 1HG2 VAL 38 HG21 VAL 38 -8.972 -7.767 10.564 304 2HG2 VAL 38 HG22 VAL 38 -9.803 -6.215 10.449 305 3HG2 VAL 38 HG23 VAL 38 -8.572 -6.646 9.262 306 HA PRO 39 HA PRO 39 -6.127 -8.672 6.642 307 1HB PRO 39 HB2 PRO 39 -6.200 -6.497 4.954 308 2HB PRO 39 HB1 PRO 39 -6.720 -8.128 4.495 309 1HG PRO 39 HG2 PRO 39 -8.391 -5.741 5.110 310 2HG PRO 39 HG1 PRO 39 -8.772 -7.143 4.107 311 1HD PRO 39 HD2 PRO 39 -9.682 -6.689 6.741 312 2HD PRO 39 HD1 PRO 39 -9.797 -8.213 5.833 313 H ALA 40 HN ALA 40 -4.341 -7.666 7.480 314 HA ALA 40 HA ALA 40 -4.392 -5.947 9.673 315 1HB ALA 40 HB1 ALA 40 -2.155 -5.731 7.713 316 2HB ALA 40 HB2 ALA 40 -2.464 -7.284 8.505 317 3HB ALA 40 HB3 ALA 40 -2.096 -5.856 9.473 318 H ASP 41 HN ASP 41 -4.825 -5.129 6.342 319 HA ASP 41 HA ASP 41 -3.978 -2.418 6.423 320 1HB ASP 41 HB2 ASP 41 -4.813 -3.991 4.436 321 2HB ASP 41 HB1 ASP 41 -6.343 -3.174 4.757 322 H GLN 42 HN GLN 42 -7.364 -3.623 6.546 323 HA GLN 42 HA GLN 42 -8.530 -1.162 7.405 324 1HB GLN 42 HB2 GLN 42 -9.537 -3.852 8.345 325 2HB GLN 42 HB1 GLN 42 -10.474 -2.422 7.902 326 1HG GLN 42 HG2 GLN 42 -9.621 -2.719 5.529 327 2HG GLN 42 HG1 GLN 42 -8.976 -4.276 6.040 328 1HE2 GLN 42 HE21 GLN 42 -11.805 -2.697 4.912 329 2HE2 GLN 42 HE22 GLN 42 -12.898 -3.963 5.198 330 H LEU 43 HN LEU 43 -7.529 -4.003 9.190 331 HA LEU 43 HA LEU 43 -7.985 -3.086 11.847 332 1HB LEU 43 HB2 LEU 43 -7.302 -5.395 10.645 333 2HB LEU 43 HB1 LEU 43 -5.711 -4.894 11.206 334 HG LEU 43 HG LEU 43 -6.904 -4.506 13.484 335 1HD1 LEU 43 HD11 LEU 43 -8.873 -5.894 13.851 336 2HD1 LEU 43 HD12 LEU 43 -8.753 -6.552 12.213 337 3HD1 LEU 43 HD13 LEU 43 -9.198 -4.862 12.444 338 1HD2 LEU 43 HD21 LEU 43 -5.707 -6.757 12.121 339 2HD2 LEU 43 HD22 LEU 43 -6.851 -7.317 13.345 340 3HD2 LEU 43 HD23 LEU 43 -5.520 -6.249 13.798 341 H ARG 44 HN ARG 44 -6.579 -1.929 13.282 342 HA ARG 44 HA ARG 44 -3.832 -1.470 12.433 343 1HB ARG 44 HB2 ARG 44 -5.778 0.450 11.721 344 2HB ARG 44 HB1 ARG 44 -4.724 1.154 12.956 345 1HG ARG 44 HG2 ARG 44 -3.021 1.297 11.487 346 2HG ARG 44 HG1 ARG 44 -3.149 -0.438 11.139 347 1HD ARG 44 HD2 ARG 44 -3.674 0.372 9.052 348 2HD ARG 44 HD1 ARG 44 -5.287 0.418 9.762 349 HE ARG 44 HE ARG 44 -3.959 2.891 10.311 350 1HH1 ARG 44 HH21 ARG 44 -6.498 1.649 8.633 351 2HH1 ARG 44 HH22 ARG 44 -6.431 2.754 7.302 352 1HH2 ARG 44 HH11 ARG 44 -3.354 4.072 8.207 353 2HH2 ARG 44 HH12 ARG 44 -4.650 4.123 7.060 354 H VAL 45 HN VAL 45 -2.673 -1.740 14.132 355 HA VAL 45 HA VAL 45 -3.757 -1.331 16.824 356 HB VAL 45 HB VAL 45 -0.909 -2.118 16.275 357 1HG1 VAL 45 HG11 VAL 45 -3.068 -2.670 18.287 358 2HG1 VAL 45 HG12 VAL 45 -1.382 -2.226 18.545 359 3HG1 VAL 45 HG13 VAL 45 -1.792 -3.866 18.056 360 1HG2 VAL 45 HG21 VAL 45 -3.193 -3.388 15.042 361 2HG2 VAL 45 HG22 VAL 45 -2.495 -4.466 16.243 362 3HG2 VAL 45 HG23 VAL 45 -1.488 -3.829 14.943 363 H ILE 46 HN ILE 46 -3.510 0.584 17.846 364 HA ILE 46 HA ILE 46 -1.090 2.220 17.217 365 HB ILE 46 HB ILE 46 -3.929 3.166 17.724 366 1HG1 ILE 46 HG12 ILE 46 -2.347 3.936 15.323 367 2HG1 ILE 46 HG11 ILE 46 -2.848 2.239 15.394 368 1HG2 ILE 46 HG21 ILE 46 -3.074 5.167 18.326 369 2HG2 ILE 46 HG22 ILE 46 -2.116 5.222 16.847 370 3HG2 ILE 46 HG23 ILE 46 -1.458 4.463 18.297 371 1HD1 ILE 46 HD11 ILE 46 -4.964 4.154 16.152 372 2HD1 ILE 46 HD12 ILE 46 -5.035 2.765 15.063 373 3HD1 ILE 46 HD13 ILE 46 -4.421 4.315 14.480 374 H PHE 47 HN PHE 47 0.146 2.400 19.010 375 HA PHE 47 HA PHE 47 -0.970 1.569 21.607 376 1HB PHE 47 HB2 PHE 47 1.071 0.584 21.206 377 2HB PHE 47 HB1 PHE 47 1.762 2.058 20.508 378 HD1 PHE 47 HD1 PHE 47 2.332 3.994 21.960 379 HD2 PHE 47 HD2 PHE 47 0.967 0.241 23.540 380 HE1 PHE 47 HE1 PHE 47 3.221 4.620 24.203 381 HE2 PHE 47 HE2 PHE 47 1.850 0.864 25.790 382 HZ PHE 47 HZ PHE 47 2.974 3.055 26.116 383 H ALA 48 HN ALA 48 -1.429 2.848 23.265 384 HA ALA 48 HA ALA 48 -1.625 4.728 24.634 385 1HB ALA 48 HB1 ALA 48 0.413 6.210 24.675 386 2HB ALA 48 HB2 ALA 48 1.060 5.233 23.359 387 3HB ALA 48 HB3 ALA 48 0.739 4.495 24.929 388 H GLY 49 HN GLY 49 -2.153 4.940 21.490 389 1HA GLY 49 HA2 GLY 49 -3.619 6.677 20.617 390 2HA GLY 49 HA1 GLY 49 -2.861 7.817 21.726 391 H LYS 50 HN LYS 50 -0.219 6.275 20.666 392 HA LYS 50 HA LYS 50 0.134 8.287 18.508 393 1HB LYS 50 HB2 LYS 50 2.053 6.521 20.048 394 2HB LYS 50 HB1 LYS 50 2.554 7.447 18.633 395 1HG LYS 50 HG2 LYS 50 2.998 9.041 20.225 396 2HG LYS 50 HG1 LYS 50 1.287 9.400 19.992 397 1HD LYS 50 HD2 LYS 50 1.517 9.205 22.338 398 2HD LYS 50 HD1 LYS 50 0.860 7.646 21.839 399 1HE LYS 50 HE2 LYS 50 2.758 6.527 22.405 400 2HE LYS 50 HE1 LYS 50 3.806 7.801 21.780 401 1HZ LYS 50 HZ1 LYS 50 3.718 7.389 24.303 402 2HZ LYS 50 HZ2 LYS 50 2.243 8.230 24.241 403 3HZ LYS 50 HZ3 LYS 50 3.677 8.989 23.738 404 H GLU 51 HN GLU 51 -0.280 7.622 16.466 405 HA GLU 51 HA GLU 51 -0.612 4.808 15.833 406 1HB GLU 51 HB2 GLU 51 -1.986 6.021 14.448 407 2HB GLU 51 HB1 GLU 51 -0.883 7.396 14.385 408 1HG GLU 51 HG2 GLU 51 0.422 6.448 12.703 409 2HG GLU 51 HG1 GLU 51 -0.072 4.804 13.108 410 H LEU 52 HN LEU 52 1.217 3.588 15.830 411 HA LEU 52 HA LEU 52 3.767 4.704 14.953 412 1HB LEU 52 HB2 LEU 52 3.386 1.762 15.300 413 2HB LEU 52 HB1 LEU 52 4.744 2.781 15.780 414 HG LEU 52 HG LEU 52 2.042 2.595 17.109 415 1HD1 LEU 52 HD11 LEU 52 3.346 0.849 17.925 416 2HD1 LEU 52 HD12 LEU 52 3.712 2.136 19.072 417 3HD1 LEU 52 HD13 LEU 52 4.846 1.763 17.773 418 1HD2 LEU 52 HD21 LEU 52 4.306 4.576 17.375 419 2HD2 LEU 52 HD22 LEU 52 3.233 4.246 18.738 420 3HD2 LEU 52 HD23 LEU 52 2.579 4.903 17.236 421 HA PRO 53 HA PRO 53 3.103 3.432 10.778 422 1HB PRO 53 HB2 PRO 53 5.628 4.006 9.899 423 2HB PRO 53 HB1 PRO 53 4.376 5.237 10.116 424 1HG PRO 53 HG2 PRO 53 6.760 4.676 11.806 425 2HG PRO 53 HG1 PRO 53 5.858 6.184 11.616 426 1HD PRO 53 HD2 PRO 53 5.655 4.397 13.807 427 2HD PRO 53 HD1 PRO 53 4.526 5.718 13.433 428 H ASN 54 HN ASN 54 3.348 1.403 9.940 429 HA ASN 54 HA ASN 54 4.414 -0.692 11.381 430 1HB ASN 54 HB2 ASN 54 4.446 -1.948 9.194 431 2HB ASN 54 HB1 ASN 54 2.947 -1.087 9.538 432 1HD2 ASN 54 HD21 ASN 54 5.817 -1.091 7.467 433 2HD2 ASN 54 HD22 ASN 54 5.242 0.076 6.377 434 H HIS 55 HN HIS 55 6.156 0.942 8.652 435 HA HIS 55 HA HIS 55 8.453 -0.605 8.670 436 1HB HIS 55 HB2 HIS 55 9.739 1.493 8.072 437 2HB HIS 55 HB1 HIS 55 8.326 1.170 7.074 438 HD1 HIS 55 HD1 HIS 55 6.963 3.205 6.692 439 HD2 HIS 55 HD2 HIS 55 8.866 3.315 10.396 440 HE1 HIS 55 HE1 HIS 55 6.371 5.438 7.730 441 H LEU 56 HN LEU 56 7.545 1.823 11.079 442 HA LEU 56 HA LEU 56 10.058 1.795 12.496 443 1HB LEU 56 HB2 LEU 56 7.233 2.542 13.247 444 2HB LEU 56 HB1 LEU 56 8.500 2.490 14.473 445 HG LEU 56 HG LEU 56 8.477 4.170 11.955 446 1HD1 LEU 56 HD11 LEU 56 7.918 4.636 14.817 447 2HD1 LEU 56 HD12 LEU 56 7.362 5.528 13.403 448 3HD1 LEU 56 HD13 LEU 56 8.969 5.832 14.059 449 1HD2 LEU 56 HD21 LEU 56 10.639 4.958 13.496 450 2HD2 LEU 56 HD22 LEU 56 10.727 3.978 12.033 451 3HD2 LEU 56 HD23 LEU 56 10.681 3.200 13.613 452 H THR 57 HN THR 57 10.397 0.698 14.629 453 HA THR 57 HA THR 57 9.344 -2.056 14.454 454 HB THR 57 HB THR 57 11.133 -2.126 16.503 455 HG1 THR 57 HG1 THR 57 11.582 0.110 16.186 456 1HG2 THR 57 HG21 THR 57 12.431 -2.163 13.882 457 2HG2 THR 57 HG22 THR 57 10.896 -3.035 13.893 458 3HG2 THR 57 HG23 THR 57 12.175 -3.483 15.025 459 H VAL 58 HN VAL 58 9.016 -3.154 16.646 460 HA VAL 58 HA VAL 58 6.727 -2.081 17.899 461 HB VAL 58 HB VAL 58 8.718 -4.216 18.691 462 1HG1 VAL 58 HG11 VAL 58 6.989 -4.830 20.446 463 2HG1 VAL 58 HG12 VAL 58 6.254 -3.249 20.174 464 3HG1 VAL 58 HG13 VAL 58 7.902 -3.361 20.791 465 1HG2 VAL 58 HG21 VAL 58 5.990 -4.053 17.441 466 2HG2 VAL 58 HG22 VAL 58 6.411 -5.486 18.380 467 3HG2 VAL 58 HG23 VAL 58 7.380 -5.035 16.977 468 H GLN 59 HN GLN 59 10.134 -1.830 18.820 469 HA GLN 59 HA GLN 59 9.415 -0.374 21.298 470 1HB GLN 59 HB2 GLN 59 11.692 -1.828 20.264 471 2HB GLN 59 HB1 GLN 59 12.167 -0.258 20.902 472 1HG GLN 59 HG2 GLN 59 10.232 -1.576 22.639 473 2HG GLN 59 HG1 GLN 59 11.676 -2.564 22.408 474 1HE2 GLN 59 HE21 GLN 59 13.731 -1.706 23.163 475 2HE2 GLN 59 HE22 GLN 59 13.807 -0.361 24.195 476 H ASN 60 HN ASN 60 9.003 0.681 18.513 477 HA ASN 60 HA ASN 60 10.936 2.896 18.327 478 1HB ASN 60 HB2 ASN 60 9.433 1.645 16.410 479 2HB ASN 60 HB1 ASN 60 8.469 3.093 16.711 480 1HD2 ASN 60 HD21 ASN 60 9.421 5.179 16.202 481 2HD2 ASN 60 HD22 ASN 60 10.858 5.313 15.309 482 H CYS 61 HN CYS 61 7.359 2.803 18.563 483 HA CYS 61 HA CYS 61 7.286 5.489 19.689 484 1HB CYS 61 HB2 CYS 61 5.075 5.304 19.240 485 2HB CYS 61 HB1 CYS 61 5.383 3.678 18.629 486 HG CYS 61 HG CYS 61 5.083 2.901 21.237 487 H ASP 62 HN ASP 62 7.957 2.361 20.779 488 HA ASP 62 HA ASP 62 8.929 1.896 22.907 489 1HB ASP 62 HB2 ASP 62 8.451 4.433 23.462 490 2HB ASP 62 HB1 ASP 62 7.048 3.762 24.298 491 H LEU 63 HN LEU 63 6.694 0.732 21.430 492 HA LEU 63 HA LEU 63 4.444 0.155 23.118 493 1HB LEU 63 HB2 LEU 63 5.888 -1.615 21.136 494 2HB LEU 63 HB1 LEU 63 4.320 -1.991 21.862 495 HG LEU 63 HG LEU 63 4.361 0.717 20.859 496 1HD1 LEU 63 HD11 LEU 63 5.648 -1.357 19.282 497 2HD1 LEU 63 HD12 LEU 63 5.618 0.390 19.035 498 3HD1 LEU 63 HD13 LEU 63 4.294 -0.608 18.436 499 1HD2 LEU 63 HD21 LEU 63 2.315 -0.021 19.791 500 2HD2 LEU 63 HD22 LEU 63 2.388 -0.739 21.402 501 3HD2 LEU 63 HD23 LEU 63 2.775 -1.715 19.982 502 H GLU 64 HN GLU 64 7.302 -1.868 22.539 503 HA GLU 64 HA GLU 64 8.549 -3.259 23.962 504 1HB GLU 64 HB2 GLU 64 7.558 -1.088 25.775 505 2HB GLU 64 HB1 GLU 64 8.400 -2.472 26.471 506 1HG GLU 64 HG2 GLU 64 10.141 -1.990 24.543 507 2HG GLU 64 HG1 GLU 64 9.429 -0.377 24.591 