NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
15431 | 1y7n | 6113 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLU 7 1H GLU 7 19.281 -0.118 11.862 2 HA GLU 7 HA GLU 7 19.107 -3.037 12.013 3 1HB GLU 7 1HB GLU 7 17.199 -2.682 13.524 4 2HB GLU 7 2HB GLU 7 18.637 -1.946 14.201 5 1HG GLU 7 1HG GLU 7 16.417 -0.467 12.788 6 2HG GLU 7 2HG GLU 7 16.613 -0.588 14.534 7 H THR 8 H THR 8 16.857 -3.734 11.390 8 HA THR 8 HA THR 8 15.360 -4.023 9.801 9 HB THR 8 HB THR 8 15.305 -0.995 9.576 10 HG1 THR 8 HG1 THR 8 14.664 -2.704 11.631 11 1HG2 THR 8 1HG2 THR 8 13.165 -3.090 9.173 12 2HG2 THR 8 2HG2 THR 8 14.014 -2.252 7.875 13 3HG2 THR 8 3HG2 THR 8 12.961 -1.350 8.966 14 H MET 9 H MET 9 16.993 -4.997 8.565 15 HA MET 9 HA MET 9 18.018 -3.409 6.282 16 1HB MET 9 1HB MET 9 19.229 -5.899 7.488 17 2HB MET 9 2HB MET 9 19.915 -4.890 6.234 18 1HG MET 9 1HG MET 9 20.266 -3.101 7.808 19 2HG MET 9 2HG MET 9 19.453 -4.018 9.079 20 1HE MET 9 1HE MET 9 23.142 -4.161 10.327 21 2HE MET 9 2HE MET 9 21.465 -3.875 10.785 22 3HE MET 9 3HE MET 9 22.258 -2.798 9.633 23 H GLY 10 H GLY 10 17.590 -4.221 4.269 24 1HA GLY 10 1HA GLY 10 17.670 -5.999 2.740 25 2HA GLY 10 2HA GLY 10 17.181 -7.089 4.024 26 H ASN 11 H ASN 11 15.317 -7.907 3.654 27 HA ASN 11 HA ASN 11 13.457 -6.396 2.016 28 1HB ASN 11 1HB ASN 11 13.538 -9.353 2.634 29 2HB ASN 11 2HB ASN 11 12.237 -8.572 1.741 30 1HD2 ASN 11 1HD2 ASN 11 14.053 -10.654 0.845 31 2HD2 ASN 11 2HD2 ASN 11 14.871 -9.989 -0.529 32 H VAL 12 H VAL 12 12.541 -5.060 3.340 33 HA VAL 12 HA VAL 12 10.896 -6.199 5.406 34 HB VAL 12 HB VAL 12 12.631 -3.734 5.642 35 1HG1 VAL 12 1HG1 VAL 12 11.485 -3.329 7.814 36 2HG1 VAL 12 2HG1 VAL 12 10.358 -4.638 7.431 37 3HG1 VAL 12 3HG1 VAL 12 10.378 -3.178 6.446 38 1HG2 VAL 12 1HG2 VAL 12 13.701 -5.817 6.346 39 2HG2 VAL 12 2HG2 VAL 12 12.306 -6.146 7.395 40 3HG2 VAL 12 3HG2 VAL 12 13.350 -4.772 7.739 41 H THR 13 H THR 13 9.013 -5.668 5.227 42 HA THR 13 HA THR 13 8.127 -3.523 3.450 43 HB THR 13 HB THR 13 7.130 -6.249 4.128 44 HG1 THR 13 HG1 THR 13 8.618 -5.326 2.078 45 1HG2 THR 13 1HG2 THR 13 5.788 -4.159 2.433 46 2HG2 THR 13 2HG2 THR 13 5.251 -4.764 4.001 47 3HG2 THR 13 3HG2 THR 13 5.235 -5.836 2.589 48 H THR 14 H THR 14 7.583 -1.973 4.790 49 HA THR 14 HA THR 14 6.646 -2.500 7.408 50 HB THR 14 HB THR 14 6.701 0.014 5.829 51 HG1 THR 14 HG1 THR 14 8.838 -0.013 6.136 52 1HG2 THR 14 1HG2 THR 14 5.398 0.228 7.869 53 2HG2 THR 14 2HG2 THR 14 6.930 1.073 8.130 54 3HG2 THR 14 3HG2 THR 14 6.672 -0.542 8.803 55 H VAL 15 H VAL 15 4.616 -2.233 8.130 56 HA VAL 15 HA VAL 15 2.473 -1.936 6.157 57 HB VAL 15 HB VAL 15 2.741 -3.849 8.449 58 1HG1 VAL 15 1HG1 VAL 15 0.257 -3.220 6.824 59 2HG1 VAL 15 2HG1 VAL 15 0.514 -2.822 8.526 60 3HG1 VAL 15 3HG1 VAL 15 0.413 -4.514 8.020 61 1HG2 VAL 15 1HG2 VAL 15 3.675 -4.634 6.394 62 2HG2 VAL 15 2HG2 VAL 15 2.223 -4.117 5.534 63 3HG2 VAL 15 3HG2 VAL 15 2.118 -5.493 6.634 64 H LEU 16 H LEU 16 0.967 -0.520 6.706 65 HA LEU 16 HA LEU 16 1.021 0.380 9.460 66 1HB LEU 16 1HB LEU 16 1.586 2.156 7.859 67 2HB LEU 16 2HB LEU 16 0.030 1.903 7.075 68 HG LEU 16 HG LEU 16 -1.026 2.336 9.317 69 1HD1 LEU 16 1HD1 LEU 16 1.683 3.435 9.945 70 2HD1 LEU 16 2HD1 LEU 16 0.934 2.024 10.676 71 3HD1 LEU 16 3HD1 LEU 16 0.227 3.623 10.926 72 1HD2 LEU 16 1HD2 LEU 16 0.499 4.536 8.026 73 2HD2 LEU 16 2HD2 LEU 16 -0.921 4.663 9.117 74 3HD2 LEU 16 3HD2 LEU 16 -1.070 3.862 7.525 75 H ILE 17 H ILE 17 -0.527 -0.379 10.499 76 HA ILE 17 HA ILE 17 -3.084 -1.025 9.219 77 HB ILE 17 HB ILE 17 -1.585 -2.029 11.597 78 1HG1 ILE 17 1HG1 ILE 17 -2.063 -3.335 9.528 79 2HG1 ILE 17 2HG1 ILE 17 -2.601 -4.119 11.019 80 1HG2 ILE 17 1HG2 ILE 17 -3.579 -2.686 12.860 81 2HG2 ILE 17 2HG2 ILE 17 -4.584 -1.864 11.661 82 3HG2 ILE 17 3HG2 ILE 17 -3.515 -0.913 12.688 83 1HD1 ILE 17 1HD1 ILE 17 -4.281 -2.708 8.967 84 2HD1 ILE 17 2HD1 ILE 17 -4.816 -3.004 10.583 85 3HD1 ILE 17 3HD1 ILE 17 -4.416 -4.385 9.551 86 H ARG 18 H ARG 18 -4.716 0.325 9.486 87 HA ARG 18 HA ARG 18 -4.465 2.059 11.780 88 1HB ARG 18 1HB ARG 18 -5.700 2.645 9.105 89 2HB ARG 18 2HB ARG 18 -5.978 3.648 10.529 90 1HG ARG 18 1HG ARG 18 -3.598 4.037 10.755 91 2HG ARG 18 2HG ARG 18 -3.286 3.005 9.363 92 1HD ARG 18 1HD ARG 18 -3.183 5.344 8.859 93 2HD ARG 18 2HD ARG 18 -4.478 4.511 7.950 94 HE ARG 18 HE ARG 18 -4.987 6.024 10.399 95 1HH1 ARG 18 1HH1 ARG 18 -5.517 5.565 6.911 96 2HH1 ARG 18 2HH1 ARG 18 -6.831 6.640 6.810 97 1HH2 ARG 18 1HH2 ARG 18 -6.825 7.597 10.210 98 2HH2 ARG 18 2HH2 ARG 18 -7.566 7.792 8.683 99 H ARG 19 H ARG 19 -5.401 1.234 13.149 100 HA ARG 19 HA ARG 19 -7.859 -0.302 12.779 101 1HB ARG 19 1HB ARG 19 -6.010 -1.418 13.825 102 2HB ARG 19 2HB ARG 19 -5.915 -0.163 15.046 103 1HG ARG 19 1HG ARG 19 -7.990 -0.814 15.972 104 2HG ARG 19 2HG ARG 19 -8.278 -1.988 14.673 105 1HD ARG 19 1HD ARG 19 -6.192 -3.145 15.390 106 2HD ARG 19 2HD ARG 19 -6.108 -2.054 16.768 107 HE ARG 19 HE ARG 19 -8.609 -3.180 16.678 108 1HH1 ARG 19 1HH1 ARG 19 -5.322 -3.898 17.574 109 2HH1 ARG 19 2HH1 ARG 19 -5.601 -5.392 18.294 110 1HH2 ARG 19 1HH2 ARG 19 -9.141 -5.298 17.717 111 2HH2 ARG 19 2HH2 ARG 19 -7.892 -6.234 18.381 112 HA PRO 20 HA PRO 20 -10.176 3.189 14.532 113 1HB PRO 20 1HB PRO 20 -12.240 1.056 14.648 114 2HB PRO 20 2HB PRO 20 -12.345 2.683 13.972 115 1HG PRO 20 1HG PRO 20 -12.163 0.596 12.361 116 2HG PRO 20 2HG PRO 20 -11.262 2.078 12.004 117 1HD PRO 20 1HD PRO 20 -10.280 -0.499 13.164 118 2HD PRO 20 2HD PRO 20 -9.516 0.580 11.974 119 H ASP 21 H ASP 21 -10.558 -0.122 15.885 120 HA ASP 21 HA ASP 21 -9.900 0.644 18.501 121 1HB ASP 21 1HB ASP 21 -12.055 0.301 19.642 122 2HB ASP 21 2HB ASP 21 -12.180 1.631 18.508 123 H LEU 22 H LEU 22 -11.033 -1.377 19.994 124 HA LEU 22 HA LEU 22 -9.385 -3.500 19.058 125 1HB LEU 22 1HB LEU 22 -11.041 -3.228 21.519 126 2HB LEU 22 2HB LEU 22 -9.983 -4.584 21.178 127 HG LEU 22 HG LEU 22 -9.170 -1.717 21.572 128 1HD1 LEU 22 1HD1 LEU 22 -8.572 -4.227 23.078 129 2HD1 LEU 22 2HD1 LEU 22 -9.678 -2.937 23.576 130 3HD1 LEU 22 3HD1 LEU 22 -7.938 -2.616 23.449 131 1HD2 LEU 22 1HD2 LEU 22 -7.917 -2.634 19.807 132 2HD2 LEU 22 2HD2 LEU 22 -7.551 -4.100 20.695 133 3HD2 LEU 22 3HD2 LEU 22 -6.849 -2.542 21.198 134 H ARG 23 H ARG 23 -12.596 -2.877 18.526 135 HA ARG 23 HA ARG 23 -13.159 -5.702 18.322 136 1HB ARG 23 1HB ARG 23 -14.936 -3.306 17.915 137 2HB ARG 23 2HB ARG 23 -15.459 -4.945 17.511 138 1HG ARG 23 1HG ARG 23 -14.926 -5.643 19.808 139 2HG ARG 23 2HG ARG 23 -14.543 -3.970 20.191 140 1HD ARG 23 1HD ARG 23 -16.813 -3.316 19.833 141 2HD ARG 23 2HD ARG 23 -17.227 -4.917 19.207 142 HE ARG 23 HE ARG 23 -16.076 -5.104 21.764 143 1HH1 ARG 23 1HH1 ARG 23 -19.122 -4.054 20.295 144 2HH1 ARG 23 2HH1 ARG 23 -20.123 -4.668 21.519 145 1HH2 ARG 23 1HH2 ARG 23 -17.416 -5.933 23.497 146 2HH2 ARG 23 2HH2 ARG 23 -19.100 -5.770 23.447 147 H TYR 24 H TYR 24 -11.814 -3.398 16.495 148 HA TYR 24 HA TYR 24 -12.393 -4.826 14.008 149 1HB TYR 24 1HB TYR 24 -10.908 -2.249 14.543 150 2HB TYR 24 2HB TYR 24 -10.916 -3.048 12.979 151 HD1 TYR 24 HD1 TYR 24 -12.647 -2.705 11.469 152 HD2 TYR 24 HD2 TYR 24 -13.091 -1.443 15.502 153 HE1 TYR 24 HE1 TYR 24 -14.662 -1.492 10.847 154 HE2 TYR 24 HE2 TYR 24 -15.126 -0.221 14.899 155 HH TYR 24 HH TYR 24 -16.743 -0.635 11.979 156 H GLN 25 H GLN 25 -11.301 -6.672 14.442 157 HA GLN 25 HA GLN 25 -8.664 -6.462 15.489 158 1HB GLN 25 1HB GLN 25 -10.244 -8.857 14.570 159 2HB GLN 25 2HB GLN 25 -8.624 -8.945 15.262 160 1HG GLN 25 1HG GLN 25 -9.476 -7.834 17.301 161 2HG GLN 25 2HG GLN 25 -11.093 -7.873 16.610 162 1HE2 GLN 25 1HE2 GLN 25 -8.554 -9.702 17.993 163 2HE2 GLN 25 2HE2 GLN 25 -9.438 -11.161 18.260 164 H LEU 26 H LEU 26 -6.934 -7.669 14.428 165 HA LEU 26 HA LEU 26 -5.956 -6.105 12.388 166 1HB LEU 26 1HB LEU 26 -5.136 -8.969 12.892 167 2HB LEU 26 2HB LEU 26 -4.179 -7.733 12.124 168 HG LEU 26 HG LEU 26 -3.207 -8.021 14.206 169 1HD1 LEU 26 1HD1 LEU 26 -3.540 -6.000 15.494 170 2HD1 LEU 26 2HD1 LEU 26 -4.959 -5.621 14.518 171 3HD1 LEU 26 3HD1 LEU 26 -3.364 -5.709 13.763 172 1HD2 LEU 26 1HD2 LEU 26 -4.994 -9.351 15.277 173 2HD2 LEU 26 2HD2 LEU 26 -5.869 -7.857 15.659 174 3HD2 LEU 26 3HD2 LEU 26 -4.291 -8.156 16.350 175 H GLY 27 H GLY 27 -7.354 -9.357 12.035 176 1HA GLY 27 1HA GLY 27 -8.736 -9.912 10.204 177 2HA GLY 27 2HA GLY 27 -8.039 -8.574 9.299 178 H PHE 28 H PHE 28 -5.728 -10.373 10.958 179 HA PHE 28 HA PHE 28 -5.460 -12.225 8.771 180 1HB PHE 28 1HB PHE 28 -3.084 -11.834 8.438 181 2HB PHE 28 2HB PHE 28 -3.921 -10.330 8.186 182 HD1 PHE 28 HD1 PHE 28 -1.518 -12.142 10.240 183 HD2 PHE 28 HD2 PHE 28 -3.618 -8.483 9.806 184 HE1 PHE 28 HE1 PHE 28 0.063 -11.052 11.774 185 HE2 PHE 28 HE2 PHE 28 -2.042 -7.389 11.339 186 HZ PHE 28 HZ PHE 28 -0.196 -8.675 12.324 187 H SER 29 H SER 29 -4.373 -14.050 9.288 188 HA SER 29 HA SER 29 -4.470 -14.686 12.144 189 1HB SER 29 1HB SER 29 -4.152 -16.515 9.754 190 2HB SER 29 2HB SER 29 -4.551 -16.989 11.407 191 HG SER 29 HG SER 29 -6.499 -16.096 11.232 192 H VAL 30 H VAL 30 -2.573 -14.781 13.217 193 HA VAL 30 HA VAL 30 -0.165 -15.168 11.585 194 HB VAL 30 HB VAL 30 -0.713 -12.826 12.836 195 1HG1 VAL 30 1HG1 VAL 30 0.914 -14.294 14.854 196 2HG1 VAL 30 2HG1 VAL 30 -0.760 -13.764 15.093 197 3HG1 VAL 30 3HG1 VAL 30 0.539 -12.571 14.903 198 1HG2 VAL 30 1HG2 VAL 30 1.124 -13.152 11.343 199 2HG2 VAL 30 2HG2 VAL 30 2.012 -14.037 12.587 200 3HG2 VAL 30 3HG2 VAL 30 1.678 -12.317 12.796 201 H GLN 31 H GLN 31 1.312 -16.607 12.380 202 HA GLN 31 HA GLN 31 0.817 -17.609 15.061 203 1HB GLN 31 1HB GLN 31 1.329 -19.911 14.382 204 2HB GLN 31 2HB GLN 31 -0.060 -19.307 13.507 205 1HG GLN 31 1HG GLN 31 1.388 -18.935 11.539 206 2HG GLN 31 2HG GLN 31 2.741 -19.621 12.440 207 1HE2 GLN 31 1HE2 GLN 31 3.033 -21.400 11.099 208 2HE2 GLN 31 2HE2 GLN 31 1.883 -22.661 10.974 209 H ASN 32 H ASN 32 2.429 -17.108 16.244 210 HA ASN 32 HA ASN 32 4.528 -16.767 17.050 211 1HB ASN 32 1HB ASN 32 5.288 -18.549 14.733 212 2HB ASN 32 2HB ASN 32 6.439 -17.985 15.940 213 1HD2 ASN 32 1HD2 ASN 32 5.391 -20.652 15.227 214 2HD2 ASN 32 2HD2 ASN 32 4.865 -21.334 16.721 215 H GLY 33 H GLY 33 3.383 -15.160 14.696 216 1HA GLY 33 1HA GLY 33 4.245 -12.945 14.292 217 2HA GLY 33 2HA GLY 33 5.860 -13.640 14.269 218 H ILE 34 H ILE 34 4.048 -15.821 12.678 219 HA ILE 34 HA ILE 34 4.581 -14.465 10.119 220 HB ILE 34 HB ILE 34 4.686 -17.482 10.593 221 1HG1 ILE 34 1HG1 ILE 34 7.052 -17.205 9.688 222 2HG1 ILE 34 2HG1 ILE 34 6.831 -15.475 9.855 223 1HG2 ILE 34 1HG2 ILE 34 5.050 -15.842 8.117 224 2HG2 ILE 34 2HG2 ILE 34 3.693 -16.932 8.434 225 3HG2 ILE 34 3HG2 ILE 34 5.327 -17.587 8.192 226 1HD1 ILE 34 1HD1 ILE 34 6.881 -17.501 12.081 227 2HD1 ILE 34 2HD1 ILE 34 6.613 -15.762 12.270 228 3HD1 ILE 34 3HD1 ILE 34 8.147 -16.353 11.622 229 H ILE 35 H ILE 35 3.150 -14.018 8.873 230 HA ILE 35 HA ILE 35 0.407 -14.290 9.495 231 HB ILE 35 HB ILE 35 1.789 -13.317 6.987 232 1HG1 ILE 35 1HG1 ILE 35 0.631 -11.699 9.248 233 2HG1 ILE 35 2HG1 ILE 35 2.302 -12.245 9.251 234 1HG2 ILE 35 1HG2 ILE 35 -1.050 -12.847 7.960 235 2HG2 ILE 35 2HG2 ILE 35 -0.602 -13.882 6.607 236 3HG2 ILE 35 3HG2 ILE 35 -0.321 -12.149 6.509 237 1HD1 ILE 35 1HD1 ILE 35 1.106 -10.670 7.037 238 2HD1 ILE 35 2HD1 ILE 35 2.824 -10.959 7.396 239 3HD1 ILE 35 3HD1 ILE 35 1.857 -9.922 8.449 240 H CYS 36 H CYS 36 -0.758 -16.020 9.140 241 HA CYS 36 HA CYS 36 0.036 -18.020 7.164 242 1HB CYS 36 1HB CYS 36 -0.282 -18.837 9.421 243 2HB CYS 36 2HB CYS 36 -1.888 -18.129 9.496 244 HG CYS 36 HG CYS 36 -1.511 -21.138 9.069 245 H SER 37 H SER 37 -2.583 -15.757 7.874 246 HA SER 37 HA SER 37 -3.747 -16.307 5.305 247 1HB SER 37 1HB SER 37 -4.749 -18.065 6.758 248 2HB SER 37 2HB SER 37 -5.329 -16.809 7.843 249 HG SER 37 HG SER 37 -6.294 -17.695 5.450 250 H LEU 38 H LEU 38 -5.295 -14.659 4.717 251 HA LEU 38 HA LEU 38 -5.340 -12.310 6.459 252 1HB LEU 38 1HB LEU 38 -3.614 -11.997 4.764 253 2HB LEU 38 2HB LEU 38 -4.750 -12.410 3.503 254 HG LEU 38 HG LEU 38 -6.066 -10.374 4.048 255 1HD1 LEU 38 1HD1 LEU 38 -3.755 -9.812 5.875 256 2HD1 LEU 38 2HD1 LEU 38 -5.439 -10.069 6.347 257 3HD1 LEU 38 3HD1 LEU 38 -4.979 -8.648 5.399 258 1HD2 LEU 38 1HD2 LEU 38 -4.416 -10.315 2.250 259 2HD2 LEU 38 2HD2 LEU 38 -3.179 -9.889 3.454 260 3HD2 LEU 38 3HD2 LEU 38 -4.498 -8.773 3.125 261 H MET 39 H MET 39 -7.359 -11.491 6.657 262 HA MET 39 HA MET 39 -9.493 -12.564 5.034 263 1HB MET 39 1HB MET 39 -9.801 -12.216 7.477 264 2HB MET 39 2HB MET 39 -9.549 -10.496 7.252 265 1HG MET 39 1HG MET 39 -11.911 -11.022 7.488 266 2HG MET 39 2HG MET 39 -11.560 -10.356 5.891 267 1HE MET 39 1HE MET 39 -13.989 -11.242 5.138 268 2HE MET 39 2HE MET 39 -14.242 -11.944 6.737 269 3HE MET 39 3HE MET 39 -14.496 -12.924 5.288 270 H ARG 40 H ARG 40 -9.968 -11.689 3.154 271 HA ARG 40 HA ARG 40 -8.809 -9.240 2.271 272 1HB ARG 40 1HB ARG 40 -9.612 -11.438 0.971 273 2HB ARG 40 2HB ARG 40 -11.110 -10.526 0.856 274 1HG ARG 40 1HG ARG 40 -9.856 -10.155 -1.141 275 2HG ARG 40 2HG ARG 40 -9.818 -8.663 -0.196 276 1HD ARG 40 1HD ARG 40 -7.603 -9.242 0.664 277 2HD ARG 40 2HD ARG 40 -7.644 -10.757 -0.236 278 HE ARG 40 HE ARG 40 -7.914 -8.327 -1.788 279 1HH1 ARG 40 1HH1 ARG 40 -5.648 -10.813 -0.525 280 2HH1 ARG 40 2HH1 ARG 40 -4.478 -10.488 -1.723 281 1HH2 ARG 40 1HH2 ARG 40 -6.217 -7.936 -3.405 282 2HH2 ARG 40 2HH2 ARG 40 -4.794 -8.883 -3.327 283 H GLY 41 H GLY 41 -9.793 -7.247 2.130 284 1HA GLY 41 1HA GLY 41 -11.512 -5.707 2.337 285 2HA GLY 41 2HA GLY 41 -12.574 -6.982 2.916 286 H GLY 42 H GLY 42 -9.842 -7.410 4.603 287 1HA GLY 42 1HA GLY 42 -10.953 -6.026 6.915 288 2HA GLY 42 2HA GLY 42 -9.698 -7.262 6.939 289 H ILE 43 H ILE 43 -9.338 -5.050 8.446 290 HA ILE 43 HA ILE 43 -8.093 -2.910 7.194 291 HB ILE 43 HB ILE 43 -6.786 -2.691 9.445 292 1HG1 ILE 43 1HG1 ILE 43 -9.003 -4.569 10.276 293 2HG1 ILE 43 2HG1 ILE 43 -7.281 -4.925 10.299 294 1HG2 ILE 43 1HG2 ILE 43 -8.438 -1.156 8.735 295 2HG2 ILE 43 2HG2 ILE 43 -8.652 -1.521 10.439 296 3HG2 ILE 43 3HG2 ILE 43 -9.755 -2.226 9.245 297 1HD1 ILE 43 1HD1 ILE 43 -8.678 -2.824 11.948 298 2HD1 ILE 43 2HD1 ILE 43 -6.950 -3.168 11.975 299 3HD1 ILE 43 3HD1 ILE 43 -8.098 -4.387 12.525 300 H ALA 44 H ALA 44 -6.687 -5.956 8.188 301 HA ALA 44 HA ALA 44 -4.004 -5.264 7.856 302 1HB ALA 44 1HB ALA 44 -3.576 -7.624 7.773 303 2HB ALA 44 2HB ALA 44 -5.265 -7.935 7.369 304 3HB ALA 44 3HB ALA 44 -4.849 -7.277 8.949 305 H GLU 45 H GLU 45 -6.380 -6.249 5.473 306 HA GLU 45 HA GLU 45 -4.550 -6.653 3.335 307 1HB GLU 45 1HB GLU 45 -6.975 -7.359 3.366 308 2HB GLU 45 2HB GLU 45 -7.398 -5.664 3.154 309 1HG GLU 45 1HG GLU 45 -5.651 -5.980 1.141 310 2HG GLU 45 2HG GLU 45 -6.336 -7.599 1.228 311 H ARG 46 H ARG 46 -6.387 -4.004 4.548 312 HA ARG 46 HA ARG 46 -5.656 -2.003 2.644 313 1HB ARG 46 1HB ARG 46 -6.517 -1.618 5.520 314 2HB ARG 46 2HB ARG 46 -6.501 -0.380 4.276 315 1HG ARG 46 1HG ARG 46 -8.195 -1.677 3.025 316 2HG ARG 46 2HG ARG 46 -8.257 -2.823 4.366 317 1HD ARG 46 1HD ARG 46 -8.986 -1.049 5.871 318 2HD ARG 46 2HD ARG 46 -8.849 0.130 4.567 319 HE ARG 46 HE ARG 46 -10.962 -1.736 5.038 320 1HH1 ARG 46 1HH1 ARG 46 -9.437 0.436 2.671 321 2HH1 ARG 46 2HH1 ARG 46 -10.715 0.362 1.544 322 1HH2 ARG 46 1HH2 ARG 46 -12.759 -1.822 3.499 323 2HH2 ARG 46 2HH2 ARG 46 -12.659 -0.954 2.032 324 H GLY 47 H GLY 47 -4.279 -3.170 5.590 325 1HA GLY 47 1HA GLY 47 -2.363 -1.135 5.985 326 2HA GLY 47 2HA GLY 47 -2.342 -2.722 6.721 327 H GLY 48 H GLY 48 -2.417 -3.993 4.025 328 1HA GLY 48 1HA GLY 48 -0.933 -4.215 2.163 329 2HA GLY 48 2HA GLY 48 0.281 -3.316 3.071 330 H VAL 49 H VAL 49 -1.559 -5.690 4.727 331 HA VAL 49 HA VAL 49 0.763 -7.228 5.293 332 HB VAL 49 HB VAL 49 -2.156 -7.458 6.000 333 1HG1 VAL 49 1HG1 VAL 49 -1.044 -9.697 6.057 334 2HG1 VAL 49 2HG1 VAL 49 -1.577 -9.139 7.647 335 3HG1 VAL 49 3HG1 VAL 49 0.121 -9.005 7.201 336 1HG2 VAL 49 1HG2 VAL 49 -1.096 -5.577 7.011 337 2HG2 VAL 49 2HG2 VAL 49 0.202 -6.595 7.636 338 3HG2 VAL 49 3HG2 VAL 49 -1.442 -6.784 8.247 339 H ARG 50 H ARG 50 1.249 -9.182 4.423 340 HA ARG 50 HA ARG 50 -0.639 -10.563 2.654 341 1HB ARG 50 1HB ARG 50 2.215 -9.848 1.945 342 2HB ARG 50 2HB ARG 50 1.270 -11.067 1.113 343 1HG ARG 50 1HG ARG 50 0.655 -8.130 1.258 344 2HG ARG 50 2HG ARG 50 1.327 -9.001 -0.137 345 1HD ARG 50 1HD ARG 50 -0.741 -10.377 -0.187 346 2HD ARG 50 2HD ARG 50 -1.399 -9.386 1.111 347 HE ARG 50 HE ARG 50 -0.784 -8.471 -1.611 348 1HH1 ARG 50 1HH1 ARG 50 -2.431 -7.917 1.484 349 2HH1 ARG 50 2HH1 ARG 50 -3.606 -6.859 0.823 350 1HH2 ARG 50 1HH2 ARG 50 -2.461 -7.020 -2.515 351 2HH2 ARG 50 2HH2 ARG 50 -3.636 -6.351 -1.480 352 H VAL 51 H VAL 51 -0.411 -12.581 2.510 353 HA VAL 51 HA VAL 51 0.456 -13.926 4.851 354 HB VAL 51 HB VAL 51 -0.614 -14.742 2.205 355 1HG1 VAL 51 1HG1 VAL 51 0.746 -16.643 3.054 356 2HG1 VAL 51 2HG1 VAL 51 -0.965 -17.057 3.150 357 3HG1 VAL 51 3HG1 VAL 51 -0.092 -16.561 4.603 358 1HG2 VAL 51 1HG2 VAL 51 -2.148 -13.607 3.612 359 2HG2 VAL 51 2HG2 VAL 51 -1.802 -14.706 4.947 360 3HG2 VAL 51 3HG2 VAL 51 -2.630 -15.302 3.507 361 H GLY 52 H GLY 52 2.190 -15.242 5.165 362 1HA GLY 52 1HA GLY 52 4.153 -16.363 4.586 363 2HA GLY 52 2HA GLY 52 4.045 -15.670 2.963 364 H HIS 53 H HIS 53 3.551 -13.700 5.674 365 HA HIS 53 HA HIS 53 6.235 -12.589 5.410 366 1HB HIS 53 1HB HIS 53 3.606 -11.192 5.619 367 2HB HIS 53 2HB HIS 53 5.022 -10.442 6.355 368 HD1 HIS 53 HD1 HIS 53 5.506 -8.539 4.767 369 HD2 HIS 53 HD2 HIS 53 4.814 -12.140 2.814 370 HE1 HIS 53 HE1 HIS 53 5.954 -8.094 2.344 371 HE2 HIS 53 HE2 HIS 53 5.909 -10.407 1.325 372 H ARG 54 H ARG 54 7.247 -11.965 7.178 373 HA ARG 54 HA ARG 54 6.228 -13.054 9.714 374 1HB ARG 54 1HB ARG 54 8.287 -14.105 8.974 375 2HB ARG 54 2HB ARG 54 9.054 -12.539 8.750 376 1HG ARG 54 1HG ARG 54 8.928 -12.174 11.187 377 2HG ARG 54 2HG ARG 54 8.214 -13.780 11.368 378 1HD ARG 54 1HD ARG 54 10.628 -13.808 11.824 379 2HD ARG 54 2HD ARG 54 10.220 -14.793 10.418 380 HE ARG 54 HE ARG 54 11.170 -12.036 10.087 381 1HH1 ARG 54 1HH1 ARG 54 11.790 -15.510 9.665 382 2HH1 ARG 54 2HH1 ARG 54 12.982 -15.287 8.454 383 1HH2 ARG 54 1HH2 ARG 54 12.881 -11.761 8.407 384 2HH2 ARG 54 2HH2 ARG 54 13.559 -13.167 7.721 385 H ILE 55 H ILE 55 5.680 -11.648 11.121 386 HA ILE 55 HA ILE 55 6.060 -8.798 10.840 387 HB ILE 55 HB ILE 55 5.206 -10.290 13.340 388 1HG1 ILE 55 1HG1 ILE 55 3.759 -10.892 11.386 389 2HG1 ILE 55 2HG1 ILE 55 2.875 -10.064 12.673 390 1HG2 ILE 55 1HG2 ILE 55 4.717 -7.457 12.437 391 2HG2 ILE 55 2HG2 ILE 55 5.793 -7.978 13.728 392 3HG2 ILE 55 3HG2 ILE 55 4.048 -8.187 13.892 393 1HD1 ILE 55 1HD1 ILE 55 3.773 -9.044 10.023 394 2HD1 ILE 55 2HD1 ILE 55 3.170 -7.994 11.301 395 3HD1 ILE 55 3HD1 ILE 55 2.112 -9.237 10.606 396 H ILE 56 H ILE 56 8.028 -7.891 11.271 397 HA ILE 56 HA ILE 56 9.539 -9.203 13.304 398 HB ILE 56 HB ILE 56 11.636 -8.368 12.358 399 1HG1 ILE 56 1HG1 ILE 56 11.383 -7.376 9.913 400 2HG1 ILE 56 2HG1 ILE 56 9.843 -6.804 10.537 401 1HG2 ILE 56 1HG2 ILE 56 10.767 -10.459 11.495 402 2HG2 ILE 56 2HG2 ILE 56 11.623 -9.580 10.235 403 3HG2 ILE 56 3HG2 ILE 56 9.860 -9.592 10.263 404 1HD1 ILE 56 1HD1 ILE 56 12.568 -6.153 11.645 405 2HD1 ILE 56 2HD1 ILE 56 11.024 -5.575 12.286 406 3HD1 ILE 56 3HD1 ILE 56 11.534 -5.116 10.658 407 H GLU 57 H GLU 57 7.827 -6.389 12.858 408 HA GLU 57 HA GLU 57 8.662 -5.473 15.476 409 1HB GLU 57 1HB GLU 57 10.310 -4.350 13.931 410 2HB GLU 57 2HB GLU 57 8.942 -3.604 13.109 411 1HG GLU 57 1HG GLU 57 8.327 -2.513 15.221 412 2HG GLU 57 2HG GLU 57 9.767 -3.192 15.964 413 H ILE 58 H ILE 58 7.180 -4.212 16.455 414 HA ILE 58 HA ILE 58 4.761 -3.441 14.990 415 HB ILE 58 HB ILE 58 4.841 -4.972 17.586 416 1HG1 ILE 58 1HG1 ILE 58 3.463 -5.777 15.033 417 2HG1 ILE 58 2HG1 ILE 58 5.105 -6.271 15.426 418 1HG2 ILE 58 1HG2 ILE 58 2.498 -3.787 16.053 419 2HG2 ILE 58 2HG2 ILE 58 3.083 -3.255 17.625 420 3HG2 ILE 58 3HG2 ILE 58 2.326 -4.847 17.453 421 1HD1 ILE 58 1HD1 ILE 58 2.652 -6.884 17.063 422 2HD1 ILE 58 2HD1 ILE 58 4.327 -7.368 17.402 423 3HD1 ILE 58 3HD1 ILE 58 3.506 -7.997 15.980 424 H ASN 59 H ASN 59 4.481 -1.373 15.377 425 HA ASN 59 HA ASN 59 4.685 0.703 16.156 426 1HB ASN 59 1HB ASN 59 3.498 -0.716 18.521 427 2HB ASN 59 2HB ASN 59 3.688 1.034 18.480 428 1HD2 ASN 59 1HD2 ASN 59 1.235 -0.369 18.616 429 2HD2 ASN 59 2HD2 ASN 59 0.346 0.027 17.189 430 H GLY 60 H GLY 60 7.183 -0.576 16.340 431 1HA GLY 60 1HA GLY 60 9.101 0.748 16.861 432 2HA GLY 60 2HA GLY 60 8.290 1.286 18.317 433 H GLN 61 H GLN 61 7.707 -1.963 18.217 434 HA GLN 61 HA GLN 61 10.282 -2.536 19.481 435 1HB GLN 61 1HB GLN 61 9.256 -4.059 21.072 436 2HB GLN 61 2HB GLN 61 8.549 -2.467 21.244 437 1HG GLN 61 1HG GLN 61 6.543 -3.195 20.124 438 2HG GLN 61 2HG GLN 61 7.273 -4.758 19.769 439 1HE2 GLN 61 1HE2 GLN 61 5.836 -2.772 22.216 440 2HE2 GLN 61 2HE2 GLN 61 5.654 -4.016 23.401 441 H SER 62 H SER 62 11.421 -4.005 18.652 442 HA SER 62 HA SER 62 10.555 -5.485 16.407 443 1HB SER 62 1HB SER 62 12.960 -5.982 18.183 444 2HB SER 62 2HB SER 62 12.769 -6.463 16.497 445 HG SER 62 HG SER 62 13.119 -3.885 17.595 446 H VAL 63 H VAL 63 9.106 -7.159 16.590 447 HA VAL 63 HA VAL 63 9.017 -8.612 19.113 448 HB VAL 63 HB VAL 63 6.753 -9.195 18.433 449 1HG1 VAL 63 1HG1 VAL 63 7.330 -6.236 18.204 450 2HG1 VAL 63 2HG1 VAL 63 7.172 -7.132 19.699 451 3HG1 VAL 63 3HG1 VAL 63 5.770 -6.938 18.646 452 1HG2 VAL 63 1HG2 VAL 63 5.762 -8.236 16.412 453 2HG2 VAL 63 2HG2 VAL 63 7.160 -9.227 15.991 454 3HG2 VAL 63 3HG2 VAL 63 7.293 -7.467 16.012 455 H VAL 64 H VAL 64 10.693 -8.861 16.594 456 HA VAL 64 HA VAL 64 9.892 -11.327 15.464 457 HB VAL 64 HB VAL 64 11.285 -9.441 14.457 458 1HG1 VAL 64 1HG1 VAL 64 13.487 -10.920 15.797 459 2HG1 VAL 64 2HG1 VAL 64 12.988 -9.243 16.050 460 3HG1 VAL 64 3HG1 VAL 64 13.701 -9.730 14.506 461 1HG2 VAL 64 1HG2 VAL 64 10.688 -11.331 13.277 462 2HG2 VAL 64 2HG2 VAL 64 11.972 -12.323 14.009 463 3HG2 VAL 64 3HG2 VAL 64 12.374 -10.982 12.912 464 H ALA 65 H ALA 65 11.539 -10.551 18.295 465 HA ALA 65 HA ALA 65 12.362 -13.362 18.585 466 1HB ALA 65 1HB ALA 65 14.236 -11.824 18.642 467 2HB ALA 65 2HB ALA 65 14.004 -12.565 20.235 468 3HB ALA 65 3HB ALA 65 13.471 -10.904 19.933 469 H THR 66 H THR 66 9.805 -11.723 19.085 470 HA THR 66 HA THR 66 9.443 -12.002 21.915 471 HB THR 66 HB THR 66 7.894 -10.742 19.621 472 HG1 THR 66 HG1 THR 66 9.953 -9.926 21.105 473 1HG2 THR 66 1HG2 THR 66 7.324 -10.543 22.585 474 2HG2 THR 66 2HG2 THR 66 6.393 -11.488 21.419 475 3HG2 THR 66 3HG2 THR 66 6.457 -9.735 21.270 476 HA PRO 67 HA PRO 67 7.426 -15.915 21.085 477 1HB PRO 67 1HB PRO 67 5.910 -16.136 23.356 478 2HB PRO 67 2HB PRO 67 7.641 -16.485 23.289 479 1HG PRO 67 1HG PRO 67 6.229 -14.066 24.300 480 2HG PRO 67 2HG PRO 67 7.683 -14.860 24.916 481 1HD PRO 67 1HD PRO 67 7.726 -12.578 23.417 482 2HD PRO 67 2HD PRO 67 9.059 -13.748 23.463 483 H HIS 68 H HIS 68 5.395 -16.870 20.777 484 HA HIS 68 HA HIS 68 3.603 -15.777 19.071 485 1HB HIS 68 1HB HIS 68 3.775 -18.164 19.498 486 2HB HIS 68 2HB HIS 68 3.210 -17.955 21.137 487 HD1 HIS 68 HD1 HIS 68 2.068 -19.370 18.134 488 HD2 HIS 68 HD2 HIS 68 0.296 -16.829 20.926 489 HE1 HIS 68 HE1 HIS 68 -0.385 -19.602 17.810 490 HE2 HIS 68 HE2 HIS 68 -1.453 -18.075 19.488 491 H GLU 69 H GLU 69 3.044 -16.190 22.514 492 HA GLU 69 HA GLU 69 0.461 -15.183 22.681 493 1HB GLU 69 1HB GLU 69 1.671 -16.486 24.390 494 2HB GLU 69 2HB GLU 69 2.661 -15.042 24.637 495 1HG GLU 69 1HG GLU 69 0.762 -13.804 25.407 496 2HG GLU 69 2HG GLU 69 -0.278 -15.220 25.180 497 H LYS 70 H LYS 70 3.549 -13.676 23.350 498 HA LYS 70 HA LYS 70 2.617 -11.116 24.079 499 1HB LYS 70 1HB LYS 70 5.139 -12.439 23.576 500 2HB LYS 70 2HB LYS 70 5.108 -10.850 22.882 501 1HG LYS 70 1HG LYS 70 6.105 -10.781 25.074 502 2HG LYS 70 2HG LYS 70 4.584 -9.878 25.048 503 1HD LYS 70 1HD LYS 70 4.769 -12.696 26.079 504 2HD LYS 70 2HD LYS 70 5.130 -11.311 27.104 505 1HE LYS 70 1HE LYS 70 2.853 -10.421 26.533 506 2HE LYS 70 2HE LYS 70 2.551 -11.940 25.706 507 1HZ LYS 70 1HZ LYS 70 3.349 -11.955 28.538 508 2HZ LYS 70 2HZ LYS 70 2.492 -13.154 27.649 509 3HZ LYS 70 3HZ LYS 70 1.761 -11.684 28.059 510 H ILE 71 H ILE 71 3.909 -12.256 21.004 511 HA ILE 71 HA ILE 71 3.573 -9.929 19.564 512 HB ILE 71 HB ILE 71 3.256 -12.790 18.613 513 1HG1 ILE 71 1HG1 ILE 71 5.635 -10.930 18.634 514 2HG1 ILE 71 2HG1 ILE 71 5.413 -12.362 19.624 515 1HG2 ILE 71 1HG2 ILE 71 3.850 -10.309 17.022 516 2HG2 ILE 71 2HG2 ILE 71 2.295 -11.178 17.001 517 3HG2 ILE 71 3HG2 ILE 71 3.768 -11.958 16.391 518 1HD1 ILE 71 1HD1 ILE 71 6.954 -12.738 17.793 519 2HD1 ILE 71 2HD1 ILE 71 5.687 -12.344 16.630 520 3HD1 ILE 71 3HD1 ILE 71 5.534 -13.778 17.653 521 H VAL 72 H VAL 72 1.224 -12.504 20.142 522 HA VAL 72 HA VAL 72 -0.831 -11.320 18.577 523 HB VAL 72 HB VAL 72 -0.896 -13.521 20.674 524 1HG1 VAL 72 1HG1 VAL 72 -3.163 -12.650 18.869 525 2HG1 VAL 72 2HG1 VAL 72 -3.093 -12.443 20.624 526 3HG1 VAL 72 3HG1 VAL 72 -3.144 -14.062 19.933 527 1HG2 VAL 72 1HG2 VAL 72 0.279 -14.067 18.626 528 2HG2 VAL 72 2HG2 VAL 72 -1.112 -13.560 17.672 529 3HG2 VAL 72 3HG2 VAL 72 -1.234 -14.973 18.722 530 H HIS 73 H HIS 73 0.037 -11.164 21.982 531 HA HIS 73 HA HIS 73 -2.405 -9.995 22.870 532 1HB HIS 73 1HB HIS 73 -0.848 -11.246 24.359 533 2HB HIS 73 2HB HIS 73 0.330 -9.952 24.194 534 HD1 HIS 73 HD1 HIS 73 -2.873 -10.845 25.880 535 HD2 HIS 73 HD2 HIS 73 -0.214 -7.656 25.745 536 HE1 HIS 73 HE1 HIS 73 -3.504 -9.346 27.805 537 HE2 HIS 73 HE2 HIS 73 -1.658 -7.665 27.884 538 H ILE 74 H ILE 74 0.683 -8.774 21.834 539 HA ILE 74 HA ILE 74 0.282 -6.082 22.407 540 HB ILE 74 HB ILE 74 2.084 -7.579 20.519 541 1HG1 ILE 74 1HG1 ILE 74 2.914 -5.981 22.892 542 2HG1 ILE 74 2HG1 ILE 74 2.140 -7.540 23.137 543 1HG2 ILE 74 1HG2 ILE 74 2.121 -4.621 21.127 544 2HG2 ILE 74 2HG2 ILE 74 1.706 -5.358 19.579 545 3HG2 ILE 74 3HG2 ILE 74 3.350 -5.508 20.215 546 1HD1 ILE 74 1HD1 ILE 74 4.640 -7.031 21.555 547 2HD1 ILE 74 2HD1 ILE 74 3.761 -8.572 21.779 548 3HD1 ILE 74 3HD1 ILE 74 4.495 -7.789 23.173 549 H LEU 75 H LEU 75 -0.101 -7.973 19.400 550 HA LEU 75 HA LEU 75 -1.130 -5.872 17.824 551 1HB LEU 75 1HB LEU 75 -1.496 -8.851 17.589 552 2HB LEU 75 2HB LEU 75 -2.125 -7.719 16.411 553 HG LEU 75 HG LEU 75 0.781 -8.103 17.091 554 1HD1 LEU 75 1HD1 LEU 75 -0.824 -8.946 14.684 555 2HD1 LEU 75 2HD1 LEU 75 -0.133 -10.015 15.904 556 3HD1 LEU 75 3HD1 LEU 75 0.926 -9.081 14.848 557 1HD2 LEU 75 1HD2 LEU 75 0.286 -5.801 16.400 558 2HD2 LEU 75 2HD2 LEU 75 -0.571 -6.401 14.985 559 3HD2 LEU 75 3HD2 LEU 75 1.168 -6.653 15.132 560 H SER 76 H SER 76 -2.737 -8.199 19.847 561 HA SER 76 HA SER 76 -5.357 -7.567 19.149 562 1HB SER 76 1HB SER 76 -4.695 -9.623 20.367 563 2HB SER 76 2HB SER 76 -4.383 -8.646 21.799 564 HG SER 76 HG SER 76 -6.738 -7.964 21.442 565 H ASN 77 H ASN 77 -3.164 -5.827 21.260 566 HA ASN 77 HA ASN 77 -5.492 -4.341 22.230 567 1HB ASN 77 1HB ASN 77 -2.825 -4.754 23.556 568 2HB ASN 77 2HB ASN 77 -3.958 -3.515 24.085 569 1HD2 ASN 77 1HD2 ASN 77 -3.368 -6.928 23.842 570 2HD2 ASN 77 2HD2 ASN 77 -4.663 -7.444 24.873 571 H ALA 78 H ALA 78 -3.075 -3.985 20.024 572 HA ALA 78 HA ALA 78 -2.821 -1.146 20.500 573 1HB ALA 78 1HB ALA 78 -1.118 -1.177 18.671 574 2HB ALA 78 2HB ALA 78 -1.468 -2.866 18.365 575 3HB ALA 78 3HB ALA 78 -0.754 -2.385 19.890 576 H VAL 79 H VAL 79 -3.740 0.403 19.294 577 HA VAL 79 HA VAL 79 -5.137 -0.379 16.858 578 HB VAL 79 HB VAL 79 -7.258 0.391 17.399 579 1HG1 VAL 79 1HG1 VAL 79 -8.024 -0.196 19.487 580 2HG1 VAL 79 2HG1 VAL 79 -6.356 -0.302 20.067 581 3HG1 VAL 79 3HG1 VAL 79 -6.908 -1.358 18.763 582 1HG2 VAL 79 1HG2 VAL 79 -6.650 2.670 17.850 583 2HG2 VAL 79 2HG2 VAL 79 -6.224 2.246 19.525 584 3HG2 VAL 79 3HG2 VAL 79 -7.897 2.057 18.923 585 H GLY 80 H GLY 80 -5.986 1.896 15.790 586 1HA GLY 80 1HA GLY 80 -5.475 4.038 15.150 587 2HA GLY 80 2HA GLY 80 -4.146 4.055 16.308 588 H GLU 81 H GLU 81 -2.834 4.954 14.696 589 HA GLU 81 HA GLU 81 -2.179 3.440 12.379 590 1HB GLU 81 1HB GLU 81 -0.928 5.832 13.732 591 2HB GLU 81 2HB GLU 81 -0.176 5.084 12.338 592 1HG GLU 81 1HG GLU 81 -1.449 7.067 11.716 593 2HG GLU 81 2HG GLU 81 -2.138 5.630 10.978 594 H ILE 82 H ILE 82 -1.280 1.607 12.552 595 HA ILE 82 HA ILE 82 0.683 1.055 14.687 596 HB ILE 82 HB ILE 82 -1.156 -0.820 13.194 597 1HG1 ILE 82 1HG1 ILE 82 -1.118 -0.031 16.110 598 2HG1 ILE 82 2HG1 ILE 82 -2.223 0.621 14.905 599 1HG2 ILE 82 1HG2 ILE 82 0.837 -1.441 15.396 600 2HG2 ILE 82 2HG2 ILE 82 0.989 -1.919 13.709 601 3HG2 ILE 82 3HG2 ILE 82 -0.312 -2.587 14.697 602 1HD1 ILE 82 1HD1 ILE 82 -2.023 -2.260 15.704 603 2HD1 ILE 82 2HD1 ILE 82 -3.178 -1.544 14.572 604 3HD1 ILE 82 3HD1 ILE 82 -3.232 -1.108 16.277 605 H HIS 83 H HIS 83 2.627 0.846 14.076 606 HA HIS 83 HA HIS 83 3.280 0.449 11.213 607 1HB HIS 83 1HB HIS 83 5.169 1.229 13.457 608 2HB HIS 83 2HB HIS 83 5.495 1.277 11.734 609 HD1 HIS 83 HD1 HIS 83 4.726 3.384 14.464 610 HD2 HIS 83 HD2 HIS 83 3.741 3.356 10.447 611 HE1 HIS 83 HE1 HIS 83 3.891 5.704 13.962 612 HE2 HIS 83 HE2 HIS 83 3.380 5.680 11.488 613 H MET 84 H MET 84 3.645 -1.551 10.704 614 HA MET 84 HA MET 84 5.204 -3.182 12.600 615 1HB MET 84 1HB MET 84 3.344 -4.144 10.460 616 2HB MET 84 2HB MET 84 4.252 -5.160 11.567 617 1HG MET 84 1HG MET 84 2.905 -4.239 13.415 618 2HG MET 84 2HG MET 84 1.940 -3.350 12.219 619 1HE MET 84 1HE MET 84 2.489 -5.844 9.982 620 2HE MET 84 2HE MET 84 1.133 -4.744 9.983 621 3HE MET 84 3HE MET 84 0.843 -6.497 9.969 622 H LYS 85 H LYS 85 6.656 -4.641 11.522 623 HA LYS 85 HA LYS 85 7.429 -3.770 8.812 624 1HB LYS 85 1HB LYS 85 9.250 -4.702 11.048 625 2HB LYS 85 2HB LYS 85 9.731 -4.247 9.427 626 1HG LYS 85 1HG LYS 85 8.396 -2.335 11.206 627 2HG LYS 85 2HG LYS 85 10.143 -2.645 11.351 628 1HD LYS 85 1HD LYS 85 10.070 -2.186 8.771 629 2HD LYS 85 2HD LYS 85 8.553 -1.370 9.161 630 1HE LYS 85 1HE LYS 85 9.729 -0.032 10.846 631 2HE LYS 85 2HE LYS 85 11.206 -0.903 10.393 632 1HZ LYS 85 1HZ LYS 85 11.156 1.253 9.343 633 2HZ LYS 85 2HZ LYS 85 9.681 0.954 8.606 634 3HZ LYS 85 3HZ LYS 85 11.038 0.066 8.151 635 H THR 86 H THR 86 7.253 -5.410 7.545 636 HA THR 86 HA THR 86 7.344 -8.078 8.771 637 HB THR 86 HB THR 86 5.710 -8.887 7.184 638 HG1 THR 86 HG1 THR 86 5.819 -6.236 6.143 639 1HG2 THR 86 1HG2 THR 86 4.685 -6.284 8.339 640 2HG2 THR 86 2HG2 THR 86 4.923 -7.750 9.259 641 3HG2 THR 86 3HG2 THR 86 3.724 -7.720 7.960 642 H MET 87 H MET 87 8.338 -9.715 7.577 643 HA MET 87 HA MET 87 9.886 -8.775 5.248 644 1HB MET 87 1HB MET 87 10.670 -10.879 7.309 645 2HB MET 87 2HB MET 87 11.615 -10.430 5.898 646 1HG MET 87 1HG MET 87 11.874 -8.174 6.819 647 2HG MET 87 2HG MET 87 10.970 -8.671 8.244 648 1HE MET 87 1HE MET 87 14.274 -8.893 6.238 649 2HE MET 87 2HE MET 87 13.736 -10.566 6.101 650 3HE MET 87 3HE MET 87 15.164 -10.172 7.056 651 HA PRO 88 HA PRO 88 7.860 -12.169 3.112 652 1HB PRO 88 1HB PRO 88 10.423 -13.100 1.968 653 2HB PRO 88 2HB PRO 88 9.006 -12.448 1.146 654 1HG PRO 88 1HG PRO 88 11.243 -11.014 1.326 655 2HG PRO 88 2HG PRO 88 9.655 -10.240 1.495 656 1HD PRO 88 1HD PRO 88 11.577 -11.084 3.641 657 2HD PRO 88 2HD PRO 88 10.706 -9.546 3.461 658 H ALA 89 H ALA 89 9.109 -12.733 5.729 659 HA ALA 89 HA ALA 89 9.362 -14.388 7.263 660 1HB ALA 89 1HB ALA 89 8.138 -16.439 6.930 661 2HB ALA 89 2HB ALA 89 8.045 -16.126 5.186 662 3HB ALA 89 3HB ALA 89 7.233 -15.046 6.328 663 H ALA 90 H ALA 90 11.352 -14.151 4.887 664 HA ALA 90 HA ALA 90 12.715 -16.679 5.177 665 1HB ALA 90 1HB ALA 90 14.333 -15.699 3.595 666 2HB ALA 90 2HB ALA 90 13.464 -14.166 3.662 667 3HB ALA 90 3HB ALA 90 12.687 -15.588 2.969 Start of MODEL 2 1 H GLU 7 1H GLU 7 16.866 -7.727 9.812 2 HA GLU 7 HA GLU 7 14.270 -7.276 11.098 3 1HB GLU 7 1HB GLU 7 16.296 -8.410 12.414 4 2HB GLU 7 2HB GLU 7 16.924 -6.776 12.445 5 1HG GLU 7 1HG GLU 7 14.262 -7.633 13.586 6 2HG GLU 7 2HG GLU 7 15.736 -7.439 14.516 7 H THR 8 H THR 8 17.518 -5.726 10.968 8 HA THR 8 HA THR 8 16.393 -3.156 10.444 9 HB THR 8 HB THR 8 19.267 -4.070 10.151 10 HG1 THR 8 HG1 THR 8 17.727 -3.335 12.410 11 1HG2 THR 8 1HG2 THR 8 18.054 -1.389 10.870 12 2HG2 THR 8 2HG2 THR 8 18.751 -1.804 9.304 13 3HG2 THR 8 3HG2 THR 8 19.779 -1.737 10.735 14 H MET 9 H MET 9 18.124 -5.663 8.644 15 HA MET 9 HA MET 9 17.577 -4.201 6.155 16 1HB MET 9 1HB MET 9 19.483 -5.316 5.152 17 2HB MET 9 2HB MET 9 19.990 -4.473 6.611 18 1HG MET 9 1HG MET 9 20.158 -6.512 7.828 19 2HG MET 9 2HG MET 9 19.354 -7.412 6.546 20 1HE MET 9 1HE MET 9 22.103 -4.639 6.004 21 2HE MET 9 2HE MET 9 23.582 -5.599 6.083 22 3HE MET 9 3HE MET 9 22.588 -5.394 7.522 23 H GLY 10 H GLY 10 17.217 -5.575 4.295 24 1HA GLY 10 1HA GLY 10 17.060 -8.003 3.658 25 2HA GLY 10 2HA GLY 10 15.910 -8.103 4.990 26 H ASN 11 H ASN 11 14.188 -8.591 3.740 27 HA ASN 11 HA ASN 11 13.327 -6.410 2.018 28 1HB ASN 11 1HB ASN 11 12.588 -9.339 1.962 29 2HB ASN 11 2HB ASN 11 11.576 -8.122 1.187 30 1HD2 ASN 11 1HD2 ASN 11 14.596 -9.866 1.064 31 2HD2 ASN 11 2HD2 ASN 11 15.048 -9.317 -0.503 32 H VAL 12 H VAL 12 12.639 -5.118 3.511 33 HA VAL 12 HA VAL 12 10.774 -6.180 5.413 34 HB VAL 12 HB VAL 12 12.564 -3.778 5.559 35 1HG1 VAL 12 1HG1 VAL 12 10.374 -4.705 7.410 36 2HG1 VAL 12 2HG1 VAL 12 10.377 -3.216 6.474 37 3HG1 VAL 12 3HG1 VAL 12 11.539 -3.438 7.806 38 1HG2 VAL 12 1HG2 VAL 12 13.635 -5.884 6.163 39 2HG2 VAL 12 2HG2 VAL 12 12.297 -6.187 7.291 40 3HG2 VAL 12 3HG2 VAL 12 13.394 -4.840 7.583 41 H THR 13 H THR 13 9.008 -5.822 4.972 42 HA THR 13 HA THR 13 8.080 -3.570 3.347 43 HB THR 13 HB THR 13 7.137 -6.287 4.020 44 HG1 THR 13 HG1 THR 13 8.528 -5.272 1.876 45 1HG2 THR 13 1HG2 THR 13 5.781 -4.234 2.257 46 2HG2 THR 13 2HG2 THR 13 5.216 -4.833 3.820 47 3HG2 THR 13 3HG2 THR 13 5.251 -5.918 2.423 48 H THR 14 H THR 14 7.426 -2.065 4.634 49 HA THR 14 HA THR 14 6.632 -2.608 7.300 50 HB THR 14 HB THR 14 6.505 -0.081 5.726 51 HG1 THR 14 HG1 THR 14 8.629 -0.308 5.730 52 1HG2 THR 14 1HG2 THR 14 6.619 -0.674 8.697 53 2HG2 THR 14 2HG2 THR 14 5.282 0.070 7.824 54 3HG2 THR 14 3HG2 THR 14 6.803 0.952 8.034 55 H VAL 15 H VAL 15 4.662 -2.486 8.062 56 HA VAL 15 HA VAL 15 2.450 -2.101 6.205 57 HB VAL 15 HB VAL 15 2.754 -4.040 8.453 58 1HG1 VAL 15 1HG1 VAL 15 0.274 -3.381 6.828 59 2HG1 VAL 15 2HG1 VAL 15 0.557 -2.958 8.525 60 3HG1 VAL 15 3HG1 VAL 15 0.422 -4.657 8.050 61 1HG2 VAL 15 1HG2 VAL 15 3.661 -4.837 6.402 62 2HG2 VAL 15 2HG2 VAL 15 2.226 -4.260 5.545 63 3HG2 VAL 15 3HG2 VAL 15 2.077 -5.652 6.624 64 H LEU 16 H LEU 16 1.278 -0.535 6.752 65 HA LEU 16 HA LEU 16 1.226 0.213 9.567 66 1HB LEU 16 1HB LEU 16 1.914 1.983 7.946 67 2HB LEU 16 2HB LEU 16 0.322 1.843 7.211 68 HG LEU 16 HG LEU 16 -0.633 2.356 9.485 69 1HD1 LEU 16 1HD1 LEU 16 2.200 3.161 10.008 70 2HD1 LEU 16 2HD1 LEU 16 1.269 1.908 10.843 71 3HD1 LEU 16 3HD1 LEU 16 0.809 3.602 10.988 72 1HD2 LEU 16 1HD2 LEU 16 1.042 4.423 8.167 73 2HD2 LEU 16 2HD2 LEU 16 -0.336 4.661 9.290 74 3HD2 LEU 16 3HD2 LEU 16 -0.590 3.901 7.695 75 H ILE 17 H ILE 17 -0.471 -0.573 10.503 76 HA ILE 17 HA ILE 17 -2.927 -1.012 8.909 77 HB ILE 17 HB ILE 17 -1.497 -2.731 10.633 78 1HG1 ILE 17 1HG1 ILE 17 -3.168 -3.342 8.878 79 2HG1 ILE 17 2HG1 ILE 17 -3.272 -4.294 10.354 80 1HG2 ILE 17 1HG2 ILE 17 -2.787 -3.107 12.593 81 2HG2 ILE 17 2HG2 ILE 17 -3.998 -1.950 12.029 82 3HG2 ILE 17 3HG2 ILE 17 -2.417 -1.362 12.524 83 1HD1 ILE 17 1HD1 ILE 17 -5.068 -2.017 9.560 84 2HD1 ILE 17 2HD1 ILE 17 -5.159 -2.914 11.077 85 3HD1 ILE 17 3HD1 ILE 17 -5.456 -3.742 9.540 86 H ARG 18 H ARG 18 -4.717 0.163 9.411 87 HA ARG 18 HA ARG 18 -4.400 1.930 11.704 88 1HB ARG 18 1HB ARG 18 -5.851 2.430 9.121 89 2HB ARG 18 2HB ARG 18 -6.268 3.333 10.573 90 1HG ARG 18 1HG ARG 18 -4.760 4.698 9.412 91 2HG ARG 18 2HG ARG 18 -3.804 3.953 10.688 92 1HD ARG 18 1HD ARG 18 -2.471 3.825 8.810 93 2HD ARG 18 2HD ARG 18 -3.166 2.211 8.959 94 HE ARG 18 HE ARG 18 -4.621 4.059 7.264 95 1HH1 ARG 18 1HH1 ARG 18 -2.397 1.259 7.224 96 2HH1 ARG 18 2HH1 ARG 18 -2.415 1.195 5.530 97 1HH2 ARG 18 1HH2 ARG 18 -4.575 3.816 4.959 98 2HH2 ARG 18 2HH2 ARG 18 -3.645 2.562 4.258 99 H ARG 19 H ARG 19 -5.261 1.193 13.300 100 HA ARG 19 HA ARG 19 -7.753 -0.284 13.046 101 1HB ARG 19 1HB ARG 19 -5.937 -1.542 13.952 102 2HB ARG 19 2HB ARG 19 -5.644 -0.309 15.168 103 1HG ARG 19 1HG ARG 19 -7.686 -0.767 16.239 104 2HG ARG 19 2HG ARG 19 -8.191 -1.883 14.957 105 1HD ARG 19 1HD ARG 19 -6.218 -3.269 15.499 106 2HD ARG 19 2HD ARG 19 -5.871 -2.197 16.855 107 HE ARG 19 HE ARG 19 -8.513 -3.181 16.839 108 1HH1 ARG 19 1HH1 ARG 19 -5.246 -3.742 17.942 109 2HH1 ARG 19 2HH1 ARG 19 -5.643 -5.047 18.940 110 1HH2 ARG 19 1HH2 ARG 19 -9.115 -4.955 18.220 111 2HH2 ARG 19 2HH2 ARG 19 -7.902 -5.714 19.174 112 HA PRO 20 HA PRO 20 -9.591 3.444 14.915 113 1HB PRO 20 1HB PRO 20 -11.865 1.521 15.093 114 2HB PRO 20 2HB PRO 20 -11.848 3.187 14.488 115 1HG PRO 20 1HG PRO 20 -11.944 1.180 12.770 116 2HG PRO 20 2HG PRO 20 -10.889 2.575 12.454 117 1HD PRO 20 1HD PRO 20 -10.168 -0.154 13.455 118 2HD PRO 20 2HD PRO 20 -9.322 0.882 12.287 119 H ASP 21 H ASP 21 -10.481 0.234 16.306 120 HA ASP 21 HA ASP 21 -9.508 0.895 18.900 121 1HB ASP 21 1HB ASP 21 -11.513 1.151 20.100 122 2HB ASP 21 2HB ASP 21 -11.803 2.124 18.668 123 H LEU 22 H LEU 22 -10.812 -0.954 20.422 124 HA LEU 22 HA LEU 22 -9.620 -3.298 19.392 125 1HB LEU 22 1HB LEU 22 -11.221 -2.866 21.875 126 2HB LEU 22 2HB LEU 22 -10.318 -4.323 21.484 127 HG LEU 22 HG LEU 22 -9.232 -1.577 22.007 128 1HD1 LEU 22 1HD1 LEU 22 -8.821 -4.239 23.320 129 2HD1 LEU 22 2HD1 LEU 22 -9.780 -2.894 23.955 130 3HD1 LEU 22 3HD1 LEU 22 -8.021 -2.732 23.789 131 1HD2 LEU 22 1HD2 LEU 22 -8.062 -2.446 20.159 132 2HD2 LEU 22 2HD2 LEU 22 -7.818 -4.006 20.914 133 3HD2 LEU 22 3HD2 LEU 22 -6.969 -2.567 21.529 134 H ARG 23 H ARG 23 -12.805 -2.113 19.195 135 HA ARG 23 HA ARG 23 -14.234 -4.539 18.808 136 1HB ARG 23 1HB ARG 23 -14.607 -1.808 17.604 137 2HB ARG 23 2HB ARG 23 -15.645 -3.154 17.193 138 1HG ARG 23 1HG ARG 23 -15.288 -1.978 19.935 139 2HG ARG 23 2HG ARG 23 -16.630 -1.661 18.841 140 1HD ARG 23 1HD ARG 23 -16.784 -4.315 18.873 141 2HD ARG 23 2HD ARG 23 -16.020 -4.079 20.448 142 HE ARG 23 HE ARG 23 -18.505 -2.793 19.598 143 1HH1 ARG 23 1HH1 ARG 23 -16.688 -4.533 22.110 144 2HH1 ARG 23 2HH1 ARG 23 -17.860 -4.261 23.319 145 1HH2 ARG 23 1HH2 ARG 23 -20.127 -2.474 21.282 146 2HH2 ARG 23 2HH2 ARG 23 -19.775 -2.989 22.864 147 H TYR 24 H TYR 24 -12.050 -2.759 16.867 148 HA TYR 24 HA TYR 24 -12.625 -4.374 14.501 149 1HB TYR 24 1HB TYR 24 -10.902 -1.931 14.946 150 2HB TYR 24 2HB TYR 24 -10.877 -2.852 13.459 151 HD1 TYR 24 HD1 TYR 24 -13.156 -0.887 15.661 152 HD2 TYR 24 HD2 TYR 24 -12.354 -2.336 11.746 153 HE1 TYR 24 HE1 TYR 24 -14.958 0.526 14.775 154 HE2 TYR 24 HE2 TYR 24 -14.153 -0.936 10.849 155 HH TYR 24 HH TYR 24 -15.633 1.517 12.731 156 H GLN 25 H GLN 25 -11.288 -6.005 14.043 157 HA GLN 25 HA GLN 25 -8.859 -6.120 15.637 158 1HB GLN 25 1HB GLN 25 -10.453 -8.365 14.405 159 2HB GLN 25 2HB GLN 25 -8.880 -8.571 15.166 160 1HG GLN 25 1HG GLN 25 -9.804 -7.717 17.278 161 2HG GLN 25 2HG GLN 25 -11.384 -7.571 16.507 162 1HE2 GLN 25 1HE2 GLN 25 -8.956 -9.773 17.679 163 2HE2 GLN 25 2HE2 GLN 25 -9.975 -11.155 17.694 164 H LEU 26 H LEU 26 -7.139 -7.375 14.508 165 HA LEU 26 HA LEU 26 -6.061 -5.692 12.578 166 1HB LEU 26 1HB LEU 26 -5.302 -8.588 12.981 167 2HB LEU 26 2HB LEU 26 -4.310 -7.327 12.306 168 HG LEU 26 HG LEU 26 -3.400 -7.710 14.387 169 1HD1 LEU 26 1HD1 LEU 26 -3.590 -5.378 14.051 170 2HD1 LEU 26 2HD1 LEU 26 -3.776 -5.764 15.767 171 3HD1 LEU 26 3HD1 LEU 26 -5.192 -5.359 14.800 172 1HD2 LEU 26 1HD2 LEU 26 -5.174 -9.129 15.340 173 2HD2 LEU 26 2HD2 LEU 26 -6.125 -7.693 15.746 174 3HD2 LEU 26 3HD2 LEU 26 -4.567 -7.959 16.497 175 H GLY 27 H GLY 27 -7.384 -8.959 12.089 176 1HA GLY 27 1HA GLY 27 -8.672 -9.509 10.200 177 2HA GLY 27 2HA GLY 27 -7.971 -8.133 9.353 178 H PHE 28 H PHE 28 -6.051 -10.401 11.181 179 HA PHE 28 HA PHE 28 -5.559 -12.082 8.981 180 1HB PHE 28 1HB PHE 28 -3.180 -11.686 8.660 181 2HB PHE 28 2HB PHE 28 -4.013 -10.178 8.374 182 HD1 PHE 28 HD1 PHE 28 -3.781 -8.331 9.995 183 HD2 PHE 28 HD2 PHE 28 -1.592 -11.944 10.436 184 HE1 PHE 28 HE1 PHE 28 -2.226 -7.199 11.529 185 HE2 PHE 28 HE2 PHE 28 -0.046 -10.822 11.981 186 HZ PHE 28 HZ PHE 28 -0.362 -8.447 12.521 187 H SER 29 H SER 29 -4.054 -13.754 9.612 188 HA SER 29 HA SER 29 -4.181 -14.185 12.520 189 1HB SER 29 1HB SER 29 -4.295 -16.166 10.247 190 2HB SER 29 2HB SER 29 -4.329 -16.592 11.964 191 HG SER 29 HG SER 29 -6.229 -15.430 12.171 192 H VAL 30 H VAL 30 -2.197 -14.250 13.458 193 HA VAL 30 HA VAL 30 0.032 -14.877 11.673 194 HB VAL 30 HB VAL 30 -0.290 -12.594 13.097 195 1HG1 VAL 30 1HG1 VAL 30 1.430 -14.247 14.879 196 2HG1 VAL 30 2HG1 VAL 30 -0.180 -13.623 15.272 197 3HG1 VAL 30 3HG1 VAL 30 1.174 -12.505 15.020 198 1HG2 VAL 30 1HG2 VAL 30 1.372 -12.871 11.403 199 2HG2 VAL 30 2HG2 VAL 30 2.335 -13.895 12.465 200 3HG2 VAL 30 3HG2 VAL 30 2.117 -12.184 12.845 201 H GLN 31 H GLN 31 1.370 -16.540 12.165 202 HA GLN 31 HA GLN 31 1.029 -17.754 14.768 203 1HB GLN 31 1HB GLN 31 1.342 -20.024 13.723 204 2HB GLN 31 2HB GLN 31 -0.164 -19.242 13.301 205 1HG GLN 31 1HG GLN 31 0.498 -20.196 11.297 206 2HG GLN 31 2HG GLN 31 1.083 -18.545 11.149 207 1HE2 GLN 31 1HE2 GLN 31 2.559 -19.206 9.590 208 2HE2 GLN 31 2HE2 GLN 31 4.019 -20.031 9.994 209 H ASN 32 H ASN 32 2.715 -17.691 15.878 210 HA ASN 32 HA ASN 32 4.873 -17.560 16.573 211 1HB ASN 32 1HB ASN 32 5.539 -18.841 13.911 212 2HB ASN 32 2HB ASN 32 6.686 -18.610 15.218 213 1HD2 ASN 32 1HD2 ASN 32 5.873 -21.048 13.986 214 2HD2 ASN 32 2HD2 ASN 32 5.153 -22.041 15.194 215 H GLY 33 H GLY 33 3.639 -15.583 14.583 216 1HA GLY 33 1HA GLY 33 4.443 -13.323 14.413 217 2HA GLY 33 2HA GLY 33 6.081 -13.966 14.297 218 H ILE 34 H ILE 34 4.230 -15.976 12.498 219 HA ILE 34 HA ILE 34 4.785 -14.436 10.062 220 HB ILE 34 HB ILE 34 4.702 -17.476 10.343 221 1HG1 ILE 34 1HG1 ILE 34 7.098 -17.305 9.457 222 2HG1 ILE 34 2HG1 ILE 34 6.996 -15.586 9.772 223 1HG2 ILE 34 1HG2 ILE 34 5.327 -17.524 7.959 224 2HG2 ILE 34 2HG2 ILE 34 5.207 -15.755 7.933 225 3HG2 ILE 34 3HG2 ILE 34 3.765 -16.727 8.219 226 1HD1 ILE 34 1HD1 ILE 34 6.823 -17.769 11.840 227 2HD1 ILE 34 2HD1 ILE 34 6.739 -16.029 12.147 228 3HD1 ILE 34 3HD1 ILE 34 8.217 -16.739 11.483 229 H ILE 35 H ILE 35 3.217 -13.800 8.981 230 HA ILE 35 HA ILE 35 0.527 -14.142 9.631 231 HB ILE 35 HB ILE 35 1.802 -13.184 7.066 232 1HG1 ILE 35 1HG1 ILE 35 0.686 -11.587 9.374 233 2HG1 ILE 35 2HG1 ILE 35 2.370 -12.078 9.287 234 1HG2 ILE 35 1HG2 ILE 35 -0.548 -13.780 6.681 235 2HG2 ILE 35 2HG2 ILE 35 -0.370 -12.031 6.676 236 3HG2 ILE 35 3HG2 ILE 35 -1.039 -12.850 8.093 237 1HD1 ILE 35 1HD1 ILE 35 0.995 -10.512 7.177 238 2HD1 ILE 35 2HD1 ILE 35 2.739 -10.759 7.385 239 3HD1 ILE 35 3HD1 ILE 35 1.836 -9.767 8.539 240 H CYS 36 H CYS 36 -0.602 -15.892 9.433 241 HA CYS 36 HA CYS 36 0.091 -18.062 7.664 242 1HB CYS 36 1HB CYS 36 -0.579 -18.502 9.983 243 2HB CYS 36 2HB CYS 36 -2.117 -17.708 9.697 244 HG CYS 36 HG CYS 36 -3.280 -19.884 9.292 245 H SER 37 H SER 37 -2.573 -15.766 8.152 246 HA SER 37 HA SER 37 -3.299 -16.017 5.413 247 1HB SER 37 1HB SER 37 -5.687 -16.560 5.971 248 2HB SER 37 2HB SER 37 -4.555 -17.879 6.262 249 HG SER 37 HG SER 37 -5.994 -16.288 8.028 250 H LEU 38 H LEU 38 -4.965 -14.464 4.850 251 HA LEU 38 HA LEU 38 -4.996 -12.150 6.655 252 1HB LEU 38 1HB LEU 38 -3.371 -11.803 4.908 253 2HB LEU 38 2HB LEU 38 -4.527 -12.263 3.683 254 HG LEU 38 HG LEU 38 -5.796 -10.210 4.082 255 1HD1 LEU 38 1HD1 LEU 38 -3.640 -9.595 6.092 256 2HD1 LEU 38 2HD1 LEU 38 -5.332 -9.959 6.459 257 3HD1 LEU 38 3HD1 LEU 38 -4.921 -8.502 5.563 258 1HD2 LEU 38 1HD2 LEU 38 -3.969 -10.203 2.478 259 2HD2 LEU 38 2HD2 LEU 38 -2.858 -9.735 3.775 260 3HD2 LEU 38 3HD2 LEU 38 -4.145 -8.641 3.282 261 H MET 39 H MET 39 -6.946 -11.223 6.928 262 HA MET 39 HA MET 39 -9.292 -12.475 5.881 263 1HB MET 39 1HB MET 39 -9.201 -11.621 8.180 264 2HB MET 39 2HB MET 39 -8.881 -10.009 7.585 265 1HG MET 39 1HG MET 39 -11.111 -9.900 6.640 266 2HG MET 39 2HG MET 39 -11.439 -11.549 7.182 267 1HE MET 39 1HE MET 39 -13.639 -10.670 8.429 268 2HE MET 39 2HE MET 39 -13.298 -9.011 7.926 269 3HE MET 39 3HE MET 39 -13.636 -9.367 9.616 270 H ARG 40 H ARG 40 -9.813 -12.144 3.899 271 HA ARG 40 HA ARG 40 -8.939 -10.126 2.188 272 1HB ARG 40 1HB ARG 40 -9.663 -12.365 1.514 273 2HB ARG 40 2HB ARG 40 -11.299 -11.967 2.013 274 1HG ARG 40 1HG ARG 40 -11.124 -11.896 -0.400 275 2HG ARG 40 2HG ARG 40 -11.417 -10.274 0.231 276 1HD ARG 40 1HD ARG 40 -9.042 -9.761 0.018 277 2HD ARG 40 2HD ARG 40 -8.741 -11.385 -0.594 278 HE ARG 40 HE ARG 40 -10.330 -10.734 -2.439 279 1HH1 ARG 40 1HH1 ARG 40 -8.414 -8.299 -0.749 280 2HH1 ARG 40 2HH1 ARG 40 -8.232 -7.297 -2.111 281 1HH2 ARG 40 1HH2 ARG 40 -10.091 -9.308 -4.323 282 2HH2 ARG 40 2HH2 ARG 40 -9.238 -7.849 -4.154 283 H GLY 41 H GLY 41 -9.572 -8.073 2.066 284 1HA GLY 41 1HA GLY 41 -11.080 -6.321 1.820 285 2HA GLY 41 2HA GLY 41 -12.359 -7.350 2.447 286 H GLY 42 H GLY 42 -9.798 -7.725 4.435 287 1HA GLY 42 1HA GLY 42 -11.055 -6.089 6.479 288 2HA GLY 42 2HA GLY 42 -9.768 -7.260 6.721 289 H ILE 43 H ILE 43 -9.467 -5.105 8.108 290 HA ILE 43 HA ILE 43 -8.300 -2.882 6.794 291 HB ILE 43 HB ILE 43 -7.155 -2.712 9.277 292 1HG1 ILE 43 1HG1 ILE 43 -9.890 -3.940 9.658 293 2HG1 ILE 43 2HG1 ILE 43 -8.345 -4.646 10.129 294 1HG2 ILE 43 1HG2 ILE 43 -9.749 -1.569 8.324 295 2HG2 ILE 43 2HG2 ILE 43 -8.110 -0.888 8.205 296 3HG2 ILE 43 3HG2 ILE 43 -8.879 -1.055 9.775 297 1HD1 ILE 43 1HD1 ILE 43 -9.495 -3.711 12.040 298 2HD1 ILE 43 2HD1 ILE 43 -9.563 -2.130 11.257 299 3HD1 ILE 43 3HD1 ILE 43 -8.007 -2.817 11.723 300 H ALA 44 H ALA 44 -6.886 -5.768 8.073 301 HA ALA 44 HA ALA 44 -4.214 -4.968 7.956 302 1HB ALA 44 1HB ALA 44 -3.705 -7.365 7.934 303 2HB ALA 44 2HB ALA 44 -5.391 -7.708 7.558 304 3HB ALA 44 3HB ALA 44 -4.969 -6.969 9.098 305 H GLU 45 H GLU 45 -6.351 -6.287 5.512 306 HA GLU 45 HA GLU 45 -4.295 -6.550 3.573 307 1HB GLU 45 1HB GLU 45 -6.394 -7.882 3.548 308 2HB GLU 45 2HB GLU 45 -7.292 -6.422 3.173 309 1HG GLU 45 1HG GLU 45 -6.213 -6.228 1.054 310 2HG GLU 45 2HG GLU 45 -5.112 -7.551 1.444 311 H ARG 46 H ARG 46 -6.584 -4.106 4.447 312 HA ARG 46 HA ARG 46 -5.990 -2.185 2.432 313 1HB ARG 46 1HB ARG 46 -7.003 -1.884 5.259 314 2HB ARG 46 2HB ARG 46 -6.783 -0.510 4.193 315 1HG ARG 46 1HG ARG 46 -8.519 -2.827 3.403 316 2HG ARG 46 2HG ARG 46 -9.129 -1.527 4.425 317 1HD ARG 46 1HD ARG 46 -9.686 -1.100 2.099 318 2HD ARG 46 2HD ARG 46 -8.550 0.106 2.683 319 HE ARG 46 HE ARG 46 -7.634 -2.206 1.109 320 1HH1 ARG 46 1HH1 ARG 46 -7.904 1.342 1.447 321 2HH1 ARG 46 2HH1 ARG 46 -6.835 1.634 0.148 322 1HH2 ARG 46 1HH2 ARG 46 -6.286 -1.782 -0.603 323 2HH2 ARG 46 2HH2 ARG 46 -5.912 -0.196 -1.126 324 H GLY 47 H GLY 47 -4.457 -3.029 5.450 325 1HA GLY 47 1HA GLY 47 -2.688 -0.788 5.589 326 2HA GLY 47 2HA GLY 47 -2.615 -2.225 6.577 327 H GLY 48 H GLY 48 -2.642 -3.668 3.805 328 1HA GLY 48 1HA GLY 48 -1.073 -4.084 2.081 329 2HA GLY 48 2HA GLY 48 0.074 -3.050 2.919 330 H VAL 49 H VAL 49 -1.687 -5.534 4.562 331 HA VAL 49 HA VAL 49 0.709 -6.901 5.340 332 HB VAL 49 HB VAL 49 -2.241 -7.394 5.813 333 1HG1 VAL 49 1HG1 VAL 49 -1.014 -9.578 5.850 334 2HG1 VAL 49 2HG1 VAL 49 -1.653 -9.115 7.434 335 3HG1 VAL 49 3HG1 VAL 49 0.054 -8.860 7.067 336 1HG2 VAL 49 1HG2 VAL 49 -1.320 -5.519 6.993 337 2HG2 VAL 49 2HG2 VAL 49 -0.045 -6.557 7.657 338 3HG2 VAL 49 3HG2 VAL 49 -1.720 -6.813 8.127 339 H ARG 50 H ARG 50 1.362 -8.970 4.677 340 HA ARG 50 HA ARG 50 -0.102 -10.296 2.515 341 1HB ARG 50 1HB ARG 50 2.821 -9.532 2.449 342 2HB ARG 50 2HB ARG 50 2.100 -10.734 1.387 343 1HG ARG 50 1HG ARG 50 1.195 -7.897 1.548 344 2HG ARG 50 2HG ARG 50 2.420 -8.466 0.389 345 1HD ARG 50 1HD ARG 50 -0.452 -9.418 0.608 346 2HD ARG 50 2HD ARG 50 0.157 -8.298 -0.602 347 HE ARG 50 HE ARG 50 1.686 -10.649 -0.676 348 1HH1 ARG 50 1HH1 ARG 50 -1.477 -9.438 -1.655 349 2HH1 ARG 50 2HH1 ARG 50 -1.779 -10.656 -2.814 350 1HH2 ARG 50 1HH2 ARG 50 1.302 -12.350 -2.279 351 2HH2 ARG 50 2HH2 ARG 50 -0.162 -12.336 -3.166 352 H VAL 51 H VAL 51 0.030 -12.294 2.472 353 HA VAL 51 HA VAL 51 0.603 -13.666 4.912 354 HB VAL 51 HB VAL 51 -0.422 -14.461 2.228 355 1HG1 VAL 51 1HG1 VAL 51 -0.194 -16.225 4.694 356 2HG1 VAL 51 2HG1 VAL 51 0.691 -16.446 3.181 357 3HG1 VAL 51 3HG1 VAL 51 -1.061 -16.667 3.220 358 1HG2 VAL 51 1HG2 VAL 51 -1.744 -14.229 4.896 359 2HG2 VAL 51 2HG2 VAL 51 -2.543 -14.771 3.417 360 3HG2 VAL 51 3HG2 VAL 51 -1.906 -13.128 3.531 361 H GLY 52 H GLY 52 2.141 -15.272 5.285 362 1HA GLY 52 1HA GLY 52 4.068 -16.512 4.877 363 2HA GLY 52 2HA GLY 52 4.113 -15.862 3.238 364 H HIS 53 H HIS 53 3.630 -13.657 5.716 365 HA HIS 53 HA HIS 53 6.392 -12.746 5.470 366 1HB HIS 53 1HB HIS 53 3.817 -11.277 5.711 367 2HB HIS 53 2HB HIS 53 5.274 -10.568 6.401 368 HD1 HIS 53 HD1 HIS 53 5.544 -8.643 4.715 369 HD2 HIS 53 HD2 HIS 53 5.199 -12.387 2.914 370 HE1 HIS 53 HE1 HIS 53 6.035 -8.281 2.285 371 HE2 HIS 53 HE2 HIS 53 6.150 -10.612 1.331 372 H ARG 54 H ARG 54 7.526 -12.291 7.202 373 HA ARG 54 HA ARG 54 6.459 -13.217 9.767 374 1HB ARG 54 1HB ARG 54 8.469 -14.391 9.022 375 2HB ARG 54 2HB ARG 54 9.276 -12.861 8.739 376 1HG ARG 54 1HG ARG 54 9.406 -12.420 11.096 377 2HG ARG 54 2HG ARG 54 8.410 -13.837 11.455 378 1HD ARG 54 1HD ARG 54 10.098 -15.323 10.681 379 2HD ARG 54 2HD ARG 54 11.036 -14.006 9.993 380 HE ARG 54 HE ARG 54 11.322 -13.248 12.352 381 1HH1 ARG 54 1HH1 ARG 54 10.835 -16.702 11.643 382 2HH1 ARG 54 2HH1 ARG 54 11.762 -17.225 12.976 383 1HH2 ARG 54 1HH2 ARG 54 12.677 -14.019 14.119 384 2HH2 ARG 54 2HH2 ARG 54 12.852 -15.676 14.381 385 H ILE 55 H ILE 55 5.832 -11.683 11.027 386 HA ILE 55 HA ILE 55 6.539 -8.944 10.566 387 HB ILE 55 HB ILE 55 5.087 -10.132 12.939 388 1HG1 ILE 55 1HG1 ILE 55 4.005 -9.021 10.342 389 2HG1 ILE 55 2HG1 ILE 55 3.897 -10.686 10.908 390 1HG2 ILE 55 1HG2 ILE 55 5.215 -7.302 11.870 391 2HG2 ILE 55 2HG2 ILE 55 5.961 -7.881 13.356 392 3HG2 ILE 55 3HG2 ILE 55 4.205 -7.833 13.211 393 1HD1 ILE 55 1HD1 ILE 55 2.513 -10.015 12.713 394 2HD1 ILE 55 2HD1 ILE 55 1.832 -9.390 11.184 395 3HD1 ILE 55 3HD1 ILE 55 2.764 -8.324 12.271 396 H ILE 56 H ILE 56 8.146 -7.936 11.383 397 HA ILE 56 HA ILE 56 9.625 -9.216 13.510 398 HB ILE 56 HB ILE 56 11.603 -8.035 12.782 399 1HG1 ILE 56 1HG1 ILE 56 9.872 -6.983 10.547 400 2HG1 ILE 56 2HG1 ILE 56 10.423 -6.061 11.951 401 1HG2 ILE 56 1HG2 ILE 56 10.168 -9.436 10.523 402 2HG2 ILE 56 2HG2 ILE 56 11.110 -10.224 11.788 403 3HG2 ILE 56 3HG2 ILE 56 11.907 -9.160 10.626 404 1HD1 ILE 56 1HD1 ILE 56 12.196 -7.419 10.017 405 2HD1 ILE 56 2HD1 ILE 56 12.621 -6.314 11.344 406 3HD1 ILE 56 3HD1 ILE 56 11.742 -5.704 9.923 407 H GLU 57 H GLU 57 7.587 -6.603 12.972 408 HA GLU 57 HA GLU 57 8.370 -5.429 15.480 409 1HB GLU 57 1HB GLU 57 10.022 -4.474 13.878 410 2HB GLU 57 2HB GLU 57 8.688 -3.824 12.940 411 1HG GLU 57 1HG GLU 57 8.043 -2.427 14.800 412 2HG GLU 57 2HG GLU 57 9.323 -3.117 15.787 413 H ILE 58 H ILE 58 6.808 -4.193 16.332 414 HA ILE 58 HA ILE 58 4.403 -3.589 14.767 415 HB ILE 58 HB ILE 58 4.473 -5.040 17.431 416 1HG1 ILE 58 1HG1 ILE 58 3.246 -6.011 14.855 417 2HG1 ILE 58 2HG1 ILE 58 4.896 -6.396 15.329 418 1HG2 ILE 58 1HG2 ILE 58 2.153 -4.058 15.771 419 2HG2 ILE 58 2HG2 ILE 58 2.638 -3.419 17.337 420 3HG2 ILE 58 3HG2 ILE 58 1.980 -5.058 17.215 421 1HD1 ILE 58 1HD1 ILE 58 2.424 -7.079 16.908 422 2HD1 ILE 58 2HD1 ILE 58 4.107 -7.479 17.300 423 3HD1 ILE 58 3HD1 ILE 58 3.353 -8.179 15.870 424 H ASN 59 H ASN 59 4.011 -1.519 15.103 425 HA ASN 59 HA ASN 59 3.769 0.561 15.943 426 1HB ASN 59 1HB ASN 59 4.001 -0.708 18.688 427 2HB ASN 59 2HB ASN 59 3.586 0.970 18.395 428 1HD2 ASN 59 1HD2 ASN 59 1.527 1.440 17.481 429 2HD2 ASN 59 2HD2 ASN 59 0.256 0.261 17.563 430 H GLY 60 H GLY 60 6.535 -0.954 15.917 431 1HA GLY 60 1HA GLY 60 8.559 0.332 15.638 432 2HA GLY 60 2HA GLY 60 7.992 1.396 16.924 433 H GLN 61 H GLN 61 7.178 -1.637 17.704 434 HA GLN 61 HA GLN 61 9.496 -2.079 19.416 435 1HB GLN 61 1HB GLN 61 7.362 -1.855 20.559 436 2HB GLN 61 2HB GLN 61 6.635 -3.041 19.487 437 1HG GLN 61 1HG GLN 61 8.046 -4.749 20.394 438 2HG GLN 61 2HG GLN 61 8.837 -3.575 21.451 439 1HE2 GLN 61 1HE2 GLN 61 5.358 -3.549 20.795 440 2HE2 GLN 61 2HE2 GLN 61 4.888 -4.034 22.363 441 H SER 62 H SER 62 10.880 -3.506 18.611 442 HA SER 62 HA SER 62 10.213 -5.277 16.479 443 1HB SER 62 1HB SER 62 12.518 -4.351 16.810 444 2HB SER 62 2HB SER 62 12.672 -5.298 18.280 445 HG SER 62 HG SER 62 12.840 -6.054 15.625 446 H VAL 63 H VAL 63 8.905 -7.003 16.752 447 HA VAL 63 HA VAL 63 8.772 -8.305 19.351 448 HB VAL 63 HB VAL 63 6.570 -9.015 18.582 449 1HG1 VAL 63 1HG1 VAL 63 6.999 -6.040 18.198 450 2HG1 VAL 63 2HG1 VAL 63 6.793 -6.847 19.746 451 3HG1 VAL 63 3HG1 VAL 63 5.462 -6.811 18.595 452 1HG2 VAL 63 1HG2 VAL 63 7.136 -9.159 16.179 453 2HG2 VAL 63 2HG2 VAL 63 7.141 -7.393 16.089 454 3HG2 VAL 63 3HG2 VAL 63 5.651 -8.257 16.453 455 H VAL 64 H VAL 64 10.587 -8.588 16.892 456 HA VAL 64 HA VAL 64 9.869 -11.060 15.743 457 HB VAL 64 HB VAL 64 11.308 -9.208 14.783 458 1HG1 VAL 64 1HG1 VAL 64 13.453 -10.618 16.297 459 2HG1 VAL 64 2HG1 VAL 64 12.903 -8.951 16.497 460 3HG1 VAL 64 3HG1 VAL 64 13.718 -9.443 15.003 461 1HG2 VAL 64 1HG2 VAL 64 10.830 -11.157 13.617 462 2HG2 VAL 64 2HG2 VAL 64 12.075 -12.090 14.474 463 3HG2 VAL 64 3HG2 VAL 64 12.534 -10.780 13.361 464 H ALA 65 H ALA 65 11.465 -10.267 18.607 465 HA ALA 65 HA ALA 65 12.436 -13.025 18.933 466 1HB ALA 65 1HB ALA 65 13.820 -12.115 20.738 467 2HB ALA 65 2HB ALA 65 13.086 -10.521 20.462 468 3HB ALA 65 3HB ALA 65 14.075 -11.264 19.204 469 H THR 66 H THR 66 9.751 -11.240 19.508 470 HA THR 66 HA THR 66 9.212 -11.750 22.205 471 HB THR 66 HB THR 66 7.719 -10.641 19.799 472 HG1 THR 66 HG1 THR 66 8.855 -9.289 21.990 473 1HG2 THR 66 1HG2 THR 66 6.133 -11.442 21.514 474 2HG2 THR 66 2HG2 THR 66 6.154 -9.689 21.386 475 3HG2 THR 66 3HG2 THR 66 6.980 -10.486 22.736 476 HA PRO 67 HA PRO 67 7.586 -15.889 21.405 477 1HB PRO 67 1HB PRO 67 5.692 -15.891 23.441 478 2HB PRO 67 2HB PRO 67 7.383 -16.354 23.644 479 1HG PRO 67 1HG PRO 67 6.036 -13.771 24.268 480 2HG PRO 67 2HG PRO 67 7.323 -14.609 25.153 481 1HD PRO 67 1HD PRO 67 7.829 -12.479 23.616 482 2HD PRO 67 2HD PRO 67 8.983 -13.825 23.737 483 H HIS 68 H HIS 68 5.853 -16.751 20.388 484 HA HIS 68 HA HIS 68 4.326 -15.209 18.743 485 1HB HIS 68 1HB HIS 68 3.076 -17.201 18.079 486 2HB HIS 68 2HB HIS 68 4.754 -17.609 18.418 487 HD1 HIS 68 HD1 HIS 68 5.049 -19.761 19.648 488 HD2 HIS 68 HD2 HIS 68 1.354 -18.014 20.456 489 HE1 HIS 68 HE1 HIS 68 3.845 -21.357 21.124 490 HE2 HIS 68 HE2 HIS 68 1.774 -20.126 21.832 491 H GLU 69 H GLU 69 3.404 -16.323 21.919 492 HA GLU 69 HA GLU 69 0.669 -15.655 21.684 493 1HB GLU 69 1HB GLU 69 1.947 -17.171 23.357 494 2HB GLU 69 2HB GLU 69 2.135 -15.661 24.257 495 1HG GLU 69 1HG GLU 69 0.212 -16.892 25.051 496 2HG GLU 69 2HG GLU 69 -0.282 -15.376 24.279 497 H LYS 70 H LYS 70 3.534 -13.915 22.823 498 HA LYS 70 HA LYS 70 2.073 -11.706 23.766 499 1HB LYS 70 1HB LYS 70 4.940 -12.210 23.256 500 2HB LYS 70 2HB LYS 70 4.426 -10.555 23.237 501 1HG LYS 70 1HG LYS 70 3.320 -10.913 25.426 502 2HG LYS 70 2HG LYS 70 4.103 -12.499 25.491 503 1HD LYS 70 1HD LYS 70 6.258 -11.494 25.455 504 2HD LYS 70 2HD LYS 70 5.544 -9.914 25.090 505 1HE LYS 70 1HE LYS 70 6.149 -10.005 27.421 506 2HE LYS 70 2HE LYS 70 4.400 -9.929 27.189 507 1HZ LYS 70 1HZ LYS 70 5.948 -12.391 27.837 508 2HZ LYS 70 2HZ LYS 70 4.268 -12.325 27.635 509 3HZ LYS 70 3HZ LYS 70 4.983 -11.537 28.925 510 H ILE 71 H ILE 71 3.725 -12.370 20.762 511 HA ILE 71 HA ILE 71 3.310 -9.944 19.499 512 HB ILE 71 HB ILE 71 3.199 -12.694 18.188 513 1HG1 ILE 71 1HG1 ILE 71 5.528 -10.825 18.663 514 2HG1 ILE 71 2HG1 ILE 71 5.244 -12.335 19.511 515 1HG2 ILE 71 1HG2 ILE 71 3.901 -11.525 16.154 516 2HG2 ILE 71 2HG2 ILE 71 3.879 -10.000 17.034 517 3HG2 ILE 71 3HG2 ILE 71 2.362 -10.864 16.737 518 1HD1 ILE 71 1HD1 ILE 71 5.799 -12.052 16.571 519 2HD1 ILE 71 2HD1 ILE 71 5.599 -13.577 17.450 520 3HD1 ILE 71 3HD1 ILE 71 6.966 -12.507 17.808 521 H VAL 72 H VAL 72 1.135 -12.694 19.837 522 HA VAL 72 HA VAL 72 -0.967 -11.519 18.329 523 HB VAL 72 HB VAL 72 -0.961 -13.844 20.285 524 1HG1 VAL 72 1HG1 VAL 72 -3.184 -12.954 18.434 525 2HG1 VAL 72 2HG1 VAL 72 -3.211 -12.896 20.202 526 3HG1 VAL 72 3HG1 VAL 72 -3.153 -14.450 19.374 527 1HG2 VAL 72 1HG2 VAL 72 0.328 -14.177 18.257 528 2HG2 VAL 72 2HG2 VAL 72 -1.075 -13.728 17.286 529 3HG2 VAL 72 3HG2 VAL 72 -1.110 -15.202 18.262 530 H HIS 73 H HIS 73 -0.074 -11.478 21.744 531 HA HIS 73 HA HIS 73 -2.588 -10.503 22.700 532 1HB HIS 73 1HB HIS 73 -0.948 -11.672 24.188 533 2HB HIS 73 2HB HIS 73 0.141 -10.306 24.033 534 HD1 HIS 73 HD1 HIS 73 -3.370 -11.008 25.272 535 HD2 HIS 73 HD2 HIS 73 -0.232 -8.382 25.944 536 HE1 HIS 73 HE1 HIS 73 -4.097 -9.555 27.197 537 HE2 HIS 73 HE2 HIS 73 -2.343 -7.773 27.292 538 H ILE 74 H ILE 74 0.431 -9.060 21.784 539 HA ILE 74 HA ILE 74 -0.126 -6.433 22.447 540 HB ILE 74 HB ILE 74 1.800 -7.736 20.526 541 1HG1 ILE 74 1HG1 ILE 74 2.436 -6.326 23.081 542 2HG1 ILE 74 2HG1 ILE 74 1.771 -7.952 23.129 543 1HG2 ILE 74 1HG2 ILE 74 1.688 -4.845 21.388 544 2HG2 ILE 74 2HG2 ILE 74 1.367 -5.453 19.759 545 3HG2 ILE 74 3HG2 ILE 74 2.988 -5.593 20.451 546 1HD1 ILE 74 1HD1 ILE 74 4.307 -7.103 21.762 547 2HD1 ILE 74 2HD1 ILE 74 3.545 -8.718 21.762 548 3HD1 ILE 74 3HD1 ILE 74 4.133 -8.039 23.280 549 H LEU 75 H LEU 75 -0.281 -8.193 19.327 550 HA LEU 75 HA LEU 75 -1.385 -6.122 17.799 551 1HB LEU 75 1HB LEU 75 -1.636 -9.105 17.522 552 2HB LEU 75 2HB LEU 75 -2.324 -7.989 16.362 553 HG LEU 75 HG LEU 75 0.603 -8.216 17.028 554 1HD1 LEU 75 1HD1 LEU 75 -0.942 -9.145 14.615 555 2HD1 LEU 75 2HD1 LEU 75 -0.250 -10.183 15.857 556 3HD1 LEU 75 3HD1 LEU 75 0.809 -9.228 14.819 557 1HD2 LEU 75 1HD2 LEU 75 -0.038 -5.951 16.332 558 2HD2 LEU 75 2HD2 LEU 75 -0.855 -6.617 14.918 559 3HD2 LEU 75 3HD2 LEU 75 0.896 -6.757 15.071 560 H SER 76 H SER 76 -2.949 -8.560 19.741 561 HA SER 76 HA SER 76 -5.578 -8.080 19.060 562 1HB SER 76 1HB SER 76 -4.863 -10.033 20.355 563 2HB SER 76 2HB SER 76 -4.446 -8.997 21.714 564 HG SER 76 HG SER 76 -6.387 -9.416 22.320 565 H ASN 77 H ASN 77 -3.450 -6.117 21.081 566 HA ASN 77 HA ASN 77 -5.837 -4.631 21.913 567 1HB ASN 77 1HB ASN 77 -3.394 -5.213 23.541 568 2HB ASN 77 2HB ASN 77 -4.596 -4.006 24.012 569 1HD2 ASN 77 1HD2 ASN 77 -3.877 -7.363 23.659 570 2HD2 ASN 77 2HD2 ASN 77 -5.310 -7.960 24.423 571 H ALA 78 H ALA 78 -3.065 -4.264 20.090 572 HA ALA 78 HA ALA 78 -2.824 -1.480 20.768 573 1HB ALA 78 1HB ALA 78 -0.956 -1.444 19.126 574 2HB ALA 78 2HB ALA 78 -1.339 -3.094 18.655 575 3HB ALA 78 3HB ALA 78 -0.757 -2.758 20.279 576 H VAL 79 H VAL 79 -3.700 0.179 19.653 577 HA VAL 79 HA VAL 79 -4.966 -0.478 17.109 578 HB VAL 79 HB VAL 79 -7.032 0.437 17.673 579 1HG1 VAL 79 1HG1 VAL 79 -6.130 -0.495 20.271 580 2HG1 VAL 79 2HG1 VAL 79 -6.824 -1.404 18.927 581 3HG1 VAL 79 3HG1 VAL 79 -7.793 -0.189 19.769 582 1HG2 VAL 79 1HG2 VAL 79 -6.226 2.646 18.236 583 2HG2 VAL 79 2HG2 VAL 79 -5.852 2.098 19.891 584 3HG2 VAL 79 3HG2 VAL 79 -7.531 2.080 19.270 585 H GLY 80 H GLY 80 -5.642 1.834 16.079 586 1HA GLY 80 1HA GLY 80 -5.012 4.017 15.599 587 2HA GLY 80 2HA GLY 80 -3.554 3.790 16.559 588 H GLU 81 H GLU 81 -2.332 4.625 14.869 589 HA GLU 81 HA GLU 81 -2.103 3.161 12.408 590 1HB GLU 81 1HB GLU 81 -0.514 5.384 13.674 591 2HB GLU 81 2HB GLU 81 -0.212 4.755 12.068 592 1HG GLU 81 1HG GLU 81 -2.324 5.491 11.317 593 2HG GLU 81 2HG GLU 81 -2.777 6.033 12.942 594 H ILE 82 H ILE 82 -1.040 1.332 12.455 595 HA ILE 82 HA ILE 82 0.991 0.975 14.573 596 HB ILE 82 HB ILE 82 -0.697 -1.159 13.235 597 1HG1 ILE 82 1HG1 ILE 82 -0.881 -0.132 16.074 598 2HG1 ILE 82 2HG1 ILE 82 -1.918 0.446 14.780 599 1HG2 ILE 82 1HG2 ILE 82 1.210 -1.349 15.565 600 2HG2 ILE 82 2HG2 ILE 82 1.490 -1.983 13.944 601 3HG2 ILE 82 3HG2 ILE 82 0.204 -2.659 14.942 602 1HD1 ILE 82 1HD1 ILE 82 -1.775 -2.402 15.766 603 2HD1 ILE 82 2HD1 ILE 82 -2.872 -1.752 14.530 604 3HD1 ILE 82 3HD1 ILE 82 -3.012 -1.212 16.185 605 H HIS 83 H HIS 83 2.913 1.022 13.792 606 HA HIS 83 HA HIS 83 3.491 0.359 10.991 607 1HB HIS 83 1HB HIS 83 5.304 1.354 13.224 608 2HB HIS 83 2HB HIS 83 5.825 1.052 11.580 609 HD1 HIS 83 HD1 HIS 83 6.073 3.144 10.280 610 HD2 HIS 83 HD2 HIS 83 3.185 3.515 13.253 611 HE1 HIS 83 HE1 HIS 83 5.287 5.512 10.172 612 HE2 HIS 83 HE2 HIS 83 3.423 5.664 11.862 613 H MET 84 H MET 84 3.685 -1.678 10.615 614 HA MET 84 HA MET 84 5.212 -3.274 12.534 615 1HB MET 84 1HB MET 84 3.359 -4.218 10.371 616 2HB MET 84 2HB MET 84 4.237 -5.239 11.492 617 1HG MET 84 1HG MET 84 2.920 -4.201 13.324 618 2HG MET 84 2HG MET 84 1.945 -3.389 12.085 619 1HE MET 84 1HE MET 84 2.571 -6.063 10.036 620 2HE MET 84 2HE MET 84 1.206 -4.976 9.914 621 3HE MET 84 3HE MET 84 0.934 -6.734 10.045 622 H LYS 85 H LYS 85 6.703 -4.744 11.514 623 HA LYS 85 HA LYS 85 7.447 -3.944 8.795 624 1HB LYS 85 1HB LYS 85 9.280 -4.742 11.074 625 2HB LYS 85 2HB LYS 85 9.781 -4.448 9.418 626 1HG LYS 85 1HG LYS 85 8.480 -2.399 11.090 627 2HG LYS 85 2HG LYS 85 10.237 -2.660 11.077 628 1HD LYS 85 1HD LYS 85 10.003 -2.440 8.534 629 2HD LYS 85 2HD LYS 85 8.416 -1.755 8.881 630 1HE LYS 85 1HE LYS 85 9.442 -0.087 10.302 631 2HE LYS 85 2HE LYS 85 10.995 -0.883 10.001 632 1HZ LYS 85 1HZ LYS 85 9.441 0.144 7.736 633 2HZ LYS 85 2HZ LYS 85 11.135 -0.122 7.894 634 3HZ LYS 85 3HZ LYS 85 10.394 1.191 8.662 635 H THR 86 H THR 86 7.320 -5.566 7.527 636 HA THR 86 HA THR 86 7.410 -8.243 8.716 637 HB THR 86 HB THR 86 5.771 -9.011 7.142 638 HG1 THR 86 HG1 THR 86 5.943 -6.361 6.101 639 1HG2 THR 86 1HG2 THR 86 4.740 -6.424 8.305 640 2HG2 THR 86 2HG2 THR 86 5.062 -7.868 9.228 641 3HG2 THR 86 3HG2 THR 86 3.798 -7.892 7.980 642 H MET 87 H MET 87 8.575 -9.804 7.653 643 HA MET 87 HA MET 87 10.069 -8.894 5.271 644 1HB MET 87 1HB MET 87 10.891 -10.926 7.385 645 2HB MET 87 2HB MET 87 11.861 -10.503 5.995 646 1HG MET 87 1HG MET 87 11.904 -8.156 6.905 647 2HG MET 87 2HG MET 87 11.188 -8.822 8.375 648 1HE MET 87 1HE MET 87 12.784 -11.775 8.173 649 2HE MET 87 2HE MET 87 12.410 -10.955 9.685 650 3HE MET 87 3HE MET 87 14.065 -11.458 9.341 651 HA PRO 88 HA PRO 88 8.135 -12.418 3.286 652 1HB PRO 88 1HB PRO 88 10.052 -13.549 1.760 653 2HB PRO 88 2HB PRO 88 9.394 -11.953 1.386 654 1HG PRO 88 1HG PRO 88 11.926 -12.660 2.814 655 2HG PRO 88 2HG PRO 88 11.670 -11.472 1.525 656 1HD PRO 88 1HD PRO 88 11.825 -10.759 4.102 657 2HD PRO 88 2HD PRO 88 10.766 -9.914 2.961 658 H ALA 89 H ALA 89 9.354 -12.838 5.890 659 HA ALA 89 HA ALA 89 9.827 -14.418 7.460 660 1HB ALA 89 1HB ALA 89 8.823 -16.627 7.126 661 2HB ALA 89 2HB ALA 89 8.575 -16.243 5.405 662 3HB ALA 89 3HB ALA 89 7.761 -15.296 6.662 663 H ALA 90 H ALA 90 11.829 -13.632 5.696 664 HA ALA 90 HA ALA 90 13.644 -15.863 5.969 665 1HB ALA 90 1HB ALA 90 14.658 -15.296 3.806 666 2HB ALA 90 2HB ALA 90 13.432 -14.063 3.544 667 3HB ALA 90 3HB ALA 90 12.970 -15.766 3.596 Start of MODEL 3 1 H GLU 7 1H GLU 7 21.843 -6.376 8.587 2 HA GLU 7 HA GLU 7 20.933 -8.058 9.838 3 1HB GLU 7 1HB GLU 7 21.763 -6.455 12.277 4 2HB GLU 7 2HB GLU 7 20.652 -7.806 12.328 5 1HG GLU 7 1HG GLU 7 22.774 -8.580 13.052 6 2HG GLU 7 2HG GLU 7 22.492 -9.251 11.449 7 H THR 8 H THR 8 18.773 -8.041 10.352 8 HA THR 8 HA THR 8 16.640 -7.243 10.273 9 HB THR 8 HB THR 8 17.811 -4.641 11.370 10 HG1 THR 8 HG1 THR 8 16.999 -7.021 12.691 11 1HG2 THR 8 1HG2 THR 8 15.111 -5.963 11.819 12 2HG2 THR 8 2HG2 THR 8 15.392 -4.566 10.779 13 3HG2 THR 8 3HG2 THR 8 15.639 -4.434 12.523 14 H MET 9 H MET 9 18.499 -6.931 8.007 15 HA MET 9 HA MET 9 17.051 -4.886 6.538 16 1HB MET 9 1HB MET 9 19.104 -3.780 7.318 17 2HB MET 9 2HB MET 9 20.072 -5.047 6.587 18 1HG MET 9 1HG MET 9 19.213 -4.382 4.376 19 2HG MET 9 2HG MET 9 18.312 -3.077 5.148 20 1HE MET 9 1HE MET 9 20.508 -2.209 7.434 21 2HE MET 9 2HE MET 9 19.530 -1.075 6.506 22 3HE MET 9 3HE MET 9 21.276 -0.869 6.581 23 H GLY 10 H GLY 10 16.025 -6.399 5.383 24 1HA GLY 10 1HA GLY 10 17.653 -7.791 3.405 25 2HA GLY 10 2HA GLY 10 16.433 -8.695 4.304 26 H ASN 11 H ASN 11 14.365 -8.521 3.771 27 HA ASN 11 HA ASN 11 13.665 -6.461 1.821 28 1HB ASN 11 1HB ASN 11 12.686 -9.335 1.796 29 2HB ASN 11 2HB ASN 11 12.042 -8.049 0.782 30 1HD2 ASN 11 1HD2 ASN 11 13.372 -7.193 -0.853 31 2HD2 ASN 11 2HD2 ASN 11 14.736 -8.093 -1.449 32 H VAL 12 H VAL 12 12.649 -5.116 3.045 33 HA VAL 12 HA VAL 12 10.751 -6.232 4.927 34 HB VAL 12 HB VAL 12 12.420 -3.734 5.252 35 1HG1 VAL 12 1HG1 VAL 12 11.241 -3.441 7.401 36 2HG1 VAL 12 2HG1 VAL 12 10.254 -4.864 7.043 37 3HG1 VAL 12 3HG1 VAL 12 10.090 -3.421 6.056 38 1HG2 VAL 12 1HG2 VAL 12 13.263 -4.854 7.239 39 2HG2 VAL 12 2HG2 VAL 12 13.554 -5.854 5.796 40 3HG2 VAL 12 3HG2 VAL 12 12.213 -6.221 6.892 41 H THR 13 H THR 13 8.897 -5.732 4.657 42 HA THR 13 HA THR 13 8.116 -3.387 3.127 43 HB THR 13 HB THR 13 7.147 -6.184 3.259 44 HG1 THR 13 HG1 THR 13 7.112 -5.765 0.864 45 1HG2 THR 13 1HG2 THR 13 5.560 -3.848 2.163 46 2HG2 THR 13 2HG2 THR 13 5.177 -4.789 3.608 47 3HG2 THR 13 3HG2 THR 13 5.093 -5.550 2.013 48 H THR 14 H THR 14 7.081 -2.027 4.240 49 HA THR 14 HA THR 14 6.580 -2.629 7.006 50 HB THR 14 HB THR 14 6.411 -0.037 5.528 51 HG1 THR 14 HG1 THR 14 8.541 -0.915 5.383 52 1HG2 THR 14 1HG2 THR 14 6.743 -0.679 8.480 53 2HG2 THR 14 2HG2 THR 14 5.316 0.017 7.722 54 3HG2 THR 14 3HG2 THR 14 6.813 0.954 7.810 55 H VAL 15 H VAL 15 4.638 -2.461 7.903 56 HA VAL 15 HA VAL 15 2.328 -2.178 6.141 57 HB VAL 15 HB VAL 15 2.822 -4.022 8.453 58 1HG1 VAL 15 1HG1 VAL 15 0.227 -3.485 6.991 59 2HG1 VAL 15 2HG1 VAL 15 0.581 -3.102 8.685 60 3HG1 VAL 15 3HG1 VAL 15 0.514 -4.788 8.151 61 1HG2 VAL 15 1HG2 VAL 15 2.083 -4.416 5.602 62 2HG2 VAL 15 2HG2 VAL 15 2.177 -5.732 6.771 63 3HG2 VAL 15 3HG2 VAL 15 3.650 -4.786 6.336 64 H LEU 16 H LEU 16 0.833 -0.783 6.794 65 HA LEU 16 HA LEU 16 1.015 0.051 9.544 66 1HB LEU 16 1HB LEU 16 1.700 1.829 7.970 67 2HB LEU 16 2HB LEU 16 0.109 1.733 7.230 68 HG LEU 16 HG LEU 16 -0.832 2.197 9.523 69 1HD1 LEU 16 1HD1 LEU 16 1.152 1.701 10.809 70 2HD1 LEU 16 2HD1 LEU 16 0.593 3.342 11.076 71 3HD1 LEU 16 3HD1 LEU 16 1.990 3.050 10.041 72 1HD2 LEU 16 1HD2 LEU 16 -0.540 4.516 9.333 73 2HD2 LEU 16 2HD2 LEU 16 -0.788 3.741 7.738 74 3HD2 LEU 16 3HD2 LEU 16 0.837 4.287 8.223 75 H ILE 17 H ILE 17 -0.604 -0.753 10.513 76 HA ILE 17 HA ILE 17 -3.081 -1.301 9.036 77 HB ILE 17 HB ILE 17 -1.583 -2.824 10.918 78 1HG1 ILE 17 1HG1 ILE 17 -3.079 -3.665 9.128 79 2HG1 ILE 17 2HG1 ILE 17 -3.282 -4.490 10.667 80 1HG2 ILE 17 1HG2 ILE 17 -4.196 -2.058 12.142 81 2HG2 ILE 17 2HG2 ILE 17 -2.664 -1.402 12.663 82 3HG2 ILE 17 3HG2 ILE 17 -2.985 -3.149 12.838 83 1HD1 ILE 17 1HD1 ILE 17 -5.057 -2.334 9.569 84 2HD1 ILE 17 2HD1 ILE 17 -5.276 -3.158 11.115 85 3HD1 ILE 17 3HD1 ILE 17 -5.421 -4.062 9.602 86 H ARG 18 H ARG 18 -4.923 -0.308 9.582 87 HA ARG 18 HA ARG 18 -4.689 1.923 11.462 88 1HB ARG 18 1HB ARG 18 -6.043 1.599 8.829 89 2HB ARG 18 2HB ARG 18 -6.860 2.546 10.067 90 1HG ARG 18 1HG ARG 18 -5.527 3.900 8.473 91 2HG ARG 18 2HG ARG 18 -5.102 4.127 10.158 92 1HD ARG 18 1HD ARG 18 -3.127 4.083 8.734 93 2HD ARG 18 2HD ARG 18 -3.126 2.767 9.882 94 HE ARG 18 HE ARG 18 -3.013 1.323 8.167 95 1HH1 ARG 18 1HH1 ARG 18 -4.582 4.195 6.749 96 2HH1 ARG 18 2HH1 ARG 18 -4.170 3.770 5.158 97 1HH2 ARG 18 1HH2 ARG 18 -2.392 0.824 5.977 98 2HH2 ARG 18 2HH2 ARG 18 -2.888 1.830 4.696 99 H ARG 19 H ARG 19 -5.568 1.358 13.275 100 HA ARG 19 HA ARG 19 -7.948 -0.329 13.134 101 1HB ARG 19 1HB ARG 19 -6.028 -1.445 14.077 102 2HB ARG 19 2HB ARG 19 -5.869 -0.171 15.277 103 1HG ARG 19 1HG ARG 19 -7.855 -0.762 16.320 104 2HG ARG 19 2HG ARG 19 -8.318 -1.885 15.024 105 1HD ARG 19 1HD ARG 19 -6.179 -3.135 15.612 106 2HD ARG 19 2HD ARG 19 -6.126 -2.135 17.068 107 HE ARG 19 HE ARG 19 -8.633 -3.319 16.689 108 1HH1 ARG 19 1HH1 ARG 19 -5.461 -3.792 18.116 109 2HH1 ARG 19 2HH1 ARG 19 -5.856 -5.194 18.955 110 1HH2 ARG 19 1HH2 ARG 19 -9.228 -5.278 17.800 111 2HH2 ARG 19 2HH2 ARG 19 -8.098 -6.062 18.822 112 HA PRO 20 HA PRO 20 -9.914 3.405 14.857 113 1HB PRO 20 1HB PRO 20 -12.173 1.447 14.869 114 2HB PRO 20 2HB PRO 20 -12.141 3.123 14.299 115 1HG PRO 20 1HG PRO 20 -12.102 1.173 12.533 116 2HG PRO 20 2HG PRO 20 -11.028 2.567 12.326 117 1HD PRO 20 1HD PRO 20 -10.379 -0.182 13.344 118 2HD PRO 20 2HD PRO 20 -9.468 0.856 12.221 119 H ASP 21 H ASP 21 -10.332 0.097 16.163 120 HA ASP 21 HA ASP 21 -9.733 0.806 18.806 121 1HB ASP 21 1HB ASP 21 -12.058 1.854 18.634 122 2HB ASP 21 2HB ASP 21 -12.686 0.230 18.337 123 H LEU 22 H LEU 22 -10.911 -1.201 20.182 124 HA LEU 22 HA LEU 22 -9.537 -3.511 19.157 125 1HB LEU 22 1HB LEU 22 -11.075 -3.056 21.679 126 2HB LEU 22 2HB LEU 22 -9.994 -4.400 21.349 127 HG LEU 22 HG LEU 22 -9.234 -1.507 21.567 128 1HD1 LEU 22 1HD1 LEU 22 -8.642 -3.910 23.248 129 2HD1 LEU 22 2HD1 LEU 22 -9.716 -2.572 23.693 130 3HD1 LEU 22 3HD1 LEU 22 -7.964 -2.304 23.530 131 1HD2 LEU 22 1HD2 LEU 22 -7.920 -2.612 19.900 132 2HD2 LEU 22 2HD2 LEU 22 -7.502 -3.921 20.997 133 3HD2 LEU 22 3HD2 LEU 22 -6.891 -2.289 21.283 134 H ARG 23 H ARG 23 -12.606 -2.205 19.139 135 HA ARG 23 HA ARG 23 -14.197 -4.586 18.999 136 1HB ARG 23 1HB ARG 23 -14.806 -1.849 17.858 137 2HB ARG 23 2HB ARG 23 -15.970 -3.102 18.289 138 1HG ARG 23 1HG ARG 23 -15.439 -2.869 20.618 139 2HG ARG 23 2HG ARG 23 -14.144 -1.738 20.249 140 1HD ARG 23 1HD ARG 23 -15.938 -0.304 19.174 141 2HD ARG 23 2HD ARG 23 -17.101 -1.349 19.994 142 HE ARG 23 HE ARG 23 -15.380 -0.641 21.951 143 1HH1 ARG 23 1HH1 ARG 23 -17.459 1.182 19.731 144 2HH1 ARG 23 2HH1 ARG 23 -17.467 2.599 20.666 145 1HH2 ARG 23 1HH2 ARG 23 -15.384 1.310 23.235 146 2HH2 ARG 23 2HH2 ARG 23 -16.245 2.679 22.663 147 H TYR 24 H TYR 24 -12.053 -2.984 16.962 148 HA TYR 24 HA TYR 24 -12.963 -4.388 14.570 149 1HB TYR 24 1HB TYR 24 -11.066 -2.075 15.023 150 2HB TYR 24 2HB TYR 24 -11.094 -2.976 13.521 151 HD1 TYR 24 HD1 TYR 24 -12.396 -2.213 11.808 152 HD2 TYR 24 HD2 TYR 24 -13.395 -1.059 15.781 153 HE1 TYR 24 HE1 TYR 24 -14.118 -0.706 10.925 154 HE2 TYR 24 HE2 TYR 24 -15.128 0.447 14.911 155 HH TYR 24 HH TYR 24 -16.120 0.360 11.614 156 H GLN 25 H GLN 25 -11.610 -5.944 13.806 157 HA GLN 25 HA GLN 25 -9.262 -6.453 15.446 158 1HB GLN 25 1HB GLN 25 -11.121 -8.400 14.109 159 2HB GLN 25 2HB GLN 25 -9.503 -8.860 14.618 160 1HG GLN 25 1HG GLN 25 -10.021 -8.258 16.912 161 2HG GLN 25 2HG GLN 25 -11.635 -7.753 16.422 162 1HE2 GLN 25 1HE2 GLN 25 -9.499 -10.439 16.844 163 2HE2 GLN 25 2HE2 GLN 25 -10.729 -11.663 16.835 164 H LEU 26 H LEU 26 -7.577 -7.646 14.303 165 HA LEU 26 HA LEU 26 -6.482 -5.879 12.431 166 1HB LEU 26 1HB LEU 26 -5.607 -8.748 12.799 167 2HB LEU 26 2HB LEU 26 -4.647 -7.418 12.224 168 HG LEU 26 HG LEU 26 -3.803 -7.850 14.321 169 1HD1 LEU 26 1HD1 LEU 26 -5.713 -5.615 14.810 170 2HD1 LEU 26 2HD1 LEU 26 -4.062 -5.521 14.171 171 3HD1 LEU 26 3HD1 LEU 26 -4.345 -6.056 15.833 172 1HD2 LEU 26 1HD2 LEU 26 -5.502 -9.411 15.117 173 2HD2 LEU 26 2HD2 LEU 26 -6.565 -8.069 15.551 174 3HD2 LEU 26 3HD2 LEU 26 -5.021 -8.275 16.364 175 H GLY 27 H GLY 27 -7.636 -9.207 11.910 176 1HA GLY 27 1HA GLY 27 -8.891 -9.828 10.005 177 2HA GLY 27 2HA GLY 27 -8.213 -8.456 9.137 178 H PHE 28 H PHE 28 -6.018 -10.318 11.023 179 HA PHE 28 HA PHE 28 -5.416 -12.121 8.875 180 1HB PHE 28 1HB PHE 28 -3.110 -11.527 8.563 181 2HB PHE 28 2HB PHE 28 -4.005 -10.033 8.426 182 HD1 PHE 28 HD1 PHE 28 -3.857 -8.346 10.265 183 HD2 PHE 28 HD2 PHE 28 -1.470 -11.868 10.264 184 HE1 PHE 28 HE1 PHE 28 -2.340 -7.320 11.904 185 HE2 PHE 28 HE2 PHE 28 0.044 -10.845 11.918 186 HZ PHE 28 HZ PHE 28 -0.389 -8.570 12.730 187 H SER 29 H SER 29 -3.785 -13.701 9.573 188 HA SER 29 HA SER 29 -3.891 -14.107 12.486 189 1HB SER 29 1HB SER 29 -3.990 -16.195 10.323 190 2HB SER 29 2HB SER 29 -4.119 -16.486 12.057 191 HG SER 29 HG SER 29 -5.990 -14.973 11.893 192 H VAL 30 H VAL 30 -1.936 -14.461 13.394 193 HA VAL 30 HA VAL 30 0.288 -14.851 11.542 194 HB VAL 30 HB VAL 30 -0.046 -12.624 12.970 195 1HG1 VAL 30 1HG1 VAL 30 1.501 -14.279 14.883 196 2HG1 VAL 30 2HG1 VAL 30 -0.147 -13.671 15.142 197 3HG1 VAL 30 3HG1 VAL 30 1.216 -12.541 15.016 198 1HG2 VAL 30 1HG2 VAL 30 1.758 -12.924 11.443 199 2HG2 VAL 30 2HG2 VAL 30 2.618 -13.940 12.596 200 3HG2 VAL 30 3HG2 VAL 30 2.367 -12.227 12.942 201 H GLN 31 H GLN 31 1.664 -16.488 11.973 202 HA GLN 31 HA GLN 31 1.294 -17.955 14.471 203 1HB GLN 31 1HB GLN 31 1.722 -19.040 11.698 204 2HB GLN 31 2HB GLN 31 2.040 -19.988 13.142 205 1HG GLN 31 1HG GLN 31 -0.336 -19.620 13.809 206 2HG GLN 31 2HG GLN 31 -0.589 -18.864 12.231 207 1HE2 GLN 31 1HE2 GLN 31 0.236 -21.782 13.872 208 2HE2 GLN 31 2HE2 GLN 31 -0.114 -22.872 12.584 209 H ASN 32 H ASN 32 2.931 -17.835 15.657 210 HA ASN 32 HA ASN 32 5.002 -17.600 16.497 211 1HB ASN 32 1HB ASN 32 5.752 -18.997 13.920 212 2HB ASN 32 2HB ASN 32 6.892 -18.739 15.245 213 1HD2 ASN 32 1HD2 ASN 32 6.080 -21.193 14.080 214 2HD2 ASN 32 2HD2 ASN 32 5.297 -22.155 15.269 215 H GLY 33 H GLY 33 3.920 -15.550 14.528 216 1HA GLY 33 1HA GLY 33 4.823 -13.324 14.390 217 2HA GLY 33 2HA GLY 33 6.431 -14.027 14.290 218 H ILE 34 H ILE 34 4.401 -15.831 12.433 219 HA ILE 34 HA ILE 34 5.055 -14.259 10.031 220 HB ILE 34 HB ILE 34 4.969 -17.303 10.220 221 1HG1 ILE 34 1HG1 ILE 34 7.349 -17.120 9.289 222 2HG1 ILE 34 2HG1 ILE 34 7.271 -15.409 9.666 223 1HG2 ILE 34 1HG2 ILE 34 5.387 -15.551 7.813 224 2HG2 ILE 34 2HG2 ILE 34 3.988 -16.581 8.126 225 3HG2 ILE 34 3HG2 ILE 34 5.573 -17.308 7.826 226 1HD1 ILE 34 1HD1 ILE 34 7.107 -17.677 11.643 227 2HD1 ILE 34 2HD1 ILE 34 7.030 -15.956 12.034 228 3HD1 ILE 34 3HD1 ILE 34 8.498 -16.635 11.331 229 H ILE 35 H ILE 35 3.447 -13.605 8.944 230 HA ILE 35 HA ILE 35 0.763 -14.026 9.639 231 HB ILE 35 HB ILE 35 1.954 -12.943 7.085 232 1HG1 ILE 35 1HG1 ILE 35 0.904 -11.406 9.452 233 2HG1 ILE 35 2HG1 ILE 35 2.580 -11.927 9.362 234 1HG2 ILE 35 1HG2 ILE 35 -0.419 -13.552 6.812 235 2HG2 ILE 35 2HG2 ILE 35 -0.247 -11.803 6.840 236 3HG2 ILE 35 3HG2 ILE 35 -0.836 -12.659 8.268 237 1HD1 ILE 35 1HD1 ILE 35 2.985 -10.580 7.502 238 2HD1 ILE 35 2HD1 ILE 35 2.045 -9.571 8.627 239 3HD1 ILE 35 3HD1 ILE 35 1.273 -10.350 7.228 240 H CYS 36 H CYS 36 -0.438 -15.750 9.219 241 HA CYS 36 HA CYS 36 0.433 -17.549 7.072 242 1HB CYS 36 1HB CYS 36 0.602 -18.380 9.410 243 2HB CYS 36 2HB CYS 36 -1.141 -18.223 9.555 244 HG CYS 36 HG CYS 36 -0.429 -20.854 9.320 245 H SER 37 H SER 37 -2.122 -15.493 8.085 246 HA SER 37 HA SER 37 -3.657 -16.267 5.800 247 1HB SER 37 1HB SER 37 -4.524 -17.815 7.558 248 2HB SER 37 2HB SER 37 -4.913 -16.421 8.563 249 HG SER 37 HG SER 37 -6.550 -17.485 7.062 250 H LEU 38 H LEU 38 -5.264 -14.701 5.310 251 HA LEU 38 HA LEU 38 -5.277 -12.179 6.748 252 1HB LEU 38 1HB LEU 38 -3.419 -11.963 5.147 253 2HB LEU 38 2HB LEU 38 -4.453 -12.517 3.850 254 HG LEU 38 HG LEU 38 -5.816 -10.457 4.100 255 1HD1 LEU 38 1HD1 LEU 38 -5.380 -10.012 6.433 256 2HD1 LEU 38 2HD1 LEU 38 -4.972 -8.621 5.436 257 3HD1 LEU 38 3HD1 LEU 38 -3.691 -9.658 6.068 258 1HD2 LEU 38 1HD2 LEU 38 -4.030 -10.525 2.458 259 2HD2 LEU 38 2HD2 LEU 38 -2.877 -10.008 3.700 260 3HD2 LEU 38 3HD2 LEU 38 -4.149 -8.915 3.182 261 H MET 39 H MET 39 -7.228 -11.060 6.309 262 HA MET 39 HA MET 39 -9.097 -12.554 4.639 263 1HB MET 39 1HB MET 39 -9.791 -12.391 6.994 264 2HB MET 39 2HB MET 39 -9.712 -10.636 6.900 265 1HG MET 39 1HG MET 39 -12.005 -11.498 6.716 266 2HG MET 39 2HG MET 39 -11.500 -10.595 5.287 267 1HE MET 39 1HE MET 39 -13.453 -11.591 3.822 268 2HE MET 39 2HE MET 39 -14.038 -12.449 5.249 269 3HE MET 39 3HE MET 39 -13.827 -13.313 3.727 270 H ARG 40 H ARG 40 -9.549 -11.753 2.797 271 HA ARG 40 HA ARG 40 -8.731 -9.258 1.843 272 1HB ARG 40 1HB ARG 40 -9.081 -11.195 0.400 273 2HB ARG 40 2HB ARG 40 -10.796 -11.191 0.782 274 1HG ARG 40 1HG ARG 40 -9.554 -8.824 -0.588 275 2HG ARG 40 2HG ARG 40 -9.964 -10.267 -1.507 276 1HD ARG 40 1HD ARG 40 -12.277 -10.087 -0.823 277 2HD ARG 40 2HD ARG 40 -11.890 -8.724 0.223 278 HE ARG 40 HE ARG 40 -11.079 -7.880 -2.201 279 1HH1 ARG 40 1HH1 ARG 40 -14.108 -9.471 -1.314 280 2HH1 ARG 40 2HH1 ARG 40 -15.093 -8.385 -2.184 281 1HH2 ARG 40 1HH2 ARG 40 -12.378 -6.496 -3.478 282 2HH2 ARG 40 2HH2 ARG 40 -14.082 -6.680 -3.526 283 H GLY 41 H GLY 41 -9.617 -7.323 1.791 284 1HA GLY 41 1HA GLY 41 -11.351 -5.741 1.827 285 2HA GLY 41 2HA GLY 41 -12.429 -6.963 2.497 286 H GLY 42 H GLY 42 -10.029 -7.609 4.331 287 1HA GLY 42 1HA GLY 42 -11.074 -6.058 6.514 288 2HA GLY 42 2HA GLY 42 -9.847 -7.314 6.609 289 H ILE 43 H ILE 43 -9.673 -4.951 8.014 290 HA ILE 43 HA ILE 43 -8.236 -2.947 6.759 291 HB ILE 43 HB ILE 43 -7.205 -2.718 9.240 292 1HG1 ILE 43 1HG1 ILE 43 -9.914 -4.011 9.645 293 2HG1 ILE 43 2HG1 ILE 43 -8.364 -4.703 10.108 294 1HG2 ILE 43 1HG2 ILE 43 -9.843 -1.702 8.242 295 2HG2 ILE 43 2HG2 ILE 43 -8.239 -0.951 8.113 296 3HG2 ILE 43 3HG2 ILE 43 -9.008 -1.117 9.686 297 1HD1 ILE 43 1HD1 ILE 43 -9.587 -2.183 11.246 298 2HD1 ILE 43 2HD1 ILE 43 -8.039 -2.877 11.719 299 3HD1 ILE 43 3HD1 ILE 43 -9.531 -3.756 12.036 300 H ALA 44 H ALA 44 -7.000 -5.940 8.078 301 HA ALA 44 HA ALA 44 -4.304 -5.217 8.048 302 1HB ALA 44 1HB ALA 44 -3.832 -7.588 8.063 303 2HB ALA 44 2HB ALA 44 -5.490 -7.928 7.561 304 3HB ALA 44 3HB ALA 44 -5.179 -7.212 9.143 305 H GLU 45 H GLU 45 -6.352 -6.534 5.485 306 HA GLU 45 HA GLU 45 -4.288 -6.875 3.578 307 1HB GLU 45 1HB GLU 45 -6.456 -7.927 3.258 308 2HB GLU 45 2HB GLU 45 -7.246 -6.357 3.206 309 1HG GLU 45 1HG GLU 45 -5.961 -5.809 1.177 310 2HG GLU 45 2HG GLU 45 -5.277 -7.431 1.217 311 H ARG 46 H ARG 46 -6.467 -4.313 4.342 312 HA ARG 46 HA ARG 46 -5.539 -2.468 2.365 313 1HB ARG 46 1HB ARG 46 -7.252 -2.205 4.824 314 2HB ARG 46 2HB ARG 46 -6.892 -0.834 3.781 315 1HG ARG 46 1HG ARG 46 -8.278 -1.539 2.143 316 2HG ARG 46 2HG ARG 46 -7.868 -3.234 2.396 317 1HD ARG 46 1HD ARG 46 -10.229 -2.708 2.901 318 2HD ARG 46 2HD ARG 46 -9.356 -3.369 4.276 319 HE ARG 46 HE ARG 46 -9.416 -0.500 4.188 320 1HH1 ARG 46 1HH1 ARG 46 -11.277 -3.397 5.178 321 2HH1 ARG 46 2HH1 ARG 46 -12.004 -2.619 6.508 322 1HH2 ARG 46 1HH2 ARG 46 -10.553 0.558 5.998 323 2HH2 ARG 46 2HH2 ARG 46 -11.649 -0.328 6.945 324 H GLY 47 H GLY 47 -4.319 -3.490 5.321 325 1HA GLY 47 1HA GLY 47 -2.734 -1.133 5.848 326 2HA GLY 47 2HA GLY 47 -2.727 -2.623 6.772 327 H GLY 48 H GLY 48 -2.525 -3.937 3.914 328 1HA GLY 48 1HA GLY 48 -0.835 -4.171 2.296 329 2HA GLY 48 2HA GLY 48 0.260 -3.269 3.328 330 H VAL 49 H VAL 49 -1.555 -5.601 4.961 331 HA VAL 49 HA VAL 49 0.717 -7.150 5.683 332 HB VAL 49 HB VAL 49 -2.247 -7.484 6.072 333 1HG1 VAL 49 1HG1 VAL 49 -1.077 -9.710 6.156 334 2HG1 VAL 49 2HG1 VAL 49 -1.815 -9.242 7.691 335 3HG1 VAL 49 3HG1 VAL 49 -0.080 -9.048 7.463 336 1HG2 VAL 49 1HG2 VAL 49 -1.308 -5.636 7.269 337 2HG2 VAL 49 2HG2 VAL 49 -0.088 -6.699 7.991 338 3HG2 VAL 49 3HG2 VAL 49 -1.789 -6.899 8.401 339 H ARG 50 H ARG 50 1.399 -9.103 4.829 340 HA ARG 50 HA ARG 50 -0.279 -10.488 2.844 341 1HB ARG 50 1HB ARG 50 2.665 -9.895 2.492 342 2HB ARG 50 2HB ARG 50 1.689 -10.932 1.467 343 1HG ARG 50 1HG ARG 50 1.334 -7.988 1.846 344 2HG ARG 50 2HG ARG 50 2.097 -8.783 0.454 345 1HD ARG 50 1HD ARG 50 -0.781 -9.080 1.332 346 2HD ARG 50 2HD ARG 50 -0.226 -8.078 -0.000 347 HE ARG 50 HE ARG 50 -0.094 -11.019 0.092 348 1HH1 ARG 50 1HH1 ARG 50 -0.176 -7.997 -1.786 349 2HH1 ARG 50 2HH1 ARG 50 -0.531 -8.738 -3.265 350 1HH2 ARG 50 1HH2 ARG 50 -0.521 -12.075 -1.982 351 2HH2 ARG 50 2HH2 ARG 50 -0.711 -11.138 -3.389 352 H VAL 51 H VAL 51 0.018 -12.486 2.669 353 HA VAL 51 HA VAL 51 0.749 -13.814 5.111 354 HB VAL 51 HB VAL 51 -0.496 -14.667 2.530 355 1HG1 VAL 51 1HG1 VAL 51 -0.048 -16.339 5.032 356 2HG1 VAL 51 2HG1 VAL 51 0.742 -16.596 3.479 357 3HG1 VAL 51 3HG1 VAL 51 -1.000 -16.856 3.636 358 1HG2 VAL 51 1HG2 VAL 51 -2.503 -14.965 3.878 359 2HG2 VAL 51 2HG2 VAL 51 -1.874 -13.311 3.944 360 3HG2 VAL 51 3HG2 VAL 51 -1.604 -14.421 5.290 361 H GLY 52 H GLY 52 2.345 -15.321 5.347 362 1HA GLY 52 1HA GLY 52 4.284 -16.504 4.784 363 2HA GLY 52 2HA GLY 52 4.171 -15.864 3.140 364 H HIS 53 H HIS 53 3.846 -13.785 5.805 365 HA HIS 53 HA HIS 53 6.534 -12.716 5.349 366 1HB HIS 53 1HB HIS 53 3.923 -11.305 5.641 367 2HB HIS 53 2HB HIS 53 5.368 -10.537 6.273 368 HD1 HIS 53 HD1 HIS 53 5.838 -8.701 4.585 369 HD2 HIS 53 HD2 HIS 53 4.960 -12.358 2.779 370 HE1 HIS 53 HE1 HIS 53 6.208 -8.362 2.132 371 HE2 HIS 53 HE2 HIS 53 5.684 -10.594 1.064 372 H ARG 54 H ARG 54 7.764 -12.372 7.029 373 HA ARG 54 HA ARG 54 6.760 -13.151 9.678 374 1HB ARG 54 1HB ARG 54 8.928 -14.153 8.984 375 2HB ARG 54 2HB ARG 54 9.617 -12.538 8.795 376 1HG ARG 54 1HG ARG 54 9.056 -12.183 11.229 377 2HG ARG 54 2HG ARG 54 8.724 -13.912 11.324 378 1HD ARG 54 1HD ARG 54 11.339 -12.581 10.605 379 2HD ARG 54 2HD ARG 54 10.967 -13.396 12.116 380 HE ARG 54 HE ARG 54 11.738 -14.573 9.590 381 1HH1 ARG 54 1HH1 ARG 54 10.332 -15.265 12.784 382 2HH1 ARG 54 2HH1 ARG 54 10.918 -16.863 12.816 383 1HH2 ARG 54 1HH2 ARG 54 12.469 -16.725 9.638 384 2HH2 ARG 54 2HH2 ARG 54 12.072 -17.750 10.950 385 H ILE 55 H ILE 55 6.144 -11.595 10.993 386 HA ILE 55 HA ILE 55 6.738 -8.859 10.353 387 HB ILE 55 HB ILE 55 5.478 -9.940 12.879 388 1HG1 ILE 55 1HG1 ILE 55 4.143 -9.027 10.319 389 2HG1 ILE 55 2HG1 ILE 55 4.143 -10.667 10.977 390 1HG2 ILE 55 1HG2 ILE 55 5.465 -7.218 11.580 391 2HG2 ILE 55 2HG2 ILE 55 6.301 -7.661 13.067 392 3HG2 ILE 55 3HG2 ILE 55 4.534 -7.655 13.011 393 1HD1 ILE 55 1HD1 ILE 55 2.058 -9.471 11.404 394 2HD1 ILE 55 2HD1 ILE 55 3.031 -8.255 12.279 395 3HD1 ILE 55 3HD1 ILE 55 2.936 -9.911 12.893 396 H ILE 56 H ILE 56 8.438 -7.815 11.045 397 HA ILE 56 HA ILE 56 9.982 -9.079 13.104 398 HB ILE 56 HB ILE 56 11.922 -7.858 12.398 399 1HG1 ILE 56 1HG1 ILE 56 10.222 -6.707 10.185 400 2HG1 ILE 56 2HG1 ILE 56 10.720 -5.812 11.628 401 1HG2 ILE 56 1HG2 ILE 56 10.467 -9.167 10.109 402 2HG2 ILE 56 2HG2 ILE 56 11.460 -9.984 11.314 403 3HG2 ILE 56 3HG2 ILE 56 12.199 -8.854 10.175 404 1HD1 ILE 56 1HD1 ILE 56 12.479 -7.036 9.575 405 2HD1 ILE 56 2HD1 ILE 56 13.003 -6.246 11.056 406 3HD1 ILE 56 3HD1 ILE 56 12.167 -5.296 9.795 407 H GLU 57 H GLU 57 7.904 -6.482 12.732 408 HA GLU 57 HA GLU 57 8.624 -5.480 15.342 409 1HB GLU 57 1HB GLU 57 10.280 -4.335 13.855 410 2HB GLU 57 2HB GLU 57 8.928 -3.667 12.948 411 1HG GLU 57 1HG GLU 57 8.209 -2.467 14.952 412 2HG GLU 57 2HG GLU 57 9.575 -3.141 15.829 413 H ILE 58 H ILE 58 7.022 -4.380 16.248 414 HA ILE 58 HA ILE 58 4.680 -3.597 14.680 415 HB ILE 58 HB ILE 58 4.628 -5.374 17.120 416 1HG1 ILE 58 1HG1 ILE 58 3.423 -5.974 14.424 417 2HG1 ILE 58 2HG1 ILE 58 5.060 -6.449 14.866 418 1HG2 ILE 58 1HG2 ILE 58 2.317 -4.105 15.607 419 2HG2 ILE 58 2HG2 ILE 58 2.849 -3.679 17.218 420 3HG2 ILE 58 3HG2 ILE 58 2.144 -5.271 16.922 421 1HD1 ILE 58 1HD1 ILE 58 2.538 -7.293 16.274 422 2HD1 ILE 58 2HD1 ILE 58 4.208 -7.708 16.695 423 3HD1 ILE 58 3HD1 ILE 58 3.534 -8.273 15.175 424 H ASN 59 H ASN 59 4.285 -1.621 15.295 425 HA ASN 59 HA ASN 59 3.801 0.224 16.555 426 1HB ASN 59 1HB ASN 59 2.425 -1.572 17.742 427 2HB ASN 59 2HB ASN 59 3.711 -1.661 18.927 428 1HD2 ASN 59 1HD2 ASN 59 1.158 0.232 17.631 429 2HD2 ASN 59 2HD2 ASN 59 0.935 1.321 18.942 430 H GLY 60 H GLY 60 6.662 -0.789 16.383 431 1HA GLY 60 1HA GLY 60 8.523 0.603 16.936 432 2HA GLY 60 2HA GLY 60 7.724 1.011 18.445 433 H GLN 61 H GLN 61 7.375 -2.252 18.107 434 HA GLN 61 HA GLN 61 9.936 -2.704 19.441 435 1HB GLN 61 1HB GLN 61 8.873 -4.437 20.847 436 2HB GLN 61 2HB GLN 61 8.232 -2.834 21.157 437 1HG GLN 61 1HG GLN 61 6.236 -3.350 19.924 438 2HG GLN 61 2HG GLN 61 6.887 -4.914 19.445 439 1HE2 GLN 61 1HE2 GLN 61 5.597 -3.028 22.059 440 2HE2 GLN 61 2HE2 GLN 61 5.294 -4.367 23.109 441 H SER 62 H SER 62 11.156 -4.262 18.790 442 HA SER 62 HA SER 62 10.453 -5.536 16.334 443 1HB SER 62 1HB SER 62 12.845 -5.966 18.153 444 2HB SER 62 2HB SER 62 12.709 -6.460 16.464 445 HG SER 62 HG SER 62 12.382 -3.732 17.179 446 H VAL 63 H VAL 63 9.039 -7.230 16.372 447 HA VAL 63 HA VAL 63 8.837 -8.770 18.826 448 HB VAL 63 HB VAL 63 6.638 -9.379 18.020 449 1HG1 VAL 63 1HG1 VAL 63 7.177 -6.411 17.764 450 2HG1 VAL 63 2HG1 VAL 63 6.876 -7.280 19.261 451 3HG1 VAL 63 3HG1 VAL 63 5.593 -7.130 18.061 452 1HG2 VAL 63 1HG2 VAL 63 5.755 -8.498 15.921 453 2HG2 VAL 63 2HG2 VAL 63 7.191 -9.479 15.634 454 3HG2 VAL 63 3HG2 VAL 63 7.303 -7.717 15.590 455 H VAL 64 H VAL 64 10.652 -8.915 16.423 456 HA VAL 64 HA VAL 64 10.085 -11.284 15.029 457 HB VAL 64 HB VAL 64 11.584 -9.315 14.437 458 1HG1 VAL 64 1HG1 VAL 64 13.588 -10.865 15.990 459 2HG1 VAL 64 2HG1 VAL 64 13.006 -9.231 16.292 460 3HG1 VAL 64 3HG1 VAL 64 13.970 -9.574 14.843 461 1HG2 VAL 64 1HG2 VAL 64 11.244 -11.083 13.008 462 2HG2 VAL 64 2HG2 VAL 64 12.406 -12.131 13.849 463 3HG2 VAL 64 3HG2 VAL 64 12.963 -10.689 12.957 464 H ALA 65 H ALA 65 11.407 -10.720 18.105 465 HA ALA 65 HA ALA 65 12.174 -13.546 18.345 466 1HB ALA 65 1HB ALA 65 13.237 -11.156 19.846 467 2HB ALA 65 2HB ALA 65 14.066 -12.016 18.554 468 3HB ALA 65 3HB ALA 65 13.743 -12.835 20.092 469 H THR 66 H THR 66 9.625 -11.806 18.805 470 HA THR 66 HA THR 66 9.149 -12.180 21.610 471 HB THR 66 HB THR 66 7.687 -10.791 19.332 472 HG1 THR 66 HG1 THR 66 9.741 -10.143 20.983 473 1HG2 THR 66 1HG2 THR 66 7.202 -10.578 22.311 474 2HG2 THR 66 2HG2 THR 66 6.173 -11.435 21.157 475 3HG2 THR 66 3HG2 THR 66 6.369 -9.696 21.025 476 HA PRO 67 HA PRO 67 6.973 -15.958 20.474 477 1HB PRO 67 1HB PRO 67 5.676 -16.436 22.797 478 2HB PRO 67 2HB PRO 67 7.415 -16.676 22.622 479 1HG PRO 67 1HG PRO 67 5.936 -14.366 23.812 480 2HG PRO 67 2HG PRO 67 7.382 -15.192 24.418 481 1HD PRO 67 1HD PRO 67 7.483 -12.832 23.080 482 2HD PRO 67 2HD PRO 67 8.782 -14.034 23.007 483 H HIS 68 H HIS 68 4.834 -16.813 20.289 484 HA HIS 68 HA HIS 68 2.975 -15.406 18.934 485 1HB HIS 68 1HB HIS 68 2.945 -17.829 19.024 486 2HB HIS 68 2HB HIS 68 2.551 -17.814 20.734 487 HD1 HIS 68 HD1 HIS 68 1.022 -18.388 17.574 488 HD2 HIS 68 HD2 HIS 68 -0.226 -16.580 21.099 489 HE1 HIS 68 HE1 HIS 68 -1.489 -18.301 17.452 490 HE2 HIS 68 HE2 HIS 68 -2.183 -17.499 19.745 491 H GLU 69 H GLU 69 2.756 -16.115 22.403 492 HA GLU 69 HA GLU 69 0.261 -15.012 22.854 493 1HB GLU 69 1HB GLU 69 1.415 -16.440 24.415 494 2HB GLU 69 2HB GLU 69 2.620 -15.164 24.659 495 1HG GLU 69 1HG GLU 69 0.889 -13.714 25.598 496 2HG GLU 69 2HG GLU 69 -0.285 -15.006 25.387 497 H LYS 70 H LYS 70 3.442 -13.557 23.092 498 HA LYS 70 HA LYS 70 2.554 -11.069 24.082 499 1HB LYS 70 1HB LYS 70 5.110 -12.144 23.039 500 2HB LYS 70 2HB LYS 70 4.898 -10.426 22.918 501 1HG LYS 70 1HG LYS 70 6.041 -11.074 24.960 502 2HG LYS 70 2HG LYS 70 4.527 -10.232 25.281 503 1HD LYS 70 1HD LYS 70 3.463 -12.482 25.547 504 2HD LYS 70 2HD LYS 70 5.089 -13.171 25.476 505 1HE LYS 70 1HE LYS 70 5.752 -11.751 27.310 506 2HE LYS 70 2HE LYS 70 4.119 -11.091 27.346 507 1HZ LYS 70 1HZ LYS 70 4.735 -13.986 27.753 508 2HZ LYS 70 2HZ LYS 70 3.235 -13.276 27.929 509 3HZ LYS 70 3HZ LYS 70 4.438 -12.949 29.039 510 H ILE 71 H ILE 71 3.640 -12.082 20.910 511 HA ILE 71 HA ILE 71 3.218 -9.734 19.537 512 HB ILE 71 HB ILE 71 2.772 -12.545 18.449 513 1HG1 ILE 71 1HG1 ILE 71 5.262 -10.831 18.506 514 2HG1 ILE 71 2HG1 ILE 71 4.984 -12.285 19.456 515 1HG2 ILE 71 1HG2 ILE 71 3.472 -9.989 17.036 516 2HG2 ILE 71 2HG2 ILE 71 1.884 -10.784 16.975 517 3HG2 ILE 71 3HG2 ILE 71 3.315 -11.574 16.277 518 1HD1 ILE 71 1HD1 ILE 71 5.182 -12.154 16.454 519 2HD1 ILE 71 2HD1 ILE 71 4.926 -13.617 17.413 520 3HD1 ILE 71 3HD1 ILE 71 6.436 -12.714 17.562 521 H VAL 72 H VAL 72 0.933 -12.302 20.315 522 HA VAL 72 HA VAL 72 -1.204 -11.115 18.858 523 HB VAL 72 HB VAL 72 -1.178 -13.332 20.929 524 1HG1 VAL 72 1HG1 VAL 72 -3.511 -12.381 19.260 525 2HG1 VAL 72 2HG1 VAL 72 -3.333 -12.199 21.010 526 3HG1 VAL 72 3HG1 VAL 72 -3.470 -13.812 20.304 527 1HG2 VAL 72 1HG2 VAL 72 -0.126 -13.834 18.806 528 2HG2 VAL 72 2HG2 VAL 72 -1.577 -13.327 17.946 529 3HG2 VAL 72 3HG2 VAL 72 -1.621 -14.751 18.997 530 H HIS 73 H HIS 73 -0.236 -11.078 22.263 531 HA HIS 73 HA HIS 73 -2.566 -9.788 23.263 532 1HB HIS 73 1HB HIS 73 -1.113 -10.998 24.789 533 2HB HIS 73 2HB HIS 73 0.251 -9.975 24.364 534 HD1 HIS 73 HD1 HIS 73 -2.941 -9.968 26.450 535 HD2 HIS 73 HD2 HIS 73 0.430 -7.608 25.810 536 HE1 HIS 73 HE1 HIS 73 -2.955 -8.256 28.251 537 HE2 HIS 73 HE2 HIS 73 -0.883 -6.887 27.902 538 H ILE 74 H ILE 74 0.541 -8.634 22.153 539 HA ILE 74 HA ILE 74 0.096 -5.966 22.821 540 HB ILE 74 HB ILE 74 2.095 -7.349 21.030 541 1HG1 ILE 74 1HG1 ILE 74 2.709 -6.007 23.614 542 2HG1 ILE 74 2HG1 ILE 74 1.795 -7.505 23.685 543 1HG2 ILE 74 1HG2 ILE 74 3.355 -5.258 21.043 544 2HG2 ILE 74 2HG2 ILE 74 2.076 -4.484 21.989 545 3HG2 ILE 74 3HG2 ILE 74 1.757 -4.989 20.329 546 1HD1 ILE 74 1HD1 ILE 74 4.541 -7.104 22.528 547 2HD1 ILE 74 2HD1 ILE 74 3.513 -8.537 22.341 548 3HD1 ILE 74 3HD1 ILE 74 4.055 -8.090 23.950 549 H LEU 75 H LEU 75 -0.228 -7.817 19.801 550 HA LEU 75 HA LEU 75 -1.204 -5.692 18.194 551 1HB LEU 75 1HB LEU 75 -1.737 -8.654 18.042 552 2HB LEU 75 2HB LEU 75 -2.431 -7.527 16.897 553 HG LEU 75 HG LEU 75 0.518 -7.978 17.323 554 1HD1 LEU 75 1HD1 LEU 75 -1.314 -8.899 15.113 555 2HD1 LEU 75 2HD1 LEU 75 -0.570 -9.925 16.343 556 3HD1 LEU 75 3HD1 LEU 75 0.437 -9.100 15.157 557 1HD2 LEU 75 1HD2 LEU 75 -0.018 -5.705 16.546 558 2HD2 LEU 75 2HD2 LEU 75 -0.998 -6.381 15.254 559 3HD2 LEU 75 3HD2 LEU 75 0.743 -6.642 15.259 560 H SER 76 H SER 76 -2.920 -8.010 20.167 561 HA SER 76 HA SER 76 -5.517 -7.172 19.679 562 1HB SER 76 1HB SER 76 -4.883 -9.322 20.782 563 2HB SER 76 2HB SER 76 -4.451 -8.420 22.227 564 HG SER 76 HG SER 76 -6.975 -8.092 21.093 565 H ASN 77 H ASN 77 -3.105 -5.779 21.796 566 HA ASN 77 HA ASN 77 -5.093 -4.110 23.098 567 1HB ASN 77 1HB ASN 77 -2.090 -4.131 23.354 568 2HB ASN 77 2HB ASN 77 -3.132 -3.015 24.212 569 1HD2 ASN 77 1HD2 ASN 77 -5.181 -5.194 24.644 570 2HD2 ASN 77 2HD2 ASN 77 -4.484 -6.149 25.886 571 H ALA 78 H ALA 78 -2.696 -3.785 20.570 572 HA ALA 78 HA ALA 78 -2.791 -0.950 20.688 573 1HB ALA 78 1HB ALA 78 -1.118 -0.974 18.883 574 2HB ALA 78 2HB ALA 78 -1.405 -2.686 18.619 575 3HB ALA 78 3HB ALA 78 -0.684 -2.149 20.120 576 H VAL 79 H VAL 79 -3.734 0.478 19.482 577 HA VAL 79 HA VAL 79 -5.241 -0.391 17.141 578 HB VAL 79 HB VAL 79 -7.244 0.578 17.728 579 1HG1 VAL 79 1HG1 VAL 79 -6.246 0.019 20.424 580 2HG1 VAL 79 2HG1 VAL 79 -6.947 -1.080 19.240 581 3HG1 VAL 79 3HG1 VAL 79 -7.931 0.218 19.921 582 1HG2 VAL 79 1HG2 VAL 79 -5.919 2.533 19.595 583 2HG2 VAL 79 2HG2 VAL 79 -7.660 2.410 19.204 584 3HG2 VAL 79 3HG2 VAL 79 -6.497 2.812 17.937 585 H GLY 80 H GLY 80 -5.925 1.814 15.930 586 1HA GLY 80 1HA GLY 80 -5.396 3.885 15.148 587 2HA GLY 80 2HA GLY 80 -4.014 3.951 16.250 588 H GLU 81 H GLU 81 -2.820 4.753 14.508 589 HA GLU 81 HA GLU 81 -2.230 3.111 12.254 590 1HB GLU 81 1HB GLU 81 -0.760 5.458 13.469 591 2HB GLU 81 2HB GLU 81 -0.321 4.731 11.942 592 1HG GLU 81 1HG GLU 81 -2.506 5.306 11.060 593 2HG GLU 81 2HG GLU 81 -2.905 6.105 12.585 594 H ILE 82 H ILE 82 -1.293 1.259 12.520 595 HA ILE 82 HA ILE 82 0.742 0.966 14.650 596 HB ILE 82 HB ILE 82 -0.955 -1.232 13.433 597 1HG1 ILE 82 1HG1 ILE 82 -1.182 0.009 16.184 598 2HG1 ILE 82 2HG1 ILE 82 -2.208 0.466 14.828 599 1HG2 ILE 82 1HG2 ILE 82 0.916 -1.234 15.810 600 2HG2 ILE 82 2HG2 ILE 82 1.230 -1.996 14.256 601 3HG2 ILE 82 3HG2 ILE 82 -0.077 -2.596 15.279 602 1HD1 ILE 82 1HD1 ILE 82 -2.031 -2.291 16.019 603 2HD1 ILE 82 2HD1 ILE 82 -3.126 -1.743 14.732 604 3HD1 ILE 82 3HD1 ILE 82 -3.284 -1.089 16.353 605 H HIS 83 H HIS 83 2.626 0.842 13.978 606 HA HIS 83 HA HIS 83 3.346 0.290 11.193 607 1HB HIS 83 1HB HIS 83 4.905 1.113 13.639 608 2HB HIS 83 2HB HIS 83 5.695 0.594 12.170 609 HD1 HIS 83 HD1 HIS 83 6.676 2.553 11.231 610 HD2 HIS 83 HD2 HIS 83 2.878 3.342 12.673 611 HE1 HIS 83 HE1 HIS 83 6.187 4.936 10.576 612 HE2 HIS 83 HE2 HIS 83 3.762 5.165 11.067 613 H MET 84 H MET 84 3.902 -1.634 10.514 614 HA MET 84 HA MET 84 5.314 -3.330 12.415 615 1HB MET 84 1HB MET 84 3.433 -4.324 10.307 616 2HB MET 84 2HB MET 84 4.341 -5.301 11.444 617 1HG MET 84 1HG MET 84 2.960 -4.256 13.262 618 2HG MET 84 2HG MET 84 1.987 -3.526 11.981 619 1HE MET 84 1HE MET 84 2.758 -6.243 10.017 620 2HE MET 84 2HE MET 84 1.444 -5.112 9.861 621 3HE MET 84 3HE MET 84 1.094 -6.863 9.970 622 H LYS 85 H LYS 85 6.839 -4.633 11.373 623 HA LYS 85 HA LYS 85 7.476 -3.765 8.624 624 1HB LYS 85 1HB LYS 85 9.403 -4.335 10.907 625 2HB LYS 85 2HB LYS 85 9.875 -4.001 9.249 626 1HG LYS 85 1HG LYS 85 8.157 -1.917 10.276 627 2HG LYS 85 2HG LYS 85 9.564 -2.152 11.311 628 1HD LYS 85 1HD LYS 85 9.755 -1.893 8.337 629 2HD LYS 85 2HD LYS 85 9.805 -0.472 9.392 630 1HE LYS 85 1HE LYS 85 11.740 -1.543 10.579 631 2HE LYS 85 2HE LYS 85 11.726 -2.819 9.374 632 1HZ LYS 85 1HZ LYS 85 12.161 0.069 8.806 633 2HZ LYS 85 2HZ LYS 85 12.278 -1.170 7.667 634 3HZ LYS 85 3HZ LYS 85 13.379 -1.077 8.928 635 H THR 86 H THR 86 7.407 -5.422 7.316 636 HA THR 86 HA THR 86 7.694 -8.066 8.566 637 HB THR 86 HB THR 86 6.049 -8.980 7.061 638 HG1 THR 86 HG1 THR 86 6.031 -6.362 5.911 639 1HG2 THR 86 1HG2 THR 86 4.951 -6.395 8.205 640 2HG2 THR 86 2HG2 THR 86 5.206 -7.865 9.117 641 3HG2 THR 86 3HG2 THR 86 4.010 -7.831 7.815 642 H MET 87 H MET 87 8.635 -9.738 7.306 643 HA MET 87 HA MET 87 10.145 -8.874 4.914 644 1HB MET 87 1HB MET 87 11.004 -10.925 6.998 645 2HB MET 87 2HB MET 87 11.920 -10.485 5.569 646 1HG MET 87 1HG MET 87 12.065 -8.169 6.511 647 2HG MET 87 2HG MET 87 11.369 -8.826 8.000 648 1HE MET 87 1HE MET 87 12.578 -10.889 9.358 649 2HE MET 87 2HE MET 87 14.186 -11.481 8.958 650 3HE MET 87 3HE MET 87 12.836 -11.803 7.870 651 HA PRO 88 HA PRO 88 8.122 -12.439 3.018 652 1HB PRO 88 1HB PRO 88 10.538 -13.529 1.788 653 2HB PRO 88 2HB PRO 88 9.190 -12.701 1.011 654 1HG PRO 88 1HG PRO 88 11.652 -11.596 1.203 655 2HG PRO 88 2HG PRO 88 10.167 -10.634 1.213 656 1HD PRO 88 1HD PRO 88 11.882 -11.492 3.517 657 2HD PRO 88 2HD PRO 88 11.133 -9.910 3.201 658 H ALA 89 H ALA 89 9.183 -12.834 5.544 659 HA ALA 89 HA ALA 89 9.577 -14.270 7.158 660 1HB ALA 89 1HB ALA 89 7.432 -15.114 6.395 661 2HB ALA 89 2HB ALA 89 8.424 -16.345 7.185 662 3HB ALA 89 3HB ALA 89 8.260 -16.335 5.416 663 H ALA 90 H ALA 90 11.693 -13.751 6.298 664 HA ALA 90 HA ALA 90 13.281 -16.070 5.731 665 1HB ALA 90 1HB ALA 90 15.167 -14.501 6.106 666 2HB ALA 90 2HB ALA 90 14.017 -13.254 6.578 667 3HB ALA 90 3HB ALA 90 14.015 -13.875 4.928 Start of MODEL 4 1 H GLU 7 1H GLU 7 14.883 1.732 9.965 2 HA GLU 7 HA GLU 7 17.633 0.842 9.373 3 1HB GLU 7 1HB GLU 7 15.220 -0.713 10.344 4 2HB GLU 7 2HB GLU 7 16.831 -1.357 10.091 5 1HG GLU 7 1HG GLU 7 17.662 0.125 11.892 6 2HG GLU 7 2HG GLU 7 16.001 0.645 12.174 7 H THR 8 H THR 8 17.941 0.111 7.362 8 HA THR 8 HA THR 8 15.585 -0.475 5.718 9 HB THR 8 HB THR 8 18.272 0.569 4.742 10 HG1 THR 8 HG1 THR 8 16.750 2.008 6.075 11 1HG2 THR 8 1HG2 THR 8 15.584 0.325 3.372 12 2HG2 THR 8 2HG2 THR 8 16.969 -0.730 3.103 13 3HG2 THR 8 3HG2 THR 8 17.057 0.974 2.646 14 H MET 9 H MET 9 15.530 -2.639 5.818 15 HA MET 9 HA MET 9 18.028 -4.165 5.772 16 1HB MET 9 1HB MET 9 15.192 -5.069 6.268 17 2HB MET 9 2HB MET 9 16.613 -6.106 6.337 18 1HG MET 9 1HG MET 9 17.476 -4.860 8.202 19 2HG MET 9 2HG MET 9 16.141 -3.715 8.099 20 1HE MET 9 1HE MET 9 15.518 -4.015 10.635 21 2HE MET 9 2HE MET 9 16.902 -5.089 10.806 22 3HE MET 9 3HE MET 9 15.319 -5.584 11.414 23 H GLY 10 H GLY 10 15.279 -3.388 3.813 24 1HA GLY 10 1HA GLY 10 15.687 -3.572 1.406 25 2HA GLY 10 2HA GLY 10 16.366 -5.167 1.729 26 H ASN 11 H ASN 11 15.008 -6.894 2.157 27 HA ASN 11 HA ASN 11 12.324 -6.548 1.173 28 1HB ASN 11 1HB ASN 11 13.783 -9.010 2.121 29 2HB ASN 11 2HB ASN 11 12.077 -9.028 1.719 30 1HD2 ASN 11 1HD2 ASN 11 15.301 -8.820 0.505 31 2HD2 ASN 11 2HD2 ASN 11 14.868 -9.121 -1.156 32 H VAL 12 H VAL 12 11.479 -5.200 2.524 33 HA VAL 12 HA VAL 12 10.282 -6.375 4.831 34 HB VAL 12 HB VAL 12 11.863 -3.794 4.876 35 1HG1 VAL 12 1HG1 VAL 12 9.872 -4.793 6.911 36 2HG1 VAL 12 2HG1 VAL 12 9.688 -3.364 5.889 37 3HG1 VAL 12 3HG1 VAL 12 10.962 -3.421 7.121 38 1HG2 VAL 12 1HG2 VAL 12 13.133 -5.785 5.488 39 2HG2 VAL 12 2HG2 VAL 12 11.876 -6.150 6.692 40 3HG2 VAL 12 3HG2 VAL 12 12.880 -4.713 6.886 41 H THR 13 H THR 13 8.343 -5.910 4.732 42 HA THR 13 HA THR 13 7.323 -3.727 3.058 43 HB THR 13 HB THR 13 6.199 -6.348 3.979 44 HG1 THR 13 HG1 THR 13 7.669 -5.889 1.866 45 1HG2 THR 13 1HG2 THR 13 4.905 -4.223 2.279 46 2HG2 THR 13 2HG2 THR 13 4.497 -4.651 3.940 47 3HG2 THR 13 3HG2 THR 13 4.201 -5.816 2.636 48 H THR 14 H THR 14 7.105 -2.126 4.367 49 HA THR 14 HA THR 14 6.453 -2.562 7.100 50 HB THR 14 HB THR 14 6.420 -0.058 5.516 51 HG1 THR 14 HG1 THR 14 8.535 -0.754 5.423 52 1HG2 THR 14 1HG2 THR 14 6.583 -0.593 8.492 53 2HG2 THR 14 2HG2 THR 14 5.282 0.223 7.634 54 3HG2 THR 14 3HG2 THR 14 6.864 1.004 7.795 55 H VAL 15 H VAL 15 4.570 -2.475 7.918 56 HA VAL 15 HA VAL 15 2.274 -2.150 6.167 57 HB VAL 15 HB VAL 15 2.791 -3.868 8.558 58 1HG1 VAL 15 1HG1 VAL 15 0.174 -3.382 7.096 59 2HG1 VAL 15 2HG1 VAL 15 0.579 -2.883 8.741 60 3HG1 VAL 15 3HG1 VAL 15 0.431 -4.602 8.354 61 1HG2 VAL 15 1HG2 VAL 15 3.600 -4.769 6.507 62 2HG2 VAL 15 2HG2 VAL 15 2.068 -4.381 5.732 63 3HG2 VAL 15 3HG2 VAL 15 2.117 -5.663 6.951 64 H LEU 16 H LEU 16 0.861 -0.709 6.806 65 HA LEU 16 HA LEU 16 1.207 0.190 9.507 66 1HB LEU 16 1HB LEU 16 1.844 1.961 7.951 67 2HB LEU 16 2HB LEU 16 0.261 1.847 7.190 68 HG LEU 16 HG LEU 16 -0.682 2.341 9.505 69 1HD1 LEU 16 1HD1 LEU 16 2.099 3.357 9.924 70 2HD1 LEU 16 2HD1 LEU 16 1.386 1.963 10.724 71 3HD1 LEU 16 3HD1 LEU 16 0.724 3.573 11.008 72 1HD2 LEU 16 1HD2 LEU 16 -0.749 3.802 7.654 73 2HD2 LEU 16 2HD2 LEU 16 0.873 4.414 8.062 74 3HD2 LEU 16 3HD2 LEU 16 -0.501 4.660 9.189 75 H ILE 17 H ILE 17 -0.305 -0.546 10.584 76 HA ILE 17 HA ILE 17 -2.921 -1.054 9.387 77 HB ILE 17 HB ILE 17 -1.292 -2.268 11.535 78 1HG1 ILE 17 1HG1 ILE 17 -2.151 -3.426 9.515 79 2HG1 ILE 17 2HG1 ILE 17 -2.574 -4.240 11.028 80 1HG2 ILE 17 1HG2 ILE 17 -3.090 -2.826 13.083 81 2HG2 ILE 17 2HG2 ILE 17 -4.223 -1.906 12.092 82 3HG2 ILE 17 3HG2 ILE 17 -2.934 -1.058 12.944 83 1HD1 ILE 17 1HD1 ILE 17 -4.368 -2.536 9.308 84 2HD1 ILE 17 2HD1 ILE 17 -4.764 -3.060 10.920 85 3HD1 ILE 17 3HD1 ILE 17 -4.532 -4.264 9.658 86 H ARG 18 H ARG 18 -4.453 0.317 9.746 87 HA ARG 18 HA ARG 18 -4.118 2.049 12.047 88 1HB ARG 18 1HB ARG 18 -5.543 2.633 9.460 89 2HB ARG 18 2HB ARG 18 -5.560 3.683 10.879 90 1HG ARG 18 1HG ARG 18 -3.173 3.899 10.782 91 2HG ARG 18 2HG ARG 18 -3.115 2.827 9.385 92 1HD ARG 18 1HD ARG 18 -2.929 5.039 8.690 93 2HD ARG 18 2HD ARG 18 -4.522 4.418 8.184 94 HE ARG 18 HE ARG 18 -4.823 5.749 10.601 95 1HH1 ARG 18 1HH1 ARG 18 -4.137 6.433 7.209 96 2HH1 ARG 18 2HH1 ARG 18 -4.404 8.111 7.308 97 1HH2 ARG 18 1HH2 ARG 18 -5.181 8.118 10.783 98 2HH2 ARG 18 2HH2 ARG 18 -4.947 9.075 9.394 99 H ARG 19 H ARG 19 -5.064 1.210 13.413 100 HA ARG 19 HA ARG 19 -7.487 -0.307 12.960 101 1HB ARG 19 1HB ARG 19 -5.746 -1.462 14.072 102 2HB ARG 19 2HB ARG 19 -5.608 -0.188 15.276 103 1HG ARG 19 1HG ARG 19 -7.703 -0.713 16.184 104 2HG ARG 19 2HG ARG 19 -8.071 -1.863 14.885 105 1HD ARG 19 1HD ARG 19 -6.086 -3.173 15.631 106 2HD ARG 19 2HD ARG 19 -5.937 -2.079 17.006 107 HE ARG 19 HE ARG 19 -8.506 -3.203 16.659 108 1HH1 ARG 19 1HH1 ARG 19 -5.413 -3.490 18.293 109 2HH1 ARG 19 2HH1 ARG 19 -5.938 -4.734 19.333 110 1HH2 ARG 19 1HH2 ARG 19 -9.182 -4.935 18.019 111 2HH2 ARG 19 2HH2 ARG 19 -8.134 -5.603 19.179 112 HA PRO 20 HA PRO 20 -9.892 3.146 14.577 113 1HB PRO 20 1HB PRO 20 -11.863 0.948 14.935 114 2HB PRO 20 2HB PRO 20 -12.067 2.525 14.161 115 1HG PRO 20 1HG PRO 20 -11.856 0.361 12.667 116 2HG PRO 20 2HG PRO 20 -11.006 