508 H GLN 65 HN GLN 65 8.369 -5.041 25.326 509 HA GLN 65 HA GLN 65 6.229 -6.698 25.347 510 1HB GLN 65 HB2 GLN 65 7.019 -7.340 27.792 511 2HB GLN 65 HB1 GLN 65 8.060 -7.655 26.400 512 1HG GLN 65 HG2 GLN 65 9.525 -6.601 27.879 513 2HG GLN 65 HG1 GLN 65 8.977 -5.242 26.914 514 1HE2 GLN 65 HE21 GLN 65 7.892 -3.550 27.994 515 2HE2 GLN 65 HE22 GLN 65 7.452 -3.606 29.633 516 H GLN 66 HN GLN 66 4.122 -6.620 26.081 517 HA GLN 66 HA GLN 66 2.297 -6.040 27.447 518 1HB GLN 66 HB2 GLN 66 4.182 -6.128 29.292 519 2HB GLN 66 HB1 GLN 66 4.116 -4.370 29.181 520 1HG GLN 66 HG2 GLN 66 1.883 -4.280 29.905 521 2HG GLN 66 HG1 GLN 66 1.588 -5.973 29.504 522 1HE2 GLN 66 HE21 GLN 66 1.926 -4.032 32.141 523 2HE2 GLN 66 HE22 GLN 66 2.615 -5.132 33.235 524 H SER 67 HN SER 67 1.125 -4.614 26.229 525 HA SER 67 HA SER 67 1.574 -1.745 26.479 526 1HB SER 67 HB2 SER 67 3.091 -3.014 24.542 527 2HB SER 67 HB1 SER 67 1.684 -2.460 23.642 528 HG SER 67 HG SER 67 2.940 -0.737 25.471 529 H ILE 68 HN ILE 68 -0.497 -0.966 26.466 530 HA ILE 68 HA ILE 68 -2.574 -2.641 25.280 531 HB ILE 68 HB ILE 68 -2.397 -0.371 27.166 532 1HG1 ILE 68 HG12 ILE 68 -3.974 -1.668 28.378 533 2HG1 ILE 68 HG11 ILE 68 -4.453 -2.555 26.937 534 1HG2 ILE 68 HG21 ILE 68 -4.845 -0.838 25.458 535 2HG2 ILE 68 HG22 ILE 68 -3.766 0.556 25.314 536 3HG2 ILE 68 HG23 ILE 68 -4.705 0.314 26.786 537 1HD1 ILE 68 HD11 ILE 68 -1.919 -3.310 26.892 538 2HD1 ILE 68 HD12 ILE 68 -3.047 -4.093 27.995 539 3HD1 ILE 68 HD13 ILE 68 -1.963 -2.836 28.589 540 H VAL 69 HN VAL 69 -3.128 -2.394 23.241 541 HA VAL 69 HA VAL 69 -2.489 0.163 21.869 542 HB VAL 69 HB VAL 69 -2.849 -1.835 19.922 543 1HG1 VAL 69 HG11 VAL 69 -1.169 -0.225 19.584 544 2HG1 VAL 69 HG12 VAL 69 -0.215 -1.652 19.990 545 3HG1 VAL 69 HG13 VAL 69 -0.519 -0.416 21.211 546 1HG2 VAL 69 HG21 VAL 69 -1.159 -3.542 20.743 547 2HG2 VAL 69 HG22 VAL 69 -2.728 -3.609 21.547 548 3HG2 VAL 69 HG23 VAL 69 -1.353 -2.857 22.356 549 H HIS 70 HN HIS 70 -4.053 0.629 20.025 550 HA HIS 70 HA HIS 70 -6.779 -0.387 20.671 551 1HB HIS 70 HB2 HIS 70 -6.418 2.033 21.217 552 2HB HIS 70 HB1 HIS 70 -6.009 2.325 19.526 553 HD1 HIS 70 HD1 HIS 70 -8.151 3.914 19.437 554 HD2 HIS 70 HD2 HIS 70 -8.967 -0.123 20.070 555 HE1 HIS 70 HE1 HIS 70 -10.624 3.605 18.982 556 H ILE 71 HN ILE 71 -7.231 -1.845 19.068 557 HA ILE 71 HA ILE 71 -6.174 -1.516 16.382 558 HB ILE 71 HB ILE 71 -6.567 -3.705 16.165 559 1HG1 ILE 71 HG12 ILE 71 -8.849 -4.556 17.259 560 2HG1 ILE 71 HG11 ILE 71 -9.267 -2.895 16.925 561 1HG2 ILE 71 HG21 ILE 71 -5.993 -3.221 18.740 562 2HG2 ILE 71 HG22 ILE 71 -6.204 -4.834 18.066 563 3HG2 ILE 71 HG23 ILE 71 -7.535 -4.061 18.913 564 1HD1 ILE 71 HD11 ILE 71 -9.719 -4.330 14.959 565 2HD1 ILE 71 HD12 ILE 71 -8.014 -4.808 14.959 566 3HD1 ILE 71 HD13 ILE 71 -8.460 -3.132 14.619 567 H VAL 72 HN VAL 72 -7.330 -0.881 14.574 568 HA VAL 72 HA VAL 72 -10.213 -0.259 14.950 569 HB VAL 72 HB VAL 72 -8.169 1.685 13.827 570 1HG1 VAL 72 HG11 VAL 72 -9.905 2.822 12.943 571 2HG1 VAL 72 HG12 VAL 72 -10.807 2.725 14.456 572 3HG1 VAL 72 HG13 VAL 72 -10.910 1.413 13.283 573 1HG2 VAL 72 HG21 VAL 72 -9.628 2.784 15.988 574 2HG2 VAL 72 HG22 VAL 72 -7.919 2.351 15.970 575 3HG2 VAL 72 HG23 VAL 72 -9.120 1.179 16.513 576 H GLN 73 HN GLN 73 -11.394 -0.845 13.167 577 HA GLN 73 HA GLN 73 -9.853 -1.670 10.747 578 1HB GLN 73 HB2 GLN 73 -11.155 -3.454 11.878 579 2HB GLN 73 HB1 GLN 73 -12.625 -2.507 11.646 580 1HG GLN 73 HG2 GLN 73 -11.930 -2.509 9.126 581 2HG GLN 73 HG1 GLN 73 -10.928 -3.886 9.585 582 1HE2 GLN 73 HE21 GLN 73 -12.696 -4.986 11.600 583 2HE2 GLN 73 HE22 GLN 73 -14.071 -5.585 10.805 584 H ARG 74 HN ARG 74 -10.001 -0.231 9.080 585 HA ARG 74 HA ARG 74 -11.630 2.031 8.940 586 1HB ARG 74 HB2 ARG 74 -10.251 0.341 6.897 587 2HB ARG 74 HB1 ARG 74 -11.411 1.538 6.321 588 1HG ARG 74 HG2 ARG 74 -9.978 2.962 8.204 589 2HG ARG 74 HG1 ARG 74 -8.741 1.932 7.482 590 1HD ARG 74 HD2 ARG 74 -9.219 2.744 5.281 591 2HD ARG 74 HD1 ARG 74 -10.694 3.542 5.826 592 HE ARG 74 HE ARG 74 -8.028 4.646 5.985 593 1HH1 ARG 74 HH11 ARG 74 -11.108 5.608 6.194 594 2HH1 ARG 74 HH12 ARG 74 -10.953 6.596 7.608 595 1HH2 ARG 74 HH21 ARG 74 -7.791 5.412 8.409 596 2HH2 ARG 74 HH22 ARG 74 -9.075 6.480 8.866 597 HA PRO 75 HA PRO 75 -15.541 -0.105 8.461 598 1HB PRO 75 HB2 PRO 75 -17.097 2.115 8.886 599 2HB PRO 75 HB1 PRO 75 -16.401 1.117 10.187 600 1HG PRO 75 HG2 PRO 75 -15.561 3.797 9.230 601 2HG PRO 75 HG1 PRO 75 -15.333 3.047 10.815 602 1HD PRO 75 HD2 PRO 75 -13.359 3.302 8.797 603 2HD PRO 75 HD1 PRO 75 -13.244 2.288 10.251 604 H ARG 76 HN ARG 76 -16.626 -0.452 6.551 605 HA ARG 76 HA ARG 76 -16.142 1.163 4.224 606 1HB ARG 76 HB2 ARG 76 -18.210 -0.930 4.943 607 2HB ARG 76 HB1 ARG 76 -18.309 -0.051 3.417 608 1HG ARG 76 HG2 ARG 76 -15.750 -1.402 4.268 609 2HG ARG 76 HG1 ARG 76 -17.017 -2.297 3.427 610 1HD ARG 76 HD2 ARG 76 -16.539 -1.316 1.444 611 2HD ARG 76 HD1 ARG 76 -16.429 0.285 2.175 612 HE ARG 76 HE ARG 76 -14.113 -1.105 2.970 613 1HH1 ARG 76 HH21 ARG 76 -14.395 1.468 1.265 614 2HH1 ARG 76 HH22 ARG 76 -13.483 1.009 -0.135 615 1HH2 ARG 76 HH11 ARG 76 -13.465 -2.366 0.658 616 2HH2 ARG 76 HH12 ARG 76 -12.958 -1.163 -0.479 617 H ARG 77 HN ARG 77 -18.088 2.447 3.171 618 HA ARG 77 HA ARG 77 -18.884 4.474 4.979 619 1HB ARG 77 HB2 ARG 77 -20.145 3.565 2.376 620 2HB ARG 77 HB1 ARG 77 -20.674 5.001 3.251 621 1HG ARG 77 HG2 ARG 77 -17.955 4.478 2.033 622 2HG ARG 77 HG1 ARG 77 -19.095 5.757 1.618 623 1HD ARG 77 HD2 ARG 77 -17.777 6.996 3.017 624 2HD ARG 77 HD1 ARG 77 -18.782 6.253 4.263 625 HE ARG 77 HE ARG 77 -16.469 4.624 3.582 626 1HH1 ARG 77 HH11 ARG 77 -18.036 5.633 6.209 627 2HH1 ARG 77 HH12 ARG 77 -16.670 6.235 7.089 628 1HH2 ARG 77 HH21 ARG 77 -14.527 6.114 4.364 629 2HH2 ARG 77 HH22 ARG 77 -14.681 6.504 6.045 630 H ARG 78 HN ARG 78 -19.744 3.515 6.904 631 HA ARG 78 HA ARG 78 -21.833 1.558 6.903 632 1HB ARG 78 HB2 ARG 78 -20.634 1.869 8.938 633 2HB ARG 78 HB1 ARG 78 -20.945 3.605 8.942 634 1HG ARG 78 HG2 ARG 78 -23.440 2.149 8.825 635 2HG ARG 78 HG1 ARG 78 -22.480 1.604 10.201 636 1HD ARG 78 HD2 ARG 78 -22.385 4.501 9.897 637 2HD ARG 78 HD1 ARG 78 -24.037 3.917 10.101 638 HE ARG 78 HE ARG 78 -21.947 3.876 12.133 639 1HH1 ARG 78 HH21 ARG 78 -24.801 4.347 12.783 640 2HH1 ARG 78 HH22 ARG 78 -25.282 2.843 13.496 641 1HH2 ARG 78 HH11 ARG 78 -22.565 1.081 12.258 642 2HH2 ARG 78 HH12 ARG 78 -24.018 0.996 13.199 Start of MODEL 9 1 1H MET 1 HT1 MET 1 13.875 -14.162 24.485 2 2H MET 1 HT2 MET 1 13.522 -12.605 25.067 3 3H MET 1 HT3 MET 1 13.062 -13.052 23.492 4 HA MET 1 HA MET 1 11.719 -14.897 24.671 5 1HB MET 1 HB2 MET 1 12.638 -13.119 26.851 6 2HB MET 1 HB1 MET 1 10.918 -13.506 26.877 7 1HG MET 1 HG2 MET 1 11.554 -15.941 26.627 8 2HG MET 1 HG1 MET 1 13.233 -15.459 26.871 9 1HE MET 1 HE1 MET 1 14.022 -14.103 28.435 10 2HE MET 1 HE2 MET 1 14.080 -15.017 29.941 11 3HE MET 1 HE3 MET 1 13.241 -13.470 29.891 12 H GLY 2 HN GLY 2 11.360 -11.434 25.515 13 1HA GLY 2 HA2 GLY 2 9.924 -9.825 24.519 14 2HA GLY 2 HA1 GLY 2 9.405 -11.053 23.358 15 H MET 3 HN MET 3 7.592 -9.337 24.684 16 HA MET 3 HA MET 3 6.178 -11.276 26.468 17 1HB MET 3 HB2 MET 3 7.117 -9.206 27.595 18 2HB MET 3 HB1 MET 3 5.980 -8.268 26.628 19 1HG MET 3 HG2 MET 3 4.201 -8.905 27.870 20 2HG MET 3 HG1 MET 3 4.776 -10.567 28.017 21 1HE MET 3 HE1 MET 3 6.761 -10.892 31.007 22 2HE MET 3 HE2 MET 3 7.657 -10.461 29.553 23 3HE MET 3 HE3 MET 3 6.222 -11.476 29.427 24 H ILE 4 HN ILE 4 3.803 -10.953 26.500 25 HA ILE 4 HA ILE 4 2.676 -10.857 23.831 26 HB ILE 4 HB ILE 4 1.846 -11.590 26.492 27 1HG1 ILE 4 HG12 ILE 4 -0.115 -12.380 24.683 28 2HG1 ILE 4 HG11 ILE 4 1.335 -12.256 23.686 29 1HG2 ILE 4 HG21 ILE 4 -0.030 -9.836 24.886 30 2HG2 ILE 4 HG22 ILE 4 0.646 -9.448 26.472 31 3HG2 ILE 4 HG23 ILE 4 -0.503 -10.781 26.298 32 1HD1 ILE 4 HD11 ILE 4 1.254 -13.727 26.323 33 2HD1 ILE 4 HD12 ILE 4 2.556 -13.729 25.134 34 3HD1 ILE 4 HD13 ILE 4 1.019 -14.511 24.760 35 H VAL 5 HN VAL 5 1.522 -9.172 22.873 36 HA VAL 5 HA VAL 5 1.571 -6.574 24.301 37 HB VAL 5 HB VAL 5 0.476 -6.428 21.636 38 1HG1 VAL 5 HG11 VAL 5 1.475 -4.545 22.800 39 2HG1 VAL 5 HG12 VAL 5 2.437 -4.881 21.362 40 3HG1 VAL 5 HG13 VAL 5 3.010 -5.399 22.948 41 1HG2 VAL 5 HG21 VAL 5 1.754 -8.465 21.167 42 2HG2 VAL 5 HG22 VAL 5 3.188 -7.773 21.922 43 3HG2 VAL 5 HG23 VAL 5 2.567 -7.092 20.419 44 H PHE 6 HN PHE 6 -0.423 -5.463 24.592 45 HA PHE 6 HA PHE 6 -2.752 -7.289 24.658 46 1HB PHE 6 HB2 PHE 6 -1.804 -5.416 26.433 47 2HB PHE 6 HB1 PHE 6 -3.088 -4.525 25.617 48 HD1 PHE 6 HD1 PHE 6 -2.764 -8.163 26.471 49 HD2 PHE 6 HD2 PHE 6 -4.950 -4.503 27.026 50 HE1 PHE 6 HE1 PHE 6 -4.466 -9.383 27.798 51 HE2 PHE 6 HE2 PHE 6 -6.650 -5.726 28.359 52 HZ PHE 6 HZ PHE 6 -6.408 -8.163 28.744 53 H VAL 7 HN VAL 7 -3.853 -7.313 22.705 54 HA VAL 7 HA VAL 7 -4.001 -4.792 21.154 55 HB VAL 7 HB VAL 7 -4.910 -7.627 20.566 56 1HG1 VAL 7 HG11 VAL 7 -5.174 -5.245 18.706 57 2HG1 VAL 7 HG12 VAL 7 -6.512 -5.816 19.702 58 3HG1 VAL 7 HG13 VAL 7 -5.810 -6.874 18.476 59 1HG2 VAL 7 HG21 VAL 7 -2.464 -6.957 20.358 60 2HG2 VAL 7 HG22 VAL 7 -2.962 -5.800 19.121 61 3HG2 VAL 7 HG23 VAL 7 -3.201 -7.528 18.857 62 H ARG 8 HN ARG 8 -5.591 -3.380 21.790 63 HA ARG 8 HA ARG 8 -8.054 -4.543 22.951 64 1HB ARG 8 HB2 ARG 8 -7.702 -1.594 22.518 65 2HB ARG 8 HB1 ARG 8 -8.515 -2.435 23.838 66 1HG ARG 8 HG2 ARG 8 -5.527 -2.656 23.461 67 2HG ARG 8 HG1 ARG 8 -6.235 -1.313 24.350 68 1HD ARG 8 HD2 ARG 8 -7.066 -4.109 25.038 69 2HD ARG 8 HD1 ARG 8 -5.505 -3.514 25.604 70 HE ARG 8 HE ARG 8 -6.675 -1.816 26.896 71 1HH1 ARG 8 HH11 ARG 8 -8.187 -4.655 26.941 72 2HH1 ARG 8 HH12 ARG 8 -9.807 -4.067 27.114 73 1HH2 ARG 8 HH21 ARG 8 -8.969 -0.781 26.376 74 2HH2 ARG 8 HH22 ARG 8 -10.252 -1.871 26.785 75 H PHE 9 HN PHE 9 -9.020 -5.452 21.178 76 HA PHE 9 HA PHE 9 -9.318 -4.097 18.643 77 1HB PHE 9 HB2 PHE 9 -9.843 -6.680 19.788 78 2HB PHE 9 HB1 PHE 9 -11.303 -6.102 18.995 79 HD1 PHE 9 HD1 PHE 9 -10.529 -5.007 16.361 80 HD2 PHE 9 HD2 PHE 9 -8.621 -8.027 18.685 81 HE1 PHE 9 HE1 PHE 9 -9.848 -6.154 14.320 82 HE2 PHE 9 HE2 PHE 9 -7.844 -9.138 16.638 83 HZ PHE 9 HZ PHE 9 -8.481 -8.199 14.431 84 H ASN 10 HN ASN 10 -11.058 -2.846 17.962 85 HA ASN 10 HA ASN 10 -12.627 -1.316 19.586 86 1HB ASN 10 HB2 ASN 10 -13.223 -2.541 16.905 87 2HB ASN 10 HB1 ASN 10 -14.455 -1.576 17.718 88 1HD2 ASN 10 HD21 ASN 10 -14.091 -0.040 15.826 89 2HD2 ASN 10 HD22 ASN 10 -12.810 1.069 15.931 90 H SER 11 HN SER 11 -14.669 -1.505 20.640 91 HA SER 11 HA SER 11 -16.519 -2.626 21.598 92 1HB SER 11 HB2 SER 11 -15.678 -5.181 20.246 93 2HB SER 11 HB1 SER 11 -17.298 -4.640 20.679 94 HG SER 11 HG SER 11 -16.689 -2.830 19.111 95 H SER 12 HN SER 12 -16.224 -5.585 22.258 96 HA SER 12 HA SER 12 -14.380 -5.182 24.561 97 1HB SER 12 HB2 SER 12 -16.693 -5.828 25.100 98 2HB SER 12 HB1 SER 12 -16.538 -7.257 24.082 99 HG SER 12 HG SER 12 -15.063 -6.627 26.428 100 H TYR 13 HN TYR 13 -14.244 -6.488 21.535 101 HA TYR 13 HA TYR 13 -12.982 -9.034 22.094 102 1HB TYR 13 HB2 TYR 13 -12.527 -7.449 19.576 103 2HB TYR 13 HB1 TYR 13 -12.663 -9.197 19.772 104 HD1 TYR 13 HD1 TYR 13 -15.094 -9.170 21.634 105 HD2 TYR 13 HD2 TYR 13 -14.267 -7.124 17.948 106 HE1 TYR 13 HE1 TYR 13 -17.527 -9.013 21.173 107 HE2 TYR 13 HE2 TYR 13 -16.697 -6.969 17.488 108 HH TYR 13 HH TYR 13 -19.088 -7.947 19.880 109 H GLY 14 HN GLY 14 -10.756 -9.545 22.038 110 1HA GLY 14 HA2 GLY 14 -8.715 -7.507 21.618 111 2HA GLY 14 HA1 GLY 14 -8.912 -7.928 23.321 112 H PHE 15 HN PHE 15 -6.477 -8.524 22.029 113 HA PHE 15 HA PHE 15 -6.512 -11.467 22.265 114 1HB PHE 15 HB2 PHE 15 -5.519 -10.068 19.771 115 2HB PHE 15 HB1 PHE 15 -5.301 -11.781 20.124 116 HD1 PHE 15 HD1 PHE 15 -7.309 -13.270 20.344 117 HD2 PHE 15 HD2 PHE 15 -7.566 -9.218 18.950 118 HE1 PHE 15 HE1 PHE 15 -9.558 -13.746 19.409 119 HE2 PHE 15 HE2 PHE 15 -9.827 -9.701 18.008 120 HZ PHE 15 HZ PHE 15 -10.814 -11.957 18.239 121 HA PRO 16 HA PRO 16 -2.542 -10.253 23.974 122 1HB PRO 16 HB2 PRO 16 -2.043 -12.701 25.131 123 2HB PRO 16 HB1 PRO 16 -3.118 -11.494 25.863 124 1HG PRO 16 HG2 PRO 16 -3.826 -14.034 24.475 125 2HG PRO 16 HG1 PRO 16 -4.738 -13.133 25.696 126 1HD PRO 16 HD2 PRO 16 -5.228 -13.132 22.895 127 2HD PRO 16 HD1 PRO 16 -5.951 -12.036 24.094 128 H VAL 17 HN VAL 17 -1.538 -10.168 21.845 129 HA VAL 17 HA VAL 17 -0.795 -12.671 20.496 130 HB VAL 17 HB VAL 17 -1.403 -10.772 19.124 131 1HG1 VAL 17 HG11 VAL 17 0.677 -8.922 19.531 132 2HG1 VAL 17 HG12 VAL 17 0.155 -9.392 21.152 133 3HG1 VAL 17 HG13 VAL 17 -1.012 -8.728 20.005 134 1HG2 VAL 17 HG21 VAL 17 1.572 -11.364 19.146 135 2HG2 VAL 17 HG22 VAL 17 0.793 -10.420 17.875 136 3HG2 VAL 17 HG23 VAL 17 0.339 -12.107 18.127 137 H GLU 18 HN GLU 18 1.336 -13.484 20.336 138 HA GLU 18 HA GLU 18 3.179 -12.461 22.411 139 1HB GLU 18 HB2 GLU 18 2.616 -15.029 21.371 140 2HB GLU 18 HB1 GLU 18 4.256 -14.645 20.847 141 1HG GLU 18 HG2 GLU 18 4.149 -13.753 23.493 142 2HG GLU 18 HG1 GLU 18 3.284 -15.289 23.514 143 H VAL 19 HN VAL 19 4.551 -10.849 21.786 144 HA VAL 19 HA VAL 19 5.897 -11.137 19.151 145 HB VAL 19 HB VAL 19 5.083 -9.226 18.243 146 1HG1 VAL 19 HG11 VAL 19 2.987 -10.215 18.879 147 2HG1 VAL 19 HG12 VAL 19 2.862 -8.490 19.216 148 3HG1 VAL 19 HG13 VAL 19 3.143 -9.628 20.534 149 1HG2 VAL 19 HG21 VAL 19 6.395 -7.835 19.771 150 2HG2 VAL 19 HG22 VAL 19 5.180 -8.039 21.035 151 3HG2 VAL 19 HG23 VAL 19 4.787 -7.135 19.572 152 H ASP 20 HN ASP 20 7.799 -9.715 18.989 153 HA ASP 20 HA ASP 20 8.971 -9.154 21.678 154 1HB ASP 20 HB2 ASP 20 10.359 -9.907 19.084 155 2HB ASP 20 HB1 ASP 20 11.172 -9.546 20.605 156 H SER 21 HN SER 21 10.947 -7.502 21.217 157 HA SER 21 HA SER 21 9.762 -4.998 20.533 158 1HB SER 21 HB2 SER 21 12.708 -5.710 20.553 159 2HB SER 21 HB1 SER 21 12.020 -4.097 20.724 160 HG SER 21 HG SER 21 12.444 -5.969 22.595 161 H ASP 22 HN ASP 22 10.694 -7.484 18.478 162 HA ASP 22 HA ASP 22 11.620 -5.760 16.286 163 1HB ASP 22 HB2 ASP 22 11.885 -8.519 16.981 164 2HB ASP 22 HB1 ASP 22 11.111 -8.420 15.400 165 H THR 23 HN THR 23 8.699 -7.614 17.163 166 HA THR 23 HA THR 23 7.321 -7.724 14.783 167 HB THR 23 HB THR 23 5.614 -6.566 16.849 168 HG1 THR 23 HG1 THR 23 7.141 -8.865 17.481 169 1HG2 THR 23 HG21 THR 23 5.594 -9.449 16.129 170 2HG2 THR 23 HG22 THR 23 5.294 -8.299 14.825 171 3HG2 THR 23 HG23 THR 23 4.251 -8.309 16.248 172 H SER 24 HN SER 24 7.111 -6.237 13.204 173 HA SER 24 HA SER 24 7.600 -3.450 13.545 174 1HB SER 24 HB2 SER 24 5.801 -4.491 11.365 175 2HB SER 24 HB1 SER 24 7.018 -3.213 11.279 176 HG SER 24 HG SER 24 8.604 -4.743 11.309 177 H ILE 25 HN ILE 25 4.849 -3.022 11.977 178 HA ILE 25 HA ILE 25 3.111 -2.982 14.371 179 HB ILE 25 HB ILE 25 3.779 -0.600 12.625 180 1HG1 ILE 25 HG12 ILE 25 5.408 -1.122 14.373 181 2HG1 ILE 25 HG11 ILE 25 4.525 0.347 14.789 182 1HG2 ILE 25 HG21 ILE 25 2.183 0.325 14.668 183 2HG2 ILE 25 HG22 ILE 25 1.408 -1.217 14.271 184 3HG2 ILE 25 HG23 ILE 25 1.641 0.012 13.016 185 1HD1 ILE 25 HD11 ILE 25 4.717 -2.116 16.290 186 2HD1 ILE 25 HD12 ILE 25 3.030 -1.830 15.843 187 3HD1 ILE 25 HD13 ILE 25 3.922 -0.605 16.743 188 H LEU 26 HN LEU 26 3.412 -2.842 10.810 189 HA LEU 26 HA LEU 26 0.488 -3.039 10.506 190 1HB LEU 26 HB2 LEU 26 1.450 -2.082 8.577 191 2HB LEU 26 HB1 LEU 26 2.818 -3.194 8.604 192 HG LEU 26 HG LEU 26 0.919 -3.575 6.869 193 1HD1 LEU 26 HD11 LEU 26 2.251 -5.380 6.709 194 2HD1 LEU 26 HD12 LEU 26 1.181 -6.180 7.864 195 3HD1 LEU 26 HD13 LEU 26 2.615 -5.316 8.436 196 1HD2 LEU 26 HD21 LEU 26 -0.601 -3.795 9.256 197 2HD2 LEU 26 HD22 LEU 26 -0.458 -5.426 8.614 198 3HD2 LEU 26 HD23 LEU 26 -1.139 -4.147 7.619 199 H GLN 27 HN GLN 27 3.401 -4.861 10.694 200 HA GLN 27 HA GLN 27 2.510 -7.490 10.142 201 1HB GLN 27 HB2 GLN 27 4.769 -6.141 11.255 202 2HB GLN 27 HB1 GLN 27 4.295 -7.398 12.408 203 1HG GLN 27 HG2 GLN 27 4.107 -8.867 10.192 204 2HG GLN 27 HG1 GLN 27 5.273 -7.685 9.594 205 1HE2 GLN 27 HE21 GLN 27 4.738 -9.858 12.426 206 2HE2 GLN 27 HE22 GLN 27 6.387 -10.164 12.687 207 H LEU 28 HN LEU 28 2.188 -5.259 12.796 208 HA LEU 28 HA LEU 28 1.058 -7.051 14.768 209 1HB LEU 28 HB2 LEU 28 1.925 -4.580 14.991 210 2HB LEU 28 HB1 LEU 28 0.294 -4.144 14.484 211 HG LEU 28 HG LEU 28 0.369 -4.211 16.906 212 1HD1 LEU 28 HD11 LEU 28 -0.974 -6.799 16.220 213 2HD1 LEU 28 HD12 LEU 28 -1.536 -5.324 15.423 214 3HD1 LEU 28 HD13 LEU 28 -1.573 -5.450 17.186 215 1HD2 LEU 28 HD21 LEU 28 1.011 -7.138 16.873 216 2HD2 LEU 28 HD22 LEU 28 1.323 -5.940 18.128 217 3HD2 LEU 28 HD23 LEU 28 2.336 -5.986 16.683 218 H LYS 29 HN LYS 29 -0.410 -4.820 12.402 219 HA LYS 29 HA LYS 29 -3.108 -5.578 12.965 220 1HB LYS 29 HB2 LYS 29 -1.834 -4.422 10.474 221 2HB LYS 29 HB1 LYS 29 -3.575 -4.604 10.690 222 1HG LYS 29 HG2 LYS 29 -3.559 -2.586 11.695 223 2HG LYS 29 HG1 LYS 29 -2.700 -3.359 13.052 224 1HD LYS 29 HD2 LYS 29 -0.567 -2.879 11.917 225 2HD LYS 29 HD1 LYS 29 -1.419 -2.089 10.603 226 1HE LYS 29 HE2 LYS 29 -2.414 -0.544 12.455 227 2HE LYS 29 HE1 LYS 29 -1.125 -1.184 13.473 228 1HZ LYS 29 HZ1 LYS 29 -0.829 0.266 10.904 229 2HZ LYS 29 HZ2 LYS 29 0.453 -0.532 11.684 230 3HZ LYS 29 HZ3 LYS 29 -0.324 0.777 12.441 231 H GLU 30 HN GLU 30 -0.570 -7.160 11.238 232 HA GLU 30 HA GLU 30 -2.304 -8.817 9.593 233 1HB GLU 30 HB2 GLU 30 0.632 -8.891 10.289 234 2HB GLU 30 HB1 GLU 30 -0.133 -10.190 9.369 235 1HG GLU 30 HG2 GLU 30 -0.918 -8.553 7.701 236 2HG GLU 30 HG1 GLU 30 -0.155 -7.253 8.615 237 H VAL 31 HN VAL 31 -0.383 -9.363 12.566 238 HA VAL 31 HA VAL 31 -1.256 -12.072 12.999 239 HB VAL 31 HB VAL 31 -0.323 -9.928 14.943 240 1HG1 VAL 31 HG11 VAL 31 0.199 -12.211 16.236 241 2HG1 VAL 31 HG12 VAL 31 -1.195 -12.765 15.307 242 3HG1 VAL 31 HG13 VAL 31 -1.355 -11.394 16.404 243 1HG2 VAL 31 HG21 VAL 31 1.006 -11.673 13.052 244 2HG2 VAL 31 HG22 VAL 31 1.519 -12.052 14.698 245 3HG2 VAL 31 HG23 VAL 31 1.698 -10.412 14.073 246 H VAL 32 HN VAL 32 -2.466 -8.941 14.156 247 HA VAL 32 HA VAL 32 -4.659 -10.027 15.667 248 HB VAL 32 HB VAL 32 -4.379 -7.346 14.258 249 1HG1 VAL 32 HG11 VAL 32 -6.699 -8.325 14.974 250 2HG1 VAL 32 HG12 VAL 32 -6.314 -6.643 15.394 251 3HG1 VAL 32 HG13 VAL 32 -6.169 -7.924 16.616 252 1HG2 VAL 32 HG21 VAL 32 -2.610 -7.634 15.900 253 2HG2 VAL 32 HG22 VAL 32 -3.764 -8.256 17.089 254 3HG2 VAL 32 HG23 VAL 32 -3.832 -6.564 16.598 255 H ALA 33 HN ALA 33 -4.128 -9.128 12.323 256 HA ALA 33 HA ALA 33 -6.817 -9.345 11.408 257 1HB ALA 33 HB1 ALA 33 -4.120 -9.682 10.070 258 2HB ALA 33 HB2 ALA 33 -5.257 -8.347 9.898 259 3HB ALA 33 HB3 ALA 33 -5.617 -9.916 9.172 260 H LYS 34 HN LYS 34 -4.419 -11.641 12.307 261 HA LYS 34 HA LYS 34 -5.427 -13.987 10.966 262 1HB LYS 34 HB2 LYS 34 -3.966 -13.949 13.624 263 2HB LYS 34 HB1 LYS 34 -3.930 -15.211 12.385 264 1HG LYS 34 HG2 LYS 34 -2.817 -12.430 12.161 265 2HG LYS 34 HG1 LYS 34 -1.874 -13.900 12.342 266 1HD LYS 34 HD2 LYS 34 -3.790 -13.522 10.038 267 2HD LYS 34 HD1 LYS 34 -2.113 -12.976 9.948 268 1HE LYS 34 HE2 LYS 34 -2.137 -15.640 11.004 269 2HE LYS 34 HE1 LYS 34 -3.124 -15.615 9.542 270 1HZ LYS 34 HZ1 LYS 34 -1.349 -15.238 8.259 271 2HZ LYS 34 HZ2 LYS 34 -0.441 -15.799 9.582 272 3HZ LYS 34 HZ3 LYS 34 -0.659 -14.131 9.343 273 H ARG 35 HN ARG 35 -5.738 -12.791 14.280 274 HA ARG 35 HA ARG 35 -7.448 -14.866 15.224 275 1HB ARG 35 HB2 ARG 35 -7.090 -12.021 16.177 276 2HB ARG 35 HB1 ARG 35 -8.010 -13.246 17.058 277 1HG ARG 35 HG2 ARG 35 -6.027 -13.757 18.033 278 2HG ARG 35 HG1 ARG 35 -5.647 -14.558 16.503 279 1HD ARG 35 HD2 ARG 35 -4.505 -12.679 15.668 280 2HD ARG 35 HD1 ARG 35 -5.188 -11.604 16.902 281 HE ARG 35 HE ARG 35 -2.750 -12.534 17.343 282 1HH1 ARG 35 HH11 ARG 35 -4.366 -15.241 17.702 283 2HH1 ARG 35 HH12 ARG 35 -4.300 -15.368 19.428 284 1HH2 ARG 35 HH21 ARG 35 -3.228 -12.106 19.896 285 2HH2 ARG 35 HH22 ARG 35 -3.652 -13.596 20.668 286 H GLN 36 HN GLN 36 -8.303 -11.774 13.667 287 HA GLN 36 HA GLN 36 -11.161 -12.495 14.110 288 1HB GLN 36 HB2 GLN 36 -9.856 -9.857 13.409 289 2HB GLN 36 HB1 GLN 36 -11.595 -10.098 13.647 290 1HG GLN 36 HG2 GLN 36 -10.548 -11.290 15.881 291 2HG GLN 36 HG1 GLN 36 -9.421 -9.963 15.618 292 1HE2 GLN 36 HE21 GLN 36 -12.994 -10.249 15.154 293 2HE2 GLN 36 HE22 GLN 36 -13.370 -8.879 16.083 294 H GLY 37 HN GLY 37 -8.852 -12.455 11.610 295 1HA GLY 37 HA2 GLY 37 -9.208 -13.140 9.361 296 2HA GLY 37 HA1 GLY 37 -10.945 -13.123 9.673 297 H VAL 38 HN VAL 38 -9.485 -10.283 10.738 298 HA VAL 38 HA VAL 38 -10.616 -8.775 8.435 299 HB VAL 38 HB VAL 38 -9.349 -7.030 10.315 300 1HG1 VAL 38 HG11 VAL 38 -11.581 -6.167 10.619 301 2HG1 VAL 38 HG12 VAL 38 -12.296 -7.688 10.076 302 3HG1 VAL 38 HG13 VAL 38 -11.433 -6.663 8.933 303 1HG2 VAL 38 HG21 VAL 38 -9.327 -8.680 12.028 304 2HG2 VAL 38 HG22 VAL 38 -10.915 -9.294 11.564 305 3HG2 VAL 38 HG23 VAL 38 -10.770 -7.716 12.341 306 HA PRO 39 HA PRO 39 -6.668 -8.379 6.657 307 1HB PRO 39 HB2 PRO 39 -7.161 -6.146 5.127 308 2HB PRO 39 HB1 PRO 39 -7.729 -7.774 4.717 309 1HG PRO 39 HG2 PRO 39 -9.282 -5.473 5.815 310 2HG PRO 39 HG1 PRO 39 -9.842 -6.832 4.830 311 1HD PRO 39 HD2 PRO 39 -10.187 -6.566 7.607 312 2HD PRO 39 HD1 PRO 39 -10.407 -8.059 6.670 313 H ALA 40 HN ALA 40 -4.881 -7.615 7.607 314 HA ALA 40 HA ALA 40 -4.669 -5.774 9.664 315 1HB ALA 40 HB1 ALA 40 -2.887 -7.311 8.499 316 2HB ALA 40 HB2 ALA 40 -2.373 -5.855 9.358 317 3HB ALA 40 HB3 ALA 40 -2.510 -5.837 7.596 318 H ASP 41 HN ASP 41 -5.105 -5.112 6.285 319 HA ASP 41 HA ASP 41 -4.126 -2.451 6.216 320 1HB ASP 41 HB2 ASP 41 -5.716 -4.176 4.519 321 2HB ASP 41 HB1 ASP 41 -6.375 -2.540 4.518 322 H GLN 42 HN GLN 42 -7.595 -3.400 6.366 323 HA GLN 42 HA GLN 42 -8.491 -0.823 7.248 324 1HB GLN 42 HB2 GLN 42 -9.639 -3.457 6.815 325 2HB GLN 42 HB1 GLN 42 -10.301 -2.712 8.269 326 1HG GLN 42 HG2 GLN 42 -10.602 -0.597 6.835 327 2HG GLN 42 HG1 GLN 42 -10.328 -1.645 5.445 328 1HE2 GLN 42 HE21 GLN 42 -12.858 -0.346 5.878 329 2HE2 GLN 42 HE22 GLN 42 -14.017 -1.540 6.214 330 H LEU 43 HN LEU 43 -7.646 -3.772 8.966 331 HA LEU 43 HA LEU 43 -8.220 -2.933 11.644 332 1HB LEU 43 HB2 LEU 43 -7.291 -5.206 10.360 333 2HB LEU 43 HB1 LEU 43 -5.868 -4.663 11.242 334 HG LEU 43 HG LEU 43 -7.303 -4.541 13.310 335 1HD1 LEU 43 HD11 LEU 43 -9.283 -6.422 12.373 336 2HD1 LEU 43 HD12 LEU 43 -9.367 -4.950 11.406 337 3HD1 LEU 43 HD13 LEU 43 -9.543 -4.867 13.162 338 1HD2 LEU 43 HD21 LEU 43 -6.299 -6.841 11.841 339 2HD2 LEU 43 HD22 LEU 43 -7.635 -7.301 12.910 340 3HD2 LEU 43 HD23 LEU 43 -6.212 -6.498 13.571 341 H ARG 44 HN ARG 44 -6.872 -1.712 13.109 342 HA ARG 44 HA ARG 44 -4.118 -1.232 12.280 343 1HB ARG 44 HB2 ARG 44 -6.140 0.718 11.663 344 2HB ARG 44 HB1 ARG 44 -4.890 1.392 12.720 345 1HG ARG 44 HG2 ARG 44 -3.458 1.459 10.978 346 2HG ARG 44 HG1 ARG 44 -3.587 -0.304 10.836 347 1HD ARG 44 HD2 ARG 44 -5.537 -0.076 9.393 348 2HD ARG 44 HD1 ARG 44 -5.516 1.678 9.583 349 HE ARG 44 HE ARG 44 -3.506 0.091 8.059 350 1HH1 ARG 44 HH21 ARG 44 -2.247 2.501 9.244 351 2HH1 ARG 44 HH22 ARG 44 -2.524 3.707 8.031 352 1HH2 ARG 44 HH11 ARG 44 -5.002 1.898 6.416 353 2HH2 ARG 44 HH12 ARG 44 -4.088 3.369 6.436 354 H VAL 45 HN VAL 45 -2.993 -1.509 13.953 355 HA VAL 45 HA VAL 45 -4.028 -1.100 16.654 356 HB VAL 45 HB VAL 45 -1.216 -1.914 15.934 357 1HG1 VAL 45 HG11 VAL 45 -1.200 -2.741 18.065 358 2HG1 VAL 45 HG12 VAL 45 -2.873 -3.298 17.969 359 3HG1 VAL 45 HG13 VAL 45 -2.524 -1.601 18.287 360 1HG2 VAL 45 HG21 VAL 45 -2.812 -4.231 16.187 361 2HG2 VAL 45 HG22 VAL 45 -2.000 -3.650 14.733 362 3HG2 VAL 45 HG23 VAL 45 -3.669 -3.188 15.057 363 H ILE 46 HN ILE 46 -3.699 0.758 17.745 364 HA ILE 46 HA ILE 46 -1.294 2.390 17.073 365 HB ILE 46 HB ILE 46 -4.087 3.401 17.696 366 1HG1 ILE 46 HG12 ILE 46 -2.695 4.017 15.139 367 2HG1 ILE 46 HG11 ILE 46 -3.209 2.333 15.331 368 1HG2 ILE 46 HG21 ILE 46 -1.573 4.919 16.911 369 2HG2 ILE 46 HG22 ILE 46 -2.224 4.846 18.549 370 3HG2 ILE 46 HG23 ILE 46 -3.151 5.620 17.263 371 1HD1 ILE 46 HD11 ILE 46 -4.830 4.778 14.969 372 2HD1 ILE 46 HD12 ILE 46 -5.408 3.709 16.247 373 3HD1 ILE 46 HD13 ILE 46 -5.226 3.098 14.602 374 H PHE 47 HN PHE 47 -0.026 2.504 18.838 375 HA PHE 47 HA PHE 47 -1.055 1.659 21.454 376 1HB PHE 47 HB2 PHE 47 1.040 0.799 21.002 377 2HB PHE 47 HB1 PHE 47 1.622 2.316 20.304 378 HD1 PHE 47 HD1 PHE 47 2.108 4.270 21.747 379 HD2 PHE 47 HD2 PHE 47 1.000 0.437 23.344 380 HE1 PHE 47 HE1 PHE 47 3.001 4.943 23.975 381 HE2 PHE 47 HE2 PHE 47 1.885 1.109 25.577 382 HZ PHE 47 HZ PHE 47 2.883 3.361 25.888 383 H ALA 48 HN ALA 48 -1.623 2.948 23.076 384 HA ALA 48 HA ALA 48 -1.937 4.841 24.402 385 1HB ALA 48 HB1 ALA 48 0.001 6.342 24.617 386 2HB ALA 48 HB2 ALA 48 0.718 5.610 23.181 387 3HB ALA 48 HB3 ALA 48 0.493 4.649 24.645 388 H GLY 49 HN GLY 49 -2.339 4.989 21.209 389 1HA GLY 49 HA2 GLY 49 -3.865 6.599 20.237 390 2HA GLY 49 HA1 GLY 49 -3.293 7.790 21.401 391 H LYS 50 HN LYS 50 -0.526 6.289 20.260 392 HA LYS 50 HA LYS 50 -0.143 8.553 18.373 393 1HB LYS 50 HB2 LYS 50 1.708 6.656 19.802 394 2HB LYS 50 HB1 LYS 50 2.274 7.547 18.389 395 1HG LYS 50 HG2 LYS 50 2.831 8.956 20.200 396 2HG LYS 50 HG1 LYS 50 1.327 9.641 19.582 397 1HD LYS 50 HD2 LYS 50 0.064 8.357 21.292 398 2HD LYS 50 HD1 LYS 50 1.588 7.750 21.937 399 1HE LYS 50 HE2 LYS 50 1.878 9.632 23.134 400 2HE LYS 50 HE1 LYS 50 1.730 10.616 21.678 401 1HZ LYS 50 HZ1 LYS 50 -0.168 11.327 22.555 402 2HZ LYS 50 HZ2 LYS 50 -0.195 10.103 23.733 403 3HZ LYS 50 HZ3 LYS 50 -0.816 9.804 22.181 404 H GLU 51 HN GLU 51 -0.557 8.166 16.259 405 HA GLU 51 HA GLU 51 -0.955 5.514 15.209 406 1HB GLU 51 HB2 GLU 51 -1.966 7.630 14.255 407 2HB GLU 51 HB1 GLU 51 -0.368 8.030 13.620 408 1HG GLU 51 HG2 GLU 51 -0.438 5.647 12.578 409 2HG GLU 51 HG1 GLU 51 -2.175 5.738 12.868 410 H LEU 52 HN LEU 52 0.811 4.182 15.305 411 HA LEU 52 HA LEU 52 3.485 5.212 14.690 412 1HB LEU 52 HB2 LEU 52 2.910 2.286 14.965 413 2HB LEU 52 HB1 LEU 52 4.289 3.212 15.545 414 HG LEU 52 HG LEU 52 1.502 3.203 16.694 415 1HD1 LEU 52 HD11 LEU 52 3.177 2.695 18.740 416 2HD1 LEU 52 HD12 LEU 52 4.142 2.036 17.419 417 3HD1 LEU 52 HD13 LEU 52 2.518 1.414 17.720 418 1HD2 LEU 52 HD21 LEU 52 3.923 4.911 17.354 419 2HD2 LEU 52 HD22 LEU 52 2.471 4.818 18.353 420 3HD2 LEU 52 HD23 LEU 52 2.381 5.488 16.723 421 HA PRO 53 HA PRO 53 3.186 4.208 10.394 422 1HB PRO 53 HB2 PRO 53 5.886 4.320 9.855 423 2HB PRO 53 HB1 PRO 53 4.838 5.743 9.967 424 1HG PRO 53 HG2 PRO 53 6.788 4.678 11.982 425 2HG PRO 53 HG1 PRO 53 6.318 6.356 11.654 426 1HD PRO 53 HD2 PRO 53 5.354 4.889 13.812 427 2HD PRO 53 HD1 PRO 53 4.500 6.263 13.087 428 H ASN 54 HN ASN 54 3.126 2.246 9.419 429 HA ASN 54 HA ASN 54 3.601 -0.153 10.770 430 1HB ASN 54 HB2 ASN 54 3.886 -0.016 7.772 431 2HB ASN 54 HB1 ASN 54 3.113 -1.250 8.757 432 1HD2 ASN 54 HD21 ASN 54 2.294 1.037 6.593 433 2HD2 ASN 54 HD22 ASN 54 0.791 1.533 7.208 434 H HIS 55 HN HIS 55 6.067 1.864 9.414 435 HA HIS 55 HA HIS 55 7.861 -0.478 9.056 436 1HB HIS 55 HB2 HIS 55 9.445 1.207 8.098 437 2HB HIS 55 HB1 HIS 55 7.896 1.153 7.255 438 HD1 HIS 55 HD1 HIS 55 7.911 3.620 6.517 439 HD2 HIS 55 HD2 HIS 55 8.274 3.141 10.644 440 HE1 HIS 55 HE1 HIS 55 7.625 5.921 7.534 441 H LEU 56 HN LEU 56 7.073 0.535 11.800 442 HA LEU 56 HA LEU 56 9.850 1.147 12.727 443 1HB LEU 56 HB2 LEU 56 8.914 2.212 14.691 444 2HB LEU 56 HB1 LEU 56 8.172 2.934 13.259 445 HG LEU 56 HG LEU 56 6.621 0.686 13.849 446 1HD1 LEU 56 HD11 LEU 56 7.939 1.236 16.172 447 2HD1 LEU 56 HD12 LEU 56 6.317 0.551 16.112 448 3HD1 LEU 56 HD13 LEU 56 6.533 2.286 16.339 449 1HD2 LEU 56 HD21 LEU 56 5.897 3.436 14.771 450 2HD2 LEU 56 HD22 LEU 56 4.909 2.263 13.899 451 3HD2 LEU 56 HD23 LEU 56 6.178 3.157 13.055 452 H THR 57 HN THR 57 10.331 0.154 14.918 453 HA THR 57 HA THR 57 9.293 -2.606 14.875 454 HB THR 57 HB THR 57 11.126 -2.630 16.867 455 HG1 THR 57 HG1 THR 57 12.308 -0.877 15.048 456 1HG2 THR 57 HG21 THR 57 12.048 -4.031 15.369 457 2HG2 THR 57 HG22 THR 57 12.491 -2.680 14.322 458 3HG2 THR 57 HG23 THR 57 10.896 -3.428 14.172 459 H VAL 58 HN VAL 58 8.989 -3.618 17.117 460 HA VAL 58 HA VAL 58 6.767 -2.377 18.370 461 HB VAL 58 HB VAL 58 8.558 -4.705 19.033 462 1HG1 VAL 58 HG11 VAL 58 6.403 -4.853 20.796 463 2HG1 VAL 58 HG12 VAL 58 6.925 -3.176 20.926 464 3HG1 VAL 58 HG13 VAL 58 8.068 -4.480 21.235 465 1HG2 VAL 58 HG21 VAL 58 5.825 -5.361 19.015 466 2HG2 VAL 58 HG22 VAL 58 6.986 -5.638 17.713 467 3HG2 VAL 58 HG23 VAL 58 6.007 -4.164 17.726 468 H GLN 59 HN GLN 59 10.201 -2.410 19.295 469 HA GLN 59 HA GLN 59 9.626 -0.821 21.723 470 1HB GLN 59 HB2 GLN 59 11.934 -2.242 20.548 471 2HB GLN 59 HB1 GLN 59 12.321 -0.797 21.476 472 1HG GLN 59 HG2 GLN 59 10.576 -1.892 23.186 473 2HG GLN 59 HG1 GLN 59 11.130 -3.370 22.399 474 1HE2 GLN 59 HE21 GLN 59 13.850 -2.200 21.858 