1.843 12.201 117 1HD PRO 20 1HD PRO 20 -9.925 -0.629 13.499 118 2HD PRO 20 2HD PRO 20 -9.227 0.386 12.212 119 H ASP 21 H ASP 21 -10.347 -0.024 16.240 120 HA ASP 21 HA ASP 21 -9.582 0.920 18.793 121 1HB ASP 21 1HB ASP 21 -11.713 0.898 19.928 122 2HB ASP 21 2HB ASP 21 -11.860 2.009 18.574 123 H LEU 22 H LEU 22 -10.632 -0.830 20.441 124 HA LEU 22 HA LEU 22 -9.338 -3.212 19.678 125 1HB LEU 22 1HB LEU 22 -10.955 -2.563 22.092 126 2HB LEU 22 2HB LEU 22 -10.040 -4.045 21.877 127 HG LEU 22 HG LEU 22 -8.994 -1.247 22.060 128 1HD1 LEU 22 1HD1 LEU 22 -8.557 -3.714 23.704 129 2HD1 LEU 22 2HD1 LEU 22 -9.532 -2.308 24.157 130 3HD1 LEU 22 3HD1 LEU 22 -7.779 -2.150 23.982 131 1HD2 LEU 22 1HD2 LEU 22 -7.833 -2.305 20.341 132 2HD2 LEU 22 2HD2 LEU 22 -7.595 -3.778 21.254 133 3HD2 LEU 22 3HD2 LEU 22 -6.735 -2.285 21.719 134 H ARG 23 H ARG 23 -12.572 -2.358 19.185 135 HA ARG 23 HA ARG 23 -13.303 -5.147 19.244 136 1HB ARG 23 1HB ARG 23 -14.955 -2.738 18.486 137 2HB ARG 23 2HB ARG 23 -15.563 -4.387 18.470 138 1HG ARG 23 1HG ARG 23 -14.589 -2.840 20.868 139 2HG ARG 23 2HG ARG 23 -16.257 -3.274 20.500 140 1HD ARG 23 1HD ARG 23 -15.606 -5.683 20.673 141 2HD ARG 23 2HD ARG 23 -13.995 -5.170 21.169 142 HE ARG 23 HE ARG 23 -16.043 -4.019 22.776 143 1HH1 ARG 23 1HH1 ARG 23 -14.037 -6.979 22.403 144 2HH1 ARG 23 2HH1 ARG 23 -14.236 -7.445 24.017 145 1HH2 ARG 23 1HH2 ARG 23 -16.318 -4.781 24.994 146 2HH2 ARG 23 2HH2 ARG 23 -15.559 -6.227 25.494 147 H TYR 24 H TYR 24 -11.801 -3.134 17.096 148 HA TYR 24 HA TYR 24 -12.738 -4.652 14.795 149 1HB TYR 24 1HB TYR 24 -11.130 -2.149 15.125 150 2HB TYR 24 2HB TYR 24 -10.950 -3.098 13.655 151 HD1 TYR 24 HD1 TYR 24 -13.589 -1.550 15.777 152 HD2 TYR 24 HD2 TYR 24 -12.347 -2.705 11.890 153 HE1 TYR 24 HE1 TYR 24 -15.578 -0.487 14.841 154 HE2 TYR 24 HE2 TYR 24 -14.336 -1.647 10.924 155 HH TYR 24 HH TYR 24 -16.413 0.366 12.807 156 H GLN 25 H GLN 25 -11.601 -6.249 14.016 157 HA GLN 25 HA GLN 25 -9.051 -6.604 15.299 158 1HB GLN 25 1HB GLN 25 -9.295 -9.110 14.677 159 2HB GLN 25 2HB GLN 25 -10.148 -8.457 16.059 160 1HG GLN 25 1HG GLN 25 -11.659 -9.840 15.016 161 2HG GLN 25 2HG GLN 25 -12.110 -8.192 14.574 162 1HE2 GLN 25 1HE2 GLN 25 -9.493 -10.010 13.054 163 2HE2 GLN 25 2HE2 GLN 25 -10.288 -10.197 11.535 164 H LEU 26 H LEU 26 -7.490 -7.928 14.177 165 HA LEU 26 HA LEU 26 -6.466 -6.145 12.291 166 1HB LEU 26 1HB LEU 26 -5.412 -8.937 12.651 167 2HB LEU 26 2HB LEU 26 -4.528 -7.490 12.243 168 HG LEU 26 HG LEU 26 -3.817 -7.814 14.376 169 1HD1 LEU 26 1HD1 LEU 26 -6.289 -6.246 14.921 170 2HD1 LEU 26 2HD1 LEU 26 -4.743 -5.590 14.366 171 3HD1 LEU 26 3HD1 LEU 26 -4.875 -6.333 15.973 172 1HD2 LEU 26 1HD2 LEU 26 -5.066 -9.816 14.867 173 2HD2 LEU 26 2HD2 LEU 26 -6.531 -8.893 15.170 174 3HD2 LEU 26 3HD2 LEU 26 -5.147 -8.725 16.246 175 H GLY 27 H GLY 27 -7.482 -9.497 11.881 176 1HA GLY 27 1HA GLY 27 -8.754 -10.185 9.992 177 2HA GLY 27 2HA GLY 27 -8.148 -8.786 9.118 178 H PHE 28 H PHE 28 -5.939 -10.760 10.932 179 HA PHE 28 HA PHE 28 -5.440 -12.434 8.665 180 1HB PHE 28 1HB PHE 28 -3.072 -11.990 8.467 181 2HB PHE 28 2HB PHE 28 -3.906 -10.475 8.272 182 HD1 PHE 28 HD1 PHE 28 -1.494 -12.346 10.191 183 HD2 PHE 28 HD2 PHE 28 -3.806 -8.786 10.124 184 HE1 PHE 28 HE1 PHE 28 0.003 -11.344 11.855 185 HE2 PHE 28 HE2 PHE 28 -2.308 -7.779 11.797 186 HZ PHE 28 HZ PHE 28 -0.402 -9.062 12.660 187 H SER 29 H SER 29 -4.156 -14.223 9.194 188 HA SER 29 HA SER 29 -4.394 -14.920 12.043 189 1HB SER 29 1HB SER 29 -4.098 -16.779 9.675 190 2HB SER 29 2HB SER 29 -4.603 -17.198 11.309 191 HG SER 29 HG SER 29 -6.515 -16.060 11.006 192 H VAL 30 H VAL 30 -2.485 -15.015 13.100 193 HA VAL 30 HA VAL 30 -0.092 -15.398 11.447 194 HB VAL 30 HB VAL 30 -0.618 -13.187 12.899 195 1HG1 VAL 30 1HG1 VAL 30 0.633 -13.106 14.971 196 2HG1 VAL 30 2HG1 VAL 30 1.013 -14.812 14.786 197 3HG1 VAL 30 3HG1 VAL 30 -0.666 -14.317 15.066 198 1HG2 VAL 30 1HG2 VAL 30 1.227 -13.385 11.372 199 2HG2 VAL 30 2HG2 VAL 30 2.121 -14.359 12.539 200 3HG2 VAL 30 3HG2 VAL 30 1.770 -12.667 12.886 201 H GLN 31 H GLN 31 1.355 -16.934 11.998 202 HA GLN 31 HA GLN 31 1.056 -18.248 14.570 203 1HB GLN 31 1HB GLN 31 1.621 -20.435 13.525 204 2HB GLN 31 2HB GLN 31 0.081 -19.811 12.968 205 1HG GLN 31 1HG GLN 31 1.081 -19.148 10.866 206 2HG GLN 31 2HG GLN 31 2.671 -19.630 11.452 207 1HE2 GLN 31 1HE2 GLN 31 3.199 -21.732 11.567 208 2HE2 GLN 31 2HE2 GLN 31 2.286 -23.034 10.913 209 H ASN 32 H ASN 32 2.855 -18.407 15.633 210 HA ASN 32 HA ASN 32 5.006 -17.983 16.319 211 1HB ASN 32 1HB ASN 32 5.665 -18.857 13.497 212 2HB ASN 32 2HB ASN 32 6.858 -18.639 14.766 213 1HD2 ASN 32 1HD2 ASN 32 6.999 -20.168 16.386 214 2HD2 ASN 32 2HD2 ASN 32 6.204 -21.687 16.288 215 H GLY 33 H GLY 33 3.506 -15.885 14.458 216 1HA GLY 33 1HA GLY 33 4.077 -13.571 14.359 217 2HA GLY 33 2HA GLY 33 5.782 -14.026 14.365 218 H ILE 34 H ILE 34 4.085 -16.096 12.403 219 HA ILE 34 HA ILE 34 4.699 -14.505 10.008 220 HB ILE 34 HB ILE 34 4.824 -17.555 10.279 221 1HG1 ILE 34 1HG1 ILE 34 7.199 -17.238 9.439 222 2HG1 ILE 34 2HG1 ILE 34 6.999 -15.518 9.699 223 1HG2 ILE 34 1HG2 ILE 34 5.211 -15.807 7.880 224 2HG2 ILE 34 2HG2 ILE 34 3.866 -16.919 8.144 225 3HG2 ILE 34 3HG2 ILE 34 5.508 -17.546 7.900 226 1HD1 ILE 34 1HD1 ILE 34 6.722 -15.936 12.096 227 2HD1 ILE 34 2HD1 ILE 34 8.259 -16.530 11.472 228 3HD1 ILE 34 3HD1 ILE 34 6.944 -17.666 11.805 229 H ILE 35 H ILE 35 3.225 -14.108 8.707 230 HA ILE 35 HA ILE 35 0.495 -14.445 9.402 231 HB ILE 35 HB ILE 35 1.793 -13.339 6.909 232 1HG1 ILE 35 1HG1 ILE 35 0.659 -11.833 9.255 233 2HG1 ILE 35 2HG1 ILE 35 2.326 -12.388 9.233 234 1HG2 ILE 35 1HG2 ILE 35 -1.030 -13.005 7.985 235 2HG2 ILE 35 2HG2 ILE 35 -0.584 -13.924 6.551 236 3HG2 ILE 35 3HG2 ILE 35 -0.362 -12.179 6.570 237 1HD1 ILE 35 1HD1 ILE 35 1.138 -10.686 7.102 238 2HD1 ILE 35 2HD1 ILE 35 2.852 -11.022 7.415 239 3HD1 ILE 35 3HD1 ILE 35 1.920 -10.031 8.540 240 H CYS 36 H CYS 36 -0.655 -16.200 8.985 241 HA CYS 36 HA CYS 36 0.227 -18.090 6.934 242 1HB CYS 36 1HB CYS 36 -0.025 -18.806 9.292 243 2HB CYS 36 2HB CYS 36 -1.740 -18.447 9.201 244 HG CYS 36 HG CYS 36 -0.803 -21.222 9.068 245 H SER 37 H SER 37 -2.364 -15.876 7.696 246 HA SER 37 HA SER 37 -3.619 -16.395 5.175 247 1HB SER 37 1HB SER 37 -4.664 -18.130 6.629 248 2HB SER 37 2HB SER 37 -5.157 -16.864 7.757 249 HG SER 37 HG SER 37 -6.012 -17.370 5.128 250 H LEU 38 H LEU 38 -5.065 -14.663 4.631 251 HA LEU 38 HA LEU 38 -5.117 -12.388 6.468 252 1HB LEU 38 1HB LEU 38 -3.331 -12.005 4.863 253 2HB LEU 38 2HB LEU 38 -4.395 -12.400 3.533 254 HG LEU 38 HG LEU 38 -5.723 -10.365 4.045 255 1HD1 LEU 38 1HD1 LEU 38 -4.789 -8.684 5.544 256 2HD1 LEU 38 2HD1 LEU 38 -3.511 -9.803 6.001 257 3HD1 LEU 38 3HD1 LEU 38 -5.191 -10.168 6.402 258 1HD2 LEU 38 1HD2 LEU 38 -3.981 -10.310 2.352 259 2HD2 LEU 38 2HD2 LEU 38 -2.796 -9.928 3.612 260 3HD2 LEU 38 3HD2 LEU 38 -4.070 -8.776 3.230 261 H MET 39 H MET 39 -7.060 -11.310 6.418 262 HA MET 39 HA MET 39 -9.149 -12.525 4.816 263 1HB MET 39 1HB MET 39 -9.574 -12.282 7.212 264 2HB MET 39 2HB MET 39 -9.302 -10.545 7.098 265 1HG MET 39 1HG MET 39 -11.679 -11.110 7.201 266 2HG MET 39 2HG MET 39 -11.252 -10.303 5.694 267 1HE MET 39 1HE MET 39 -13.962 -11.932 6.181 268 2HE MET 39 2HE MET 39 -14.100 -12.772 4.632 269 3HE MET 39 3HE MET 39 -13.568 -11.092 4.681 270 H ARG 40 H ARG 40 -9.618 -11.677 2.985 271 HA ARG 40 HA ARG 40 -8.577 -9.251 1.999 272 1HB ARG 40 1HB ARG 40 -9.360 -11.418 0.789 273 2HB ARG 40 2HB ARG 40 -10.959 -10.699 0.874 274 1HG ARG 40 1HG ARG 40 -8.595 -9.395 -0.460 275 2HG ARG 40 2HG ARG 40 -9.769 -10.398 -1.310 276 1HD ARG 40 1HD ARG 40 -10.384 -7.853 0.189 277 2HD ARG 40 2HD ARG 40 -10.104 -7.957 -1.543 278 HE ARG 40 HE ARG 40 -12.259 -9.545 -0.364 279 1HH1 ARG 40 1HH1 ARG 40 -11.273 -6.678 -2.199 280 2HH1 ARG 40 2HH1 ARG 40 -12.743 -6.514 -3.045 281 1HH2 ARG 40 1HH2 ARG 40 -14.331 -9.318 -1.515 282 2HH2 ARG 40 2HH2 ARG 40 -14.520 -8.067 -2.660 283 H GLY 41 H GLY 41 -9.425 -7.264 2.060 284 1HA GLY 41 1HA GLY 41 -11.092 -5.644 2.155 285 2HA GLY 41 2HA GLY 41 -12.239 -6.874 2.670 286 H GLY 42 H GLY 42 -9.699 -7.452 4.541 287 1HA GLY 42 1HA GLY 42 -10.840 -6.021 6.804 288 2HA GLY 42 2HA GLY 42 -9.585 -7.255 6.867 289 H ILE 43 H ILE 43 -9.225 -5.105 8.410 290 HA ILE 43 HA ILE 43 -7.921 -2.962 7.133 291 HB ILE 43 HB ILE 43 -6.743 -2.638 9.443 292 1HG1 ILE 43 1HG1 ILE 43 -9.046 -4.436 10.248 293 2HG1 ILE 43 2HG1 ILE 43 -7.334 -4.759 10.478 294 1HG2 ILE 43 1HG2 ILE 43 -9.630 -2.061 8.976 295 2HG2 ILE 43 2HG2 ILE 43 -8.202 -1.078 8.581 296 3HG2 ILE 43 3HG2 ILE 43 -8.634 -1.361 10.260 297 1HD1 ILE 43 1HD1 ILE 43 -8.912 -2.555 11.816 298 2HD1 ILE 43 2HD1 ILE 43 -7.202 -2.884 12.069 299 3HD1 ILE 43 3HD1 ILE 43 -8.413 -4.064 12.570 300 H ALA 44 H ALA 44 -6.679 -6.000 8.259 301 HA ALA 44 HA ALA 44 -3.959 -5.387 8.190 302 1HB ALA 44 1HB ALA 44 -3.614 -7.779 8.039 303 2HB ALA 44 2HB ALA 44 -5.295 -8.003 7.556 304 3HB ALA 44 3HB ALA 44 -4.917 -7.409 9.167 305 H GLU 45 H GLU 45 -6.093 -6.463 5.613 306 HA GLU 45 HA GLU 45 -4.036 -6.749 3.706 307 1HB GLU 45 1HB GLU 45 -6.234 -7.816 3.460 308 2HB GLU 45 2HB GLU 45 -6.980 -6.234 3.290 309 1HG GLU 45 1HG GLU 45 -5.727 -5.842 1.250 310 2HG GLU 45 2HG GLU 45 -4.942 -7.409 1.425 311 H ARG 46 H ARG 46 -6.190 -4.127 4.551 312 HA ARG 46 HA ARG 46 -5.347 -2.281 2.561 313 1HB ARG 46 1HB ARG 46 -6.491 -1.742 5.308 314 2HB ARG 46 2HB ARG 46 -6.325 -0.553 4.030 315 1HG ARG 46 1HG ARG 46 -7.903 -1.794 2.657 316 2HG ARG 46 2HG ARG 46 -8.046 -3.017 3.924 317 1HD ARG 46 1HD ARG 46 -8.907 -1.340 5.465 318 2HD ARG 46 2HD ARG 46 -8.714 -0.094 4.236 319 HE ARG 46 HE ARG 46 -10.296 -2.031 3.124 320 1HH1 ARG 46 1HH1 ARG 46 -10.470 0.208 5.873 321 2HH1 ARG 46 2HH1 ARG 46 -12.162 0.299 5.903 322 1HH2 ARG 46 1HH2 ARG 46 -12.660 -1.913 3.160 323 2HH2 ARG 46 2HH2 ARG 46 -13.432 -0.886 4.292 324 H GLY 47 H GLY 47 -4.253 -3.058 5.770 325 1HA GLY 47 1HA GLY 47 -2.418 -0.960 6.130 326 2HA GLY 47 2HA GLY 47 -2.402 -2.490 6.980 327 H GLY 48 H GLY 48 -2.179 -4.012 4.467 328 1HA GLY 48 1HA GLY 48 -0.536 -4.098 2.661 329 2HA GLY 48 2HA GLY 48 0.588 -3.298 3.750 330 H VAL 49 H VAL 49 -1.386 -5.632 5.235 331 HA VAL 49 HA VAL 49 0.828 -7.281 5.873 332 HB VAL 49 HB VAL 49 -2.158 -7.551 6.304 333 1HG1 VAL 49 1HG1 VAL 49 0.018 -9.154 7.601 334 2HG1 VAL 49 2HG1 VAL 49 -1.011 -9.776 6.305 335 3HG1 VAL 49 3HG1 VAL 49 -1.713 -9.345 7.874 336 1HG2 VAL 49 1HG2 VAL 49 -1.204 -5.735 7.515 337 2HG2 VAL 49 2HG2 VAL 49 0.073 -6.781 8.143 338 3HG2 VAL 49 3HG2 VAL 49 -1.598 -7.034 8.646 339 H ARG 50 H ARG 50 1.373 -9.241 4.997 340 HA ARG 50 HA ARG 50 -0.216 -10.361 2.785 341 1HB ARG 50 1HB ARG 50 2.729 -9.705 2.693 342 2HB ARG 50 2HB ARG 50 1.868 -10.680 1.512 343 1HG ARG 50 1HG ARG 50 1.212 -7.833 2.137 344 2HG ARG 50 2HG ARG 50 2.288 -8.342 0.815 345 1HD ARG 50 1HD ARG 50 0.441 -9.589 -0.184 346 2HD ARG 50 2HD ARG 50 -0.615 -9.118 1.146 347 HE ARG 50 HE ARG 50 -0.774 -7.006 0.305 348 1HH1 ARG 50 1HH1 ARG 50 1.628 -8.813 -1.620 349 2HH1 ARG 50 2HH1 ARG 50 1.472 -7.800 -2.986 350 1HH2 ARG 50 1HH2 ARG 50 -0.946 -5.614 -1.661 351 2HH2 ARG 50 2HH2 ARG 50 0.089 -5.983 -2.980 352 H VAL 51 H VAL 51 -0.011 -12.340 2.482 353 HA VAL 51 HA VAL 51 0.565 -13.879 4.828 354 HB VAL 51 HB VAL 51 -0.446 -14.511 2.103 355 1HG1 VAL 51 1HG1 VAL 51 -0.222 -16.374 4.505 356 2HG1 VAL 51 2HG1 VAL 51 0.711 -16.518 3.012 357 3HG1 VAL 51 3HG1 VAL 51 -1.036 -16.792 2.993 358 1HG2 VAL 51 1HG2 VAL 51 -1.959 -13.282 3.480 359 2HG2 VAL 51 2HG2 VAL 51 -1.778 -14.471 4.778 360 3HG2 VAL 51 3HG2 VAL 51 -2.565 -14.930 3.273 361 H GLY 52 H GLY 52 2.152 -15.368 5.159 362 1HA GLY 52 1HA GLY 52 4.043 -16.620 4.661 363 2HA GLY 52 2HA GLY 52 4.117 -15.851 3.075 364 H HIS 53 H HIS 53 3.548 -13.659 5.450 365 HA HIS 53 HA HIS 53 6.328 -12.777 5.369 366 1HB HIS 53 1HB HIS 53 3.743 -11.330 5.636 367 2HB HIS 53 2HB HIS 53 5.195 -10.642 6.358 368 HD1 HIS 53 HD1 HIS 53 5.416 -8.642 4.720 369 HD2 HIS 53 HD2 HIS 53 5.175 -12.343 2.817 370 HE1 HIS 53 HE1 HIS 53 5.964 -8.214 2.330 371 HE2 HIS 53 HE2 HIS 53 5.677 -10.428 1.169 372 H ARG 54 H ARG 54 7.353 -12.079 7.152 373 HA ARG 54 HA ARG 54 6.455 -13.258 9.704 374 1HB ARG 54 1HB ARG 54 8.523 -14.161 8.820 375 2HB ARG 54 2HB ARG 54 9.205 -12.552 8.637 376 1HG ARG 54 1HG ARG 54 9.242 -12.343 11.103 377 2HG ARG 54 2HG ARG 54 8.590 -13.983 11.230 378 1HD ARG 54 1HD ARG 54 10.545 -14.852 10.018 379 2HD ARG 54 2HD ARG 54 11.202 -13.225 9.904 380 HE ARG 54 HE ARG 54 10.670 -14.105 12.591 381 1HH1 ARG 54 1HH1 ARG 54 13.211 -14.201 9.991 382 2HH1 ARG 54 2HH1 ARG 54 14.430 -14.387 11.155 383 1HH2 ARG 54 1HH2 ARG 54 12.517 -14.398 14.050 384 2HH2 ARG 54 2HH2 ARG 54 14.075 -14.515 13.373 385 H ILE 55 H ILE 55 5.841 -11.859 11.158 386 HA ILE 55 HA ILE 55 6.052 -9.002 10.787 387 HB ILE 55 HB ILE 55 5.308 -10.425 13.358 388 1HG1 ILE 55 1HG1 ILE 55 3.881 -11.201 11.430 389 2HG1 ILE 55 2HG1 ILE 55 2.965 -10.399 12.710 390 1HG2 ILE 55 1HG2 ILE 55 4.659 -7.669 12.303 391 2HG2 ILE 55 2HG2 ILE 55 5.758 -8.064 13.615 392 3HG2 ILE 55 3HG2 ILE 55 4.031 -8.358 13.795 393 1HD1 ILE 55 1HD1 ILE 55 2.110 -9.676 10.665 394 2HD1 ILE 55 2HD1 ILE 55 3.719 -9.484 9.995 395 3HD1 ILE 55 3HD1 ILE 55 3.148 -8.343 11.224 396 H ILE 56 H ILE 56 7.916 -7.924 11.234 397 HA ILE 56 HA ILE 56 9.536 -9.074 13.314 398 HB ILE 56 HB ILE 56 11.510 -8.060 12.449 399 1HG1 ILE 56 1HG1 ILE 56 9.838 -6.859 10.238 400 2HG1 ILE 56 2HG1 ILE 56 10.419 -5.971 11.659 401 1HG2 ILE 56 1HG2 ILE 56 9.891 -9.330 10.240 402 2HG2 ILE 56 2HG2 ILE 56 10.841 -10.183 11.454 403 3HG2 ILE 56 3HG2 ILE 56 11.648 -9.168 10.260 404 1HD1 ILE 56 1HD1 ILE 56 12.085 -7.371 9.647 405 2HD1 ILE 56 2HD1 ILE 56 12.653 -6.503 11.069 406 3HD1 ILE 56 3HD1 ILE 56 11.847 -5.609 9.751 407 H GLU 57 H GLU 57 7.614 -6.387 12.735 408 HA GLU 57 HA GLU 57 8.355 -5.258 15.315 409 1HB GLU 57 1HB GLU 57 9.919 -4.180 13.628 410 2HB GLU 57 2HB GLU 57 8.489 -3.573 12.805 411 1HG GLU 57 1HG GLU 57 7.903 -2.321 14.835 412 2HG GLU 57 2HG GLU 57 9.385 -2.891 15.582 413 H ILE 58 H ILE 58 6.770 -4.091 16.198 414 HA ILE 58 HA ILE 58 4.335 -3.518 14.678 415 HB ILE 58 HB ILE 58 4.432 -5.014 17.294 416 1HG1 ILE 58 1HG1 ILE 58 3.148 -5.944 14.738 417 2HG1 ILE 58 2HG1 ILE 58 4.814 -6.341 15.163 418 1HG2 ILE 58 1HG2 ILE 58 2.089 -3.995 15.667 419 2HG2 ILE 58 2HG2 ILE 58 2.590 -3.389 17.243 420 3HG2 ILE 58 3HG2 ILE 58 1.924 -5.022 17.091 421 1HD1 ILE 58 1HD1 ILE 58 2.369 -7.034 16.777 422 2HD1 ILE 58 2HD1 ILE 58 4.062 -7.408 17.155 423 3HD1 ILE 58 3HD1 ILE 58 3.308 -8.129 15.741 424 H ASN 59 H ASN 59 3.998 -1.456 15.059 425 HA ASN 59 HA ASN 59 3.525 0.522 16.041 426 1HB ASN 59 1HB ASN 59 2.326 -1.110 17.711 427 2HB ASN 59 2HB ASN 59 3.647 -0.706 18.794 428 1HD2 ASN 59 1HD2 ASN 59 0.755 0.386 17.298 429 2HD2 ASN 59 2HD2 ASN 59 0.588 1.874 18.154 430 H GLY 60 H GLY 60 6.372 -0.784 16.106 431 1HA GLY 60 1HA GLY 60 8.248 0.750 16.167 432 2HA GLY 60 2HA GLY 60 7.552 1.429 17.630 433 H GLN 61 H GLN 61 7.151 -1.856 17.875 434 HA GLN 61 HA GLN 61 9.798 -2.142 19.117 435 1HB GLN 61 1HB GLN 61 8.839 -3.676 20.782 436 2HB GLN 61 2HB GLN 61 8.116 -2.087 20.892 437 1HG GLN 61 1HG GLN 61 6.120 -2.869 19.794 438 2HG GLN 61 2HG GLN 61 6.853 -4.448 19.522 439 1HE2 GLN 61 1HE2 GLN 61 7.090 -5.866 21.263 440 2HE2 GLN 61 2HE2 GLN 61 6.230 -5.629 22.740 441 H SER 62 H SER 62 10.997 -3.864 18.708 442 HA SER 62 HA SER 62 10.309 -5.314 16.358 443 1HB SER 62 1HB SER 62 12.612 -5.736 18.272 444 2HB SER 62 2HB SER 62 12.515 -6.251 16.586 445 HG SER 62 HG SER 62 13.660 -4.226 17.284 446 H VAL 63 H VAL 63 8.861 -6.967 16.506 447 HA VAL 63 HA VAL 63 8.686 -8.388 19.039 448 HB VAL 63 HB VAL 63 6.456 -8.970 18.326 449 1HG1 VAL 63 1HG1 VAL 63 5.468 -6.682 18.305 450 2HG1 VAL 63 2HG1 VAL 63 7.061 -6.031 17.908 451 3HG1 VAL 63 3HG1 VAL 63 6.801 -6.808 19.451 452 1HG2 VAL 63 1HG2 VAL 63 5.551 -8.145 16.195 453 2HG2 VAL 63 2HG2 VAL 63 6.923 -9.221 15.952 454 3HG2 VAL 63 3HG2 VAL 63 7.133 -7.473 15.794 455 H VAL 64 H VAL 64 10.389 -8.593 16.508 456 HA VAL 64 HA VAL 64 9.836 -11.132 15.380 457 HB VAL 64 HB VAL 64 11.173 -9.147 14.466 458 1HG1 VAL 64 1HG1 VAL 64 13.372 -10.459 15.975 459 2HG1 VAL 64 2HG1 VAL 64 12.726 -8.832 16.213 460 3HG1 VAL 64 3HG1 VAL 64 13.588 -9.232 14.723 461 1HG2 VAL 64 1HG2 VAL 64 10.818 -11.098 13.273 462 2HG2 VAL 64 2HG2 VAL 64 12.125 -11.964 14.110 463 3HG2 VAL 64 3HG2 VAL 64 12.491 -10.596 13.021 464 H ALA 65 H ALA 65 11.165 -10.134 18.269 465 HA ALA 65 HA ALA 65 12.350 -12.762 18.797 466 1HB ALA 65 1HB ALA 65 13.779 -11.609 20.414 467 2HB ALA 65 2HB ALA 65 13.011 -10.078 19.983 468 3HB ALA 65 3HB ALA 65 13.979 -10.944 18.791 469 H THR 66 H THR 66 9.572 -11.382 19.087 470 HA THR 66 HA THR 66 9.133 -11.659 21.921 471 HB THR 66 HB THR 66 7.590 -10.432 19.612 472 HG1 THR 66 HG1 THR 66 9.230 -9.464 21.665 473 1HG2 THR 66 1HG2 THR 66 6.058 -11.227 21.387 474 2HG2 THR 66 2HG2 THR 66 6.093 -9.484 21.248 475 3HG2 THR 66 3HG2 THR 66 6.957 -10.279 22.573 476 HA PRO 67 HA PRO 67 7.340 -15.650 20.876 477 1HB PRO 67 1HB PRO 67 5.785 -15.972 23.123 478 2HB PRO 67 2HB PRO 67 7.519 -16.305 23.072 479 1HG PRO 67 1HG PRO 67 6.072 -13.911 24.108 480 2HG PRO 67 2HG PRO 67 7.494 -14.733 24.768 481 1HD PRO 67 1HD PRO 67 7.661 -12.424 23.370 482 2HD PRO 67 2HD PRO 67 8.939 -13.654 23.337 483 H HIS 68 H HIS 68 5.373 -16.543 20.283 484 HA HIS 68 HA HIS 68 3.594 -15.145 18.811 485 1HB HIS 68 1HB HIS 68 3.613 -17.462 18.515 486 2HB HIS 68 2HB HIS 68 3.379 -17.782 20.223 487 HD1 HIS 68 HD1 HIS 68 1.428 -16.926 17.088 488 HD2 HIS 68 HD2 HIS 68 0.730 -17.993 21.039 489 HE1 HIS 68 HE1 HIS 68 -1.004 -17.454 17.226 490 HE2 HIS 68 HE2 HIS 68 -1.187 -18.571 19.456 491 H GLU 69 H GLU 69 3.023 -16.139 22.159 492 HA GLU 69 HA GLU 69 0.425 -15.210 22.385 493 1HB GLU 69 1HB GLU 69 1.575 -16.699 23.945 494 2HB GLU 69 2HB GLU 69 2.535 -15.312 24.471 495 1HG GLU 69 1HG GLU 69 0.540 -14.215 25.279 496 2HG GLU 69 2HG GLU 69 -0.429 -15.603 24.751 497 H LYS 70 H LYS 70 3.475 -13.632 23.035 498 HA LYS 70 HA LYS 70 2.351 -11.185 23.992 499 1HB LYS 70 1HB LYS 70 5.047 -12.187 23.300 500 2HB LYS 70 2HB LYS 70 4.799 -10.481 23.139 501 1HG LYS 70 1HG LYS 70 5.783 -11.161 25.325 502 2HG LYS 70 2HG LYS 70 4.321 -10.199 25.440 503 1HD LYS 70 1HD LYS 70 4.221 -13.191 25.629 504 2HD LYS 70 2HD LYS 70 4.680 -12.214 27.028 505 1HE LYS 70 1HE LYS 70 2.499 -10.947 26.669 506 2HE LYS 70 2HE LYS 70 2.101 -12.191 25.491 507 1HZ LYS 70 1HZ LYS 70 2.700 -12.811 28.324 508 2HZ LYS 70 2HZ LYS 70 2.090 -13.871 27.177 509 3HZ LYS 70 3HZ LYS 70 1.146 -12.581 27.711 510 H ILE 71 H ILE 71 3.811 -12.012 20.915 511 HA ILE 71 HA ILE 71 3.292 -9.684 19.532 512 HB ILE 71 HB ILE 71 2.973 -12.493 18.392 513 1HG1 ILE 71 1HG1 ILE 71 5.403 -10.703 18.553 514 2HG1 ILE 71 2HG1 ILE 71 5.156 -12.204 19.434 515 1HG2 ILE 71 1HG2 ILE 71 3.472 -11.504 16.232 516 2HG2 ILE 71 2HG2 ILE 71 3.638 -9.923 16.987 517 3HG2 ILE 71 3HG2 ILE 71 2.050 -10.706 16.932 518 1HD1 ILE 71 1HD1 ILE 71 5.428 -11.930 16.452 519 2HD1 ILE 71 2HD1 ILE 71 5.181 -13.443 17.322 520 3HD1 ILE 71 3HD1 ILE 71 6.664 -12.507 17.564 521 H VAL 72 H VAL 72 1.066 -12.377 20.130 522 HA VAL 72 HA VAL 72 -1.087 -11.256 18.656 523 HB VAL 72 HB VAL 72 -1.013 -13.468 20.730 524 1HG1 VAL 72 1HG1 VAL 72 -3.347 -12.621 18.997 525 2HG1 VAL 72 2HG1 VAL 72 -3.260 -12.479 20.755 526 3HG1 VAL 72 3HG1 VAL 72 -3.288 -14.071 19.995 527 1HG2 VAL 72 1HG2 VAL 72 -1.354 -14.910 18.775 528 2HG2 VAL 72 2HG2 VAL 72 0.124 -13.952 18.661 529 3HG2 VAL 72 3HG2 VAL 72 -1.303 -13.481 17.740 530 H HIS 73 H HIS 73 -0.073 -11.079 22.006 531 HA HIS 73 HA HIS 73 -2.472 -9.902 22.998 532 1HB HIS 73 1HB HIS 73 -0.776 -11.116 24.422 533 2HB HIS 73 2HB HIS 73 0.301 -9.740 24.213 534 HD1 HIS 73 HD1 HIS 73 -2.604 -10.951 26.160 535 HD2 HIS 73 HD2 HIS 73 -0.529 -7.381 25.652 536 HE1 HIS 73 HE1 HIS 73 -3.306 -9.487 28.057 537 HE2 HIS 73 HE2 HIS 73 -2.287 -7.259 27.544 538 H ILE 74 H ILE 74 0.627 -8.614 21.824 539 HA ILE 74 HA ILE 74 0.071 -5.934 22.339 540 HB ILE 74 HB ILE 74 1.950 -7.290 20.381 541 1HG1 ILE 74 1HG1 ILE 74 3.704 -5.965 21.679 542 2HG1 ILE 74 2HG1 ILE 74 2.421 -5.538 22.801 543 1HG2 ILE 74 1HG2 ILE 74 2.854 -5.146 19.693 544 2HG2 ILE 74 2HG2 ILE 74 1.549 -4.334 20.577 545 3HG2 ILE 74 3HG2 ILE 74 1.170 -5.389 19.211 546 1HD1 ILE 74 1HD1 ILE 74 3.387 -8.338 22.237 547 2HD1 ILE 74 2HD1 ILE 74 2.178 -7.864 23.413 548 3HD1 ILE 74 3HD1 ILE 74 3.847 -7.343 23.615 549 H LEU 75 H LEU 75 -0.368 -7.859 19.340 550 HA LEU 75 HA LEU 75 -1.596 -5.818 17.841 551 1HB LEU 75 1HB LEU 75 -1.908 -8.807 17.645 552 2HB LEU 75 2HB LEU 75 -2.550 -7.682 16.471 553 HG LEU 75 HG LEU 75 0.373 -8.009 17.119 554 1HD1 LEU 75 1HD1 LEU 75 -0.540 -9.982 16.022 555 2HD1 LEU 75 2HD1 LEU 75 0.519 -9.089 14.932 556 3HD1 LEU 75 3HD1 LEU 75 -1.233 -8.965 14.756 557 1HD2 LEU 75 1HD2 LEU 75 -0.195 -5.745 16.342 558 2HD2 LEU 75 2HD2 LEU 75 -1.028 -6.432 14.952 559 3HD2 LEU 75 3HD2 LEU 75 0.715 -6.626 15.117 560 H SER 76 H SER 76 -2.895 -8.063 20.111 561 HA SER 76 HA SER 76 -5.623 -7.719 19.636 562 1HB SER 76 1HB SER 76 -4.694 -9.552 20.981 563 2HB SER 76 2HB SER 76 -4.166 -8.409 22.201 564 HG SER 76 HG SER 76 -6.796 -8.039 21.900 565 H ASN 77 H ASN 77 -3.331 -5.760 21.513 566 HA ASN 77 HA ASN 77 -5.627 -4.187 22.454 567 1HB ASN 77 1HB ASN 77 -2.960 -4.620 23.773 568 2HB ASN 77 2HB ASN 77 -4.148 -3.452 24.355 569 1HD2 ASN 77 1HD2 ASN 77 -3.310 -6.771 24.031 570 2HD2 ASN 77 2HD2 ASN 77 -4.553 -7.448 25.021 571 H ALA 78 H ALA 78 -3.017 -3.956 20.366 572 HA ALA 78 HA ALA 78 -2.717 -1.114 20.753 573 1HB ALA 78 1HB ALA 78 -0.708 -2.456 20.226 574 2HB ALA 78 2HB ALA 78 -0.996 -1.243 18.982 575 3HB ALA 78 3HB ALA 78 -1.421 -2.924 18.687 576 H VAL 79 H VAL 79 -3.714 0.423 19.630 577 HA VAL 79 HA VAL 79 -5.041 -0.351 17.138 578 HB VAL 79 HB VAL 79 -7.113 0.506 17.712 579 1HG1 VAL 79 1HG1 VAL 79 -6.134 -0.031 20.401 580 2HG1 VAL 79 2HG1 VAL 79 -6.747 -1.151 19.187 581 3HG1 VAL 79 3HG1 VAL 79 -7.817 0.082 19.864 582 1HG2 VAL 79 1HG2 VAL 79 -6.401 2.794 17.965 583 2HG2 VAL 79 2HG2 VAL 79 -5.935 2.481 19.660 584 3HG2 VAL 79 3HG2 VAL 79 -7.632 2.322 19.130 585 H GLY 80 H GLY 80 -5.714 1.972 15.968 586 1HA GLY 80 1HA GLY 80 -5.081 4.106 15.343 587 2HA GLY 80 2HA GLY 80 -3.725 4.013 16.463 588 H GLU 81 H GLU 81 -2.572 4.949 14.651 589 HA GLU 81 HA GLU 81 -1.920 3.367 12.364 590 1HB GLU 81 1HB GLU 81 -0.712 5.845 13.609 591 2HB GLU 81 2HB GLU 81 -0.126 5.137 12.110 592 1HG GLU 81 1HG GLU 81 -2.068 5.653 10.958 593 2HG GLU 81 2HG GLU 81 -2.998 5.896 12.437 594 H ILE 82 H ILE 82 -0.873 1.597 12.592 595 HA ILE 82 HA ILE 82 1.173 1.311 14.701 596 HB ILE 82 HB ILE 82 -0.617 -0.799 13.450 597 1HG1 ILE 82 1HG1 ILE 82 -0.711 0.359 16.253 598 2HG1 ILE 82 2HG1 ILE 82 -1.775 0.833 14.945 599 1HG2 ILE 82 1HG2 ILE 82 1.323 -1.009 15.754 600 2HG2 ILE 82 2HG2 ILE 82 1.557 -1.692 14.149 601 3HG2 ILE 82 3HG2 ILE 82 0.260 -2.302 15.185 602 1HD1 ILE 82 1HD1 ILE 82 -1.589 -1.939 16.098 603 2HD1 ILE 82 2HD1 ILE 82 -2.724 -1.366 14.858 604 3HD1 ILE 82 3HD1 ILE 82 -2.811 -0.726 16.490 605 H HIS 83 H HIS 83 3.123 1.285 13.845 606 HA HIS 83 HA HIS 83 3.609 0.527 11.055 607 1HB HIS 83 1HB HIS 83 5.618 1.223 13.226 608 2HB HIS 83 2HB HIS 83 5.971 1.012 11.526 609 HD1 HIS 83 HD1 HIS 83 5.975 3.574 13.786 610 HD2 HIS 83 HD2 HIS 83 4.076 3.109 10.121 611 HE1 HIS 83 HE1 HIS 83 5.511 5.879 12.984 612 HE2 HIS 83 HE2 HIS 83 4.590 5.592 10.671 613 H MET 84 H MET 84 3.737 -1.436 10.566 614 HA MET 84 HA MET 84 5.053 -3.310 12.379 615 1HB MET 84 1HB MET 84 2.835 -3.422 10.444 616 2HB MET 84 2HB MET 84 3.769 -4.880 10.821 617 1HG MET 84 1HG MET 84 3.052 -4.798 13.078 618 2HG MET 84 2HG MET 84 2.380 -3.180 12.872 619 1HE MET 84 1HE MET 84 2.296 -6.470 10.800 620 2HE MET 84 2HE MET 84 1.822 -5.099 9.802 621 3HE MET 84 3HE MET 84 0.644 -6.376 10.126 622 H LYS 85 H LYS 85 6.640 -4.573 11.410 623 HA LYS 85 HA LYS 85 7.278 -3.871 8.627 624 1HB LYS 85 1HB LYS 85 9.206 -4.716 10.813 625 2HB LYS 85 2HB LYS 85 9.607 -4.389 9.129 626 1HG LYS 85 1HG LYS 85 8.429 -2.356 10.894 627 2HG LYS 85 2HG LYS 85 10.182 -2.657 10.831 628 1HD LYS 85 1HD LYS 85 9.887 -2.383 8.303 629 2HD LYS 85 2HD LYS 85 8.324 -1.678 8.700 630 1HE LYS 85 1HE LYS 85 9.429 -0.061 10.136 631 2HE LYS 85 2HE LYS 85 10.964 -0.854 9.714 632 1HZ LYS 85 1HZ LYS 85 9.227 0.326 7.638 633 2HZ LYS 85 2HZ LYS 85 10.879 -0.076 7.545 634 3HZ LYS 85 3HZ LYS 85 10.395 1.236 8.463 635 H THR 86 H THR 86 7.016 -5.523 7.394 636 HA THR 86 HA THR 86 7.206 -8.166 8.646 637 HB THR 86 HB THR 86 5.594 -9.017 7.041 638 HG1 THR 86 HG1 THR 86 5.464 -6.310 6.142 639 1HG2 THR 86 1HG2 THR 86 4.541 -6.550 8.427 640 2HG2 THR 86 2HG2 THR 86 4.779 -8.114 9.174 641 3HG2 THR 86 3HG2 THR 86 3.574 -7.930 7.896 642 H MET 87 H MET 87 8.410 -9.716 7.625 643 HA MET 87 HA MET 87 9.869 -8.819 5.223 644 1HB MET 87 1HB MET 87 10.705 -10.758 7.406 645 2HB MET 87 2HB MET 87 11.632 -10.422 5.953 646 1HG MET 87 1HG MET 87 11.844 -8.102 6.648 647 2HG MET 87 2HG MET 87 10.950 -8.482 8.125 648 1HE MET 87 1HE MET 87 14.240 -8.924 6.095 649 2HE MET 87 2HE MET 87 13.722 -10.609 6.227 650 3HE MET 87 3HE MET 87 15.160 -10.057 7.082 651 HA PRO 88 HA PRO 88 8.076 -12.422 3.250 652 1HB PRO 88 1HB PRO 88 10.665 -13.265 2.137 653 2HB PRO 88 2HB PRO 88 9.236 -12.666 1.295 654 1HG PRO 88 1HG PRO 88 11.460 -11.198 1.468 655 2HG PRO 88 2HG PRO 88 9.852 -10.452 1.547 656 1HD PRO 88 1HD PRO 88 11.726 -11.147 3.784 657 2HD PRO 88 2HD PRO 88 10.811 -9.645 3.513 658 H ALA 89 H ALA 89 9.208 -12.797 5.880 659 HA ALA 89 HA ALA 89 9.837 -14.313 7.413 660 1HB ALA 89 1HB ALA 89 8.780 -16.493 7.289 661 2HB ALA 89 2HB ALA 89 8.462 -16.258 5.558 662 3HB ALA 89 3HB ALA 89 7.697 -15.204 6.758 663 H ALA 90 H ALA 90 11.849 -13.603 6.344 664 HA ALA 90 HA ALA 90 13.481 -16.000 6.066 665 1HB ALA 90 1HB ALA 90 14.933 -14.734 4.518 666 2HB ALA 90 2HB ALA 90 13.796 -13.390 4.563 667 3HB ALA 90 3HB ALA 90 13.310 -14.938 3.858 Start of MODEL 5 1 H GLU 7 1H GLU 7 14.020 0.388 3.488 2 HA GLU 7 HA GLU 7 15.299 -1.592 3.593 3 1HB GLU 7 1HB GLU 7 17.674 0.294 3.633 4 2HB GLU 7 2HB GLU 7 17.756 -1.411 4.017 5 1HG GLU 7 1HG GLU 7 18.572 -1.162 1.814 6 2HG GLU 7 2HG GLU 7 16.971 -1.877 1.674 7 H THR 8 H THR 8 14.602 -2.117 5.554 8 HA THR 8 HA THR 8 15.303 -0.360 7.792 9 HB THR 8 HB THR 8 13.380 -2.715 7.744 10 HG1 THR 8 HG1 THR 8 13.086 0.067 7.337 11 1HG2 THR 8 1HG2 THR 8 13.696 -0.523 9.821 12 2HG2 THR 8 2HG2 THR 8 14.312 -2.160 9.990 13 3HG2 THR 8 3HG2 THR 8 12.576 -1.889 9.895 14 H MET 9 H MET 9 16.116 -3.397 6.378 15 HA MET 9 HA MET 9 18.335 -3.895 8.003 16 1HB MET 9 1HB MET 9 16.587 -4.575 9.673 17 2HB MET 9 2HB MET 9 15.995 -5.758 8.514 18 1HG MET 9 1HG MET 9 18.156 -6.925 8.607 19 2HG MET 9 2HG MET 9 18.738 -5.741 9.773 20 1HE MET 9 1HE MET 9 16.300 -8.725 9.097 21 2HE MET 9 2HE MET 9 15.151 -7.459 9.531 22 3HE MET 9 3HE MET 9 15.398 -8.828 10.606 23 H GLY 10 H GLY 10 15.727 -5.406 6.233 24 1HA GLY 10 1HA GLY 10 17.601 -6.213 4.182 25 2HA GLY 10 2HA GLY 10 16.571 -7.451 4.910 26 H ASN 11 H ASN 11 15.067 -7.871 3.493 27 HA ASN 11 HA ASN 11 13.811 -5.712 2.025 28 1HB ASN 11 1HB ASN 11 13.474 -8.726 1.850 29 2HB ASN 11 2HB ASN 11 12.540 -7.578 0.892 30 1HD2 ASN 11 1HD2 ASN 11 15.720 -8.917 1.448 31 2HD2 ASN 11 2HD2 ASN 11 16.406 -8.411 -0.048 32 H VAL 12 H VAL 12 12.716 -4.650 3.450 33 HA VAL 12 HA VAL 12 10.863 -6.068 5.154 34 HB VAL 12 HB VAL 12 12.490 -3.595 5.635 35 1HG1 VAL 12 1HG1 VAL 12 10.216 -4.743 7.280 36 2HG1 VAL 12 2HG1 VAL 12 10.221 -3.172 6.473 37 3HG1 VAL 12 3HG1 VAL 12 11.304 -3.476 7.842 38 1HG2 VAL 12 1HG2 VAL 12 13.619 -5.679 6.160 39 2HG2 VAL 12 2HG2 VAL 12 12.235 -6.136 7.180 40 3HG2 VAL 12 3HG2 VAL 12 13.231 -4.762 7.630 41 H THR 13 H THR 13 8.989 -5.598 4.871 42 HA THR 13 HA THR 13 8.104 -3.296 3.300 43 HB THR 13 HB THR 13 7.252 -6.118 3.643 44 HG1 THR 13 HG1 THR 13 7.545 -5.485 1.055 45 1HG2 THR 13 1HG2 THR 13 5.367 -5.654 2.066 46 2HG2 THR 13 2HG2 THR 13 5.827 -3.941 2.085 47 3HG2 THR 13 3HG2 THR 13 5.263 -4.720 3.566 48 H THR 14 H THR 14 7.252 -1.912 4.563 49 HA THR 14 HA THR 14 6.452 -2.592 7.218 50 HB THR 14 HB THR 14 6.294 -0.006 5.761 51 HG1 THR 14 HG1 THR 14 8.480 -0.574 5.811 52 1HG2 THR 14 1HG2 THR 14 6.328 -0.674 8.720 53 2HG2 THR 14 2HG2 THR 14 4.977 -0.012 7.816 54 3HG2 THR 14 3HG2 THR 14 6.420 0.978 8.096 55 H VAL 15 H VAL 15 4.495 -2.603 7.933 56 HA VAL 15 HA VAL 15 2.247 -2.246 6.089 57 HB VAL 15 HB VAL 15 2.667 -4.153 8.375 58 1HG1 VAL 15 1HG1 VAL 15 0.361 -4.889 7.971 59 2HG1 VAL 15 2HG1 VAL 15 0.157 -3.616 6.760 60 3HG1 VAL 15 3HG1 VAL 15 0.398 -3.192 8.462 61 1HG2 VAL 15 1HG2 VAL 15 3.607 -4.875 6.317 62 2HG2 VAL 15 2HG2 VAL 15 2.107 -4.435 5.482 63 3HG2 VAL 15 3HG2 VAL 15 2.096 -5.807 6.590 64 H LEU 16 H LEU 16 0.662 -0.922 6.783 65 HA LEU 16 HA LEU 16 0.901 -0.000 9.523 66 1HB LEU 16 1HB LEU 16 1.576 1.724 7.897 67 2HB LEU 16 2HB LEU 16 -0.025 1.612 7.174 68 HG LEU 16 HG LEU 16 -0.903 2.111 9.513 69 1HD1 LEU 16 1HD1 LEU 16 1.212 1.772 10.672 70 2HD1 LEU 16 2HD1 LEU 16 0.517 3.358 10.949 71 3HD1 LEU 16 3HD1 LEU 16 1.866 3.177 9.822 72 1HD2 LEU 16 1HD2 LEU 16 -1.056 3.544 7.653 73 2HD2 LEU 16 2HD2 LEU 16 0.569 4.201 7.986 74 3HD2 LEU 16 3HD2 LEU 16 -0.773 4.423 9.160 75 H ILE 17 H ILE 17 -0.734 -0.620 10.581 76 HA ILE 17 HA ILE 17 -3.292 -1.240 9.250 77 HB ILE 17 HB ILE 17 -1.742 -2.401 11.426 78 1HG1 ILE 17 1HG1 ILE 17 -2.765 -3.623 9.523 79 2HG1 ILE 17 2HG1 ILE 17 -3.159 -4.310 11.097 80 1HG2 ILE 17 1HG2 ILE 17 -3.154 -1.087 12.895 81 2HG2 ILE 17 2HG2 ILE 17 -3.515 -2.825 13.040 82 3HG2 ILE 17 3HG2 ILE 17 -4.580 -1.761 12.100 83 1HD1 ILE 17 1HD1 ILE 17 -4.928 -2.562 9.419 84 2HD1 ILE 17 2HD1 ILE 17 -5.293 -3.109 11.039 85 3HD1 ILE 17 3HD1 ILE 17 -5.135 -4.291 9.732 86 H ARG 18 H ARG 18 -5.137 -0.168 9.757 87 HA ARG 18 HA ARG 18 -4.857 2.092 11.619 88 1HB ARG 18 1HB ARG 18 -6.625 1.811 9.171 89 2HB ARG 18 2HB ARG 18 -6.879 3.053 10.382 90 1HG ARG 18 1HG ARG 18 -5.761 3.941 8.410 91 2HG ARG 18 2HG ARG 18 -4.698 4.019 9.815 92 1HD ARG 18 1HD ARG 18 -3.422 2.297 9.123 93 2HD ARG 18 2HD ARG 18 -4.617 1.673 7.978 94 HE ARG 18 HE ARG 18 -3.249 4.239 7.561 95 1HH1 ARG 18 1HH1 ARG 18 -4.295 1.065 6.354 96 2HH1 ARG 18 2HH1 ARG 18 -3.400 1.126 4.918 97 1HH2 ARG 18 1HH2 ARG 18 -2.007 4.344 5.503 98 2HH2 ARG 18 2HH2 ARG 18 -2.033 2.961 4.472 99 H ARG 19 H ARG 19 -5.569 1.296 13.384 100 HA ARG 19 HA ARG 19 -8.065 -0.197 13.321 101 1HB ARG 19 1HB ARG 19 -6.202 -1.407 14.199 102 2HB ARG 19 2HB ARG 19 -5.891 -0.130 15.365 103 1HG ARG 19 1HG ARG 19 -7.874 -0.569 16.510 104 2HG ARG 19 2HG ARG 19 -8.437 -1.712 15.274 105 1HD ARG 19 1HD ARG 19 -6.337 -3.028 15.785 106 2HD ARG 19 2HD ARG 19 -6.148 -1.976 17.188 107 HE ARG 19 HE ARG 19 -8.709 -3.015 17.076 108 1HH1 ARG 19 1HH1 ARG 19 -5.442 -3.716 18.064 109 2HH1 ARG 19 2HH1 ARG 19 -5.802 -5.153 18.876 110 1HH2 ARG 19 1HH2 ARG 19 -9.289 -5.069 18.227 111 2HH2 ARG 19 2HH2 ARG 19 -8.042 -5.951 18.956 112 HA PRO 20 HA PRO 20 -9.584 3.773 15.081 113 1HB PRO 20 1HB PRO 20 -12.124 2.231 14.872 114 2HB PRO 20 2HB PRO 20 -11.771 3.885 14.363 115 1HG PRO 20 1HG PRO 20 -11.944 1.979 12.538 116 2HG PRO 20 2HG PRO 20 -10.659 3.195 12.428 117 1HD PRO 20 1HD PRO 20 -10.502 0.359 13.402 118 2HD PRO 20 2HD PRO 20 -9.376 1.259 12.358 119 H ASP 21 H ASP 21 -10.405 0.505 16.252 120 HA ASP 21 HA ASP 21 -9.853 1.110 18.927 121 1HB ASP 21 1HB ASP 21 -12.023 0.986 19.996 122 2HB ASP 21 2HB ASP 21 -12.118 2.256 18.798 123 H LEU 22 H LEU 22 -10.812 -0.834 20.342 124 HA LEU 22 HA LEU 22 -9.433 -3.033 19.232 125 1HB LEU 22 1HB LEU 22 -11.091 -2.879 21.713 126 2HB LEU 22 2HB LEU 22 -10.080 -4.241 21.262 127 HG LEU 22 HG LEU 22 -9.172 -1.451 21.884 128 1HD1 LEU 22 1HD1 LEU 22 -7.995 -2.551 23.722 129 2HD1 LEU 22 2HD1 LEU 22 -8.684 -4.098 23.196 130 3HD1 LEU 22 3HD1 LEU 22 -9.747 -2.817 23.802 131 1HD2 LEU 22 1HD2 LEU 22 -7.938 -2.303 20.085 132 2HD2 LEU 22 2HD2 LEU 22 -7.613 -3.827 20.891 133 3HD2 LEU 22 3HD2 LEU 22 -6.874 -2.315 21.484 134 H ARG 23 H ARG 23 -12.667 -2.216 18.919 135 HA ARG 23 HA ARG 23 -13.542 -4.903 18.491 136 1HB ARG 23 1HB ARG 23 -14.867 -2.247 18.082 137 2HB ARG 23 2HB ARG 23 -15.626 -3.733 17.507 138 1HG ARG 23 1HG ARG 23 -15.673 -4.649 19.695 139 2HG ARG 23 2HG ARG 23 -14.680 -3.337 20.320 140 1HD ARG 23 1HD ARG 23 -16.457 -1.777 20.087 141 2HD ARG 23 2HD ARG 23 -17.430 -2.924 19.160 142 HE ARG 23 HE ARG 23 -18.100 -3.894 21.065 143 1HH1 ARG 23 1HH1 ARG 23 -15.451 -1.686 21.944 144 2HH1 ARG 23 2HH1 ARG 23 -15.446 -2.121 23.580 145 1HH2 ARG 23 1HH2 ARG 23 -18.077 -4.507 23.336 146 2HH2 ARG 23 2HH2 ARG 23 -16.931 -3.811 24.379 147 H TYR 24 H TYR 24 -11.752 -2.821 16.676 148 HA TYR 24 HA TYR 24 -12.468 -4.198 14.183 149 1HB TYR 24 1HB TYR 24 -10.563 -1.891 14.669 150 2HB TYR 24 2HB TYR 24 -10.844 -2.647 13.116 151 HD1 TYR 24 HD1 TYR 24 -12.590 -0.837 15.835 152 HD2 TYR 24 HD2 TYR 24 -12.438 -1.751 11.695 153 HE1 TYR 24 HE1 TYR 24 -14.305 0.840 15.405 154 HE2 TYR 24 HE2 TYR 24 -14.176 -0.066 11.257 155 HH TYR 24 HH TYR 24 -15.088 2.182 13.720 156 H GLN 25 H GLN 25 -11.502 -6.209 14.507 157 HA GLN 25 HA GLN 25 -8.847 -6.154 15.606 158 1HB GLN 25 1HB GLN 25 -10.579 -8.511 14.860 159 2HB GLN 25 2HB GLN 25 -8.957 -8.651 15.531 160 1HG GLN 25 1HG GLN 25 -9.723 -7.363 17.517 161 2HG GLN 25 2HG GLN 25 -11.357 -7.405 16.860 162 1HE2 GLN 25 1HE2 GLN 25 -8.843 -9.189 18.354 163 2HE2 GLN 25 2HE2 GLN 25 -9.758 -10.599 18.737 164 H LEU 26 H LEU 26 -7.110 -7.210 14.670 165 HA LEU 26 HA LEU 26 -6.154 -5.954 12.458 166 1HB LEU 26 1HB LEU 26 -5.301 -8.762 13.174 167 2HB LEU 26 2HB LEU 26 -4.344 -7.548 12.382 168 HG LEU 26 HG LEU 26 -3.417 -7.706 14.482 169 1HD1 LEU 26 1HD1 LEU 26 -5.260 -5.374 14.715 170 2HD1 LEU 26 2HD1 LEU 26 -3.641 -5.420 13.999 171 3HD1 LEU 26 3HD1 LEU 26 -3.854 -5.691 15.732 172 1HD2 LEU 26 1HD2 LEU 26 -5.112 -9.105 15.563 173 2HD2 LEU 26 2HD2 LEU 26 -6.132 -7.693 15.859 174 3HD2 LEU 26 3HD2 LEU 26 -4.565 -7.821 16.623 175 H GLY 27 H GLY 27 -7.113 -9.401 12.351 176 1HA GLY 27 1HA GLY 27 -8.705 -10.081 10.686 177 2HA GLY 27 2HA GLY 27 -8.047 -8.838 9.628 178 H PHE 28 H PHE 28 -5.427 -10.099 11.040 179 HA PHE 28 HA PHE 28 -5.242 -12.205 9.022 180 1HB PHE 28 1HB PHE 28 -2.848 -11.775 8.752 181 2HB PHE 28 2HB PHE 28 -3.759 -10.322 8.408 182 HD1 PHE 28 HD1 PHE 28 -3.669 -8.413 9.963 183 HD2 PHE 28 HD2 PHE 28 -1.318 -11.897 10.586 184 HE1 PHE 28 HE1 PHE 28 -2.242 -7.163 11.524 185 HE2 PHE 28 HE2 PHE 28 0.103 -10.665 12.156 186 HZ PHE 28 HZ PHE 28 -0.353 -8.292 12.626 187 H SER 29 H SER 29 -3.865 -13.954 9.553 188 HA SER 29 HA SER 29 -3.849 -14.507 12.446 189 1HB SER 29 1HB SER 29 -5.287 -15.993 11.043 190 2HB SER 29 2HB SER 29 -3.863 -16.427 10.103 191 HG SER 29 HG SER 29 -4.752 -17.562 12.275 192 H VAL 30 H VAL 30 -1.861 -14.924 13.370 193 HA VAL 30 HA VAL 30 0.365 -15.124 11.502 194 HB VAL 30 HB VAL 30 -0.109 -12.891 12.982 195 1HG1 VAL 30 1HG1 VAL 30 1.804 -14.408 14.684 196 2HG1 VAL 30 2HG1 VAL 30 0.161 -13.933 15.142 197 3HG1 VAL 30 3HG1 VAL 30 1.400 -12.698 14.856 198 1HG2 VAL 30 1HG2 VAL 30 1.497 -13.009 11.231 199 2HG2 VAL 30 2HG2 VAL 30 2.599 -13.940 12.252 200 3HG2 VAL 30 3HG2 VAL 30 2.224 -12.263 12.651 201 H GLN 31 H GLN 31 1.769 -16.728 11.909 202 HA GLN 31 HA GLN 31 1.697 -17.837 14.554 203 1HB GLN 31 1HB GLN 31 2.099 -20.168 13.580 204 2HB GLN 31 2HB GLN 31 0.479 -19.525 13.523 205 1HG GLN 31 1HG GLN 31 0.794 -20.650 11.486 206 2HG GLN 31 2HG GLN 31 0.934 -18.937 11.128 207 1HE2 GLN 31 1HE2 GLN 31 2.795 -18.194 10.191 208 2HE2 GLN 31 2HE2 GLN 31 4.108 -19.209 9.747 209 H ASN 32 H ASN 32 3.405 -17.942 15.567 210 HA ASN 32 HA ASN 32 5.574 -17.673 16.182 211 1HB ASN 32 1HB ASN 32 6.252 -18.707 13.402 212 2HB ASN 32 2HB ASN 32 7.363 -18.603 14.759 213 1HD2 ASN 32 1HD2 ASN 32 6.608 -20.866 13.179 214 2HD2 ASN 32 2HD2 ASN 32 5.978 -22.056 14.252 215 H GLY 33 H GLY 33 4.062 -15.652 14.394 216 1HA GLY 33 1HA GLY 33 4.702 -13.367 14.211 217 2HA GLY 33 2HA GLY 33 6.370 -13.889 14.003 218 H ILE 34 H ILE 34 4.611 -15.977 12.207 219 HA ILE 34 HA ILE 34 4.981 -14.312 9.815 220 HB ILE 34 HB ILE 34 5.049 -17.359 9.940 221 1HG1 ILE 34 1HG1 ILE 34 7.432 -17.034 9.052 222 2HG1 ILE 34 2HG1 ILE 34 7.275 -15.346 9.493 223 1HG2 ILE 34 1HG2 ILE 34 5.425 -15.490 7.614 224 2HG2 ILE 34 2HG2 ILE 34 4.065 -16.583 7.871 225 3HG2 ILE 34 3HG2 ILE 34 5.680 -17.235 7.553 226 1HD1 ILE 34 1HD1 ILE 34 7.171 -17.689 11.375 227 2HD1 ILE 34 2HD1 ILE 34 7.021 -15.992 11.834 228 3HD1 ILE 34 3HD1 ILE 34 8.531 -16.591 11.139 229 H ILE 35 H ILE 35 3.375 -13.692 8.812 230 HA ILE 35 HA ILE 35 0.697 -14.162 9.456 231 HB ILE 35 HB ILE 35 1.944 -13.030 6.947 232 1HG1 ILE 35 1HG1 ILE 35 0.758 -11.557 9.293 233 2HG1 ILE 35 2HG1 ILE 35 2.449 -12.033 9.255 234 1HG2 ILE 35 1HG2 ILE 35 -0.906 -12.798 7.986 235 2HG2 ILE 35 2HG2 ILE 35 -0.400 -13.680 6.544 236 3HG2 ILE 35 3HG2 ILE 35 -0.245 -11.931 6.595 237 1HD1 ILE 35 1HD1 ILE 35 2.871 -10.655 7.406 238 2HD1 ILE 35 2HD1 ILE 35 1.934 -9.686 8.563 239 3HD1 ILE 35 3HD1 ILE 35 1.157 -10.412 7.135 240 H CYS 36 H CYS 36 -0.471 -15.870 9.052 241 HA CYS 36 HA CYS 36 0.424 -17.816 7.063 242 1HB CYS 36 1HB CYS 36 0.131 -18.462 9.435 243 2HB CYS 36 2HB CYS 36 -1.589 -18.120 9.298 244 HG CYS 36 HG CYS 36 -2.217 -20.211 7.729 245 H SER 37 H SER 37 -2.510 -16.047 8.108 246 HA SER 37 HA SER 37 -3.530 -16.304 5.422 247 1HB SER 37 1HB SER 37 -5.808 -16.904 6.354 248 2HB SER 37 2HB SER 37 -4.601 -18.178 6.504 249 HG SER 37 HG SER 37 -4.885 -18.119 8.558 250 H LEU 38 H LEU 38 -5.209 -14.712 4.955 251 HA LEU 38 HA LEU 38 -5.211 -12.402 6.775 252 1HB LEU 38 1HB LEU 38 -3.557 -12.053 5.013 253 2HB LEU 38 2HB LEU 38 -4.733 -12.461 3.788 254 HG LEU 38 HG LEU 38 -5.997 -10.398 4.344 255 1HD1 LEU 38 1HD1 LEU 38 -5.320 -10.152 6.657 256 2HD1 LEU 38 2HD1 LEU 38 -4.904 -8.709 5.727 257 3HD1 LEU 38 3HD1 LEU 38 -3.658 -9.872 6.147 258 1HD2 LEU 38 1HD2 LEU 38 -4.406 -8.826 3.393 259 2HD2 LEU 38 2HD2 LEU 38 -4.333 -10.373 2.538 260 3HD2 LEU 38 3HD2 LEU 38 -3.091 -9.943 3.719 261 H MET 39 H MET 39 -7.186 -11.272 6.802 262 HA MET 39 HA MET 39 -9.423 -12.451 5.365 263 1HB MET 39 1HB MET 39 -9.695 -11.814 7.753 264 2HB MET 39 2HB MET 39 -9.338 -10.146 7.340 265 1HG MET 39 1HG MET 39 -11.355 -10.086 5.924 266 2HG MET 39 2HG MET 39 -11.712 -11.746 6.400 267 1HE MET 39 1HE MET 39 -14.142 -10.994 7.166 268 2HE MET 39 2HE MET 39 -13.771 -9.340 6.686 269 3HE MET 39 3HE MET 39 -14.448 -9.664 8.280 270 H ARG 40 H ARG 40 -9.847 -11.770 3.414 271 HA ARG 40 HA ARG 40 -8.382 -9.554 2.360 272 1HB ARG 40 1HB ARG 40 -9.180 -11.864 1.268 273 2HB ARG 40 2HB ARG 40 -10.490 -10.817 0.722 274 1HG ARG 40 1HG ARG 40 -7.591 -10.167 0.348 275 2HG ARG 40 2HG ARG 40 -8.550 -11.031 -0.865 276 1HD ARG 40 1HD ARG 40 -9.840 -9.110 -1.282 277 2HD ARG 40 2HD ARG 40 -9.312 -8.338 0.218 278 HE ARG 40 HE ARG 40 -7.024 -8.545 -0.915 279 1HH1 ARG 40 1HH1 ARG 40 -10.050 -7.558 -2.473 280 2HH1 ARG 40 2HH1 ARG 40 -9.308 -6.603 -3.666 281 1HH2 ARG 40 1HH2 ARG 40 -6.003 -7.227 -2.517 282 2HH2 ARG 40 2HH2 ARG 40 -6.925 -6.374 -3.676 283 H GLY 41 H GLY 41 -8.989 -7.579 2.259 284 1HA GLY 41 1HA GLY 41 -10.486 -5.946 1.534 285 2HA GLY 41 2HA GLY 41 -11.827 -6.964 2.061 286 H GLY 42 H GLY 42 -9.916 -7.484 4.446 287 1HA GLY 42 1HA GLY 42 -11.214 -5.570 6.174 288 2HA GLY 42 2HA GLY 42 -10.176 -6.900 6.676 289 H ILE 43 H ILE 43 -9.700 -4.780 8.049 290 HA ILE 43 HA ILE 43 -8.182 -2.751 7.013 291 HB ILE 43 HB ILE 43 -7.102 -2.685 9.392 292 1HG1 ILE 43 1HG1 ILE 43 -9.515 -4.419 9.938 293 2HG1 ILE 43 2HG1 ILE 43 -7.837 -4.933 10.085 294 1HG2 ILE 43 1HG2 ILE 43 -9.990 -2.052 8.851 295 2HG2 ILE 43 2HG2 ILE 43 -8.570 -1.020 8.599 296 3HG2 ILE 43 3HG2 ILE 43 -9.052 -1.462 10.230 297 1HD1 ILE 43 1HD1 ILE 43 -8.804 -4.393 12.255 298 2HD1 ILE 43 2HD1 ILE 43 -9.172 -2.760 11.692 299 3HD1 ILE 43 3HD1 ILE 43 -7.498 -3.275 11.860 300 H ALA 44 H ALA 44 -7.047 -5.902 8.030 301 HA ALA 44 HA ALA 44 -4.324 -5.258 7.965 302 1HB ALA 44 1HB ALA 44 -5.181 -7.231 9.070 303 2HB ALA 44 2HB ALA 44 -3.966 -7.689 7.864 304 3HB ALA 44 3HB ALA 44 -5.678 -7.903 7.526 305 H GLU 45 H GLU 45 -6.494 -6.340 5.405 306 HA GLU 45 HA GLU 45 -4.516 -6.777 3.409 307 1HB GLU 45 1HB GLU 45 -6.749 -7.675 3.125 308 2HB GLU 45 2HB GLU 45 -7.456 -6.074 3.219 309 1HG GLU 45 1HG GLU 45 -7.499 -6.816 0.942 310 2HG GLU 45 2HG GLU 45 -6.345 -5.497 1.089 311 H ARG 46 H ARG 46 -6.500 -4.031 4.253 312 HA ARG 46 HA ARG 46 -5.321 -2.342 2.232 313 1HB ARG 46 1HB ARG 46 -7.107 -1.618 4.554 314 2HB ARG 46 2HB ARG 46 -6.607 -0.500 3.295 315 1HG ARG 46 1HG ARG 46 -7.710 -1.911 1.621 316 2HG ARG 46 2HG ARG 46 -8.250 -2.995 2.907 317 1HD ARG 46 1HD ARG 46 -9.477 -1.133 3.936 318 2HD ARG 46 2HD ARG 46 -8.949 -0.074 2.632 319 HE ARG 46 HE ARG 46 -10.157 -2.144 1.366 320 1HH1 ARG 46 1HH1 ARG 46 -11.206 0.111 3.892 321 2HH1 ARG 46 2HH1 ARG 46 -12.837 0.097 3.399 322 1HH2 ARG 46 1HH2 ARG 46 -12.313 -2.165 0.718 323 2HH2 ARG 46 2HH2 ARG 46 -13.525 -1.250 1.524 324 H GLY 47 H GLY 47 -4.555 -3.214 5.383 325 1HA GLY 47 1HA GLY 47 -2.881 -1.038 6.077 326 2HA GLY 47 2HA GLY 47 -2.871 -2.614 6.822 327 H GLY 48 H GLY 48 -2.517 -3.963 4.229 328 1HA GLY 48 1HA GLY 48 -0.840 -3.975 2.493 329 2HA GLY 48 2HA GLY 48 0.249 -3.164 3.607 330 H VAL 49 H VAL 49 -1.653 -5.576 5.069 331 HA VAL 49 HA VAL 49 0.602 -7.142 5.770 332 HB VAL 49 HB VAL 49 -2.358 -7.550 6.031 333 1HG1 VAL 49 1HG1 VAL 49 -0.173 -9.069 7.440 334 2HG1 VAL 49 2HG1 VAL 49 -1.120 -9.725 6.097 335 3HG1 VAL 49 3HG1 VAL 49 -1.904 -9.354 7.635 336 1HG2 VAL 49 1HG2 VAL 49 -1.549 -5.705 7.312 337 2HG2 VAL 49 2HG2 VAL 49 -0.323 -6.747 8.075 338 3HG2 VAL 49 3HG2 VAL 49 -2.030 -7.014 8.389 339 H ARG 50 H ARG 50 1.327 -8.991 4.872 340 HA ARG 50 HA ARG 50 -0.149 -10.177 2.642 341 1HB ARG 50 1HB ARG 50 2.742 -9.326 2.680 342 2HB ARG 50 2HB ARG 50 2.068 -10.432 1.491 343 1HG ARG 50 1HG ARG 50 0.960 -7.712 1.968 344 2HG ARG 50 2HG ARG 50 2.262 -8.006 0.789 345 1HD ARG 50 1HD ARG 50 0.792 -9.499 -0.441 346 2HD ARG 50 2HD ARG 50 -0.440 -9.359 0.801 347 HE ARG 50 HE ARG 50 -0.785 -7.116 0.172 348 1HH1 ARG 50 1HH1 ARG 50 1.332 -8.841 -2.101 349 2HH1 ARG 50 2HH1 ARG 50 0.777 -7.975 -3.470 350 1HH2 ARG 50 1HH2 ARG 50 -1.524 -5.960 -1.748 351 2HH2 ARG 50 2HH2 ARG 50 -0.821 -6.321 -3.263 352 H VAL 51 H VAL 51 0.104 -12.193 2.362 353 HA VAL 51 HA VAL 51 0.659 -13.685 4.761 354 HB VAL 51 HB VAL 51 -0.514 -14.295 2.096 355 1HG1 VAL 51 1HG1 VAL 51 0.684 -16.330 2.812 356 2HG1 VAL 51 2HG1 VAL 51 -1.059 -16.588 2.942 357 3HG1 VAL 51 3HG1 VAL 51 -0.101 -16.242 4.387 358 1HG2 VAL 51 1HG2 VAL 51 -1.919 -13.092 3.610 359 2HG2 VAL 51 2HG2 VAL 51 -1.657 -14.306 4.862 360 3HG2 VAL 51 3HG2 VAL 51 -2.551 -14.726 3.399 361 H GLY 52 H GLY 52 2.279 -15.162 5.068 362 1HA GLY 52 1HA GLY 52 4.179 -16.401 4.498 363 2HA GLY 52 2HA GLY 52 4.148 -15.673 2.892 364 H HIS 53 H HIS 53 3.728 -13.700 5.581 365 HA HIS 53 HA HIS 53 6.439 -12.637 5.256 366 1HB HIS 53 1HB HIS 53 3.831 -11.251 5.522 367 2HB HIS 53 2HB HIS 53 5.249 -10.507 6.241 368 HD1 HIS 53 HD1 HIS 53 5.539 -8.558 4.600 369 HD2 HIS 53 HD2 HIS 53 5.227 -12.263 2.715 370 HE1 HIS 53 HE1 HIS 53 6.069 -8.150 2.192 371 HE2 HIS 53 HE2 HIS 53 5.380 -10.328 1.102 372 H ARG 54 H ARG 54 7.662 -12.320 6.937 373 HA ARG 54 HA ARG 54 6.726 -13.184 9.578 374 1HB ARG 54 1HB ARG 54 8.875 -14.105 8.851 375 2HB ARG 54 2HB ARG 54 9.520 -12.469 8.580 376 1HG ARG 54 1HG ARG 54 9.022 -12.161 11.069 377 2HG ARG 54 2HG ARG 54 8.894 -13.922 11.129 378 1HD ARG 54 1HD ARG 54 11.281 -12.285 10.270 379 2HD ARG 54 2HD ARG 54 11.121 -13.155 11.786 380 HE ARG 54 HE ARG 54 11.800 -14.209 9.164 381 1HH1 ARG 54 1HH1 ARG 54 10.737 -15.155 12.466 382 2HH1 ARG 54 2HH1 ARG 54 11.704 -16.562 12.436 383 1HH2 ARG 54 1HH2 ARG 54 13.094 -16.164 9.243 384 2HH2 ARG 54 2HH2 ARG 54 12.991 -17.142 10.663 385 H ILE 55 H ILE 55 6.038 -11.642 10.922 386 HA ILE 55 HA ILE 55 6.625 -8.881 10.410 387 HB ILE 55 HB ILE 55 5.313 -10.125 12.829 388 1HG1 ILE 55 1HG1 ILE 55 4.076 -9.062 10.278 389 2HG1 ILE 55 2HG1 ILE 55 4.031 -10.715 10.884 390 1HG2 ILE 55 1HG2 ILE 55 5.292 -7.290 11.780 391 2HG2 ILE 55 2HG2 ILE 55 6.143 -7.859 13.214 392 3HG2 ILE 55 3HG2 ILE 55 4.379 -7.869 13.174 393 1HD1 ILE 55 1HD1 ILE 55 1.950 -9.529 11.260 394 2HD1 ILE 55 2HD1 ILE 55 2.893 -8.337 12.204 395 3HD1 ILE 55 3HD1 ILE 55 2.766 -10.006 12.774 396 H ILE 56 H ILE 56 8.242 -7.835 11.220 397 HA ILE 56 HA ILE 56 9.761 -9.148 13.278 398 HB ILE 56 HB ILE 56 11.740 -7.950 12.607 399 1HG1 ILE 56 1HG1 ILE 56 10.052 -6.791 10.393 400 2HG1 ILE 56 2HG1 ILE 56 10.617 -5.909 11.818 401 1HG2 ILE 56 1HG2 ILE 56 10.316 -9.281 10.299 402 2HG2 ILE 56 2HG2 ILE 56 11.296 -10.086 11.525 403 3HG2 ILE 56 3HG2 ILE 56 12.044 -8.958 10.390 404 1HD1 ILE 56 1HD1 ILE 56 12.307 -7.233 9.780 405 2HD1 ILE 56 2HD1 ILE 56 12.868 -6.331 11.192 406 3HD1 ILE 56 3HD1 ILE 56 11.999 -5.486 9.874 407 H GLU 57 H GLU 57 7.730 -6.529 12.820 408 HA GLU 57 HA GLU 57 8.431 -5.466 15.419 409 1HB GLU 57 1HB GLU 57 10.049 -4.271 13.939 410 2HB GLU 57 2HB GLU 57 8.695 -3.688 12.979 411 1HG GLU 57 1HG GLU 57 7.821 -2.595 15.030 412 2HG GLU 57 2HG GLU 57 9.297 -3.059 15.848 413 H ILE 58 H ILE 58 6.822 -4.414 16.312 414 HA ILE 58 HA ILE 58 4.493 -3.666 14.703 415 HB ILE 58 HB ILE 58 4.466 -5.210 17.290 416 1HG1 ILE 58 1HG1 ILE 58 3.234 -6.080 14.680 417 2HG1 ILE 58 2HG1 ILE 58 4.893 -6.482 15.121 418 1HG2 ILE 58 1HG2 ILE 58 2.155 -4.129 15.622 419 2HG2 ILE 58 2HG2 ILE 58 2.678 -3.476 17.155 420 3HG2 ILE 58 3HG2 ILE 58 1.975 -5.097 17.090 421 1HD1 ILE 58 1HD1 ILE 58 2.427 -7.231 16.672 422 2HD1 ILE 58 2HD1 ILE 58 4.109 -7.589 17.088 423 3HD1 ILE 58 3HD1 ILE 58 3.404 -8.300 15.640 424 H ASN 59 H ASN 59 4.096 -1.624 15.182 425 HA ASN 59 HA ASN 59 3.714 0.335 16.278 426 1HB ASN 59 1HB ASN 59 2.515 -1.310 17.838 427 2HB ASN 59 2HB ASN 59 3.925 -1.202 18.878 428 1HD2 ASN 59 1HD2 ASN 59 1.159 0.422 17.629 429 2HD2 ASN 59 2HD2 ASN 59 1.152 1.734 18.747 430 H GLY 60 H GLY 60 6.572 -1.037 16.185 431 1HA GLY 60 1HA GLY 60 8.491 0.468 16.227 432 2HA GLY 60 2HA GLY 60 7.872 1.091 17.749 433 H GLN 61 H GLN 61 7.244 -2.023 18.088 434 HA GLN 61 HA GLN 61 9.874 -2.497 19.259 435 1HB GLN 61 1HB GLN 61 8.760 -3.918 20.940 436 2HB GLN 61 2HB GLN 61 8.211 -2.256 20.998 437 1HG GLN 61 1HG GLN 61 6.224 -3.027 19.615 438 2HG GLN 61 2HG GLN 61 6.754 -4.670 19.972 439 1HE2 GLN 61 1HE2 GLN 61 6.632 -5.431 22.119 440 2HE2 GLN 61 2HE2 GLN 61 5.646 -4.627 23.283 441 H SER 62 H SER 62 11.053 -3.992 18.584 442 HA SER 62 HA SER 62 10.395 -5.686 16.447 443 1HB SER 62 1HB SER 62 12.708 -4.934 17.043 444 2HB SER 62 2HB SER 62 12.635 -5.946 18.478 445 HG SER 62 HG SER 62 13.108 -6.585 15.870 446 H VAL 63 H VAL 63 8.975 -7.360 16.596 447 HA VAL 63 HA VAL 63 8.747 -8.766 19.150 448 HB VAL 63 HB VAL 63 6.502 -9.322 18.379 449 1HG1 VAL 63 1HG1 VAL 63 5.525 -7.040 18.471 450 2HG1 VAL 63 2HG1 VAL 63 7.119 -6.357 18.140 451 3HG1 VAL 63 3HG1 VAL 63 6.836 -7.229 19.637 452 1HG2 VAL 63 1HG2 VAL 63 7.040 -9.399 15.977 453 2HG2 VAL 63 2HG2 VAL 63 7.152 -7.635 15.951 454 3HG2 VAL 63 3HG2 VAL 63 5.618 -8.422 16.297 455 H VAL 64 H VAL 64 10.530 -9.062 16.703 456 HA VAL 64 HA VAL 64 9.685 -11.357 15.302 457 HB VAL 64 HB VAL 64 11.258 -9.537 14.592 458 1HG1 VAL 64 1HG1 VAL 64 13.272 -11.174 16.033 459 2HG1 VAL 64 2HG1 VAL 64 12.784 -9.516 16.377 460 3HG1 VAL 64 3HG1 VAL 64 13.650 -9.892 14.878 461 1HG2 VAL 64 1HG2 VAL 64 10.782 -11.309 13.176 462 2HG2 VAL 64 2HG2 VAL 64 11.897 -12.405 14.014 463 3HG2 VAL 64 3HG2 VAL 64 12.523 -11.030 13.080 464 H ALA 65 H ALA 65 11.203 -11.025 18.336 465 HA ALA 65 HA ALA 65 11.611 -13.931 18.460 466 1HB ALA 65 1HB ALA 65 13.509 -13.517 19.960 467 2HB ALA 65 2HB ALA 65 13.282 -11.776 19.736 468 3HB ALA 65 3HB ALA 65 13.773 -12.777 18.376 469 H THR 66 H THR 66 9.471 -11.857 19.192 470 HA THR 66 HA THR 66 9.359 -11.923 22.037 471 HB THR 66 HB THR 66 7.734 -10.804 19.756 472 HG1 THR 66 HG1 THR 66 9.816 -9.984 21.229 473 1HG2 THR 66 1HG2 THR 66 7.210 -10.343 22.712 474 2HG2 THR 66 2HG2 THR 66 6.185 -11.282 21.606 475 3HG2 THR 66 3HG2 THR 66 6.398 -9.562 21.345 476 HA PRO 67 HA PRO 67 7.112 -15.816 22.363 477 1HB PRO 67 1HB PRO 67 5.341 -14.234 24.168 478 2HB PRO 67 2HB PRO 67 6.096 -15.809 24.438 479 1HG PRO 67 1HG PRO 67 7.051 -13.599 25.569 480 2HG PRO 67 2HG PRO 67 8.130 -14.893 25.006 481 1HD PRO 67 1HD PRO 67 7.629 -12.205 23.853 482 2HD PRO 67 2HD PRO 67 9.075 -13.228 23.749 483 H HIS 68 H HIS 68 5.383 -16.706 21.457 484 HA HIS 68 HA HIS 68 3.939 -15.578 19.387 485 1HB HIS 68 1HB HIS 68 4.218 -17.995 19.740 486 2HB HIS 68 2HB HIS 68 3.178 -17.918 21.150 487 HD1 HIS 68 HD1 HIS 68 0.642 -17.986 20.747 488 HD2 HIS 68 HD2 HIS 68 2.896 -17.842 17.265 489 HE1 HIS 68 HE1 HIS 68 -0.963 -18.412 18.905 490 HE2 HIS 68 HE2 HIS 68 0.549 -18.871 16.989 491 H GLU 69 H GLU 69 2.790 -16.165 22.707 492 HA GLU 69 HA GLU 69 0.213 -15.087 22.209 493 1HB GLU 69 1HB GLU 69 0.909 -16.663 24.080 494 2HB GLU 69 2HB GLU 69 1.542 -15.224 24.877 495 1HG GLU 69 1HG GLU 69 -0.692 -14.209 24.782 496 2HG GLU 69 2HG GLU 69 -1.318 -15.697 24.082 497 H LYS 70 H LYS 70 3.262 -13.746 23.294 498 HA LYS 70 HA LYS 70 2.193 -11.273 24.109 499 1HB LYS 70 1HB LYS 70 4.957 -12.077 23.307 500 2HB LYS 70 2HB LYS 70 4.565 -10.391 23.377 501 1HG LYS 70 1HG LYS 70 3.575 -11.091 25.732 502 2HG LYS 70 2HG LYS 70 4.836 -12.331 25.580 503 1HD LYS 70 1HD LYS 70 6.489 -10.601 25.170 504 2HD LYS 70 2HD LYS 70 5.228 -9.372 25.215 505 1HE LYS 70 1HE LYS 70 6.273 -11.045 27.488 506 2HE LYS 70 2HE LYS 70 6.282 -9.288 27.250 507 1HZ LYS 70 1HZ LYS 70 3.895 -10.961 27.764 508 2HZ LYS 70 2HZ LYS 70 3.841 -9.309 27.436 509 3HZ LYS 70 3HZ LYS 70 4.619 -9.891 28.839 510 H ILE 71 H ILE 71 3.674 -12.227 21.112 511 HA ILE 71 HA ILE 71 3.383 -9.922 19.671 512 HB ILE 71 HB ILE 71 2.968 -12.750 18.632 513 1HG1 ILE 71 1HG1 ILE 71 5.476 -11.070 18.819 514 2HG1 ILE 71 2HG1 ILE 71 5.096 -12.493 19.778 515 1HG2 ILE 71 1HG2 ILE 71 3.656 -11.922 16.491 516 2HG2 ILE 71 2HG2 ILE 71 3.776 -10.278 17.138 517 3HG2 ILE 71 3HG2 ILE 71 2.191 -11.080 17.025 518 1HD1 ILE 71 1HD1 ILE 71 5.523 -12.441 16.804 519 2HD1 ILE 71 2HD1 ILE 71 5.176 -13.879 17.769 520 3HD1 ILE 71 3HD1 ILE 71 6.685 -12.987 18.007 521 H VAL 72 H VAL 72 0.958 -12.440 20.234 522 HA VAL 72 HA VAL 72 -1.050 -11.163 18.657 523 HB VAL 72 HB VAL 72 -1.326 -13.319 20.784 524 1HG1 VAL 72 1HG1 VAL 72 -3.478 -13.829 19.748 525 2HG1 VAL 72 2HG1 VAL 72 -3.284 -12.454 18.655 526 3HG1 VAL 72 3HG1 VAL 72 -3.455 -12.188 20.392 527 1HG2 VAL 72 1HG2 VAL 72 -1.150 -13.514 17.786 528 2HG2 VAL 72 2HG2 VAL 72 -1.433 -14.867 18.894 529 3HG2 VAL 72 3HG2 VAL 72 0.098 -13.988 18.938 530 H HIS 73 H HIS 73 -0.148 -11.105 22.052 531 HA HIS 73 HA HIS 73 -2.433 -9.784 23.088 532 1HB HIS 73 1HB HIS 73 -0.796 -11.033 24.503 533 2HB HIS 73 2HB HIS 73 0.419 -9.816 24.148 534 HD1 HIS 73 HD1 HIS 73 -1.906 -10.755 26.693 535 HD2 HIS 73 HD2 HIS 73 -0.509 -7.123 25.217 536 HE1 HIS 73 HE1 HIS 73 -2.391 -9.063 28.467 537 HE2 HIS 73 HE2 HIS 73 -1.198 -6.997 27.681 538 H ILE 74 H ILE 74 0.740 -8.648 21.943 539 HA ILE 74 HA ILE 74 0.304 -5.955 22.455 540 HB ILE 74 HB ILE 74 2.186 -7.414 20.581 541 1HG1 ILE 74 1HG1 ILE 74 3.956 -6.153 22.017 542 2HG1 ILE 74 2HG1 ILE 74 2.613 -5.771 23.084 543 1HG2 ILE 74 1HG2 ILE 74 1.978 -4.438 20.777 544 2HG2 ILE 74 2HG2 ILE 74 1.582 -5.457 19.392 545 3HG2 ILE 74 3HG2 ILE 74 3.262 -5.332 19.942 546 1HD1 ILE 74 1HD1 ILE 74 3.540 -8.550 22.407 547 2HD1 ILE 74 2HD1 ILE 74 2.314 -8.103 23.576 548 3HD1 ILE 74 3HD1 ILE 74 3.996 -7.664 23.865 549 H LEU 75 H LEU 75 -0.230 -7.885 19.500 550 HA LEU 75 HA LEU 75 -1.251 -5.781 17.933 551 1HB LEU 75 1HB LEU 75 -1.690 -8.745 17.794 552 2HB LEU 75 2HB LEU 75 -2.388 -7.635 16.634 553 HG LEU 75 HG LEU 75 0.556 -7.975 17.128 554 1HD1 LEU 75 1HD1 LEU 75 -1.185 -8.949 14.861 555 2HD1 LEU 75 2HD1 LEU 75 -0.452 -9.959 16.105 556 3HD1 LEU 75 3HD1 LEU 75 0.571 -9.099 14.955 557 1HD2 LEU 75 1HD2 LEU 75 -0.063 -5.724 16.358 558 2HD2 LEU 75 2HD2 LEU 75 -0.960 -6.426 15.017 559 3HD2 LEU 75 3HD2 LEU 75 0.792 -6.612 15.101 560 H SER 76 H SER 76 -2.913 -8.104 19.950 561 HA SER 76 HA SER 76 -5.514 -7.368 19.318 562 1HB SER 76 1HB SER 76 -4.851 -9.489 20.467 563 2HB SER 76 2HB SER 76 -4.553 -8.561 21.933 564 HG SER 76 HG SER 76 -6.621 -9.399 22.060 565 H ASN 77 H ASN 77 -3.233 -5.789 21.438 566 HA ASN 77 HA ASN 77 -5.439 -4.248 22.606 567 1HB ASN 77 1HB ASN 77 -2.653 -4.751 23.610 568 2HB ASN 77 2HB ASN 77 -3.652 -3.451 24.259 569 1HD2 ASN 77 1HD2 ASN 77 -3.339 -6.885 23.890 570 2HD2 ASN 77 2HD2 ASN 77 -4.516 -7.333 25.089 571 H ALA 78 H ALA 78 -3.061 -3.897 20.254 572 HA ALA 78 HA ALA 78 -2.782 -1.070 20.751 573 1HB ALA 78 1HB ALA 78 -1.139 -1.098 18.889 574 2HB ALA 78 2HB ALA 78 -1.528 -2.783 18.569 575 3HB ALA 78 3HB ALA 78 -0.766 -2.333 20.086 576 H VAL 79 H VAL 79 -3.767 0.516 19.652 577 HA VAL 79 HA VAL 79 -5.225 -0.222 17.225 578 HB VAL 79 HB VAL 79 -7.216 0.797 17.815 579 1HG1 VAL 79 1HG1 VAL 79 -6.270 -0.037 20.442 580 2HG1 VAL 79 2HG1 VAL 79 -6.984 -0.983 19.138 581 3HG1 VAL 79 3HG1 VAL 79 -7.948 0.261 19.945 582 1HG2 VAL 79 1HG2 VAL 79 -5.908 2.517 19.907 583 2HG2 VAL 79 2HG2 VAL 79 -7.618 2.506 19.358 584 3HG2 VAL 79 3HG2 VAL 79 -6.337 2.981 18.244 585 H GLY 80 H GLY 80 -5.934 2.043 16.117 586 1HA GLY 80 1HA GLY 80 -5.315 4.114 15.337 587 2HA GLY 80 2HA GLY 80 -3.850 4.037 16.316 588 H GLU 81 H GLU 81 -2.832 4.795 14.340 589 HA GLU 81 HA GLU 81 -2.469 2.918 12.242 590 1HB GLU 81 1HB GLU 81 -1.162 5.516 13.005 591 2HB GLU 81 2HB GLU 81 -0.681 4.608 11.585 592 1HG GLU 81 1HG GLU 81 -2.901 4.768 10.703 593 2HG GLU 81 2HG GLU 81 -3.428 5.681 12.124 594 H ILE 82 H ILE 82 -1.308 1.263 12.447 595 HA ILE 82 HA ILE 82 0.769 1.093 14.568 596 HB ILE 82 HB ILE 82 -1.006 -1.115 13.483 597 1HG1 ILE 82 1HG1 ILE 82 -1.080 0.164 16.222 598 2HG1 ILE 82 2HG1 ILE 82 -2.126 0.664 14.902 599 1HG2 ILE 82 1HG2 ILE 82 0.979 -1.102 15.774 600 2HG2 ILE 82 2HG2 ILE 82 1.192 -1.918 14.227 601 3HG2 ILE 82 3HG2 ILE 82 -0.078 -2.446 15.334 602 1HD1 ILE 82 1HD1 ILE 82 -2.034 -2.117 16.057 603 2HD1 ILE 82 2HD1 ILE 82 -3.203 -1.479 14.875 604 3HD1 ILE 82 3HD1 ILE 82 -3.181 -0.864 16.513 605 H HIS 83 H HIS 83 2.720 0.997 13.739 606 HA HIS 83 HA HIS 83 3.217 0.172 10.994 607 1HB HIS 83 1HB HIS 83 5.251 0.642 13.194 608 2HB HIS 83 2HB HIS 83 5.577 0.486 11.484 609 HD1 HIS 83 HD1 HIS 83 5.998 2.831 13.755 610 HD2 HIS 83 HD2 HIS 83 3.706 2.828 10.321 611 HE1 HIS 83 HE1 HIS 83 5.713 5.255 13.145 612 HE2 HIS 83 HE2 HIS 83 4.418 5.225 10.992 613 H MET 84 H MET 84 3.744 -1.790 10.423 614 HA MET 84 HA MET 84 5.079 -3.463 12.403 615 1HB MET 84 1HB MET 84 3.218 -4.418 10.267 616 2HB MET 84 2HB MET 84 4.103 -5.434 11.392 617 1HG MET 84 1HG MET 84 2.748 -4.410 13.222 618 2HG MET 84 2HG MET 84 1.781 -3.612 11.971 619 1HE MET 84 1HE MET 84 2.524 -6.283 9.953 620 2HE MET 84 2HE MET 84 1.173 -5.187 9.780 621 3HE MET 84 3HE MET 84 0.884 -6.949 9.894 622 H LYS 85 H LYS 85 6.620 -4.782 11.434 623 HA LYS 85 HA LYS 85 7.362 -3.880 8.737 624 1HB LYS 85 1HB LYS 85 9.148 -4.692 11.041 625 2HB LYS 85 2HB LYS 85 9.713 -4.363 9.417 626 1HG LYS 85 1HG LYS 85 8.270 -2.381 11.053 627 2HG LYS 85 2HG LYS 85 10.041 -2.573 11.125 628 1HD LYS 85 1HD LYS 85 9.858 -2.306 8.553 629 2HD LYS 85 2HD LYS 85 8.269 -1.629 8.909 630 1HE LYS 85 1HE LYS 85 9.333 -0.045 10.455 631 2HE LYS 85 2HE LYS 85 10.878 -0.786 9.995 632 1HZ LYS 85 1HZ LYS 85 9.092 0.483 8.021 633 2HZ LYS 85 2HZ LYS 85 10.725 0.043 7.832 634 3HZ LYS 85 3HZ LYS 85 10.310 1.341 8.828 635 H THR 86 H THR 86 7.234 -5.463 7.404 636 HA THR 86 HA THR 86 7.481 -8.167 8.502 637 HB THR 86 HB THR 86 5.810 -8.970 6.999 638 HG1 THR 86 HG1 THR 86 5.812 -6.300 5.990 639 1HG2 THR 86 1HG2 THR 86 4.730 -6.445 8.245 640 2HG2 THR 86 2HG2 THR 86 5.107 -7.901 9.128 641 3HG2 THR 86 3HG2 THR 86 3.817 -7.923 7.902 642 H MET 87 H MET 87 8.538 -9.674 7.255 643 HA MET 87 HA MET 87 9.891 -8.667 4.820 644 1HB MET 87 1HB MET 87 10.899 -10.732 6.810 645 2HB MET 87 2HB MET 87 11.760 -10.186 5.378 646 1HG MET 87 1HG MET 87 11.791 -7.910 6.387 647 2HG MET 87 2HG MET 87 11.134 -8.638 7.862 648 1HE MET 87 1HE MET 87 12.698 -11.506 7.764 649 2HE MET 87 2HE MET 87 12.390 -10.570 9.217 650 3HE MET 87 3HE MET 87 14.028 -11.121 8.853 651 HA PRO 88 HA PRO 88 8.011 -12.298 2.837 652 1HB PRO 88 1HB PRO 88 10.650 -13.137 1.751 653 2HB PRO 88 2HB PRO 88 9.182 -12.681 0.883 654 1HG PRO 88 1HG PRO 88 11.258 -11.041 0.900 655 2HG PRO 88 2HG PRO 88 9.617 -10.397 1.086 656 1HD PRO 88 1HD PRO 88 11.667 -10.948 3.211 657 2HD PRO 88 2HD PRO 88 10.688 -9.484 2.962 658 H ALA 89 H ALA 89 9.188 -12.617 5.443 659 HA ALA 89 HA ALA 89 9.420 -14.057 7.065 660 1HB ALA 89 1HB ALA 89 8.478 -16.249 6.938 661 2HB ALA 89 2HB ALA 89 8.462 -16.174 5.161 662 3HB ALA 89 3HB ALA 89 7.461 -15.067 6.117 663 H ALA 90 H ALA 90 11.607 -13.534 5.338 664 HA ALA 90 HA ALA 90 13.330 -15.748 5.287 665 1HB ALA 90 1HB ALA 90 15.116 -14.064 5.102 666 2HB ALA 90 2HB ALA 90 13.974 -12.802 5.555 667 3HB ALA 90 3HB ALA 90 13.771 -13.664 4.029 Start of MODEL 6 1 H GLU 7 1H GLU 7 21.104 -6.214 13.847 2 HA GLU 7 HA GLU 7 18.182 -5.978 13.691 3 1HB GLU 7 1HB GLU 7 20.406 -4.025 13.002 4 2HB GLU 7 2HB GLU 7 18.754 -3.836 12.443 5 1HG GLU 7 1HG GLU 7 19.208 -2.402 14.361 6 2HG GLU 7 2HG GLU 7 17.996 -3.613 14.767 7 H THR 8 H THR 8 17.322 -6.340 11.742 8 HA THR 8 HA THR 8 19.111 -7.618 9.831 9 HB THR 8 HB THR 8 17.171 -8.934 10.645 10 HG1 THR 8 HG1 THR 8 17.292 -9.809 8.799 11 1HG2 THR 8 1HG2 THR 8 15.520 -6.818 9.254 12 2HG2 THR 8 2HG2 THR 8 15.579 -7.107 10.992 13 3HG2 THR 8 3HG2 THR 8 14.895 -8.330 9.916 14 H MET 9 H MET 9 18.250 -7.313 7.469 15 HA MET 9 HA MET 9 17.288 -4.712 6.774 16 1HB MET 9 1HB MET 9 19.655 -4.301 7.531 17 2HB MET 9 2HB MET 9 20.198 -5.368 6.252 18 1HG MET 9 1HG MET 9 19.212 -3.834 4.596 19 2HG MET 9 2HG MET 9 18.761 -2.749 5.908 20 1HE MET 9 1HE MET 9 21.421 -3.278 7.823 21 2HE MET 9 2HE MET 9 20.600 -1.734 7.624 22 3HE MET 9 3HE MET 9 22.337 -1.842 7.366 23 H GLY 10 H GLY 10 17.077 -4.591 4.377 24 1HA GLY 10 1HA GLY 10 17.732 -5.703 2.295 25 2HA GLY 10 2HA GLY 10 17.439 -7.220 3.133 26 H ASN 11 H ASN 11 15.391 -7.929 3.412 27 HA ASN 11 HA ASN 11 13.390 -6.519 1.790 28 1HB ASN 11 1HB ASN 11 13.478 -9.436 2.582 29 2HB ASN 11 2HB ASN 11 12.168 -8.676 1.689 30 1HD2 ASN 11 1HD2 ASN 11 13.780 -10.895 0.865 31 2HD2 ASN 11 2HD2 ASN 11 14.659 -10.394 -0.524 32 H VAL 12 H VAL 12 12.318 -5.220 3.012 33 HA VAL 12 HA VAL 12 10.839 -6.335 5.191 34 HB VAL 12 HB VAL 12 12.548 -3.841 5.419 35 1HG1 VAL 12 1HG1 VAL 12 10.330 -4.800 7.238 36 2HG1 VAL 12 2HG1 VAL 12 10.295 -3.347 6.245 37 3HG1 VAL 12 3HG1 VAL 12 11.432 -3.468 7.599 38 1HG2 VAL 12 1HG2 VAL 12 13.619 -5.966 6.075 39 2HG2 VAL 12 2HG2 VAL 12 12.275 -6.214 7.212 40 3HG2 VAL 12 3HG2 VAL 12 13.389 -4.872 7.453 41 H THR 13 H THR 13 8.925 -5.768 5.028 42 HA THR 13 HA THR 13 8.086 -3.510 3.368 43 HB THR 13 HB THR 13 6.910 -6.207 3.912 44 HG1 THR 13 HG1 THR 13 7.737 -5.130 1.414 45 1HG2 THR 13 1HG2 THR 13 5.829 -3.947 2.235 46 2HG2 THR 13 2HG2 THR 13 5.188 -4.540 3.771 47 3HG2 THR 13 3HG2 THR 13 5.120 -5.569 2.329 48 H THR 14 H THR 14 7.628 -2.007 4.755 49 HA THR 14 HA THR 14 6.699 -2.551 7.376 50 HB THR 14 HB THR 14 6.704 -0.022 5.826 51 HG1 THR 14 HG1 THR 14 8.902 0.022 7.255 52 1HG2 THR 14 1HG2 THR 14 5.529 0.143 7.948 53 2HG2 THR 14 2HG2 THR 14 7.062 1.013 8.121 54 3HG2 THR 14 3HG2 THR 14 6.877 -0.611 8.792 55 H VAL 15 H VAL 15 4.671 -2.474 8.044 56 HA VAL 15 HA VAL 15 2.546 -2.061 6.071 57 HB VAL 15 HB VAL 15 2.775 -4.041 8.325 58 1HG1 VAL 15 1HG1 VAL 15 0.321 -3.413 6.665 59 2HG1 VAL 15 2HG1 VAL 15 0.528 -3.046 8.385 60 3HG1 VAL 15 3HG1 VAL 15 0.496 -4.726 7.837 61 1HG2 VAL 15 1HG2 VAL 15 2.222 -5.633 6.505 62 2HG2 VAL 15 2HG2 VAL 15 3.758 -4.734 6.260 63 3HG2 VAL 15 3HG2 VAL 15 2.286 -4.256 5.400 64 H LEU 16 H LEU 16 0.990 -0.684 6.634 65 HA LEU 16 HA LEU 16 1.029 0.197 9.398 66 1HB LEU 16 1HB LEU 16 1.718 1.951 7.808 67 2HB LEU 16 2HB LEU 16 0.154 1.793 7.016 68 HG LEU 16 HG LEU 16 -0.878 2.263 9.260 69 1HD1 LEU 16 1HD1 LEU 16 1.910 3.176 9.861 70 2HD1 LEU 16 2HD1 LEU 16 1.050 1.844 10.625 71 3HD1 LEU 16 3HD1 LEU 16 0.484 3.497 10.843 72 1HD2 LEU 16 1HD2 LEU 16 -0.821 3.801 7.456 73 2HD2 LEU 16 2HD2 LEU 16 0.768 4.398 8.009 74 3HD2 LEU 16 3HD2 LEU 16 -0.685 4.564 9.051 75 H ILE 17 H ILE 17 -0.590 -0.663 10.357 76 HA ILE 17 HA ILE 17 -3.070 -1.223 8.865 77 HB ILE 17 HB ILE 17 -1.544 -2.804 10.587 78 1HG1 ILE 17 1HG1 ILE 17 -3.307 -3.558 9.006 79 2HG1 ILE 17 2HG1 ILE 17 -3.330 -4.402 10.548 80 1HG2 ILE 17 1HG2 ILE 17 -2.676 -3.102 12.670 81 2HG2 ILE 17 2HG2 ILE 17 -3.933 -1.979 12.166 82 3HG2 ILE 17 3HG2 ILE 17 -2.320 -1.366 12.488 83 1HD1 ILE 17 1HD1 ILE 17 -5.166 -2.176 9.722 84 2HD1 ILE 17 2HD1 ILE 17 -5.207 -3.022 11.270 85 3HD1 ILE 17 3HD1 ILE 17 -5.564 -3.893 9.773 86 H ARG 18 H ARG 18 -4.885 -0.161 9.354 87 HA ARG 18 HA ARG 18 -4.698 1.887 11.430 88 1HB ARG 18 1HB ARG 18 -6.213 1.774 8.840 89 2HB ARG 18 2HB ARG 18 -6.781 2.799 10.148 90 1HG ARG 18 1HG ARG 18 -5.477 4.066 8.547 91 2HG ARG 18 2HG ARG 18 -4.675 4.025 10.109 92 1HD ARG 18 1HD ARG 18 -3.053 3.743 8.341 93 2HD ARG 18 2HD ARG 18 -3.194 2.248 9.260 94 HE ARG 18 HE ARG 18 -4.321 1.250 7.456 95 1HH1 ARG 18 1HH1 ARG 18 -3.215 4.544 6.697 96 2HH1 ARG 18 2HH1 ARG 18 -3.212 4.286 5.017 97 1HH2 ARG 18 1HH2 ARG 18 -4.273 0.910 5.126 98 2HH2 ARG 18 2HH2 ARG 18 -3.859 2.189 4.106 99 H ARG 19 H ARG 19 -5.462 1.102 13.184 100 HA ARG 19 HA ARG 19 -7.843 -0.554 13.022 101 1HB ARG 19 1HB ARG 19 -5.949 -1.680 13.961 102 2HB ARG 19 2HB ARG 19 -5.733 -0.395 15.142 103 1HG ARG 19 1HG ARG 19 -7.719 -0.940 16.244 104 2HG ARG 19 2HG ARG 19 -8.220 -2.070 14.974 105 1HD ARG 19 1HD ARG 19 -6.163 -3.390 15.520 106 2HD ARG 19 2HD ARG 19 -5.927 -2.342 16.913 107 HE ARG 19 HE ARG 19 -8.528 -3.411 16.772 108 1HH1 ARG 19 1HH1 ARG 19 -5.304 -3.882 18.069 109 2HH1 ARG 19 2HH1 ARG 19 -5.727 -5.237 18.992 110 1HH2 ARG 19 1HH2 ARG 19 -9.102 -5.281 17.987 111 2HH2 ARG 19 2HH2 ARG 19 -7.943 -6.118 18.919 112 HA PRO 20 HA PRO 20 -9.819 3.163 14.760 113 1HB PRO 20 1HB PRO 20 -12.093 1.259 14.976 114 2HB PRO 20 2HB PRO 20 -12.049 2.880 14.272 115 1HG PRO 20 1HG PRO 20 -12.118 0.747 12.691 116 2HG PRO 20 2HG PRO 20 -11.082 2.131 12.291 117 1HD PRO 20 1HD PRO 20 -10.332 -0.513 13.485 118 2HD PRO 20 2HD PRO 20 -9.493 0.447 12.245 119 H ASP 21 H ASP 21 -10.310 -0.073 16.242 120 HA ASP 21 HA ASP 21 -9.693 0.810 18.894 121 1HB ASP 21 1HB ASP 21 -12.159 1.628 18.420 122 2HB ASP 21 2HB ASP 21 -12.531 -0.092 18.420 123 H LEU 22 H LEU 22 -10.593 -1.155 20.318 124 HA LEU 22 HA LEU 22 -9.414 -3.577 19.316 125 1HB LEU 22 1HB LEU 22 -10.945 -3.078 21.839 126 2HB LEU 22 2HB LEU 22 -9.888 -4.441 21.501 127 HG LEU 22 HG LEU 22 -9.084 -1.575 21.691 128 1HD1 LEU 22 1HD1 LEU 22 -8.548 -3.966 23.420 129 2HD1 LEU 22 2HD1 LEU 22 -9.619 -2.619 23.840 130 3HD1 LEU 22 3HD1 LEU 22 -7.862 -2.362 23.707 131 1HD2 LEU 22 1HD2 LEU 22 -7.752 -2.660 20.093 132 2HD2 LEU 22 2HD2 LEU 22 -7.437 -4.047 21.136 133 3HD2 LEU 22 3HD2 LEU 22 -6.746 -2.459 21.514 134 H ARG 23 H ARG 23 -12.390 -2.151 19.182 135 HA ARG 23 HA ARG 23 -14.214 -4.330 19.212 136 1HB ARG 23 1HB ARG 23 -14.475 -1.751 17.650 137 2HB ARG 23 2HB ARG 23 -15.777 -2.777 18.245 138 1HG ARG 23 1HG ARG 23 -15.221 -2.190 20.534 139 2HG ARG 23 2HG ARG 23 -13.865 -1.216 19.973 140 1HD ARG 23 1HD ARG 23 -15.531 0.143 18.665 141 2HD ARG 23 2HD ARG 23 -16.793 -0.740 19.529 142 HE ARG 23 HE ARG 23 -14.713 0.827 20.902 143 1HH1 ARG 23 1HH1 ARG 23 -18.155 0.042 20.431 144 2HH1 ARG 23 2HH1 ARG 23 -18.697 1.028 21.707 145 1HH2 ARG 23 1HH2 ARG 23 -15.504 2.165 22.715 146 2HH2 ARG 23 2HH2 ARG 23 -17.167 2.182 23.067 147 H TYR 24 H TYR 24 -11.837 -3.184 17.063 148 HA TYR 24 HA TYR 24 -12.771 -4.803 14.824 149 1HB TYR 24 1HB TYR 24 -11.013 -2.335 14.963 150 2HB TYR 24 2HB TYR 24 -11.082 -3.384 13.565 151 HD1 TYR 24 HD1 TYR 24 -12.532 -2.886 11.865 152 HD2 TYR 24 HD2 TYR 24 -13.313 -1.297 15.733 153 HE1 TYR 24 HE1 TYR 24 -14.356 -1.555 10.930 154 HE2 TYR 24 HE2 TYR 24 -15.147 0.035 14.825 155 HH TYR 24 HH TYR 24 -16.339 -0.490 11.621 156 H GLN 25 H GLN 25 -10.935 -5.975 13.912 157 HA GLN 25 HA GLN 25 -8.681 -6.058 15.741 158 1HB GLN 25 1HB GLN 25 -8.395 -8.484 15.115 159 2HB GLN 25 2HB GLN 25 -9.791 -8.118 16.111 160 1HG GLN 25 1HG GLN 25 -11.265 -8.393 14.336 161 2HG GLN 25 2HG GLN 25 -9.967 -8.377 13.140 162 1HE2 GLN 25 1HE2 GLN 25 -9.515 -10.069 16.117 163 2HE2 GLN 25 2HE2 GLN 25 -9.615 -11.663 15.476 164 H LEU 26 H LEU 26 -7.093 -7.703 14.190 165 HA LEU 26 HA LEU 26 -6.108 -5.675 12.412 166 1HB LEU 26 1HB LEU 26 -5.110 -8.515 12.677 167 2HB LEU 26 2HB LEU 26 -4.230 -7.118 12.124 168 HG LEU 26 HG LEU 26 -3.298 -7.616 14.187 169 1HD1 LEU 26 1HD1 LEU 26 -5.244 -5.426 14.749 170 2HD1 LEU 26 2HD1 LEU 26 -3.635 -5.284 14.040 171 3HD1 LEU 26 3HD1 LEU 26 -3.820 -5.808 15.716 172 1HD2 LEU 26 1HD2 LEU 26 -6.051 -7.949 15.451 173 2HD2 LEU 26 2HD2 LEU 26 -4.511 -8.083 16.284 174 3HD2 LEU 26 3HD2 LEU 26 -4.932 -9.234 15.026 175 H GLY 27 H GLY 27 -7.075 -9.087 11.987 176 1HA GLY 27 1HA GLY 27 -8.662 -9.639 10.251 177 2HA GLY 27 2HA GLY 27 -7.986 -8.332 9.288 178 H PHE 28 H PHE 28 -5.786 -10.255 11.058 179 HA PHE 28 HA PHE 28 -5.420 -12.094 8.881 180 1HB PHE 28 1HB PHE 28 -3.050 -11.672 8.555 181 2HB PHE 28 2HB PHE 28 -3.901 -10.172 8.303 182 HD1 PHE 28 HD1 PHE 28 -3.679 -8.341 9.950 183 HD2 PHE 28 HD2 PHE 28 -1.476 -11.952 10.345 184 HE1 PHE 28 HE1 PHE 28 -2.137 -7.231 11.509 185 HE2 PHE 28 HE2 PHE 28 0.052 -10.849 11.913 186 HZ PHE 28 HZ PHE 28 -0.281 -8.485 12.496 187 H SER 29 H SER 29 -4.319 -13.908 9.472 188 HA SER 29 HA SER 29 -4.329 -14.425 12.356 189 1HB SER 29 1HB SER 29 -5.697 -15.839 10.751 190 2HB SER 29 2HB SER 29 -4.174 -16.359 10.034 191 HG SER 29 HG SER 29 -5.346 -17.571 11.830 192 H VAL 30 H VAL 30 -2.352 -14.844 13.376 193 HA VAL 30 HA VAL 30 -0.047 -15.041 11.599 194 HB VAL 30 HB VAL 30 -0.582 -12.807 12.991 195 1HG1 VAL 30 1HG1 VAL 30 1.098 -14.326 14.919 196 2HG1 VAL 30 2HG1 VAL 30 -0.579 -13.823 15.180 197 3HG1 VAL 30 3HG1 VAL 30 0.706 -12.607 15.030 198 1HG2 VAL 30 1HG2 VAL 30 1.211 -12.980 11.447 199 2HG2 VAL 30 2HG2 VAL 30 2.159 -13.936 12.584 200 3HG2 VAL 30 3HG2 VAL 30 1.807 -12.237 12.931 201 H GLN 31 H GLN 31 1.428 -16.576 12.141 202 HA GLN 31 HA GLN 31 1.002 -17.980 14.661 203 1HB GLN 31 1HB GLN 31 1.957 -20.002 13.571 204 2HB GLN 31 2HB GLN 31 0.394 -19.521 12.918 205 1HG GLN 31 1HG GLN 31 1.558 -18.567 10.960 206 2HG GLN 31 2HG GLN 31 3.100 -19.045 11.659 207 1HE2 GLN 31 1HE2 GLN 31 3.619 -20.422 9.938 208 2HE2 GLN 31 2HE2 GLN 31 2.823 -21.935 9.741 209 H ASN 32 H ASN 32 2.430 -17.288 15.987 210 HA ASN 32 HA ASN 32 4.440 -16.816 17.008 211 1HB ASN 32 1HB ASN 32 4.903 -19.184 16.171 212 2HB ASN 32 2HB ASN 32 5.726 -18.458 14.799 213 1HD2 ASN 32 1HD2 ASN 32 7.663 -19.357 15.309 214 2HD2 ASN 32 2HD2 ASN 32 8.616 -18.893 16.695 215 H GLY 33 H GLY 33 3.434 -15.176 14.777 216 1HA GLY 33 1HA GLY 33 4.294 -12.958 14.376 217 2HA GLY 33 2HA GLY 33 5.910 -13.649 14.331 218 H ILE 34 H ILE 34 4.149 -15.809 12.656 219 HA ILE 34 HA ILE 34 4.739 -14.383 10.157 220 HB ILE 34 HB ILE 34 4.505 -17.410 10.469 221 1HG1 ILE 34 1HG1 ILE 34 6.932 -17.379 9.722 222 2HG1 ILE 34 2HG1 ILE 34 6.908 -15.645 10.001 223 1HG2 ILE 34 1HG2 ILE 34 5.184 -15.679 8.124 224 2HG2 ILE 34 2HG2 ILE 34 3.721 -16.648 8.305 225 3HG2 ILE 34 3HG2 ILE 34 5.300 -17.441 8.107 226 1HD1 ILE 34 1HD1 ILE 34 6.512 -17.780 12.080 227 2HD1 ILE 34 2HD1 ILE 34 6.495 -16.030 12.351 228 3HD1 ILE 34 3HD1 ILE 34 7.968 -16.818 11.784 229 H ILE 35 H ILE 35 3.183 -13.688 9.061 230 HA ILE 35 HA ILE 35 0.480 -14.047 9.640 231 HB ILE 35 HB ILE 35 1.806 -13.070 7.106 232 1HG1 ILE 35 1HG1 ILE 35 0.705 -11.445 9.391 233 2HG1 ILE 35 2HG1 ILE 35 2.365 -12.023 9.387 234 1HG2 ILE 35 1HG2 ILE 35 -1.006 -12.617 8.178 235 2HG2 ILE 35 2HG2 ILE 35 -0.595 -13.641 6.808 236 3HG2 ILE 35 3HG2 ILE 35 -0.330 -11.902 6.708 237 1HD1 ILE 35 1HD1 ILE 35 1.992 -9.687 8.609 238 2HD1 ILE 35 2HD1 ILE 35 1.220 -10.411 7.162 239 3HD1 ILE 35 3HD1 ILE 35 2.902 -10.744 7.535 240 H CYS 36 H CYS 36 -0.682 -15.777 9.319 241 HA CYS 36 HA CYS 36 0.141 -17.830 7.417 242 1HB CYS 36 1HB CYS 36 -0.121 -18.445 9.779 243 2HB CYS 36 2HB CYS 36 -1.798 -17.930 9.738 244 HG CYS 36 HG CYS 36 -0.902 -20.252 7.503 245 H SER 37 H SER 37 -2.510 -15.633 8.152 246 HA SER 37 HA SER 37 -3.735 -16.255 5.601 247 1HB SER 37 1HB SER 37 -5.357 -16.417 8.159 248 2HB SER 37 2HB SER 37 -5.924 -16.693 6.509 249 HG SER 37 HG SER 37 -3.967 -18.323 6.746 250 H LEU 38 H LEU 38 -5.219 -14.570 4.955 251 HA LEU 38 HA LEU 38 -5.257 -12.157 6.607 252 1HB LEU 38 1HB LEU 38 -3.456 -11.901 5.017 253 2HB LEU 38 2HB LEU 38 -4.488 -12.419 3.704 254 HG LEU 38 HG LEU 38 -5.828 -10.349 3.992 255 1HD1 LEU 38 1HD1 LEU 38 -4.948 -8.541 5.363 256 2HD1 LEU 38 2HD1 LEU 38 -3.672 -9.594 5.953 257 3HD1 LEU 38 3HD1 LEU 38 -5.357 -9.941 6.348 258 1HD2 LEU 38 1HD2 LEU 38 -4.014 -10.465 2.361 259 2HD2 LEU 38 2HD2 LEU 38 -2.890 -9.919 3.618 260 3HD2 LEU 38 3HD2 LEU 38 -4.170 -8.847 3.059 261 H MET 39 H MET 39 -7.198 -11.078 6.496 262 HA MET 39 HA MET 39 -9.326 -12.387 5.019 263 1HB MET 39 1HB MET 39 -9.725 -11.843 7.375 264 2HB MET 39 2HB MET 39 -9.419 -10.144 7.046 265 1HG MET 39 1HG MET 39 -11.357 -10.139 5.502 266 2HG MET 39 2HG MET 39 -11.695 -11.800 5.983 267 1HE MET 39 1HE MET 39 -10.989 -11.713 9.120 268 2HE MET 39 2HE MET 39 -12.402 -12.516 8.439 269 3HE MET 39 3HE MET 39 -12.594 -11.384 9.775 270 H ARG 40 H ARG 40 -9.892 -11.687 3.116 271 HA ARG 40 HA ARG 40 -8.845 -9.315 1.961 272 1HB ARG 40 1HB ARG 40 -9.329 -11.388 0.653 273 2HB ARG 40 2HB ARG 40 -11.041 -11.145 0.943 274 1HG ARG 40 1HG ARG 40 -9.470 -9.005 -0.439 275 2HG ARG 40 2HG ARG 40 -9.955 -10.435 -1.341 276 1HD ARG 40 1HD ARG 40 -12.275 -9.967 -0.946 277 2HD ARG 40 2HD ARG 40 -11.869 -8.693 0.201 278 HE ARG 40 HE ARG 40 -11.320 -7.284 -1.502 279 1HH1 ARG 40 1HH1 ARG 40 -11.985 -10.484 -2.964 280 2HH1 ARG 40 2HH1 ARG 40 -12.355 -9.843 -4.496 281 1HH2 ARG 40 1HH2 ARG 40 -11.898 -6.442 -3.656 282 2HH2 ARG 40 2HH2 ARG 40 -12.279 -7.533 -4.898 283 H GLY 41 H GLY 41 -9.684 -7.353 1.795 284 1HA GLY 41 1HA GLY 41 -11.329 -5.715 1.799 285 2HA GLY 41 2HA GLY 41 -12.479 -6.882 2.437 286 H GLY 42 H GLY 42 -9.940 -7.451 4.265 287 1HA GLY 42 1HA GLY 42 -11.027 -5.902 6.450 288 2HA GLY 42 2HA GLY 42 -9.816 -7.170 6.562 289 H ILE 43 H ILE 43 -9.614 -4.832 7.950 290 HA ILE 43 HA ILE 43 -8.150 -2.855 6.710 291 HB ILE 43 HB ILE 43 -7.223 -2.592 9.230 292 1HG1 ILE 43 1HG1 ILE 43 -9.932 -3.914 9.510 293 2HG1 ILE 43 2HG1 ILE 43 -8.399 -4.544 10.106 294 1HG2 ILE 43 1HG2 ILE 43 -9.830 -1.620 8.100 295 2HG2 ILE 43 2HG2 ILE 43 -8.227 -0.859 8.009 296 3HG2 ILE 43 3HG2 ILE 43 -9.050 -0.990 9.555 297 1HD1 ILE 43 1HD1 ILE 43 -9.782 -2.035 11.063 298 2HD1 ILE 43 2HD1 ILE 43 -8.234 -2.647 11.649 299 3HD1 ILE 43 3HD1 ILE 43 -9.697 -3.576 11.917 300 H ALA 44 H ALA 44 -6.986 -5.860 7.998 301 HA ALA 44 HA ALA 44 -4.268 -5.169 8.062 302 1HB ALA 44 1HB ALA 44 -5.519 -7.851 7.543 303 2HB ALA 44 2HB ALA 44 -5.171 -7.161 9.127 304 3HB ALA 44 3HB ALA 44 -3.848 -7.559 8.022 305 H GLU 45 H GLU 45 -6.293 -6.506 5.490 306 HA GLU 45 HA GLU 45 -4.260 -6.838 3.571 307 1HB GLU 45 1HB GLU 45 -6.507 -7.850 3.398 308 2HB GLU 45 2HB GLU 45 -7.208 -6.249 3.219 309 1HG GLU 45 1HG GLU 45 -5.952 -5.967 1.125 310 2HG GLU 45 2HG GLU 45 -5.341 -7.610 1.296 311 H ARG 46 H ARG 46 -6.425 -4.255 4.406 312 HA ARG 46 HA ARG 46 -5.518 -2.379 2.457 313 1HB ARG 46 1HB ARG 46 -7.039 -1.966 5.029 314 2HB ARG 46 2HB ARG 46 -6.787 -0.727 3.809 315 1HG ARG 46 1HG ARG 46 -8.018 -2.026 2.185 316 2HG ARG 46 2HG ARG 46 -8.203 -3.336 3.347 317 1HD ARG 46 1HD ARG 46 -9.548 -1.939 4.771 318 2HD ARG 46 2HD ARG 46 -9.278 -0.548 3.714 319 HE ARG 46 HE ARG 46 -10.338 -2.646 2.209 320 1HH1 ARG 46 1HH1 ARG 46 -11.403 -0.476 4.800 321 2HH1 ARG 46 2HH1 ARG 46 -12.996 -0.391 4.257 322 1HH2 ARG 46 1HH2 ARG 46 -12.462 -2.545 1.471 323 2HH2 ARG 46 2HH2 ARG 46 -13.641 -1.581 2.284 324 H GLY 47 H GLY 47 -4.117 -3.536 5.222 325 1HA GLY 47 1HA GLY 47 -2.636 -1.116 5.846 326 2HA GLY 47 2HA GLY 47 -2.550 -2.638 6.713 327 H GLY 48 H GLY 48 -2.347 -4.007 4.016 328 1HA GLY 48 1HA GLY 48 -0.650 -4.122 2.326 329 2HA GLY 48 2HA GLY 48 0.445 -3.296 3.429 330 H VAL 49 H VAL 49 -1.404 -5.558 5.050 331 HA VAL 49 HA VAL 49 0.784 -7.196 5.731 332 HB VAL 49 HB VAL 49 -2.186 -7.444 6.043 333 1HG1 VAL 49 1HG1 VAL 49 -0.099 -9.083 7.456 334 2HG1 VAL 49 2HG1 VAL 49 -1.092 -9.700 6.132 335 3HG1 VAL 49 3HG1 VAL 49 -1.839 -9.244 7.668 336 1HG2 VAL 49 1HG2 VAL 49 -1.275 -5.637 7.286 337 2HG2 VAL 49 2HG2 VAL 49 -0.065 -6.706 8.022 338 3HG2 VAL 49 3HG2 VAL 49 -1.768 -6.903 8.408 339 H ARG 50 H ARG 50 1.447 -9.124 4.839 340 HA ARG 50 HA ARG 50 -0.240 -10.470 2.840 341 1HB ARG 50 1HB ARG 50 2.707 -9.889 2.501 342 2HB ARG 50 2HB ARG 50 1.743 -10.943 1.478 343 1HG ARG 50 1HG ARG 50 1.398 -7.992 1.817 344 2HG ARG 50 2HG ARG 50 2.148 -8.809 0.433 345 1HD ARG 50 1HD ARG 50 -0.742 -8.963 1.317 346 2HD ARG 50 2HD ARG 50 -0.129 -8.122 -0.094 347 HE ARG 50 HE ARG 50 -0.144 -11.051 0.251 348 1HH1 ARG 50 1HH1 ARG 50 -0.022 -8.252 -1.941 349 2HH1 ARG 50 2HH1 ARG 50 -0.527 -9.114 -3.304 350 1HH2 ARG 50 1HH2 ARG 50 -0.934 -12.213 -1.608 351 2HH2 ARG 50 2HH2 ARG 50 -1.138 -11.388 -3.098 352 H VAL 51 H VAL 51 0.031 -12.475 2.655 353 HA VAL 51 HA VAL 51 0.655 -13.797 5.117 354 HB VAL 51 HB VAL 51 -0.465 -14.657 2.482 355 1HG1 VAL 51 1HG1 VAL 51 -0.254 -16.245 5.072 356 2HG1 VAL 51 2HG1 VAL 51 0.635 -16.604 3.586 357 3HG1 VAL 51 3HG1 VAL 51 -1.123 -16.781 3.636 358 1HG2 VAL 51 1HG2 VAL 51 -1.881 -13.216 3.742 359 2HG2 VAL 51 2HG2 VAL 51 -1.722 -14.269 5.155 360 3HG2 VAL 51 3HG2 VAL 51 -2.565 -14.847 3.716 361 H GLY 52 H GLY 52 2.243 -15.247 5.426 362 1HA GLY 52 1HA GLY 52 4.112 -16.592 4.814 363 2HA GLY 52 2HA GLY 52 4.157 -15.769 3.258 364 H HIS 53 H HIS 53 3.639 -13.451 5.379 365 HA HIS 53 HA HIS 53 6.451 -12.703 5.472 366 1HB HIS 53 1HB HIS 53 3.901 -11.171 5.675 367 2HB HIS 53 2HB HIS 53 5.360 -10.541 6.419 368 HD1 HIS 53 HD1 HIS 53 5.343 -8.509 4.760 369 HD2 HIS 53 HD2 HIS 53 5.758 -12.239 2.965 370 HE1 HIS 53 HE1 HIS 53 5.915 -8.046 2.382 371 HE2 HIS 53 HE2 HIS 53 6.595 -10.264 1.508 372 H ARG 54 H ARG 54 7.514 -12.370 7.283 373 HA ARG 54 HA ARG 54 6.144 -13.024 9.780 374 1HB ARG 54 1HB ARG 54 8.230 -14.352 9.425 375 2HB ARG 54 2HB ARG 54 9.114 -12.839 9.246 376 1HG ARG 54 1HG ARG 54 8.751 -12.202 11.456 377 2HG ARG 54 2HG ARG 54 7.572 -13.477 11.732 378 1HD ARG 54 1HD ARG 54 9.363 -15.141 11.582 379 2HD ARG 54 2HD ARG 54 10.536 -13.847 11.267 380 HE ARG 54 HE ARG 54 9.978 -12.932 13.398 381 1HH1 ARG 54 1HH1 ARG 54 9.413 -16.429 12.981 382 2HH1 ARG 54 2HH1 ARG 54 9.144 -16.703 14.643 383 1HH2 ARG 54 1HH2 ARG 54 9.664 -13.419 15.720 384 2HH2 ARG 54 2HH2 ARG 54 9.330 -15.019 16.181 385 H ILE 55 H ILE 55 5.816 -11.550 11.171 386 HA ILE 55 HA ILE 55 6.539 -8.820 10.568 387 HB ILE 55 HB ILE 55 5.132 -9.875 13.026 388 1HG1 ILE 55 1HG1 ILE 55 3.955 -8.894 10.415 389 2HG1 ILE 55 2HG1 ILE 55 3.902 -10.543 11.029 390 1HG2 ILE 55 1HG2 ILE 55 5.253 -7.134 11.763 391 2HG2 ILE 55 2HG2 ILE 55 6.022 -7.619 13.272 392 3HG2 ILE 55 3HG2 ILE 55 4.264 -7.561 13.155 393 1HD1 ILE 55 1HD1 ILE 55 2.746 -8.147 12.315 394 2HD1 ILE 55 2HD1 ILE 55 2.592 -9.828 12.881 395 3HD1 ILE 55 3HD1 ILE 55 1.832 -9.325 11.349 396 H ILE 56 H ILE 56 8.246 -7.846 11.332 397 HA ILE 56 HA ILE 56 9.703 -9.123 13.471 398 HB ILE 56 HB ILE 56 11.683 -8.020 12.748 399 1HG1 ILE 56 1HG1 ILE 56 10.044 -6.717 10.566 400 2HG1 ILE 56 2HG1 ILE 56 10.583 -5.898 12.033 401 1HG2 ILE 56 1HG2 ILE 56 10.179 -9.201 10.410 402 2HG2 ILE 56 2HG2 ILE 56 11.119 -10.094 11.602 403 3HG2 ILE 56 3HG2 ILE 56 11.927 -8.986 10.494 404 1HD1 ILE 56 1HD1 ILE 56 12.833 -6.345 11.466 405 2HD1 ILE 56 2HD1 ILE 56 12.031 -5.428 10.160 406 3HD1 ILE 56 3HD1 ILE 56 12.324 -7.189 10.007 407 H GLU 57 H GLU 57 7.659 -6.507 12.957 408 HA GLU 57 HA GLU 57 8.432 -5.340 15.500 409 1HB GLU 57 1HB GLU 57 10.011 -4.297 13.831 410 2HB GLU 57 2HB GLU 57 8.597 -3.666 12.998 411 1HG GLU 57 1HG GLU 57 7.987 -2.510 15.119 412 2HG GLU 57 2HG GLU 57 9.543 -3.005 15.760 413 H ILE 58 H ILE 58 6.813 -4.208 16.351 414 HA ILE 58 HA ILE 58 4.470 -3.571 14.712 415 HB ILE 58 HB ILE 58 4.458 -5.067 17.332 416 1HG1 ILE 58 1HG1 ILE 58 3.209 -5.961 14.743 417 2HG1 ILE 58 2HG1 ILE 58 4.882 -6.330 15.149 418 1HG2 ILE 58 1HG2 ILE 58 2.129 -4.033 15.660 419 2HG2 ILE 58 2HG2 ILE 58 2.638 -3.341 17.177 420 3HG2 ILE 58 3HG2 ILE 58 1.957 -4.978 17.142 421 1HD1 ILE 58 1HD1 ILE 58 2.474 -7.127 16.768 422 2HD1 ILE 58 2HD1 ILE 58 4.181 -7.466 17.120 423 3HD1 ILE 58 3HD1 ILE 58 3.433 -8.168 15.692 424 H ASN 59 H ASN 59 4.176 -1.464 15.053 425 HA ASN 59 HA ASN 59 3.640 0.478 16.081 426 1HB ASN 59 1HB ASN 59 2.409 -1.104 17.676 427 2HB ASN 59 2HB ASN 59 3.791 -0.963 18.748 428 1HD2 ASN 59 1HD2 ASN 59 0.989 0.546 17.488 429 2HD2 ASN 59 2HD2 ASN 59 0.958 1.926 18.527 430 H GLY 60 H GLY 60 6.499 -0.804 16.074 431 1HA GLY 60 1HA GLY 60 8.445 0.616 16.162 432 2HA GLY 60 2HA GLY 60 7.730 1.417 17.556 433 H GLN 61 H GLN 61 7.139 -1.804 17.933 434 HA GLN 61 HA GLN 61 9.672 -2.175 19.349 435 1HB GLN 61 1HB GLN 61 8.563 -3.540 21.012 436 2HB GLN 61 2HB GLN 61 7.789 -1.969 20.955 437 1HG GLN 61 1HG GLN 61 5.956 -2.957 19.648 438 2HG GLN 61 2HG GLN 61 6.750 -4.527 19.766 439 1HE2 GLN 61 1HE2 GLN 61 6.836 -5.571 21.779 440 2HE2 GLN 61 2HE2 GLN 61 5.787 -5.112 23.068 441 H SER 62 H SER 62 10.915 -3.617 18.724 442 HA SER 62 HA SER 62 10.336 -5.347 16.600 443 1HB SER 62 1HB SER 62 12.633 -4.684 17.110 444 2HB SER 62 2HB SER 62 12.537 -5.455 18.689 445 HG SER 62 HG SER 62 13.601 -6.781 17.201 446 H VAL 63 H VAL 63 9.041 -7.098 16.652 447 HA VAL 63 HA VAL 63 8.747 -8.503 19.186 448 HB VAL 63 HB VAL 63 6.548 -9.126 18.362 449 1HG1 VAL 63 1HG1 VAL 63 6.784 -7.035 19.603 450 2HG1 VAL 63 2HG1 VAL 63 5.498 -6.863 18.416 451 3HG1 VAL 63 3HG1 VAL 63 7.086 -6.147 18.123 452 1HG2 VAL 63 1HG2 VAL 63 7.123 -9.218 15.977 453 2HG2 VAL 63 2HG2 VAL 63 7.221 -7.449 15.941 454 3HG2 VAL 63 3HG2 VAL 63 5.681 -8.239 16.247 455 H VAL 64 H VAL 64 10.645 -8.616 16.788 456 HA VAL 64 HA VAL 64 10.024 -11.025 15.446 457 HB VAL 64 HB VAL 64 11.463 -9.112 14.616 458 1HG1 VAL 64 1HG1 VAL 64 13.565 -10.505 16.198 459 2HG1 VAL 64 2HG1 VAL 64 12.959 -8.857 16.408 460 3HG1 VAL 64 3HG1 VAL 64 13.867 -9.288 14.949 461 1HG2 VAL 64 1HG2 VAL 64 11.114 -11.065 13.377 462 2HG2 VAL 64 2HG2 VAL 64 12.394 -11.946 14.240 463 3HG2 VAL 64 3HG2 VAL 64 12.791 -10.567 13.188 464 H ALA 65 H ALA 65 11.501 -10.393 18.455 465 HA ALA 65 HA ALA 65 12.346 -13.200 18.588 466 1HB ALA 65 1HB ALA 65 13.888 -12.476 20.356 467 2HB ALA 65 2HB ALA 65 13.301 -10.817 20.166 468 3HB ALA 65 3HB ALA 65 14.163 -11.605 18.841 469 H THR 66 H THR 66 9.746 -11.497 19.147 470 HA THR 66 HA THR 66 9.270 -12.019 21.893 471 HB THR 66 HB THR 66 7.770 -10.713 19.599 472 HG1 THR 66 HG1 THR 66 9.732 -9.781 20.711 473 1HG2 THR 66 1HG2 THR 66 7.037 -10.712 22.523 474 2HG2 THR 66 2HG2 THR 66 6.194 -11.627 21.268 475 3HG2 THR 66 3HG2 THR 66 6.208 -9.862 21.214 476 HA PRO 67 HA PRO 67 7.480 -16.000 20.905 477 1HB PRO 67 1HB PRO 67 5.903 -16.310 23.132 478 2HB PRO 67 2HB PRO 67 7.643 -16.610 23.105 479 1HG PRO 67 1HG PRO 67 6.143 -14.226 24.083 480 2HG PRO 67 2HG PRO 67 7.578 -15.005 24.766 481 1HD PRO 67 1HD PRO 67 7.694 -12.719 23.310 482 2HD PRO 67 2HD PRO 67 9.004 -13.912 23.336 483 H HIS 68 H HIS 68 5.500 -17.007 20.449 484 HA HIS 68 HA HIS 68 3.890 -15.607 18.725 485 1HB HIS 68 1HB HIS 68 2.413 -17.590 18.610 486 2HB HIS 68 2HB HIS 68 4.107 -18.029 18.562 487 HD1 HIS 68 HD1 HIS 68 5.028 -19.412 20.540 488 HD2 HIS 68 HD2 HIS 68 0.982 -18.547 20.840 489 HE1 HIS 68 HE1 HIS 68 4.164 -20.860 22.405 490 HE2 HIS 68 HE2 HIS 68 1.828 -19.980 22.780 491 H GLU 69 H GLU 69 2.998 -16.420 22.074 492 HA GLU 69 HA GLU 69 0.363 -15.442 21.728 493 1HB GLU 69 1HB GLU 69 1.014 -17.141 23.388 494 2HB GLU 69 2HB GLU 69 1.894 -15.886 24.263 495 1HG GLU 69 1HG GLU 69 -0.179 -14.707 24.701 496 2HG GLU 69 2HG GLU 69 -1.077 -15.898 23.756 497 H LYS 70 H LYS 70 3.374 -14.096 22.962 498 HA LYS 70 HA LYS 70 2.311 -11.705 23.927 499 1HB LYS 70 1HB LYS 70 4.962 -12.681 23.248 500 2HB LYS 70 2HB LYS 70 4.770 -11.003 22.880 501 1HG LYS 70 1HG LYS 70 3.792 -10.835 25.283 502 2HG LYS 70 2HG LYS 70 4.679 -12.351 25.524 503 1HD LYS 70 1HD LYS 70 6.698 -11.303 24.650 504 2HD LYS 70 2HD LYS 70 5.810 -9.799 24.426 505 1HE LYS 70 1HE LYS 70 6.488 -11.171 27.012 506 2HE LYS 70 2HE LYS 70 7.102 -9.648 26.331 507 1HZ LYS 70 1HZ LYS 70 4.325 -10.085 27.338 508 2HZ LYS 70 2HZ LYS 70 4.871 -8.682 26.598 509 3HZ LYS 70 3HZ LYS 70 5.549 -9.183 28.034 510 H ILE 71 H ILE 71 3.676 -12.541 20.785 511 HA ILE 71 HA ILE 71 3.405 -10.071 19.552 512 HB ILE 71 HB ILE 71 3.158 -12.826 18.305 513 1HG1 ILE 71 1HG1 ILE 71 5.514 -10.964 18.620 514 2HG1 ILE 71 2HG1 ILE 71 5.260 -12.489 19.453 515 1HG2 ILE 71 1HG2 ILE 71 3.748 -10.163 17.000 516 2HG2 ILE 71 2HG2 ILE 71 2.245 -11.081 16.810 517 3HG2 ILE 71 3HG2 ILE 71 3.772 -11.727 16.184 518 1HD1 ILE 71 1HD1 ILE 71 5.460 -13.688 17.346 519 2HD1 ILE 71 2HD1 ILE 71 6.887 -12.690 17.669 520 3HD1 ILE 71 3HD1 ILE 71 5.681 -12.150 16.500 521 H VAL 72 H VAL 72 1.068 -12.695 19.873 522 HA VAL 72 HA VAL 72 -0.958 -11.370 18.384 523 HB VAL 72 HB VAL 72 -1.192 -13.620 20.418 524 1HG1 VAL 72 1HG1 VAL 72 -3.246 -12.639 18.426 525 2HG1 VAL 72 2HG1 VAL 72 -3.339 -12.474 20.180 526 3HG1 VAL 72 3HG1 VAL 72 -3.395 -14.074 19.443 527 1HG2 VAL 72 1HG2 VAL 72 -1.386 -15.058 18.441 528 2HG2 VAL 72 2HG2 VAL 72 0.149 -14.180 18.477 529 3HG2 VAL 72 3HG2 VAL 72 -1.151 -13.641 17.412 530 H HIS 73 H HIS 73 -0.003 -11.344 21.757 531 HA HIS 73 HA HIS 73 -2.388 -10.160 22.793 532 1HB HIS 73 1HB HIS 73 -0.765 -11.413 24.221 533 2HB HIS 73 2HB HIS 73 0.417 -10.140 23.956 534 HD1 HIS 73 HD1 HIS 73 -0.046 -7.798 25.218 535 HD2 HIS 73 HD2 HIS 73 -2.727 -10.870 26.116 536 HE1 HIS 73 HE1 HIS 73 -1.286 -7.046 27.197 537 HE2 HIS 73 HE2 HIS 73 -3.094 -8.713 27.517 538 H ILE 74 H ILE 74 0.736 -8.976 21.771 539 HA ILE 74 HA ILE 74 0.399 -6.312 22.411 540 HB ILE 74 HB ILE 74 2.156 -7.733 20.413 541 1HG1 ILE 74 1HG1 ILE 74 2.988 -6.420 22.976 542 2HG1 ILE 74 2HG1 ILE 74 2.205 -7.991 23.016 543 1HG2 ILE 74 1HG2 ILE 74 2.299 -4.867 21.358 544 2HG2 ILE 74 2HG2 ILE 74 1.779 -5.386 19.758 545 3HG2 ILE 74 3HG2 ILE 74 3.455 -5.668 20.278 546 1HD1 ILE 74 1HD1 ILE 74 4.712 -7.324 21.520 547 2HD1 ILE 74 2HD1 ILE 74 3.843 -8.880 21.612 548 3HD1 ILE 74 3HD1 ILE 74 4.598 -8.214 23.068 549 H LEU 75 H LEU 75 -0.092 -8.109 19.371 550 HA LEU 75 HA LEU 75 -1.081 -5.954 17.857 551 1HB LEU 75 1HB LEU 75 -1.573 -8.905 17.647 552 2HB LEU 75 2HB LEU 75 -2.278 -7.765 16.521 553 HG LEU 75 HG LEU 75 0.675 -8.134 16.968 554 1HD1 LEU 75 1HD1 LEU 75 -1.106 -9.089 14.730 555 2HD1 LEU 75 2HD1 LEU 75 -0.345 -10.105 15.956 556 3HD1 LEU 75 3HD1 LEU 75 0.649 -9.240 14.789 557 1HD2 LEU 75 1HD2 LEU 75 0.065 -5.867 16.210 558 2HD2 LEU 75 2HD2 LEU 75 -0.873 -6.564 14.899 559 3HD2 LEU 75 3HD2 LEU 75 0.875 -6.761 14.926 560 H SER 76 H SER 76 -2.779 -8.320 19.809 561 HA SER 76 HA SER 76 -5.362 -7.464 19.244 562 1HB SER 76 1HB SER 76 -4.791 -9.657 20.265 563 2HB SER 76 2HB SER 76 -4.380 -8.825 21.765 564 HG SER 76 HG SER 76 -6.404 -8.769 22.252 565 H ASN 77 H ASN 77 -2.992 -6.106 21.414 566 HA ASN 77 HA ASN 77 -5.111 -4.461 22.591 567 1HB ASN 77 1HB ASN 77 -2.385 -5.170 23.649 568 2HB ASN 77 2HB ASN 77 -3.324 -3.835 24.316 569 1HD2 ASN 77 1HD2 ASN 77 -3.158 -7.277 23.896 570 2HD2 ASN 77 2HD2 ASN 77 -4.349 -7.687 25.077 571 H ALA 78 H ALA 78 -3.029 -4.160 20.089 572 HA ALA 78 HA ALA 78 -2.664 -1.316 20.645 573 1HB ALA 78 1HB ALA 78 -0.954 -1.310 18.865 574 2HB ALA 78 2HB ALA 78 -1.274 -3.007 18.534 575 3HB ALA 78 3HB ALA 78 -0.580 -2.528 20.079 576 H VAL 79 H VAL 79 -3.625 0.236 19.444 577 HA VAL 79 HA VAL 79 -5.051 -0.619 17.033 578 HB VAL 79 HB VAL 79 -7.093 0.366 17.618 579 1HG1 VAL 79 1HG1 VAL 79 -6.835 -1.436 18.889 580 2HG1 VAL 79 2HG1 VAL 79 -7.774 -0.203 19.739 581 3HG1 VAL 79 3HG1 VAL 79 -6.092 -0.515 20.190 582 1HG2 VAL 79 1HG2 VAL 79 -6.250 2.572 18.091 583 2HG2 VAL 79 2HG2 VAL 79 -5.818 2.063 19.749 584 3HG2 VAL 79 3HG2 VAL 79 -7.517 2.044 19.191 585 H GLY 80 H GLY 80 -5.894 1.701 15.988 586 1HA GLY 80 1HA GLY 80 -5.372 3.802 15.268 587 2HA GLY 80 2HA GLY 80 -3.927 3.788 16.274 588 H GLU 81 H GLU 81 -2.889 4.681 14.457 589 HA GLU 81 HA GLU 81 -2.391 2.976 12.199 590 1HB GLU 81 1HB GLU 81 -1.169 5.573 13.128 591 2HB GLU 81 2HB GLU 81 -0.640 4.763 11.671 592 1HG GLU 81 1HG GLU 81 -2.867 4.957 10.747 593 2HG GLU 81 2HG GLU 81 -3.414 5.780 12.212 594 H ILE 82 H ILE 82 -1.154 1.328 12.327 595 HA ILE 82 HA ILE 82 0.922 1.206 14.458 596 HB ILE 82 HB ILE 82 -0.685 -1.091 13.300 597 1HG1 ILE 82 1HG1 ILE 82 -0.950 0.101 16.070 598 2HG1 ILE 82 2HG1 ILE 82 -1.988 0.575 14.732 599 1HG2 ILE 82 1HG2 ILE 82 1.223 -0.996 15.626 600 2HG2 ILE 82 2HG2 ILE 82 1.517 -1.738 14.054 601 3HG2 ILE 82 3HG2 ILE 82 0.281 -2.402 15.121 602 1HD1 ILE 82 1HD1 ILE 82 -2.846 -1.682 14.571 603 2HD1 ILE 82 2HD1 ILE 82 -3.056 -1.052 16.190 604 3HD1 ILE 82 3HD1 ILE 82 -1.761 -2.213 15.859 605 H HIS 83 H HIS 83 2.877 1.217 13.596 606 HA HIS 83 HA HIS 83 3.265 0.367 10.840 607 1HB HIS 83 1HB HIS 83 5.121 1.673 12.854 608 2HB HIS 83 2HB HIS 83 5.625 1.153 11.256 609 HD1 HIS 83 HD1 HIS 83 3.649 3.870 13.025 610 HD2 HIS 83 HD2 HIS 83 4.903 2.856 9.178 611 HE1 HIS 83 HE1 HIS 83 3.249 5.877 11.640 612 HE2 HIS 83 HE2 HIS 83 3.713 5.156 9.300 613 H MET 84 H MET 84 3.708 -1.628 10.497 614 HA MET 84 HA MET 84 5.233 -3.136 12.521 615 1HB MET 84 1HB MET 84 3.461 -4.215 10.360 616 2HB MET 84 2HB MET 84 4.276 -5.147 11.600 617 1HG MET 84 1HG MET 84 2.844 -4.026 13.278 618 2HG MET 84 2HG MET 84 1.963 -3.262 11.945 619 1HE MET 84 1HE MET 84 2.656 -6.007 10.026 620 2HE MET 84 2HE MET 84 1.292 -4.940 9.788 621 3HE MET 84 3HE MET 84 1.030 -6.689 10.000 622 H LYS 85 H LYS 85 6.757 -4.670 11.516 623 HA LYS 85 HA LYS 85 7.445 -3.885 8.782 624 1HB LYS 85 1HB LYS 85 9.392 -4.410 11.045 625 2HB LYS 85 2HB LYS 85 9.830 -4.144 9.361 626 1HG LYS 85 1HG LYS 85 8.215 -1.972 10.071 627 2HG LYS 85 2HG LYS 85 9.325 -2.209 11.420 628 1HD LYS 85 1HD LYS 85 10.212 -2.231 8.592 629 2HD LYS 85 2HD LYS 85 10.062 -0.716 9.478 630 1HE LYS 85 1HE LYS 85 11.762 -3.051 10.410 631 2HE LYS 85 2HE LYS 85 12.399 -1.699 9.478 632 1HZ LYS 85 1HZ LYS 85 11.252 -1.535 12.261 633 2HZ LYS 85 2HZ LYS 85 11.567 -0.228 11.271 634 3HZ LYS 85 3HZ LYS 85 12.830 -1.205 11.745 635 H THR 86 H THR 86 7.410 -5.457 7.520 636 HA THR 86 HA THR 86 7.511 -8.132 8.733 637 HB THR 86 HB THR 86 5.841 -8.938 7.172 638 HG1 THR 86 HG1 THR 86 5.924 -6.277 6.142 639 1HG2 THR 86 1HG2 THR 86 4.852 -6.360 8.390 640 2HG2 THR 86 2HG2 THR 86 5.105 -7.848 9.272 641 3HG2 THR 86 3HG2 THR 86 3.870 -7.778 8.002 642 H MET 87 H MET 87 8.431 -9.839 7.485 643 HA MET 87 HA MET 87 10.034 -8.985 5.153 644 1HB MET 87 1HB MET 87 10.880 -10.894 7.359 645 2HB MET 87 2HB MET 87 11.866 -10.392 6.006 646 1HG MET 87 1HG MET 87 11.805 -8.091 6.900 647 2HG MET 87 2HG MET 87 10.949 -8.725 8.314 648 1HE MET 87 1HE MET 87 14.308 -8.432 6.398 649 2HE MET 87 2HE MET 87 13.979 -10.151 6.170 650 3HE MET 87 3HE MET 87 15.325 -9.636 7.186 651 HA PRO 88 HA PRO 88 8.319 -12.863 3.495 652 1HB PRO 88 1HB PRO 88 10.419 -14.034 2.220 653 2HB PRO 88 2HB PRO 88 9.613 -12.592 1.590 654 1HG PRO 88 1HG PRO 88 12.126 -12.785 3.223 655 2HG PRO 88 2HG PRO 88 11.846 -11.867 1.730 656 1HD PRO 88 1HD PRO 88 11.776 -10.669 4.096 657 2HD PRO 88 2HD PRO 88 10.622 -10.229 2.825 658 H ALA 89 H ALA 89 9.539 -12.857 6.181 659 HA ALA 89 HA ALA 89 9.834 -14.206 8.006 660 1HB ALA 89 1HB ALA 89 9.117 -16.506 7.930 661 2HB ALA 89 2HB ALA 89 9.133 -16.477 6.155 662 3HB ALA 89 3HB ALA 89 8.000 -15.450 7.057 663 H ALA 90 H ALA 90 11.822 -14.172 5.486 664 HA ALA 90 HA ALA 90 14.001 -15.189 7.060 665 1HB ALA 90 1HB ALA 90 14.865 -16.504 5.150 666 2HB ALA 90 2HB ALA 90 13.367 -16.178 4.275 667 3HB ALA 90 3HB ALA 90 13.330 -17.147 5.749 Start of MODEL 7 1 H GLU 7 1H GLU 7 17.227 -3.715 14.819 2 HA GLU 7 HA GLU 7 15.500 -3.032 13.550 3 1HB GLU 7 1HB GLU 7 15.686 -1.491 11.667 4 2HB GLU 7 2HB GLU 7 16.190 -0.686 13.136 5 1HG GLU 7 1HG GLU 7 18.039 -1.790 11.023 6 2HG GLU 7 2HG GLU 7 17.563 -0.104 11.173 7 H THR 8 H THR 8 14.946 -4.099 11.664 8 HA THR 8 HA THR 8 16.925 -6.025 10.850 9 HB THR 8 HB THR 8 13.995 -5.755 10.137 10 HG1 THR 8 HG1 THR 8 15.329 -7.464 11.981 11 1HG2 THR 8 1HG2 THR 8 15.921 -8.065 9.816 12 2HG2 THR 8 2HG2 THR 8 15.286 -7.073 8.503 13 3HG2 THR 8 3HG2 THR 8 14.199 -8.106 9.433 14 H MET 9 H MET 9 18.022 -5.844 9.038 15 HA MET 9 HA MET 9 17.148 -3.890 7.019 16 1HB MET 9 1HB MET 9 19.968 -4.711 7.757 17 2HB MET 9 2HB MET 9 19.552 -3.666 6.413 18 1HG MET 9 1HG MET 9 18.645 -2.020 7.985 19 2HG MET 9 2HG MET 9 19.098 -3.068 9.327 20 1HE MET 9 1HE MET 9 20.456 -1.039 10.425 21 2HE MET 9 2HE MET 9 20.003 -0.006 9.074 22 3HE MET 9 3HE MET 9 21.694 -0.123 9.567 23 H GLY 10 H GLY 10 16.685 -4.748 5.129 24 1HA GLY 10 1HA GLY 10 18.044 -6.508 3.620 25 2HA GLY 10 2HA GLY 10 17.096 -7.553 4.679 26 H ASN 11 H ASN 11 15.200 -8.112 3.937 27 HA ASN 11 HA ASN 11 13.918 -6.345 1.974 28 1HB ASN 11 1HB ASN 11 14.575 -8.702 1.239 29 2HB ASN 11 2HB ASN 11 13.394 -9.305 2.392 30 1HD2 ASN 11 1HD2 ASN 11 13.544 -9.603 -0.487 31 2HD2 ASN 11 2HD2 ASN 11 12.092 -8.953 -1.154 32 H VAL 12 H VAL 12 12.459 -5.148 2.983 33 HA VAL 12 HA VAL 12 10.775 -6.341 5.001 34 HB VAL 12 HB VAL 12 12.411 -3.793 5.355 35 1HG1 VAL 12 1HG1 VAL 12 10.030 -4.662 7.001 36 2HG1 VAL 12 2HG1 VAL 12 10.090 -3.255 5.938 37 3HG1 VAL 12 3HG1 VAL 12 11.113 -3.322 7.379 38 1HG2 VAL 12 1HG2 VAL 12 13.397 -5.912 6.175 39 2HG2 VAL 12 2HG2 VAL 12 11.946 -6.119 7.188 40 3HG2 VAL 12 3HG2 VAL 12 13.021 -4.770 7.477 41 H THR 13 H THR 13 8.837 -5.768 4.836 42 HA THR 13 HA THR 13 7.979 -3.603 3.079 43 HB THR 13 HB THR 13 6.990 -6.375 3.609 44 HG1 THR 13 HG1 THR 13 8.057 -5.083 1.388 45 1HG2 THR 13 1HG2 THR 13 5.036 -5.872 2.159 46 2HG2 THR 13 2HG2 THR 13 5.578 -4.191 2.070 47 3HG2 THR 13 3HG2 THR 13 5.084 -4.878 3.621 48 H THR 14 H THR 14 7.017 -2.144 4.204 49 HA THR 14 HA THR 14 6.437 -2.680 6.971 50 HB THR 14 HB THR 14 6.374 -0.145 5.420 51 HG1 THR 14 HG1 THR 14 8.468 -0.009 5.743 52 1HG2 THR 14 1HG2 THR 14 6.472 -0.681 8.408 53 2HG2 THR 14 2HG2 THR 14 5.148 0.063 7.522 54 3HG2 THR 14 3HG2 THR 14 6.680 0.923 7.700 55 H VAL 15 H VAL 15 4.518 -2.455 7.824 56 HA VAL 15 HA VAL 15 2.196 -2.229 6.078 57 HB VAL 15 HB VAL 15 2.801 -3.906 8.468 58 1HG1 VAL 15 1HG1 VAL 15 0.113 -3.442 7.146 59 2HG1 VAL 15 2HG1 VAL 15 0.610 -3.005 8.800 60 3HG1 VAL 15 3HG1 VAL 15 0.473 -4.705 8.339 61 1HG2 VAL 15 1HG2 VAL 15 3.521 -4.792 6.367 62 2HG2 VAL 15 2HG2 VAL 15 1.913 -4.482 5.701 63 3HG2 VAL 15 3HG2 VAL 15 2.111 -5.736 6.929 64 H LEU 16 H LEU 16 0.791 -0.742 6.707 65 HA LEU 16 HA LEU 16 1.137 0.175 9.403 66 1HB LEU 16 1HB LEU 16 1.729 1.939 7.821 67 2HB LEU 16 2HB LEU 16 0.133 1.807 7.092 68 HG LEU 16 HG LEU 16 -0.794 2.296 9.398 69 1HD1 LEU 16 1HD1 LEU 16 2.006 3.255 9.842 70 2HD1 LEU 16 2HD1 LEU 16 1.209 1.916 10.666 71 3HD1 LEU 16 3HD1 LEU 16 0.622 3.564 10.891 72 1HD2 LEU 16 1HD2 LEU 16 -0.864 3.787 7.577 73 2HD2 LEU 16 2HD2 LEU 16 0.768 4.382 7.988 74 3HD2 LEU 16 3HD2 LEU 16 -0.598 4.609 9.130 75 H ILE 17 H ILE 17 -0.339 -0.593 10.507 76 HA ILE 17 HA ILE 17 -3.008 -1.084 9.400 77 HB ILE 17 HB ILE 17 -1.288 -2.399 11.409 78 1HG1 ILE 17 1HG1 ILE 17 -2.304 -3.470 9.415 79 2HG1 ILE 17 2HG1 ILE 17 -2.653 -4.317 10.923 80 1HG2 ILE 17 1HG2 ILE 17 -2.758 -1.218 12.972 81 2HG2 ILE 17 2HG2 ILE 17 -2.999 -2.978 13.037 82 3HG2 ILE 17 3HG2 ILE 17 -4.156 -1.949 12.177 83 1HD1 ILE 17 1HD1 ILE 17 -4.515 -2.480 9.425 84 2HD1 ILE 17 2HD1 ILE 17 -4.827 -3.152 11.007 85 3HD1 ILE 17 3HD1 ILE 17 -4.674 -4.230 9.622 86 H ARG 18 H ARG 18 -4.470 0.306 9.785 87 HA ARG 18 HA ARG 18 -4.093 1.939 12.133 88 1HB ARG 18 1HB ARG 18 -5.434 2.664 9.533 89 2HB ARG 18 2HB ARG 18 -5.613 3.614 11.010 90 1HG ARG 18 1HG ARG 18 -3.210 3.940 11.112 91 2HG ARG 18 2HG ARG 18 -3.010 2.996 9.637 92 1HD ARG 18 1HD ARG 18 -2.919 5.348 9.187 93 2HD ARG 18 2HD ARG 18 -4.352 4.609 8.444 94 HE ARG 18 HE ARG 18 -4.900 5.722 11.018 95 1HH1 ARG 18 1HH1 ARG 18 -4.428 6.633 7.631 96 2HH1 ARG 18 2HH1 ARG 18 -5.461 7.977 7.699 97 1HH2 ARG 18 1HH2 ARG 18 -6.249 7.524 11.147 98 2HH2 ARG 18 2HH2 ARG 18 -6.576 8.508 9.781 99 H ARG 19 H ARG 19 -5.040 1.155 13.515 100 HA ARG 19 HA ARG 19 -7.474 -0.375 13.111 101 1HB ARG 19 1HB ARG 19 -5.713 -1.554 14.172 102 2HB ARG 19 2HB ARG 19 -5.498 -0.282 15.358 103 1HG ARG 19 1HG ARG 19 -7.561 -0.773 16.372 104 2HG ARG 19 2HG ARG 19 -7.994 -1.934 15.104 105 1HD ARG 19 1HD ARG 19 -5.976 -3.256 15.788 106 2HD ARG 19 2HD ARG 19 -5.785 -2.126 17.136 107 HE ARG 19 HE ARG 19 -8.277 -2.836 17.425 108 1HH1 ARG 19 1HH1 ARG 19 -5.386 -4.745 17.062 109 2HH1 ARG 19 2HH1 ARG 19 -6.026 -6.192 17.679 110 1HH2 ARG 19 1HH2 ARG 19 -9.221 -4.867 18.339 111 2HH2 ARG 19 2HH2 ARG 19 -8.275 -6.232 18.490 112 HA PRO 20 HA PRO 20 -9.671 3.258 14.676 113 1HB PRO 20 1HB PRO 20 -11.885 1.269 14.606 114 2HB PRO 20 2HB PRO 20 -11.840 2.915 13.962 115 1HG PRO 20 1HG PRO 20 -11.653 0.866 12.309 116 2HG PRO 20 2HG PRO 20 -10.605 2.278 12.082 117 1HD PRO 20 1HD PRO 20 -9.949 -0.390 13.280 118 2HD PRO 20 2HD PRO 20 -8.993 0.626 12.169 119 H ASP 21 H ASP 21 -10.067 -0.012 16.097 120 HA ASP 21 HA ASP 21 -9.797 0.996 18.754 121 1HB ASP 21 1HB ASP 21 -12.228 1.612 18.107 122 2HB ASP 21 2HB ASP 21 -12.511 -0.134 18.105 123 H LEU 22 H LEU 22 -10.725 -0.968 20.261 124 HA LEU 22 HA LEU 22 -9.009 -3.176 19.661 125 1HB LEU 22 1HB LEU 22 -10.954 -2.777 21.893 126 2HB LEU 22 2HB LEU 22 -9.665 -3.965 21.823 127 HG LEU 22 HG LEU 22 -9.394 -0.996 21.935 128 1HD1 LEU 22 1HD1 LEU 22 -8.620 -3.220 23.797 129 2HD1 LEU 22 2HD1 LEU 22 -9.956 -2.083 24.049 130 3HD1 LEU 22 3HD1 LEU 22 -8.277 -1.512 24.099 131 1HD2 LEU 22 1HD2 LEU 22 -7.710 -1.802 20.504 132 2HD2 LEU 22 2HD2 LEU 22 -7.299 -3.134 21.569 133 3HD2 LEU 22 3HD2 LEU 22 -6.911 -1.469 22.034 134 H ARG 23 H ARG 23 -12.268 -2.401 19.262 135 HA ARG 23 HA ARG 23 -13.111 -5.138 19.039 136 1HB ARG 23 1HB ARG 23 -14.617 -2.569 18.469 137 2HB ARG 23 2HB ARG 23 -15.317 -4.167 18.236 138 1HG ARG 23 1HG ARG 23 -16.077 -3.394 20.349 139 2HG ARG 23 2HG ARG 23 -14.840 -4.611 20.672 140 1HD ARG 23 1HD ARG 23 -13.213 -2.658 20.833 141 2HD ARG 23 2HD ARG 23 -14.630 -1.623 20.891 142 HE ARG 23 HE ARG 23 -14.973 -3.531 22.845 143 1HH1 ARG 23 1HH1 ARG 23 -12.672 -0.917 22.105 144 2HH1 ARG 23 2HH1 ARG 23 -12.178 -0.695 23.724 145 1HH2 ARG 23 1HH2 ARG 23 -14.302 -3.174 25.087 146 2HH2 ARG 23 2HH2 ARG 23 -13.091 -2.035 25.451 147 H TYR 24 H TYR 24 -11.445 -3.049 17.139 148 HA TYR 24 HA TYR 24 -12.346 -4.307 14.656 149 1HB TYR 24 1HB TYR 24 -10.765 -1.820 15.215 150 2HB TYR 24 2HB TYR 24 -10.685 -2.605 13.643 151 HD1 TYR 24 HD1 TYR 24 -12.264 -2.184 12.050 152 HD2 TYR 24 HD2 TYR 24 -13.099 -1.139 16.081 153 HE1 TYR 24 HE1 TYR 24 -14.287 -1.058 11.315 154 HE2 TYR 24 HE2 TYR 24 -15.152 0.005 15.362 155 HH TYR 24 HH TYR 24 -16.447 -0.471 12.290 156 H GLN 25 H GLN 25 -11.435 -6.260 14.904 157 HA GLN 25 HA GLN 25 -8.718 -6.557 15.681 158 1HB GLN 25 1HB GLN 25 -9.051 -8.929 15.202 159 2HB GLN 25 2HB GLN 25 -10.307 -8.278 16.238 160 1HG GLN 25 1HG GLN 25 -11.784 -9.198 14.849 161 2HG GLN 25 2HG GLN 25 -11.291 -7.903 13.747 162 1HE2 GLN 25 1HE2 GLN 25 -9.170 -10.602 14.573 163 2HE2 GLN 25 2HE2 GLN 25 -9.193 -11.305 13.012 164 H LEU 26 H LEU 26 -7.282 -7.944 14.263 165 HA LEU 26 HA LEU 26 -6.517 -6.129 12.223 166 1HB LEU 26 1HB LEU 26 -5.288 -8.834 12.719 167 2HB LEU 26 2HB LEU 26 -4.550 -7.439 11.975 168 HG LEU 26 HG LEU 26 -3.516 -7.490 14.017 169 1HD1 LEU 26 1HD1 LEU 26 -4.355 -5.711 15.436 170 2HD1 LEU 26 2HD1 LEU 26 -5.878 -5.760 14.542 171 3HD1 LEU 26 3HD1 LEU 26 -4.388 -5.283 13.715 172 1HD2 LEU 26 1HD2 LEU 26 -4.809 -9.330 14.997 173 2HD2 LEU 26 2HD2 LEU 26 -6.107 -8.211 15.420 174 3HD2 LEU 26 3HD2 LEU 26 -4.526 -8.047 16.166 175 H GLY 27 H GLY 27 -7.187 -9.617 12.099 176 1HA GLY 27 1HA GLY 27 -8.634 -10.542 10.456 177 2HA GLY 27 2HA GLY 27 -8.257 -9.179 9.410 178 H PHE 28 H PHE 28 -5.928 -11.104 11.228 179 HA PHE 28 HA PHE 28 -5.329 -12.718 8.967 180 1HB PHE 28 1HB PHE 28 -3.024 -12.071 8.583 181 2HB PHE 28 2HB PHE 28 -3.972 -10.620 8.454 182 HD1 PHE 28 HD1 PHE 28 -3.791 -8.872 10.195 183 HD2 PHE 28 HD2 PHE 28 -1.401 -12.384 10.324 184 HE1 PHE 28 HE1 PHE 28 -2.271 -7.778 11.787 185 HE2 PHE 28 HE2 PHE 28 0.114 -11.298 11.927 186 HZ PHE 28 HZ PHE 28 -0.321 -8.995 12.655 187 H SER 29 H SER 29 -3.915 -14.381 9.500 188 HA SER 29 HA SER 29 -3.848 -14.952 12.399 189 1HB SER 29 1HB SER 29 -3.803 -16.839 10.046 190 2HB SER 29 2HB SER 29 -3.864 -17.317 11.747 191 HG SER 29 HG SER 29 -5.907 -16.635 11.891 192 H VAL 30 H VAL 30 -1.839 -15.261 13.338 193 HA VAL 30 HA VAL 30 0.403 -15.343 11.451 194 HB VAL 30 HB VAL 30 -0.177 -13.241 12.977 195 1HG1 VAL 30 1HG1 VAL 30 1.167 -13.052 14.965 196 2HG1 VAL 30 2HG1 VAL 30 1.631 -14.742 14.793 197 3HG1 VAL 30 3HG1 VAL 30 -0.061 -14.324 15.118 198 1HG2 VAL 30 1HG2 VAL 30 1.571 -13.241 11.361 199 2HG2 VAL 30 2HG2 VAL 30 2.615 -14.170 12.438 200 3HG2 VAL 30 3HG2 VAL 30 2.155 -12.522 12.860 201 H GLN 31 H GLN 31 1.915 -16.909 11.734 202 HA GLN 31 HA GLN 31 1.762 -18.534 14.167 203 1HB GLN 31 1HB GLN 31 2.760 -20.408 12.795 204 2HB GLN 31 2HB GLN 31 1.137 -19.945 12.317 205 1HG GLN 31 1HG GLN 31 1.958 -18.812 10.378 206 2HG GLN 31 2HG GLN 31 3.617 -18.978 10.937 207 1HE2 GLN 31 1HE2 GLN 31 4.659 -20.881 10.711 208 2HE2 GLN 31 2HE2 GLN 31 4.083 -22.196 9.765 209 H ASN 32 H ASN 32 3.330 -18.192 15.480 210 HA ASN 32 HA ASN 32 5.274 -17.522 16.458 211 1HB ASN 32 1HB ASN 32 6.598 -18.524 13.918 212 2HB ASN 32 2HB ASN 32 7.416 -18.192 15.430 213 1HD2 ASN 32 1HD2 ASN 32 7.477 -20.575 14.009 214 2HD2 ASN 32 2HD2 ASN 32 6.756 -21.834 14.960 215 H GLY 33 H GLY 33 3.942 -15.710 14.352 216 1HA GLY 33 1HA GLY 33 4.480 -13.354 14.250 217 2HA GLY 33 2HA GLY 33 6.179 -13.804 14.160 218 H ILE 34 H ILE 34 4.587 -15.977 12.292 219 HA ILE 34 HA ILE 34 5.020 -14.360 9.864 220 HB ILE 34 HB ILE 34 5.076 -17.406 10.084 221 1HG1 ILE 34 1HG1 ILE 34 7.476 -17.131 9.253 222 2HG1 ILE 34 2HG1 ILE 34 7.308 -15.419 9.605 223 1HG2 ILE 34 1HG2 ILE 34 5.771 -17.349 7.708 224 2HG2 ILE 34 2HG2 ILE 34 5.513 -15.594 7.741 225 3HG2 ILE 34 3HG2 ILE 34 4.149 -16.683 7.977 226 1HD1 ILE 34 1HD1 ILE 34 7.170 -17.666 11.601 227 2HD1 ILE 34 2HD1 ILE 34 7.022 -15.939 11.963 228 3HD1 ILE 34 3HD1 ILE 34 8.534 -16.581 11.318 229 H ILE 35 H ILE 