475 2HE2 GLN 59 HE22 GLN 59 14.647 -2.205 23.356 476 H ASN 60 HN ASN 60 9.325 0.099 18.795 477 HA ASN 60 HA ASN 60 11.291 2.300 18.654 478 1HB ASN 60 HB2 ASN 60 9.707 0.898 16.751 479 2HB ASN 60 HB1 ASN 60 9.219 2.591 16.695 480 1HD2 ASN 60 HD21 ASN 60 12.429 1.029 17.283 481 2HD2 ASN 60 HD22 ASN 60 13.230 1.892 16.060 482 H CYS 61 HN CYS 61 7.720 2.199 18.442 483 HA CYS 61 HA CYS 61 7.479 4.988 19.187 484 1HB CYS 61 HB2 CYS 61 5.712 3.969 17.867 485 2HB CYS 61 HB1 CYS 61 5.451 2.734 19.099 486 HG CYS 61 HG CYS 61 3.890 4.316 20.182 487 H ASP 62 HN ASP 62 8.008 2.089 20.864 488 HA ASP 62 HA ASP 62 8.690 2.096 23.186 489 1HB ASP 62 HB2 ASP 62 8.016 4.594 23.297 490 2HB ASP 62 HB1 ASP 62 6.431 3.997 23.786 491 H LEU 63 HN LEU 63 6.779 0.553 21.523 492 HA LEU 63 HA LEU 63 4.429 -0.007 23.174 493 1HB LEU 63 HB2 LEU 63 5.830 -1.718 21.115 494 2HB LEU 63 HB1 LEU 63 4.258 -2.073 21.831 495 HG LEU 63 HG LEU 63 4.374 0.659 20.894 496 1HD1 LEU 63 HD11 LEU 63 4.313 -1.029 18.529 497 2HD1 LEU 63 HD12 LEU 63 5.866 -1.098 19.361 498 3HD1 LEU 63 HD13 LEU 63 5.222 0.453 18.831 499 1HD2 LEU 63 HD21 LEU 63 2.306 -0.030 19.781 500 2HD2 LEU 63 HD22 LEU 63 2.348 -0.682 21.422 501 3HD2 LEU 63 HD23 LEU 63 2.706 -1.728 20.046 502 H GLU 64 HN GLU 64 7.335 -1.932 22.482 503 HA GLU 64 HA GLU 64 8.592 -3.396 23.809 504 1HB GLU 64 HB2 GLU 64 8.498 -1.032 25.084 505 2HB GLU 64 HB1 GLU 64 7.716 -2.039 26.302 506 1HG GLU 64 HG2 GLU 64 9.646 -3.633 26.135 507 2HG GLU 64 HG1 GLU 64 10.444 -2.483 25.061 508 H GLN 65 HN GLN 65 8.501 -5.022 25.535 509 HA GLN 65 HA GLN 65 6.440 -6.818 25.475 510 1HB GLN 65 HB2 GLN 65 7.088 -7.353 27.932 511 2HB GLN 65 HB1 GLN 65 8.348 -7.490 26.700 512 1HG GLN 65 HG2 GLN 65 8.668 -4.899 27.365 513 2HG GLN 65 HG1 GLN 65 8.007 -5.490 28.886 514 1HE2 GLN 65 HE21 GLN 65 10.427 -6.637 26.451 515 2HE2 GLN 65 HE22 GLN 65 11.565 -7.135 27.608 516 H GLN 66 HN GLN 66 4.286 -6.697 25.933 517 HA GLN 66 HA GLN 66 2.321 -6.142 27.093 518 1HB GLN 66 HB2 GLN 66 4.357 -5.852 29.040 519 2HB GLN 66 HB1 GLN 66 3.407 -4.366 29.110 520 1HG GLN 66 HG2 GLN 66 1.330 -5.753 29.230 521 2HG GLN 66 HG1 GLN 66 2.339 -7.199 29.303 522 1HE2 GLN 66 HE21 GLN 66 4.432 -5.744 30.929 523 2HE2 GLN 66 HE22 GLN 66 3.780 -5.633 32.492 524 H SER 67 HN SER 67 1.311 -4.753 25.742 525 HA SER 67 HA SER 67 1.744 -1.851 26.049 526 1HB SER 67 HB2 SER 67 2.928 -3.334 23.871 527 2HB SER 67 HB1 SER 67 1.692 -2.243 23.249 528 HG SER 67 HG SER 67 2.767 -0.543 24.074 529 H ILE 68 HN ILE 68 -0.357 -1.162 26.271 530 HA ILE 68 HA ILE 68 -2.476 -2.778 25.097 531 HB ILE 68 HB ILE 68 -2.241 -0.500 27.000 532 1HG1 ILE 68 HG12 ILE 68 -3.558 -1.923 28.380 533 2HG1 ILE 68 HG11 ILE 68 -4.093 -2.883 27.001 534 1HG2 ILE 68 HG21 ILE 68 -4.774 -1.200 25.518 535 2HG2 ILE 68 HG22 ILE 68 -3.838 0.282 25.299 536 3HG2 ILE 68 HG23 ILE 68 -4.631 -0.041 26.841 537 1HD1 ILE 68 HD11 ILE 68 -1.682 -3.568 26.646 538 2HD1 ILE 68 HD12 ILE 68 -2.386 -4.149 28.154 539 3HD1 ILE 68 HD13 ILE 68 -1.299 -2.759 28.165 540 H VAL 69 HN VAL 69 -3.072 -2.452 23.082 541 HA VAL 69 HA VAL 69 -2.459 0.142 21.778 542 HB VAL 69 HB VAL 69 -3.002 -1.995 19.912 543 1HG1 VAL 69 HG11 VAL 69 -1.653 -0.006 19.412 544 2HG1 VAL 69 HG12 VAL 69 -0.631 -1.434 19.254 545 3HG1 VAL 69 HG13 VAL 69 -0.514 -0.421 20.691 546 1HG2 VAL 69 HG21 VAL 69 -1.129 -2.604 22.202 547 2HG2 VAL 69 HG22 VAL 69 -0.846 -3.278 20.598 548 3HG2 VAL 69 HG23 VAL 69 -2.342 -3.645 21.457 549 H HIS 70 HN HIS 70 -4.033 0.622 19.927 550 HA HIS 70 HA HIS 70 -6.775 -0.305 20.637 551 1HB HIS 70 HB2 HIS 70 -6.000 2.191 21.081 552 2HB HIS 70 HB1 HIS 70 -6.281 2.366 19.348 553 HD1 HIS 70 HD1 HIS 70 -8.249 4.003 20.552 554 HD2 HIS 70 HD2 HIS 70 -8.825 -0.126 20.603 555 HE1 HIS 70 HE1 HIS 70 -10.719 3.630 20.970 556 H ILE 71 HN ILE 71 -7.233 -1.731 19.006 557 HA ILE 71 HA ILE 71 -6.261 -1.337 16.308 558 HB ILE 71 HB ILE 71 -6.753 -3.492 16.020 559 1HG1 ILE 71 HG12 ILE 71 -9.055 -4.229 17.121 560 2HG1 ILE 71 HG11 ILE 71 -9.398 -2.579 16.666 561 1HG2 ILE 71 HG21 ILE 71 -5.918 -3.559 18.356 562 2HG2 ILE 71 HG22 ILE 71 -7.049 -4.869 17.966 563 3HG2 ILE 71 HG23 ILE 71 -7.597 -3.487 18.900 564 1HD1 ILE 71 HD11 ILE 71 -9.823 -4.017 14.744 565 2HD1 ILE 71 HD12 ILE 71 -8.209 -4.738 14.910 566 3HD1 ILE 71 HD13 ILE 71 -8.381 -3.038 14.434 567 H VAL 72 HN VAL 72 -7.483 -0.697 14.518 568 HA VAL 72 HA VAL 72 -10.301 0.080 15.012 569 HB VAL 72 HB VAL 72 -9.182 2.131 15.534 570 1HG1 VAL 72 HG11 VAL 72 -7.030 2.277 14.849 571 2HG1 VAL 72 HG12 VAL 72 -7.675 2.867 13.317 572 3HG1 VAL 72 HG13 VAL 72 -7.298 1.155 13.515 573 1HG2 VAL 72 HG21 VAL 72 -9.855 3.588 13.630 574 2HG2 VAL 72 HG22 VAL 72 -11.091 2.389 14.011 575 3HG2 VAL 72 HG23 VAL 72 -10.034 2.154 12.620 576 H GLN 73 HN GLN 73 -11.519 -0.480 13.268 577 HA GLN 73 HA GLN 73 -10.080 -1.062 10.719 578 1HB GLN 73 HB2 GLN 73 -11.247 -3.008 11.675 579 2HB GLN 73 HB1 GLN 73 -12.752 -2.087 11.721 580 1HG GLN 73 HG2 GLN 73 -11.820 -1.806 9.092 581 2HG GLN 73 HG1 GLN 73 -11.537 -3.500 9.495 582 1HE2 GLN 73 HE21 GLN 73 -13.684 -4.132 11.145 583 2HE2 GLN 73 HE22 GLN 73 -15.150 -3.906 10.320 584 H ARG 74 HN ARG 74 -10.362 0.476 9.186 585 HA ARG 74 HA ARG 74 -11.848 2.766 9.232 586 1HB ARG 74 HB2 ARG 74 -11.551 0.981 6.799 587 2HB ARG 74 HB1 ARG 74 -11.932 2.700 6.767 588 1HG ARG 74 HG2 ARG 74 -9.598 2.262 8.404 589 2HG ARG 74 HG1 ARG 74 -9.362 1.521 6.819 590 1HD ARG 74 HD2 ARG 74 -8.899 3.576 6.022 591 2HD ARG 74 HD1 ARG 74 -10.595 3.980 6.283 592 HE ARG 74 HE ARG 74 -8.375 4.614 8.163 593 1HH1 ARG 74 HH21 ARG 74 -10.453 6.399 6.579 594 2HH1 ARG 74 HH22 ARG 74 -11.400 6.969 7.913 595 1HH2 ARG 74 HH11 ARG 74 -10.100 4.669 10.161 596 2HH2 ARG 74 HH12 ARG 74 -11.199 5.990 9.942 597 HA PRO 75 HA PRO 75 -15.881 0.767 9.582 598 1HB PRO 75 HB2 PRO 75 -17.014 2.844 10.971 599 2HB PRO 75 HB1 PRO 75 -16.088 1.527 11.731 600 1HG PRO 75 HG2 PRO 75 -15.281 4.338 11.231 601 2HG PRO 75 HG1 PRO 75 -14.698 3.203 12.453 602 1HD PRO 75 HD2 PRO 75 -13.356 3.909 10.061 603 2HD PRO 75 HD1 PRO 75 -12.938 2.559 11.137 604 H ARG 76 HN ARG 76 -17.593 1.028 8.155 605 HA ARG 76 HA ARG 76 -17.521 3.097 6.163 606 1HB ARG 76 HB2 ARG 76 -20.063 1.679 6.982 607 2HB ARG 76 HB1 ARG 76 -19.558 2.182 5.368 608 1HG ARG 76 HG2 ARG 76 -17.532 0.456 6.108 609 2HG ARG 76 HG1 ARG 76 -18.957 -0.299 6.827 610 1HD ARG 76 HD2 ARG 76 -18.600 0.492 3.921 611 2HD ARG 76 HD1 ARG 76 -18.693 -1.147 4.565 612 HE ARG 76 HE ARG 76 -20.960 0.681 4.164 613 1HH1 ARG 76 HH21 ARG 76 -21.033 -0.556 6.948 614 2HH1 ARG 76 HH22 ARG 76 -21.976 -1.980 6.657 615 1HH2 ARG 76 HH11 ARG 76 -21.607 -1.840 3.213 616 2HH2 ARG 76 HH12 ARG 76 -22.299 -2.708 4.543 617 H ARG 77 HN ARG 77 -19.484 4.769 6.064 618 HA ARG 77 HA ARG 77 -19.311 6.441 8.327 619 1HB ARG 77 HB2 ARG 77 -20.882 6.344 5.891 620 2HB ARG 77 HB1 ARG 77 -21.872 6.898 7.243 621 1HG ARG 77 HG2 ARG 77 -20.049 8.538 7.811 622 2HG ARG 77 HG1 ARG 77 -19.230 8.062 6.324 623 1HD ARG 77 HD2 ARG 77 -21.150 8.771 4.993 624 2HD ARG 77 HD1 ARG 77 -22.053 9.159 6.458 625 HE ARG 77 HE ARG 77 -20.061 10.844 5.212 626 1HH1 ARG 77 HH11 ARG 77 -22.442 11.044 7.393 627 2HH1 ARG 77 HH12 ARG 77 -21.585 11.946 8.597 628 1HH2 ARG 77 HH21 ARG 77 -18.486 11.490 7.110 629 2HH2 ARG 77 HH22 ARG 77 -19.344 12.200 8.437 630 H ARG 78 HN ARG 78 -19.603 5.188 10.254 631 HA ARG 78 HA ARG 78 -20.831 4.123 11.948 632 1HB ARG 78 HB2 ARG 78 -23.004 5.795 10.653 633 2HB ARG 78 HB1 ARG 78 -23.167 4.984 12.213 634 1HG ARG 78 HG2 ARG 78 -20.809 6.285 12.587 635 2HG ARG 78 HG1 ARG 78 -21.624 7.410 11.499 636 1HD ARG 78 HD2 ARG 78 -22.391 8.150 13.571 637 2HD ARG 78 HD1 ARG 78 -23.671 7.030 13.111 638 HE ARG 78 HE ARG 78 -22.322 5.322 14.527 639 1HH1 ARG 78 HH21 ARG 78 -21.032 8.357 14.956 640 2HH1 ARG 78 HH22 ARG 78 -21.273 8.427 16.670 641 1HH2 ARG 78 HH11 ARG 78 -23.215 5.557 16.784 642 2HH2 ARG 78 HH12 ARG 78 -22.505 6.841 17.705 Start of MODEL 10 1 1H MET 1 HT1 MET 1 14.218 -13.734 25.672 2 2H MET 1 HT2 MET 1 13.969 -12.625 24.408 3 3H MET 1 HT3 MET 1 14.224 -14.270 24.064 4 HA MET 1 HA MET 1 12.044 -14.566 24.058 5 1HB MET 1 HB2 MET 1 12.375 -13.716 26.949 6 2HB MET 1 HB1 MET 1 10.892 -14.411 26.296 7 1HG MET 1 HG2 MET 1 11.896 -16.500 25.899 8 2HG MET 1 HG1 MET 1 13.526 -15.827 25.932 9 1HE MET 1 HE1 MET 1 11.725 -18.301 27.627 10 2HE MET 1 HE2 MET 1 10.476 -17.068 27.774 11 3HE MET 1 HE3 MET 1 11.218 -17.736 29.225 12 H GLY 2 HN GLY 2 9.840 -13.362 25.033 13 1HA GLY 2 HA2 GLY 2 10.030 -10.436 24.894 14 2HA GLY 2 HA1 GLY 2 9.265 -11.178 23.484 15 H MET 3 HN MET 3 7.546 -9.643 24.687 16 HA MET 3 HA MET 3 5.963 -11.462 26.446 17 1HB MET 3 HB2 MET 3 7.060 -9.380 27.521 18 2HB MET 3 HB1 MET 3 5.821 -8.467 26.662 19 1HG MET 3 HG2 MET 3 4.238 -9.080 28.139 20 2HG MET 3 HG1 MET 3 4.683 -10.781 28.005 21 1HE MET 3 HE1 MET 3 4.845 -11.878 29.759 22 2HE MET 3 HE2 MET 3 4.139 -10.857 31.009 23 3HE MET 3 HE3 MET 3 5.720 -11.592 31.269 24 H ILE 4 HN ILE 4 3.647 -10.893 26.491 25 HA ILE 4 HA ILE 4 2.530 -10.732 23.804 26 HB ILE 4 HB ILE 4 1.712 -11.526 26.445 27 1HG1 ILE 4 HG12 ILE 4 -0.315 -12.212 24.726 28 2HG1 ILE 4 HG11 ILE 4 1.027 -11.991 23.611 29 1HG2 ILE 4 HG21 ILE 4 -0.587 -10.585 26.368 30 2HG2 ILE 4 HG22 ILE 4 -0.124 -9.624 24.964 31 3HG2 ILE 4 HG23 ILE 4 0.633 -9.315 26.532 32 1HD1 ILE 4 HD11 ILE 4 0.569 -14.293 25.002 33 2HD1 ILE 4 HD12 ILE 4 1.711 -13.469 26.066 34 3HD1 ILE 4 HD13 ILE 4 2.149 -13.801 24.390 35 H VAL 5 HN VAL 5 1.275 -9.031 22.976 36 HA VAL 5 HA VAL 5 1.448 -6.469 24.476 37 HB VAL 5 HB VAL 5 0.458 -6.188 21.780 38 1HG1 VAL 5 HG11 VAL 5 2.620 -5.111 23.522 39 2HG1 VAL 5 HG12 VAL 5 1.380 -4.252 22.607 40 3HG1 VAL 5 HG13 VAL 5 2.806 -4.884 21.784 41 1HG2 VAL 5 HG21 VAL 5 3.153 -7.551 22.108 42 2HG2 VAL 5 HG22 VAL 5 2.580 -6.811 20.610 43 3HG2 VAL 5 HG23 VAL 5 1.748 -8.214 21.278 44 H PHE 6 HN PHE 6 -0.511 -5.395 24.839 45 HA PHE 6 HA PHE 6 -2.879 -7.135 24.780 46 1HB PHE 6 HB2 PHE 6 -2.001 -5.410 26.637 47 2HB PHE 6 HB1 PHE 6 -3.038 -4.314 25.720 48 HD1 PHE 6 HD1 PHE 6 -5.110 -4.067 26.756 49 HD2 PHE 6 HD2 PHE 6 -3.286 -7.955 26.607 50 HE1 PHE 6 HE1 PHE 6 -7.122 -5.053 27.823 51 HE2 PHE 6 HE2 PHE 6 -5.296 -8.939 27.677 52 HZ PHE 6 HZ PHE 6 -7.213 -7.489 28.284 53 H VAL 7 HN VAL 7 -3.898 -7.172 22.786 54 HA VAL 7 HA VAL 7 -4.043 -4.665 21.218 55 HB VAL 7 HB VAL 7 -4.977 -7.494 20.637 56 1HG1 VAL 7 HG11 VAL 7 -5.701 -6.713 18.471 57 2HG1 VAL 7 HG12 VAL 7 -5.067 -5.096 18.780 58 3HG1 VAL 7 HG13 VAL 7 -6.474 -5.677 19.674 59 1HG2 VAL 7 HG21 VAL 7 -3.054 -6.017 18.911 60 2HG2 VAL 7 HG22 VAL 7 -3.058 -7.713 19.394 61 3HG2 VAL 7 HG23 VAL 7 -2.459 -6.481 20.506 62 H ARG 8 HN ARG 8 -5.699 -3.275 21.721 63 HA ARG 8 HA ARG 8 -8.158 -4.461 22.882 64 1HB ARG 8 HB2 ARG 8 -7.931 -1.515 22.455 65 2HB ARG 8 HB1 ARG 8 -8.648 -2.396 23.800 66 1HG ARG 8 HG2 ARG 8 -5.682 -2.585 23.424 67 2HG ARG 8 HG1 ARG 8 -6.342 -1.092 24.073 68 1HD ARG 8 HD2 ARG 8 -6.777 -3.870 25.205 69 2HD ARG 8 HD1 ARG 8 -5.757 -2.608 25.896 70 HE ARG 8 HE ARG 8 -8.532 -1.775 25.538 71 1HH1 ARG 8 HH21 ARG 8 -6.369 -1.163 27.713 72 2HH1 ARG 8 HH22 ARG 8 -7.159 -1.824 29.104 73 1HH2 ARG 8 HH11 ARG 8 -9.498 -3.600 27.254 74 2HH2 ARG 8 HH12 ARG 8 -8.933 -3.213 28.844 75 H PHE 9 HN PHE 9 -9.177 -5.340 21.147 76 HA PHE 9 HA PHE 9 -9.526 -3.943 18.612 77 1HB PHE 9 HB2 PHE 9 -10.022 -6.565 19.757 78 2HB PHE 9 HB1 PHE 9 -11.433 -5.993 18.884 79 HD1 PHE 9 HD1 PHE 9 -8.682 -7.888 18.717 80 HD2 PHE 9 HD2 PHE 9 -10.536 -4.904 16.311 81 HE1 PHE 9 HE1 PHE 9 -7.790 -8.983 16.703 82 HE2 PHE 9 HE2 PHE 9 -9.713 -6.005 14.313 83 HZ PHE 9 HZ PHE 9 -8.327 -8.029 14.471 84 H ASN 10 HN ASN 10 -11.387 -2.769 18.010 85 HA ASN 10 HA ASN 10 -12.940 -1.366 19.794 86 1HB ASN 10 HB2 ASN 10 -13.867 -2.543 17.155 87 2HB ASN 10 HB1 ASN 10 -14.730 -1.286 18.041 88 1HD2 ASN 10 HD21 ASN 10 -13.165 -1.307 15.362 89 2HD2 ASN 10 HD22 ASN 10 -12.134 0.034 15.493 90 H SER 11 HN SER 11 -15.064 -1.678 20.749 91 HA SER 11 HA SER 11 -16.801 -2.943 21.722 92 1HB SER 11 HB2 SER 11 -16.511 -4.153 19.323 93 2HB SER 11 HB1 SER 11 -15.993 -5.468 20.373 94 HG SER 11 HG SER 11 -18.205 -4.161 21.295 95 H SER 12 HN SER 12 -16.534 -5.831 22.299 96 HA SER 12 HA SER 12 -14.672 -5.577 24.586 97 1HB SER 12 HB2 SER 12 -17.158 -6.716 24.331 98 2HB SER 12 HB1 SER 12 -16.101 -8.120 24.211 99 HG SER 12 HG SER 12 -16.023 -7.947 26.305 100 H TYR 13 HN TYR 13 -14.339 -6.451 21.460 101 HA TYR 13 HA TYR 13 -12.940 -8.973 21.675 102 1HB TYR 13 HB2 TYR 13 -12.948 -6.837 19.526 103 2HB TYR 13 HB1 TYR 13 -12.170 -8.412 19.351 104 HD1 TYR 13 HD1 TYR 13 -14.156 -7.840 17.384 105 HD2 TYR 13 HD2 TYR 13 -14.734 -9.256 21.402 106 HE1 TYR 13 HE1 TYR 13 -16.332 -8.831 16.726 107 HE2 TYR 13 HE2 TYR 13 -16.905 -10.247 20.740 108 HH TYR 13 HH TYR 13 -18.034 -11.024 18.720 109 H GLY 14 HN GLY 14 -10.657 -9.312 21.463 110 1HA GLY 14 HA2 GLY 14 -8.664 -7.291 21.384 111 2HA GLY 14 HA1 GLY 14 -9.009 -7.639 23.081 112 H PHE 15 HN PHE 15 -6.511 -8.280 21.603 113 HA PHE 15 HA PHE 15 -6.527 -11.193 22.192 114 1HB PHE 15 HB2 PHE 15 -5.459 -10.010 19.616 115 2HB PHE 15 HB1 PHE 15 -5.309 -11.697 20.110 116 HD1 PHE 15 HD1 PHE 15 -7.174 -13.208 20.008 117 HD2 PHE 15 HD2 PHE 15 -7.657 -9.045 19.076 118 HE1 PHE 15 HE1 PHE 15 -9.424 -13.688 19.083 119 HE2 PHE 15 HE2 PHE 15 -9.919 -9.530 18.142 120 HZ PHE 15 HZ PHE 15 -10.796 -11.846 18.148 121 HA PRO 16 HA PRO 16 -2.591 -9.874 23.880 122 1HB PRO 16 HB2 PRO 16 -2.093 -12.263 25.158 123 2HB PRO 16 HB1 PRO 16 -3.174 -11.025 25.819 124 1HG PRO 16 HG2 PRO 16 -3.863 -13.631 24.557 125 2HG PRO 16 HG1 PRO 16 -4.787 -12.669 25.722 126 1HD PRO 16 HD2 PRO 16 -5.250 -12.813 22.920 127 2HD PRO 16 HD1 PRO 16 -5.987 -11.658 24.053 128 H VAL 17 HN VAL 17 -1.723 -9.874 21.692 129 HA VAL 17 HA VAL 17 -0.937 -12.350 20.373 130 HB VAL 17 HB VAL 17 -1.530 -10.383 19.071 131 1HG1 VAL 17 HG11 VAL 17 0.224 -9.150 21.048 132 2HG1 VAL 17 HG12 VAL 17 -1.000 -8.397 20.022 133 3HG1 VAL 17 HG13 VAL 17 0.634 -8.644 19.405 134 1HG2 VAL 17 HG21 VAL 17 0.159 -11.880 18.105 135 2HG2 VAL 17 HG22 VAL 17 1.438 -11.018 18.960 136 3HG2 VAL 17 HG23 VAL 17 0.534 -10.210 17.678 137 H GLU 18 HN GLU 18 1.214 -13.089 20.034 138 HA GLU 18 HA GLU 18 3.124 -12.203 22.131 139 1HB GLU 18 HB2 GLU 18 2.785 -14.609 21.980 140 2HB GLU 18 HB1 GLU 18 3.117 -14.585 20.250 141 1HG GLU 18 HG2 GLU 18 5.336 -13.333 21.409 142 2HG GLU 18 HG1 GLU 18 4.985 -14.696 22.472 143 H VAL 19 HN VAL 19 4.470 -10.565 21.490 144 HA VAL 19 HA VAL 19 5.644 -10.763 18.745 145 HB VAL 19 HB VAL 19 4.924 -8.742 18.075 146 1HG1 VAL 19 HG11 VAL 19 2.791 -7.998 19.195 147 2HG1 VAL 19 HG12 VAL 19 3.092 -9.210 20.441 148 3HG1 VAL 19 HG13 VAL 19 2.819 -9.709 18.772 149 1HG2 VAL 19 HG21 VAL 19 5.519 -7.919 20.912 150 2HG2 VAL 19 HG22 VAL 19 4.653 -6.830 19.830 151 3HG2 VAL 19 HG23 VAL 19 6.281 -7.371 19.415 152 H ASP 20 HN ASP 20 7.675 -9.589 18.558 153 HA ASP 20 HA ASP 20 9.076 -9.456 21.185 154 1HB ASP 20 HB2 ASP 20 10.173 -9.696 18.364 155 2HB ASP 20 HB1 ASP 20 11.152 -9.650 19.830 156 H SER 21 HN SER 21 10.999 -7.748 21.007 157 HA SER 21 HA SER 21 9.766 -5.155 20.774 158 1HB SER 21 HB2 SER 21 12.730 -5.743 20.812 159 2HB SER 21 HB1 SER 21 11.923 -4.275 21.356 160 HG SER 21 HG SER 21 10.796 -5.789 22.860 161 H ASP 22 HN ASP 22 10.803 -7.235 18.389 162 HA ASP 22 HA ASP 22 11.569 -5.006 16.574 163 1HB ASP 22 HB2 ASP 22 12.083 -7.981 16.285 164 2HB ASP 22 HB1 ASP 22 12.628 -6.728 15.170 165 H THR 23 HN THR 23 8.971 -7.119 17.284 166 HA THR 23 HA THR 23 7.986 -7.689 14.679 167 HB THR 23 HB THR 23 6.915 -7.583 17.431 168 HG1 THR 23 HG1 THR 23 7.421 -9.332 15.489 169 1HG2 THR 23 HG21 THR 23 4.585 -7.890 16.470 170 2HG2 THR 23 HG22 THR 23 5.222 -7.178 14.984 171 3HG2 THR 23 HG23 THR 23 5.223 -6.246 16.481 172 H SER 24 HN SER 24 7.329 -6.322 13.132 173 HA SER 24 HA SER 24 7.551 -3.532 13.370 174 1HB SER 24 HB2 SER 24 5.567 -4.350 11.371 175 2HB SER 24 HB1 SER 24 7.111 -3.533 11.157 176 HG SER 24 HG SER 24 8.130 -5.470 11.141 177 H ILE 25 HN ILE 25 4.964 -2.801 12.101 178 HA ILE 25 HA ILE 25 3.185 -2.874 14.491 179 HB ILE 25 HB ILE 25 3.795 -0.544 12.632 180 1HG1 ILE 25 HG12 ILE 25 5.516 -0.752 14.256 181 2HG1 ILE 25 HG11 ILE 25 4.440 0.506 14.863 182 1HG2 ILE 25 HG21 ILE 25 2.260 0.444 14.718 183 2HG2 ILE 25 HG22 ILE 25 1.476 -1.104 14.358 184 3HG2 ILE 25 HG23 ILE 25 1.682 0.104 13.084 185 1HD1 ILE 25 HD11 ILE 25 4.463 -0.725 16.784 186 2HD1 ILE 25 HD12 ILE 25 4.991 -2.190 15.957 187 3HD1 ILE 25 HD13 ILE 25 3.286 -1.732 15.940 188 H LEU 26 HN LEU 26 3.538 -2.792 10.953 189 HA LEU 26 HA LEU 26 0.644 -3.065 10.572 190 1HB LEU 26 HB2 LEU 26 1.681 -2.067 8.691 191 2HB LEU 26 HB1 LEU 26 3.025 -3.207 8.725 192 HG LEU 26 HG LEU 26 1.142 -3.526 6.959 193 1HD1 LEU 26 HD11 LEU 26 1.360 -6.140 7.949 194 2HD1 LEU 26 HD12 LEU 26 2.800 -5.296 8.525 195 3HD1 LEU 26 HD13 LEU 26 2.434 -5.354 6.794 196 1HD2 LEU 26 HD21 LEU 26 -0.291 -5.359 8.724 197 2HD2 LEU 26 HD22 LEU 26 -0.940 -4.114 7.665 198 3HD2 LEU 26 HD23 LEU 26 -0.439 -3.698 9.294 199 H GLN 27 HN GLN 27 3.592 -4.794 10.937 200 HA GLN 27 HA GLN 27 2.796 -7.463 10.375 201 1HB GLN 27 HB2 GLN 27 4.903 -5.996 11.805 202 2HB GLN 27 HB1 GLN 27 4.507 -7.523 12.611 203 1HG GLN 27 HG2 GLN 27 4.616 -8.486 10.145 204 2HG GLN 27 HG1 GLN 27 5.614 -7.060 9.858 205 1HE2 GLN 27 HE21 GLN 27 5.317 -9.598 12.417 206 2HE2 GLN 27 HE22 GLN 27 6.990 -9.828 12.584 207 H LEU 28 HN LEU 28 2.333 -5.182 12.970 208 HA LEU 28 HA LEU 28 1.126 -6.946 14.936 209 1HB LEU 28 HB2 LEU 28 1.984 -4.455 15.119 210 2HB LEU 28 HB1 LEU 28 0.358 -4.053 14.569 211 HG LEU 28 HG LEU 28 0.361 -4.051 16.981 212 1HD1 LEU 28 HD11 LEU 28 -0.879 -6.700 16.335 213 2HD1 LEU 28 HD12 LEU 28 -1.473 -5.260 15.497 214 3HD1 LEU 28 HD13 LEU 28 -1.542 -5.355 17.262 215 1HD2 LEU 28 HD21 LEU 28 2.340 -5.914 16.740 216 2HD2 LEU 28 HD22 LEU 28 0.981 -6.931 17.232 217 3HD2 LEU 28 HD23 LEU 28 1.486 -5.577 18.246 218 H LYS 29 HN LYS 29 -0.278 -4.723 12.521 219 HA LYS 29 HA LYS 29 -2.983 -5.456 13.011 220 1HB LYS 29 HB2 LYS 29 -1.633 -4.351 10.539 221 2HB LYS 29 HB1 LYS 29 -3.381 -4.513 10.709 222 1HG LYS 29 HG2 LYS 29 -3.386 -2.502 11.716 223 2HG LYS 29 HG1 LYS 29 -2.527 -3.257 13.082 224 1HD LYS 29 HD2 LYS 29 -0.396 -2.802 11.899 225 2HD LYS 29 HD1 LYS 29 -1.272 -1.970 10.628 226 1HE LYS 29 HE2 LYS 29 -2.204 -0.460 12.523 227 2HE LYS 29 HE1 LYS 29 -0.929 -1.153 13.521 228 1HZ LYS 29 HZ1 LYS 29 -0.036 0.781 12.574 229 2HZ LYS 29 HZ2 LYS 29 -0.643 0.417 11.030 230 3HZ LYS 29 HZ3 LYS 29 0.634 -0.496 11.680 231 H GLU 30 HN GLU 30 -0.444 -7.110 11.322 232 HA GLU 30 HA GLU 30 -2.218 -8.755 9.712 233 1HB GLU 30 HB2 GLU 30 0.716 -8.821 10.360 234 2HB GLU 30 HB1 GLU 30 -0.054 -10.210 9.588 235 1HG GLU 30 HG2 GLU 30 -1.062 -8.402 7.975 236 2HG GLU 30 HG1 GLU 30 0.283 -7.422 8.547 237 H VAL 31 HN VAL 31 -0.268 -9.329 12.667 238 HA VAL 31 HA VAL 31 -1.187 -12.002 13.141 239 HB VAL 31 HB VAL 31 -0.231 -9.855 15.071 240 1HG1 VAL 31 HG11 VAL 