35 3.354 -13.718 8.907 230 HA ILE 35 HA ILE 35 0.695 -14.338 9.485 231 HB ILE 35 HB ILE 35 1.902 -13.123 6.996 232 1HG1 ILE 35 1HG1 ILE 35 0.631 -11.697 9.321 233 2HG1 ILE 35 2HG1 ILE 35 2.322 -12.171 9.367 234 1HG2 ILE 35 1HG2 ILE 35 -0.345 -12.105 6.689 235 2HG2 ILE 35 2HG2 ILE 35 -0.958 -13.077 8.036 236 3HG2 ILE 35 3HG2 ILE 35 -0.403 -13.858 6.564 237 1HD1 ILE 35 1HD1 ILE 35 1.816 -9.831 8.657 238 2HD1 ILE 35 2HD1 ILE 35 1.199 -10.553 7.135 239 3HD1 ILE 35 3HD1 ILE 35 2.870 -10.785 7.623 240 H CYS 36 H CYS 36 -0.499 -16.051 8.951 241 HA CYS 36 HA CYS 36 0.505 -17.893 6.904 242 1HB CYS 36 1HB CYS 36 0.194 -18.637 9.301 243 2HB CYS 36 2HB CYS 36 -1.534 -18.455 9.049 244 HG CYS 36 HG CYS 36 0.249 -21.007 8.620 245 H SER 37 H SER 37 -2.341 -15.985 7.827 246 HA SER 37 HA SER 37 -3.347 -16.305 5.168 247 1HB SER 37 1HB SER 37 -5.638 -16.889 5.995 248 2HB SER 37 2HB SER 37 -4.458 -18.176 6.230 249 HG SER 37 HG SER 37 -5.838 -16.649 8.037 250 H LEU 38 H LEU 38 -5.163 -14.755 4.779 251 HA LEU 38 HA LEU 38 -5.120 -12.468 6.587 252 1HB LEU 38 1HB LEU 38 -3.402 -12.070 4.947 253 2HB LEU 38 2HB LEU 38 -4.473 -12.529 3.646 254 HG LEU 38 HG LEU 38 -5.796 -10.482 4.011 255 1HD1 LEU 38 1HD1 LEU 38 -4.956 -8.760 5.514 256 2HD1 LEU 38 2HD1 LEU 38 -3.710 -9.853 6.087 257 3HD1 LEU 38 3HD1 LEU 38 -5.414 -10.209 6.404 258 1HD2 LEU 38 1HD2 LEU 38 -3.927 -10.461 2.450 259 2HD2 LEU 38 2HD2 LEU 38 -2.851 -10.010 3.781 260 3HD2 LEU 38 3HD2 LEU 38 -4.109 -8.900 3.263 261 H MET 39 H MET 39 -7.116 -11.693 6.852 262 HA MET 39 HA MET 39 -9.350 -12.827 5.463 263 1HB MET 39 1HB MET 39 -9.552 -12.302 7.838 264 2HB MET 39 2HB MET 39 -9.183 -10.614 7.526 265 1HG MET 39 1HG MET 39 -11.550 -10.896 7.931 266 2HG MET 39 2HG MET 39 -11.275 -10.391 6.266 267 1HE MET 39 1HE MET 39 -13.772 -11.082 5.638 268 2HE MET 39 2HE MET 39 -14.045 -11.570 7.311 269 3HE MET 39 3HE MET 39 -14.464 -12.663 5.994 270 H ARG 40 H ARG 40 -9.847 -12.240 3.570 271 HA ARG 40 HA ARG 40 -9.020 -10.074 2.095 272 1HB ARG 40 1HB ARG 40 -9.966 -12.160 1.252 273 2HB ARG 40 2HB ARG 40 -11.550 -11.665 1.847 274 1HG ARG 40 1HG ARG 40 -11.375 -11.385 -0.554 275 2HG ARG 40 2HG ARG 40 -11.543 -9.819 0.242 276 1HD ARG 40 1HD ARG 40 -9.826 -9.889 -1.590 277 2HD ARG 40 2HD ARG 40 -9.239 -9.357 -0.011 278 HE ARG 40 HE ARG 40 -8.030 -11.297 0.223 279 1HH1 ARG 40 1HH1 ARG 40 -9.847 -11.451 -2.824 280 2HH1 ARG 40 2HH1 ARG 40 -8.825 -12.644 -3.502 281 1HH2 ARG 40 1HH2 ARG 40 -6.745 -12.951 -0.651 282 2HH2 ARG 40 2HH2 ARG 40 -7.011 -13.566 -2.218 283 H GLY 41 H GLY 41 -9.520 -8.039 2.138 284 1HA GLY 41 1HA GLY 41 -10.917 -6.170 2.064 285 2HA GLY 41 2HA GLY 41 -12.225 -7.141 2.712 286 H GLY 42 H GLY 42 -9.792 -7.858 4.710 287 1HA GLY 42 1HA GLY 42 -10.900 -6.189 6.782 288 2HA GLY 42 2HA GLY 42 -9.658 -7.413 6.978 289 H ILE 43 H ILE 43 -9.321 -5.197 8.396 290 HA ILE 43 HA ILE 43 -7.985 -3.122 7.049 291 HB ILE 43 HB ILE 43 -6.865 -2.684 9.343 292 1HG1 ILE 43 1HG1 ILE 43 -9.186 -4.399 10.244 293 2HG1 ILE 43 2HG1 ILE 43 -7.480 -4.807 10.413 294 1HG2 ILE 43 1HG2 ILE 43 -9.760 -2.132 8.826 295 2HG2 ILE 43 2HG2 ILE 43 -8.318 -1.169 8.415 296 3HG2 ILE 43 3HG2 ILE 43 -8.770 -1.392 10.095 297 1HD1 ILE 43 1HD1 ILE 43 -8.882 -2.480 11.726 298 2HD1 ILE 43 2HD1 ILE 43 -7.177 -2.892 11.913 299 3HD1 ILE 43 3HD1 ILE 43 -8.421 -3.990 12.514 300 H ALA 44 H ALA 44 -6.791 -6.122 8.345 301 HA ALA 44 HA ALA 44 -4.078 -5.552 8.291 302 1HB ALA 44 1HB ALA 44 -3.753 -7.966 8.110 303 2HB ALA 44 2HB ALA 44 -5.414 -8.165 7.589 304 3HB ALA 44 3HB ALA 44 -5.075 -7.616 9.222 305 H GLU 45 H GLU 45 -6.165 -6.688 5.700 306 HA GLU 45 HA GLU 45 -4.223 -6.893 3.674 307 1HB GLU 45 1HB GLU 45 -6.491 -7.841 3.551 308 2HB GLU 45 2HB GLU 45 -7.155 -6.217 3.473 309 1HG GLU 45 1HG GLU 45 -5.877 -5.876 1.365 310 2HG GLU 45 2HG GLU 45 -5.438 -7.585 1.423 311 H ARG 46 H ARG 46 -6.411 -4.341 4.610 312 HA ARG 46 HA ARG 46 -5.578 -2.474 2.617 313 1HB ARG 46 1HB ARG 46 -7.007 -1.849 5.215 314 2HB ARG 46 2HB ARG 46 -6.965 -0.836 3.777 315 1HG ARG 46 1HG ARG 46 -8.194 -2.600 2.536 316 2HG ARG 46 2HG ARG 46 -8.287 -3.540 4.018 317 1HD ARG 46 1HD ARG 46 -9.474 -1.572 5.063 318 2HD ARG 46 2HD ARG 46 -9.557 -0.867 3.449 319 HE ARG 46 HE ARG 46 -10.715 -3.512 4.065 320 1HH1 ARG 46 1HH1 ARG 46 -11.096 -0.304 2.571 321 2HH1 ARG 46 2HH1 ARG 46 -12.685 -0.618 2.045 322 1HH2 ARG 46 1HH2 ARG 46 -12.859 -3.910 3.326 323 2HH2 ARG 46 2HH2 ARG 46 -13.726 -2.732 2.475 324 H GLY 47 H GLY 47 -4.309 -3.361 5.652 325 1HA GLY 47 1HA GLY 47 -2.705 -1.018 6.052 326 2HA GLY 47 2HA GLY 47 -2.622 -2.513 6.963 327 H GLY 48 H GLY 48 -2.386 -4.039 4.366 328 1HA GLY 48 1HA GLY 48 -0.718 -4.082 2.600 329 2HA GLY 48 2HA GLY 48 0.381 -3.282 3.713 330 H VAL 49 H VAL 49 -1.536 -5.664 5.219 331 HA VAL 49 HA VAL 49 0.706 -7.269 5.849 332 HB VAL 49 HB VAL 49 -2.272 -7.544 6.259 333 1HG1 VAL 49 1HG1 VAL 49 -0.142 -9.243 7.518 334 2HG1 VAL 49 2HG1 VAL 49 -1.183 -9.797 6.204 335 3HG1 VAL 49 3HG1 VAL 49 -1.876 -9.401 7.781 336 1HG2 VAL 49 1HG2 VAL 49 -1.301 -5.782 7.520 337 2HG2 VAL 49 2HG2 VAL 49 -0.034 -6.854 8.118 338 3HG2 VAL 49 3HG2 VAL 49 -1.711 -7.100 8.624 339 H ARG 50 H ARG 50 1.311 -9.208 4.967 340 HA ARG 50 HA ARG 50 -0.286 -10.377 2.777 341 1HB ARG 50 1HB ARG 50 2.694 -9.910 2.638 342 2HB ARG 50 2HB ARG 50 1.681 -10.667 1.422 343 1HG ARG 50 1HG ARG 50 1.463 -7.843 2.312 344 2HG ARG 50 2HG ARG 50 2.372 -8.380 0.872 345 1HD ARG 50 1HD ARG 50 0.280 -9.182 -0.088 346 2HD ARG 50 2HD ARG 50 -0.584 -8.725 1.382 347 HE ARG 50 HE ARG 50 0.829 -6.537 0.276 348 1HH1 ARG 50 1HH1 ARG 50 -2.144 -8.412 -0.112 349 2HH1 ARG 50 2HH1 ARG 50 -3.035 -7.118 -0.799 350 1HH2 ARG 50 1HH2 ARG 50 -0.363 -4.800 -0.652 351 2HH2 ARG 50 2HH2 ARG 50 -1.983 -5.038 -1.126 352 H VAL 51 H VAL 51 0.078 -12.380 2.452 353 HA VAL 51 HA VAL 51 0.678 -13.851 4.840 354 HB VAL 51 HB VAL 51 -0.338 -14.518 2.136 355 1HG1 VAL 51 1HG1 VAL 51 0.000 -16.420 4.494 356 2HG1 VAL 51 2HG1 VAL 51 0.924 -16.497 2.994 357 3HG1 VAL 51 3HG1 VAL 51 -0.811 -16.837 2.981 358 1HG2 VAL 51 1HG2 VAL 51 -1.875 -13.368 3.526 359 2HG2 VAL 51 2HG2 VAL 51 -1.616 -14.522 4.836 360 3HG2 VAL 51 3HG2 VAL 51 -2.414 -15.040 3.351 361 H GLY 52 H GLY 52 2.333 -15.309 5.139 362 1HA GLY 52 1HA GLY 52 4.336 -16.383 4.678 363 2HA GLY 52 2HA GLY 52 4.287 -15.727 3.039 364 H HIS 53 H HIS 53 3.753 -13.725 5.737 365 HA HIS 53 HA HIS 53 6.396 -12.527 5.365 366 1HB HIS 53 1HB HIS 53 3.730 -11.228 5.745 367 2HB HIS 53 2HB HIS 53 5.182 -10.448 6.349 368 HD1 HIS 53 HD1 HIS 53 5.383 -8.514 4.745 369 HD2 HIS 53 HD2 HIS 53 4.884 -12.169 2.817 370 HE1 HIS 53 HE1 HIS 53 5.632 -8.036 2.317 371 HE2 HIS 53 HE2 HIS 53 5.761 -10.290 1.279 372 H ARG 54 H ARG 54 7.599 -12.261 7.054 373 HA ARG 54 HA ARG 54 6.553 -13.095 9.661 374 1HB ARG 54 1HB ARG 54 8.666 -14.158 8.884 375 2HB ARG 54 2HB ARG 54 9.414 -12.569 8.815 376 1HG ARG 54 1HG ARG 54 9.189 -12.314 11.207 377 2HG ARG 54 2HG ARG 54 8.321 -13.842 11.324 378 1HD ARG 54 1HD ARG 54 10.602 -14.206 11.986 379 2HD ARG 54 2HD ARG 54 10.340 -14.985 10.429 380 HE ARG 54 HE ARG 54 11.665 -12.373 10.736 381 1HH1 ARG 54 1HH1 ARG 54 11.616 -15.650 9.263 382 2HH1 ARG 54 2HH1 ARG 54 12.977 -15.342 8.299 383 1HH2 ARG 54 1HH2 ARG 54 13.570 -12.043 9.421 384 2HH2 ARG 54 2HH2 ARG 54 14.026 -13.257 8.304 385 H ILE 55 H ILE 55 5.970 -11.610 10.982 386 HA ILE 55 HA ILE 55 6.508 -8.845 10.454 387 HB ILE 55 HB ILE 55 5.261 -10.097 12.902 388 1HG1 ILE 55 1HG1 ILE 55 3.984 -8.957 10.407 389 2HG1 ILE 55 2HG1 ILE 55 3.978 -10.645 10.907 390 1HG2 ILE 55 1HG2 ILE 55 5.281 -7.260 11.874 391 2HG2 ILE 55 2HG2 ILE 55 6.072 -7.849 13.339 392 3HG2 ILE 55 3HG2 ILE 55 4.312 -7.827 13.232 393 1HD1 ILE 55 1HD1 ILE 55 2.680 -10.075 12.830 394 2HD1 ILE 55 2HD1 ILE 55 1.890 -9.479 11.340 395 3HD1 ILE 55 3HD1 ILE 55 2.815 -8.369 12.384 396 H ILE 56 H ILE 56 8.205 -7.794 11.081 397 HA ILE 56 HA ILE 56 9.723 -8.990 13.155 398 HB ILE 56 HB ILE 56 11.785 -7.928 12.244 399 1HG1 ILE 56 1HG1 ILE 56 11.592 -7.154 9.771 400 2HG1 ILE 56 2HG1 ILE 56 9.888 -6.909 10.130 401 1HG2 ILE 56 1HG2 ILE 56 11.993 -9.340 10.254 402 2HG2 ILE 56 2HG2 ILE 56 10.249 -9.584 10.258 403 3HG2 ILE 56 3HG2 ILE 56 11.223 -10.195 11.590 404 1HD1 ILE 56 1HD1 ILE 56 12.190 -5.562 11.510 405 2HD1 ILE 56 2HD1 ILE 56 10.474 -5.291 11.832 406 3HD1 ILE 56 3HD1 ILE 56 11.160 -4.868 10.259 407 H GLU 57 H GLU 57 7.633 -6.523 12.877 408 HA GLU 57 HA GLU 57 8.367 -5.450 15.391 409 1HB GLU 57 1HB GLU 57 10.150 -4.343 14.043 410 2HB GLU 57 2HB GLU 57 8.903 -3.642 13.020 411 1HG GLU 57 1HG GLU 57 8.191 -2.192 14.721 412 2HG GLU 57 2HG GLU 57 9.043 -3.099 15.964 413 H ILE 58 H ILE 58 6.821 -4.289 16.302 414 HA ILE 58 HA ILE 58 4.462 -3.519 14.726 415 HB ILE 58 HB ILE 58 4.462 -5.085 17.317 416 1HG1 ILE 58 1HG1 ILE 58 3.193 -5.905 14.711 417 2HG1 ILE 58 2HG1 ILE 58 4.832 -6.388 15.156 418 1HG2 ILE 58 1HG2 ILE 58 2.158 -3.943 15.727 419 2HG2 ILE 58 2HG2 ILE 58 2.699 -3.389 17.306 420 3HG2 ILE 58 3HG2 ILE 58 1.980 -4.995 17.135 421 1HD1 ILE 58 1HD1 ILE 58 2.310 -7.023 16.673 422 2HD1 ILE 58 2HD1 ILE 58 3.970 -7.512 17.071 423 3HD1 ILE 58 3HD1 ILE 58 3.216 -8.106 15.599 424 H ASN 59 H ASN 59 4.127 -1.460 15.193 425 HA ASN 59 HA ASN 59 3.672 0.464 16.311 426 1HB ASN 59 1HB ASN 59 2.504 -1.195 17.887 427 2HB ASN 59 2HB ASN 59 3.921 -1.075 18.913 428 1HD2 ASN 59 1HD2 ASN 59 1.066 0.464 17.791 429 2HD2 ASN 59 2HD2 ASN 59 1.041 1.770 18.898 430 H GLY 60 H GLY 60 6.571 -0.909 16.300 431 1HA GLY 60 1HA GLY 60 8.486 0.619 16.352 432 2HA GLY 60 2HA GLY 60 7.809 1.291 17.828 433 H GLN 61 H GLN 61 7.247 -1.935 18.061 434 HA GLN 61 HA GLN 61 9.874 -2.440 19.241 435 1HB GLN 61 1HB GLN 61 8.786 -3.952 20.886 436 2HB GLN 61 2HB GLN 61 8.332 -2.275 21.091 437 1HG GLN 61 1HG GLN 61 6.192 -2.736 19.992 438 2HG GLN 61 2HG GLN 61 6.667 -4.426 19.802 439 1HE2 GLN 61 1HE2 GLN 61 4.945 -5.137 21.044 440 2HE2 GLN 61 2HE2 GLN 61 4.849 -4.905 22.753 441 H SER 62 H SER 62 11.013 -3.985 18.554 442 HA SER 62 HA SER 62 10.140 -5.422 16.291 443 1HB SER 62 1HB SER 62 12.593 -5.896 17.989 444 2HB SER 62 2HB SER 62 12.376 -6.279 16.281 445 HG SER 62 HG SER 62 11.954 -3.787 16.177 446 H VAL 63 H VAL 63 8.747 -7.141 16.440 447 HA VAL 63 HA VAL 63 8.583 -8.578 18.968 448 HB VAL 63 HB VAL 63 6.362 -9.177 18.169 449 1HG1 VAL 63 1HG1 VAL 63 6.638 -7.160 19.500 450 2HG1 VAL 63 2HG1 VAL 63 5.390 -6.861 18.294 451 3HG1 VAL 63 3HG1 VAL 63 7.015 -6.216 18.075 452 1HG2 VAL 63 1HG2 VAL 63 5.486 -8.239 16.091 453 2HG2 VAL 63 2HG2 VAL 63 6.937 -9.179 15.755 454 3HG2 VAL 63 3HG2 VAL 63 7.016 -7.419 15.794 455 H VAL 64 H VAL 64 10.427 -8.902 16.633 456 HA VAL 64 HA VAL 64 9.674 -11.354 15.391 457 HB VAL 64 HB VAL 64 11.147 -9.443 14.546 458 1HG1 VAL 64 1HG1 VAL 64 13.249 -10.929 16.021 459 2HG1 VAL 64 2HG1 VAL 64 12.705 -9.271 16.284 460 3HG1 VAL 64 3HG1 VAL 64 13.547 -9.699 14.784 461 1HG2 VAL 64 1HG2 VAL 64 10.681 -11.259 13.238 462 2HG2 VAL 64 2HG2 VAL 64 11.828 -12.315 14.090 463 3HG2 VAL 64 3HG2 VAL 64 12.417 -10.967 13.081 464 H ALA 65 H ALA 65 10.816 -10.561 18.353 465 HA ALA 65 HA ALA 65 11.807 -13.266 18.914 466 1HB ALA 65 1HB ALA 65 13.637 -11.652 18.996 467 2HB ALA 65 2HB ALA 65 13.256 -12.245 20.614 468 3HB ALA 65 3HB ALA 65 12.711 -10.644 20.106 469 H THR 66 H THR 66 9.145 -11.842 18.975 470 HA THR 66 HA THR 66 8.516 -12.008 21.784 471 HB THR 66 HB THR 66 7.166 -10.631 19.418 472 HG1 THR 66 HG1 THR 66 9.158 -9.854 21.065 473 1HG2 THR 66 1HG2 THR 66 6.485 -10.511 22.355 474 2HG2 THR 66 2HG2 THR 66 5.560 -11.373 21.117 475 3HG2 THR 66 3HG2 THR 66 5.704 -9.618 21.045 476 HA PRO 67 HA PRO 67 6.614 -15.856 20.412 477 1HB PRO 67 1HB PRO 67 5.016 -16.229 22.634 478 2HB PRO 67 2HB PRO 67 6.708 -16.723 22.515 479 1HG PRO 67 1HG PRO 67 5.510 -14.366 23.864 480 2HG PRO 67 2HG PRO 67 6.937 -15.308 24.301 481 1HD PRO 67 1HD PRO 67 7.022 -12.847 23.120 482 2HD PRO 67 2HD PRO 67 8.309 -14.057 22.974 483 H HIS 68 H HIS 68 4.585 -16.698 19.825 484 HA HIS 68 HA HIS 68 2.912 -15.172 18.347 485 1HB HIS 68 1HB HIS 68 2.806 -17.536 18.060 486 2HB HIS 68 2HB HIS 68 2.329 -17.792 19.727 487 HD1 HIS 68 HD1 HIS 68 0.877 -17.135 16.315 488 HD2 HIS 68 HD2 HIS 68 -0.466 -17.296 20.257 489 HE1 HIS 68 HE1 HIS 68 -1.588 -17.173 16.188 490 HE2 HIS 68 HE2 HIS 68 -2.367 -16.952 18.513 491 H GLU 69 H GLU 69 2.122 -16.187 21.666 492 HA GLU 69 HA GLU 69 -0.375 -14.924 21.507 493 1HB GLU 69 1HB GLU 69 -0.011 -16.794 22.996 494 2HB GLU 69 2HB GLU 69 1.107 -15.817 23.953 495 1HG GLU 69 1HG GLU 69 -0.662 -14.368 24.658 496 2HG GLU 69 2HG GLU 69 -1.798 -15.135 23.553 497 H LYS 70 H LYS 70 2.720 -13.894 22.804 498 HA LYS 70 HA LYS 70 1.803 -11.489 23.846 499 1HB LYS 70 1HB LYS 70 4.386 -12.597 23.168 500 2HB LYS 70 2HB LYS 70 4.288 -10.911 22.763 501 1HG LYS 70 1HG LYS 70 3.246 -10.686 25.148 502 2HG LYS 70 2HG LYS 70 4.114 -12.204 25.415 503 1HD LYS 70 1HD LYS 70 6.168 -11.161 24.624 504 2HD LYS 70 2HD LYS 70 5.254 -9.672 24.333 505 1HE LYS 70 1HE LYS 70 5.672 -10.999 26.989 506 2HE LYS 70 2HE LYS 70 6.477 -9.534 26.389 507 1HZ LYS 70 1HZ LYS 70 3.556 -9.810 26.901 508 2HZ LYS 70 2HZ LYS 70 4.321 -8.427 26.319 509 3HZ LYS 70 3HZ LYS 70 4.653 -8.970 27.866 510 H ILE 71 H ILE 71 3.119 -12.247 20.660 511 HA ILE 71 HA ILE 71 2.915 -9.746 19.476 512 HB ILE 71 HB ILE 71 2.513 -12.476 18.204 513 1HG1 ILE 71 1HG1 ILE 71 4.915 -10.664 18.383 514 2HG1 ILE 71 2HG1 ILE 71 4.692 -12.190 19.226 515 1HG2 ILE 71 1HG2 ILE 71 3.121 -9.860 16.858 516 2HG2 ILE 71 2HG2 ILE 71 1.554 -10.692 16.779 517 3HG2 ILE 71 3HG2 ILE 71 3.000 -11.429 16.057 518 1HD1 ILE 71 1HD1 ILE 71 4.752 -13.381 17.107 519 2HD1 ILE 71 2HD1 ILE 71 6.200 -12.376 17.322 520 3HD1 ILE 71 3HD1 ILE 71 4.915 -11.848 16.244 521 H VAL 72 H VAL 72 0.461 -12.274 19.728 522 HA VAL 72 HA VAL 72 -1.506 -10.826 18.307 523 HB VAL 72 HB VAL 72 -1.785 -13.193 20.188 524 1HG1 VAL 72 1HG1 VAL 72 -3.832 -12.031 18.288 525 2HG1 VAL 72 2HG1 VAL 72 -3.911 -11.973 20.049 526 3HG1 VAL 72 3HG1 VAL 72 -4.014 -13.523 19.212 527 1HG2 VAL 72 1HG2 VAL 72 -1.772 -12.995 17.183 528 2HG2 VAL 72 2HG2 VAL 72 -2.015 -14.479 18.111 529 3HG2 VAL 72 3HG2 VAL 72 -0.474 -13.623 18.193 530 H HIS 73 H HIS 73 -0.546 -10.929 21.673 531 HA HIS 73 HA HIS 73 -2.962 -9.751 22.689 532 1HB HIS 73 1HB HIS 73 -1.332 -11.165 24.060 533 2HB HIS 73 2HB HIS 73 -0.229 -9.799 24.021 534 HD1 HIS 73 HD1 HIS 73 -3.185 -11.127 25.795 535 HD2 HIS 73 HD2 HIS 73 -1.164 -7.497 25.508 536 HE1 HIS 73 HE1 HIS 73 -4.003 -9.741 27.707 537 HE2 HIS 73 HE2 HIS 73 -2.573 -7.674 27.663 538 H ILE 74 H ILE 74 0.251 -8.673 21.849 539 HA ILE 74 HA ILE 74 0.081 -6.016 22.552 540 HB ILE 74 HB ILE 74 1.685 -7.509 20.490 541 1HG1 ILE 74 1HG1 ILE 74 2.606 -6.306 23.074 542 2HG1 ILE 74 2HG1 ILE 74 1.826 -7.884 23.031 543 1HG2 ILE 74 1HG2 ILE 74 2.056 -4.660 21.425 544 2HG2 ILE 74 2HG2 ILE 74 1.526 -5.160 19.815 545 3HG2 ILE 74 3HG2 ILE 74 3.154 -5.566 20.372 546 1HD1 ILE 74 1HD1 ILE 74 4.294 -7.118 21.525 547 2HD1 ILE 74 2HD1 ILE 74 3.445 -8.690 21.570 548 3HD1 ILE 74 3HD1 ILE 74 4.223 -8.074 23.035 549 H LEU 75 H LEU 75 -0.477 -7.640 19.430 550 HA LEU 75 HA LEU 75 -1.329 -5.395 17.999 551 1HB LEU 75 1HB LEU 75 -2.008 -8.300 17.673 552 2HB LEU 75 2HB LEU 75 -2.603 -7.071 16.576 553 HG LEU 75 HG LEU 75 0.314 -7.649 17.069 554 1HD1 LEU 75 1HD1 LEU 75 -1.483 -8.425 14.774 555 2HD1 LEU 75 2HD1 LEU 75 -0.806 -9.524 15.975 556 3HD1 LEU 75 3HD1 LEU 75 0.261 -8.678 14.849 557 1HD2 LEU 75 1HD2 LEU 75 -0.164 -5.333 16.378 558 2HD2 LEU 75 2HD2 LEU 75 -1.082 -5.944 15.002 559 3HD2 LEU 75 3HD2 LEU 75 0.652 -6.238 15.105 560 H SER 76 H SER 76 -3.245 -7.703 19.823 561 HA SER 76 HA SER 76 -5.748 -6.585 19.276 562 1HB SER 76 1HB SER 76 -4.917 -8.227 21.668 563 2HB SER 76 2HB SER 76 -6.575 -7.956 21.115 564 HG SER 76 HG SER 76 -4.515 -9.468 20.005 565 H ASN 77 H ASN 77 -3.324 -5.566 21.541 566 HA ASN 77 HA ASN 77 -5.255 -3.900 22.957 567 1HB ASN 77 1HB ASN 77 -2.380 -4.578 23.546 568 2HB ASN 77 2HB ASN 77 -3.200 -3.259 24.360 569 1HD2 ASN 77 1HD2 ASN 77 -4.758 -6.262 23.477 570 2HD2 ASN 77 2HD2 ASN 77 -5.014 -6.833 25.089 571 H ALA 78 H ALA 78 -3.008 -3.612 20.410 572 HA ALA 78 HA ALA 78 -2.700 -0.751 20.886 573 1HB ALA 78 1HB ALA 78 -0.913 -0.820 19.183 574 2HB ALA 78 2HB ALA 78 -1.267 -2.509 18.859 575 3HB ALA 78 3HB ALA 78 -0.624 -2.037 20.423 576 H VAL 79 H VAL 79 -3.616 0.765 19.640 577 HA VAL 79 HA VAL 79 -4.787 -0.099 17.126 578 HB VAL 79 HB VAL 79 -6.968 0.754 17.518 579 1HG1 VAL 79 1HG1 VAL 79 -6.797 -1.112 18.676 580 2HG1 VAL 79 2HG1 VAL 79 -7.814 0.058 19.525 581 3HG1 VAL 79 3HG1 VAL 79 -6.167 -0.257 20.079 582 1HG2 VAL 79 1HG2 VAL 79 -5.988 2.366 19.835 583 2HG2 VAL 79 2HG2 VAL 79 -7.636 2.279 19.148 584 3HG2 VAL 79 3HG2 VAL 79 -6.309 2.962 18.192 585 H GLY 80 H GLY 80 -5.653 2.208 16.025 586 1HA GLY 80 1HA GLY 80 -5.085 4.369 15.389 587 2HA GLY 80 2HA GLY 80 -3.740 4.329 16.527 588 H GLU 81 H GLU 81 -2.275 5.099 14.956 589 HA GLU 81 HA GLU 81 -1.829 3.551 12.572 590 1HB GLU 81 1HB GLU 81 -0.215 5.763 13.845 591 2HB GLU 81 2HB GLU 81 0.142 5.040 12.291 592 1HG GLU 81 1HG GLU 81 -2.021 5.850 11.447 593 2HG GLU 81 2HG GLU 81 -2.313 6.616 13.013 594 H ILE 82 H ILE 82 -0.874 1.686 12.666 595 HA ILE 82 HA ILE 82 1.177 1.272 14.730 596 HB ILE 82 HB ILE 82 -0.685 -0.758 13.463 597 1HG1 ILE 82 1HG1 ILE 82 -0.587 0.227 16.321 598 2HG1 ILE 82 2HG1 ILE 82 -1.704 0.838 15.109 599 1HG2 ILE 82 1HG2 ILE 82 1.392 -1.111 15.639 600 2HG2 ILE 82 2HG2 ILE 82 1.510 -1.728 13.992 601 3HG2 ILE 82 3HG2 ILE 82 0.269 -2.351 15.080 602 1HD1 ILE 82 1HD1 ILE 82 -2.719 -1.328 14.916 603 2HD1 ILE 82 2HD1 ILE 82 -2.714 -0.808 16.599 604 3HD1 ILE 82 3HD1 ILE 82 -1.547 -2.014 16.042 605 H HIS 83 H HIS 83 3.114 1.125 13.911 606 HA HIS 83 HA HIS 83 3.513 0.514 11.049 607 1HB HIS 83 1HB HIS 83 5.595 1.290 13.134 608 2HB HIS 83 2HB HIS 83 5.827 1.211 11.398 609 HD1 HIS 83 HD1 HIS 83 5.332 3.556 14.031 610 HD2 HIS 83 HD2 HIS 83 4.128 3.294 10.073 611 HE1 HIS 83 HE1 HIS 83 4.605 5.859 13.397 612 HE2 HIS 83 HE2 HIS 83 3.524 5.537 11.152 613 H MET 84 H MET 84 3.695 -1.427 10.575 614 HA MET 84 HA MET 84 4.940 -3.209 12.502 615 1HB MET 84 1HB MET 84 2.378 -3.150 11.667 616 2HB MET 84 2HB MET 84 3.178 -4.062 10.382 617 1HG MET 84 1HG MET 84 4.001 -5.638 11.954 618 2HG MET 84 2HG MET 84 3.264 -4.661 13.257 619 1HE MET 84 1HE MET 84 2.614 -6.532 10.012 620 2HE MET 84 2HE MET 84 1.662 -5.049 9.861 621 3HE MET 84 3HE MET 84 0.840 -6.628 9.940 622 H LYS 85 H LYS 85 6.592 -4.497 11.487 623 HA LYS 85 HA LYS 85 6.968 -3.890 8.650 624 1HB LYS 85 1HB LYS 85 9.102 -4.043 10.751 625 2HB LYS 85 2HB LYS 85 9.367 -3.890 9.012 626 1HG LYS 85 1HG LYS 85 7.712 -1.843 9.382 627 2HG LYS 85 2HG LYS 85 8.459 -1.894 10.974 628 1HD LYS 85 1HD LYS 85 9.943 -1.944 8.431 629 2HD LYS 85 2HD LYS 85 9.562 -0.419 9.241 630 1HE LYS 85 1HE LYS 85 10.788 -1.367 11.275 631 2HE LYS 85 2HE LYS 85 11.342 -2.671 10.222 632 1HZ LYS 85 1HZ LYS 85 11.749 0.187 9.673 633 2HZ LYS 85 2HZ LYS 85 12.499 -1.057 8.839 634 3HZ LYS 85 3HZ LYS 85 12.911 -0.715 10.449 635 H THR 86 H THR 86 7.331 -5.403 7.459 636 HA THR 86 HA THR 86 7.492 -8.055 8.711 637 HB THR 86 HB THR 86 5.931 -8.958 7.114 638 HG1 THR 86 HG1 THR 86 5.983 -6.328 6.043 639 1HG2 THR 86 1HG2 THR 86 4.711 -6.454 8.303 640 2HG2 THR 86 2HG2 THR 86 5.023 -7.934 9.182 641 3HG2 THR 86 3HG2 THR 86 3.845 -7.931 7.865 642 H MET 87 H MET 87 8.448 -9.675 7.424 643 HA MET 87 HA MET 87 10.018 -8.711 5.117 644 1HB MET 87 1HB MET 87 10.667 -10.886 7.137 645 2HB MET 87 2HB MET 87 11.618 -10.528 5.710 646 1HG MET 87 1HG MET 87 12.105 -8.308 6.621 647 2HG MET 87 2HG MET 87 11.187 -8.726 8.071 648 1HE MET 87 1HE MET 87 14.365 -9.451 5.911 649 2HE MET 87 2HE MET 87 13.605 -11.049 5.923 650 3HE MET 87 3HE MET 87 15.113 -10.785 6.786 651 HA PRO 88 HA PRO 88 7.959 -12.146 3.001 652 1HB PRO 88 1HB PRO 88 10.407 -13.173 1.784 653 2HB PRO 88 2HB PRO 88 9.077 -12.318 1.011 654 1HG PRO 88 1HG PRO 88 11.536 -11.228 1.313 655 2HG PRO 88 2HG PRO 88 10.053 -10.260 1.310 656 1HD PRO 88 1HD PRO 88 11.708 -11.195 3.619 657 2HD PRO 88 2HD PRO 88 10.948 -9.611 3.345 658 H ALA 89 H ALA 89 9.209 -12.601 5.584 659 HA ALA 89 HA ALA 89 9.643 -14.192 7.149 660 1HB ALA 89 1HB ALA 89 8.586 -16.375 6.838 661 2HB ALA 89 2HB ALA 89 8.351 -16.015 5.117 662 3HB ALA 89 3HB ALA 89 7.523 -15.051 6.348 663 H ALA 90 H ALA 90 11.639 -13.508 5.271 664 HA ALA 90 HA ALA 90 13.137 -15.903 4.717 665 1HB ALA 90 1HB ALA 90 14.788 -14.343 3.776 666 2HB ALA 90 2HB ALA 90 13.832 -12.980 4.361 667 3HB ALA 90 3HB ALA 90 13.178 -14.044 3.116 Start of MODEL 8 1 H GLU 7 1H GLU 7 15.621 1.745 10.670 2 HA GLU 7 HA GLU 7 17.130 -0.641 11.412 3 1HB GLU 7 1HB GLU 7 14.997 -1.731 11.837 4 2HB GLU 7 2HB GLU 7 15.053 -0.283 12.814 5 1HG GLU 7 1HG GLU 7 13.522 -0.614 10.227 6 2HG GLU 7 2HG GLU 7 12.838 -0.665 11.846 7 H THR 8 H THR 8 15.808 -2.419 10.009 8 HA THR 8 HA THR 8 15.206 -3.244 8.086 9 HB THR 8 HB THR 8 15.209 -0.417 6.998 10 HG1 THR 8 HG1 THR 8 13.242 -0.400 7.761 11 1HG2 THR 8 1HG2 THR 8 14.383 -3.010 5.671 12 2HG2 THR 8 2HG2 THR 8 15.648 -1.906 5.133 13 3HG2 THR 8 3HG2 THR 8 13.955 -1.412 5.056 14 H MET 9 H MET 9 16.865 -4.454 8.032 15 HA MET 9 HA MET 9 18.688 -3.875 5.871 16 1HB MET 9 1HB MET 9 19.547 -4.596 8.627 17 2HB MET 9 2HB MET 9 20.370 -5.411 7.300 18 1HG MET 9 1HG MET 9 20.137 -2.438 7.676 19 2HG MET 9 2HG MET 9 21.577 -3.424 7.960 20 1HE MET 9 1HE MET 9 22.912 -1.725 6.346 21 2HE MET 9 2HE MET 9 21.441 -0.826 5.960 22 3HE MET 9 3HE MET 9 22.469 -1.436 4.663 23 H GLY 10 H GLY 10 17.340 -4.974 4.647 24 1HA GLY 10 1HA GLY 10 17.794 -7.460 3.941 25 2HA GLY 10 2HA GLY 10 16.651 -7.673 5.274 26 H ASN 11 H ASN 11 14.853 -8.231 4.161 27 HA ASN 11 HA ASN 11 13.950 -6.249 2.212 28 1HB ASN 11 1HB ASN 11 13.287 -9.213 2.359 29 2HB ASN 11 2HB ASN 11 12.491 -8.084 1.277 30 1HD2 ASN 11 1HD2 ASN 11 13.163 -9.268 -0.533 31 2HD2 ASN 11 2HD2 ASN 11 14.788 -9.240 -1.091 32 H VAL 12 H VAL 12 12.725 -4.911 3.344 33 HA VAL 12 HA VAL 12 10.866 -6.070 5.240 34 HB VAL 12 HB VAL 12 12.538 -3.576 5.560 35 1HG1 VAL 12 1HG1 VAL 12 10.240 -4.541 7.261 36 2HG1 VAL 12 2HG1 VAL 12 10.252 -3.079 6.277 37 3HG1 VAL 12 3HG1 VAL 12 11.332 -3.218 7.678 38 1HG2 VAL 12 1HG2 VAL 12 13.192 -4.600 7.676 39 2HG2 VAL 12 2HG2 VAL 12 13.656 -5.607 6.282 40 3HG2 VAL 12 3HG2 VAL 12 12.245 -6.029 7.265 41 H THR 13 H THR 13 8.962 -5.473 5.043 42 HA THR 13 HA THR 13 8.178 -3.235 3.342 43 HB THR 13 HB THR 13 7.214 -6.031 3.632 44 HG1 THR 13 HG1 THR 13 8.785 -4.796 1.825 45 1HG2 THR 13 1HG2 THR 13 5.316 -4.529 3.534 46 2HG2 THR 13 2HG2 THR 13 5.401 -5.482 2.043 47 3HG2 THR 13 3HG2 THR 13 5.939 -3.787 2.057 48 H THR 14 H THR 14 7.269 -1.872 4.569 49 HA THR 14 HA THR 14 6.474 -2.516 7.221 50 HB THR 14 HB THR 14 6.220 0.039 5.710 51 HG1 THR 14 HG1 THR 14 8.339 0.144 5.833 52 1HG2 THR 14 1HG2 THR 14 6.347 -0.609 8.667 53 2HG2 THR 14 2HG2 THR 14 4.966 0.040 7.799 54 3HG2 THR 14 3HG2 THR 14 6.406 1.039 8.040 55 H VAL 15 H VAL 15 4.513 -2.511 7.930 56 HA VAL 15 HA VAL 15 2.271 -2.245 6.073 57 HB VAL 15 HB VAL 15 2.699 -4.102 8.402 58 1HG1 VAL 15 1HG1 VAL 15 0.184 -3.556 6.807 59 2HG1 VAL 15 2HG1 VAL 15 0.441 -3.200 8.524 60 3HG1 VAL 15 3HG1 VAL 15 0.407 -4.879 7.952 61 1HG2 VAL 15 1HG2 VAL 15 3.626 -4.842 6.314 62 2HG2 VAL 15 2HG2 VAL 15 2.082 -4.469 5.532 63 3HG2 VAL 15 3HG2 VAL 15 2.152 -5.799 6.679 64 H LEU 16 H LEU 16 0.668 -0.916 6.747 65 HA LEU 16 HA LEU 16 0.889 0.017 9.486 66 1HB LEU 16 1HB LEU 16 1.587 1.762 7.882 67 2HB LEU 16 2HB LEU 16 -0.004 1.668 7.146 68 HG LEU 16 HG LEU 16 -0.764 2.023 9.636 69 1HD1 LEU 16 1HD1 LEU 16 1.405 2.034 10.599 70 2HD1 LEU 16 2HD1 LEU 16 0.652 3.637 10.751 71 3HD1 LEU 16 3HD1 LEU 16 1.882 3.360 9.532 72 1HD2 LEU 16 1HD2 LEU 16 -1.352 3.334 7.759 73 2HD2 LEU 16 2HD2 LEU 16 0.173 4.252 7.888 74 3HD2 LEU 16 3HD2 LEU 16 -1.048 4.300 9.205 75 H ILE 17 H ILE 17 -0.708 -0.942 10.405 76 HA ILE 17 HA ILE 17 -3.233 -1.230 8.943 77 HB ILE 17 HB ILE 17 -1.820 -3.078 10.162 78 1HG1 ILE 17 1HG1 ILE 17 -3.994 -3.477 9.023 79 2HG1 ILE 17 2HG1 ILE 17 -3.726 -4.541 10.403 80 1HG2 ILE 17 1HG2 ILE 17 -2.962 -3.604 12.388 81 2HG2 ILE 17 2HG2 ILE 17 -3.105 -1.828 12.452 82 3HG2 ILE 17 3HG2 ILE 17 -1.519 -2.624 12.220 83 1HD1 ILE 17 1HD1 ILE 17 -5.483 -2.106 10.300 84 2HD1 ILE 17 2HD1 ILE 17 -5.191 -3.097 11.732 85 3HD1 ILE 17 3HD1 ILE 17 -6.002 -3.799 10.325 86 H ARG 18 H ARG 18 -5.007 -0.161 9.634 87 HA ARG 18 HA ARG 18 -4.511 1.567 11.899 88 1HB ARG 18 1HB ARG 18 -5.915 2.227 9.334 89 2HB ARG 18 2HB ARG 18 -6.123 3.189 10.794 90 1HG ARG 18 1HG ARG 18 -3.713 3.569 10.893 91 2HG ARG 18 2HG ARG 18 -3.504 2.634 9.417 92 1HD ARG 18 1HD ARG 18 -3.463 5.059 9.111 93 2HD ARG 18 2HD ARG 18 -4.716 4.266 8.157 94 HE ARG 18 HE ARG 18 -6.281 4.966 9.997 95 1HH1 ARG 18 1HH1 ARG 18 -3.399 6.915 9.241 96 2HH1 ARG 18 2HH1 ARG 18 -4.094 8.361 9.827 97 1HH2 ARG 18 1HH2 ARG 18 -7.164 6.948 10.825 98 2HH2 ARG 18 2HH2 ARG 18 -6.267 8.380 10.779 99 H ARG 19 H ARG 19 -5.568 1.299 13.488 100 HA ARG 19 HA ARG 19 -8.180 0.004 13.349 101 1HB ARG 19 1HB ARG 19 -6.719 -1.540 14.307 102 2HB ARG 19 2HB ARG 19 -5.886 -0.310 15.243 103 1HG ARG 19 1HG ARG 19 -7.902 -0.007 16.589 104 2HG ARG 19 2HG ARG 19 -8.676 -1.298 15.681 105 1HD ARG 19 1HD ARG 19 -6.057 -1.819 17.012 106 2HD ARG 19 2HD ARG 19 -7.551 -1.768 17.953 107 HE ARG 19 HE ARG 19 -8.193 -3.331 16.006 108 1HH1 ARG 19 1HH1 ARG 19 -5.150 -3.326 17.697 109 2HH1 ARG 19 2HH1 ARG 19 -5.084 -4.973 18.046 110 1HH2 ARG 19 1HH2 ARG 19 -8.246 -5.652 16.603 111 2HH2 ARG 19 2HH2 ARG 19 -6.982 -6.372 17.452 112 HA PRO 20 HA PRO 20 -9.382 4.020 15.239 113 1HB PRO 20 1HB PRO 20 -12.003 2.610 15.292 114 2HB PRO 20 2HB PRO 20 -11.606 4.220 14.681 115 1HG PRO 20 1HG PRO 20 -12.074 2.234 12.988 116 2HG PRO 20 2HG PRO 20 -10.770 3.392 12.671 117 1HD PRO 20 1HD PRO 20 -10.604 0.603 13.744 118 2HD PRO 20 2HD PRO 20 -9.565 1.417 12.549 119 H ASP 21 H ASP 21 -10.159 0.742 16.459 120 HA ASP 21 HA ASP 21 -9.425 1.117 19.075 121 1HB ASP 21 1HB ASP 21 -11.475 1.282 20.313 122 2HB ASP 21 2HB ASP 21 -11.584 2.559 19.121 123 H LEU 22 H LEU 22 -10.498 -0.851 20.388 124 HA LEU 22 HA LEU 22 -9.563 -3.057 18.911 125 1HB LEU 22 1HB LEU 22 -10.912 -2.995 21.574 126 2HB LEU 22 2HB LEU 22 -10.109 -4.394 20.878 127 HG LEU 22 HG LEU 22 -8.861 -1.793 21.718 128 1HD1 LEU 22 1HD1 LEU 22 -8.509 -4.629 22.594 129 2HD1 LEU 22 2HD1 LEU 22 -9.330 -3.348 23.491 130 3HD1 LEU 22 3HD1 LEU 22 -7.580 -3.257 23.204 131 1HD2 LEU 22 1HD2 LEU 22 -7.891 -2.474 19.676 132 2HD2 LEU 22 2HD2 LEU 22 -7.613 -4.113 20.263 133 3HD2 LEU 22 3HD2 LEU 22 -6.716 -2.746 20.959 134 H ARG 23 H ARG 23 -12.642 -1.802 18.852 135 HA ARG 23 HA ARG 23 -14.015 -4.299 18.385 136 1HB ARG 23 1HB ARG 23 -14.836 -1.453 17.872 137 2HB ARG 23 2HB ARG 23 -15.860 -2.832 17.491 138 1HG ARG 23 1HG ARG 23 -16.019 -3.466 19.754 139 2HG ARG 23 2HG ARG 23 -14.751 -2.330 20.227 140 1HD ARG 23 1HD ARG 23 -17.415 -1.589 19.070 141 2HD ARG 23 2HD ARG 23 -16.983 -1.504 20.787 142 HE ARG 23 HE ARG 23 -15.093 -0.145 19.220 143 1HH1 ARG 23 1HH1 ARG 23 -18.387 0.302 20.522 144 2HH1 ARG 23 2HH1 ARG 23 -18.253 2.014 20.425 145 1HH2 ARG 23 1HH2 ARG 23 -15.021 2.074 19.071 146 2HH2 ARG 23 2HH2 ARG 23 -16.332 3.055 19.596 147 H TYR 24 H TYR 24 -11.932 -2.468 16.639 148 HA TYR 24 HA TYR 24 -12.757 -3.613 14.102 149 1HB TYR 24 1HB TYR 24 -11.064 -1.250 14.831 150 2HB TYR 24 2HB TYR 24 -10.926 -1.993 13.242 151 HD1 TYR 24 HD1 TYR 24 -12.527 -1.597 11.589 152 HD2 TYR 24 HD2 TYR 24 -13.240 -0.228 15.543 153 HE1 TYR 24 HE1 TYR 24 -14.418 -0.306 10.776 154 HE2 TYR 24 HE2 TYR 24 -15.155 1.080 14.759 155 HH TYR 24 HH TYR 24 -16.505 0.575 11.696 156 H GLN 25 H GLN 25 -11.837 -5.638 14.201 157 HA GLN 25 HA GLN 25 -9.223 -5.728 15.379 158 1HB GLN 25 1HB GLN 25 -9.268 -8.141 15.198 159 2HB GLN 25 2HB GLN 25 -10.672 -7.514 16.039 160 1HG GLN 25 1HG GLN 25 -12.080 -7.994 14.320 161 2HG GLN 25 2HG GLN 25 -10.761 -8.081 13.144 162 1HE2 GLN 25 1HE2 GLN 25 -10.376 -9.576 16.251 163 2HE2 GLN 25 2HE2 GLN 25 -10.469 -11.198 15.719 164 H LEU 26 H LEU 26 -7.601 -7.171 14.395 165 HA LEU 26 HA LEU 26 -6.432 -5.755 12.311 166 1HB LEU 26 1HB LEU 26 -5.807 -8.647 12.897 167 2HB LEU 26 2HB LEU 26 -4.749 -7.429 12.247 168 HG LEU 26 HG LEU 26 -3.912 -7.777 14.332 169 1HD1 LEU 26 1HD1 LEU 26 -4.340 -5.876 15.734 170 2HD1 LEU 26 2HD1 LEU 26 -5.761 -5.497 14.751 171 3HD1 LEU 26 3HD1 LEU 26 -4.146 -5.444 14.027 172 1HD2 LEU 26 1HD2 LEU 26 -5.621 -9.265 15.213 173 2HD2 LEU 26 2HD2 LEU 26 -6.700 -7.926 15.550 174 3HD2 LEU 26 3HD2 LEU 26 -5.174 -8.069 16.413 175 H GLY 27 H GLY 27 -7.591 -9.113 12.159 176 1HA GLY 27 1HA GLY 27 -8.878 -9.956 10.365 177 2HA GLY 27 2HA GLY 27 -8.320 -8.612 9.372 178 H PHE 28 H PHE 28 -6.107 -10.439 11.376 179 HA PHE 28 HA PHE 28 -5.425 -12.237 9.272 180 1HB PHE 28 1HB PHE 28 -3.105 -11.606 8.952 181 2HB PHE 28 2HB PHE 28 -4.062 -10.183 8.651 182 HD1 PHE 28 HD1 PHE 28 -1.508 -11.718 10.727 183 HD2 PHE 28 HD2 PHE 28 -4.000 -8.305 10.279 184 HE1 PHE 28 HE1 PHE 28 -0.079 -10.477 12.313 185 HE2 PHE 28 HE2 PHE 28 -2.572 -7.055 11.843 186 HZ PHE 28 HZ PHE 28 -0.616 -8.135 12.859 187 H SER 29 H SER 29 -3.607 -13.674 10.032 188 HA SER 29 HA SER 29 -3.669 -13.946 12.951 189 1HB SER 29 1HB SER 29 -4.018 -16.131 10.911 190 2HB SER 29 2HB SER 29 -3.986 -16.362 12.673 191 HG SER 29 HG SER 29 -5.705 -14.502 12.281 192 H VAL 30 H VAL 30 -1.770 -14.740 13.855 193 HA VAL 30 HA VAL 30 0.460 -15.059 12.013 194 HB VAL 30 HB VAL 30 0.076 -12.861 13.951 195 1HG1 VAL 30 1HG1 VAL 30 2.816 -14.077 13.569 196 2HG1 VAL 30 2HG1 VAL 30 1.924 -13.957 15.110 197 3HG1 VAL 30 3HG1 VAL 30 2.416 -12.491 14.234 198 1HG2 VAL 30 1HG2 VAL 30 0.133 -12.521 11.586 199 2HG2 VAL 30 2HG2 VAL 30 1.750 -13.233 11.523 200 3HG2 VAL 30 3HG2 VAL 30 1.499 -11.719 12.374 201 H GLN 31 H GLN 31 1.589 -16.717 12.346 202 HA GLN 31 HA GLN 31 1.780 -17.865 15.030 203 1HB GLN 31 1HB GLN 31 1.937 -20.108 13.970 204 2HB GLN 31 2HB GLN 31 0.398 -19.335 13.647 205 1HG GLN 31 1HG GLN 31 1.171 -18.725 11.413 206 2HG GLN 31 2HG GLN 31 2.723 -19.483 11.741 207 1HE2 GLN 31 1HE2 GLN 31 2.496 -20.929 10.087 208 2HE2 GLN 31 2HE2 GLN 31 1.403 -22.268 10.142 209 H ASN 32 H ASN 32 3.791 -18.212 15.753 210 HA ASN 32 HA ASN 32 6.019 -17.911 16.009 211 1HB ASN 32 1HB ASN 32 6.084 -18.733 13.102 212 2HB ASN 32 2HB ASN 32 7.531 -18.502 14.069 213 1HD2 ASN 32 1HD2 ASN 32 6.513 -20.810 12.723 214 2HD2 ASN 32 2HD2 ASN 32 6.314 -22.059 13.899 215 H GLY 33 H GLY 33 4.288 -15.816 14.286 216 1HA GLY 33 1HA GLY 33 4.878 -13.489 14.279 217 2HA GLY 33 2HA GLY 33 6.552 -13.960 13.957 218 H ILE 34 H ILE 34 4.802 -16.053 12.200 219 HA ILE 34 HA ILE 34 4.981 -14.356 9.851 220 HB ILE 34 HB ILE 34 4.903 -17.408 10.023 221 1HG1 ILE 34 1HG1 ILE 34 7.165 -17.222 8.856 222 2HG1 ILE 34 2HG1 ILE 34 7.129 -15.511 9.220 223 1HG2 ILE 34 1HG2 ILE 34 5.072 -15.633 7.614 224 2HG2 ILE 34 2HG2 ILE 34 3.709 -16.665 8.052 225 3HG2 ILE 34 3HG2 ILE 34 5.250 -17.390 7.577 226 1HD1 ILE 34 1HD1 ILE 34 8.533 -16.704 10.771 227 2HD1 ILE 34 2HD1 ILE 34 7.189 -17.764 11.218 228 3HD1 ILE 34 3HD1 ILE 34 7.131 -16.044 11.614 229 H ILE 35 H ILE 35 3.291 -13.810 8.781 230 HA ILE 35 HA ILE 35 0.676 -14.118 9.750 231 HB ILE 35 HB ILE 35 1.701 -13.090 7.099 232 1HG1 ILE 35 1HG1 ILE 35 0.771 -11.553 9.521 233 2HG1 ILE 35 2HG1 ILE 35 2.445 -12.044 9.310 234 1HG2 ILE 35 1HG2 ILE 35 -1.047 -12.831 8.384 235 2HG2 ILE 35 2HG2 ILE 35 -0.663 -13.687 6.891 236 3HG2 ILE 35 3HG2 ILE 35 -0.509 -11.937 6.958 237 1HD1 ILE 35 1HD1 ILE 35 1.923 -9.714 8.671 238 2HD1 ILE 35 2HD1 ILE 35 0.937 -10.386 7.341 239 3HD1 ILE 35 3HD1 ILE 35 2.668 -10.692 7.405 240 H CYS 36 H CYS 36 -0.489 -15.821 9.597 241 HA CYS 36 HA CYS 36 0.062 -17.954 7.724 242 1HB CYS 36 1HB CYS 36 -0.333 -18.529 10.040 243 2HB CYS 36 2HB CYS 36 -1.885 -17.700 10.021 244 HG CYS 36 HG CYS 36 -1.500 -20.172 7.788 245 H SER 37 H SER 37 -2.719 -15.925 8.611 246 HA SER 37 HA SER 37 -3.801 -16.343 5.954 247 1HB SER 37 1HB SER 37 -6.068 -16.630 7.083 248 2HB SER 37 2HB SER 37 -4.955 -17.987 7.230 249 HG SER 37 HG SER 37 -6.011 -16.352 9.135 250 H LEU 38 H LEU 38 -5.192 -14.670 5.277 251 HA LEU 38 HA LEU 38 -5.239 -12.263 6.935 252 1HB LEU 38 1HB LEU 38 -3.394 -12.044 5.392 253 2HB LEU 38 2HB LEU 38 -4.397 -12.541 4.052 254 HG LEU 38 HG LEU 38 -5.700 -10.445 4.286 255 1HD1 LEU 38 1HD1 LEU 38 -3.601 -9.752 6.319 256 2HD1 LEU 38 2HD1 LEU 38 -5.314 -10.032 6.641 257 3HD1 LEU 38 3HD1 LEU 38 -4.818 -8.655 5.677 258 1HD2 LEU 38 1HD2 LEU 38 -3.875 -10.571 2.700 259 2HD2 LEU 38 2HD2 LEU 38 -2.739 -10.132 3.985 260 3HD2 LEU 38 3HD2 LEU 38 -3.939 -8.966 3.446 261 H MET 39 H MET 39 -7.113 -11.154 6.773 262 HA MET 39 HA MET 39 -9.287 -12.294 5.272 263 1HB MET 39 1HB MET 39 -9.722 -11.463 7.527 264 2HB MET 39 2HB MET 39 -9.118 -9.874 7.079 265 1HG MET 39 1HG MET 39 -10.974 -9.617 5.504 266 2HG MET 39 2HG MET 39 -11.583 -11.205 5.972 267 1HE MET 39 1HE MET 39 -13.955 -10.074 6.459 268 2HE MET 39 2HE MET 39 -13.313 -8.482 6.044 269 3HE MET 39 3HE MET 39 -14.180 -8.716 7.562 270 H ARG 40 H ARG 40 -9.608 -11.792 3.298 271 HA ARG 40 HA ARG 40 -8.176 -9.689 2.000 272 1HB ARG 40 1HB ARG 40 -8.648 -11.945 1.011 273 2HB ARG 40 2HB ARG 40 -10.350 -11.515 0.958 274 1HG ARG 40 1HG ARG 40 -8.278 -9.905 -0.504 275 2HG ARG 40 2HG ARG 40 -8.951 -11.372 -1.199 276 1HD ARG 40 1HD ARG 40 -10.552 -8.978 -0.303 277 2HD ARG 40 2HD ARG 40 -10.069 -9.303 -1.969 278 HE ARG 40 HE ARG 40 -11.665 -11.286 -0.499 279 1HH1 ARG 40 1HH1 ARG 40 -11.410 -9.012 -3.231 280 2HH1 ARG 40 2HH1 ARG 40 -12.830 -9.550 -3.971 281 1HH2 ARG 40 1HH2 ARG 40 -13.581 -12.016 -1.519 282 2HH2 ARG 40 2HH2 ARG 40 -14.115 -11.300 -2.978 283 H GLY 41 H GLY 41 -8.901 -7.700 1.561 284 1HA GLY 41 1HA GLY 41 -10.406 -5.977 1.285 285 2HA GLY 41 2HA GLY 41 -11.718 -7.061 1.729 286 H GLY 42 H GLY 42 -9.498 -7.568 4.046 287 1HA GLY 42 1HA GLY 42 -10.971 -5.900 5.929 288 2HA GLY 42 2HA GLY 42 -9.790 -7.138 6.330 289 H ILE 43 H ILE 43 -9.572 -4.966 7.777 290 HA ILE 43 HA ILE 43 -8.083 -2.856 6.625 291 HB ILE 43 HB ILE 43 -7.272 -2.541 9.152 292 1HG1 ILE 43 1HG1 ILE 43 -9.932 -3.944 9.471 293 2HG1 ILE 43 2HG1 ILE 43 -8.371 -4.535 10.033 294 1HG2 ILE 43 1HG2 ILE 43 -9.929 -1.669 8.033 295 2HG2 ILE 43 2HG2 ILE 43 -8.359 -0.843 7.930 296 3HG2 ILE 43 3HG2 ILE 43 -9.172 -1.005 9.480 297 1HD1 ILE 43 1HD1 ILE 43 -9.782 -2.053 11.003 298 2HD1 ILE 43 2HD1 ILE 43 -8.212 -2.612 11.562 299 3HD1 ILE 43 3HD1 ILE 43 -9.654 -3.589 11.865 300 H ALA 44 H ALA 44 -7.122 -5.853 7.933 301 HA ALA 44 HA ALA 44 -4.405 -5.263 8.184 302 1HB ALA 44 1HB ALA 44 -5.765 -7.867 7.572 303 2HB ALA 44 2HB ALA 44 -5.438 -7.215 9.177 304 3HB ALA 44 3HB ALA 44 -4.095 -7.681 8.120 305 H GLU 45 H GLU 45 -6.279 -6.637 5.475 306 HA GLU 45 HA GLU 45 -4.042 -6.855 3.761 307 1HB GLU 45 1HB GLU 45 -6.067 -8.132 3.309 308 2HB GLU 45 2HB GLU 45 -6.970 -6.642 3.046 309 1HG GLU 45 1HG GLU 45 -5.568 -6.114 1.123 310 2HG GLU 45 2HG GLU 45 -4.641 -7.584 1.390 311 H ARG 46 H ARG 46 -6.472 -4.388 4.182 312 HA ARG 46 HA ARG 46 -5.490 -2.726 2.088 313 1HB ARG 46 1HB ARG 46 -7.294 -1.997 4.408 314 2HB ARG 46 2HB ARG 46 -7.111 -1.077 2.907 315 1HG ARG 46 1HG ARG 46 -7.968 -2.930 1.622 316 2HG ARG 46 2HG ARG 46 -8.075 -3.920 3.072 317 1HD ARG 46 1HD ARG 46 -10.243 -3.226 2.676 318 2HD ARG 46 2HD ARG 46 -9.652 -2.139 3.937 319 HE ARG 46 HE ARG 46 -9.918 -0.402 2.543 320 1HH1 ARG 46 1HH1 ARG 46 -9.806 -3.346 0.445 321 2HH1 ARG 46 2HH1 ARG 46 -10.590 -2.580 -0.847 322 1HH2 ARG 46 1HH2 ARG 46 -10.980 0.588 0.630 323 2HH2 ARG 46 2HH2 ARG 46 -11.190 -0.364 -0.770 324 H GLY 47 H GLY 47 -4.581 -3.297 5.310 325 1HA GLY 47 1HA GLY 47 -3.084 -0.887 5.720 326 2HA GLY 47 2HA GLY 47 -3.087 -2.319 6.738 327 H GLY 48 H GLY 48 -2.559 -3.965 4.217 328 1HA GLY 48 1HA GLY 48 -0.728 -4.015 2.634 329 2HA GLY 48 2HA GLY 48 0.248 -3.173 3.827 330 H VAL 49 H VAL 49 -1.614 -5.462 5.387 331 HA VAL 49 HA VAL 49 0.586 -7.102 6.102 332 HB VAL 49 HB VAL 49 -2.387 -7.465 6.313 333 1HG1 VAL 49 1HG1 VAL 49 -2.012 -9.198 8.010 334 2HG1 VAL 49 2HG1 VAL 49 -0.282 -8.965 7.851 335 3HG1 VAL 49 3HG1 VAL 49 -1.200 -9.659 6.503 336 1HG2 VAL 49 1HG2 VAL 49 -1.605 -5.576 7.596 337 2HG2 VAL 49 2HG2 VAL 49 -0.445 -6.613 8.444 338 3HG2 VAL 49 3HG2 VAL 49 -2.170 -6.845 8.669 339 H ARG 50 H ARG 50 1.135 -9.209 5.345 340 HA ARG 50 HA ARG 50 -0.316 -10.313 3.049 341 1HB ARG 50 1HB ARG 50 2.614 -9.579 3.049 342 2HB ARG 50 2HB ARG 50 1.874 -10.661 1.878 343 1HG ARG 50 1HG ARG 50 0.937 -7.882 2.340 344 2HG ARG 50 2HG ARG 50 2.205 -8.281 1.159 345 1HD ARG 50 1HD ARG 50 0.685 -9.588 -0.111 346 2HD ARG 50 2HD ARG 50 -0.522 -9.568 1.169 347 HE ARG 50 HE ARG 50 -0.640 -7.139 0.766 348 1HH1 ARG 50 1HH1 ARG 50 0.403 -9.232 -1.914 349 2HH1 ARG 50 2HH1 ARG 50 -0.395 -8.277 -3.090 350 1HH2 ARG 50 1HH2 ARG 50 -1.627 -5.869 -0.851 351 2HH2 ARG 50 2HH2 ARG 50 -1.526 -6.301 -2.491 352 H VAL 51 H VAL 51 -0.231 -12.308 2.843 353 HA VAL 51 HA VAL 51 0.460 -13.897 5.138 354 HB VAL 51 HB VAL 51 -0.758 -14.435 2.470 355 1HG1 VAL 51 1HG1 VAL 51 -0.354 -16.425 4.737 356 2HG1 VAL 51 2HG1 VAL 51 0.487 -16.474 3.186 357 3HG1 VAL 51 3HG1 VAL 51 -1.262 -16.750 3.255 358 1HG2 VAL 51 1HG2 VAL 51 -2.145 -13.282 4.022 359 2HG2 VAL 51 2HG2 VAL 51 -1.859 -14.530 5.243 360 3HG2 VAL 51 3HG2 VAL 51 -2.767 -14.917 3.778 361 H GLY 52 H GLY 52 2.115 -15.313 5.320 362 1HA GLY 52 1HA GLY 52 4.007 -16.516 4.640 363 2HA GLY 52 2HA GLY 52 3.874 -15.777 3.042 364 H HIS 53 H HIS 53 3.515 -13.553 5.449 365 HA HIS 53 HA HIS 53 6.287 -12.683 5.156 366 1HB HIS 53 1HB HIS 53 3.755 -11.171 5.607 367 2HB HIS 53 2HB HIS 53 5.284 -10.523 6.197 368 HD1 HIS 53 HD1 HIS 53 5.442 -8.558 4.561 369 HD2 HIS 53 HD2 HIS 53 4.945 -12.241 2.693 370 HE1 HIS 53 HE1 HIS 53 5.702 -8.110 2.131 371 HE2 HIS 53 HE2 HIS 53 4.935 -10.244 1.066 372 H ARG 54 H ARG 54 7.457 -12.104 6.824 373 HA ARG 54 HA ARG 54 6.715 -13.246 9.435 374 1HB ARG 54 1HB ARG 54 8.637 -14.186 8.319 375 2HB ARG 54 2HB ARG 54 9.353 -12.588 8.122 376 1HG ARG 54 1HG ARG 54 9.610 -12.486 10.571 377 2HG ARG 54 2HG ARG 54 8.962 -14.131 10.680 378 1HD ARG 54 1HD ARG 54 10.771 -14.913 9.179 379 2HD ARG 54 2HD ARG 54 11.436 -13.282 9.163 380 HE ARG 54 HE ARG 54 11.135 -14.291 11.798 381 1HH1 ARG 54 1HH1 ARG 54 13.395 -14.496 8.971 382 2HH1 ARG 54 2HH1 ARG 54 14.702 -14.885 9.930 383 1HH2 ARG 54 1HH2 ARG 54 12.874 -14.865 13.013 384 2HH2 ARG 54 2HH2 ARG 54 14.416 -15.203 12.365 385 H ILE 55 H ILE 55 6.046 -11.695 10.789 386 HA ILE 55 HA ILE 55 6.688 -8.946 10.310 387 HB ILE 55 HB ILE 55 5.372 -10.111 12.767 388 1HG1 ILE 55 1HG1 ILE 55 4.112 -9.158 10.181 389 2HG1 ILE 55 2HG1 ILE 55 4.085 -10.795 10.828 390 1HG2 ILE 55 1HG2 ILE 55 6.180 -7.832 13.044 391 2HG2 ILE 55 2HG2 ILE 55 4.416 -7.834 12.960 392 3HG2 ILE 55 3HG2 ILE 55 5.362 -7.344 11.566 393 1HD1 ILE 55 1HD1 ILE 55 2.891 -8.379 12.068 394 2HD1 ILE 55 2HD1 ILE 55 2.826 -10.021 12.725 395 3HD1 ILE 55 3HD1 ILE 55 1.989 -9.635 11.199 396 H ILE 56 H ILE 56 8.317 -7.885 11.054 397 HA ILE 56 HA ILE 56 9.788 -9.062 13.204 398 HB ILE 56 HB ILE 56 11.883 -8.058 12.359 399 1HG1 ILE 56 1HG1 ILE 56 11.681 -7.267 9.830 400 2HG1 ILE 56 2HG1 ILE 56 10.065 -6.807 10.335 401 1HG2 ILE 56 1HG2 ILE 56 10.387 -9.582 10.248 402 2HG2 ILE 56 2HG2 ILE 56 11.265 -10.275 11.601 403 3HG2 ILE 56 3HG2 ILE 56 12.136 -9.392 10.338 404 1HD1 ILE 56 1HD1 ILE 56 12.653 -5.812 11.511 405 2HD1 ILE 56 2HD1 ILE 56 11.030 -5.375 12.065 406 3HD1 ILE 56 3HD1 ILE 56 11.552 -4.948 10.432 407 H GLU 57 H GLU 57 7.701 -6.580 12.766 408 HA GLU 57 HA GLU 57 8.390 -5.395 15.306 409 1HB GLU 57 1HB GLU 57 9.916 -4.073 13.757 410 2HB GLU 57 2HB GLU 57 8.469 -3.560 12.887 411 1HG GLU 57 1HG GLU 57 7.679 -2.740 15.212 412 2HG GLU 57 2HG GLU 57 9.374 -2.854 15.639 413 H ILE 58 H ILE 58 6.750 -4.382 16.195 414 HA ILE 58 HA ILE 58 4.381 -3.779 14.612 415 HB ILE 58 HB ILE 58 4.378 -5.490 17.088 416 1HG1 ILE 58 1HG1 ILE 58 3.256 -6.204 14.388 417 2HG1 ILE 58 2HG1 ILE 58 4.912 -6.586 14.854 418 1HG2 ILE 58 1HG2 ILE 58 2.080 -4.350 15.456 419 2HG2 ILE 58 2HG2 ILE 58 2.506 -3.891 17.094 420 3HG2 ILE 58 3HG2 ILE 58 1.881 -5.520 16.768 421 1HD1 ILE 58 1HD1 ILE 58 2.401 -7.543 16.194 422 2HD1 ILE 58 2HD1 ILE 58 4.067 -7.798 16.733 423 3HD1 ILE 58 3HD1 ILE 58 3.542 -8.488 15.199 424 H ASN 59 H ASN 59 4.036 -1.766 15.098 425 HA ASN 59 HA ASN 59 3.387 0.088 16.227 426 1HB ASN 59 1HB ASN 59 1.961 -1.772 17.312 427 2HB ASN 59 2HB ASN 59 3.060 -1.648 18.675 428 1HD2 ASN 59 1HD2 ASN 59 0.583 -0.077 16.841 429 2HD2 ASN 59 2HD2 ASN 59 0.185 1.134 17.993 430 H GLY 60 H GLY 60 6.273 -0.769 16.311 431 1HA GLY 60 1HA GLY 60 7.892 0.872 17.025 432 2HA GLY 60 2HA GLY 60 6.990 1.018 18.522 433 H GLN 61 H GLN 61 6.998 -2.208 18.084 434 HA GLN 61 HA GLN 61 9.674 -2.486 19.224 435 1HB GLN 61 1HB GLN 61 8.906 -4.168 20.818 436 2HB GLN 61 2HB GLN 61 8.142 -2.621 21.114 437 1HG GLN 61 1HG GLN 61 6.083 -3.408 20.149 438 2HG GLN 61 2HG GLN 61 6.856 -4.921 19.668 439 1HE2 GLN 61 1HE2 GLN 61 7.354 -6.452 21.257 440 2HE2 GLN 61 2HE2 GLN 61 6.661 -6.392 22.835 441 H SER 62 H SER 62 10.875 -4.041 18.603 442 HA SER 62 HA SER 62 10.057 -5.438 16.257 443 1HB SER 62 1HB SER 62 12.421 -4.602 16.685 444 2HB SER 62 2HB SER 62 12.553 -5.822 17.949 445 HG SER 62 HG SER 62 11.820 -6.477 15.311 446 H VAL 63 H VAL 63 8.928 -7.323 16.328 447 HA VAL 63 HA VAL 63 8.783 -8.656 18.916 448 HB VAL 63 HB VAL 63 6.589 -9.396 18.174 449 1HG1 VAL 63 1HG1 VAL 63 7.001 -6.399 17.870 450 2HG1 VAL 63 2HG1 VAL 63 6.782 -7.258 19.378 451 3HG1 VAL 63 3HG1 VAL 63 5.455 -7.184 18.217 452 1HG2 VAL 63 1HG2 VAL 63 7.163 -9.484 15.774 453 2HG2 VAL 63 2HG2 VAL 63 7.073 -7.716 15.705 454 3HG2 VAL 63 3HG2 VAL 63 5.637 -8.672 16.081 455 H VAL 64 H VAL 64 10.715 -9.022 16.669 456 HA VAL 64 HA VAL 64 9.883 -11.486 15.449 457 HB VAL 64 HB VAL 64 11.274 -9.596 14.400 458 1HG1 VAL 64 1HG1 VAL 64 13.484 -11.018 15.777 459 2HG1 VAL 64 2HG1 VAL 64 12.939 -9.356 16.017 460 3HG1 VAL 64 3HG1 VAL 64 13.675 -9.827 14.480 461 1HG2 VAL 64 1HG2 VAL 64 10.742 -11.455 13.183 462 2HG2 VAL 64 2HG2 VAL 64 11.902 -12.495 14.034 463 3HG2 VAL 64 3HG2 VAL 64 12.476 -11.211 12.941 464 H ALA 65 H ALA 65 11.574 -10.520 18.203 465 HA ALA 65 HA ALA 65 12.352 -13.302 18.723 466 1HB ALA 65 1HB ALA 65 13.981 -12.373 20.305 467 2HB ALA 65 2HB ALA 65 13.412 -10.741 19.905 468 3HB ALA 65 3HB ALA 65 14.206 -11.726 18.674 469 H THR 66 H THR 66 9.760 -11.557 19.126 470 HA THR 66 HA THR 66 9.363 -11.729 21.943 471 HB THR 66 HB THR 66 7.773 -10.707 19.570 472 HG1 THR 66 HG1 THR 66 9.096 -9.328 21.663 473 1HG2 THR 66 1HG2 THR 66 7.164 -10.366 22.516 474 2HG2 THR 66 2HG2 THR 66 6.275 -11.395 21.389 475 3HG2 THR 66 3HG2 THR 66 6.285 -9.647 21.156 476 HA PRO 67 HA PRO 67 7.561 -15.808 21.385 477 1HB PRO 67 1HB PRO 67 5.747 -15.584 23.511 478 2HB PRO 67 2HB PRO 67 7.382 -16.239 23.610 479 1HG PRO 67 1HG PRO 67 6.376 -13.552 24.371 480 2HG PRO 67 2HG PRO 67 7.704 -14.494 25.056 481 1HD PRO 67 1HD PRO 67 8.091 -12.364 23.456 482 2HD PRO 67 2HD PRO 67 9.215 -13.737 23.501 483 H HIS 68 H HIS 68 5.727 -16.683 20.588 484 HA HIS 68 HA HIS 68 4.151 -15.261 18.830 485 1HB HIS 68 1HB HIS 68 4.235 -17.534 18.389 486 2HB HIS 68 2HB HIS 68 3.923 -17.972 20.056 487 HD1 HIS 68 HD1 HIS 68 1.992 -16.774 16.945 488 HD2 HIS 68 HD2 HIS 68 1.300 -18.557 20.644 489 HE1 HIS 68 HE1 HIS 68 -0.353 -17.514 16.904 490 HE2 HIS 68 HE2 HIS 68 -0.822 -18.314 19.223 491 H GLU 69 H GLU 69 3.185 -16.377 22.023 492 HA GLU 69 HA GLU 69 0.564 -15.426 21.952 493 1HB GLU 69 1HB GLU 69 1.581 -17.071 23.515 494 2HB GLU 69 2HB GLU 69 2.332 -15.704 24.339 495 1HG GLU 69 1HG GLU 69 0.117 -14.826 24.881 496 2HG GLU 69 2HG GLU 69 -0.609 -16.199 24.038 497 H LYS 70 H LYS 70 3.579 -13.848 23.022 498 HA LYS 70 HA LYS 70 2.314 -11.537 23.987 499 1HB LYS 70 1HB LYS 70 5.079 -12.250 23.355 500 2HB LYS 70 2HB LYS 70 4.723 -10.609 22.987 501 1HG LYS 70 1HG LYS 70 3.640 -10.524 25.350 502 2HG LYS 70 2HG LYS 70 4.642 -11.955 25.637 503 1HD LYS 70 1HD LYS 70 6.610 -10.692 24.914 504 2HD LYS 70 2HD LYS 70 5.571 -9.291 24.643 505 1HE LYS 70 1HE LYS 70 6.031 -10.653 27.280 506 2HE LYS 70 2HE LYS 70 6.750 -9.124 26.740 507 1HZ LYS 70 1HZ LYS 70 3.833 -9.596 27.230 508 2HZ LYS 70 2HZ LYS 70 4.535 -8.131 26.708 509 3HZ LYS 70 3HZ LYS 70 4.904 -8.735 28.209 510 H ILE 71 H ILE 71 3.748 -12.284 20.891 511 HA ILE 71 HA ILE 71 3.334 -9.912 19.542 512 HB ILE 71 HB ILE 71 2.982 -12.703 18.386 513 1HG1 ILE 71 1HG1 ILE 71 5.462 -10.983 18.611 514 2HG1 ILE 71 2HG1 ILE 71 5.137 -12.443 19.526 515 1HG2 ILE 71 1HG2 ILE 71 3.726 -10.101 17.055 516 2HG2 ILE 71 2HG2 ILE 71 2.162 -10.910 16.893 517 3HG2 ILE 71 3HG2 ILE 71 3.630 -11.666 16.252 518 1HD1 ILE 71 1HD1 ILE 71 5.514 -12.278 16.544 519 2HD1 ILE 71 2HD1 ILE 71 5.206 -13.755 17.462 520 3HD1 ILE 71 3HD1 ILE 71 6.701 -12.846 17.717 521 H VAL 72 H VAL 72 1.097 -12.602 20.003 522 HA VAL 72 HA VAL 72 -1.011 -11.407 18.514 523 HB VAL 72 HB VAL 72 -1.063 -13.681 20.522 524 1HG1 VAL 72 1HG1 VAL 72 -3.287 -12.683 20.321 525 2HG1 VAL 72 2HG1 VAL 72 -3.232 -14.283 19.586 526 3HG1 VAL 72 3HG1 VAL 72 -3.211 -12.841 18.562 527 1HG2 VAL 72 1HG2 VAL 72 0.286 -14.148 18.572 528 2HG2 VAL 72 2HG2 VAL 72 -1.036 -13.658 17.511 529 3HG2 VAL 72 3HG2 VAL 72 -1.199 -15.101 18.516 530 H HIS 73 H HIS 73 -0.049 -11.325 21.887 531 HA HIS 73 HA HIS 73 -2.541 -10.343 22.893 532 1HB HIS 73 1HB HIS 73 -0.882 -11.547 24.321 533 2HB HIS 73 2HB HIS 73 0.234 -10.203 24.128 534 HD1 HIS 73 HD1 HIS 73 -2.709 -11.325 26.059 535 HD2 HIS 73 HD2 HIS 73 -0.499 -7.848 25.567 536 HE1 HIS 73 HE1 HIS 73 -3.392 -9.807 27.956 537 HE2 HIS 73 HE2 HIS 73 -1.696 -7.951 27.818 538 H ILE 74 H ILE 74 0.522 -8.974 21.938 539 HA ILE 74 HA ILE 74 0.007 -6.334 22.596 540 HB ILE 74 HB ILE 74 1.906 -7.661 20.674 541 1HG1 ILE 74 1HG1 ILE 74 2.581 -6.243 23.224 542 2HG1 ILE 74 2HG1 ILE 74 1.916 -7.873 23.273 543 1HG2 ILE 74 1HG2 ILE 74 1.833 -4.762 21.533 544 2HG2 ILE 74 2HG2 ILE 74 1.440 -5.360 19.928 545 3HG2 ILE 74 3HG2 ILE 74 3.092 -5.517 20.541 546 1HD1 ILE 74 1HD1 ILE 74 4.394 -7.039 21.807 547 2HD1 ILE 74 2HD1 ILE 74 3.655 -8.658 21.923 548 3HD1 ILE 74 3HD1 ILE 74 4.316 -7.895 23.374 549 H LEU 75 H LEU 75 -0.209 -8.120 19.511 550 HA LEU 75 HA LEU 75 -1.204 -6.097 17.887 551 1HB LEU 75 1HB LEU 75 -1.585 -9.063 17.817 552 2HB LEU 75 2HB LEU 75 -2.365 -8.021 16.642 553 HG LEU 75 HG LEU 75 0.609 -8.182 17.079 554 1HD1 LEU 75 1HD1 LEU 75 -1.122 -9.397 14.922 555 2HD1 LEU 75 2HD1 LEU 75 -0.278 -10.286 16.187 556 3HD1 LEU 75 3HD1 LEU 75 0.641 -9.410 14.959 557 1HD2 LEU 75 1HD2 LEU 75 0.693 -6.920 14.960 558 2HD2 LEU 75 2HD2 LEU 75 -0.170 -6.022 16.207 559 3HD2 LEU 75 3HD2 LEU 75 -1.065 -6.853 14.945 560 H SER 76 H SER 76 -3.051 -8.480 19.707 561 HA SER 76 HA SER 76 -5.539 -7.608 18.890 562 1HB SER 76 1HB SER 76 -5.060 -9.809 19.998 563 2HB SER 76 2HB SER 76 -4.943 -8.959 21.535 564 HG SER 76 HG SER 76 -7.089 -8.378 21.370 565 H ASN 77 H ASN 77 -3.438 -6.143 21.224 566 HA ASN 77 HA ASN 77 -5.704 -4.539 22.206 567 1HB ASN 77 1HB ASN 77 -3.130 -5.281 23.583 568 2HB ASN 77 2HB ASN 77 -4.207 -4.037 24.198 569 1HD2 ASN 77 1HD2 ASN 77 -3.780 -7.428 23.630 570 2HD2 ASN 77 2HD2 ASN 77 -5.119 -7.988 24.575 571 H ALA 78 H ALA 78 -3.369 -4.163 19.970 572 HA ALA 78 HA ALA 78 -2.693 -1.437 20.789 573 1HB ALA 78 1HB ALA 78 -1.003 -1.491 18.960 574 2HB ALA 78 2HB ALA 78 -1.546 -3.103 18.501 575 3HB ALA 78 3HB ALA 78 -0.800 -2.837 20.069 576 H VAL 79 H VAL 79 -3.700 0.325 19.887 577 HA VAL 79 HA VAL 79 -5.211 -0.191 17.410 578 HB VAL 79 HB VAL 79 -7.067 0.934 18.109 579 1HG1 VAL 79 1HG1 VAL 79 -6.097 0.150 20.781 580 2HG1 VAL 79 2HG1 VAL 79 -6.873 -0.849 19.557 581 3HG1 VAL 79 3HG1 VAL 79 -7.770 0.481 20.288 582 1HG2 VAL 79 1HG2 VAL 79 -6.079 3.072 18.427 583 2HG2 VAL 79 2HG2 VAL 79 -5.527 2.645 20.065 584 3HG2 VAL 79 3HG2 VAL 79 -7.270 2.718 19.669 585 H GLY 80 H GLY 80 -5.665 2.106 16.284 586 1HA GLY 80 1HA GLY 80 -4.874 4.253 15.785 587 2HA GLY 80 2HA GLY 80 -3.358 3.880 16.603 588 H GLU 81 H GLU 81 -2.292 4.632 14.736 589 HA GLU 81 HA GLU 81 -2.440 2.959 12.360 590 1HB GLU 81 1HB GLU 81 -0.391 5.144 12.889 591 2HB GLU 81 2HB GLU 81 -0.869 4.444 11.356 592 1HG GLU 81 1HG GLU 81 -1.767 6.522 11.281 593 2HG GLU 81 2HG GLU 81 -3.133 5.514 11.752 594 H ILE 82 H ILE 82 -1.365 1.019 12.454 595 HA ILE 82 HA ILE 82 0.706 0.847 14.532 596 HB ILE 82 HB ILE 82 -1.074 -1.206 13.260 597 1HG1 ILE 82 1HG1 ILE 82 -1.186 -0.159 16.090 598 2HG1 ILE 82 2HG1 ILE 82 -2.170 0.478 14.781 599 1HG2 ILE 82 1HG2 ILE 82 -0.233 -2.723 15.042 600 2HG2 ILE 82 2HG2 ILE 82 0.891 -1.457 15.553 601 3HG2 ILE 82 3HG2 ILE 82 1.056 -2.191 13.959 602 1HD1 ILE 82 1HD1 ILE 82 -2.219 -2.366 15.780 603 2HD1 ILE 82 2HD1 ILE 82 -3.268 -1.667 14.532 604 3HD1 ILE 82 3HD1 ILE 82 -3.373 -1.101 16.185 605 H HIS 83 H HIS 83 2.641 0.830 13.790 606 HA HIS 83 HA HIS 83 3.228 0.229 10.995 607 1HB HIS 83 1HB HIS 83 5.257 0.661 13.199 608 2HB HIS 83 2HB HIS 83 5.507 0.791 11.472 609 HD1 HIS 83 HD1 HIS 83 5.637 2.777 14.175 610 HD2 HIS 83 HD2 HIS 83 3.573 3.143 10.614 611 HE1 HIS 83 HE1 HIS 83 5.103 5.228 13.957 612 HE2 HIS 83 HE2 HIS 83 4.137 5.455 11.678 613 H MET 84 H MET 84 3.714 -1.754 10.403 614 HA MET 84 HA MET 84 5.133 -3.381 12.357 615 1HB MET 84 1HB MET 84 3.280 -4.393 10.236 616 2HB MET 84 2HB MET 84 4.190 -5.377 11.361 617 1HG MET 84 1HG MET 84 2.853 -4.367 13.199 618 2HG MET 84 2HG MET 84 1.850 -3.578 11.968 619 1HE MET 84 1HE MET 84 2.552 -6.245 9.940 620 2HE MET 84 2HE MET 84 1.178 -5.174 9.800 621 3HE MET 84 3HE MET 84 0.926 -6.937 9.953 622 H LYS 85 H LYS 85 6.641 -4.741 11.359 623 HA LYS 85 HA LYS 85 7.388 -3.836 8.668 624 1HB LYS 85 1HB LYS 85 9.209 -4.653 10.943 625 2HB LYS 85 2HB LYS 85 9.720 -4.253 9.313 626 1HG LYS 85 1HG LYS 85 8.284 -2.358 11.041 627 2HG LYS 85 2HG LYS 85 10.054 -2.528 11.075 628 1HD LYS 85 1HD LYS 85 9.900 -2.154 8.548 629 2HD LYS 85 2HD LYS 85 8.247 -1.612 8.857 630 1HE LYS 85 1HE LYS 85 9.157 -0.026 10.517 631 2HE LYS 85 2HE LYS 85 10.755 -0.618 10.016 632 1HZ LYS 85 1HZ LYS 85 8.983 0.434 7.931 633 2HZ LYS 85 2HZ LYS 85 10.696 0.548 8.072 634 3HZ LYS 85 3HZ LYS 85 9.694 1.524 8.990 635 H THR 86 H THR 86 7.238 -5.436 7.369 636 HA THR 86 HA THR 86 7.490 -8.123 8.513 637 HB THR 86 HB THR 86 5.867 -8.968 6.950 638 HG1 THR 86 HG1 THR 86 5.846 -6.293 5.969 639 1HG2 THR 86 1HG2 THR 86 4.736 -6.472 8.212 640 2HG2 THR 86 2HG2 THR 86 5.111 -7.934 9.083 641 3HG2 THR 86 3HG2 THR 86 3.842 -7.955 7.839 642 H MET 87 H MET 87 8.650 -9.648 7.402 643 HA MET 87 HA MET 87 10.056 -8.658 5.022 644 1HB MET 87 1HB MET 87 10.896 -10.865 6.959 645 2HB MET 87 2HB MET 87 11.832 -10.291 5.590 646 1HG MET 87 1HG MET 87 11.901 -8.058 6.745 647 2HG MET 87 2HG MET 87 11.253 -8.876 8.165 648 1HE MET 87 1HE MET 87 14.182 -11.574 8.734 649 2HE MET 87 2HE MET 87 12.839 -11.794 7.615 650 3HE MET 87 3HE MET 87 12.549 -11.114 9.214 651 HA PRO 88 HA PRO 88 7.888 -11.991 2.934 652 1HB PRO 88 1HB PRO 88 9.702 -13.026 1.216 653 2HB PRO 88 2HB PRO 88 9.028 -11.412 0.984 654 1HG PRO 88 1HG PRO 88 11.643 -12.211 2.207 655 2HG PRO 88 2HG PRO 88 11.315 -10.938 1.017 656 1HD PRO 88 1HD PRO 88 11.640 -10.402 3.622 657 2HD PRO 88 2HD PRO 88 10.513 -9.481 2.613 658 H ALA 89 H ALA 89 9.392 -12.550 5.367 659 HA ALA 89 HA ALA 89 9.850 -14.167 6.836 660 1HB ALA 89 1HB ALA 89 8.592 -16.070 4.879 661 2HB ALA 89 2HB ALA 89 7.747 -15.032 6.040 662 3HB ALA 89 3HB ALA 89 8.820 -16.309 6.627 663 H ALA 90 H ALA 90 11.719 -13.438 4.834 664 HA ALA 90 HA ALA 90 13.438 -15.782 4.896 665 1HB ALA 90 1HB ALA 90 13.254 -14.652 2.725 666 2HB ALA 90 2HB ALA 90 14.879 -14.453 3.376 667 3HB ALA 90 3HB ALA 90 13.728 -13.122 3.464 Start of MODEL 9 1 H GLU 7 1H GLU 7 17.203 -0.131 6.901 2 HA GLU 7 HA GLU 7 16.253 -0.735 9.648 3 1HB GLU 7 1HB GLU 7 15.436 1.466 8.652 4 2HB GLU 7 2HB GLU 7 14.680 0.525 7.379 5 1HG GLU 7 1HG GLU 7 13.074 1.184 9.104 6 2HG GLU 7 2HG GLU 7 13.245 -0.571 9.023 7 H THR 8 H THR 8 17.465 -2.674 7.925 8 HA THR 8 HA THR 8 15.133 -4.279 7.434 9 HB THR 8 HB THR 8 15.495 -3.148 5.267 10 HG1 THR 8 HG1 THR 8 14.977 -4.852 4.317 11 1HG2 THR 8 1HG2 THR 8 18.205 -4.491 5.304 12 2HG2 THR 8 2HG2 THR 8 17.910 -2.753 5.393 13 3HG2 THR 8 3HG2 THR 8 17.503 -3.643 3.925 14 H MET 9 H MET 9 15.536 -6.463 7.527 15 HA MET 9 HA MET 9 18.302 -7.248 8.120 16 1HB MET 9 1HB MET 9 15.732 -8.553 9.054 17 2HB MET 9 2HB MET 9 17.333 -9.212 9.333 18 1HG MET 9 1HG MET 9 17.882 -7.154 10.633 19 2HG MET 9 2HG MET 9 16.204 -6.651 10.444 20 1HE MET 9 1HE MET 9 14.728 -9.539 10.670 21 2HE MET 9 2HE MET 9 14.129 -8.076 11.448 22 3HE MET 9 3HE MET 9 14.336 -9.553 12.387 23 H GLY 10 H GLY 10 16.273 -7.076 5.690 24 1HA GLY 10 1HA GLY 10 17.218 -8.352 3.754 25 2HA GLY 10 2HA GLY 10 16.794 -9.786 4.696 26 H ASN 11 H ASN 11 15.639 -7.017 2.991 27 HA ASN 11 HA ASN 11 13.749 -6.461 1.964 28 1HB ASN 11 1HB ASN 11 13.312 -9.462 1.900 29 2HB ASN 11 2HB ASN 11 12.244 -8.325 1.098 30 1HD2 ASN 11 1HD2 ASN 11 12.759 -9.332 -0.904 31 2HD2 ASN 11 2HD2 ASN 11 14.257 -8.999 -1.698 32 H VAL 12 H VAL 12 12.886 -5.244 3.436 33 HA VAL 12 HA VAL 12 10.903 -6.452 5.159 34 HB VAL 12 HB VAL 12 12.610 -3.997 5.645 35 1HG1 VAL 12 1HG1 VAL 12 10.271 -5.082 7.230 36 2HG1 VAL 12 2HG1 VAL 12 10.316 -3.543 6.366 37 3HG1 VAL 12 3HG1 VAL 12 11.360 -3.805 7.774 38 1HG2 VAL 12 1HG2 VAL 12 13.213 -5.153 7.695 39 2HG2 VAL 12 2HG2 VAL 12 13.693 -6.077 6.250 40 3HG2 VAL 12 3HG2 VAL 12 12.244 -6.532 7.177 41 H THR 13 H THR 13 9.059 -5.863 4.801 42 HA THR 13 HA THR 13 8.356 -3.503 3.190 43 HB THR 13 HB THR 13 7.331 -6.287 3.460 44 HG1 THR 13 HG1 THR 13 8.627 -4.862 1.504 45 1HG2 THR 13 1HG2 THR 13 6.003 -4.008 1.974 46 2HG2 THR 13 2HG2 THR 13 5.414 -4.786 3.446 47 3HG2 THR 13 3HG2 THR 13 5.469 -5.698 1.928 48 H THR 14 H THR 14 7.515 -2.062 4.348 49 HA THR 14 HA THR 14 6.677 -2.619 7.017 50 HB THR 14 HB THR 14 6.545 -0.070 5.500 51 HG1 THR 14 HG1 THR 14 8.632 -0.646 5.350 52 1HG2 THR 14 1HG2 THR 14 6.742 -0.736 8.455 53 2HG2 THR 14 2HG2 THR 14 5.384 0.021 7.639 54 3HG2 THR 14 3HG2 THR 14 6.906 0.904 7.827 55 H VAL 15 H VAL 15 4.714 -2.542 7.734 56 HA VAL 15 HA VAL 15 2.472 -2.139 5.890 57 HB VAL 15 HB VAL 15 2.829 -4.052 8.183 58 1HG1 VAL 15 1HG1 VAL 15 0.335 -3.439 6.574 59 2HG1 VAL 15 2HG1 VAL 15 0.595 -3.073 8.285 60 3HG1 VAL 15 3HG1 VAL 15 0.518 -4.758 7.735 61 1HG2 VAL 15 1HG2 VAL 15 3.756 -4.841 6.145 62 2HG2 VAL 15 2HG2 VAL 15 2.284 -4.344 5.289 63 3HG2 VAL 15 3HG2 VAL 15 2.206 -5.705 6.417 64 H LEU 16 H LEU 16 0.934 -0.769 6.612 65 HA LEU 16 HA LEU 16 1.232 0.081 9.369 66 1HB LEU 16 1HB LEU 16 1.863 1.850 7.768 67 2HB LEU 16 2HB LEU 16 0.246 1.759 7.085 68 HG LEU 16 HG LEU 16 -0.613 2.233 9.415 69 1HD1 LEU 16 1HD1 LEU 16 2.243 3.048 9.810 70 2HD1 LEU 16 2HD1 LEU 16 1.372 1.782 10.678 71 3HD1 LEU 16 3HD1 LEU 16 0.901 3.468 10.865 72 1HD2 LEU 16 1HD2 LEU 16 -0.365 4.536 9.195 73 2HD2 LEU 16 2HD2 LEU 16 -0.629 3.751 7.604 74 3HD2 LEU 16 3HD2 LEU 16 0.995 4.326 8.059 75 H ILE 17 H ILE 17 -0.381 -0.573 10.469 76 HA ILE 17 HA ILE 17 -2.923 -1.252 9.147 77 HB ILE 17 HB ILE 17 -1.344 -2.376 11.336 78 1HG1 ILE 17 1HG1 ILE 17 -2.355 -3.613 9.415 79 2HG1 ILE 17 2HG1 ILE 17 -2.682 -4.332 10.990 80 1HG2 ILE 17 1HG2 ILE 17 -2.814 -1.076 12.791 81 2HG2 ILE 17 2HG2 ILE 17 -3.111 -2.822 12.958 82 3HG2 ILE 17 3HG2 ILE 17 -4.215 -1.815 12.010 83 1HD1 ILE 17 1HD1 ILE 17 -4.575 -2.680 9.329 84 2HD1 ILE 17 2HD1 ILE 17 -4.887 -3.198 10.972 85 3HD1 ILE 17 3HD1 ILE 17 -4.705 -4.401 9.708 86 H ARG 18 H ARG 18 -4.687 -0.224 9.584 87 HA ARG 18 HA ARG 18 -4.538 1.967 11.494 88 1HB ARG 18 1HB ARG 18 -5.973 1.728 8.853 89 2HB ARG 18 2HB ARG 18 -6.609 2.788 10.101 90 1HG ARG 18 1HG ARG 18 -5.308 4.074 8.558 91 2HG ARG 18 2HG ARG 18 -4.472 4.019 10.100 92 1HD ARG 18 1HD ARG 18 -2.836 3.772 8.388 93 2HD ARG 18 2HD ARG 18 -3.039 2.200 9.149 94 HE ARG 18 HE ARG 18 -4.425 1.587 7.202 95 1HH1 ARG 18 1HH1 ARG 18 -2.185 4.328 6.817 96 2HH1 ARG 18 2HH1 ARG 18 -1.917 4.035 5.160 97 1HH2 ARG 18 1HH2 ARG 18 -4.016 1.230 4.866 98 2HH2 ARG 18 2HH2 ARG 18 -3.024 2.328 4.048 99 H ARG 19 H ARG 19 -5.328 1.132 13.240 100 HA ARG 19 HA ARG 19 -7.676 -0.577 12.994 101 1HB ARG 19 1HB ARG 19 -5.788 -1.640 14.053 102 2HB ARG 19 2HB ARG 19 -5.673 -0.328 15.215 103 1HG ARG 19 1HG ARG 19 -7.738 -0.922 16.201 104 2HG ARG 19 2HG ARG 19 -8.063 -2.136 14.955 105 1HD ARG 19 1HD ARG 19 -6.016 -3.339 15.729 106 2HD ARG 19 2HD ARG 19 -5.893 -2.198 17.066 107 HE ARG 19 HE ARG 19 -8.423 -3.427 16.753 108 1HH1 ARG 19 1HH1 ARG 19 -5.355 -3.575 18.471 109 2HH1 ARG 19 2HH1 ARG 19 -5.868 -4.775 19.559 110 1HH2 ARG 19 1HH2 ARG 19 -9.108 -5.125 18.212 111 2HH2 ARG 19 2HH2 ARG 19 -8.066 -5.719 19.402 112 HA PRO 20 HA PRO 20 -9.849 3.145 14.377 113 1HB PRO 20 1HB PRO 20 -11.980 1.077 14.641 114 2HB PRO 20 2HB PRO 20 -12.061 2.671 13.883 115 1HG PRO 20 1HG PRO 20 -11.906 0.505 12.376 116 2HG PRO 20 2HG PRO 20 -10.981 1.957 11.952 117 1HD PRO 20 1HD PRO 20 -10.049 -0.596 13.200 118 2HD PRO 20 2HD PRO 20 -9.241 0.448 12.013 119 H ASP 21 H ASP 21 -10.599 0.052 16.023 120 HA ASP 21 HA ASP 21 -9.821 1.111 18.528 121 1HB ASP 21 1HB ASP 21 -11.957 1.045 19.674 122 2HB ASP 21 2HB ASP 21 -12.095 2.112 18.293 123 H LEU 22 H LEU 22 -10.944 -0.663 20.242 124 HA LEU 22 HA LEU 22 -9.304 -2.917 19.626 125 1HB LEU 22 1HB LEU 22 -10.964 -2.213 22.002 126 2HB LEU 22 2HB LEU 22 -9.968 -3.653 21.899 127 HG LEU 22 HG LEU 22 -9.001 -0.807 21.786 128 1HD1 LEU 22 1HD1 LEU 22 -9.629 -1.560 23.998 129 2HD1 LEU 22 2HD1 LEU 22 -7.866 -1.402 23.848 130 3HD1 LEU 22 3HD1 LEU 22 -8.629 -2.997 23.774 131 1HD2 LEU 22 1HD2 LEU 22 -7.738 -2.053 20.312 132 2HD2 LEU 22 2HD2 LEU 22 -7.607 -3.426 21.393 133 3HD2 LEU 22 3HD2 LEU 22 -6.739 -1.907 21.754 134 H ARG 23 H ARG 23 -12.516 -2.258 19.167 135 HA ARG 23 HA ARG 23 -13.400 -5.000 19.365 136 1HB ARG 23 1HB ARG 23 -14.777 -2.549 18.295 137 2HB ARG 23 2HB ARG 23 -15.546 -4.119 18.498 138 1HG ARG 23 1HG ARG 23 -15.263 -4.031 20.870 139 2HG ARG 23 2HG ARG 23 -14.272 -2.578 20.739 140 1HD ARG 23 1HD ARG 23 -17.160 -2.829 19.980 141 2HD ARG 23 2HD ARG 23 -16.547 -2.075 21.451 142 HE ARG 23 HE ARG 23 -15.407 -0.957 19.091 143 1HH1 ARG 23 1HH1 ARG 23 -18.058 -0.719 21.390 144 2HH1 ARG 23 2HH1 ARG 23 -18.649 0.766 20.787 145 1HH2 ARG 23 1HH2 ARG 23 -16.251 1.083 18.219 146 2HH2 ARG 23 2HH2 ARG 23 -17.617 1.798 18.950 147 H TYR 24 H TYR 24 -11.716 -3.201 17.183 148 HA TYR 24 HA TYR 24 -12.610 -4.697 14.838 149 1HB TYR 24 1HB TYR 24 -10.889 -2.278 15.215 150 2HB TYR 24 2HB TYR 24 -10.752 -3.233 13.749 151 HD1 TYR 24 HD1 TYR 24 -12.001 -2.579 11.962 152 HD2 TYR 24 HD2 TYR 24 -13.412 -1.694 15.864 153 HE1 TYR 24 HE1 TYR 24 -13.896 -1.374 10.992 154 HE2 TYR 24 HE2 TYR 24 -15.310 -0.482 14.904 155 HH TYR 24 HH TYR 24 -15.973 -0.577 11.482 156 H GLN 25 H GLN 25 -11.650 -6.496 14.389 157 HA GLN 25 HA GLN 25 -9.117 -7.095 15.598 158 1HB GLN 25 1HB GLN 25 -10.878 -8.749 13.802 159 2HB GLN 25 2HB GLN 25 -9.368 -9.313 14.509 160 1HG GLN 25 1HG GLN 25 -11.801 -8.414 16.000 161 2HG GLN 25 2HG GLN 25 -11.227 -10.088 15.822 162 1HE2 GLN 25 1HE2 GLN 25 -9.384 -10.703 16.966 163 2HE2 GLN 25 2HE2 GLN 25 -8.766 -9.781 18.287 164 H LEU 26 H LEU 26 -7.398 -7.986 14.346 165 HA LEU 26 HA LEU 26 -6.421 -5.949 12.675 166 1HB LEU 26 1HB LEU 26 -5.211 -8.701 12.852 167 2HB LEU 26 2HB LEU 26 -4.410 -7.190 12.524 168 HG LEU 26 HG LEU 26 -3.676 -7.620 14.636 169 1HD1 LEU 26 1HD1 LEU 26 -6.176 -6.117 15.247 170 2HD1 LEU 26 2HD1 LEU 26 -4.636 -5.417 14.725 171 3HD1 LEU 26 3HD1 LEU 26 -4.765 -6.231 16.294 172 1HD2 LEU 26 1HD2 LEU 26 -4.940 -9.671 15.017 173 2HD2 LEU 26 2HD2 LEU 26 -6.366 -8.733 15.469 174 3HD2 LEU 26 3HD2 LEU 26 -4.913 -8.662 16.455 175 H GLY 27 H GLY 27 -7.564 -9.230 11.886 176 1HA GLY 27 1HA GLY 27 -8.707 -9.645 9.892 177 2HA GLY 27 2HA GLY 27 -7.951 -8.230 9.179 178 H PHE 28 H PHE 28 -5.997 -10.552 10.912 179 HA PHE 28 HA PHE 28 -5.468 -12.072 8.561 180 1HB PHE 28 1HB PHE 28 -3.085 -11.636 8.376 181 2HB PHE 28 2HB PHE 28 -3.901 -10.105 8.247 182 HD1 PHE 28 HD1 PHE 28 -3.871 -8.563 10.272 183 HD2 PHE 28 HD2 PHE 28 -1.457 -12.050 10.009 184 HE1 PHE 28 HE1 PHE 28 -2.391 -7.664 12.018 185 HE2 PHE 28 HE2 PHE 28 0.017 -11.168 11.767 186 HZ PHE 28 HZ PHE 28 -0.447 -8.970 12.770 187 H SER 29 H SER 29 -3.783 -13.745 9.107 188 HA SER 29 HA SER 29 -4.101 -14.545 11.913 189 1HB SER 29 1HB SER 29 -4.143 -16.286 9.450 190 2HB SER 29 2HB SER 29 -4.460 -16.811 11.111 191 HG SER 29 HG SER 29 -5.977 -14.769 10.668 192 H VAL 30 H VAL 30 -2.173 -15.298 12.843 193 HA VAL 30 HA VAL 30 0.134 -15.270 11.056 194 HB VAL 30 HB VAL 30 -0.416 -13.197 12.633 195 1HG1 VAL 30 1HG1 VAL 30 -0.520 -14.331 14.741 196 2HG1 VAL 30 2HG1 VAL 30 0.820 -13.173 14.703 197 3HG1 VAL 30 3HG1 VAL 30 1.145 -14.897 14.516 198 1HG2 VAL 30 1HG2 VAL 30 1.430 -13.224 11.150 199 2HG2 VAL 30 2HG2 VAL 30 2.339 -14.283 12.231 200 3HG2 VAL 30 3HG2 VAL 30 1.958 -12.633 12.726 201 H GLN 31 H GLN 31 1.605 -16.875 11.426 202 HA GLN 31 HA GLN 31 1.086 -18.669 13.661 203 1HB GLN 31 1HB GLN 31 2.391 -20.384 12.333 204 2HB GLN 31 2HB GLN 31 0.891 -19.879 11.573 205 1HG GLN 31 1HG GLN 31 2.200 -18.378 10.089 206 2HG GLN 31 2HG GLN 31 3.668 -18.976 10.854 207 1HE2 GLN 31 1HE2 GLN 31 4.445 -20.998 10.301 208 2HE2 GLN 31 2HE2 GLN 31 3.819 -21.897 8.993 209 H ASN 32 H ASN 32 2.143 -17.775 15.244 210 HA ASN 32 HA ASN 32 3.798 -17.014 16.605 211 1HB ASN 32 1HB ASN 32 5.429 -18.937 14.955 212 2HB ASN 32 2HB ASN 32 6.052 -18.130 16.391 213 1HD2 ASN 32 1HD2 ASN 32 5.662 -20.974 15.932 214 2HD2 ASN 32 2HD2 ASN 32 4.568 -21.482 17.157 215 H GLY 33 H GLY 33 3.373 -15.548 14.075 216 1HA GLY 33 1HA GLY 33 4.374 -13.267 14.120 217 2HA GLY 33 2HA GLY 33 5.933 -14.081 14.126 218 H ILE 34 H ILE 34 4.321 -16.024 12.222 219 HA ILE 34 HA ILE 34 4.989 -14.466 9.797 220 HB ILE 34 HB ILE 34 4.863 -17.495 10.113 221 1HG1 ILE 34 1HG1 ILE 34 7.314 -17.393 9.464 222 2HG1 ILE 34 2HG1 ILE 34 7.242 -15.657 9.677 223 1HG2 ILE 34 1HG2 ILE 34 5.517 -15.781 7.748 224 2HG2 ILE 34 2HG2 ILE 34 4.097 -16.813 7.930 225 3HG2 ILE 34 3HG2 ILE 34 5.708 -17.536 7.778 226 1HD1 ILE 34 1HD1 ILE 34 8.274 -16.742 11.569 227 2HD1 ILE 34 2HD1 ILE 34 6.825 -17.725 11.838 228 3HD1 ILE 34 3HD1 ILE 34 6.762 -15.984 12.063 229 H ILE 35 H ILE 35 3.455 -13.718 8.719 230 HA ILE 35 HA ILE 35 0.745 -14.163 9.227 231 HB ILE 35 HB ILE 35 2.063 -12.991 6.770 232 1HG1 ILE 35 1HG1 ILE 35 0.818 -11.575 9.119 233 2HG1 ILE 35 2HG1 ILE 35 2.515 -12.037 9.107 234 1HG2 ILE 35 1HG2 ILE 35 -0.800 -12.743 7.780 235 2HG2 ILE 35 2HG2 ILE 35 -0.304 -13.666 6.371 236 3HG2 ILE 35 3HG2 ILE 35 -0.123 -11.915 6.372 237 1HD1 ILE 35 1HD1 ILE 35 1.288 -10.415 6.952 238 2HD1 ILE 35 2HD1 ILE 35 3.003 -10.568 7.381 239 3HD1 ILE 35 3HD1 ILE 35 1.893 -9.680 8.433 240 H CYS 36 H CYS 36 -0.392 -15.836 8.828 241 HA CYS 36 HA CYS 36 0.461 -17.829 6.885 242 1HB CYS 36 1HB CYS 36 0.064 -18.523 9.198 243 2HB CYS 36 2HB CYS 36 -1.583 -17.923 9.105 244 HG CYS 36 HG CYS 36 -1.853 -19.882 6.771 245 H SER 37 H SER 37 -2.270 -15.718 7.682 246 HA SER 37 HA SER 37 -3.344 -16.121 5.021 247 1HB SER 37 1HB SER 37 -5.087 -16.542 7.467 248 2HB SER 37 2HB SER 37 -5.547 -16.719 5.776 249 HG SER 37 HG SER 37 -3.625 -18.315 5.914 250 H LEU 38 H LEU 38 -4.698 -14.363 4.418 251 HA LEU 38 HA LEU 38 -4.818 -12.159 6.335 252 1HB LEU 38 1HB LEU 38 -3.234 -11.723 4.536 253 2HB LEU 38 2HB LEU 38 -4.442 -12.152 3.343 254 HG LEU 38 HG LEU 38 -5.723 -10.134 3.890 255 1HD1 LEU 38 1HD1 LEU 38 -3.516 -9.610 5.859 256 2HD1 LEU 38 2HD1 LEU 38 -5.189 -10.003 6.257 257 3HD1 LEU 38 3HD1 LEU 38 -4.809 -8.493 5.440 258 1HD2 LEU 38 1HD2 LEU 38 -3.939 -9.986 2.224 259 2HD2 LEU 38 2HD2 LEU 38 -2.812 -9.564 3.529 260 3HD2 LEU 38 3HD2 LEU 38 -4.148 -8.481 3.136 261 H MET 39 H MET 39 -6.834 -11.246 6.579 262 HA MET 39 HA MET 39 -9.014 -12.655 5.327 263 1HB MET 39 1HB MET 39 -9.189 -12.164 7.706 264 2HB MET 39 2HB MET 39 -8.986 -10.448 7.393 265 1HG MET 39 1HG MET 39 -11.105 -10.394 6.199 266 2HG MET 39 2HG MET 39 -11.300 -12.128 6.434 267 1HE MET 39 1HE MET 39 -10.274 -12.529 9.459 268 2HE MET 39 2HE MET 39 -11.711 -13.276 8.769 269 3HE MET 39 3HE MET 39 -11.819 -12.410 10.301 270 H ARG 40 H ARG 40 -9.870 -12.052 3.576 271 HA ARG 40 HA ARG 40 -8.922 -9.790 2.168 272 1HB ARG 40 1HB ARG 40 -9.818 -12.111 1.341 273 2HB ARG 40 2HB ARG 40 -11.376 -11.296 1.395 274 1HG ARG 40 1HG ARG 40 -9.042 -10.194 -0.132 275 2HG ARG 40 2HG ARG 40 -10.175 -11.340 -0.846 276 1HD ARG 40 1HD ARG 40 -10.964 -8.695 0.360 277 2HD ARG 40 2HD ARG 40 -10.578 -8.908 -1.341 278 HE ARG 40 HE ARG 40 -12.880 -10.029 0.084 279 1HH1 ARG 40 1HH1 ARG 40 -11.132 -9.504 -2.946 280 2HH1 ARG 40 2HH1 ARG 40 -12.484 -9.727 -3.948 281 1HH2 ARG 40 1HH2 ARG 40 -14.776 -10.405 -1.315 282 2HH2 ARG 40 2HH2 ARG 40 -14.604 -10.224 -3.001 283 H GLY 41 H GLY 41 -9.666 -7.847 2.159 284 1HA GLY 41 1HA GLY 41 -11.209 -6.133 2.220 285 2HA GLY 41 2HA GLY 41 -12.420 -7.264 2.811 286 H GLY 42 H GLY 42 -9.737 -7.762 4.647 287 1HA GLY 42 1HA GLY 42 -10.909 -6.311 6.881 288 2HA GLY 42 2HA GLY 42 -9.571 -7.455 6.957 289 H ILE 43 H ILE 43 -9.326 -5.240 8.431 290 HA ILE 43 HA ILE 43 -8.191 -3.068 7.082 291 HB ILE 43 HB ILE 43 -6.969 -2.778 9.447 292 1HG1 ILE 43 1HG1 ILE 43 -9.507 -4.294 10.095 293 2HG1 ILE 43 2HG1 ILE 43 -7.851 -4.817 10.416 294 1HG2 ILE 43 1HG2 ILE 43 -9.743 -1.937 8.697 295 2HG2 ILE 43 2HG2 ILE 43 -8.188 -1.105 8.445 296 3HG2 ILE 43 3HG2 ILE 43 -8.814 -1.310 10.070 297 1HD1 ILE 43 1HD1 ILE 43 -9.213 -2.426 11.644 298 2HD1 ILE 43 2HD1 ILE 43 -7.558 -2.953 11.957 299 3HD1 ILE 43 3HD1 ILE 43 -8.913 -3.977 12.434 300 H ALA 44 H ALA 44 -6.734 -5.980 8.218 301 HA ALA 44 HA ALA 44 -4.055 -5.192 8.006 302 1HB ALA 44 1HB ALA 44 -3.584 -7.580 7.821 303 2HB ALA 44 2HB ALA 44 -5.294 -7.879 7.497 304 3HB ALA 44 3HB ALA 44 -4.793 -7.248 9.062 305 H GLU 45 H GLU 45 -6.305 -6.391 5.600 306 HA GLU 45 HA GLU 45 -4.523 -6.513 3.423 307 1HB GLU 45 1HB GLU 45 -6.781 -7.514 3.423 308 2HB GLU 45 2HB GLU 45 -7.482 -5.909 3.510 309 1HG GLU 45 1HG GLU 45 -6.436 -5.393 1.329 310 2HG GLU 45 2HG GLU 45 -5.917 -7.079 1.231 311 H ARG 46 H ARG 46 -6.619 -4.057 4.716 312 HA ARG 46 HA ARG 46 -5.909 -2.002 2.853 313 1HB ARG 46 1HB ARG 46 -7.276 -1.845 5.534 314 2HB ARG 46 2HB ARG 46 -7.047 -0.463 4.473 315 1HG ARG 46 1HG ARG 46 -8.333 -1.584 2.738 316 2HG ARG 46 2HG ARG 46 -8.574 -2.959 3.812 317 1HD ARG 46 1HD ARG 46 -9.846 -1.633 5.331 318 2HD ARG 46 2HD ARG 46 -9.453 -0.148 4.453 319 HE ARG 46 HE ARG 46 -10.692 -2.134 2.844 320 1HH1 ARG 46 1HH1 ARG 46 -11.457 0.404 5.235 321 2HH1 ARG 46 2HH1 ARG 46 -12.903 0.878 4.479 322 1HH2 ARG 46 1HH2 ARG 46 -12.716 -1.471 1.816 323 2HH2 ARG 46 2HH2 ARG 46 -13.617 -0.181 2.517 324 H GLY 47 H GLY 47 -4.215 -3.323 5.348 325 1HA GLY 47 1HA GLY 47 -2.740 -0.881 5.945 326 2HA GLY 47 2HA GLY 47 -2.595 -2.406 6.804 327 H GLY 48 H GLY 48 -2.591 -3.634 3.978 328 1HA GLY 48 1HA GLY 48 -1.023 -3.813 2.212 329 2HA GLY 48 2HA GLY 48 0.124 -2.913 3.193 330 H VAL 49 H VAL 49 -1.598 -5.385 4.801 331 HA VAL 49 HA VAL 49 0.734 -6.855 5.385 332 HB VAL 49 HB VAL 49 -2.204 -7.391 5.762 333 1HG1 VAL 49 1HG1 VAL 49 0.034 -9.007 6.952 334 2HG1 VAL 49 2HG1 VAL 49 -0.932 -9.569 5.586 335 3HG1 VAL 49 3HG1 VAL 49 -1.691 -9.321 7.165 336 1HG2 VAL 49 1HG2 VAL 49 -1.318 -5.656 7.133 337 2HG2 VAL 49 2HG2 VAL 49 -0.009 -6.715 7.674 338 3HG2 VAL 49 3HG2 VAL 49 -1.667 -7.061 8.147 339 H ARG 50 H ARG 50 1.408 -8.862 4.663 340 HA ARG 50 HA ARG 50 0.171 -10.058 2.306 341 1HB ARG 50 1HB ARG 50 3.023 -9.084 2.558 342 2HB ARG 50 2HB ARG 50 2.555 -10.346 1.429 343 1HG ARG 50 1HG ARG 50 1.200 -7.692 1.445 344 2HG ARG 50 2HG ARG 50 2.712 -7.950 0.551 345 1HD ARG 50 1HD ARG 50 1.676 -9.676 -0.760 346 2HD ARG 50 2HD ARG 50 0.214 -9.615 0.224 347 HE ARG 50 HE ARG 50 -0.442 -7.714 -0.847 348 1HH1 ARG 50 1HH1 ARG 50 2.915 -8.234 -1.846 349 2HH1 ARG 50 2HH1 ARG 50 2.721 -7.562 -3.397 350 1HH2 ARG 50 1HH2 ARG 50 -0.717 -6.770 -2.926 351 2HH2 ARG 50 2HH2 ARG 50 0.591 -6.630 -4.016 352 H VAL 51 H VAL 51 0.338 -12.068 2.216 353 HA VAL 51 HA VAL 51 0.841 -13.480 4.663 354 HB VAL 51 HB VAL 51 -0.135 -14.216 1.933 355 1HG1 VAL 51 1HG1 VAL 51 0.002 -15.997 4.387 356 2HG1 VAL 51 2HG1 VAL 51 0.922 -16.233 2.900 357 3HG1 VAL 51 3HG1 VAL 51 -0.838 -16.412 2.896 358 1HG2 VAL 51 1HG2 VAL 51 -1.649 -12.886 3.209 359 2HG2 VAL 51 2HG2 VAL 51 -1.514 -14.009 4.567 360 3HG2 VAL 51 3HG2 VAL 51 -2.284 -14.529 3.067 361 H GLY 52 H GLY 52 2.365 -15.178 4.947 362 1HA GLY 52 1HA GLY 52 4.305 -16.373 4.511 363 2HA GLY 52 2HA GLY 52 4.333 -15.699 2.879 364 H HIS 53 H HIS 53 3.936 -13.789 5.635 365 HA HIS 53 HA HIS 53 6.625 -12.693 5.307 366 1HB HIS 53 1HB HIS 53 3.990 -11.330 5.558 367 2HB HIS 53 2HB HIS 53 5.428 -10.589 6.241 368 HD1 HIS 53 HD1 HIS 53 5.725 -8.642 4.591 369 HD2 HIS 53 HD2 HIS 53 5.252 -12.328 2.699 370 HE1 HIS 53 HE1 HIS 53 6.198 -8.235 2.175 371 HE2 HIS 53 HE2 HIS 53 6.359 -10.562 1.240 372 H ARG 54 H ARG 54 7.774 -12.377 7.093 373 HA ARG 54 HA ARG 54 6.586 -13.206 9.631 374 1HB ARG 54 1HB ARG 54 8.741 -14.268 9.192 375 2HB ARG 54 2HB ARG 54 9.478 -12.706 8.845 376 1HG ARG 54 1HG ARG 54 9.044 -12.032 11.190 377 2HG ARG 54 2HG ARG 54 8.436 -13.650 11.517 378 1HD ARG 54 1HD ARG 54 11.212 -13.045 10.513 379 2HD ARG 54 2HD ARG 54 10.810 -13.231 12.214 380 HE ARG 54 HE ARG 54 10.184 -15.438 10.405 381 1HH1 ARG 54 1HH1 ARG 54 12.384 -14.129 12.859 382 2HH1 ARG 54 2HH1 ARG 54 13.036 -15.643 13.274 383 1HH2 ARG 54 1HH2 ARG 54 11.039 -17.437 10.967 384 2HH2 ARG 54 2HH2 ARG 54 12.288 -17.594 12.130 385 H ILE 55 H ILE 55 5.891 -11.698 10.902 386 HA ILE 55 HA ILE 55 6.540 -8.951 10.364 387 HB ILE 55 HB ILE 55 5.090 -10.066 12.765 388 1HG1 ILE 55 1HG1 ILE 55 3.992 -9.089 10.121 389 2HG1 ILE 55 2HG1 ILE 55 3.924 -10.735 10.741 390 1HG2 ILE 55 1HG2 ILE 55 5.185 -7.314 11.518 391 2HG2 ILE 55 2HG2 ILE 55 5.942 -7.792 13.041 392 3HG2 ILE 55 3HG2 ILE 55 4.185 -7.774 12.896 393 1HD1 ILE 55 1HD1 ILE 55 2.535 -10.049 12.531 394 2HD1 ILE 55 2HD1 ILE 55 1.831 -9.453 10.995 395 3HD1 ILE 55 3HD1 ILE 55 2.770 -8.368 12.058 396 H ILE 56 H ILE 56 8.242 -8.009 11.097 397 HA ILE 56 HA ILE 56 9.636 -9.267 13.271 398 HB ILE 56 HB ILE 56 11.642 -8.142 12.605 399 1HG1 ILE 56 1HG1 ILE 56 10.034 -6.952 10.347 400 2HG1 ILE 56 2HG1 ILE 56 10.529 -6.078 11.802 401 1HG2 ILE 56 1HG2 ILE 56 10.190 -9.415 10.282 402 2HG2 ILE 56 2HG2 ILE 56 11.102 -10.268 11.528 403 3HG2 ILE 56 3HG2 ILE 56 11.934 -9.198 10.399 404 1HD1 ILE 56 1HD1 ILE 56 12.339 -7.384 9.857 405 2HD1 ILE 56 2HD1 ILE 56 12.792 -6.466 11.297 406 3HD1 ILE 56 3HD1 ILE 56 11.994 -5.639 9.929 407 H GLU 57 H GLU 57 7.639 -6.642 12.758 408 HA GLU 57 HA GLU 57 8.319 -5.562 15.342 409 1HB GLU 57 1HB GLU 57 10.011 -4.469 13.844 410 2HB GLU 57 2HB GLU 57 8.681 -3.827 12.890 411 1HG GLU 57 1HG GLU 57 7.914 -2.554 14.825 412 2HG GLU 57 2HG GLU 57 9.236 -3.214 15.775 413 H ILE 58 H ILE 58 6.670 -4.519 16.187 414 HA ILE 58 HA ILE 58 4.394 -3.802 14.500 415 HB ILE 58 HB ILE 58 4.274 -5.452 17.026 416 1HG1 ILE 58 1HG1 ILE 58 3.208 -6.204 14.312 417 2HG1 ILE 58 2HG1 ILE 58 4.832 -6.635 14.849 418 1HG2 ILE 58 1HG2 ILE 58 2.033 -4.347 15.305 419 2HG2 ILE 58 2HG2 ILE 58 2.475 -3.764 16.897 420 3HG2 ILE 58 3HG2 ILE 58 1.814 -5.394 16.716 421 1HD1 ILE 58 1HD1 ILE 58 2.253 -7.456 16.167 422 2HD1 ILE 58 2HD1 ILE 58 3.905 -7.804 16.709 423 3HD1 ILE 58 3HD1 ILE 58 3.335 -8.472 15.179 424 H ASN 59 H ASN 59 3.933 -1.799 15.021 425 HA ASN 59 HA ASN 59 3.365 0.055 16.180 426 1HB ASN 59 1HB ASN 59 2.195 -1.696 17.641 427 2HB ASN 59 2HB ASN 59 3.575 -1.593 18.718 428 1HD2 ASN 59 1HD2 ASN 59 0.762 -0.013 17.508 429 2HD2 ASN 59 2HD2 ASN 59 0.656 1.196 18.730 430 H GLY 60 H GLY 60 6.218 -1.032 15.923 431 1HA GLY 60 1HA GLY 60 8.111 0.415 16.072 432 2HA GLY 60 2HA GLY 60 7.418 1.106 17.532 433 H GLN 61 H GLN 61 6.970 -2.146 17.853 434 HA GLN 61 HA GLN 61 9.594 -2.441 19.089 435 1HB GLN 61 1HB GLN 61 8.587 -3.779 20.879 436 2HB GLN 61 2HB GLN 61 7.938 -2.155 20.854 437 1HG GLN 61 1HG GLN 61 5.947 -3.115 19.616 438 2HG GLN 61 2HG GLN 61 6.598 -4.705 20.011 439 1HE2 GLN 61 1HE2 GLN 61 6.684 -5.341 22.190 440 2HE2 GLN 61 2HE2 GLN 61 5.733 -4.553 23.399 441 H SER 62 H SER 62 10.781 -4.028 18.682 442 HA SER 62 HA SER 62 10.208 -5.611 16.424 443 1HB SER 62 1HB SER 62 12.408 -5.937 18.462 444 2HB SER 62 2HB SER 62 12.425 -6.466 16.778 445 HG SER 62 HG SER 62 12.533 -4.373 16.096 446 H VAL 63 H VAL 63 8.750 -7.287 16.529 447 HA VAL 63 HA VAL 63 8.512 -8.739 19.040 448 HB VAL 63 HB VAL 63 6.335 -9.362 18.212 449 1HG1 VAL 63 1HG1 VAL 63 6.917 -6.403 17.905 450 2HG1 VAL 63 2HG1 VAL 63 6.528 -7.242 19.384 451 3HG1 VAL 63 3HG1 VAL 63 5.303 -7.089 18.117 452 1HG2 VAL 63 1HG2 VAL 63 6.989 -9.535 15.845 453 2HG2 VAL 63 2HG2 VAL 63 6.998 -7.763 15.731 454 3HG2 VAL 63 3HG2 VAL 63 5.499 -8.633 16.070 455 H VAL 64 H VAL 64 10.395 -8.908 16.692 456 HA VAL 64 HA VAL 64 9.906 -11.424 15.464 457 HB VAL 64 HB VAL 64 11.238 -9.395 14.636 458 1HG1 VAL 64 1HG1 VAL 64 13.433 -10.730 16.132 459 2HG1 VAL 64 2HG1 VAL 64 12.758 -9.123 16.403 460 3HG1 VAL 64 3HG1 VAL 64 13.645 -9.467 14.909 461 1HG2 VAL 64 1HG2 VAL 64 10.923 -11.267 13.336 462 2HG2 VAL 64 2HG2 VAL 64 12.170 -12.207 14.184 463 3HG2 VAL 64 3HG2 VAL 64 12.615 -10.804 13.178 464 H ALA 65 H ALA 65 11.112 -10.491 18.437 465 HA ALA 65 HA ALA 65 12.156 -13.186 18.978 466 1HB ALA 65 1HB ALA 65 13.701 -12.141 20.595 467 2HB ALA 65 2HB ALA 65 13.112 -10.547 20.097 468 3HB ALA 65 3HB ALA 65 13.975 -11.568 18.949 469 H THR 66 H THR 66 9.499 -11.720 19.208 470 HA THR 66 HA THR 66 9.018 -11.805 22.045 471 HB THR 66 HB THR 66 7.486 -10.752 19.638 472 HG1 THR 66 HG1 THR 66 9.250 -9.629 21.531 473 1HG2 THR 66 1HG2 THR 66 6.070 -9.624 21.196 474 2HG2 THR 66 2HG2 THR 66 6.958 -10.294 22.572 475 3HG2 THR 66 3HG2 THR 66 6.001 -11.356 21.524 476 HA PRO 67 HA PRO 67 7.184 -15.807 21.213 477 1HB PRO 67 1HB PRO 67 5.759 -16.137 23.490 478 2HB PRO 67 2HB PRO 67 7.516 -16.305 23.435 479 1HG PRO 67 1HG PRO 67 5.857 -14.000 24.350 480 2HG PRO 67 2HG PRO 67 7.339 -14.662 25.056 481 1HD PRO 67 1HD PRO 67 7.314 -12.428 23.497 482 2HD PRO 67 2HD PRO 67 8.699 -13.531 23.600 483 H HIS 68 H HIS 68 5.180 -16.835 21.000 484 HA HIS 68 HA HIS 68 3.325 -15.837 19.297 485 1HB HIS 68 1HB HIS 68 3.621 -18.201 19.862 486 2HB HIS 68 2HB HIS 68 2.961 -17.920 21.452 487 HD1 HIS 68 HD1 HIS 68 2.099 -19.268 18.324 488 HD2 HIS 68 HD2 HIS 68 0.018 -17.095 21.175 489 HE1 HIS 68 HE1 HIS 68 -0.332 -19.772 17.921 490 HE2 HIS 68 HE2 HIS 68 -1.578 -18.365 19.557 491 H GLU 69 H GLU 69 2.746 -16.148 22.803 492 HA GLU 69 HA GLU 69 0.204 -14.984 22.549 493 1HB GLU 69 1HB GLU 69 0.646 -16.562 24.275 494 2HB GLU 69 2HB GLU 69 1.902 -15.524 24.943 495 1HG GLU 69 1HG GLU 69 0.191 -13.839 25.468 496 2HG GLU 69 2HG GLU 69 -1.047 -14.953 24.880 497 H LYS 70 H LYS 70 3.360 -13.709 23.552 498 HA LYS 70 HA LYS 70 2.403 -11.219 24.375 499 1HB LYS 70 1HB LYS 70 5.043 -12.222 23.588 500 2HB LYS 70 2HB LYS 70 4.802 -10.530 23.300 501 1HG LYS 70 1HG LYS 70 3.891 -10.495 25.733 502 2HG LYS 70 2HG LYS 70 4.833 -11.990 25.874 503 1HD LYS 70 1HD LYS 70 6.827 -10.876 25.173 504 2HD LYS 70 2HD LYS 70 5.931 -9.409 24.792 505 1HE LYS 70 1HE LYS 70 6.400 -10.604 27.514 506 2HE LYS 70 2HE LYS 70 7.058 -9.109 26.802 507 1HZ LYS 70 1HZ LYS 70 4.174 -9.539 27.421 508 2HZ LYS 70 2HZ LYS 70 4.875 -8.132 26.805 509 3HZ LYS 70 3HZ LYS 70 5.263 -8.658 28.353 510 H ILE 71 H ILE 71 3.554 -12.250 21.232 511 HA ILE 71 HA ILE 71 3.259 -9.909 19.813 512 HB ILE 71 HB ILE 71 2.744 -12.759 18.892 513 1HG1 ILE 71 1HG1 ILE 71 5.188 -10.999 18.705 514 2HG1 ILE 71 2HG1 ILE 71 4.982 -12.376 19.775 515 1HG2 ILE 71 1HG2 ILE 71 3.115 -12.004 16.655 516 2HG2 ILE 71 2HG2 ILE 71 3.327 -10.342 17.212 517 3HG2 ILE 71 3HG2 ILE 71 1.732 -11.128 17.339 518 1HD1 ILE 71 1HD1 ILE 71 5.053 -12.477 16.769 519 2HD1 ILE 71 2HD1 ILE 71 4.903 -13.867 17.854 520 3HD1 ILE 71 3HD1 ILE 71 6.376 -12.885 17.860 521 H VAL 72 H VAL 72 0.803 -12.333 20.585 522 HA VAL 72 HA VAL 72 -1.289 -10.977 19.193 523 HB VAL 72 HB VAL 72 -1.421 -13.166 21.296 524 1HG1 VAL 72 1HG1 VAL 72 -3.588 -12.196 19.419 525 2HG1 VAL 72 2HG1 VAL 72 -3.549 -11.965 21.165 526 3HG1 VAL 72 3HG1 VAL 72 -3.694 -13.592 20.496 527 1HG2 VAL 72 1HG2 VAL 72 -0.232 -13.838 19.308 528 2HG2 VAL 72 2HG2 VAL 72 -1.549 -13.261 18.293 529 3HG2 VAL 72 3HG2 VAL 72 -1.802 -14.646 19.366 530 H HIS 73 H HIS 73 -0.043 -10.929 22.451 531 HA HIS 73 HA HIS 73 -2.244 -9.681 23.756 532 1HB HIS 73 1HB HIS 73 -0.502 -10.945 24.983 533 2HB HIS 73 2HB HIS 73 0.712 -9.794 24.461 534 HD1 HIS 73 HD1 HIS 73 -1.391 -10.593 27.299 535 HD2 HIS 73 HD2 HIS 73 0.217 -7.113 25.674 536 HE1 HIS 73 HE1 HIS 73 -1.504 -8.880 29.101 537 HE2 HIS 73 HE2 HIS 73 -0.763 -6.737 27.997 538 H ILE 74 H ILE 74 0.768 -8.532 22.379 539 HA ILE 74 HA ILE 74 0.501 -5.846 22.974 540 HB ILE 74 HB ILE 74 2.084 -7.353 20.897 541 1HG1 ILE 74 1HG1 ILE 74 3.173 -5.944 23.296 542 2HG1 ILE 74 2HG1 ILE 74 2.323 -7.467 23.525 543 1HG2 ILE 74 1HG2 ILE 74 2.326 -4.455 21.718 544 2HG2 ILE 74 2HG2 ILE 74 1.667 -5.023 20.192 545 3HG2 ILE 74 3HG2 ILE 74 3.379 -5.306 20.569 546 1HD1 ILE 74 1HD1 ILE 74 4.715 -7.048 21.762 547 2HD1 ILE 74 2HD1 ILE 74 3.800 -8.552 22.067 548 3HD1 ILE 74 3HD1 ILE 74 4.702 -7.800 23.386 549 H LEU 75 H LEU 75 -0.225 -7.749 20.049 550 HA LEU 75 HA LEU 75 -1.241 -5.688 18.451 551 1HB LEU 75 1HB LEU 75 -1.811 -8.628 18.488 552 2HB LEU 75 2HB LEU 75 -2.633 -7.564 17.374 553 HG LEU 75 HG LEU 75 0.362 -7.917 17.496 554 1HD1 LEU 75 1HD1 LEU 75 -1.681 -9.023 15.561 555 2HD1 LEU 75 2HD1 LEU 75 -0.780 -9.963 16.752 556 3HD1 LEU 75 3HD1 LEU 75 0.069 -9.190 15.416 557 1HD2 LEU 75 1HD2 LEU 75 -0.349 -5.730 16.655 558 2HD2 LEU 75 2HD2 LEU 75 -1.448 -6.513 15.530 559 3HD2 LEU 75 3HD2 LEU 75 0.295 -6.722 15.345 560 H SER 76 H SER 76 -3.018 -7.889 20.567 561 HA SER 76 HA SER 76 -5.566 -6.981 20.025 562 1HB SER 76 1HB SER 76 -4.536 -8.158 22.611 563 2HB SER 76 2HB SER 76 -6.231 -8.058 22.126 564 HG SER 76 HG SER 76 -4.161 -9.650 21.112 565 H ASN 77 H ASN 77 -3.169 -5.459 22.058 566 HA ASN 77 HA ASN 77 -5.265 -3.702 23.089 567 1HB ASN 77 1HB ASN 77 -2.480 -4.213 24.123 568 2HB ASN 77 2HB ASN 77 -3.478 -2.885 24.702 569 1HD2 ASN 77 1HD2 ASN 77 -3.063 -6.345 24.615 570 2HD2 ASN 77 2HD2 ASN 77 -4.193 -6.701 25.878 571 H ALA 78 H ALA 78 -3.088 -3.669 20.569 572 HA ALA 78 HA ALA 78 -2.729 -0.770 20.784 573 1HB ALA 78 1HB ALA 78 -1.022 -1.009 19.019 574 2HB ALA 78 2HB ALA 78 -1.385 -2.722 18.884 575 3HB ALA 78 3HB ALA 78 -0.674 -2.090 20.363 576 H VAL 79 H VAL 79 -3.811 0.629 19.491 577 HA VAL 79 HA VAL 79 -5.014 -0.439 17.051 578 HB VAL 79 HB VAL 79 -7.122 0.537 17.379 579 1HG1 VAL 79 1HG1 VAL 79 -6.342 -0.276 20.018 580 2HG1 VAL 79 2HG1 VAL 79 -7.009 -1.208 18.671 581 3HG1 VAL 79 3HG1 VAL 79 -7.980 0.047 19.452 582 1HG2 VAL 79 1HG2 VAL 79 -6.403 2.782 17.865 583 2HG2 VAL 79 2HG2 VAL 79 -6.110 2.325 19.564 584 3HG2 VAL 79 3HG2 VAL 79 -7.752 2.226 18.851 585 H GLY 80 H GLY 80 -5.882 1.899 15.859 586 1HA GLY 80 1HA GLY 80 -5.292 3.980 15.087 587 2HA GLY 80 2HA GLY 80 -3.911 3.977 16.182 588 H GLU 81 H GLU 81 -2.665 4.748 14.446 589 HA GLU 81 HA GLU 81 -2.145 3.045 12.206 590 1HB GLU 81 1HB GLU 81 -0.745 5.464 13.328 591 2HB GLU 81 2HB GLU 81 -0.263 4.665 11.845 592 1HG GLU 81 1HG GLU 81 -2.277 5.242 10.772 593 2HG GLU 81 2HG GLU 81 -3.005 5.801 12.282 594 H ILE 82 H ILE 82 -1.049 1.306 12.400 595 HA ILE 82 HA ILE 82 1.005 1.041 14.528 596 HB ILE 82 HB ILE 82 -0.799 -1.095 13.356 597 1HG1 ILE 82 1HG1 ILE 82 -0.786 0.023 16.171 598 2HG1 ILE 82 2HG1 ILE 82 -1.878 0.580 14.916 599 1HG2 ILE 82 1HG2 ILE 82 1.385 -1.987 13.955 600 2HG2 ILE 82 2HG2 ILE 82 0.160 -2.553 15.099 601 3HG2 ILE 82 3HG2 ILE 82 1.263 -1.255 15.555 602 1HD1 ILE 82 1HD1 ILE 82 -2.875 -1.585 14.765 603 2HD1 ILE 82 2HD1 ILE 82 -2.924 -1.029 16.436 604 3HD1 ILE 82 3HD1 ILE 82 -1.738 -2.248 15.938 605 H HIS 83 H HIS 83 2.938 0.998 13.679 606 HA HIS 83 HA HIS 83 3.378 0.256 10.884 607 1HB HIS 83 1HB HIS 83 5.299 1.094 13.070 608 2HB HIS 83 2HB HIS 83 5.774 0.698 11.435 609 HD1 HIS 83 HD1 HIS 83 6.410 2.770 10.280 610 HD2 HIS 83 HD2 HIS 83 3.222 3.372 12.869 611 HE1 HIS 83 HE1 HIS 83 5.825 5.190 10.085 612 HE2 HIS 83 HE2 HIS 83 4.267 5.535 12.014 613 H MET 84 H MET 84 3.805 -1.701 10.325 614 HA MET 84 HA MET 84 5.190 -3.388 12.269 615 1HB MET 84 1HB MET 84 3.371 -4.334 10.087 616 2HB MET 84 2HB MET 84 4.189 -5.326 11.279 617 1HG MET 84 1HG MET 84 2.796 -4.229 13.019 618 2HG MET 84 2HG MET 84 1.885 -3.449 11.716 619 1HE MET 84 1HE MET 84 2.638 -6.214 9.792 620 2HE MET 84 2HE MET 84 1.323 -5.095 9.545 621 3HE MET 84 3HE MET 84 0.981 -6.840 9.710 622 H LYS 85 H LYS 85 6.708 -4.785 11.314 623 HA LYS 85 HA LYS 85 7.511 -3.930 8.635 624 1HB LYS 85 1HB LYS 85 9.239 -4.703 11.002 625 2HB LYS 85 2HB LYS 85 9.840 -4.468 9.371 626 1HG LYS 85 1HG LYS 85 8.435 -2.371 10.901 627 2HG LYS 85 2HG LYS 85 10.198 -2.606 10.982 628 1HD LYS 85 1HD LYS 85 10.057 -2.474 8.415 629 2HD LYS 85 2HD LYS 85 8.461 -1.787 8.688 630 1HE LYS 85 1HE LYS 85 9.497 -0.089 10.147 631 2HE LYS 85 2HE LYS 85 11.044 -0.879 9.746 632 1HZ LYS 85 1HZ LYS 85 9.299 0.187 7.628 633 2HZ LYS 85 2HZ LYS 85 10.921 -0.239 7.537 634 3HZ LYS 85 3HZ LYS 85 10.464 1.173 8.350 635 H THR 86 H THR 86 7.420 -5.550 7.319 636 HA THR 86 HA THR 86 7.501 -8.224 8.504 637 HB THR 86 HB THR 86 5.913 -8.999 6.888 638 HG1 THR 86 HG1 THR 86 6.052 -6.332 5.871 639 1HG2 THR 86 1HG2 THR 86 5.097 -7.997 8.974 640 2HG2 THR 86 2HG2 THR 86 3.906 -7.839 7.668 641 3HG2 THR 86 3HG2 THR 86 4.877 -6.455 8.151 642 H MET 87 H MET 87 8.678 -9.798 7.520 643 HA MET 87 HA MET 87 10.340 -9.015 5.209 644 1HB MET 87 1HB MET 87 10.822 -10.984 7.477 645 2HB MET 87 2HB MET 87 11.841 -10.875 6.046 646 1HG MET 87 1HG MET 87 12.448 -8.622 6.622 647 2HG MET 87 2HG MET 87 11.340 -8.679 8.002 648 1HE MET 87 1HE MET 87 14.592 -10.331 6.436 649 2HE MET 87 2HE MET 87 13.619 -11.732 6.895 650 3HE MET 87 3HE MET 87 15.110 -11.375 7.761 651 HA PRO 88 HA PRO 88 8.346 -12.419 3.059 652 1HB PRO 88 1HB PRO 88 10.855 -13.568 2.068 653 2HB PRO 88 2HB PRO 88 9.606 -12.704 1.168 654 1HG PRO 88 1HG PRO 88 12.028 -11.624 1.589 655 2HG PRO 88 2HG PRO 88 10.555 -10.634 1.578 656 1HD PRO 88 1HD PRO 88 12.075 -11.722 3.928 657 2HD PRO 88 2HD PRO 88 11.473 -10.069 3.648 658 H ALA 89 H ALA 89 9.297 -12.926 5.721 659 HA ALA 89 HA ALA 89 9.460 -14.498 7.288 660 1HB ALA 89 1HB ALA 89 8.170 -16.520 7.051 661 2HB ALA 89 2HB ALA 89 8.079 -16.281 5.292 662 3HB ALA 89 3HB ALA 89 7.326 -15.115 6.396 663 H ALA 90 H ALA 90 11.647 -14.072 6.514 664 HA ALA 90 HA ALA 90 12.995 -16.597 6.028 665 1HB ALA 90 1HB ALA 90 15.030 -15.197 5.817 666 2HB ALA 90 2HB ALA 90 14.068 -13.760 6.164 667 3HB ALA 90 3HB ALA 90 13.778 -14.678 4.689 Start of MODEL 10 1 H GLU 7 1H GLU 7 22.128 -6.845 8.006 2 HA GLU 7 HA GLU 7 20.910 -9.020 9.586 3 1HB GLU 7 1HB GLU 7 21.909 -7.894 11.576 4 2HB GLU 7 2HB GLU 7 23.109 -8.522 10.461 5 1HG GLU 7 1HG GLU 7 23.481 -6.256 9.598 6 2HG GLU 7 2HG GLU 7 22.250 -5.645 10.695 7 H THR 8 H THR 8 20.859 -5.529 8.860 8 HA THR 8 HA THR 8 18.111 -5.573 9.789 9 HB THR 8 HB THR 8 19.567 -4.475 11.515 10 HG1 THR 8 HG1 THR 8 18.292 -2.732 11.792 11 1HG2 THR 8 1HG2 THR 8 20.144 -2.481 9.321 12 2HG2 THR 8 2HG2 THR 8 21.309 -3.577 10.061 13 3HG2 THR 8 3HG2 THR 8 20.582 -2.283 11.016 14 H MET 9 H MET 9 16.830 -3.871 8.718 15 HA MET 9 HA MET 9 15.977 -3.025 6.817 16 1HB MET 9 1HB MET 9 17.607 -1.221 7.314 17 2HB MET 9 2HB MET 9 18.833 -2.070 6.392 18 1HG MET 9 1HG MET 9 17.946 -0.206 5.124 19 2HG MET 9 2HG MET 9 17.516 -1.727 4.349 20 1HE MET 9 1HE MET 9 15.786 -0.378 2.861 21 2HE MET 9 2HE MET 9 16.192 1.122 3.702 22 3HE MET 9 3HE MET 9 14.508 0.634 3.530 23 H GLY 10 H GLY 10 15.859 -5.409 6.366 24 1HA GLY 10 1HA GLY 10 17.486 -6.204 4.058 25 2HA GLY 10 2HA GLY 10 16.484 -7.279 5.030 26 H ASN 11 H ASN 11 14.725 -7.942 4.028 27 HA ASN 11 HA ASN 11 13.561 -6.200 1.970 28 1HB ASN 11 1HB ASN 11 12.947 -9.143 2.443 29 2HB ASN 11 2HB ASN 11 12.394 -8.159 1.099 30 1HD2 ASN 11 1HD2 ASN 11 14.878 -10.085 2.392 31 2HD2 ASN 11 2HD2 ASN 11 15.943 -10.048 1.038 32 H VAL 12 H VAL 12 12.228 -4.896 3.122 33 HA VAL 12 HA VAL 12 10.583 -6.233 5.043 34 HB VAL 12 HB VAL 12 11.890 -3.510 5.228 35 1HG1 VAL 12 1HG1 VAL 12 9.841 -4.752 7.082 36 2HG1 VAL 12 2HG1 VAL 12 9.538 -3.417 5.970 37 3HG1 VAL 12 3HG1 VAL 12 10.657 -3.201 7.312 38 1HG2 VAL 12 1HG2 VAL 12 12.757 -4.346 7.338 39 2HG2 VAL 12 2HG2 VAL 12 13.312 -5.339 5.974 40 3HG2 VAL 12 3HG2 VAL 12 12.013 -5.912 7.027 41 H THR 13 H THR 13 8.653 -5.836 4.888 42 HA THR 13 HA THR 13 7.612 -3.809 3.089 43 HB THR 13 HB THR 13 6.848 -6.585 3.816 44 HG1 THR 13 HG1 THR 13 7.646 -5.292 1.509 45 1HG2 THR 13 1HG2 THR 13 5.119 -4.569 2.369 46 2HG2 THR 13 2HG2 THR 13 4.822 -5.250 3.966 47 3HG2 THR 13 3HG2 THR 13 4.732 -6.291 2.531 48 H THR 14 H THR 14 7.118 -2.267 4.339 49 HA THR 14 HA THR 14 6.430 -2.718 7.091 50 HB THR 14 HB THR 14 6.569 -0.187 5.513 51 HG1 THR 14 HG1 THR 14 8.607 -1.163 5.535 52 1HG2 THR 14 1HG2 THR 14 6.597 -0.725 8.497 53 2HG2 THR 14 2HG2 THR 14 5.332 0.106 7.599 54 3HG2 THR 14 3HG2 THR 14 6.922 0.862 7.796 55 H VAL 15 H VAL 15 4.483 -2.405 7.952 56 HA VAL 15 HA VAL 15 2.242 -2.132 6.099 57 HB VAL 15 HB VAL 15 2.657 -3.967 8.441 58 1HG1 VAL 15 1HG1 VAL 15 0.127 -3.480 6.838 59 2HG1 VAL 15 2HG1 VAL 15 0.390 -3.032 8.532 60 3HG1 VAL 15 3HG1 VAL 15 0.374 -4.739 8.055 61 1HG2 VAL 15 1HG2 VAL 15 2.063 -4.385 5.559 62 2HG2 VAL 15 2HG2 VAL 15 2.072 -5.686 6.740 63 3HG2 VAL 15 3HG2 VAL 15 3.577 -4.765 6.389 64 H LEU 16 H LEU 16 0.635 -0.831 6.763 65 HA LEU 16 HA LEU 16 0.876 0.193 9.460 66 1HB LEU 16 1HB LEU 16 1.492 1.903 7.805 67 2HB LEU 16 2HB LEU 16 -0.090 1.711 7.062 68 HG LEU 16 HG LEU 16 -1.019 2.207 9.383 69 1HD1 LEU 16 1HD1 LEU 16 1.734 3.319 9.708 70 2HD1 LEU 16 2HD1 LEU 16 1.006 2.004 10.624 71 3HD1 LEU 16 3HD1 LEU 16 0.354 3.648 10.758 72 1HD2 LEU 16 1HD2 LEU 16 -1.227 3.609 7.495 73 2HD2 LEU 16 2HD2 LEU 16 0.362 4.342 7.852 74 3HD2 LEU 16 3HD2 LEU 16 -1.004 4.509 9.007 75 H ILE 17 H ILE 17 -0.721 -0.492 10.539 76 HA ILE 17 HA ILE 17 -3.285 -0.989 9.239 77 HB ILE 17 HB ILE 17 -1.928 -2.105 11.656 78 1HG1 ILE 17 1HG1 ILE 17 -2.303 -3.364 9.551 79 2HG1 ILE 17 2HG1 ILE 17 -3.015 -4.138 10.970 80 1HG2 ILE 17 1HG2 ILE 17 -4.925 -1.851 11.567 81 2HG2 ILE 17 2HG2 ILE 17 -3.889 -0.949 12.657 82 3HG2 ILE 17 3HG2 ILE 17 -4.001 -2.724 12.795 83 1HD1 ILE 17 1HD1 ILE 17 -4.422 -2.645 8.780 84 2HD1 ILE 17 2HD1 ILE 17 -5.107 -2.850 10.359 85 3HD1 ILE 17 3HD1 ILE 17 -4.738 -4.284 9.405 86 H ARG 18 H ARG 18 -4.836 0.444 9.450 87 HA ARG 18 HA ARG 18 -4.624 2.071 11.835 88 1HB ARG 18 1HB ARG 18 -5.879 2.744 9.204 89 2HB ARG 18 2HB ARG 18 -6.137 3.715 10.662 90 1HG ARG 18 1HG ARG 18 -3.676 3.969 10.826 91 2HG ARG 18 2HG ARG 18 -3.532 3.163 9.265 92 1HD ARG 18 1HD ARG 18 -3.412 5.516 9.011 93 2HD ARG 18 2HD ARG 18 -4.918 4.907 8.277 94 HE ARG 18 HE ARG 18 -5.041 5.924 11.000 95 1HH1 ARG 18 1HH1 ARG 18 -5.675 6.562 7.551 96 2HH1 ARG 18 2HH1 ARG 18 -6.610 7.953 7.843 97 1HH2 ARG 18 1HH2 ARG 18 -6.433 7.760 11.386 98 2HH2 ARG 18 2HH2 ARG 18 -7.103 8.621 10.073 99 H ARG 19 H ARG 19 -5.557 1.202 13.158 100 HA ARG 19 HA ARG 19 -8.118 -0.177 12.813 101 1HB ARG 19 1HB ARG 19 -6.352 -1.503 13.693 102 2HB ARG 19 2HB ARG 19 -5.980 -0.297 14.908 103 1HG ARG 19 1HG ARG 19 -8.021 -0.753 16.048 104 2HG ARG 19 2HG ARG 19 -8.523 -1.904 14.789 105 1HD ARG 19 1HD ARG 19 -6.512 -3.235 15.285 106 2HD ARG 19 2HD ARG 19 -6.099 -2.109 16.571 107 HE ARG 19 HE ARG 19 -8.684 -3.069 16.920 108 1HH1 ARG 19 1HH1 ARG 19 -5.323 -3.801 17.421 109 2HH1 ARG 19 2HH1 ARG 19 -5.489 -5.199 18.325 110 1HH2 ARG 19 1HH2 ARG 19 -9.063 -5.111 18.348 111 2HH2 ARG 19 2HH2 ARG 19 -7.689 -5.899 18.917 112 HA PRO 20 HA PRO 20 -9.851 3.578 14.805 113 1HB PRO 20 1HB PRO 20 -12.211 1.743 14.755 114 2HB PRO 20 2HB PRO 20 -12.113 3.450 14.299 115 1HG PRO 20 1HG PRO 20 -12.210 1.614 12.410 116 2HG PRO 20 2HG PRO 20 -11.071 2.967 12.259 117 1HD PRO 20 1HD PRO 20 -10.541 0.132 13.057 118 2HD PRO 20 2HD PRO 20 -9.588 1.211 12.013 119 H ASP 21 H ASP 21 -10.714 0.286 15.894 120 HA ASP 21 HA ASP 21 -10.016 0.867 18.605 121 1HB ASP 21 1HB ASP 21 -12.206 0.442 19.623 122 2HB ASP 21 2HB ASP 21 -12.276 1.850 18.581 123 H LEU 22 H LEU 22 -10.961 -1.118 20.006 124 HA LEU 22 HA LEU 22 -9.351 -3.222 19.073 125 1HB LEU 22 1HB LEU 22 -11.134 -3.034 21.454 126 2HB LEU 22 2HB LEU 22 -10.084 -4.400 21.118 127 HG LEU 22 HG LEU 22 -9.244 -1.560 21.622 128 1HD1 LEU 22 1HD1 LEU 22 -8.747 -4.115 23.096 129 2HD1 LEU 22 2HD1 LEU 22 -9.858 -2.824 23.588 130 3HD1 LEU 22 3HD1 LEU 22 -8.112 -2.528 23.548 131 1HD2 LEU 22 1HD2 LEU 22 -7.907 -2.397 19.927 132 2HD2 LEU 22 2HD2 LEU 22 -7.675 -3.946 20.694 133 3HD2 LEU 22 3HD2 LEU 22 -6.895 -2.487 21.360 134 H ARG 23 H ARG 23 -12.646 -2.739 18.616 135 HA ARG 23 HA ARG 23 -13.135 -5.565 18.233 136 1HB ARG 23 1HB ARG 23 -14.975 -3.247 17.573 137 2HB ARG 23 2HB ARG 23 -15.417 -4.944 17.469 138 1HG ARG 23 1HG ARG 23 -14.792 -3.349 19.949 139 2HG ARG 23 2HG ARG 23 -16.323 -4.108 19.502 140 1HD ARG 23 1HD ARG 23 -15.311 -6.310 19.697 141 2HD ARG 23 2HD ARG 23 -13.759 -5.583 20.078 142 HE ARG 23 HE ARG 23 -15.928 -6.099 21.806 143 1HH1 ARG 23 1HH1 ARG 23 -13.566 -3.475 21.452 144 2HH1 ARG 23 2HH1 ARG 23 -13.022 -3.521 23.047 145 1HH2 ARG 23 1HH2 ARG 23 -15.092 -6.213 24.069 146 2HH2 ARG 23 2HH2 ARG 23 -13.879 -5.119 24.558 147 H TYR 24 H TYR 24 -11.680 -3.270 16.415 148 HA TYR 24 HA TYR 24 -12.606 -4.325 13.879 149 1HB TYR 24 1HB TYR 24 -10.767 -2.098 14.612 150 2HB TYR 24 2HB TYR 24 -10.703 -2.766 12.985 151 HD1 TYR 24 HD1 TYR 24 -12.077 -1.907 11.375 152 HD2 TYR 24 HD2 TYR 24 -13.176 -1.443 15.459 153 HE1 TYR 24 HE1 TYR 24 -13.999 -0.544 10.695 154 HE2 TYR 24 HE2 TYR 24 -15.103 -0.071 14.778 155 HH TYR 24 HH TYR 24 -16.020 0.194 11.442 156 H GLN 25 H GLN 25 -10.142 -5.075 16.035 157 HA GLN 25 HA GLN 25 -8.327 -6.416 15.981 158 1HB GLN 25 1HB GLN 25 -10.046 -7.687 13.872 159 2HB GLN 25 2HB GLN 25 -8.479 -8.370 14.290 160 1HG GLN 25 1HG GLN 25 -10.682 -7.827 16.205 161 2HG GLN 25 2HG GLN 25 -10.343 -9.420 15.482 162 1HE2 GLN 25 1HE2 GLN 25 -8.404 -10.446 16.053 163 2HE2 GLN 25 2HE2 GLN 25 -7.544 -10.090 17.497 164 H LEU 26 H LEU 26 -6.950 -7.671 13.944 165 HA LEU 26 HA LEU 26 -5.820 -5.352 12.551 166 1HB LEU 26 1HB LEU 26 -4.691 -8.153 12.654 167 2HB LEU 26 2HB LEU 26 -3.858 -6.672 12.258 168 HG LEU 26 HG LEU 26 -2.986 -7.228 14.317 169 1HD1 LEU 26 1HD1 LEU 26 -3.653 -4.923 14.363 170 2HD1 LEU 26 2HD1 LEU 26 -3.784 -5.665 15.971 171 3HD1 LEU 26 3HD1 LEU 26 -5.235 -5.402 15.008 172 1HD2 LEU 26 1HD2 LEU 26 -5.750 -8.002 15.249 173 2HD2 LEU 26 2HD2 LEU 26 -4.342 -7.955 16.291 174 3HD2 LEU 26 3HD2 LEU 26 -4.389 -9.084 14.930 175 H GLY 27 H GLY 27 -6.896 -8.672 12.031 176 1HA GLY 27 1HA GLY 27 -8.486 -9.031 10.248 177 2HA GLY 27 2HA GLY 27 -7.584 -7.865 9.289 178 H PHE 28 H PHE 28 -5.592 -9.889 11.148 179 HA PHE 28 HA PHE 28 -5.426 -11.916 9.087 180 1HB PHE 28 1HB PHE 28 -3.036 -11.684 8.732 181 2HB PHE 28 2HB PHE 28 -3.787 -10.148 8.379 182 HD1 PHE 28 HD1 PHE 28 -1.505 -11.950 10.582 183 HD2 PHE 28 HD2 PHE 28 -3.432 -8.224 9.890 184 HE1 PHE 28 HE1 PHE 28 0.056 -10.862 12.132 185 HE2 PHE 28 HE2 PHE 28 -1.865 -7.126 11.434 186 HZ PHE 28 HZ PHE 28 -0.125 -8.440 12.556 187 H SER 29 H SER 29 -3.990 -13.668 9.781 188 HA SER 29 HA SER 29 -3.975 -13.946 12.703 189 1HB SER 29 1HB SER 29 -4.361 -15.988 10.534 190 2HB SER 29 2HB SER 29 -4.316 -16.355 12.265 191 HG SER 29 HG SER 29 -6.134 -15.121 12.556 192 H VAL 30 H VAL 30 -2.024 -14.582 13.620 193 HA VAL 30 HA VAL 30 0.146 -14.991 11.712 194 HB VAL 30 HB VAL 30 -0.113 -12.765 13.183 195 1HG1 VAL 30 1HG1 VAL 30 -0.023 -13.777 15.351 196 2HG1 VAL 30 2HG1 VAL 30 1.328 -12.670 15.078 197 3HG1 VAL 30 3HG1 VAL 30 1.586 -14.420 14.964 198 1HG2 VAL 30 1HG2 VAL 30 1.535 -13.015 11.496 199 2HG2 VAL 30 2HG2 VAL 30 2.501 -14.059 12.536 200 3HG2 VAL 30 3HG2 VAL 30 2.291 -12.354 12.946 201 H GLN 31 H GLN 31 1.383 -16.713 11.994 202 HA GLN 31 HA GLN 31 1.244 -18.185 14.531 203 1HB GLN 31 1HB GLN 31 1.338 -19.200 11.714 204 2HB GLN 31 2HB GLN 31 1.896 -20.181 13.052 205 1HG GLN 31 1HG GLN 31 -0.339 -19.989 14.068 206 2HG GLN 31 2HG GLN 31 -0.872 -19.099 12.638 207 1HE2 GLN 31 1HE2 GLN 31 0.401 -22.099 13.774 208 2HE2 GLN 31 2HE2 GLN 31 -0.190 -23.086 12.481 209 H ASN 32 H ASN 32 3.125 -18.614 15.458 210 HA ASN 32 HA ASN 32 5.292 -18.380 16.017 211 1HB ASN 32 1HB ASN 32 5.717 -18.956 13.083 212 2HB ASN 32 2HB ASN 32 7.030 -18.956 14.266 213 1HD2 ASN 32 1HD2 ASN 32 4.587 -20.683 12.719 214 2HD2 ASN 32 2HD2 ASN 32 4.667 -22.131 13.633 215 H GLY 33 H GLY 33 3.821 -15.967 14.416 216 1HA GLY 33 1HA GLY 33 4.576 -13.706 14.579 217 2HA GLY 33 2HA GLY 33 6.232 -14.281 14.391 218 H ILE 34 H ILE 34 4.310 -16.042 12.390 219 HA ILE 34 HA ILE 34 4.879 -14.314 10.092 220 HB ILE 34 HB ILE 34 4.771 -17.363 10.106 221 1HG1 ILE 34 1HG1 ILE 34 7.201 -17.113 9.251 222 2HG1 ILE 34 2HG1 ILE 34 7.103 -15.467 9.846 223 1HG2 ILE 34 1HG2 ILE 34 5.340 -15.441 7.876 224 2HG2 ILE 34 2HG2 ILE 34 3.896 -16.435 8.048 225 3HG2 ILE 34 3HG2 ILE 34 5.467 -17.199 7.738 226 1HD1 ILE 34 1HD1 ILE 34 6.837 -17.958 11.502 227 2HD1 ILE 34 2HD1 ILE 34 6.754 -16.300 12.101 228 3HD1 ILE 34 3HD1 ILE 34 8.256 -16.913 11.400 229 H ILE 35 H ILE 35 3.241 -13.650 9.040 230 HA ILE 35 HA ILE 35 0.565 -14.104 9.697 231 HB ILE 35 HB ILE 35 1.784 -13.012 7.160 232 1HG1 ILE 35 1HG1 ILE 35 0.666 -11.465 9.486 233 2HG1 ILE 35 2HG1 ILE 35 2.334 -12.013 9.477 234 1HG2 ILE 35 1HG2 ILE 35 -0.558 -13.621 6.798 235 2HG2 ILE 35 2HG2 ILE 35 -0.426 -11.871 6.892 236 3HG2 ILE 35 3HG2 ILE 35 -1.037 -12.790 8.275 237 1HD1 ILE 35 1HD1 ILE 35 2.833 -10.708 7.604 238 2HD1 ILE 35 2HD1 ILE 35 1.915 -9.667 8.718 239 3HD1 ILE 35 3HD1 ILE 35 1.136 -10.401 7.299 240 H CYS 36 H CYS 36 -0.621 -15.858 9.282 241 HA CYS 36 HA CYS 36 0.254 -17.669 7.153 242 1HB CYS 36 1HB CYS 36 0.119 -18.598 9.433 243 2HB CYS 36 2HB CYS 36 -1.599 -18.218 9.470 244 HG CYS 36 HG CYS 36 -2.119 -20.657 8.803 245 H SER 37 H SER 37 -2.546 -15.837 8.288 246 HA SER 37 HA SER 37 -3.731 -16.251 5.699 247 1HB SER 37 1HB SER 37 -5.967 -16.666 6.825 248 2HB SER 37 2HB SER 37 -4.815 -17.996 6.928 249 HG SER 37 HG SER 37 -5.882 -16.380 8.859 250 H LEU 38 H LEU 38 -5.148 -14.616 5.095 251 HA LEU 38 HA LEU 38 -5.140 -12.226 6.786 252 1HB LEU 38 1HB LEU 38 -3.473 -11.989 5.058 253 2HB LEU 38 2HB LEU 38 -4.607 -12.521 3.836 254 HG LEU 38 HG LEU 38 -5.909 -10.452 4.154 255 1HD1 LEU 38 1HD1 LEU 38 -3.682 -9.710 6.035 256 2HD1 LEU 38 2HD1 LEU 38 -5.365 -10.031 6.474 257 3HD1 LEU 38 3HD1 LEU 38 -4.965 -8.643 5.472 258 1HD2 LEU 38 1HD2 LEU 38 -4.152 -10.555 2.460 259 2HD2 LEU 38 2HD2 LEU 38 -2.989 -10.001 3.675 260 3HD2 LEU 38 3HD2 LEU 38 -4.292 -8.938 3.163 261 H MET 39 H MET 39 -7.150 -11.342 6.979 262 HA MET 39 HA MET 39 -9.326 -12.586 5.534 263 1HB MET 39 1HB MET 39 -9.580 -12.133 7.941 264 2HB MET 39 2HB MET 39 -9.337 -10.416 7.651 265 1HG MET 39 1HG MET 39 -11.377 -10.349 6.322 266 2HG MET 39 2HG MET 39 -11.619 -12.073 6.591 267 1HE MET 39 1HE MET 39 -11.532 -8.509 8.224 268 2HE MET 39 2HE MET 39 -10.337 -9.365 9.203 269 3HE MET 39 3HE MET 39 -11.871 -8.873 9.915 270 H ARG 40 H ARG 40 -9.659 -11.949 3.618 271 HA ARG 40 HA ARG 40 -8.703 -9.525 2.532 272 1HB ARG 40 1HB ARG 40 -9.499 -10.224 0.443 273 2HB ARG 40 2HB ARG 40 -9.260 -11.731 1.305 274 1HG ARG 40 1HG ARG 40 -11.928 -10.372 0.922 275 2HG ARG 40 2HG ARG 40 -11.314 -11.695 -0.059 276 1HD ARG 40 1HD ARG 40 -11.259 -13.121 1.912 277 2HD ARG 40 2HD ARG 40 -11.808 -11.743 2.874 278 HE ARG 40 HE ARG 40 -13.843 -11.762 1.503 279 1HH1 ARG 40 1HH1 ARG 40 -11.973 -14.796 1.747 280 2HH1 ARG 40 2HH1 ARG 40 -13.317 -15.809 1.590 281 1HH2 ARG 40 1HH2 ARG 40 -15.720 -13.211 1.286 282 2HH2 ARG 40 2HH2 ARG 40 -15.491 -14.898 1.388 283 H GLY 41 H GLY 41 -9.690 -7.678 1.957 284 1HA GLY 41 1HA GLY 41 -11.356 -6.039 1.908 285 2HA GLY 41 2HA GLY 41 -12.473 -7.193 2.620 286 H GLY 42 H GLY 42 -10.100 -7.590 4.650 287 1HA GLY 42 1HA GLY 42 -11.280 -5.782 6.581 288 2HA GLY 42 2HA GLY 42 -10.134 -7.072 6.926 289 H ILE 43 H ILE 43 -9.566 -4.904 8.232 290 HA ILE 43 HA ILE 43 -8.239 -2.932 6.784 291 HB ILE 43 HB ILE 43 -6.998 -2.550 9.094 292 1HG1 ILE 43 1HG1 ILE 43 -9.510 -4.022 9.896 293 2HG1 ILE 43 2HG1 ILE 43 -7.847 -4.514 10.212 294 1HG2 ILE 43 1HG2 ILE 43 -9.844 -1.772 8.494 295 2HG2 ILE 43 2HG2 ILE 43 -8.368 -0.926 8.002 296 3HG2 ILE 43 3HG2 ILE 43 -8.804 -1.019 9.707 297 1HD1 ILE 43 1HD1 ILE 43 -9.205 -2.071 11.309 298 2HD1 ILE 43 2HD1 ILE 43 -7.535 -2.536 11.607 299 3HD1 ILE 43 3HD1 ILE 43 -8.851 -3.561 12.190 300 H ALA 44 H ALA 44 -6.956 -5.893 8.035 301 HA ALA 44 HA ALA 44 -4.245 -5.199 7.800 302 1HB ALA 44 1HB ALA 44 -5.488 -7.905 7.477 303 2HB ALA 44 2HB ALA 44 -5.042 -7.152 9.005 304 3HB ALA 44 3HB ALA 44 -3.793 -7.566 7.822 305 H GLU 45 H GLU 45 -6.457 -6.486 5.386 306 HA GLU 45 HA GLU 45 -4.434 -6.853 3.431 307 1HB GLU 45 1HB GLU 45 -6.634 -7.999 3.314 308 2HB GLU 45 2HB GLU 45 -7.414 -6.447 3.069 309 1HG GLU 45 1HG GLU 45 -6.286 -6.160 0.962 310 2HG GLU 45 2HG GLU 45 -5.378 -7.649 1.221 311 H ARG 46 H ARG 46 -6.530 -4.284 4.340 312 HA ARG 46 HA ARG 46 -5.748 -2.506 2.215 313 1HB ARG 46 1HB ARG 46 -7.120 -1.853 4.830 314 2HB ARG 46 2HB ARG 46 -7.025 -0.808 3.417 315 1HG ARG 46 1HG ARG 46 -8.319 -2.455 2.131 316 2HG ARG 46 2HG ARG 46 -8.459 -3.453 3.584 317 1HD ARG 46 1HD ARG 46 -9.619 -1.617 4.710 318 2HD ARG 46 2HD ARG 46 -9.485 -0.643 3.250 319 HE ARG 46 HE ARG 46 -11.292 -2.860 3.737 320 1HH1 ARG 46 1HH1 ARG 46 -9.803 -0.856 1.208 321 2HH1 ARG 46 2HH1 ARG 46 -11.125 -0.919 0.162 322 1HH2 ARG 46 1HH2 ARG 46 -13.139 -2.944 2.295 323 2HH2 ARG 46 2HH2 ARG 46 -13.072 -2.146 0.781 324 H GLY 47 H GLY 47 -4.588 -3.262 5.362 325 1HA GLY 47 1HA GLY 47 -2.912 -0.987 5.694 326 2HA GLY 47 2HA GLY 47 -2.893 -2.450 6.654 327 H GLY 48 H GLY 48 -2.575 -4.057 4.111 328 1HA GLY 48 1HA GLY 48 -0.870 -4.148 2.369 329 2HA GLY 48 2HA GLY 48 0.189 -3.258 3.452 330 H VAL 49 H VAL 49 -1.607 -5.574 5.061 331 HA VAL 49 HA VAL 49 0.643 -7.121 5.776 332 HB VAL 49 HB VAL 49 -2.319 -7.482 6.105 333 1HG1 VAL 49 1HG1 VAL 49 -0.146 -9.018 7.510 334 2HG1 VAL 49 2HG1 VAL 49 -1.111 -9.682 6.190 335 3HG1 VAL 49 3HG1 VAL 49 -1.879 -9.259 7.725 336 1HG2 VAL 49 1HG2 VAL 49 -0.200 -6.666 8.048 337 2HG2 VAL 49 2HG2 VAL 49 -1.897 -6.912 8.449 338 3HG2 VAL 49 3HG2 VAL 49 -1.433 -5.627 7.325 339 H ARG 50 H ARG 50 1.356 -9.029 4.932 340 HA ARG 50 HA ARG 50 -0.248 -10.374 2.893 341 1HB ARG 50 1HB ARG 50 2.631 -9.511 2.594 342 2HB ARG 50 2HB ARG 50 1.875 -10.738 1.590 343 1HG ARG 50 1HG ARG 50 0.952 -7.893 1.824 344 2HG ARG 50 2HG ARG 50 1.948 -8.542 0.502 345 1HD ARG 50 1HD ARG 50 0.140 -10.120 -0.028 346 2HD ARG 50 2HD ARG 50 -0.838 -9.429 1.260 347 HE ARG 50 HE ARG 50 -0.469 -7.273 -0.143 348 1HH1 ARG 50 1HH1 ARG 50 -1.053 -10.553 -1.367 349 2HH1 ARG 50 2HH1 ARG 50 -1.963 -10.048 -2.710 350 1HH2 ARG 50 1HH2 ARG 50 -1.660 -6.566 -2.038 351 2HH2 ARG 50 2HH2 ARG 50 -2.241 -7.731 -3.152 352 H VAL 51 H VAL 51 -0.039 -12.366 2.727 353 HA VAL 51 HA VAL 51 0.667 -13.770 5.104 354 HB VAL 51 HB VAL 51 -0.418 -14.527 2.430 355 1HG1 VAL 51 1HG1 VAL 51 -0.061 -16.341 4.847 356 2HG1 VAL 51 2HG1 VAL 51 0.803 -16.495 3.316 357 3HG1 VAL 51 3HG1 VAL 51 -0.939 -16.784 3.383 358 1HG2 VAL 51 1HG2 VAL 51 -1.917 -13.285 3.816 359 2HG2 VAL 51 2HG2 VAL 51 -1.678 -14.429 5.142 360 3HG2 VAL 51 3HG2 VAL 51 -2.496 -14.947 3.669 361 H GLY 52 H GLY 52 2.264 -15.335 5.355 362 1HA GLY 52 1HA GLY 52 4.227 -16.505 4.837 363 2HA GLY 52 2HA GLY 52 4.197 -15.793 3.223 364 H HIS 53 H HIS 53 3.754 -13.765 5.878 365 HA HIS 53 HA HIS 53 6.462 -12.700 5.563 366 1HB HIS 53 1HB HIS 53 3.839 -11.316 5.818 367 2HB HIS 53 2HB HIS 53 5.287 -10.546 6.448 368 HD1 HIS 53 HD1 HIS 53 5.466 -8.672 4.744 369 HD2 HIS 53 HD2 HIS 53 5.164 -12.451 3.015 370 HE1 HIS 53 HE1 HIS 53 5.894 -8.346 2.290 371 HE2 HIS 53 HE2 HIS 53 5.541 -10.630 1.261 372 H ARG 54 H ARG 54 7.629 -12.322 7.304 373 HA ARG 54 HA ARG 54 6.461 -13.083 9.876 374 1HB ARG 54 1HB ARG 54 8.550 -14.303 9.335 375 2HB ARG 54 2HB ARG 54 9.365 -12.770 9.064 376 1HG ARG 54 1HG ARG 54 9.404 -12.226 11.322 377 2HG ARG 54 2HG ARG 54 8.153 -13.400 11.717 378 1HD ARG 54 1HD ARG 54 10.373 -14.108 12.481 379 2HD ARG 54 2HD ARG 54 9.672 -15.225 11.322 380 HE ARG 54 HE ARG 54 11.260 -13.641 9.798 381 1HH1 ARG 54 1HH1 ARG 54 11.884 -15.334 12.850 382 2HH1 ARG 54 2HH1 ARG 54 13.408 -15.916 12.387 383 1HH2 ARG 54 1HH2 ARG 54 13.532 -14.423 9.176 384 2HH2 ARG 54 2HH2 ARG 54 14.323 -15.360 10.335 385 H ILE 55 H ILE 55 5.951 -11.574 11.207 386 HA ILE 55 HA ILE 55 6.577 -8.848 10.561 387 HB ILE 55 HB ILE 55 5.229 -9.917 13.043 388 1HG1 ILE 55 1HG1 ILE 55 4.037 -8.991 10.415 389 2HG1 ILE 55 2HG1 ILE 55 3.973 -10.610 11.098 390 1HG2 ILE 55 1HG2 ILE 55 5.286 -7.162 11.790 391 2HG2 ILE 55 2HG2 ILE 55 6.096 -7.644 13.278 392 3HG2 ILE 55 3HG2 ILE 55 4.332 -7.616 13.201 393 1HD1 ILE 55 1HD1 ILE 55 1.906 -9.381 11.381 394 2HD1 ILE 55 2HD1 ILE 55 2.848 -8.165 12.301 395 3HD1 ILE 55 3HD1 ILE 55 2.687 -9.814 12.925 396 H ILE 56 H ILE 56 8.278 -7.838 11.224 397 HA ILE 56 HA ILE 56 9.775 -9.092 13.301 398 HB ILE 56 HB ILE 56 11.742 -7.912 12.587 399 1HG1 ILE 56 1HG1 ILE 56 10.034 -6.743 10.388 400 2HG1 ILE 56 2HG1 ILE 56 10.584 -5.861 11.818 401 1HG2 ILE 56 1HG2 ILE 56 10.252 -9.233 10.318 402 2HG2 ILE 56 2HG2 ILE 56 11.239 -10.041 11.537 403 3HG2 ILE 56 3HG2 ILE 56 11.992 -8.948 10.374 404 1HD1 ILE 56 1HD1 ILE 56 11.996 -5.406 9.910 405 2HD1 ILE 56 2HD1 ILE 56 12.299 -7.161 9.775 406 3HD1 ILE 56 3HD1 ILE 56 12.840 -6.284 11.210 407 H GLU 57 H GLU 57 7.738 -6.476 12.901 408 HA GLU 57 HA GLU 57 8.537 -5.415 15.449 409 1HB GLU 57 1HB GLU 57 10.204 -4.382 13.886 410 2HB GLU 57 2HB GLU 57 8.856 -3.651 13.026 411 1HG GLU 57 1HG GLU 57 8.231 -2.442 15.027 412 2HG GLU 57 2HG GLU 57 9.571 -3.169 15.887 413 H ILE 58 H ILE 58 7.012 -4.225 16.354 414 HA ILE 58 HA ILE 58 4.649 -3.403 14.834 415 HB ILE 58 HB ILE 58 4.646 -5.023 17.400 416 1HG1 ILE 58 1HG1 ILE 58 3.362 -5.753 14.764 417 2HG1 ILE 58 2HG1 ILE 58 4.989 -6.250 15.213 418 1HG2 ILE 58 1HG2 ILE 58 2.344 -3.808 15.832 419 2HG2 ILE 58 2HG2 ILE 58 2.892 -3.295 17.427 420 3HG2 ILE 58 3HG2 ILE 58 2.150 -4.888 17.217 421 1HD1 ILE 58 1HD1 ILE 58 2.479 -6.932 16.727 422 2HD1 ILE 58 2HD1 ILE 58 4.145 -7.422 17.100 423 3HD1 ILE 58 3HD1 ILE 58 3.377 -7.996 15.623 424 H ASN 59 H ASN 59 4.432 -1.337 15.257 425 HA ASN 59 HA ASN 59 4.594 0.735 16.105 426 1HB ASN 59 1HB ASN 59 3.670 -0.794 18.508 427 2HB ASN 59 2HB ASN 59 3.870 0.958 18.555 428 1HD2 ASN 59 1HD2 ASN 59 1.481 -0.668 18.790 429 2HD2 ASN 59 2HD2 ASN 59 0.405 -0.113 17.554 430 H GLY 60 H GLY 60 7.090 -0.753 16.154 431 1HA GLY 60 1HA GLY 60 9.110 0.530 16.422 432 2HA GLY 60 2HA GLY 60 8.467 1.141 17.942 433 H GLN 61 H GLN 61 7.540 -1.860 18.060 434 HA GLN 61 HA GLN 61 9.878 -2.650 19.601 435 1HB GLN 61 1HB GLN 61 7.998 -2.609 20.988 436 2HB GLN 61 2HB GLN 61 6.952 -3.274 19.746 437 1HG GLN 61 1HG GLN 61 7.935 -5.380 19.938 438 2HG GLN 61 2HG GLN 61 9.171 -4.793 21.053 439 1HE2 GLN 61 1HE2 GLN 61 8.545 -6.281 22.607 440 2HE2 GLN 61 2HE2 GLN 61 7.100 -6.120 23.546 441 H SER 62 H SER 62 11.159 -4.148 18.818 442 HA SER 62 HA SER 62 10.511 -5.591 16.440 443 1HB SER 62 1HB SER 62 12.781 -5.993 18.430 444 2HB SER 62 2HB SER 62 12.679 -6.732 16.837 445 HG SER 62 HG SER 62 12.553 -3.906 17.026 446 H VAL 63 H VAL 63 8.979 -7.228 16.530 447 HA VAL 63 HA VAL 63 8.742 -8.663 19.047 448 HB VAL 63 HB VAL 63 6.502 -9.259 18.229 449 1HG1 VAL 63 1HG1 VAL 63 7.110 -6.296 18.056 450 2HG1 VAL 63 2HG1 VAL 63 6.856 -7.203 19.545 451 3HG1 VAL 63 3HG1 VAL 63 5.525 -6.994 18.411 452 1HG2 VAL 63 1HG2 VAL 63 7.168 -7.466 15.903 453 2HG2 VAL 63 2HG2 VAL 63 5.628 -8.276 16.200 454 3HG2 VAL 63 3HG2 VAL 63 7.069 -9.229 15.832 455 H VAL 64 H VAL 64 10.497 -8.938 16.567 456 HA VAL 64 HA VAL 64 9.842 -11.436 15.381 457 HB VAL 64 HB VAL 64 11.267 -9.475 14.520 458 1HG1 VAL 64 1HG1 VAL 64 13.398 -10.944 15.966 459 2HG1 VAL 64 2HG1 VAL 64 12.853 -9.286 16.231 460 3HG1 VAL 64 3HG1 VAL 64 13.674 -9.718 14.721 461 1HG2 VAL 64 1HG2 VAL 64 10.797 -11.341 13.223 462 2HG2 VAL 64 2HG2 VAL 64 12.027 -12.331 14.042 463 3HG2 VAL 64 3HG2 VAL 64 12.507 -10.961 13.014 464 H ALA 65 H ALA 65 11.205 -10.612 18.321 465 HA ALA 65 HA ALA 65 12.242 -13.328 18.737 466 1HB ALA 65 1HB ALA 65 13.203 -10.737 19.953 467 2HB ALA 65 2HB ALA 65 14.033 -11.666 18.704 468 3HB ALA 65 3HB ALA 65 13.832 -12.347 20.323 469 H THR 66 H THR 66 9.599 -11.750 19.146 470 HA THR 66 HA THR 66 9.266 -11.885 21.989 471 HB THR 66 HB THR 66 7.752 -10.723 19.639 472 HG1 THR 66 HG1 THR 66 9.713 -9.873 21.329 473 1HG2 THR 66 1HG2 THR 66 7.129 -10.367 22.589 474 2HG2 THR 66 2HG2 THR 66 6.193 -11.349 21.452 475 3HG2 THR 66 3HG2 THR 66 6.315 -9.610 21.209 476 HA PRO 67 HA PRO 67 7.353 -15.916 21.459 477 1HB PRO 67 1HB PRO 67 5.498 -15.670 23.551 478 2HB PRO 67 2HB PRO 67 7.131 -16.320 23.685 479 1HG PRO 67 1HG PRO 67 6.103 -13.628 24.392 480 2HG PRO 67 2HG PRO 67 7.412 -14.562 25.120 481 1HD PRO 67 1HD PRO 67 7.859 -12.446 23.496 482 2HD PRO 67 2HD PRO 67 8.968 -13.827 23.593 483 H HIS 68 H HIS 68 5.491 -16.838 20.674 484 HA HIS 68 HA HIS 68 3.967 -15.443 18.837 485 1HB HIS 68 1HB HIS 68 4.049 -17.757 18.493 486 2HB HIS 68 2HB HIS 68 3.612 -18.121 20.153 487 HD1 HIS 68 HD1 HIS 68 1.973 -16.946 16.895 488 HD2 HIS 68 HD2 HIS 68 0.934 -18.610 20.560 489 HE1 HIS 68 HE1 HIS 68 -0.441 -17.542 16.705 490 HE2 HIS 68 HE2 HIS 68 -0.855 -18.923 18.754 491 H GLU 69 H GLU 69 2.986 -16.344 22.133 492 HA GLU 69 HA GLU 69 0.361 -15.382 21.791 493 1HB GLU 69 1HB GLU 69 1.140 -17.041 23.488 494 2HB GLU 69 2HB GLU 69 1.838 -15.678 24.368 495 1HG GLU 69 1HG GLU 69 -0.352 -14.665 24.582 496 2HG GLU 69 2HG GLU 69 -1.058 -15.996 23.659 497 H LYS 70 H LYS 70 3.362 -13.913 22.939 498 HA LYS 70 HA LYS 70 2.174 -11.570 23.916 499 1HB LYS 70 1HB LYS 70 4.877 -12.423 23.301 500 2HB LYS 70 2HB LYS 70 4.608 -10.771 22.864 501 1HG LYS 70 1HG LYS 70 3.544 -10.549 25.213 502 2HG LYS 70 2HG LYS 70 4.469 -12.021 25.553 503 1HD LYS 70 1HD LYS 70 6.499 -10.921 24.801 504 2HD LYS 70 2HD LYS 70 5.563 -9.473 24.430 505 1HE LYS 70 1HE LYS 70 5.972 -10.701 27.137 506 2HE LYS 70 2HE LYS 70 6.695 -9.210 26.486 507 1HZ LYS 70 1HZ LYS 70 3.794 -9.628 27.067 508 2HZ LYS 70 2HZ LYS 70 4.459 -8.261 26.351 509 3HZ LYS 70 3HZ LYS 70 4.882 -8.657 27.928 510 H ILE 71 H ILE 71 3.574 -12.393 20.808 511 HA ILE 71 HA ILE 71 3.248 -9.959 19.522 512 HB ILE 71 HB ILE 71 2.953 -12.714 18.285 513 1HG1 ILE 71 1HG1 ILE 71 5.411 -10.990 18.652 514 2HG1 ILE 71 2HG1 ILE 71 5.055 -12.473 19.521 515 1HG2 ILE 71 1HG2 ILE 71 3.758 -10.079 17.061 516 2HG2 ILE 71 2HG2 ILE 71 2.191 -10.874 16.815 517 3HG2 ILE 71 3HG2 ILE 71 3.680 -11.628 16.216 518 1HD1 ILE 71 1HD1 ILE 71 5.559 -12.233 16.563 519 2HD1 ILE 71 2HD1 ILE 71 5.200 -13.735 17.427 520 3HD1 ILE 71 3HD1 ILE 71 6.686 -12.845 17.771 521 H VAL 72 H VAL 72 0.958 -12.621 19.913 522 HA VAL 72 HA VAL 72 -1.087 -11.369 18.382 523 HB VAL 72 HB VAL 72 -1.214 -13.677 20.359 524 1HG1 VAL 72 1HG1 VAL 72 -3.319 -12.737 18.401 525 2HG1 VAL 72 2HG1 VAL 72 -3.425 -12.666 20.162 526 3HG1 VAL 72 3HG1 VAL 72 -3.386 -14.226 19.344 527 1HG2 VAL 72 1HG2 VAL 72 0.156 -14.094 18.397 528 2HG2 VAL 72 2HG2 VAL 72 -1.187 -13.616 17.355 529 3HG2 VAL 72 3HG2 VAL 72 -1.317 -15.070 18.352 530 H HIS 73 H HIS 73 -0.098 -11.240 21.712 531 HA HIS 73 HA HIS 73 -2.595 -10.272 22.755 532 1HB HIS 73 1HB HIS 73 -0.806 -11.554 24.064 533 2HB HIS 73 2HB HIS 73 0.142 -10.078 24.048 534 HD1 HIS 73 HD1 HIS 73 -0.301 -8.463 25.900 535 HD2 HIS 73 HD2 HIS 73 -3.325 -11.271 25.480 536 HE1 HIS 73 HE1 HIS 73 -1.841 -8.101 27.851 537 HE2 HIS 73 HE2 HIS 73 -3.821 -9.564 27.320 538 H ILE 74 H ILE 74 0.512 -8.944 21.820 539 HA ILE 74 HA ILE 74 0.110 -6.286 22.468 540 HB ILE 74 HB ILE 74 1.856 -7.659 20.421 541 1HG1 ILE 74 1HG1 ILE 74 2.652 -6.427 23.041 542 2HG1 ILE 74 2HG1 ILE 74 2.014 -8.064 22.953 543 1HG2 ILE 74 1HG2 ILE 74 1.975 -4.814 21.425 544 2HG2 ILE 74 2HG2 ILE 74 1.520 -5.314 19.789 545 3HG2 ILE 74 3HG2 ILE 74 3.170 -5.588 20.374 546 1HD1 ILE 74 1HD1 ILE 74 4.421 -7.056 21.500 547 2HD1 ILE 74 2HD1 ILE 74 3.725 -8.704 21.520 548 3HD1 ILE 74 3HD1 ILE 74 4.416 -8.026 23.001 549 H LEU 75 H LEU 75 -0.297 -8.106 19.436 550 HA LEU 75 HA LEU 75 -1.371 -6.009 17.907 551 1HB LEU 75 1HB LEU 75 -1.659 -8.990 17.656 552 2HB LEU 75 2HB LEU 75 -2.352 -7.876 16.496 553 HG LEU 75 HG LEU 75 0.588 -8.109 17.113 554 1HD1 LEU 75 1HD1 LEU 75 -1.010 -9.107 14.757 555 2HD1 LEU 75 2HD1 LEU 75 -0.271 -10.110 16.008 556 3HD1 LEU 75 3HD1 LEU 75 0.746 -9.168 14.918 557 1HD2 LEU 75 1HD2 LEU 75 -0.061 -5.868 16.357 558 2HD2 LEU 75 2HD2 LEU 75 -0.907 -6.568 14.982 559 3HD2 LEU 75 3HD2 LEU 75 0.844 -6.711 15.099 560 H SER 76 H SER 76 -2.898 -8.290 20.033 561 HA SER 76 HA SER 76 -5.565 -7.705 19.445 562 1HB SER 76 1HB SER 76 -4.966 -9.661 20.751 563 2HB SER 76 2HB SER 76 -4.267 -8.657 22.009 564 HG SER 76 HG SER 76 -7.001 -8.373 21.307 565 H ASN 77 H ASN 77 -3.225 -5.933 21.362 566 HA ASN 77 HA ASN 77 -5.322 -4.307 22.592 567 1HB ASN 77 1HB ASN 77 -2.391 -4.571 23.166 568 2HB ASN 77 2HB ASN 77 -3.315 -3.216 23.773 569 1HD2 ASN 77 1HD2 ASN 77 -4.611 -6.471 23.490 570 2HD2 ASN 77 2HD2 ASN 77 -4.717 -6.753 25.189 571 H ALA 78 H ALA 78 -2.820 -3.971 20.178 572 HA ALA 78 HA ALA 78 -2.818 -1.134 20.444 573 1HB ALA 78 1HB ALA 78 -1.125 -1.127 18.641 574 2HB ALA 78 2HB ALA 78 -1.438 -2.821 18.329 575 3HB ALA 78 3HB ALA 78 -0.732 -2.330 19.857 576 H VAL 79 H VAL 79 -3.886 0.353 19.410 577 HA VAL 79 HA VAL 79 -5.179 -0.331 16.866 578 HB VAL 79 HB VAL 79 -7.276 0.542 17.386 579 1HG1 VAL 79 1HG1 VAL 79 -6.445 -0.493 19.953 580 2HG1 VAL 79 2HG1 VAL 79 -7.058 -1.335 18.529 581 3HG1 VAL 79 3HG1 VAL 79 -8.094 -0.197 19.396 582 1HG2 VAL 79 1HG2 VAL 79 -6.518 2.731 18.086 583 2HG2 VAL 79 2HG2 VAL 79 -6.255 2.109 19.742 584 3HG2 VAL 79 3HG2 VAL 79 -7.882 2.088 18.986 585 H GLY 80 H GLY 80 -6.036 2.012 15.933 586 1HA GLY 80 1HA GLY 80 -5.497 4.167 15.357 587 2HA GLY 80 2HA GLY 80 -4.099 4.088 16.430 588 H GLU 81 H GLU 81 -2.800 4.967 14.811 589 HA GLU 81 HA GLU 81 -2.342 3.466 12.412 590 1HB GLU 81 1HB GLU 81 -0.873 5.795 13.674 591 2HB GLU 81 2HB GLU 81 -0.326 5.019 12.207 592 1HG GLU 81 1HG GLU 81 -1.484 7.022 11.616 593 2HG GLU 81 2HG GLU 81 -2.473 5.661 11.119 594 H ILE 82 H ILE 82 -1.431 1.622 12.541 595 HA ILE 82 HA ILE 82 0.550 1.082 14.660 596 HB ILE 82 HB ILE 82 -1.232 -0.850 13.162 597 1HG1 ILE 82 1HG1 ILE 82 -1.338 0.002 16.056 598 2HG1 ILE 82 2HG1 ILE 82 -2.394 0.629 14.796 599 1HG2 ILE 82 1HG2 ILE 82 0.674 -1.337 15.469 600 2HG2 ILE 82 2HG2 ILE 82 0.917 -1.868 13.806 601 3HG2 ILE 82 3HG2 ILE 82 -0.403 -2.540 14.760 602 1HD1 ILE 82 1HD1 ILE 82 -2.203 -2.256 15.594 603 2HD1 ILE 82 2HD1 ILE 82 -3.362 -1.522 14.466 604 3HD1 ILE 82 3HD1 ILE 82 -3.412 -1.116 16.174 605 H HIS 83 H HIS 83 2.507 0.914 13.970 606 HA HIS 83 HA HIS 83 3.046 0.359 11.136 607 1HB HIS 83 1HB HIS 83 4.789 1.404 13.376 608 2HB HIS 83 2HB HIS 83 5.442 0.883 11.836 609 HD1 HIS 83 HD1 HIS 83 5.893 2.754 10.359 610 HD2 HIS 83 HD2 HIS 83 2.730 3.585 12.899 611 HE1 HIS 83 HE1 HIS 83 5.163 5.090 9.783 612 HE2 HIS 83 HE2 HIS 83 3.659 5.649 11.705 613 H MET 84 H MET 84 3.716 -1.555 10.539 614 HA MET 84 HA MET 84 5.138 -3.197 12.503 615 1HB MET 84 1HB MET 84 3.272 -4.235 10.397 616 2HB MET 84 2HB MET 84 4.171 -5.196 11.550 617 1HG MET 84 1HG MET 84 2.806 -4.168 13.351 618 2HG MET 84 2HG MET 84 1.839 -3.380 12.096 619 1HE MET 84 1HE MET 84 2.505 -6.058 10.067 620 2HE MET 84 2HE MET 84 1.159 -4.953 9.925 621 3HE MET 84 3HE MET 84 0.862 -6.713 10.057 622 H LYS 85 H LYS 85 6.638 -4.662 11.458 623 HA LYS 85 HA LYS 85 7.354 -3.776 8.762 624 1HB LYS 85 1HB LYS 85 9.213 -4.525 11.043 625 2HB LYS 85 2HB LYS 85 9.720 -4.076 9.420 626 1HG LYS 85 1HG LYS 85 8.082 -2.246 11.064 627 2HG LYS 85 2HG LYS 85 9.836 -2.325 11.320 628 1HD LYS 85 1HD LYS 85 8.732 -1.985 8.580 629 2HD LYS 85 2HD LYS 85 8.793 -0.564 9.650 630 1HE LYS 85 1HE LYS 85 11.168 -0.877 9.867 631 2HE LYS 85 2HE LYS 85 11.135 -2.339 8.903 632 1HZ LYS 85 1HZ LYS 85 10.171 -0.847 7.086 633 2HZ LYS 85 2HZ LYS 85 11.804 -0.602 7.495 634 3HZ LYS 85 3HZ LYS 85 10.628 0.461 8.071 635 H THR 86 H THR 86 7.201 -5.461 7.498 636 HA THR 86 HA THR 86 7.478 -8.092 8.767 637 HB THR 86 HB THR 86 5.811 -9.022 7.312 638 HG1 THR 86 HG1 THR 86 5.712 -6.420 6.133 639 1HG2 THR 86 1HG2 THR 86 4.707 -6.398 8.323 640 2HG2 THR 86 2HG2 THR 86 5.073 -7.780 9.327 641 3HG2 THR 86 3HG2 THR 86 3.805 -7.905 8.092 642 H MET 87 H MET 87 8.554 -9.695 7.619 643 HA MET 87 HA MET 87 9.939 -8.766 5.178 644 1HB MET 87 1HB MET 87 10.961 -10.777 7.230 645 2HB MET 87 2HB MET 87 11.806 -10.293 5.769 646 1HG MET 87 1HG MET 87 11.809 -7.964 6.717 647 2HG MET 87 2HG MET 87 11.266 -8.705 8.225 648 1HE MET 87 1HE MET 87 12.708 -10.692 9.466 649 2HE MET 87 2HE MET 87 14.321 -11.172 8.944 650 3HE MET 87 3HE MET 87 12.924 -11.560 7.945 651 HA PRO 88 HA PRO 88 8.118 -12.405 3.221 652 1HB PRO 88 1HB PRO 88 10.762 -13.351 2.280 653 2HB PRO 88 2HB PRO 88 9.358 -12.847 1.333 654 1HG PRO 88 1HG PRO 88 11.512 -11.308 1.435 655 2HG PRO 88 2HG PRO 88 9.894 -10.586 1.507 656 1HD PRO 88 1HD PRO 88 11.793 -11.187 3.751 657 2HD PRO 88 2HD PRO 88 10.893 -9.686 3.419 658 H ALA 89 H ALA 89 9.397 -12.674 5.888 659 HA ALA 89 HA ALA 89 9.500 -14.114 7.565 660 1HB ALA 89 1HB ALA 89 8.571 -16.331 7.431 661 2HB ALA 89 2HB ALA 89 8.604 -16.259 5.655 662 3HB ALA 89 3HB ALA 89 7.575 -15.150 6.576 663 H ALA 90 H ALA 90 11.558 -14.120 5.153 664 HA ALA 90 HA ALA 90 13.346 -16.039 6.401 665 1HB ALA 90 1HB ALA 90 14.748 -15.667 4.407 666 2HB ALA 90 2HB ALA 90 13.586 -14.487 3.809 667 3HB ALA 90 3HB ALA 90 13.127 -16.184 3.947 Start of MODEL 11 1 H GLU 7 1H GLU 7 17.777 2.080 8.467 2 HA GLU 7 HA GLU 7 16.924 3.693 6.166 3 1HB GLU 7 1HB GLU 7 19.301 3.977 7.031 4 2HB GLU 7 2HB GLU 7 19.538 2.265 6.755 5 1HG GLU 7 1HG GLU 7 19.041 2.654 4.346 6 2HG GLU 7 2HG GLU 7 19.002 4.383 4.694 7 H THR 8 H THR 8 17.232 2.268 4.151 8 HA THR 8 HA THR 8 15.900 -0.196 4.482 9 HB THR 8 HB THR 8 16.520 -0.376 1.968 10 HG1 THR 8 HG1 THR 8 18.277 1.216 2.163 11 1HG2 THR 8 1HG2 THR 8 14.803 1.291 1.370 12 2HG2 THR 8 2HG2 THR 8 14.922 1.992 2.984 13 3HG2 THR 8 3HG2 THR 8 14.313 0.353 2.780 14 H MET 9 H MET 9 17.114 -1.578 5.734 15 HA MET 9 HA MET 9 19.869 -2.161 5.107 16 1HB MET 9 1HB MET 9 19.097 -2.249 7.438 17 2HB MET 9 2HB MET 9 17.956 -3.519 7.025 18 1HG MET 9 1HG MET 9 19.858 -4.979 6.424 19 2HG MET 9 2HG MET 9 20.961 -3.709 6.948 20 1HE MET 9 1HE MET 9 21.345 -6.369 9.794 21 2HE MET 9 2HE MET 9 22.181 -5.381 8.599 22 3HE MET 9 3HE MET 9 21.116 -6.681 8.075 23 H GLY 10 H GLY 10 16.865 -4.008 5.136 24 1HA GLY 10 1HA GLY 10 17.874 -5.600 2.908 25 2HA GLY 10 2HA GLY 10 17.332 -6.419 4.370 26 H ASN 11 H ASN 11 15.721 -7.436 3.244 27 HA ASN 11 HA ASN 11 13.755 -5.913 1.793 28 1HB ASN 11 1HB ASN 11 13.999 -8.873 2.348 29 2HB ASN 11 2HB ASN 11 12.684 -8.162 1.431 30 1HD2 ASN 11 1HD2 ASN 11 14.733 -10.100 0.638 31 2HD2 ASN 11 2HD2 ASN 11 15.542 -9.406 -0.709 32 H VAL 12 H VAL 12 12.642 -4.719 3.091 33 HA VAL 12 HA VAL 12 10.999 -6.022 5.066 34 HB VAL 12 HB VAL 12 12.681 -3.544 5.484 35 1HG1 VAL 12 1HG1 VAL 12 11.445 -3.189 7.605 36 2HG1 VAL 12 2HG1 VAL 12 10.366 -4.530 7.167 37 3HG1 VAL 12 3HG1 VAL 12 10.360 -3.060 6.211 38 1HG2 VAL 12 1HG2 VAL 12 13.697 -5.679 6.148 39 2HG2 VAL 12 2HG2 VAL 12 12.294 -5.980 7.188 40 3HG2 VAL 12 3HG2 VAL 12 13.371 -4.637 7.539 41 H THR 13 H THR 13 9.053 -5.402 4.932 42 HA THR 13 HA THR 13 8.250 -3.133 3.282 43 HB THR 13 HB THR 13 7.227 -5.927 3.569 44 HG1 THR 13 HG1 THR 13 8.314 -4.413 1.476 45 1HG2 THR 13 1HG2 THR 13 5.887 -3.626 2.131 46 2HG2 THR 13 2HG2 THR 13 5.363 -4.368 3.643 47 3HG2 THR 13 3HG2 THR 13 5.320 -5.311 2.147 48 H THR 14 H THR 14 7.322 -1.749 4.460 49 HA THR 14 HA THR 14 6.661 -2.400 7.163 50 HB THR 14 HB THR 14 6.477 0.194 5.705 51 HG1 THR 14 HG1 THR 14 8.611 0.335 5.898 52 1HG2 THR 14 1HG2 THR 14 6.653 -0.532 8.636 53 2HG2 THR 14 2HG2 THR 14 5.301 0.239 7.818 54 3HG2 THR 14 3HG2 THR 14 6.819 1.122 8.043 55 H VAL 15 H VAL 15 4.672 -2.290 7.999 56 HA VAL 15 HA VAL 15 2.415 -1.855 6.206 57 HB VAL 15 HB VAL 15 2.753 -3.838 8.421 58 1HG1 VAL 15 1HG1 VAL 15 0.255 -3.134 6.850 59 2HG1 VAL 15 2HG1 VAL 15 0.540 -2.807 8.569 60 3HG1 VAL 15 3HG1 VAL 15 0.429 -4.477 7.990 61 1HG2 VAL 15 1HG2 VAL 15 2.160 -4.037 5.523 62 2HG2 VAL 15 2HG2 VAL 15 2.073 -5.427 6.606 63 3HG2 VAL 15 3HG2 VAL 15 3.636 -4.581 6.328 64 H LEU 16 H LEU 16 1.119 -0.361 6.851 65 HA LEU 16 HA LEU 16 1.175 0.266 9.675 66 1HB LEU 16 1HB LEU 16 2.083 2.099 8.319 67 2HB LEU 16 2HB LEU 16 0.546 2.190 7.466 68 HG LEU 16 HG LEU 16 -0.457 2.446 9.828 69 1HD1 LEU 16 1HD1 LEU 16 2.330 3.396 10.360 70 2HD1 LEU 16 2HD1 LEU 16 1.554 1.983 11.077 71 3HD1 LEU 16 3HD1 LEU 16 0.934 3.603 11.416 72 1HD2 LEU 16 1HD2 LEU 16 -0.257 4.800 9.702 73 2HD2 LEU 16 2HD2 LEU 16 -0.539 4.045 8.104 74 3HD2 LEU 16 3HD2 LEU 16 1.080 4.639 8.534 75 H ILE 17 H ILE 17 -0.506 -0.222 10.590 76 HA ILE 17 HA ILE 17 -3.093 -0.461 9.222 77 HB ILE 17 HB ILE 17 -1.752 -1.758 11.539 78 1HG1 ILE 17 1HG1 ILE 17 -2.132 -2.900 9.434 79 2HG1 ILE 17 2HG1 ILE 17 -2.975 -3.693 10.766 80 1HG2 ILE 17 1HG2 ILE 17 -3.620 -0.613 12.688 81 2HG2 ILE 17 2HG2 ILE 17 -3.841 -2.368 12.665 82 3HG2 ILE 17 3HG2 ILE 17 -4.747 -1.349 11.549 83 1HD1 ILE 17 1HD1 ILE 17 -4.137 -1.973 8.615 84 2HD1 ILE 17 2HD1 ILE 17 -4.917 -2.270 10.143 85 3HD1 ILE 17 3HD1 ILE 17 -4.559 -3.640 9.075 86 H ARG 18 H ARG 18 -4.609 0.995 9.545 87 HA ARG 18 HA ARG 18 -4.347 2.571 11.984 88 1HB ARG 18 1HB ARG 18 -5.646 3.271 9.352 89 2HB ARG 18 2HB ARG 18 -5.927 4.198 10.819 90 1HG ARG 18 1HG ARG 18 -3.190 3.746 9.659 91 2HG ARG 18 2HG ARG 18 -4.186 5.167 9.262 92 1HD ARG 18 1HD ARG 18 -3.145 4.321 11.947 93 2HD ARG 18 2HD ARG 18 -2.515 5.611 10.931 94 HE ARG 18 HE ARG 18 -5.197 5.641 12.148 95 1HH1 ARG 18 1HH1 ARG 18 -2.321 7.422 11.012 96 2HH1 ARG 18 2HH1 ARG 18 -2.737 8.842 11.831 97 1HH2 ARG 18 1HH2 ARG 18 -5.759 7.610 13.204 98 2HH2 ARG 18 2HH2 ARG 18 -4.732 8.985 13.057 99 H ARG 19 H ARG 19 -5.325 1.487 13.308 100 HA ARG 19 HA ARG 19 -7.896 0.225 12.793 101 1HB ARG 19 1HB ARG 19 -6.214 -1.110 13.794 102 2HB ARG 19 2HB ARG 19 -5.905 0.100 15.022 103 1HG ARG 19 1HG ARG 19 -8.023 -0.300 16.012 104 2HG ARG 19 2HG ARG 19 -8.463 -1.462 14.742 105 1HD ARG 19 1HD ARG 19 -6.441 -2.769 15.393 106 2HD ARG 19 2HD ARG 19 -6.246 -1.684 16.768 107 HE ARG 19 HE ARG 19 -8.831 -2.705 16.697 108 1HH1 ARG 19 1HH1 ARG 19 -5.598 -3.404 17.762 109 2HH1 ARG 19 2HH1 ARG 19 -5.934 -4.901 18.469 110 1HH2 ARG 19 1HH2 ARG 19 -9.412 -4.795 17.723 111 2HH2 ARG 19 2HH2 ARG 19 -8.169 -5.727 18.437 112 HA PRO 20 HA PRO 20 -9.785 3.902 14.691 113 1HB PRO 20 1HB PRO 20 -12.196 2.189 14.463 114 2HB PRO 20 2HB PRO 20 -11.947 3.852 13.919 115 1HG PRO 20 1HG PRO 20 -11.991 1.879 12.146 116 2HG PRO 20 2HG PRO 20 -10.804 3.190 11.997 117 1HD PRO 20 1HD PRO 20 -10.423 0.405 13.047 118 2HD PRO 20 2HD PRO 20 -9.379 1.361 11.970 119 H ASP 21 H ASP 21 -10.473 0.556 15.814 120 HA ASP 21 HA ASP 21 -10.156 1.311 18.549 121 1HB ASP 21 1HB ASP 21 -12.611 2.025 17.829 122 2HB ASP 21 2HB ASP 21 -12.882 0.280 17.908 123 H LEU 22 H LEU 22 -11.197 -0.716 19.843 124 HA LEU 22 HA LEU 22 -9.643 -2.956 18.944 125 1HB LEU 22 1HB LEU 22 -11.420 -2.612 21.326 126 2HB LEU 22 2HB LEU 22 -10.291 -3.936 21.056 127 HG LEU 22 HG LEU 22 -9.610 -1.046 21.359 128 1HD1 LEU 22 1HD1 LEU 22 -9.094 -3.450 23.082 129 2HD1 LEU 22 2HD1 LEU 22 -10.266 -2.173 23.430 130 3HD1 LEU 22 3HD1 LEU 22 -8.526 -1.813 23.454 131 1HD2 LEU 22 1HD2 LEU 22 -8.145 -2.091 19.810 132 2HD2 LEU 22 2HD2 LEU 22 -7.821 -3.441 20.886 133 3HD2 LEU 22 3HD2 LEU 22 -7.216 -1.825 21.273 134 H ARG 23 H ARG 23 -12.806 -1.919 18.661 135 HA ARG 23 HA ARG 23 -14.091 -4.441 18.349 136 1HB ARG 23 1HB ARG 23 -14.890 -1.676 17.421 137 2HB ARG 23 2HB ARG 23 -15.850 -3.095 17.046 138 1HG ARG 23 1HG ARG 23 -16.840 -2.036 18.930 139 2HG ARG 23 2HG ARG 23 -16.052 -3.501 19.507 140 1HD ARG 23 1HD ARG 23 -14.123 -2.115 20.214 141 2HD ARG 23 2HD ARG 23 -15.030 -0.684 19.727 142 HE ARG 23 HE ARG 23 -16.685 -2.020 21.417 143 1HH1 ARG 23 1HH1 ARG 23 -13.470 -0.484 21.668 144 2HH1 ARG 23 2HH1 ARG 23 -13.549 -0.402 23.383 145 1HH2 ARG 23 1HH2 ARG 23 -16.724 -1.805 23.762 146 2HH2 ARG 23 2HH2 ARG 23 -15.403 -1.089 24.569 147 H TYR 24 H TYR 24 -11.938 -2.721 16.457 148 HA TYR 24 HA TYR 24 -12.695 -4.170 14.033 149 1HB TYR 24 1HB TYR 24 -10.759 -1.911 14.555 150 2HB TYR 24 2HB TYR 24 -10.756 -2.817 13.049 151 HD1 TYR 24 HD1 TYR 24 -12.839 -0.621 15.206 152 HD2 TYR 24 HD2 TYR 24 -12.262 -2.301 11.341 153 HE1 TYR 24 HE1 TYR 24 -14.545 0.894 14.290 154 HE2 TYR 24 HE2 TYR 24 -13.966 -0.796 10.423 155 HH TYR 24 HH TYR 24 -15.121 1.862 12.155 156 H GLN 25 H GLN 25 -11.677 -6.041 13.717 157 HA GLN 25 HA GLN 25 -9.283 -6.463 15.326 158 1HB GLN 25 1HB GLN 25 -11.062 -8.473 13.973 159 2HB GLN 25 2HB GLN 25 -9.533 -8.887 14.731 160 1HG GLN 25 1HG GLN 25 -10.414 -7.971 16.864 161 2HG GLN 25 2HG GLN 25 -11.970 -7.745 16.056 162 1HE2 GLN 25 1HE2 GLN 25 -9.695 -10.043 17.317 163 2HE2 GLN 25 2HE2 GLN 25 -10.723 -11.414 17.237 164 H LEU 26 H LEU 26 -7.552 -7.648 14.428 165 HA LEU 26 HA LEU 26 -6.323 -6.201 12.407 166 1HB LEU 26 1HB LEU 26 -5.575 -9.030 13.174 167 2HB LEU 26 2HB LEU 26 -4.538 -7.824 12.466 168 HG LEU 26 HG LEU 26 -3.800 -7.969 14.635 169 1HD1 LEU 26 1HD1 LEU 26 -5.694 -5.668 14.709 170 2HD1 LEU 26 2HD1 LEU 26 -4.024 -5.677 14.124 171 3HD1 LEU 26 3HD1 LEU 26 -4.371 -5.947 15.836 172 1HD2 LEU 26 1HD2 LEU 26 -5.569 -9.381 15.565 173 2HD2 LEU 26 2HD2 LEU 26 -6.626 -7.979 15.753 174 3HD2 LEU 26 3HD2 LEU 26 -5.129 -8.084 16.657 175 H GLY 27 H GLY 27 -7.147 -9.657 12.152 176 1HA GLY 27 1HA GLY 27 -8.514 -10.496 10.395 177 2HA GLY 27 2HA GLY 27 -8.058 -9.106 9.420 178 H PHE 28 H PHE 28 -5.803 -11.065 11.263 179 HA PHE 28 HA PHE 28 -5.152 -12.645 8.990 180 1HB PHE 28 1HB PHE 28 -2.876 -11.937 8.616 181 2HB PHE 28 2HB PHE 28 -3.855 -10.505 8.522 182 HD1 PHE 28 HD1 PHE 28 -1.096 -12.121 10.141 183 HD2 PHE 28 HD2 PHE 28 -3.879 -8.931 10.512 184 HE1 PHE 28 HE1 PHE 28 0.376 -11.040 11.783 185 HE2 PHE 28 HE2 PHE 28 -2.403 -7.837 12.155 186 HZ PHE 28 HZ PHE 28 -0.279 -8.892 12.787 187 H SER 29 H SER 29 -3.640 -14.254 9.503 188 HA SER 29 HA SER 29 -3.624 -14.903 12.384 189 1HB SER 29 1HB SER 29 -3.237 -16.741 10.021 190 2HB SER 29 2HB SER 29 -3.472 -17.219 11.702 191 HG SER 29 HG SER 29 -5.241 -16.550 9.774 192 H VAL 30 H VAL 30 -1.612 -14.907 13.353 193 HA VAL 30 HA VAL 30 0.655 -15.104 11.526 194 HB VAL 30 HB VAL 30 0.087 -12.888 13.001 195 1HG1 VAL 30 1HG1 VAL 30 0.397 -13.962 15.164 196 2HG1 VAL 30 2HG1 VAL 30 1.552 -12.652 14.875 197 3HG1 VAL 30 3HG1 VAL 30 2.070 -14.334 14.698 198 1HG2 VAL 30 1HG2 VAL 30 1.719 -12.936 11.265 199 2HG2 VAL 30 2HG2 VAL 30 2.827 -13.860 12.284 200 3HG2 VAL 30 3HG2 VAL 30 2.425 -12.197 12.707 201 H GLN 31 H GLN 31 2.191 -16.582 11.990 202 HA GLN 31 HA GLN 31 1.909 -18.039 14.504 203 1HB GLN 31 1HB GLN 31 2.557 -20.102 13.325 204 2HB GLN 31 2HB GLN 31 1.080 -19.427 12.674 205 1HG GLN 31 1HG GLN 31 2.387 -18.500 10.782 206 2HG GLN 31 2HG GLN 31 3.820 -19.292 11.438 207 1HE2 GLN 31 1HE2 GLN 31 4.130 -20.657 9.726 208 2HE2 GLN 31 2HE2 GLN 31 3.047 -21.968 9.387 209 H ASN 32 H ASN 32 3.536 -17.632 15.749 210 HA ASN 32 HA ASN 32 5.560 -17.023 16.577 211 1HB ASN 32 1HB ASN 32 6.552 -18.612 14.194 212 2HB ASN 32 2HB ASN 32 7.627 -17.967 15.424 213 1HD2 ASN 32 1HD2 ASN 32 7.168 -20.733 14.659 214 2HD2 ASN 32 2HD2 ASN 32 6.604 -21.535 16.072 215 H GLY 33 H GLY 33 4.294 -15.404 14.324 216 1HA GLY 33 1HA GLY 33 4.983 -13.091 14.084 217 2HA GLY 33 2HA GLY 33 6.632 -13.677 13.881 218 H ILE 34 H ILE 34 4.924 -15.876 12.246 219 HA ILE 34 HA ILE 34 5.255 -14.363 9.737 220 HB ILE 34 HB ILE 34 5.244 -17.394 10.103 221 1HG1 ILE 34 1HG1 ILE 34 7.559 -17.226 9.082 222 2HG1 ILE 34 2HG1 ILE 34 7.452 -15.489 9.268 223 1HG2 ILE 34 1HG2 ILE 34 5.518 -15.736 7.618 224 2HG2 ILE 34 2HG2 ILE 34 4.140 -16.760 8.028 225 3HG2 ILE 34 3HG2 ILE 34 5.719 -17.492 7.676 226 1HD1 ILE 34 1HD1 ILE 34 8.800 -16.453 10.974 227 2HD1 ILE 34 2HD1 ILE 34 7.486 -17.527 11.480 228 3HD1 ILE 34 3HD1 ILE 34 7.338 -15.779 11.695 229 H ILE 35 H ILE 35 3.665 -13.760 8.684 230 HA ILE 35 HA ILE 35 0.984 -14.156 9.423 231 HB ILE 35 HB ILE 35 2.177 -13.115 6.845 232 1HG1 ILE 35 1HG1 ILE 35 1.131 -11.574 9.215 233 2HG1 ILE 35 2HG1 ILE 35 2.816 -12.059 9.066 234 1HG2 ILE 35 1HG2 ILE 35 -0.621 -12.795 7.989 235 2HG2 ILE 35 2HG2 ILE 35 -0.194 -13.726 6.554 236 3HG2 ILE 35 3HG2 ILE 35 -0.001 -11.980 6.550 237 1HD1 ILE 35 1HD1 ILE 35 3.090 -10.734 7.136 238 2HD1 ILE 35 2HD1 ILE 35 2.283 -9.728 8.361 239 3HD1 ILE 35 3HD1 ILE 35 1.361 -10.464 7.034 240 H CYS 36 H CYS 36 -0.075 -15.941 9.176 241 HA CYS 36 HA CYS 36 0.760 -17.980 7.280 242 1HB CYS 36 1HB CYS 36 0.391 -18.441 9.735 243 2HB CYS 36 2HB CYS 36 -1.314 -18.140 9.468 244 HG CYS 36 HG CYS 36 0.146 -20.903 9.417 245 H SER 37 H SER 37 -2.083 -15.952 8.045 246 HA SER 37 HA SER 37 -3.018 -16.346 5.365 247 1HB SER 37 1HB SER 37 -5.272 -17.069 5.987 248 2HB SER 37 2HB SER 37 -4.100 -18.233 6.601 249 HG SER 37 HG SER 37 -5.931 -16.812 7.854 250 H LEU 38 H LEU 38 -4.690 -14.797 4.835 251 HA LEU 38 HA LEU 38 -4.849 -12.540 6.698 252 1HB LEU 38 1HB LEU 38 -3.210 -12.029 4.979 253 2HB LEU 38 2HB LEU 38 -4.333 -12.509 3.725 254 HG LEU 38 HG LEU 38 -5.766 -10.574 4.297 255 1HD1 LEU 38 1HD1 LEU 38 -4.904 -8.832 5.760 256 2HD1 LEU 38 2HD1 LEU 38 -3.524 -9.847 6.163 257 3HD1 LEU 38 3HD1 LEU 38 -5.152 -10.336 6.638 258 1HD2 LEU 38 1HD2 LEU 38 -4.062 -10.399 2.549 259 2HD2 LEU 38 2HD2 LEU 38 -2.906 -9.875 3.783 260 3HD2 LEU 38 3HD2 LEU 38 -4.309 -8.875 3.412 261 H MET 39 H MET 39 -6.882 -11.786 6.930 262 HA MET 39 HA MET 39 -9.009 -13.103 5.476 263 1HB MET 39 1HB MET 39 -9.228 -12.853 7.910 264 2HB MET 39 2HB MET 39 -9.064 -11.109 7.755 265 1HG MET 39 1HG MET 39 -11.155 -11.055 6.456 266 2HG MET 39 2HG MET 39 -11.327 -12.795 6.687 267 1HE MET 39 1HE MET 39 -14.117 -11.336 9.026 268 2HE MET 39 2HE MET 39 -13.762 -12.467 7.724 269 3HE MET 39 3HE MET 39 -13.617 -10.731 7.450 270 H ARG 40 H ARG 40 -9.803 -12.258 3.747 271 HA ARG 40 HA ARG 40 -9.038 -9.673 2.820 272 1HB ARG 40 1HB ARG 40 -9.500 -11.576 1.281 273 2HB ARG 40 2HB ARG 40 -11.185 -11.537 1.786 274 1HG ARG 40 1HG ARG 40 -9.915 -9.133 0.496 275 2HG ARG 40 2HG ARG 40 -10.529 -10.459 -0.482 276 1HD ARG 40 1HD ARG 40 -12.748 -10.114 0.275 277 2HD ARG 40 2HD ARG 40 -12.214 -9.077 1.592 278 HE ARG 40 HE ARG 40 -11.562 -7.453 -0.119 279 1HH1 ARG 40 1HH1 ARG 40 -13.947 -9.907 -1.029 280 2HH1 ARG 40 2HH1 ARG 40 -14.771 -8.911 -2.121 281 1HH2 ARG 40 1HH2 ARG 40 -12.708 -6.058 -1.587 282 2HH2 ARG 40 2HH2 ARG 40 -14.066 -6.638 -2.420 283 H GLY 41 H GLY 41 -10.132 -7.817 2.895 284 1HA GLY 41 1HA GLY 41 -11.982 -6.419 3.277 285 2HA GLY 41 2HA GLY 41 -12.849 -7.784 3.963 286 H GLY 42 H GLY 42 -9.914 -7.956 5.268 287 1HA GLY 42 1HA GLY 42 -10.825 -6.685 7.739 288 2HA GLY 42 2HA GLY 42 -9.472 -7.803 7.582 289 H ILE 43 H ILE 43 -9.173 -5.465 9.013 290 HA ILE 43 HA ILE 43 -8.213 -3.358 7.420 291 HB ILE 43 HB ILE 43 -6.747 -2.771 9.473 292 1HG1 ILE 43 1HG1 ILE 43 -8.765 -4.591 10.783 293 2HG1 ILE 43 2HG1 ILE 43 -7.032 -4.865 10.669 294 1HG2 ILE 43 1HG2 ILE 43 -9.706 -2.397 9.430 295 2HG2 ILE 43 2HG2 ILE 43 -8.422 -1.367 8.761 296 3HG2 ILE 43 3HG2 ILE 43 -8.578 -1.547 10.501 297 1HD1 ILE 43 1HD1 ILE 43 -6.622 -2.920 12.074 298 2HD1 ILE 43 2HD1 ILE 43 -7.691 -4.065 12.882 299 3HD1 ILE 43 3HD1 ILE 43 -8.353 -2.601 12.157 300 H ALA 44 H ALA 44 -6.575 -6.194 8.638 301 HA ALA 44 HA ALA 44 -3.956 -5.398 8.223 302 1HB ALA 44 1HB ALA 44 -3.438 -7.786 8.095 303 2HB ALA 44 2HB ALA 44 -5.146 -8.146 7.854 304 3HB ALA 44 3HB ALA 44 -4.601 -7.442 9.370 305 H GLU 45 H GLU 45 -6.285 -6.662 5.925 306 HA GLU 45 HA GLU 45 -4.488 -6.838 3.760 307 1HB GLU 45 1HB GLU 45 -6.586 -8.044 3.750 308 2HB GLU 45 2HB GLU 45 -7.484 -6.538 3.838 309 1HG GLU 45 1HG GLU 45 -6.727 -5.906 1.648 310 2HG GLU 45 2HG GLU 45 -5.712 -7.347 1.560 311 H ARG 46 H ARG 46 -6.666 -4.359 4.892 312 HA ARG 46 HA ARG 46 -6.256 -2.465 2.801 313 1HB ARG 46 1HB ARG 46 -6.783 -1.702 5.667 314 2HB ARG 46 2HB ARG 46 -7.222 -0.811 4.223 315 1HG ARG 46 1HG ARG 46 -8.851 -2.606 3.688 316 2HG ARG 46 2HG ARG 46 -8.459 -3.362 5.240 317 1HD ARG 46 1HD ARG 46 -8.966 -1.061 6.251 318 2HD ARG 46 2HD ARG 46 -9.747 -0.706 4.716 319 HE ARG 46 HE ARG 46 -10.593 -2.682 6.705 320 1HH1 ARG 46 1HH1 ARG 46 -11.327 -1.170 3.569 321 2HH1 ARG 46 2HH1 ARG 46 -13.002 -1.422 3.748 322 1HH2 ARG 46 1HH2 ARG 46 -12.810 -2.951 6.895 323 2HH2 ARG 46 2HH2 ARG 46 -13.877 -2.373 5.665 324 H GLY 47 H GLY 47 -4.597 -3.080 5.834 325 1HA GLY 47 1HA GLY 47 -2.830 -0.862 5.769 326 2HA GLY 47 2HA GLY 47 -2.629 -2.312 6.738 327 H GLY 48 H GLY 48 -2.749 -3.941 4.219 328 1HA GLY 48 1HA GLY 48 -1.362 -4.232 2.285 329 2HA GLY 48 2HA GLY 48 -0.179 -3.164 3.025 330 H VAL 49 H VAL 49 -1.728 -5.676 4.833 331 HA VAL 49 HA VAL 49 0.770 -6.959 5.400 332 HB VAL 49 HB VAL 49 -2.111 -7.526 6.126 333 1HG1 VAL 49 1HG1 VAL 49 -1.360 -9.196 7.722 334 2HG1 VAL 49 2HG1 VAL 49 0.304 -8.854 7.291 335 3HG1 VAL 49 3HG1 VAL 49 -0.762 -9.640 6.112 336 1HG2 VAL 49 1HG2 VAL 49 -1.218 -5.560 7.181 337 2HG2 VAL 49 2HG2 VAL 49 0.174 -6.476 7.759 338 3HG2 VAL 49 3HG2 VAL 49 -1.430 -6.825 8.388 339 H ARG 50 H ARG 50 1.412 -9.021 4.645 340 HA ARG 50 HA ARG 50 -0.240 -10.377 2.621 341 1HB ARG 50 1HB ARG 50 2.689 -9.716 2.249 342 2HB ARG 50 2HB ARG 50 1.702 -10.691 1.178 343 1HG ARG 50 1HG ARG 50 1.200 -7.832 1.801 344 2HG ARG 50 2HG ARG 50 2.136 -8.387 0.387 345 1HD ARG 50 1HD ARG 50 -0.737 -9.086 0.999 346 2HD ARG 50 2HD ARG 50 -0.253 -7.775 -0.064 347 HE ARG 50 HE ARG 50 0.958 -10.157 -0.936 348 1HH1 ARG 50 1HH1 ARG 50 -2.298 -8.808 -0.623 349 2HH1 ARG 50 2HH1 ARG 50 -2.890 -9.531 -2.052 350 1HH2 ARG 50 1HH2 ARG 50 0.160 -11.090 -2.936 351 2HH2 ARG 50 2HH2 ARG 50 -1.444 -10.816 -3.431 352 H VAL 51 H VAL 51 0.065 -12.349 2.444 353 HA VAL 51 HA VAL 51 0.865 -13.780 4.798 354 HB VAL 51 HB VAL 51 -0.260 -14.536 2.141 355 1HG1 VAL 51 1HG1 VAL 51 0.183 -16.378 4.528 356 2HG1 VAL 51 2HG1 VAL 51 1.049 -16.472 2.993 357 3HG1 VAL 51 3HG1 VAL 51 -0.680 -16.821 3.051 358 1HG2 VAL 51 1HG2 VAL 51 -1.745 -13.357 3.579 359 2HG2 VAL 51 2HG2 VAL 51 -1.440 -14.508 4.888 360 3HG2 VAL 51 3HG2 VAL 51 -2.280 -15.031 3.425 361 H GLY 52 H GLY 52 2.528 -15.282 5.008 362 1HA GLY 52 1HA GLY 52 4.469 -16.410 4.415 363 2HA GLY 52 2HA GLY 52 4.353 -15.712 2.797 364 H HIS 53 H HIS 53 3.975 -13.630 5.410 365 HA HIS 53 HA HIS 53 6.704 -12.640 5.072 366 1HB HIS 53 1HB HIS 53 4.131 -11.152 5.444 367 2HB HIS 53 2HB HIS 53 5.662 -10.452 5.962 368 HD1 HIS 53 HD1 HIS 53 6.676 -8.971 4.250 369 HD2 HIS 53 HD2 HIS 53 4.334 -11.941 2.519 370 HE1 HIS 53 HE1 HIS 53 6.688 -8.501 1.802 371 HE2 HIS 53 HE2 HIS 53 5.462 -10.404 0.763 372 H ARG 54 H ARG 54 7.802 -12.005 6.832 373 HA ARG 54 HA ARG 54 6.808 -13.084 9.372 374 1HB ARG 54 1HB ARG 54 8.883 -14.096 8.479 375 2HB ARG 54 2HB ARG 54 9.625 -12.509 8.426 376 1HG ARG 54 1HG ARG 54 9.537 -12.368 10.849 377 2HG ARG 54 2HG ARG 54 8.718 -13.933 10.924 378 1HD ARG 54 1HD ARG 54 10.658 -14.985 9.853 379 2HD ARG 54 2HD ARG 54 11.471 -13.427 9.803 380 HE ARG 54 HE ARG 54 10.651 -14.102 12.422 381 1HH1 ARG 54 1HH1 ARG 54 13.091 -14.942 9.996 382 2HH1 ARG 54 2HH1 ARG 54 14.322 -15.311 11.109 383 1HH2 ARG 54 1HH2 ARG 54 12.387 -14.615 14.014 384 2HH2 ARG 54 2HH2 ARG 54 13.918 -15.084 13.418 385 H ILE 55 H ILE 55 6.114 -11.587 10.662 386 HA ILE 55 HA ILE 55 6.696 -8.824 10.268 387 HB ILE 55 HB ILE 55 5.353 -10.188 12.604 388 1HG1 ILE 55 1HG1 ILE 55 4.220 -8.977 10.079 389 2HG1 ILE 55 2HG1 ILE 55 4.132 -10.657 10.598 390 1HG2 ILE 55 1HG2 ILE 55 6.172 -7.949 13.164 391 2HG2 ILE 55 2HG2 ILE 55 4.410 -7.963 13.072 392 3HG2 ILE 55 3HG2 ILE 55 5.357 -7.289 11.746 393 1HD1 ILE 55 1HD1 ILE 55 2.917 -8.317 11.944 394 2HD1 ILE 55 2HD1 ILE 55 2.777 -10.014 12.455 395 3HD1 ILE 55 3HD1 ILE 55 2.052 -9.476 10.916 396 H ILE 56 H ILE 56 8.321 -7.787 11.004 397 HA ILE 56 HA ILE 56 9.784 -9.044 13.119 398 HB ILE 56 HB ILE 56 11.898 -8.051 12.300 399 1HG1 ILE 56 1HG1 ILE 56 11.758 -7.232 9.797 400 2HG1 ILE 56 2HG1 ILE 56 10.116 -6.788 10.235 401 1HG2 ILE 56 1HG2 ILE 56 10.380 -9.560 10.192 402 2HG2 ILE 56 2HG2 ILE 56 11.307 -10.261 11.513 403 3HG2 ILE 56 3HG2 ILE 56 12.129 -9.366 10.240 404 1HD1 ILE 56 1HD1 ILE 56 12.653 -5.781 11.504 405 2HD1 ILE 56 2HD1 ILE 56 11.008 -5.347 11.996 406 3HD1 ILE 56 3HD1 ILE 56 11.590 -4.932 10.377 407 H GLU 57 H GLU 57 7.720 -6.570 12.733 408 HA GLU 57 HA GLU 57 8.506 -5.369 15.256 409 1HB GLU 57 1HB GLU 57 9.984 -4.103 13.700 410 2HB GLU 57 2HB GLU 57 8.574 -3.680 12.741 411 1HG GLU 57 1HG GLU 57 7.691 -2.664 14.943 412 2HG GLU 57 2HG GLU 57 9.357 -2.716 15.468 413 H ILE 58 H ILE 58 6.976 -4.378 16.227 414 HA ILE 58 HA ILE 58 4.587 -3.542 14.808 415 HB ILE 58 HB ILE 58 4.619 -5.240 17.306 416 1HG1 ILE 58 1HG1 ILE 58 3.198 -5.853 14.719 417 2HG1 ILE 58 2HG1 ILE 58 4.843 -6.391 15.047 418 1HG2 ILE 58 1HG2 ILE 58 2.301 -3.921 15.854 419 2HG2 ILE 58 2HG2 ILE 58 2.911 -3.454 17.438 420 3HG2 ILE 58 3HG2 ILE 58 2.121 -5.020 17.223 421 1HD1 ILE 58 1HD1 ILE 58 2.398 -7.083 16.650 422 2HD1 ILE 58 2HD1 ILE 58 4.081 -7.556 16.958 423 3HD1 ILE 58 3HD1 ILE 58 3.274 -8.125 15.500 424 H ASN 59 H ASN 59 4.346 -1.545 15.352 425 HA ASN 59 HA ASN 59 4.466 0.486 16.368 426 1HB ASN 59 1HB ASN 59 3.723 -1.352 18.589 427 2HB ASN 59 2HB ASN 59 3.973 0.361 18.929 428 1HD2 ASN 59 1HD2 ASN 59 1.735 0.425 19.454 429 2HD2 ASN 59 2HD2 ASN 59 0.560 0.578 18.200 430 H GLY 60 H GLY 60 7.042 -0.864 16.079 431 1HA GLY 60 1HA GLY 60 9.097 0.290 16.399 432 2HA GLY 60 2HA GLY 60 8.468 0.926 17.904 433 H GLN 61 H GLN 61 7.623 -2.196 18.125 434 HA GLN 61 HA GLN 61 10.213 -2.864 19.315 435 1HB GLN 61 1HB GLN 61 9.039 -4.340 20.886 436 2HB GLN 61 2HB GLN 61 8.457 -2.695 21.032 437 1HG GLN 61 1HG GLN 61 6.488 -3.315 19.673 438 2HG GLN 61 2HG GLN 61 7.075 -4.975 19.644 439 1HE2 GLN 61 1HE2 GLN 61 5.658 -2.486 21.553 440 2HE2 GLN 61 2HE2 GLN 61 5.212 -3.470 22.891 441 H SER 62 H SER 62 11.217 -4.688 18.825 442 HA SER 62 HA SER 62 10.320 -5.861 16.370 443 1HB SER 62 1HB SER 62 12.731 -5.288 16.835 444 2HB SER 62 2HB SER 62 12.737 -6.579 18.037 445 HG SER 62 HG SER 62 12.041 -6.939 15.319 446 H VAL 63 H VAL 63 8.839 -7.384 16.458 447 HA VAL 63 HA VAL 63 8.531 -8.905 18.908 448 HB VAL 63 HB VAL 63 6.285 -9.277 18.098 449 1HG1 VAL 63 1HG1 VAL 63 7.104 -6.369 17.778 450 2HG1 VAL 63 2HG1 VAL 63 6.835 -7.177 19.307 451 3HG1 VAL 63 3HG1 VAL 63 5.484 -6.945 18.197 452 1HG2 VAL 63 1HG2 VAL 63 6.911 -9.422 15.703 453 2HG2 VAL 63 2HG2 VAL 63 7.070 -7.657 15.665 454 3HG2 VAL 63 3HG2 VAL 63 5.506 -8.408 15.991 455 H VAL 64 H VAL 64 10.378 -9.212 16.583 456 HA VAL 64 HA VAL 64 9.543 -11.453 15.074 457 HB VAL 64 HB VAL 64 11.219 -9.632 14.488 458 1HG1 VAL 64 1HG1 VAL 64 13.083 -11.423 15.970 459 2HG1 VAL 64 2HG1 VAL 64 12.674 -9.748 16.347 460 3HG1 VAL 64 3HG1 VAL 64 13.578 -10.129 14.874 461 1HG2 VAL 64 1HG2 VAL 64 10.690 -11.356 13.053 462 2HG2 VAL 64 2HG2 VAL 64 11.748 -12.510 13.880 463 3HG2 VAL 64 3HG2 VAL 64 12.440 -11.134 12.990 464 H ALA 65 H ALA 65 10.972 -11.062 18.120 465 HA ALA 65 HA ALA 65 11.514 -13.941 18.307 466 1HB ALA 65 1HB ALA 65 13.187 -13.360 20.008 467 2HB ALA 65 2HB ALA 65 12.818 -11.648 19.755 468 3HB ALA 65 3HB ALA 65 13.525 -12.599 18.449 469 H THR 66 H THR 66 9.137 -11.989 18.852 470 HA THR 66 HA THR 66 8.694 -12.336 21.646 471 HB THR 66 HB THR 66 7.242 -10.936 19.365 472 HG1 THR 66 HG1 THR 66 8.948 -10.071 21.451 473 1HG2 THR 66 1HG2 THR 66 6.731 -10.703 22.347 474 2HG2 THR 66 2HG2 THR 66 5.701 -11.571 21.205 475 3HG2 THR 66 3HG2 THR 66 5.914 -9.831 21.041 476 HA PRO 67 HA PRO 67 6.524 -16.160 20.757 477 1HB PRO 67 1HB PRO 67 4.913 -16.177 23.002 478 2HB PRO 67 2HB PRO 67 6.571 -16.774 22.951 479 1HG PRO 67 1HG PRO 67 5.516 -14.184 23.951 480 2HG PRO 67 2HG PRO 67 6.848 -15.168 24.573 481 1HD PRO 67 1HD PRO 67 7.243 -12.919 23.121 482 2HD PRO 67 2HD PRO 67 8.360 -14.297 23.074 483 H HIS 68 H HIS 68 4.507 -16.909 20.196 484 HA HIS 68 HA HIS 68 2.822 -15.402 18.635 485 1HB HIS 68 1HB HIS 68 2.835 -17.870 18.641 486 2HB HIS 68 2HB HIS 68 2.109 -17.884 20.239 487 HD1 HIS 68 HD1 HIS 68 1.194 -18.473 16.893 488 HD2 HIS 68 HD2 HIS 68 -0.634 -16.456 20.037 489 HE1 HIS 68 HE1 HIS 68 -1.222 -18.275 16.262 490 HE2 HIS 68 HE2 HIS 68 -2.335 -17.252 18.283 491 H GLU 69 H GLU 69 2.193 -16.366 21.974 492 HA GLU 69 HA GLU 69 -0.307 -15.220 22.305 493 1HB GLU 69 1HB GLU 69 0.865 -16.775 23.849 494 2HB GLU 69 2HB GLU 69 1.821 -15.367 24.358 495 1HG GLU 69 1HG GLU 69 -0.181 -14.222 25.027 496 2HG GLU 69 2HG GLU 69 -1.145 -15.628 24.560 497 H LYS 70 H LYS 70 2.890 -13.885 22.848 498 HA LYS 70 HA LYS 70 1.992 -11.492 24.034 499 1HB LYS 70 1HB LYS 70 4.547 -12.615 23.217 500 2HB LYS 70 2HB LYS 70 4.443 -10.930 22.842 501 1HG LYS 70 1HG LYS 70 5.420 -11.008 24.983 502 2HG LYS 70 2HG LYS 70 3.738 -10.525 25.206 503 1HD LYS 70 1HD LYS 70 4.716 -13.347 25.630 504 2HD LYS 70 2HD LYS 70 4.662 -12.132 26.896 505 1HE LYS 70 1HE LYS 70 2.236 -11.871 26.388 506 2HE LYS 70 2HE LYS 70 2.378 -13.279 25.345 507 1HZ LYS 70 1HZ LYS 70 3.236 -14.527 27.329 508 2HZ LYS 70 2HZ LYS 70 1.645 -14.044 27.475 509 3HZ LYS 70 3HZ LYS 70 2.861 -13.181 28.281 510 H ILE 71 H ILE 71 3.243 -12.205 20.835 511 HA ILE 71 HA ILE 71 2.865 -9.788 19.605 512 HB ILE 71 HB ILE 71 2.365 -12.508 18.326 513 1HG1 ILE 71 1HG1 ILE 71 4.898 -10.862 18.508 514 2HG1 ILE 71 2HG1 ILE 71 4.574 -12.367 19.355 515 1HG2 ILE 71 1HG2 ILE 71 2.909 -11.440 16.216 516 2HG2 ILE 71 2HG2 ILE 71 3.132 -9.902 17.043 517 3HG2 ILE 71 3HG2 ILE 71 1.515 -10.633 16.962 518 1HD1 ILE 71 1HD1 ILE 71 4.786 -12.049 16.368 519 2HD1 ILE 71 2HD1 ILE 71 4.495 -13.562 17.231 520 3HD1 ILE 71 3HD1 ILE 71 6.026 -12.701 17.437 521 H VAL 72 H VAL 72 0.478 -12.369 20.076 522 HA VAL 72 HA VAL 72 -1.603 -11.025 18.710 523 HB VAL 72 HB VAL 72 -1.702 -13.294 20.726 524 1HG1 VAL 72 1HG1 VAL 72 -4.021 -13.666 20.023 525 2HG1 VAL 72 2HG1 VAL 72 -3.966 -12.199 19.039 526 3HG1 VAL 72 3HG1 VAL 72 -3.842 -12.093 20.798 527 1HG2 VAL 72 1HG2 VAL 72 -0.642 -13.807 18.618 528 2HG2 VAL 72 2HG2 VAL 72 -2.046 -13.194 17.742 529 3HG2 VAL 72 3HG2 VAL 72 -2.193 -14.643 18.746 530 H HIS 73 H HIS 73 -0.600 -11.061 22.090 531 HA HIS 73 HA HIS 73 -2.850 -9.664 23.085 532 1HB HIS 73 1HB HIS 73 -1.403 -10.932 24.608 533 2HB HIS 73 2HB HIS 73 -0.040 -9.894 24.222 534 HD1 HIS 73 HD1 HIS 73 -3.280 -9.917 26.149 535 HD2 HIS 73 HD2 HIS 73 0.035 -7.460 25.608 536 HE1 HIS 73 HE1 HIS 73 -3.458 -8.127 27.901 537 HE2 HIS 73 HE2 HIS 73 -1.627 -6.498 27.305 538 H ILE 74 H ILE 74 0.352 -8.627 21.948 539 HA ILE 74 HA ILE 74 0.024 -5.917 22.485 540 HB ILE 74 HB ILE 74 1.792 -7.441 20.562 541 1HG1 ILE 74 1HG1 ILE 74 3.640 -6.287 21.923 542 2HG1 ILE 74 2HG1 ILE 74 2.365 -5.774 23.016 543 1HG2 ILE 74 1HG2 ILE 74 1.690 -4.454 20.750 544 2HG2 ILE 74 2HG2 ILE 74 1.253 -5.466 19.371 545 3HG2 ILE 74 3HG2 ILE 74 2.939 -5.391 19.912 546 1HD1 ILE 74 1HD1 ILE 74 3.099 -8.637 22.417 547 2HD1 ILE 74 2HD1 ILE 74 1.915 -8.089 23.590 548 3HD1 ILE 74 3HD1 ILE 74 3.619 -7.720 23.827 549 H LEU 75 H LEU 75 -0.588 -7.786 19.514 550 HA LEU 75 HA LEU 75 -1.576 -5.635 17.997 551 1HB LEU 75 1HB LEU 75 -2.090 -8.582 17.754 552 2HB LEU 75 2HB LEU 75 -2.649 -7.402 16.588 553 HG LEU 75 HG LEU 75 0.239 -7.930 17.263 554 1HD1 LEU 75 1HD1 LEU 75 0.342 -8.970 15.061 555 2HD1 LEU 75 2HD1 LEU 75 -1.391 -8.718 14.855 556 3HD1 LEU 75 3HD1 LEU 75 -0.799 -9.811 16.108 557 1HD2 LEU 75 1HD2 LEU 75 -0.149 -5.623 16.532 558 2HD2 LEU 75 2HD2 LEU 75 -1.041 -6.207 15.132 559 3HD2 LEU 75 3HD2 LEU 75 0.685 -6.538 15.276 560 H SER 76 H SER 76 -3.163 -7.707 20.267 561 HA SER 76 HA SER 76 -5.791 -6.973 19.508 562 1HB SER 76 1HB SER 76 -4.819 -8.123 22.127 563 2HB SER 76 2HB SER 76 -6.508 -8.007 21.634 564 HG SER 76 HG SER 76 -4.438 -9.498 20.399 565 H ASN 77 H ASN 77 -3.416 -5.387 21.508 566 HA ASN 77 HA ASN 77 -5.545 -3.745 22.694 567 1HB ASN 77 1HB ASN 77 -2.669 -4.095 23.554 568 2HB ASN 77 2HB ASN 77 -3.714 -2.852 24.220 569 1HD2 ASN 77 1HD2 ASN 77 -4.669 -6.112 23.396 570 2HD2 ASN 77 2HD2 ASN 77 -5.011 -6.657 25.001 571 H ALA 78 H ALA 78 -3.346 -3.594 20.183 572 HA ALA 78 HA ALA 78 -2.998 -0.741 20.508 573 1HB ALA 78 1HB ALA 78 -0.952 -2.044 19.902 574 2HB ALA 78 2HB ALA 78 -1.315 -0.866 18.663 575 3HB ALA 78 3HB ALA 78 -1.712 -2.546 18.406 576 H VAL 79 H VAL 79 -3.966 0.782 19.397 577 HA VAL 79 HA VAL 79 -5.340 0.061 16.920 578 HB VAL 79 HB VAL 79 -7.388 0.961 17.479 579 1HG1 VAL 79 1HG1 VAL 79 -6.487 0.347 20.183 580 2HG1 VAL 79 2HG1 VAL 79 -7.129 -0.723 18.937 581 3HG1 VAL 79 3HG1 VAL 79 -8.155 0.543 19.623 582 1HG2 VAL 79 1HG2 VAL 79 -6.639 3.214 17.784 583 2HG2 VAL 79 2HG2 VAL 79 -6.195 2.873 19.475 584 3HG2 VAL 79 3HG2 VAL 79 -7.892 2.758 18.931 585 H GLY 80 H GLY 80 -5.930 2.349 15.781 586 1HA GLY 80 1HA GLY 80 -5.123 4.322 14.917 587 2HA GLY 80 2HA GLY 80 -3.982 4.402 16.261 588 H GLU 81 H GLU 81 -2.349 5.002 14.825 589 HA GLU 81 HA GLU 81 -1.332 3.547 12.684 590 1HB GLU 81 1HB GLU 81 0.093 5.234 14.727 591 2HB GLU 81 2HB GLU 81 0.866 4.579 13.299 592 1HG GLU 81 1HG GLU 81 -0.719 5.843 11.916 593 2HG GLU 81 2HG GLU 81 -1.396 6.554 13.383 594 H ILE 82 H ILE 82 -0.989 1.509 12.784 595 HA ILE 82 HA ILE 82 0.849 0.500 14.844 596 HB ILE 82 HB ILE 82 -1.290 -1.019 13.312 597 1HG1 ILE 82 1HG1 ILE 82 -1.151 -0.515 16.280 598 2HG1 ILE 82 2HG1 ILE 82 -2.075 0.480 15.162 599 1HG2 ILE 82 1HG2 ILE 82 0.717 -2.385 13.718 600 2HG2 ILE 82 2HG2 ILE 82 -0.646 -2.962 14.680 601 3HG2 ILE 82 3HG2 ILE 82 0.628 -2.011 15.442 602 1HD1 ILE 82 1HD1 ILE 82 -2.470 -2.452 15.630 603 2HD1 ILE 82 2HD1 ILE 82 -3.399 -1.389 14.553 604 3HD1 ILE 82 3HD1 ILE 82 -3.439 -1.126 16.295 605 H HIS 83 H HIS 83 2.558 0.078 14.348 606 HA HIS 83 HA HIS 83 3.247 0.258 11.509 607 1HB HIS 83 1HB HIS 83 3.933 1.908 13.378 608 2HB HIS 83 2HB HIS 83 5.047 0.627 13.841 609 HD1 HIS 83 HD1 HIS 83 7.156 0.513 12.594 610 HD2 HIS 83 HD2 HIS 83 4.162 2.698 10.879 611 HE1 HIS 83 HE1 HIS 83 8.297 1.653 10.635 612 HE2 HIS 83 HE2 HIS 83 6.566 3.284 9.829 613 H MET 84 H MET 84 3.681 -1.649 10.716 614 HA MET 84 HA MET 84 5.219 -3.399 12.466 615 1HB MET 84 1HB MET 84 3.373 -4.252 10.278 616 2HB MET 84 2HB MET 84 4.288 -5.310 11.336 617 1HG MET 84 1HG MET 84 2.951 -4.423 13.241 618 2HG MET 84 2HG MET 84 1.957 -3.557 12.065 619 1HE MET 84 1HE MET 84 2.616 -6.057 9.843 620 2HE MET 84 2HE MET 84 1.264 -4.948 9.804 621 3HE MET 84 3HE MET 84 0.974 -6.716 9.801 622 H LYS 85 H LYS 85 6.724 -4.629 11.363 623 HA LYS 85 HA LYS 85 7.437 -3.684 8.651 624 1HB LYS 85 1HB LYS 85 9.304 -4.610 10.844 625 2HB LYS 85 2HB LYS 85 9.768 -4.172 9.218 626 1HG LYS 85 1HG LYS 85 8.457 -2.258 11.033 627 2HG LYS 85 2HG LYS 85 10.206 -2.551 11.090 628 1HD LYS 85 1HD LYS 85 10.031 -2.075 8.525 629 2HD LYS 85 2HD LYS 85 8.526 -1.274 8.981 630 1HE LYS 85 1HE LYS 85 9.732 0.041 10.650 631 2HE LYS 85 2HE LYS 85 11.212 -0.798 10.159 632 1HZ LYS 85 1HZ LYS 85 9.643 1.060 8.403 633 2HZ LYS 85 2HZ LYS 85 11.022 0.215 7.964 634 3HZ LYS 85 3HZ LYS 85 11.104 1.371 9.174 635 H THR 86 H THR 86 7.315 -5.273 7.332 636 HA THR 86 HA THR 86 7.465 -7.983 8.440 637 HB THR 86 HB THR 86 5.837 -8.740 6.778 638 HG1 THR 86 HG1 THR 86 6.003 -6.041 5.902 639 1HG2 THR 86 1HG2 THR 86 4.730 -6.265 8.110 640 2HG2 THR 86 2HG2 THR 86 5.141 -7.719 8.971 641 3HG2 THR 86 3HG2 THR 86 3.860 -7.761 7.735 642 H MET 87 H MET 87 8.794 -9.385 7.508 643 HA MET 87 HA MET 87 10.289 -8.511 5.114 644 1HB MET 87 1HB MET 87 10.962 -10.584 7.240 645 2HB MET 87 2HB MET 87 11.967 -10.235 5.845 646 1HG MET 87 1HG MET 87 12.232 -7.933 6.659 647 2HG MET 87 2HG MET 87 11.289 -8.370 8.082 648 1HE MET 87 1HE MET 87 14.636 -8.835 6.114 649 2HE MET 87 2HE MET 87 14.071 -10.507 6.164 650 3HE MET 87 3HE MET 87 15.495 -10.033 7.080 651 HA PRO 88 HA PRO 88 8.273 -11.849 2.932 652 1HB PRO 88 1HB PRO 88 10.242 -12.967 1.437 653 2HB PRO 88 2HB PRO 88 9.562 -11.376 1.075 654 1HG PRO 88 1HG PRO 88 12.074 -12.061 2.558 655 2HG PRO 88 2HG PRO 88 11.830 -10.859 1.283 656 1HD PRO 88 1HD PRO 88 11.912 -10.154 3.855 657 2HD PRO 88 2HD PRO 88 10.813 -9.355 2.718 658 H ALA 89 H ALA 89 9.999 -12.438 5.471 659 HA ALA 89 HA ALA 89 10.358 -14.171 6.929 660 1HB ALA 89 1HB ALA 89 8.992 -16.185 6.716 661 2HB ALA 89 2HB ALA 89 8.576 -15.742 5.052 662 3HB ALA 89 3HB ALA 89 8.044 -14.727 6.401 663 H ALA 90 H ALA 90 11.993 -13.696 4.527 664 HA ALA 90 HA ALA 90 13.239 -16.292 4.186 665 1HB ALA 90 1HB ALA 90 14.555 -15.159 2.435 666 2HB ALA 90 2HB ALA 90 13.747 -13.638 2.821 667 3HB ALA 90 3HB ALA 90 12.824 -14.980 2.146 Start of MODEL 12 1 H GLU 7 1H GLU 7 17.067 0.415 9.770 2 HA GLU 7 HA GLU 7 19.739 -0.726 10.231 3 1HB GLU 7 1HB GLU 7 17.120 -1.458 11.624 4 2HB GLU 7 2HB GLU 7 18.667 -2.244 11.871 5 1HG GLU 7 1HG GLU 7 18.272 -0.853 13.731 6 2HG GLU 7 2HG GLU 7 19.495 -0.037 12.757 7 H THR 8 H THR 8 16.552 -2.314 10.151 8 HA THR 8 HA THR 8 15.568 -3.681 8.747 9 HB THR 8 HB THR 8 17.311 -2.357 6.654 10 HG1 THR 8 HG1 THR 8 15.641 -1.193 8.132 11 1HG2 THR 8 1HG2 THR 8 14.696 -3.862 6.349 12 2HG2 THR 8 2HG2 THR 8 16.272 -4.465 5.848 13 3HG2 THR 8 3HG2 THR 8 15.575 -3.053 5.053 14 H MET 9 H MET 9 15.727 -5.808 8.216 15 HA MET 9 HA MET 9 18.339 -7.022 8.263 16 1HB MET 9 1HB MET 9 15.574 -8.250 8.039 17 2HB MET 9 2HB MET 9 17.057 -9.188 8.076 18 1HG MET 9 1HG MET 9 16.007 -9.240 10.236 19 2HG MET 9 2HG MET 9 17.498 -8.316 10.348 20 1HE MET 9 1HE MET 9 16.685 -7.392 12.713 21 2HE MET 9 2HE MET 9 15.183 -8.305 12.562 22 3HE MET 9 3HE MET 9 15.134 -6.591 12.970 23 H GLY 10 H GLY 10 15.533 -7.446 6.098 24 1HA GLY 10 1HA GLY 10 16.767 -6.639 3.763 25 2HA GLY 10 2HA GLY 10 17.073 -8.368 3.953 26 H ASN 11 H ASN 11 15.137 -6.309 2.489 27 HA ASN 11 HA ASN 11 13.081 -6.246 1.656 28 1HB ASN 11 1HB ASN 11 13.266 -9.233 2.026 29 2HB ASN 11 2HB ASN 11 11.823 -8.481 1.364 30 1HD2 ASN 11 1HD2 ASN 11 15.141 -9.297 0.794 31 2HD2 ASN 11 2HD2 ASN 11 15.169 -8.863 -0.865 32 H VAL 12 H VAL 12 12.016 -4.997 2.922 33 HA VAL 12 HA VAL 12 10.496 -6.225 5.039 34 HB VAL 12 HB VAL 12 12.134 -3.682 5.281 35 1HG1 VAL 12 1HG1 VAL 12 9.908 -3.243 6.180 36 2HG1 VAL 12 2HG1 VAL 12 11.086 -3.388 7.497 37 3HG1 VAL 12 3HG1 VAL 12 9.991 -4.723 7.134 38 1HG2 VAL 12 1HG2 VAL 12 13.322 -5.730 5.857 39 2HG2 VAL 12 2HG2 VAL 12 12.006 -6.166 6.958 40 3HG2 VAL 12 3HG2 VAL 12 13.000 -4.757 7.302 41 H THR 13 H THR 13 8.592 -5.764 4.937 42 HA THR 13 HA THR 13 7.543 -3.555 3.338 43 HB THR 13 HB THR 13 6.671 -6.347 3.922 44 HG1 THR 13 HG1 THR 13 7.155 -4.940 1.531 45 1HG2 THR 13 1HG2 THR 13 4.982 -4.170 2.674 46 2HG2 THR 13 2HG2 THR 13 4.725 -4.932 4.242 47 3HG2 THR 13 3HG2 THR 13 4.523 -5.880 2.758 48 H THR 14 H THR 14 7.144 -2.064 4.692 49 HA THR 14 HA THR 14 6.391 -2.588 7.378 50 HB THR 14 HB THR 14 6.235 -0.053 5.819 51 HG1 THR 14 HG1 THR 14 8.325 0.109 6.004 52 1HG2 THR 14 1HG2 THR 14 6.591 0.976 8.112 53 2HG2 THR 14 2HG2 THR 14 6.405 -0.660 8.781 54 3HG2 THR 14 3HG2 THR 14 5.071 0.098 7.931 55 H VAL 15 H VAL 15 4.450 -2.536 8.141 56 HA VAL 15 HA VAL 15 2.181 -2.220 6.316 57 HB VAL 15 HB VAL 15 2.618 -4.064 8.642 58 1HG1 VAL 15 1HG1 VAL 15 0.081 -3.551 7.061 59 2HG1 VAL 15 2HG1 VAL 15 0.357 -3.109 8.753 60 3HG1 VAL 15 3HG1 VAL 15 0.311 -4.811 8.280 61 1HG2 VAL 15 1HG2 VAL 15 3.512 -4.809 6.538 62 2HG2 VAL 15 2HG2 VAL 15 1.949 -4.458 5.781 63 3HG2 VAL 15 3HG2 VAL 15 2.069 -5.783 6.945 64 H LEU 16 H LEU 16 0.712 -0.796 6.948 65 HA LEU 16 HA LEU 16 0.945 0.058 9.695 66 1HB LEU 16 1HB LEU 16 1.624 1.851 8.175 67 2HB LEU 16 2HB LEU 16 0.050 1.749 7.390 68 HG LEU 16 HG LEU 16 -0.929 2.125 9.701 69 1HD1 LEU 16 1HD1 LEU 16 0.443 3.382 