31 -1.195 -12.641 15.461 241 2HG1 VAL 31 HG12 VAL 31 -1.155 -11.294 16.600 242 3HG1 VAL 31 HG13 VAL 31 0.309 -12.226 16.284 243 1HG2 VAL 31 HG21 VAL 31 1.059 -11.758 13.236 244 2HG2 VAL 31 HG22 VAL 31 1.668 -11.858 14.887 245 3HG2 VAL 31 HG23 VAL 31 1.724 -10.324 14.017 246 H VAL 32 HN VAL 32 -2.368 -8.865 14.362 247 HA VAL 32 HA VAL 32 -4.585 -9.945 15.840 248 HB VAL 32 HB VAL 32 -4.248 -7.254 14.455 249 1HG1 VAL 32 HG11 VAL 32 -6.609 -8.214 15.110 250 2HG1 VAL 32 HG12 VAL 32 -6.222 -6.525 15.493 251 3HG1 VAL 32 HG13 VAL 32 -6.127 -7.775 16.756 252 1HG2 VAL 32 HG21 VAL 32 -2.552 -7.478 16.127 253 2HG2 VAL 32 HG22 VAL 32 -3.673 -8.258 17.253 254 3HG2 VAL 32 HG23 VAL 32 -3.846 -6.542 16.885 255 H ALA 33 HN ALA 33 -4.093 -8.928 12.510 256 HA ALA 33 HA ALA 33 -6.758 -9.166 11.572 257 1HB ALA 33 HB1 ALA 33 -5.392 -9.868 9.374 258 2HB ALA 33 HB2 ALA 33 -4.026 -9.303 10.333 259 3HB ALA 33 HB3 ALA 33 -5.357 -8.207 9.968 260 H LYS 34 HN LYS 34 -4.326 -11.498 12.370 261 HA LYS 34 HA LYS 34 -5.373 -13.804 11.011 262 1HB LYS 34 HB2 LYS 34 -3.918 -13.865 13.668 263 2HB LYS 34 HB1 LYS 34 -3.875 -15.071 12.373 264 1HG LYS 34 HG2 LYS 34 -2.735 -12.297 12.323 265 2HG LYS 34 HG1 LYS 34 -1.820 -13.792 12.362 266 1HD LYS 34 HD2 LYS 34 -3.699 -13.824 10.160 267 2HD LYS 34 HD1 LYS 34 -2.667 -12.395 10.063 268 1HE LYS 34 HE2 LYS 34 -1.252 -13.877 9.026 269 2HE LYS 34 HE1 LYS 34 -0.797 -14.227 10.694 270 1HZ LYS 34 HZ1 LYS 34 -2.905 -15.679 9.191 271 2HZ LYS 34 HZ2 LYS 34 -2.315 -16.056 10.739 272 3HZ LYS 34 HZ3 LYS 34 -1.312 -16.228 9.379 273 H ARG 35 HN ARG 35 -5.622 -12.762 14.388 274 HA ARG 35 HA ARG 35 -7.351 -14.814 15.286 275 1HB ARG 35 HB2 ARG 35 -7.046 -11.962 16.241 276 2HB ARG 35 HB1 ARG 35 -7.958 -13.203 17.107 277 1HG ARG 35 HG2 ARG 35 -5.976 -13.656 18.114 278 2HG ARG 35 HG1 ARG 35 -5.578 -14.482 16.602 279 1HD ARG 35 HD2 ARG 35 -4.385 -12.665 15.765 280 2HD ARG 35 HD1 ARG 35 -5.181 -11.515 16.855 281 HE ARG 35 HE ARG 35 -3.014 -11.953 17.895 282 1HH1 ARG 35 HH11 ARG 35 -3.415 -14.940 16.772 283 2HH1 ARG 35 HH12 ARG 35 -3.330 -15.783 18.283 284 1HH2 ARG 35 HH21 ARG 35 -3.633 -12.913 20.202 285 2HH2 ARG 35 HH22 ARG 35 -3.451 -14.634 20.225 286 H GLN 36 HN GLN 36 -8.168 -11.743 13.716 287 HA GLN 36 HA GLN 36 -11.042 -12.398 14.107 288 1HB GLN 36 HB2 GLN 36 -9.613 -9.848 13.324 289 2HB GLN 36 HB1 GLN 36 -11.376 -10.004 13.450 290 1HG GLN 36 HG2 GLN 36 -10.454 -11.129 15.809 291 2HG GLN 36 HG1 GLN 36 -9.358 -9.779 15.547 292 1HE2 GLN 36 HE21 GLN 36 -12.900 -10.305 15.052 293 2HE2 GLN 36 HE22 GLN 36 -13.371 -8.876 15.838 294 H GLY 37 HN GLY 37 -8.687 -12.720 11.720 295 1HA GLY 37 HA2 GLY 37 -8.920 -13.425 9.480 296 2HA GLY 37 HA1 GLY 37 -10.662 -13.501 9.750 297 H VAL 38 HN VAL 38 -9.226 -10.542 10.611 298 HA VAL 38 HA VAL 38 -10.415 -9.265 8.189 299 HB VAL 38 HB VAL 38 -11.313 -7.923 9.781 300 1HG1 VAL 38 HG11 VAL 38 -10.692 -9.629 11.496 301 2HG1 VAL 38 HG12 VAL 38 -10.668 -7.979 12.123 302 3HG1 VAL 38 HG13 VAL 38 -9.156 -8.794 11.721 303 1HG2 VAL 38 HG21 VAL 38 -9.146 -6.661 8.926 304 2HG2 VAL 38 HG22 VAL 38 -8.616 -6.894 10.588 305 3HG2 VAL 38 HG23 VAL 38 -10.101 -6.005 10.249 306 HA PRO 39 HA PRO 39 -6.495 -8.392 6.575 307 1HB PRO 39 HB2 PRO 39 -7.142 -6.128 5.151 308 2HB PRO 39 HB1 PRO 39 -7.564 -7.775 4.649 309 1HG PRO 39 HG2 PRO 39 -9.318 -5.673 5.856 310 2HG PRO 39 HG1 PRO 39 -9.742 -6.988 4.752 311 1HD PRO 39 HD2 PRO 39 -10.222 -6.988 7.502 312 2HD PRO 39 HD1 PRO 39 -10.206 -8.427 6.464 313 H ALA 40 HN ALA 40 -4.756 -7.537 7.522 314 HA ALA 40 HA ALA 40 -4.656 -5.697 9.637 315 1HB ALA 40 HB1 ALA 40 -2.359 -5.758 9.389 316 2HB ALA 40 HB2 ALA 40 -2.449 -5.735 7.626 317 3HB ALA 40 HB3 ALA 40 -2.825 -7.221 8.515 318 H ASP 41 HN ASP 41 -5.051 -5.115 6.249 319 HA ASP 41 HA ASP 41 -4.087 -2.464 6.065 320 1HB ASP 41 HB2 ASP 41 -6.174 -4.033 4.586 321 2HB ASP 41 HB1 ASP 41 -6.025 -2.304 4.277 322 H GLN 42 HN GLN 42 -7.520 -3.443 6.484 323 HA GLN 42 HA GLN 42 -8.347 -0.786 7.261 324 1HB GLN 42 HB2 GLN 42 -9.760 -3.356 7.989 325 2HB GLN 42 HB1 GLN 42 -10.472 -1.765 7.717 326 1HG GLN 42 HG2 GLN 42 -9.570 -1.936 5.327 327 2HG GLN 42 HG1 GLN 42 -9.273 -3.642 5.673 328 1HE2 GLN 42 HE21 GLN 42 -11.854 -1.190 5.441 329 2HE2 GLN 42 HE22 GLN 42 -13.124 -2.301 5.269 330 H LEU 43 HN LEU 43 -7.495 -3.721 9.009 331 HA LEU 43 HA LEU 43 -8.019 -2.817 11.674 332 1HB LEU 43 HB2 LEU 43 -7.113 -5.123 10.450 333 2HB LEU 43 HB1 LEU 43 -5.679 -4.557 11.302 334 HG LEU 43 HG LEU 43 -7.158 -4.309 13.360 335 1HD1 LEU 43 HD11 LEU 43 -9.041 -6.324 12.561 336 2HD1 LEU 43 HD12 LEU 43 -9.135 -4.987 11.417 337 3HD1 LEU 43 HD13 LEU 43 -9.384 -4.694 13.138 338 1HD2 LEU 43 HD21 LEU 43 -6.070 -6.678 12.036 339 2HD2 LEU 43 HD22 LEU 43 -7.354 -7.086 13.187 340 3HD2 LEU 43 HD23 LEU 43 -5.938 -6.182 13.726 341 H ARG 44 HN ARG 44 -6.665 -1.634 13.119 342 HA ARG 44 HA ARG 44 -3.912 -1.135 12.309 343 1HB ARG 44 HB2 ARG 44 -5.963 0.850 11.763 344 2HB ARG 44 HB1 ARG 44 -4.597 1.478 12.698 345 1HG ARG 44 HG2 ARG 44 -3.373 1.505 10.803 346 2HG ARG 44 HG1 ARG 44 -3.484 -0.265 10.778 347 1HD ARG 44 HD2 ARG 44 -4.915 -0.227 9.046 348 2HD ARG 44 HD1 ARG 44 -5.945 0.967 9.834 349 HE ARG 44 HE ARG 44 -4.732 2.705 8.711 350 1HH1 ARG 44 HH11 ARG 44 -3.013 -0.254 8.565 351 2HH1 ARG 44 HH12 ARG 44 -2.194 0.130 7.089 352 1HH2 ARG 44 HH21 ARG 44 -3.852 3.142 6.639 353 2HH2 ARG 44 HH22 ARG 44 -2.673 2.048 5.996 354 H VAL 45 HN VAL 45 -2.823 -1.421 14.000 355 HA VAL 45 HA VAL 45 -3.922 -1.035 16.681 356 HB VAL 45 HB VAL 45 -1.110 -1.869 15.990 357 1HG1 VAL 45 HG11 VAL 45 -2.709 -3.313 17.989 358 2HG1 VAL 45 HG12 VAL 45 -2.529 -1.594 18.332 359 3HG1 VAL 45 HG13 VAL 45 -1.099 -2.607 18.132 360 1HG2 VAL 45 HG21 VAL 45 -1.902 -3.592 14.782 361 2HG2 VAL 45 HG22 VAL 45 -3.566 -3.086 15.070 362 3HG2 VAL 45 HG23 VAL 45 -2.762 -4.156 16.213 363 H ILE 46 HN ILE 46 -3.575 0.782 17.829 364 HA ILE 46 HA ILE 46 -1.126 2.375 17.252 365 HB ILE 46 HB ILE 46 -3.919 3.447 17.749 366 1HG1 ILE 46 HG12 ILE 46 -2.392 4.118 15.297 367 2HG1 ILE 46 HG11 ILE 46 -2.877 2.417 15.414 368 1HG2 ILE 46 HG21 ILE 46 -1.837 5.289 16.806 369 2HG2 ILE 46 HG22 ILE 46 -1.485 4.632 18.404 370 3HG2 ILE 46 HG23 ILE 46 -2.996 5.492 18.121 371 1HD1 ILE 46 HD11 ILE 46 -4.520 4.810 14.943 372 2HD1 ILE 46 HD12 ILE 46 -5.149 3.792 16.238 373 3HD1 ILE 46 HD13 ILE 46 -4.887 3.115 14.630 374 H PHE 47 HN PHE 47 0.070 2.360 19.039 375 HA PHE 47 HA PHE 47 -1.027 1.503 21.612 376 1HB PHE 47 HB2 PHE 47 1.044 0.607 21.243 377 2HB PHE 47 HB1 PHE 47 1.658 2.071 20.462 378 HD1 PHE 47 HD1 PHE 47 1.044 0.354 23.580 379 HD2 PHE 47 HD2 PHE 47 2.199 4.085 21.809 380 HE1 PHE 47 HE1 PHE 47 1.976 1.098 25.774 381 HE2 PHE 47 HE2 PHE 47 3.147 4.834 23.991 382 HZ PHE 47 HZ PHE 47 3.026 3.341 25.971 383 H ALA 48 HN ALA 48 -1.567 2.762 23.289 384 HA ALA 48 HA ALA 48 -1.786 4.640 24.674 385 1HB ALA 48 HB1 ALA 48 0.143 6.206 24.708 386 2HB ALA 48 HB2 ALA 48 0.789 5.399 23.280 387 3HB ALA 48 HB3 ALA 48 0.647 4.518 24.800 388 H GLY 49 HN GLY 49 -2.429 4.678 21.567 389 1HA GLY 49 HA2 GLY 49 -3.843 6.194 20.405 390 2HA GLY 49 HA1 GLY 49 -3.565 7.378 21.680 391 H LYS 50 HN LYS 50 -0.655 5.979 20.554 392 HA LYS 50 HA LYS 50 -0.054 8.512 19.142 393 1HB LYS 50 HB2 LYS 50 1.925 6.292 19.622 394 2HB LYS 50 HB1 LYS 50 2.216 8.028 19.506 395 1HG LYS 50 HG2 LYS 50 0.432 7.770 21.643 396 2HG LYS 50 HG1 LYS 50 1.560 6.429 21.849 397 1HD LYS 50 HD2 LYS 50 3.369 7.816 22.178 398 2HD LYS 50 HD1 LYS 50 2.714 9.089 21.147 399 1HE LYS 50 HE2 LYS 50 1.691 10.113 22.886 400 2HE LYS 50 HE1 LYS 50 1.067 8.590 23.519 401 1HZ LYS 50 HZ1 LYS 50 3.084 10.071 24.599 402 2HZ LYS 50 HZ2 LYS 50 3.904 8.813 23.803 403 3HZ LYS 50 HZ3 LYS 50 2.724 8.455 24.972 404 H GLU 51 HN GLU 51 -0.197 8.565 16.981 405 HA GLU 51 HA GLU 51 -0.928 6.316 15.404 406 1HB GLU 51 HB2 GLU 51 -0.890 9.021 15.021 407 2HB GLU 51 HB1 GLU 51 0.440 8.508 13.982 408 1HG GLU 51 HG2 GLU 51 -1.190 8.073 12.461 409 2HG GLU 51 HG1 GLU 51 -1.461 6.615 13.416 410 H LEU 52 HN LEU 52 0.423 4.579 15.200 411 HA LEU 52 HA LEU 52 3.329 5.068 14.815 412 1HB LEU 52 HB2 LEU 52 2.099 2.330 14.885 413 2HB LEU 52 HB1 LEU 52 3.696 2.841 15.413 414 HG LEU 52 HG LEU 52 1.057 3.280 16.779 415 1HD1 LEU 52 HD11 LEU 52 3.325 1.509 17.114 416 2HD1 LEU 52 HD12 LEU 52 1.764 1.481 17.936 417 3HD1 LEU 52 HD13 LEU 52 3.075 2.480 18.565 418 1HD2 LEU 52 HD21 LEU 52 3.724 4.642 17.238 419 2HD2 LEU 52 HD22 LEU 52 2.453 4.606 18.459 420 3HD2 LEU 52 HD23 LEU 52 2.177 5.417 16.921 421 HA PRO 53 HA PRO 53 2.927 4.189 10.518 422 1HB PRO 53 HB2 PRO 53 5.556 3.548 10.034 423 2HB PRO 53 HB1 PRO 53 4.989 5.215 10.245 424 1HG PRO 53 HG2 PRO 53 6.518 3.499 12.140 425 2HG PRO 53 HG1 PRO 53 6.476 5.265 12.011 426 1HD PRO 53 HD2 PRO 53 5.101 3.712 13.938 427 2HD PRO 53 HD1 PRO 53 4.803 5.426 13.578 428 H ASN 54 HN ASN 54 4.335 2.151 9.172 429 HA ASN 54 HA ASN 54 3.439 -0.242 10.732 430 1HB ASN 54 HB2 ASN 54 3.472 -1.204 8.248 431 2HB ASN 54 HB1 ASN 54 2.089 -0.284 8.845 432 1HD2 ASN 54 HD21 ASN 54 2.148 2.139 8.344 433 2HD2 ASN 54 HD22 ASN 54 2.883 2.635 6.897 434 H HIS 55 HN HIS 55 6.015 1.171 8.793 435 HA HIS 55 HA HIS 55 7.611 -1.275 8.771 436 1HB HIS 55 HB2 HIS 55 9.273 0.012 7.625 437 2HB HIS 55 HB1 HIS 55 7.711 0.542 7.002 438 HD1 HIS 55 HD1 HIS 55 6.927 2.924 7.603 439 HD2 HIS 55 HD2 HIS 55 10.593 1.920 9.318 440 HE1 HIS 55 HE1 HIS 55 7.893 5.071 8.536 441 H LEU 56 HN LEU 56 6.922 0.852 11.244 442 HA LEU 56 HA LEU 56 9.629 1.014 12.356 443 1HB LEU 56 HB2 LEU 56 6.911 1.915 13.195 444 2HB LEU 56 HB1 LEU 56 8.111 1.667 14.465 445 HG LEU 56 HG LEU 56 8.383 3.464 12.038 446 1HD1 LEU 56 HD11 LEU 56 7.745 5.133 13.411 447 2HD1 LEU 56 HD12 LEU 56 8.880 4.616 14.659 448 3HD1 LEU 56 HD13 LEU 56 7.271 3.896 14.575 449 1HD2 LEU 56 HD21 LEU 56 10.501 3.895 13.846 450 2HD2 LEU 56 HD22 LEU 56 10.610 3.157 12.247 451 3HD2 LEU 56 HD23 LEU 56 10.385 2.144 13.671 452 H THR 57 HN THR 57 9.961 0.131 14.673 453 HA THR 57 HA THR 57 9.126 -2.714 14.627 454 HB THR 57 HB THR 57 10.874 -2.607 16.681 455 HG1 THR 57 HG1 THR 57 11.924 -0.808 16.676 456 1HG2 THR 57 HG21 THR 57 10.829 -3.488 14.045 457 2HG2 THR 57 HG22 THR 57 12.098 -3.833 15.225 458 3HG2 THR 57 HG23 THR 57 12.275 -2.475 14.113 459 H VAL 58 HN VAL 58 8.797 -3.693 16.900 460 HA VAL 58 HA VAL 58 6.476 -2.518 18.067 461 HB VAL 58 HB VAL 58 8.346 -4.751 18.845 462 1HG1 VAL 58 HG11 VAL 58 6.010 -3.708 20.491 463 2HG1 VAL 58 HG12 VAL 58 7.711 -3.637 20.957 464 3HG1 VAL 58 HG13 VAL 58 6.903 -5.198 20.805 465 1HG2 VAL 58 HG21 VAL 58 5.687 -5.584 18.841 466 2HG2 VAL 58 HG22 VAL 58 6.834 -5.775 17.515 467 3HG2 VAL 58 HG23 VAL 58 5.744 -4.388 17.542 468 H GLN 59 HN GLN 59 9.844 -2.656 19.216 469 HA GLN 59 HA GLN 59 9.246 -0.946 21.535 470 1HB GLN 59 HB2 GLN 59 11.391 -2.643 20.583 471 2HB GLN 59 HB1 GLN 59 12.008 -1.093 21.150 472 1HG GLN 59 HG2 GLN 59 10.256 -1.609 23.139 473 2HG GLN 59 HG1 GLN 59 10.666 -3.263 22.683 474 1HE2 GLN 59 HE21 GLN 59 11.821 -0.431 24.336 475 2HE2 GLN 59 HE22 GLN 59 13.369 -1.022 24.702 476 H ASN 60 HN ASN 60 9.168 -0.124 18.528 477 HA ASN 60 HA ASN 60 11.166 2.041 18.461 478 1HB ASN 60 HB2 ASN 60 9.773 0.581 16.497 479 2HB ASN 60 HB1 ASN 60 9.150 2.229 16.386 480 1HD2 ASN 60 HD21 ASN 60 11.492 3.675 17.161 481 2HD2 ASN 60 HD22 ASN 60 12.683 3.443 15.974 482 H CYS 61 HN CYS 61 7.623 1.891 18.137 483 HA CYS 61 HA CYS 61 7.276 4.705 18.690 484 1HB CYS 61 HB2 CYS 61 5.175 2.569 19.085 485 2HB CYS 61 HB1 CYS 61 4.951 4.244 18.577 486 HG CYS 61 HG CYS 61 5.260 2.062 16.659 487 H ASP 62 HN ASP 62 7.870 1.932 20.564 488 HA ASP 62 HA ASP 62 8.586 2.128 22.868 489 1HB ASP 62 HB2 ASP 62 7.849 4.596 22.835 490 2HB ASP 62 HB1 ASP 62 6.270 3.998 23.351 491 H LEU 63 HN LEU 63 6.732 0.371 21.366 492 HA LEU 63 HA LEU 63 4.451 -0.128 23.151 493 1HB LEU 63 HB2 LEU 63 5.764 -1.892 21.077 494 2HB LEU 63 HB1 LEU 63 4.260 -2.270 21.921 495 HG LEU 63 HG LEU 63 4.219 0.429 20.860 496 1HD1 LEU 63 HD11 LEU 63 5.462 -1.572 19.256 497 2HD1 LEU 63 HD12 LEU 63 5.118 0.107 18.848 498 3HD1 LEU 63 HD13 LEU 63 3.915 -1.144 18.527 499 1HD2 LEU 63 HD21 LEU 63 2.542 -2.045 20.322 500 2HD2 LEU 63 HD22 LEU 63 2.091 -0.387 19.917 501 3HD2 LEU 63 HD23 LEU 63 2.256 -0.869 21.607 502 H GLU 64 HN GLU 64 7.025 -2.438 22.348 503 HA GLU 64 HA GLU 64 8.458 -3.698 23.726 504 1HB GLU 64 HB2 GLU 64 8.398 -1.274 24.923 505 2HB GLU 64 HB1 GLU 64 7.694 -2.262 26.204 506 1HG GLU 64 HG2 GLU 64 9.694 -3.883 25.656 507 2HG GLU 64 HG1 GLU 64 10.423 -2.430 24.972 508 H GLN 65 HN GLN 65 8.382 -5.326 25.408 509 HA GLN 65 HA GLN 65 6.231 -7.016 25.533 510 1HB GLN 65 HB2 GLN 65 7.057 -7.572 27.925 511 2HB GLN 65 HB1 GLN 65 8.221 -7.754 26.604 512 1HG GLN 65 HG2 GLN 65 8.646 -5.158 27.240 513 2HG GLN 65 HG1 GLN 65 8.116 -5.753 28.810 514 1HE2 GLN 65 HE21 GLN 65 10.290 -6.899 26.157 515 2HE2 GLN 65 HE22 GLN 65 11.520 -7.424 27.203 516 H GLN 66 HN GLN 66 4.124 -6.745 26.167 517 HA GLN 66 HA GLN 66 2.307 -6.067 27.497 518 1HB GLN 66 HB2 GLN 66 4.095 -6.217 29.394 519 2HB GLN 66 HB1 GLN 66 4.228 -4.468 29.208 520 1HG GLN 66 HG2 GLN 66 1.451 -5.157 29.273 521 2HG GLN 66 HG1 GLN 66 2.250 -5.927 30.645 522 1HE2 GLN 66 HE21 GLN 66 1.697 -4.509 32.353 523 2HE2 GLN 66 HE22 GLN 66 2.052 -2.849 32.357 524 H SER 67 HN SER 67 1.230 -4.648 26.198 525 HA SER 67 HA SER 67 1.778 -1.782 26.372 526 1HB SER 67 HB2 SER 67 3.023 -3.333 24.292 527 2HB SER 67 HB1 SER 67 1.820 -2.263 23.577 528 HG SER 67 HG SER 67 2.885 -0.541 24.327 529 H ILE 68 HN ILE 68 -0.271 -0.951 26.374 530 HA ILE 68 HA ILE 68 -2.412 -2.582 25.237 531 HB ILE 68 HB ILE 68 -2.142 -0.293 27.090 532 1HG1 ILE 68 HG12 ILE 68 -3.830 -1.529 28.301 533 2HG1 ILE 68 HG11 ILE 68 -4.183 -2.515 26.886 534 1HG2 ILE 68 HG21 ILE 68 -3.515 0.639 25.243 535 2HG2 ILE 68 HG22 ILE 68 -4.422 0.464 26.744 536 3HG2 ILE 68 HG23 ILE 68 -4.638 -0.709 25.442 537 1HD1 ILE 68 HD11 ILE 68 -1.587 -3.095 27.048 538 2HD1 ILE 68 HD12 ILE 68 -2.770 -3.949 28.039 539 3HD1 ILE 68 HD13 ILE 68 -1.830 -2.630 28.733 540 H VAL 69 HN VAL 69 -3.010 -2.341 23.201 541 HA VAL 69 HA VAL 69 -2.278 0.145 21.752 542 HB VAL 69 HB VAL 69 -2.957 -1.996 19.967 543 1HG1 VAL 69 HG11 VAL 69 -1.446 -0.356 19.202 544 2HG1 VAL 69 HG12 VAL 69 -0.365 -1.702 19.558 545 3HG1 VAL 69 HG13 VAL 69 -0.521 -0.372 20.702 546 1HG2 VAL 69 HG21 VAL 69 -2.456 -3.667 21.541 547 2HG2 VAL 69 HG22 VAL 69 -1.155 -2.728 22.276 548 3HG2 VAL 69 HG23 VAL 69 -0.931 -3.452 20.686 549 H HIS 70 HN HIS 70 -3.839 0.549 19.841 550 HA HIS 70 HA HIS 70 -6.629 -0.189 20.600 551 1HB HIS 70 HB2 HIS 70 -5.603 2.326 20.861 552 2HB HIS 70 HB1 HIS 70 -6.222 2.395 19.212 553 HD1 HIS 70 HD1 HIS 70 -7.863 4.154 20.732 554 HD2 HIS 70 HD2 HIS 70 -8.523 0.048 21.048 555 HE1 HIS 70 HE1 HIS 70 -10.210 3.873 21.642 556 H ILE 71 HN ILE 71 -7.173 -1.614 18.985 557 HA ILE 71 HA ILE 71 -6.153 -1.308 16.284 558 HB ILE 71 HB ILE 71 -6.711 -3.448 16.029 559 1HG1 ILE 71 HG12 ILE 71 -9.018 -4.130 17.132 560 2HG1 ILE 71 HG11 ILE 71 -9.331 -2.468 16.685 561 1HG2 ILE 71 HG21 ILE 71 -7.568 -3.374 18.904 562 2HG2 ILE 71 HG22 ILE 71 -5.885 -3.470 18.378 563 3HG2 ILE 71 HG23 ILE 71 -7.024 -4.777 18.000 564 1HD1 ILE 71 HD11 ILE 71 -8.379 -2.912 14.445 565 2HD1 ILE 71 HD12 ILE 71 -9.779 -3.946 14.771 566 3HD1 ILE 71 HD13 ILE 71 -8.133 -4.606 14.911 567 H VAL 72 HN VAL 72 -7.278 -0.618 14.492 568 HA VAL 72 HA VAL 72 -10.079 0.302 14.885 569 HB VAL 72 HB VAL 72 -7.733 1.952 13.917 570 1HG1 VAL 72 HG11 VAL 72 -9.815 2.035 12.383 571 2HG1 VAL 72 HG12 VAL 72 -9.211 3.566 13.008 572 3HG1 VAL 72 HG13 VAL 72 -10.623 2.812 13.745 573 1HG2 VAL 72 HG21 VAL 72 -9.608 1.932 16.220 574 2HG2 VAL 72 HG22 VAL 72 -9.227 3.519 15.550 575 3HG2 VAL 72 HG23 VAL 72 -7.932 2.476 16.138 576 H GLN 73 HN GLN 73 -11.260 -0.614 13.274 577 HA GLN 73 HA GLN 73 -9.882 -1.150 10.677 578 1HB GLN 73 HB2 GLN 73 -10.576 -3.185 11.990 579 2HB GLN 73 HB1 GLN 73 -12.250 -2.659 11.801 580 1HG GLN 73 HG2 GLN 73 -11.597 -2.509 9.250 581 2HG GLN 73 HG1 GLN 73 -10.325 -3.637 9.719 582 1HE2 GLN 73 HE21 GLN 73 -12.167 -4.759 11.905 583 2HE2 GLN 73 HE22 GLN 73 -13.244 -5.768 11.067 584 H ARG 74 HN ARG 74 -10.571 0.283 9.168 585 HA ARG 74 HA ARG 74 -12.800 1.982 9.323 586 1HB ARG 74 HB2 ARG 74 -11.578 0.768 6.823 587 2HB ARG 74 HB1 ARG 74 -12.590 2.212 6.871 588 1HG ARG 74 HG2 ARG 74 -10.693 2.826 8.750 589 2HG ARG 74 HG1 ARG 74 -9.747 1.884 7.596 590 1HD ARG 74 HD2 ARG 74 -11.078 3.406 5.845 591 2HD ARG 74 HD1 ARG 74 -11.131 4.503 7.225 592 HE ARG 74 HE ARG 74 -8.751 4.729 7.092 593 1HH1 ARG 74 HH21 ARG 74 -9.819 2.015 5.278 594 2HH1 ARG 74 HH22 ARG 74 -8.463 2.029 4.201 595 1HH2 ARG 74 HH11 ARG 74 -7.079 4.905 5.542 596 2HH2 ARG 74 HH12 ARG 74 -6.916 3.658 4.350 597 HA PRO 75 HA PRO 75 -15.853 -1.309 8.877 598 1HB PRO 75 HB2 PRO 75 -17.930 0.163 9.892 599 2HB PRO 75 HB1 PRO 75 -16.759 -0.736 10.890 600 1HG PRO 75 HG2 PRO 75 -16.967 2.186 10.419 601 2HG PRO 75 HG1 PRO 75 -16.262 1.317 11.787 602 1HD PRO 75 HD2 PRO 75 -14.821 2.539 9.670 603 2HD PRO 75 HD1 PRO 75 -14.160 1.419 10.879 604 H ARG 76 HN ARG 76 -17.184 -1.687 7.127 605 HA ARG 76 HA ARG 76 -17.577 0.343 5.110 606 1HB ARG 76 HB2 ARG 76 -18.757 -2.398 5.615 607 2HB ARG 76 HB1 ARG 76 -19.411 -1.364 4.347 608 1HG ARG 76 HG2 ARG 76 -16.593 -1.286 4.067 609 2HG ARG 76 HG1 ARG 76 -17.030 -2.980 4.291 610 1HD ARG 76 HD2 ARG 76 -18.749 -2.752 2.510 611 2HD ARG 76 HD1 ARG 76 -18.236 -1.085 2.255 612 HE ARG 76 HE ARG 76 -16.595 -3.492 1.627 613 1HH1 ARG 76 HH21 ARG 76 -17.861 -0.742 0.310 614 2HH1 ARG 76 HH22 ARG 76 -16.379 -0.132 -0.349 615 1HH2 ARG 76 HH11 ARG 76 -14.386 -2.439 1.304 616 2HH2 ARG 76 HH12 ARG 76 -14.411 -1.087 0.222 617 H ARG 77 HN ARG 77 -19.979 1.053 4.568 618 HA ARG 77 HA ARG 77 -21.016 2.426 6.810 619 1HB ARG 77 HB2 ARG 77 -22.399 1.517 4.270 620 2HB ARG 77 HB1 ARG 77 -23.142 2.600 5.448 621 1HG ARG 77 HG2 ARG 77 -20.776 3.857 5.128 622 2HG ARG 77 HG1 ARG 77 -20.930 3.118 3.533 623 1HD ARG 77 HD2 ARG 77 -23.264 4.074 3.410 624 2HD ARG 77 HD1 ARG 77 -22.909 4.963 4.892 625 HE ARG 77 HE ARG 77 -22.134 6.493 3.207 626 1HH1 ARG 77 HH21 ARG 77 -19.589 4.935 4.129 627 2HH1 ARG 77 HH22 ARG 77 -18.802 4.725 2.600 628 1HH2 ARG 77 HH11 ARG 77 -21.620 5.539 0.744 629 2HH2 ARG 77 HH12 ARG 77 -19.957 5.057 0.680 630 H ARG 78 HN ARG 78 -21.188 0.988 8.617 631 HA ARG 78 HA ARG 78 -22.917 -1.391 8.348 632 1HB ARG 78 HB2 ARG 78 -20.756 -0.841 9.934 633 2HB ARG 78 HB1 ARG 78 -22.087 -0.535 11.050 634 1HG ARG 78 HG2 ARG 78 -22.370 -2.983 9.413 635 2HG ARG 78 HG1 ARG 78 -21.047 -3.011 10.578 636 1HD ARG 78 HD2 ARG 78 -23.027 -3.863 11.679 637 2HD ARG 78 HD1 ARG 78 -22.677 -2.267 12.343 638 HE ARG 78 HE ARG 78 -24.547 -2.208 10.098 639 1HH1 ARG 78 HH11 ARG 78 -23.977 -1.245 13.232 640 2HH1 ARG 78 HH12 ARG 78 -25.623 -1.335 13.762 641 1HH2 ARG 78 HH21 ARG 78 -26.741 -2.911 10.882 642 2HH2 ARG 78 HH22 ARG 78 -27.188 -2.280 12.431
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