11.248 70 2HD1 LEU 16 2HD1 LEU 16 1.855 3.049 10.242 71 3HD1 LEU 16 3HD1 LEU 16 0.999 1.725 11.029 72 1HD2 LEU 16 1HD2 LEU 16 -0.778 4.446 9.540 73 2HD2 LEU 16 2HD2 LEU 16 -0.975 3.681 7.929 74 3HD2 LEU 16 3HD2 LEU 16 0.611 4.323 8.430 75 H ILE 17 H ILE 17 -0.643 -0.569 10.745 76 HA ILE 17 HA ILE 17 -3.184 -1.083 9.419 77 HB ILE 17 HB ILE 17 -1.808 -2.133 11.834 78 1HG1 ILE 17 1HG1 ILE 17 -2.206 -3.424 9.759 79 2HG1 ILE 17 2HG1 ILE 17 -2.848 -4.196 11.213 80 1HG2 ILE 17 1HG2 ILE 17 -3.703 -1.033 12.930 81 2HG2 ILE 17 2HG2 ILE 17 -3.902 -2.802 12.966 82 3HG2 ILE 17 3HG2 ILE 17 -4.802 -1.827 11.801 83 1HD1 ILE 17 1HD1 ILE 17 -4.378 -2.751 9.063 84 2HD1 ILE 17 2HD1 ILE 17 -5.025 -3.058 10.640 85 3HD1 ILE 17 3HD1 ILE 17 -4.572 -4.429 9.620 86 H ARG 18 H ARG 18 -4.796 0.231 9.683 87 HA ARG 18 HA ARG 18 -4.680 2.096 11.912 88 1HB ARG 18 1HB ARG 18 -5.884 2.292 9.167 89 2HB ARG 18 2HB ARG 18 -6.549 3.238 10.485 90 1HG ARG 18 1HG ARG 18 -3.627 3.339 9.855 91 2HG ARG 18 2HG ARG 18 -4.790 4.359 8.977 92 1HD ARG 18 1HD ARG 18 -4.227 4.267 11.938 93 2HD ARG 18 2HD ARG 18 -3.823 5.575 10.824 94 HE ARG 18 HE ARG 18 -6.506 4.822 11.734 95 1HH1 ARG 18 1HH1 ARG 18 -4.373 7.263 10.233 96 2HH1 ARG 18 2HH1 ARG 18 -5.556 8.454 10.167 97 1HH2 ARG 18 1HH2 ARG 18 -8.142 6.533 11.653 98 2HH2 ARG 18 2HH2 ARG 18 -7.729 8.037 10.969 99 H ARG 19 H ARG 19 -5.547 1.018 13.378 100 HA ARG 19 HA ARG 19 -7.974 -0.525 12.946 101 1HB ARG 19 1HB ARG 19 -6.183 -1.664 14.033 102 2HB ARG 19 2HB ARG 19 -6.004 -0.364 15.201 103 1HG ARG 19 1HG ARG 19 -8.047 -0.887 16.212 104 2HG ARG 19 2HG ARG 19 -8.463 -2.086 14.969 105 1HD ARG 19 1HD ARG 19 -6.365 -3.311 15.678 106 2HD ARG 19 2HD ARG 19 -6.281 -2.201 17.046 107 HE ARG 19 HE ARG 19 -8.810 -3.327 16.812 108 1HH1 ARG 19 1HH1 ARG 19 -5.597 -3.975 18.074 109 2HH1 ARG 19 2HH1 ARG 19 -6.069 -5.344 18.963 110 1HH2 ARG 19 1HH2 ARG 19 -9.460 -5.242 18.026 111 2HH2 ARG 19 2HH2 ARG 19 -8.296 -6.119 18.911 112 HA PRO 20 HA PRO 20 -10.167 3.176 14.362 113 1HB PRO 20 1HB PRO 20 -12.350 1.153 14.458 114 2HB PRO 20 2HB PRO 20 -12.348 2.763 13.735 115 1HG PRO 20 1HG PRO 20 -12.164 0.638 12.185 116 2HG PRO 20 2HG PRO 20 -11.155 2.059 11.862 117 1HD PRO 20 1HD PRO 20 -10.397 -0.543 13.124 118 2HD PRO 20 2HD PRO 20 -9.492 0.476 11.980 119 H ASP 21 H ASP 21 -10.509 -0.003 15.934 120 HA ASP 21 HA ASP 21 -10.004 0.882 18.511 121 1HB ASP 21 1HB ASP 21 -12.224 0.661 19.583 122 2HB ASP 21 2HB ASP 21 -12.208 1.983 18.433 123 H LEU 22 H LEU 22 -11.177 -0.948 20.089 124 HA LEU 22 HA LEU 22 -9.778 -3.274 19.244 125 1HB LEU 22 1HB LEU 22 -11.345 -2.715 21.722 126 2HB LEU 22 2HB LEU 22 -10.417 -4.181 21.443 127 HG LEU 22 HG LEU 22 -9.346 -1.372 21.662 128 1HD1 LEU 22 1HD1 LEU 22 -8.977 -3.819 23.315 129 2HD1 LEU 22 2HD1 LEU 22 -9.950 -2.400 23.744 130 3HD1 LEU 22 3HD1 LEU 22 -8.187 -2.259 23.593 131 1HD2 LEU 22 1HD2 LEU 22 -8.208 -2.573 19.958 132 2HD2 LEU 22 2HD2 LEU 22 -7.901 -3.943 21.015 133 3HD2 LEU 22 3HD2 LEU 22 -7.110 -2.376 21.315 134 H ARG 23 H ARG 23 -12.885 -2.401 18.618 135 HA ARG 23 HA ARG 23 -13.883 -5.135 18.576 136 1HB ARG 23 1HB ARG 23 -15.119 -2.544 17.652 137 2HB ARG 23 2HB ARG 23 -15.858 -4.099 17.321 138 1HG ARG 23 1HG ARG 23 -15.298 -2.964 20.055 139 2HG ARG 23 2HG ARG 23 -16.874 -3.027 19.258 140 1HD ARG 23 1HD ARG 23 -16.617 -5.506 19.126 141 2HD ARG 23 2HD ARG 23 -15.166 -5.356 20.107 142 HE ARG 23 HE ARG 23 -17.552 -4.187 21.218 143 1HH1 ARG 23 1HH1 ARG 23 -15.283 -6.886 21.185 144 2HH1 ARG 23 2HH1 ARG 23 -16.018 -7.754 22.451 145 1HH2 ARG 23 1HH2 ARG 23 -18.585 -5.350 23.024 146 2HH2 ARG 23 2HH2 ARG 23 -17.943 -6.841 23.526 147 H TYR 24 H TYR 24 -12.022 -3.218 16.631 148 HA TYR 24 HA TYR 24 -12.674 -4.775 14.231 149 1HB TYR 24 1HB TYR 24 -11.185 -2.183 14.647 150 2HB TYR 24 2HB TYR 24 -11.067 -3.090 13.149 151 HD1 TYR 24 HD1 TYR 24 -12.533 -2.627 11.442 152 HD2 TYR 24 HD2 TYR 24 -13.633 -1.565 15.414 153 HE1 TYR 24 HE1 TYR 24 -14.546 -1.511 10.576 154 HE2 TYR 24 HE2 TYR 24 -15.649 -0.443 14.557 155 HH TYR 24 HH TYR 24 -16.591 -0.764 11.221 156 H GLN 25 H GLN 25 -11.508 -6.592 14.226 157 HA GLN 25 HA GLN 25 -8.918 -6.584 15.504 158 1HB GLN 25 1HB GLN 25 -10.390 -8.796 14.082 159 2HB GLN 25 2HB GLN 25 -8.800 -8.979 14.808 160 1HG GLN 25 1HG GLN 25 -9.781 -8.339 16.985 161 2HG GLN 25 2HG GLN 25 -11.371 -8.337 16.216 162 1HE2 GLN 25 1HE2 GLN 25 -8.703 -10.297 17.302 163 2HE2 GLN 25 2HE2 GLN 25 -9.537 -11.800 17.161 164 H LEU 26 H LEU 26 -7.099 -7.556 14.378 165 HA LEU 26 HA LEU 26 -6.162 -5.824 12.420 166 1HB LEU 26 1HB LEU 26 -5.148 -8.639 12.848 167 2HB LEU 26 2HB LEU 26 -4.267 -7.295 12.178 168 HG LEU 26 HG LEU 26 -3.333 -7.605 14.268 169 1HD1 LEU 26 1HD1 LEU 26 -5.315 -5.419 14.688 170 2HD1 LEU 26 2HD1 LEU 26 -3.698 -5.293 13.984 171 3HD1 LEU 26 3HD1 LEU 26 -3.899 -5.731 15.685 172 1HD2 LEU 26 1HD2 LEU 26 -4.990 -9.178 15.187 173 2HD2 LEU 26 2HD2 LEU 26 -6.040 -7.819 15.615 174 3HD2 LEU 26 3HD2 LEU 26 -4.465 -7.986 16.361 175 H GLY 27 H GLY 27 -7.151 -9.222 11.961 176 1HA GLY 27 1HA GLY 27 -8.625 -9.789 10.161 177 2HA GLY 27 2HA GLY 27 -7.994 -8.414 9.269 178 H PHE 28 H PHE 28 -5.879 -10.547 10.973 179 HA PHE 28 HA PHE 28 -5.433 -12.177 8.671 180 1HB PHE 28 1HB PHE 28 -3.053 -11.727 8.417 181 2HB PHE 28 2HB PHE 28 -3.909 -10.221 8.224 182 HD1 PHE 28 HD1 PHE 28 -3.703 -8.460 9.942 183 HD2 PHE 28 HD2 PHE 28 -1.550 -12.111 10.265 184 HE1 PHE 28 HE1 PHE 28 -2.203 -7.435 11.612 185 HE2 PHE 28 HE2 PHE 28 -0.069 -11.095 11.932 186 HZ PHE 28 HZ PHE 28 -0.396 -8.750 12.602 187 H SER 29 H SER 29 -4.255 -14.017 9.186 188 HA SER 29 HA SER 29 -4.308 -14.640 12.050 189 1HB SER 29 1HB SER 29 -4.267 -16.461 9.642 190 2HB SER 29 2HB SER 29 -4.513 -16.958 11.322 191 HG SER 29 HG SER 29 -6.365 -15.552 11.303 192 H VAL 30 H VAL 30 -2.349 -14.906 13.024 193 HA VAL 30 HA VAL 30 -0.058 -15.217 11.225 194 HB VAL 30 HB VAL 30 -0.480 -13.064 12.790 195 1HG1 VAL 30 1HG1 VAL 30 1.110 -14.832 14.585 196 2HG1 VAL 30 2HG1 VAL 30 -0.527 -14.232 14.907 197 3HG1 VAL 30 3HG1 VAL 30 0.841 -13.109 14.834 198 1HG2 VAL 30 1HG2 VAL 30 1.317 -13.213 11.222 199 2HG2 VAL 30 2HG2 VAL 30 2.203 -14.304 12.284 200 3HG2 VAL 30 3HG2 VAL 30 1.947 -12.626 12.762 201 H GLN 31 H GLN 31 1.383 -16.829 11.698 202 HA GLN 31 HA GLN 31 0.877 -18.241 14.149 203 1HB GLN 31 1HB GLN 31 1.660 -20.380 13.003 204 2HB GLN 31 2HB GLN 31 0.083 -19.782 12.547 205 1HG GLN 31 1HG GLN 31 0.998 -20.506 10.536 206 2HG GLN 31 2HG GLN 31 1.298 -18.771 10.516 207 1HE2 GLN 31 1HE2 GLN 31 2.924 -19.143 8.966 208 2HE2 GLN 31 2HE2 GLN 31 4.480 -19.720 9.447 209 H ASN 32 H ASN 32 2.218 -17.647 15.492 210 HA ASN 32 HA ASN 32 4.134 -17.243 16.623 211 1HB ASN 32 1HB ASN 32 5.245 -19.183 14.594 212 2HB ASN 32 2HB ASN 32 6.185 -18.568 15.950 213 1HD2 ASN 32 1HD2 ASN 32 5.208 -21.263 15.243 214 2HD2 ASN 32 2HD2 ASN 32 4.348 -21.817 16.652 215 H GLY 33 H GLY 33 3.429 -15.586 14.309 216 1HA GLY 33 1HA GLY 33 4.539 -13.405 14.160 217 2HA GLY 33 2HA GLY 33 6.054 -14.285 14.015 218 H ILE 34 H ILE 34 4.180 -16.164 12.239 219 HA ILE 34 HA ILE 34 4.716 -14.560 9.822 220 HB ILE 34 HB ILE 34 4.632 -17.602 9.952 221 1HG1 ILE 34 1HG1 ILE 34 7.069 -17.388 9.192 222 2HG1 ILE 34 2HG1 ILE 34 6.956 -15.694 9.642 223 1HG2 ILE 34 1HG2 ILE 34 5.244 -15.692 7.725 224 2HG2 ILE 34 2HG2 ILE 34 3.810 -16.716 7.850 225 3HG2 ILE 34 3HG2 ILE 34 5.406 -17.448 7.594 226 1HD1 ILE 34 1HD1 ILE 34 6.684 -18.050 11.500 227 2HD1 ILE 34 2HD1 ILE 34 6.562 -16.343 11.953 228 3HD1 ILE 34 3HD1 ILE 34 8.078 -16.979 11.312 229 H ILE 35 H ILE 35 3.148 -13.822 8.847 230 HA ILE 35 HA ILE 35 0.449 -14.273 9.337 231 HB ILE 35 HB ILE 35 1.813 -13.138 6.895 232 1HG1 ILE 35 1HG1 ILE 35 0.561 -11.661 9.201 233 2HG1 ILE 35 2HG1 ILE 35 2.237 -12.190 9.248 234 1HG2 ILE 35 1HG2 ILE 35 -1.075 -12.879 7.826 235 2HG2 ILE 35 2HG2 ILE 35 -0.526 -13.739 6.386 236 3HG2 ILE 35 3HG2 ILE 35 -0.350 -11.999 6.477 237 1HD1 ILE 35 1HD1 ILE 35 1.097 -10.471 7.098 238 2HD1 ILE 35 2HD1 ILE 35 2.801 -10.816 7.429 239 3HD1 ILE 35 3HD1 ILE 35 1.856 -9.837 8.561 240 H CYS 36 H CYS 36 -0.607 -16.092 8.967 241 HA CYS 36 HA CYS 36 0.222 -17.953 6.901 242 1HB CYS 36 1HB CYS 36 -0.234 -18.829 9.134 243 2HB CYS 36 2HB CYS 36 -1.853 -18.154 9.089 244 HG CYS 36 HG CYS 36 -1.153 -20.344 6.613 245 H SER 37 H SER 37 -2.506 -15.866 7.728 246 HA SER 37 HA SER 37 -3.515 -16.182 5.044 247 1HB SER 37 1HB SER 37 -4.605 -17.994 6.390 248 2HB SER 37 2HB SER 37 -5.249 -16.763 7.465 249 HG SER 37 HG SER 37 -5.745 -16.499 4.725 250 H LEU 38 H LEU 38 -4.886 -14.474 4.462 251 HA LEU 38 HA LEU 38 -5.002 -12.229 6.342 252 1HB LEU 38 1HB LEU 38 -3.344 -11.793 4.618 253 2HB LEU 38 2HB LEU 38 -4.487 -12.228 3.368 254 HG LEU 38 HG LEU 38 -5.823 -10.231 3.874 255 1HD1 LEU 38 1HD1 LEU 38 -3.669 -9.653 5.884 256 2HD1 LEU 38 2HD1 LEU 38 -5.362 -10.028 6.236 257 3HD1 LEU 38 3HD1 LEU 38 -4.941 -8.543 5.391 258 1HD2 LEU 38 1HD2 LEU 38 -4.028 -10.063 2.227 259 2HD2 LEU 38 2HD2 LEU 38 -2.910 -9.634 3.533 260 3HD2 LEU 38 3HD2 LEU 38 -4.243 -8.557 3.130 261 H MET 39 H MET 39 -6.980 -11.243 6.495 262 HA MET 39 HA MET 39 -9.175 -12.583 5.183 263 1HB MET 39 1HB MET 39 -9.225 -11.965 7.629 264 2HB MET 39 2HB MET 39 -9.235 -10.280 7.143 265 1HG MET 39 1HG MET 39 -11.471 -11.025 7.697 266 2HG MET 39 2HG MET 39 -11.356 -10.611 5.987 267 1HE MET 39 1HE MET 39 -11.532 -13.528 8.621 268 2HE MET 39 2HE MET 39 -10.046 -13.937 7.763 269 3HE MET 39 3HE MET 39 -11.469 -14.955 7.591 270 H ARG 40 H ARG 40 -9.978 -11.904 3.385 271 HA ARG 40 HA ARG 40 -8.955 -9.722 1.916 272 1HB ARG 40 1HB ARG 40 -10.312 -11.970 1.280 273 2HB ARG 40 2HB ARG 40 -11.619 -10.798 1.261 274 1HG ARG 40 1HG ARG 40 -9.113 -10.607 -0.362 275 2HG ARG 40 2HG ARG 40 -10.670 -11.194 -0.957 276 1HD ARG 40 1HD ARG 40 -9.969 -8.460 0.029 277 2HD ARG 40 2HD ARG 40 -10.211 -8.926 -1.657 278 HE ARG 40 HE ARG 40 -12.245 -8.582 0.418 279 1HH1 ARG 40 1HH1 ARG 40 -11.656 -9.512 -2.968 280 2HH1 ARG 40 2HH1 ARG 40 -13.111 -8.809 -3.516 281 1HH2 ARG 40 1HH2 ARG 40 -14.166 -7.645 -0.365 282 2HH2 ARG 40 2HH2 ARG 40 -14.608 -7.768 -2.005 283 H GLY 41 H GLY 41 -9.567 -7.645 1.923 284 1HA GLY 41 1HA GLY 41 -11.015 -5.921 1.884 285 2HA GLY 41 2HA GLY 41 -12.268 -6.987 2.510 286 H GLY 42 H GLY 42 -9.699 -7.492 4.469 287 1HA GLY 42 1HA GLY 42 -10.961 -5.929 6.566 288 2HA GLY 42 2HA GLY 42 -9.704 -7.145 6.776 289 H ILE 43 H ILE 43 -9.379 -4.953 8.229 290 HA ILE 43 HA ILE 43 -8.060 -2.821 6.991 291 HB ILE 43 HB ILE 43 -6.886 -2.568 9.319 292 1HG1 ILE 43 1HG1 ILE 43 -9.186 -4.364 10.081 293 2HG1 ILE 43 2HG1 ILE 43 -7.477 -4.772 10.199 294 1HG2 ILE 43 1HG2 ILE 43 -9.811 -2.077 8.923 295 2HG2 ILE 43 2HG2 ILE 43 -8.441 -1.028 8.502 296 3HG2 ILE 43 3HG2 ILE 43 -8.794 -1.381 10.195 297 1HD1 ILE 43 1HD1 ILE 43 -8.881 -2.579 11.718 298 2HD1 ILE 43 2HD1 ILE 43 -7.169 -2.986 11.845 299 3HD1 ILE 43 3HD1 ILE 43 -8.392 -4.146 12.361 300 H ALA 44 H ALA 44 -6.804 -5.870 8.095 301 HA ALA 44 HA ALA 44 -4.097 -5.256 7.916 302 1HB ALA 44 1HB ALA 44 -3.776 -7.659 7.740 303 2HB ALA 44 2HB ALA 44 -5.485 -7.854 7.354 304 3HB ALA 44 3HB ALA 44 -5.009 -7.265 8.939 305 H GLU 45 H GLU 45 -6.378 -6.215 5.440 306 HA GLU 45 HA GLU 45 -4.470 -6.580 3.390 307 1HB GLU 45 1HB GLU 45 -6.727 -7.536 3.291 308 2HB GLU 45 2HB GLU 45 -7.416 -5.921 3.235 309 1HG GLU 45 1HG GLU 45 -6.325 -5.535 1.090 310 2HG GLU 45 2HG GLU 45 -5.634 -7.155 1.159 311 H ARG 46 H ARG 46 -6.436 -3.872 4.426 312 HA ARG 46 HA ARG 46 -5.259 -2.183 2.402 313 1HB ARG 46 1HB ARG 46 -6.470 -0.271 3.315 314 2HB ARG 46 2HB ARG 46 -7.519 -1.662 3.068 315 1HG ARG 46 1HG ARG 46 -7.749 -2.041 5.285 316 2HG ARG 46 2HG ARG 46 -6.394 -0.970 5.720 317 1HD ARG 46 1HD ARG 46 -7.605 0.972 5.034 318 2HD ARG 46 2HD ARG 46 -8.849 -0.003 4.270 319 HE ARG 46 HE ARG 46 -9.537 -0.673 6.542 320 1HH1 ARG 46 1HH1 ARG 46 -7.569 2.305 6.361 321 2HH1 ARG 46 2HH1 ARG 46 -8.444 3.113 7.579 322 1HH2 ARG 46 1HH2 ARG 46 -10.757 0.487 8.222 323 2HH2 ARG 46 2HH2 ARG 46 -10.322 2.071 8.627 324 H GLY 47 H GLY 47 -4.352 -3.150 5.429 325 1HA GLY 47 1HA GLY 47 -2.670 -0.929 6.075 326 2HA GLY 47 2HA GLY 47 -2.705 -2.490 6.873 327 H GLY 48 H GLY 48 -2.422 -3.752 4.174 328 1HA GLY 48 1HA GLY 48 -0.676 -3.920 2.530 329 2HA GLY 48 2HA GLY 48 0.402 -3.101 3.644 330 H VAL 49 H VAL 49 -1.552 -5.493 5.066 331 HA VAL 49 HA VAL 49 0.680 -7.121 5.754 332 HB VAL 49 HB VAL 49 -2.306 -7.494 6.046 333 1HG1 VAL 49 1HG1 VAL 49 -1.873 -9.319 7.587 334 2HG1 VAL 49 2HG1 VAL 49 -0.151 -9.053 7.427 335 3HG1 VAL 49 3HG1 VAL 49 -1.069 -9.686 6.047 336 1HG2 VAL 49 1HG2 VAL 49 -1.916 -7.002 8.410 337 2HG2 VAL 49 2HG2 VAL 49 -1.452 -5.679 7.349 338 3HG2 VAL 49 3HG2 VAL 49 -0.211 -6.739 8.045 339 H ARG 50 H ARG 50 1.304 -9.068 4.841 340 HA ARG 50 HA ARG 50 -0.265 -10.202 2.631 341 1HB ARG 50 1HB ARG 50 2.720 -9.696 2.507 342 2HB ARG 50 2HB ARG 50 1.752 -10.535 1.309 343 1HG ARG 50 1HG ARG 50 1.473 -7.663 2.070 344 2HG ARG 50 2HG ARG 50 2.338 -8.271 0.632 345 1HD ARG 50 1HD ARG 50 -0.603 -8.561 1.255 346 2HD ARG 50 2HD ARG 50 0.089 -7.409 0.125 347 HE ARG 50 HE ARG 50 0.960 -9.865 -0.708 348 1HH1 ARG 50 1HH1 ARG 50 -2.215 -8.300 -0.235 349 2HH1 ARG 50 2HH1 ARG 50 -2.961 -9.180 -1.485 350 1HH2 ARG 50 1HH2 ARG 50 -0.111 -11.091 -2.386 351 2HH2 ARG 50 2HH2 ARG 50 -1.744 -10.788 -2.750 352 H VAL 51 H VAL 51 0.164 -12.240 2.251 353 HA VAL 51 HA VAL 51 0.601 -13.752 4.673 354 HB VAL 51 HB VAL 51 -0.359 -14.325 1.917 355 1HG1 VAL 51 1HG1 VAL 51 -0.092 -16.340 4.185 356 2HG1 VAL 51 2HG1 VAL 51 0.808 -16.378 2.669 357 3HG1 VAL 51 3HG1 VAL 51 -0.937 -16.655 2.667 358 1HG2 VAL 51 1HG2 VAL 51 -1.916 -13.198 3.315 359 2HG2 VAL 51 2HG2 VAL 51 -1.717 -14.418 4.580 360 3HG2 VAL 51 3HG2 VAL 51 -2.479 -14.851 3.053 361 H GLY 52 H GLY 52 2.179 -15.368 4.968 362 1HA GLY 52 1HA GLY 52 4.141 -16.524 4.537 363 2HA GLY 52 2HA GLY 52 4.189 -15.803 2.925 364 H HIS 53 H HIS 53 3.669 -13.856 5.628 365 HA HIS 53 HA HIS 53 6.358 -12.731 5.367 366 1HB HIS 53 1HB HIS 53 3.701 -11.415 5.623 367 2HB HIS 53 2HB HIS 53 5.102 -10.638 6.341 368 HD1 HIS 53 HD1 HIS 53 5.357 -8.672 4.747 369 HD2 HIS 53 HD2 HIS 53 5.084 -12.339 2.778 370 HE1 HIS 53 HE1 HIS 53 5.839 -8.191 2.351 371 HE2 HIS 53 HE2 HIS 53 6.102 -10.442 1.339 372 H ARG 54 H ARG 54 7.519 -12.480 7.124 373 HA ARG 54 HA ARG 54 6.327 -13.274 9.674 374 1HB ARG 54 1HB ARG 54 8.435 -14.474 9.090 375 2HB ARG 54 2HB ARG 54 9.254 -12.929 8.931 376 1HG ARG 54 1HG ARG 54 8.911 -12.446 11.266 377 2HG ARG 54 2HG ARG 54 8.029 -13.956 11.493 378 1HD ARG 54 1HD ARG 54 10.929 -13.701 10.672 379 2HD ARG 54 2HD ARG 54 10.368 -14.038 12.301 380 HE ARG 54 HE ARG 54 9.893 -15.890 10.035 381 1HH1 ARG 54 1HH1 ARG 54 10.603 -15.404 13.487 382 2HH1 ARG 54 2HH1 ARG 54 11.102 -17.010 13.739 383 1HH2 ARG 54 1HH2 ARG 54 10.449 -18.066 10.426 384 2HH2 ARG 54 2HH2 ARG 54 10.940 -18.603 11.985 385 H ILE 55 H ILE 55 5.855 -11.786 11.032 386 HA ILE 55 HA ILE 55 6.485 -9.029 10.489 387 HB ILE 55 HB ILE 55 5.190 -10.205 12.949 388 1HG1 ILE 55 1HG1 ILE 55 3.952 -9.147 10.401 389 2HG1 ILE 55 2HG1 ILE 55 3.900 -10.803 10.991 390 1HG2 ILE 55 1HG2 ILE 55 5.211 -7.381 11.858 391 2HG2 ILE 55 2HG2 ILE 55 6.058 -7.944 13.295 392 3HG2 ILE 55 3HG2 ILE 55 4.294 -7.923 13.261 393 1HD1 ILE 55 1HD1 ILE 55 2.786 -8.425 12.327 394 2HD1 ILE 55 2HD1 ILE 55 2.637 -10.114 12.879 395 3HD1 ILE 55 3HD1 ILE 55 1.836 -9.586 11.370 396 H ILE 56 H ILE 56 8.156 -7.977 11.220 397 HA ILE 56 HA ILE 56 9.704 -9.287 13.257 398 HB ILE 56 HB ILE 56 11.680 -8.177 12.500 399 1HG1 ILE 56 1HG1 ILE 56 9.945 -6.922 10.376 400 2HG1 ILE 56 2HG1 ILE 56 10.588 -6.087 11.794 401 1HG2 ILE 56 1HG2 ILE 56 10.104 -9.418 10.246 402 2HG2 ILE 56 2HG2 ILE 56 11.108 -10.273 11.424 403 3HG2 ILE 56 3HG2 ILE 56 11.850 -9.163 10.265 404 1HD1 ILE 56 1HD1 ILE 56 12.793 -6.565 11.090 405 2HD1 ILE 56 2HD1 ILE 56 11.918 -5.657 9.826 406 3HD1 ILE 56 3HD1 ILE 56 12.181 -7.425 9.682 407 H GLU 57 H GLU 57 7.694 -6.655 12.877 408 HA GLU 57 HA GLU 57 8.635 -5.508 15.361 409 1HB GLU 57 1HB GLU 57 10.183 -4.475 13.700 410 2HB GLU 57 2HB GLU 57 8.783 -3.874 12.821 411 1HG GLU 57 1HG GLU 57 8.154 -2.604 14.871 412 2HG GLU 57 2HG GLU 57 9.691 -3.093 15.567 413 H ILE 58 H ILE 58 7.167 -4.282 16.302 414 HA ILE 58 HA ILE 58 4.726 -3.564 14.890 415 HB ILE 58 HB ILE 58 4.836 -5.084 17.505 416 1HG1 ILE 58 1HG1 ILE 58 3.484 -5.968 14.955 417 2HG1 ILE 58 2HG1 ILE 58 5.131 -6.426 15.374 418 1HG2 ILE 58 1HG2 ILE 58 2.471 -3.982 15.953 419 2HG2 ILE 58 2HG2 ILE 58 3.060 -3.392 17.505 420 3HG2 ILE 58 3HG2 ILE 58 2.345 -5.003 17.385 421 1HD1 ILE 58 1HD1 ILE 58 2.672 -7.059 16.993 422 2HD1 ILE 58 2HD1 ILE 58 4.355 -7.483 17.363 423 3HD1 ILE 58 3HD1 ILE 58 3.577 -8.172 15.942 424 H ASN 59 H ASN 59 4.326 -1.558 15.383 425 HA ASN 59 HA ASN 59 4.446 0.527 16.210 426 1HB ASN 59 1HB ASN 59 3.824 -1.074 18.652 427 2HB ASN 59 2HB ASN 59 3.946 0.685 18.729 428 1HD2 ASN 59 1HD2 ASN 59 1.620 -1.055 19.058 429 2HD2 ASN 59 2HD2 ASN 59 0.481 -0.465 17.896 430 H GLY 60 H GLY 60 7.095 -0.765 16.046 431 1HA GLY 60 1HA GLY 60 9.019 0.674 16.194 432 2HA GLY 60 2HA GLY 60 8.403 1.246 17.735 433 H GLN 61 H GLN 61 7.855 -1.936 17.942 434 HA GLN 61 HA GLN 61 10.574 -2.453 18.927 435 1HB GLN 61 1HB GLN 61 9.616 -3.957 20.629 436 2HB GLN 61 2HB GLN 61 9.113 -2.293 20.845 437 1HG GLN 61 1HG GLN 61 6.943 -2.778 19.940 438 2HG GLN 61 2HG GLN 61 7.449 -4.416 19.529 439 1HE2 GLN 61 1HE2 GLN 61 5.852 -5.327 20.740 440 2HE2 GLN 61 2HE2 GLN 61 5.877 -5.353 22.470 441 H SER 62 H SER 62 11.651 -4.029 18.163 442 HA SER 62 HA SER 62 10.593 -5.639 16.101 443 1HB SER 62 1HB SER 62 13.171 -5.994 17.669 444 2HB SER 62 2HB SER 62 12.806 -6.683 16.082 445 HG SER 62 HG SER 62 13.953 -4.801 15.656 446 H VAL 63 H VAL 63 9.154 -7.207 16.489 447 HA VAL 63 HA VAL 63 9.140 -8.547 19.077 448 HB VAL 63 HB VAL 63 6.845 -9.106 18.486 449 1HG1 VAL 63 1HG1 VAL 63 7.254 -6.980 19.620 450 2HG1 VAL 63 2HG1 VAL 63 5.920 -6.782 18.490 451 3HG1 VAL 63 3HG1 VAL 63 7.529 -6.180 18.085 452 1HG2 VAL 63 1HG2 VAL 63 7.377 -7.572 15.931 453 2HG2 VAL 63 2HG2 VAL 63 5.831 -8.279 16.415 454 3HG2 VAL 63 3HG2 VAL 63 7.208 -9.320 16.061 455 H VAL 64 H VAL 64 10.688 -8.933 16.489 456 HA VAL 64 HA VAL 64 9.888 -11.380 15.357 457 HB VAL 64 HB VAL 64 11.392 -9.526 14.447 458 1HG1 VAL 64 1HG1 VAL 64 13.489 -11.086 15.866 459 2HG1 VAL 64 2HG1 VAL 64 13.027 -9.406 16.129 460 3HG1 VAL 64 3HG1 VAL 64 13.795 -9.882 14.608 461 1HG2 VAL 64 1HG2 VAL 64 12.546 -11.100 12.945 462 2HG2 VAL 64 2HG2 VAL 64 10.817 -11.350 13.178 463 3HG2 VAL 64 3HG2 VAL 64 11.977 -12.428 13.991 464 H ALA 65 H ALA 65 11.460 -10.692 18.266 465 HA ALA 65 HA ALA 65 12.142 -13.533 18.575 466 1HB ALA 65 1HB ALA 65 13.909 -12.835 20.135 467 2HB ALA 65 2HB ALA 65 13.479 -11.144 19.839 468 3HB ALA 65 3HB ALA 65 14.131 -12.129 18.531 469 H THR 66 H THR 66 9.751 -11.578 19.193 470 HA THR 66 HA THR 66 9.572 -11.692 22.029 471 HB THR 66 HB THR 66 7.935 -10.534 19.767 472 HG1 THR 66 HG1 THR 66 9.921 -9.657 21.454 473 1HG2 THR 66 1HG2 THR 66 7.403 -10.210 22.730 474 2HG2 THR 66 2HG2 THR 66 6.405 -11.128 21.595 475 3HG2 THR 66 3HG2 THR 66 6.560 -9.390 21.410 476 HA PRO 67 HA PRO 67 7.388 -15.605 22.095 477 1HB PRO 67 1HB PRO 67 5.696 -14.331 24.171 478 2HB PRO 67 2HB PRO 67 6.607 -15.840 24.232 479 1HG PRO 67 1HG PRO 67 7.477 -13.685 25.519 480 2HG PRO 67 2HG PRO 67 8.600 -14.779 24.697 481 1HD PRO 67 1HD PRO 67 7.614 -12.096 23.856 482 2HD PRO 67 2HD PRO 67 9.223 -12.831 23.666 483 H HIS 68 H HIS 68 5.622 -16.466 21.299 484 HA HIS 68 HA HIS 68 3.896 -15.433 19.492 485 1HB HIS 68 1HB HIS 68 4.181 -17.809 19.822 486 2HB HIS 68 2HB HIS 68 3.563 -17.714 21.454 487 HD1 HIS 68 HD1 HIS 68 2.653 -19.192 18.517 488 HD2 HIS 68 HD2 HIS 68 0.581 -16.632 21.043 489 HE1 HIS 68 HE1 HIS 68 0.222 -19.702 18.172 490 HE2 HIS 68 HE2 HIS 68 -0.903 -18.421 20.021 491 H GLU 69 H GLU 69 3.031 -15.969 22.927 492 HA GLU 69 HA GLU 69 0.506 -14.871 22.804 493 1HB GLU 69 1HB GLU 69 1.430 -16.131 24.750 494 2HB GLU 69 2HB GLU 69 2.355 -14.660 25.119 495 1HG GLU 69 1HG GLU 69 0.311 -13.393 25.355 496 2HG GLU 69 2HG GLU 69 -0.647 -14.845 25.067 497 H LYS 70 H LYS 70 3.594 -13.369 23.522 498 HA LYS 70 HA LYS 70 2.603 -10.869 24.314 499 1HB LYS 70 1HB LYS 70 5.216 -11.992 23.645 500 2HB LYS 70 2HB LYS 70 5.068 -10.344 23.134 501 1HG LYS 70 1HG LYS 70 6.021 -10.225 25.284 502 2HG LYS 70 2HG LYS 70 4.317 -9.803 25.472 503 1HD LYS 70 1HD LYS 70 5.367 -12.558 26.041 504 2HD LYS 70 2HD LYS 70 5.335 -11.285 27.253 505 1HE LYS 70 1HE LYS 70 2.889 -11.079 26.832 506 2HE LYS 70 2HE LYS 70 3.012 -12.495 25.790 507 1HZ LYS 70 1HZ LYS 70 4.023 -13.649 27.796 508 2HZ LYS 70 2HZ LYS 70 2.372 -13.324 27.867 509 3HZ LYS 70 3HZ LYS 70 3.455 -12.347 28.721 510 H ILE 71 H ILE 71 3.940 -11.895 21.247 511 HA ILE 71 HA ILE 71 3.542 -9.646 19.730 512 HB ILE 71 HB ILE 71 3.175 -12.520 18.814 513 1HG1 ILE 71 1HG1 ILE 71 5.632 -10.764 18.843 514 2HG1 ILE 71 2HG1 ILE 71 5.330 -12.150 19.886 515 1HG2 ILE 71 1HG2 ILE 71 2.312 -10.885 17.186 516 2HG2 ILE 71 2HG2 ILE 71 3.740 -11.766 16.622 517 3HG2 ILE 71 3HG2 ILE 71 3.909 -10.099 17.198 518 1HD1 ILE 71 1HD1 ILE 71 6.879 -12.668 18.088 519 2HD1 ILE 71 2HD1 ILE 71 5.648 -12.247 16.894 520 3HD1 ILE 71 3HD1 ILE 71 5.409 -13.636 17.966 521 H VAL 72 H VAL 72 1.203 -12.211 20.429 522 HA VAL 72 HA VAL 72 -0.866 -11.093 18.805 523 HB VAL 72 HB VAL 72 -0.934 -13.227 20.967 524 1HG1 VAL 72 1HG1 VAL 72 -3.129 -12.448 19.035 525 2HG1 VAL 72 2HG1 VAL 72 -3.154 -12.218 20.786 526 3HG1 VAL 72 3HG1 VAL 72 -3.136 -13.848 20.111 527 1HG2 VAL 72 1HG2 VAL 72 0.347 -13.815 19.004 528 2HG2 VAL 72 2HG2 VAL 72 -1.001 -13.374 17.965 529 3HG2 VAL 72 3HG2 VAL 72 -1.146 -14.759 19.055 530 H HIS 73 H HIS 73 0.072 -10.840 22.155 531 HA HIS 73 HA HIS 73 -2.318 -9.633 23.119 532 1HB HIS 73 1HB HIS 73 -0.593 -10.897 24.499 533 2HB HIS 73 2HB HIS 73 0.452 -9.493 24.339 534 HD1 HIS 73 HD1 HIS 73 -0.149 -7.407 25.785 535 HD2 HIS 73 HD2 HIS 73 -2.719 -10.632 26.297 536 HE1 HIS 73 HE1 HIS 73 -1.427 -6.929 27.876 537 HE2 HIS 73 HE2 HIS 73 -2.997 -8.854 28.157 538 H ILE 74 H ILE 74 0.835 -8.427 21.982 539 HA ILE 74 HA ILE 74 0.336 -5.728 22.481 540 HB ILE 74 HB ILE 74 2.233 -7.142 20.591 541 1HG1 ILE 74 1HG1 ILE 74 3.954 -5.749 21.912 542 2HG1 ILE 74 2HG1 ILE 74 2.630 -5.401 23.016 543 1HG2 ILE 74 1HG2 ILE 74 1.906 -4.176 20.728 544 2HG2 ILE 74 2HG2 ILE 74 1.497 -5.243 19.385 545 3HG2 ILE 74 3HG2 ILE 74 3.190 -5.044 19.868 546 1HD1 ILE 74 1HD1 ILE 74 3.664 -8.152 22.387 547 2HD1 ILE 74 2HD1 ILE 74 2.456 -7.727 23.582 548 3HD1 ILE 74 3HD1 ILE 74 4.123 -7.193 23.795 549 H LEU 75 H LEU 75 -0.198 -7.699 19.557 550 HA LEU 75 HA LEU 75 -1.236 -5.601 17.994 551 1HB LEU 75 1HB LEU 75 -1.675 -8.568 17.814 552 2HB LEU 75 2HB LEU 75 -2.303 -7.435 16.638 553 HG LEU 75 HG LEU 75 0.615 -7.872 17.247 554 1HD1 LEU 75 1HD1 LEU 75 -1.064 -8.699 14.885 555 2HD1 LEU 75 2HD1 LEU 75 -0.400 -9.775 16.116 556 3HD1 LEU 75 3HD1 LEU 75 0.684 -8.903 15.032 557 1HD2 LEU 75 1HD2 LEU 75 0.132 -5.567 16.534 558 2HD2 LEU 75 2HD2 LEU 75 -0.755 -6.180 15.148 559 3HD2 LEU 75 3HD2 LEU 75 0.983 -6.456 15.271 560 H SER 76 H SER 76 -2.887 -7.967 19.974 561 HA SER 76 HA SER 76 -5.471 -7.113 19.364 562 1HB SER 76 1HB SER 76 -4.522 -8.555 21.846 563 2HB SER 76 2HB SER 76 -6.193 -8.449 21.280 564 HG SER 76 HG SER 76 -4.025 -9.854 20.264 565 H ASN 77 H ASN 77 -3.157 -5.793 21.594 566 HA ASN 77 HA ASN 77 -5.226 -4.222 22.915 567 1HB ASN 77 1HB ASN 77 -2.338 -4.698 23.498 568 2HB ASN 77 2HB ASN 77 -3.101 -3.246 24.128 569 1HD2 ASN 77 1HD2 ASN 77 -3.078 -6.731 24.216 570 2HD2 ASN 77 2HD2 ASN 77 -4.011 -6.860 25.686 571 H ALA 78 H ALA 78 -3.092 -3.828 20.293 572 HA ALA 78 HA ALA 78 -3.040 -0.957 20.654 573 1HB ALA 78 1HB ALA 78 -1.625 -2.636 18.528 574 2HB ALA 78 2HB ALA 78 -0.886 -2.033 19.992 575 3HB ALA 78 3HB ALA 78 -1.419 -0.916 18.762 576 H VAL 79 H VAL 79 -4.030 0.505 19.438 577 HA VAL 79 HA VAL 79 -5.443 -0.416 17.070 578 HB VAL 79 HB VAL 79 -7.501 0.487 17.609 579 1HG1 VAL 79 1HG1 VAL 79 -8.206 0.114 19.810 580 2HG1 VAL 79 2HG1 VAL 79 -6.513 -0.116 20.285 581 3HG1 VAL 79 3HG1 VAL 79 -7.252 -1.174 19.074 582 1HG2 VAL 79 1HG2 VAL 79 -6.834 2.735 17.863 583 2HG2 VAL 79 2HG2 VAL 79 -6.272 2.451 19.527 584 3HG2 VAL 79 3HG2 VAL 79 -8.001 2.291 19.104 585 H GLY 80 H GLY 80 -6.225 1.886 15.926 586 1HA GLY 80 1HA GLY 80 -5.561 3.862 15.019 587 2HA GLY 80 2HA GLY 80 -4.340 3.997 16.287 588 H GLU 81 H GLU 81 -2.860 4.673 14.763 589 HA GLU 81 HA GLU 81 -1.943 3.129 12.605 590 1HB GLU 81 1HB GLU 81 -0.599 5.180 14.329 591 2HB GLU 81 2HB GLU 81 0.249 4.380 13.029 592 1HG GLU 81 1HG GLU 81 -1.419 5.284 11.452 593 2HG GLU 81 2HG GLU 81 -2.173 6.140 12.802 594 H ILE 82 H ILE 82 -1.238 1.205 12.784 595 HA ILE 82 HA ILE 82 0.620 0.593 14.979 596 HB ILE 82 HB ILE 82 -1.212 -1.306 13.480 597 1HG1 ILE 82 1HG1 ILE 82 -1.251 -0.498 16.382 598 2HG1 ILE 82 2HG1 ILE 82 -2.268 0.237 15.154 599 1HG2 ILE 82 1HG2 ILE 82 0.711 -1.847 15.758 600 2HG2 ILE 82 2HG2 ILE 82 0.920 -2.381 14.092 601 3HG2 ILE 82 3HG2 ILE 82 -0.400 -3.025 15.061 602 1HD1 ILE 82 1HD1 ILE 82 -2.285 -2.650 15.967 603 2HD1 ILE 82 2HD1 ILE 82 -3.302 -1.870 14.736 604 3HD1 ILE 82 3HD1 ILE 82 -3.454 -1.397 16.426 605 H HIS 83 H HIS 83 2.558 0.397 14.304 606 HA HIS 83 HA HIS 83 3.044 0.218 11.393 607 1HB HIS 83 1HB HIS 83 5.022 1.009 13.557 608 2HB HIS 83 2HB HIS 83 5.225 1.203 11.827 609 HD1 HIS 83 HD1 HIS 83 4.260 3.380 10.776 610 HD2 HIS 83 HD2 HIS 83 3.339 2.920 14.814 611 HE1 HIS 83 HE1 HIS 83 3.330 5.578 11.524 612 HE2 HIS 83 HE2 HIS 83 2.941 5.338 13.990 613 H MET 84 H MET 84 3.655 -1.709 10.699 614 HA MET 84 HA MET 84 5.228 -3.349 12.570 615 1HB MET 84 1HB MET 84 3.327 -4.379 10.501 616 2HB MET 84 2HB MET 84 4.267 -5.342 11.623 617 1HG MET 84 1HG MET 84 2.942 -4.337 13.467 618 2HG MET 84 2HG MET 84 1.929 -3.562 12.240 619 1HE MET 84 1HE MET 84 2.536 -6.189 10.157 620 2HE MET 84 2HE MET 84 1.165 -5.111 10.108 621 3HE MET 84 3HE MET 84 0.906 -6.876 10.216 622 H LYS 85 H LYS 85 6.685 -4.759 11.510 623 HA LYS 85 HA LYS 85 7.315 -3.911 8.767 624 1HB LYS 85 1HB LYS 85 9.241 -4.809 10.917 625 2HB LYS 85 2HB LYS 85 9.670 -4.372 9.276 626 1HG LYS 85 1HG LYS 85 8.359 -2.504 11.116 627 2HG LYS 85 2HG LYS 85 10.125 -2.716 11.127 628 1HD LYS 85 1HD LYS 85 9.811 -2.226 8.562 629 2HD LYS 85 2HD LYS 85 8.291 -1.501 9.101 630 1HE LYS 85 1HE LYS 85 9.560 -0.177 10.753 631 2HE LYS 85 2HE LYS 85 11.022 -0.914 10.082 632 1HZ LYS 85 1HZ LYS 85 9.188 0.954 8.652 633 2HZ LYS 85 2HZ LYS 85 10.449 0.106 7.924 634 3HZ LYS 85 3HZ LYS 85 10.787 1.220 9.137 635 H THR 86 H THR 86 7.161 -5.562 7.478 636 HA THR 86 HA THR 86 7.351 -8.245 8.664 637 HB THR 86 HB THR 86 5.675 -9.074 7.130 638 HG1 THR 86 HG1 THR 86 5.634 -6.393 6.134 639 1HG2 THR 86 1HG2 THR 86 4.633 -6.514 8.353 640 2HG2 THR 86 2HG2 THR 86 4.964 -7.976 9.245 641 3HG2 THR 86 3HG2 THR 86 3.695 -7.972 8.004 642 H MET 87 H MET 87 8.444 -9.825 7.525 643 HA MET 87 HA MET 87 9.884 -8.889 5.120 644 1HB MET 87 1HB MET 87 10.777 -10.949 7.173 645 2HB MET 87 2HB MET 87 11.680 -10.490 5.742 646 1HG MET 87 1HG MET 87 11.713 -8.150 6.719 647 2HG MET 87 2HG MET 87 11.120 -8.916 8.199 648 1HE MET 87 1HE MET 87 12.669 -11.782 7.963 649 2HE MET 87 2HE MET 87 12.481 -10.901 9.479 650 3HE MET 87 3HE MET 87 14.074 -11.441 8.962 651 HA PRO 88 HA PRO 88 8.037 -12.425 3.058 652 1HB PRO 88 1HB PRO 88 10.634 -13.394 2.052 653 2HB PRO 88 2HB PRO 88 9.258 -12.766 1.142 654 1HG PRO 88 1HG PRO 88 11.512 -11.352 1.365 655 2HG PRO 88 2HG PRO 88 9.924 -10.566 1.402 656 1HD PRO 88 1HD PRO 88 11.725 -11.283 3.685 657 2HD PRO 88 2HD PRO 88 10.859 -9.763 3.371 658 H ALA 89 H ALA 89 9.169 -12.872 5.761 659 HA ALA 89 HA ALA 89 9.597 -14.505 7.314 660 1HB ALA 89 1HB ALA 89 8.413 -16.619 7.010 661 2HB ALA 89 2HB ALA 89 8.186 -16.245 5.287 662 3HB ALA 89 3HB ALA 89 7.431 -15.233 6.523 663 H ALA 90 H ALA 90 11.721 -13.856 6.083 664 HA ALA 90 HA ALA 90 13.141 -16.332 5.547 665 1HB ALA 90 1HB ALA 90 14.668 -14.979 4.168 666 2HB ALA 90 2HB ALA 90 13.661 -13.559 4.443 667 3HB ALA 90 3HB ALA 90 13.022 -14.938 3.542 Start of MODEL 13 1 H GLU 7 1H GLU 7 17.913 -5.284 15.421 2 HA GLU 7 HA GLU 7 16.245 -4.407 13.159 3 1HB GLU 7 1HB GLU 7 19.163 -3.924 13.745 4 2HB GLU 7 2HB GLU 7 18.423 -3.641 12.180 5 1HG GLU 7 1HG GLU 7 16.998 -1.938 13.137 6 2HG GLU 7 2HG GLU 7 17.650 -2.271 14.743 7 H THR 8 H THR 8 15.721 -6.199 12.195 8 HA THR 8 HA THR 8 17.897 -7.957 11.372 9 HB THR 8 HB THR 8 16.303 -9.255 12.711 10 HG1 THR 8 HG1 THR 8 15.831 -10.843 11.245 11 1HG2 THR 8 1HG2 THR 8 14.163 -8.224 10.861 12 2HG2 THR 8 2HG2 THR 8 14.369 -7.791 12.560 13 3HG2 THR 8 3HG2 THR 8 13.933 -9.441 12.112 14 H MET 9 H MET 9 17.773 -8.509 9.020 15 HA MET 9 HA MET 9 16.104 -6.618 7.579 16 1HB MET 9 1HB MET 9 18.046 -5.309 8.331 17 2HB MET 9 2HB MET 9 19.105 -6.391 7.444 18 1HG MET 9 1HG MET 9 17.972 -5.747 5.353 19 2HG MET 9 2HG MET 9 16.979 -4.608 6.258 20 1HE MET 9 1HE MET 9 19.299 -3.615 8.410 21 2HE MET 9 2HE MET 9 18.090 -2.558 7.684 22 3HE MET 9 3HE MET 9 19.796 -2.133 7.597 23 H GLY 10 H GLY 10 15.434 -7.458 5.839 24 1HA GLY 10 1HA GLY 10 17.197 -9.018 4.075 25 2HA GLY 10 2HA GLY 10 15.534 -9.557 4.439 26 H ASN 11 H ASN 11 13.819 -8.281 3.915 27 HA ASN 11 HA ASN 11 14.229 -5.790 2.766 28 1HB ASN 11 1HB ASN 11 12.872 -6.050 0.743 29 2HB ASN 11 2HB ASN 11 14.274 -7.091 0.633 30 1HD2 ASN 11 1HD2 ASN 11 13.957 -9.275 0.453 31 2HD2 ASN 11 2HD2 ASN 11 12.402 -9.978 0.210 32 H VAL 12 H VAL 12 13.074 -4.669 3.744 33 HA VAL 12 HA VAL 12 10.985 -5.829 5.344 34 HB VAL 12 HB VAL 12 12.581 -3.300 5.636 35 1HG1 VAL 12 1HG1 VAL 12 10.341 -4.375 7.361 36 2HG1 VAL 12 2HG1 VAL 12 10.289 -2.892 6.415 37 3HG1 VAL 12 3HG1 VAL 12 11.386 -3.022 7.801 38 1HG2 VAL 12 1HG2 VAL 12 12.418 -5.800 7.258 39 2HG2 VAL 12 2HG2 VAL 12 13.291 -4.342 7.738 40 3HG2 VAL 12 3HG2 VAL 12 13.797 -5.253 6.287 41 H THR 13 H THR 13 9.131 -5.405 4.998 42 HA THR 13 HA THR 13 8.268 -3.147 3.377 43 HB THR 13 HB THR 13 7.537 -5.997 3.625 44 HG1 THR 13 HG1 THR 13 8.279 -4.389 1.440 45 1HG2 THR 13 1HG2 THR 13 5.907 -3.872 2.208 46 2HG2 THR 13 2HG2 THR 13 5.448 -4.711 3.685 47 3HG2 THR 13 3HG2 THR 13 5.556 -5.607 2.160 48 H THR 14 H THR 14 7.521 -1.794 4.737 49 HA THR 14 HA THR 14 6.620 -2.498 7.328 50 HB THR 14 HB THR 14 6.469 0.103 5.886 51 HG1 THR 14 HG1 THR 14 8.610 -0.405 5.916 52 1HG2 THR 14 1HG2 THR 14 6.467 -0.619 8.826 53 2HG2 THR 14 2HG2 THR 14 5.137 0.077 7.913 54 3HG2 THR 14 3HG2 THR 14 6.590 1.036 8.229 55 H VAL 15 H VAL 15 4.641 -2.532 8.004 56 HA VAL 15 HA VAL 15 2.465 -2.071 6.105 57 HB VAL 15 HB VAL 15 2.746 -4.020 8.354 58 1HG1 VAL 15 1HG1 VAL 15 0.283 -3.357 6.691 59 2HG1 VAL 15 2HG1 VAL 15 0.516 -2.994 8.406 60 3HG1 VAL 15 3HG1 VAL 15 0.422 -4.677 7.865 61 1HG2 VAL 15 1HG2 VAL 15 3.712 -4.740 6.299 62 2HG2 VAL 15 2HG2 VAL 15 2.264 -4.224 5.437 63 3HG2 VAL 15 3HG2 VAL 15 2.166 -5.633 6.504 64 H LEU 16 H LEU 16 1.029 -0.621 6.699 65 HA LEU 16 HA LEU 16 1.137 0.192 9.476 66 1HB LEU 16 1HB LEU 16 2.021 1.922 7.969 67 2HB LEU 16 2HB LEU 16 0.464 1.962 7.151 68 HG LEU 16 HG LEU 16 -0.473 2.374 9.519 69 1HD1 LEU 16 1HD1 LEU 16 1.530 1.971 10.758 70 2HD1 LEU 16 2HD1 LEU 16 0.967 3.629 10.973 71 3HD1 LEU 16 3HD1 LEU 16 2.341 3.300 9.921 72 1HD2 LEU 16 1HD2 LEU 16 -0.556 3.868 7.683 73 2HD2 LEU 16 2HD2 LEU 16 1.055 4.508 8.119 74 3HD2 LEU 16 3HD2 LEU 16 -0.336 4.664 9.249 75 H ILE 17 H ILE 17 -0.515 -0.348 10.426 76 HA ILE 17 HA ILE 17 -3.144 -0.732 9.119 77 HB ILE 17 HB ILE 17 -1.670 -1.904 11.421 78 1HG1 ILE 17 1HG1 ILE 17 -2.297 -3.132 9.365 79 2HG1 ILE 17 2HG1 ILE 17 -2.890 -3.889 10.848 80 1HG2 ILE 17 1HG2 ILE 17 -4.623 -1.426 11.646 81 2HG2 ILE 17 2HG2 ILE 17 -3.385 -0.714 12.682 82 3HG2 ILE 17 3HG2 ILE 17 -3.682 -2.467 12.717 83 1HD1 ILE 17 1HD1 ILE 17 -4.457 -2.257 8.876 84 2HD1 ILE 17 2HD1 ILE 17 -5.023 -2.680 10.472 85 3HD1 ILE 17 3HD1 ILE 17 -4.695 -3.959 9.312 86 H ARG 18 H ARG 18 -4.752 0.595 9.504 87 HA ARG 18 HA ARG 18 -4.413 2.326 11.810 88 1HB ARG 18 1HB ARG 18 -5.913 2.856 9.237 89 2HB ARG 18 2HB ARG 18 -6.181 3.813 10.688 90 1HG ARG 18 1HG ARG 18 -4.682 5.096 9.444 91 2HG ARG 18 2HG ARG 18 -3.653 4.256 10.602 92 1HD ARG 18 1HD ARG 18 -2.569 4.138 8.530 93 2HD ARG 18 2HD ARG 18 -3.251 2.535 8.820 94 HE ARG 18 HE ARG 18 -4.969 4.298 7.346 95 1HH1 ARG 18 1HH1 ARG 18 -2.409 1.801 6.900 96 2HH1 ARG 18 2HH1 ARG 18 -2.771 1.596 5.254 97 1HH2 ARG 18 1HH2 ARG 18 -5.440 3.895 5.106 98 2HH2 ARG 18 2HH2 ARG 18 -4.524 2.784 4.204 99 H ARG 19 H ARG 19 -5.291 1.321 13.280 100 HA ARG 19 HA ARG 19 -7.723 -0.209 12.845 101 1HB ARG 19 1HB ARG 19 -5.949 -1.386 13.926 102 2HB ARG 19 2HB ARG 19 -5.755 -0.104 15.109 103 1HG ARG 19 1HG ARG 19 -7.827 -0.611 16.109 104 2HG ARG 19 2HG ARG 19 -8.239 -1.793 14.856 105 1HD ARG 19 1HD ARG 19 -6.234 -3.106 15.570 106 2HD ARG 19 2HD ARG 19 -6.007 -1.964 16.891 107 HE ARG 19 HE ARG 19 -8.596 -3.143 16.697 108 1HH1 ARG 19 1HH1 ARG 19 -5.470 -3.252 18.313 109 2HH1 ARG 19 2HH1 ARG 19 -6.016 -4.330 19.520 110 1HH2 ARG 19 1HH2 ARG 19 -9.263 -4.670 18.285 111 2HH2 ARG 19 2HH2 ARG 19 -8.204 -5.202 19.513 112 HA PRO 20 HA PRO 20 -10.067 3.341 14.310 113 1HB PRO 20 1HB PRO 20 -12.005 1.108 14.752 114 2HB PRO 20 2HB PRO 20 -12.275 2.697 14.022 115 1HG PRO 20 1HG PRO 20 -12.043 0.563 12.478 116 2HG PRO 20 2HG PRO 20 -11.265 2.089 12.012 117 1HD PRO 20 1HD PRO 20 -10.053 -0.397 13.130 118 2HD PRO 20 2HD PRO 20 -9.397 0.757 11.944 119 H ASP 21 H ASP 21 -10.511 0.243 16.121 120 HA ASP 21 HA ASP 21 -9.314 1.111 18.477 121 1HB ASP 21 1HB ASP 21 -11.138 1.557 19.948 122 2HB ASP 21 2HB ASP 21 -11.450 2.552 18.542 123 H LEU 22 H LEU 22 -10.676 -0.446 20.302 124 HA LEU 22 HA LEU 22 -9.514 -2.909 19.558 125 1HB LEU 22 1HB LEU 22 -11.128 -2.211 21.976 126 2HB LEU 22 2HB LEU 22 -10.190 -3.678 21.761 127 HG LEU 22 HG LEU 22 -9.148 -0.866 21.940 128 1HD1 LEU 22 1HD1 LEU 22 -8.780 -3.312 23.639 129 2HD1 LEU 22 2HD1 LEU 22 -9.762 -1.900 24.054 130 3HD1 LEU 22 3HD1 LEU 22 -7.998 -1.753 23.923 131 1HD2 LEU 22 1HD2 LEU 22 -7.928 -2.025 20.300 132 2HD2 LEU 22 2HD2 LEU 22 -7.670 -3.425 21.332 133 3HD2 LEU 22 3HD2 LEU 22 -6.877 -1.878 21.696 134 H ARG 23 H ARG 23 -12.631 -1.719 19.171 135 HA ARG 23 HA ARG 23 -14.081 -4.194 19.235 136 1HB ARG 23 1HB ARG 23 -14.787 -1.707 17.682 137 2HB ARG 23 2HB ARG 23 -15.880 -3.006 18.124 138 1HG ARG 23 1HG ARG 23 -15.654 -2.457 20.455 139 2HG ARG 23 2HG ARG 23 -14.472 -1.209 20.069 140 1HD ARG 23 1HD ARG 23 -16.373 -0.328 18.508 141 2HD ARG 23 2HD ARG 23 -17.407 -1.253 19.601 142 HE ARG 23 HE ARG 23 -15.494 0.713 20.564 143 1HH1 ARG 23 1HH1 ARG 23 -18.786 -0.610 20.610 144 2HH1 ARG 23 2HH1 ARG 23 -19.463 0.665 21.490 145 1HH2 ARG 23 1HH2 ARG 23 -16.417 2.491 21.817 146 2HH2 ARG 23 2HH2 ARG 23 -18.088 2.467 22.207 147 H TYR 24 H TYR 24 -11.805 -3.008 17.091 148 HA TYR 24 HA TYR 24 -12.764 -4.643 14.862 149 1HB TYR 24 1HB TYR 24 -10.988 -2.200 14.953 150 2HB TYR 24 2HB TYR 24 -11.128 -3.224 13.539 151 HD1 TYR 24 HD1 TYR 24 -13.186 -1.121 15.846 152 HD2 TYR 24 HD2 TYR 24 -12.716 -2.737 11.945 153 HE1 TYR 24 HE1 TYR 24 -15.048 0.273 15.053 154 HE2 TYR 24 HE2 TYR 24 -14.559 -1.361 11.130 155 HH TYR 24 HH TYR 24 -15.775 1.223 12.921 156 H GLN 25 H GLN 25 -11.231 -6.162 14.162 157 HA GLN 25 HA GLN 25 -8.717 -6.075 15.626 158 1HB GLN 25 1HB GLN 25 -8.546 -8.541 15.300 159 2HB GLN 25 2HB GLN 25 -9.806 -8.023 16.406 160 1HG GLN 25 1HG GLN 25 -11.479 -8.509 14.900 161 2HG GLN 25 2HG GLN 25 -10.354 -8.610 13.544 162 1HE2 GLN 25 1HE2 GLN 25 -9.468 -10.043 16.591 163 2HE2 GLN 25 2HE2 GLN 25 -9.650 -11.691 16.105 164 H LEU 26 H LEU 26 -7.108 -7.498 14.457 165 HA LEU 26 HA LEU 26 -6.211 -5.944 12.333 166 1HB LEU 26 1HB LEU 26 -5.265 -8.739 12.941 167 2HB LEU 26 2HB LEU 26 -4.364 -7.441 12.203 168 HG LEU 26 HG LEU 26 -3.421 -7.587 14.282 169 1HD1 LEU 26 1HD1 LEU 26 -4.054 -5.672 15.633 170 2HD1 LEU 26 2HD1 LEU 26 -5.519 -5.505 14.662 171 3HD1 LEU 26 3HD1 LEU 26 -3.932 -5.306 13.907 172 1HD2 LEU 26 1HD2 LEU 26 -4.936 -9.223 15.290 173 2HD2 LEU 26 2HD2 LEU 26 -6.131 -7.984 15.635 174 3HD2 LEU 26 3HD2 LEU 26 -4.568 -7.941 16.423 175 H GLY 27 H GLY 27 -7.075 -9.417 12.214 176 1HA GLY 27 1HA GLY 27 -8.575 -10.265 10.580 177 2HA GLY 27 2HA GLY 27 -8.166 -8.899 9.547 178 H PHE 28 H PHE 28 -5.890 -10.908 11.297 179 HA PHE 28 HA PHE 28 -5.372 -12.558 9.037 180 1HB PHE 28 1HB PHE 28 -3.043 -11.989 8.655 181 2HB PHE 28 2HB PHE 28 -3.963 -10.519 8.497 182 HD1 PHE 28 HD1 PHE 28 -3.788 -8.775 10.250 183 HD2 PHE 28 HD2 PHE 28 -1.376 -12.268 10.339 184 HE1 PHE 28 HE1 PHE 28 -2.237 -7.666 11.813 185 HE2 PHE 28 HE2 PHE 28 0.168 -11.173 11.899 186 HZ PHE 28 HZ PHE 28 -0.267 -8.867 12.638 187 H SER 29 H SER 29 -3.700 -14.145 9.595 188 HA SER 29 HA SER 29 -3.798 -14.723 12.487 189 1HB SER 29 1HB SER 29 -3.713 -16.660 10.183 190 2HB SER 29 2HB SER 29 -3.968 -17.063 11.891 191 HG SER 29 HG SER 29 -5.873 -15.452 11.530 192 H VAL 30 H VAL 30 -1.798 -14.999 13.431 193 HA VAL 30 HA VAL 30 0.482 -15.253 11.603 194 HB VAL 30 HB VAL 30 -0.093 -13.019 13.029 195 1HG1 VAL 30 1HG1 VAL 30 1.804 -14.465 14.813 196 2HG1 VAL 30 2HG1 VAL 30 0.137 -14.018 15.211 197 3HG1 VAL 30 3HG1 VAL 30 1.358 -12.762 14.952 198 1HG2 VAL 30 1HG2 VAL 30 1.582 -13.112 11.326 199 2HG2 VAL 30 2HG2 VAL 30 2.664 -14.006 12.392 200 3HG2 VAL 30 3HG2 VAL 30 2.245 -12.335 12.763 201 H GLN 31 H GLN 31 1.986 -16.780 12.132 202 HA GLN 31 HA GLN 31 1.887 -17.905 14.819 203 1HB GLN 31 1HB GLN 31 2.274 -20.184 13.937 204 2HB GLN 31 2HB GLN 31 0.751 -19.530 13.378 205 1HG GLN 31 1HG GLN 31 1.928 -18.954 11.215 206 2HG GLN 31 2HG GLN 31 3.294 -19.881 11.854 207 1HE2 GLN 31 1HE2 GLN 31 3.145 -22.105 11.977 208 2HE2 GLN 31 2HE2 GLN 31 1.853 -23.005 11.252 209 H ASN 32 H ASN 32 3.741 -17.865 15.811 210 HA ASN 32 HA ASN 32 5.867 -17.344 16.313 211 1HB ASN 32 1HB ASN 32 6.441 -18.600 13.618 212 2HB ASN 32 2HB ASN 32 7.696 -18.128 14.756 213 1HD2 ASN 32 1HD2 ASN 32 7.781 -19.222 16.730 214 2HD2 ASN 32 2HD2 ASN 32 7.141 -20.814 16.925 215 H GLY 33 H GLY 33 4.184 -15.523 14.532 216 1HA GLY 33 1HA GLY 33 4.625 -13.232 14.197 217 2HA GLY 33 2HA GLY 33 6.340 -13.608 14.058 218 H ILE 34 H ILE 34 4.706 -15.888 12.358 219 HA ILE 34 HA ILE 34 5.081 -14.371 9.866 220 HB ILE 34 HB ILE 34 5.125 -17.409 10.171 221 1HG1 ILE 34 1HG1 ILE 34 7.511 -17.163 9.282 222 2HG1 ILE 34 2HG1 ILE 34 7.370 -15.451 9.603 223 1HG2 ILE 34 1HG2 ILE 34 5.557 -15.644 7.794 224 2HG2 ILE 34 2HG2 ILE 34 4.160 -16.687 8.064 225 3HG2 ILE 34 3HG2 ILE 34 5.756 -17.399 7.774 226 1HD1 ILE 34 1HD1 ILE 34 7.246 -17.648 11.657 227 2HD1 ILE 34 2HD1 ILE 34 7.130 -15.917 11.987 228 3HD1 ILE 34 3HD1 ILE 34 8.623 -16.592 11.335 229 H ILE 35 H ILE 35 3.456 -13.746 8.914 230 HA ILE 35 HA ILE 35 0.792 -14.288 9.545 231 HB ILE 35 HB ILE 35 2.013 -13.126 7.033 232 1HG1 ILE 35 1HG1 ILE 35 0.795 -11.677 9.381 233 2HG1 ILE 35 2HG1 ILE 35 2.498 -12.119 9.336 234 1HG2 ILE 35 1HG2 ILE 35 -0.841 -12.976 8.082 235 2HG2 ILE 35 2HG2 ILE 35 -0.322 -13.842 6.640 236 3HG2 ILE 35 3HG2 ILE 35 -0.212 -12.088 6.690 237 1HD1 ILE 35 1HD1 ILE 35 2.885 -10.744 7.488 238 2HD1 ILE 35 2HD1 ILE 35 1.913 -9.777 8.622 239 3HD1 ILE 35 3HD1 ILE 35 1.168 -10.559 7.206 240 H CYS 36 H CYS 36 -0.281 -16.057 9.152 241 HA CYS 36 HA CYS 36 0.638 -17.951 7.134 242 1HB CYS 36 1HB CYS 36 0.287 -18.650 9.502 243 2HB CYS 36 2HB CYS 36 -1.421 -18.289 9.316 244 HG CYS 36 HG CYS 36 -0.208 -21.062 9.116 245 H SER 37 H SER 37 -2.214 -16.055 8.064 246 HA SER 37 HA SER 37 -3.239 -16.345 5.397 247 1HB SER 37 1HB SER 37 -5.535 -16.931 6.364 248 2HB SER 37 2HB SER 37 -4.336 -18.224 6.350 249 HG SER 37 HG SER 37 -5.489 -16.876 8.477 250 H LEU 38 H LEU 38 -4.807 -14.749 4.886 251 HA LEU 38 HA LEU 38 -4.944 -12.482 6.757 252 1HB LEU 38 1HB LEU 38 -3.269 -12.068 5.052 253 2HB LEU 38 2HB LEU 38 -4.380 -12.543 3.794 254 HG LEU 38 HG LEU 38 -5.692 -10.506 4.160 255 1HD1 LEU 38 1HD1 LEU 38 -5.286 -10.226 6.558 256 2HD1 LEU 38 2HD1 LEU 38 -4.894 -8.771 5.654 257 3HD1 LEU 38 3HD1 LEU 38 -3.602 -9.817 6.222 258 1HD2 LEU 38 1HD2 LEU 38 -3.844 -10.470 2.575 259 2HD2 LEU 38 2HD2 LEU 38 -2.739 -10.007 3.868 260 3HD2 LEU 38 3HD2 LEU 38 -4.016 -8.912 3.378 261 H MET 39 H MET 39 -6.936 -11.363 6.725 262 HA MET 39 HA MET 39 -9.095 -12.786 5.409 263 1HB MET 39 1HB MET 39 -9.280 -12.249 7.832 264 2HB MET 39 2HB MET 39 -9.208 -10.540 7.432 265 1HG MET 39 1HG MET 39 -11.311 -10.709 6.221 266 2HG MET 39 2HG MET 39 -11.369 -12.440 6.537 267 1HE MET 39 1HE MET 39 -11.658 -8.841 8.064 268 2HE MET 39 2HE MET 39 -10.296 -9.488 8.979 269 3HE MET 39 3HE MET 39 -11.833 -9.180 9.782 270 H ARG 40 H ARG 40 -9.756 -12.172 3.571 271 HA ARG 40 HA ARG 40 -8.906 -9.877 2.170 272 1HB ARG 40 1HB ARG 40 -9.370 -11.920 1.057 273 2HB ARG 40 2HB ARG 40 -11.011 -11.970 1.703 274 1HG ARG 40 1HG ARG 40 -11.030 -11.501 -0.664 275 2HG ARG 40 2HG ARG 40 -11.569 -10.080 0.212 276 1HD ARG 40 1HD ARG 40 -10.001 -9.651 -1.707 277 2HD ARG 40 2HD ARG 40 -9.530 -8.979 -0.144 278 HE ARG 40 HE ARG 40 -7.834 -10.444 0.033 279 1HH1 ARG 40 1HH1 ARG 40 -9.476 -10.934 -3.091 280 2HH1 ARG 40 2HH1 ARG 40 -8.208 -11.827 -3.790 281 1HH2 ARG 40 1HH2 ARG 40 -6.147 -11.747 -0.877 282 2HH2 ARG 40 2HH2 ARG 40 -6.223 -12.361 -2.455 283 H GLY 41 H GLY 41 -9.666 -7.940 2.354 284 1HA GLY 41 1HA GLY 41 -11.407 -6.301 2.324 285 2HA GLY 41 2HA GLY 41 -12.491 -7.484 3.050 286 H GLY 42 H GLY 42 -9.931 -8.023 4.810 287 1HA GLY 42 1HA GLY 42 -10.935 -6.440 7.007 288 2HA GLY 42 2HA GLY 42 -9.657 -7.647 7.073 289 H ILE 43 H ILE 43 -9.526 -5.187 8.386 290 HA ILE 43 HA ILE 43 -8.210 -3.194 7.003 291 HB ILE 43 HB ILE 43 -7.030 -2.692 9.290 292 1HG1 ILE 43 1HG1 ILE 43 -9.352 -4.402 10.196 293 2HG1 ILE 43 2HG1 ILE 43 -7.642 -4.741 10.445 294 1HG2 ILE 43 1HG2 ILE 43 -9.915 -2.132 8.729 295 2HG2 ILE 43 2HG2 ILE 43 -8.458 -1.186 8.323 296 3HG2 ILE 43 3HG2 ILE 43 -8.939 -1.373 9.993 297 1HD1 ILE 43 1HD1 ILE 43 -9.171 -2.419 11.625 298 2HD1 ILE 43 2HD1 ILE 43 -7.462 -2.750 11.886 299 3HD1 ILE 43 3HD1 ILE 43 -8.679 -3.876 12.483 300 H ALA 44 H ALA 44 -6.766 -6.060 8.409 301 HA ALA 44 HA ALA 44 -4.082 -5.349 8.198 302 1HB ALA 44 1HB ALA 44 -3.642 -7.740 8.147 303 2HB ALA 44 2HB ALA 44 -5.321 -8.050 7.708 304 3HB ALA 44 3HB ALA 44 -4.939 -7.379 9.289 305 H GLU 45 H GLU 45 -6.223 -6.664 5.767 306 HA GLU 45 HA GLU 45 -4.216 -6.874 3.781 307 1HB GLU 45 1HB GLU 45 -6.235 -8.213 3.754 308 2HB GLU 45 2HB GLU 45 -7.212 -6.763 3.587 309 1HG GLU 45 1HG GLU 45 -6.319 -6.345 1.420 310 2HG GLU 45 2HG GLU 45 -5.179 -7.684 1.585 311 H ARG 46 H ARG 46 -6.595 -4.493 4.644 312 HA ARG 46 HA ARG 46 -6.176 -2.719 2.467 313 1HB ARG 46 1HB ARG 46 -7.138 -2.073 5.261 314 2HB ARG 46 2HB ARG 46 -7.343 -1.060 3.841 315 1HG ARG 46 1HG ARG 46 -8.772 -2.771 2.828 316 2HG ARG 46 2HG ARG 46 -8.567 -3.783 4.264 317 1HD ARG 46 1HD ARG 46 -9.576 -2.004 5.633 318 2HD ARG 46 2HD ARG 46 -9.814 -1.037 4.181 319 HE ARG 46 HE ARG 46 -11.099 -3.655 4.615 320 1HH1 ARG 46 1HH1 ARG 46 -11.260 -0.341 3.322 321 2HH1 ARG 46 2HH1 ARG 46 -12.955 -0.405 3.097 322 1HH2 ARG 46 1HH2 ARG 46 -13.452 -3.667 4.278 323 2HH2 ARG 46 2HH2 ARG 46 -14.169 -2.283 3.609 324 H GLY 47 H GLY 47 -4.663 -3.123 5.588 325 1HA GLY 47 1HA GLY 47 -3.060 -0.770 5.557 326 2HA GLY 47 2HA GLY 47 -2.887 -2.136 6.637 327 H GLY 48 H GLY 48 -2.700 -3.907 4.141 328 1HA GLY 48 1HA GLY 48 -1.117 -4.050 2.305 329 2HA GLY 48 2HA GLY 48 -0.014 -3.070 3.251 330 H VAL 49 H VAL 49 -1.713 -5.583 4.917 331 HA VAL 49 HA VAL 49 0.697 -6.949 5.548 332 HB VAL 49 HB VAL 49 -2.220 -7.453 6.066 333 1HG1 VAL 49 1HG1 VAL 49 -1.626 -9.289 7.595 334 2HG1 VAL 49 2HG1 VAL 49 0.066 -9.017 7.208 335 3HG1 VAL 49 3HG1 VAL 49 -1.020 -9.663 5.968 336 1HG2 VAL 49 1HG2 VAL 49 -1.288 -5.665 7.315 337 2HG2 VAL 49 2HG2 VAL 49 0.026 -6.708 7.889 338 3HG2 VAL 49 3HG2 VAL 49 -1.631 -7.012 8.401 339 H ARG 50 H ARG 50 1.358 -8.972 4.856 340 HA ARG 50 HA ARG 50 -0.037 -10.212 2.589 341 1HB ARG 50 1HB ARG 50 2.874 -9.510 2.808 342 2HB ARG 50 2HB ARG 50 2.242 -10.683 1.668 343 1HG ARG 50 1HG ARG 50 1.368 -7.853 1.807 344 2HG ARG 50 2HG ARG 50 2.687 -8.412 0.734 345 1HD ARG 50 1HD ARG 50 0.811 -10.098 -0.019 346 2HD ARG 50 2HD ARG 50 -0.262 -8.876 0.656 347 HE ARG 50 HE ARG 50 1.701 -7.822 -1.118 348 1HH1 ARG 50 1HH1 ARG 50 -1.616 -8.983 -0.814 349 2HH1 ARG 50 2HH1 ARG 50 -2.040 -8.742 -2.452 350 1HH2 ARG 50 1HH2 ARG 50 1.142 -7.440 -3.368 351 2HH2 ARG 50 2HH2 ARG 50 -0.411 -7.828 -3.950 352 H VAL 51 H VAL 51 0.054 -12.219 2.515 353 HA VAL 51 HA VAL 51 0.665 -13.722 4.876 354 HB VAL 51 HB VAL 51 -0.345 -14.360 2.146 355 1HG1 VAL 51 1HG1 VAL 51 -0.011 -16.299 4.473 356 2HG1 VAL 51 2HG1 VAL 51 0.868 -16.370 2.941 357 3HG1 VAL 51 3HG1 VAL 51 -0.871 -16.671 2.976 358 1HG2 VAL 51 1HG2 VAL 51 -1.874 -13.209 3.551 359 2HG2 VAL 51 2HG2 VAL 51 -1.634 -14.400 4.838 360 3HG2 VAL 51 3HG2 VAL 51 -2.434 -14.872 3.338 361 H GLY 52 H GLY 52 2.311 -15.230 5.143 362 1HA GLY 52 1HA GLY 52 4.291 -16.351 4.623 363 2HA GLY 52 2HA GLY 52 4.233 -15.644 3.005 364 H HIS 53 H HIS 53 3.756 -13.629 5.662 365 HA HIS 53 HA HIS 53 6.433 -12.516 5.314 366 1HB HIS 53 1HB HIS 53 3.786 -11.224 5.630 367 2HB HIS 53 2HB HIS 53 5.175 -10.446 6.374 368 HD1 HIS 53 HD1 HIS 53 5.477 -8.444 4.784 369 HD2 HIS 53 HD2 HIS 53 5.093 -12.082 2.794 370 HE1 HIS 53 HE1 HIS 53 5.970 -7.961 2.405 371 HE2 HIS 53 HE2 HIS 53 6.153 -10.237 1.379 372 H ARG 54 H ARG 54 7.641 -12.234 6.996 373 HA ARG 54 HA ARG 54 6.635 -13.085 9.600 374 1HB ARG 54 1HB ARG 54 8.800 -14.050 8.965 375 2HB ARG 54 2HB ARG 54 9.460 -12.432 8.675 376 1HG ARG 54 1HG ARG 54 8.801 -11.982 11.095 377 2HG ARG 54 2HG ARG 54 8.725 -13.739 11.267 378 1HD ARG 54 1HD ARG 54 11.098 -12.190 10.280 379 2HD ARG 54 2HD ARG 54 10.850 -12.640 11.960 380 HE ARG 54 HE ARG 54 11.474 -14.467 9.736 381 1HH1 ARG 54 1HH1 ARG 54 10.934 -14.112 13.215 382 2HH1 ARG 54 2HH1 ARG 54 12.204 -15.138 13.664 383 1HH2 ARG 54 1HH2 ARG 54 13.125 -15.878 10.302 384 2HH2 ARG 54 2HH2 ARG 54 13.532 -16.215 11.945 385 H ILE 55 H ILE 55 6.025 -11.569 10.936 386 HA ILE 55 HA ILE 55 6.639 -8.805 10.397 387 HB ILE 55 HB ILE 55 5.283 -9.945 12.837 388 1HG1 ILE 55 1HG1 ILE 55 4.066 -9.009 10.228 389 2HG1 ILE 55 2HG1 ILE 55 4.042 -10.646 10.879 390 1HG2 ILE 55 1HG2 ILE 55 5.286 -7.186 11.602 391 2HG2 ILE 55 2HG2 ILE 55 6.105 -7.654 13.087 392 3HG2 ILE 55 3HG2 ILE 55 4.343 -7.664 13.009 393 1HD1 ILE 55 1HD1 ILE 55 2.857 -8.245 12.116 394 2HD1 ILE 55 2HD1 ILE 55 2.750 -9.909 12.734 395 3HD1 ILE 55 3HD1 ILE 55 1.944 -9.465 11.200 396 H ILE 56 H ILE 56 8.310 -7.850 11.137 397 HA ILE 56 HA ILE 56 9.837 -9.171 13.204 398 HB ILE 56 HB ILE 56 11.792 -8.041 12.447 399 1HG1 ILE 56 1HG1 ILE 56 9.987 -6.725 10.414 400 2HG1 ILE 56 2HG1 ILE 56 10.720 -5.944 11.815 401 1HG2 ILE 56 1HG2 ILE 56 10.204 -9.232 10.170 402 2HG2 ILE 56 2HG2 ILE 56 11.181 -10.122 11.338 403 3HG2 ILE 56 3HG2 ILE 56 11.955 -9.013 10.201 404 1HD1 ILE 56 1HD1 ILE 56 12.150 -7.203 9.546 405 2HD1 ILE 56 2HD1 ILE 56 12.875 -6.445 10.967 406 3HD1 ILE 56 3HD1 ILE 56 11.953 -5.453 9.807 407 H GLU 57 H GLU 57 7.780 -6.566 12.865 408 HA GLU 57 HA GLU 57 8.493 -5.622 15.467 409 1HB GLU 57 1HB GLU 57 10.273 -4.533 14.055 410 2HB GLU 57 2HB GLU 57 8.996 -3.711 13.172 411 1HG GLU 57 1HG GLU 57 8.326 -2.547 15.169 412 2HG GLU 57 2HG GLU 57 9.517 -3.428 16.108 413 H ILE 58 H ILE 58 6.918 -4.417 16.365 414 HA ILE 58 HA ILE 58 4.623 -3.618 14.732 415 HB ILE 58 HB ILE 58 4.520 -5.344 17.218 416 1HG1 ILE 58 1HG1 ILE 58 3.355 -5.921 14.500 417 2HG1 ILE 58 2HG1 ILE 58 4.960 -6.456 14.988 418 1HG2 ILE 58 1HG2 ILE 58 2.251 -4.052 15.687 419 2HG2 ILE 58 2HG2 ILE 58 2.778 -3.648 17.320 420 3HG2 ILE 58 3HG2 ILE 58 2.058 -5.230 16.992 421 1HD1 ILE 58 1HD1 ILE 58 3.997 -7.693 16.795 422 2HD1 ILE 58 2HD1 ILE 58 3.357 -8.217 15.242 423 3HD1 ILE 58 3HD1 ILE 58 2.370 -7.200 16.318 424 H ASN 59 H ASN 59 4.301 -1.579 15.201 425 HA ASN 59 HA ASN 59 4.008 0.401 16.244 426 1HB ASN 59 1HB ASN 59 2.368 -1.305 17.399 427 2HB ASN 59 2HB ASN 59 3.394 -1.041 18.802 428 1HD2 ASN 59 1HD2 ASN 59 0.595 -0.359 18.239 429 2HD2 ASN 59 2HD2 ASN 59 0.442 1.346 18.512 430 H GLY 60 H GLY 60 6.720 -0.617 16.311 431 1HA GLY 60 1HA GLY 60 8.557 0.675 17.072 432 2HA GLY 60 2HA GLY 60 7.648 1.055 18.521 433 H GLN 61 H GLN 61 7.264 -2.222 18.152 434 HA GLN 61 HA GLN 61 9.821 -2.756 19.501 435 1HB GLN 61 1HB GLN 61 8.797 -4.273 21.058 436 2HB GLN 61 2HB GLN 61 7.992 -2.723 21.180 437 1HG GLN 61 1HG GLN 61 6.118 -3.584 19.897 438 2HG GLN 61 2HG GLN 61 6.958 -5.125 19.706 439 1HE2 GLN 61 1HE2 GLN 61 7.313 -6.406 21.557 440 2HE2 GLN 61 2HE2 GLN 61 6.289 -6.274 22.932 441 H SER 62 H SER 62 10.995 -4.313 18.826 442 HA SER 62 HA SER 62 10.200 -5.674 16.459 443 1HB SER 62 1HB SER 62 12.566 -4.897 16.946 444 2HB SER 62 2HB SER 62 12.660 -6.159 18.172 445 HG SER 62 HG SER 62 11.919 -6.767 15.524 446 H VAL 63 H VAL 63 8.821 -7.324 16.566 447 HA VAL 63 HA VAL 63 8.654 -8.859 19.028 448 HB VAL 63 HB VAL 63 6.455 -9.486 18.198 449 1HG1 VAL 63 1HG1 VAL 63 6.658 -7.439 19.490 450 2HG1 VAL 63 2HG1 VAL 63 5.420 -7.200 18.255 451 3HG1 VAL 63 3HG1 VAL 63 7.038 -6.519 18.049 452 1HG2 VAL 63 1HG2 VAL 63 7.029 -9.513 15.799 453 2HG2 VAL 63 2HG2 VAL 63 7.079 -7.743 15.804 454 3HG2 VAL 63 3HG2 VAL 63 5.569 -8.589 16.122 455 H VAL 64 H VAL 64 10.550 -9.030 16.718 456 HA VAL 64 HA VAL 64 9.968 -11.414 15.304 457 HB VAL 64 HB VAL 64 11.387 -9.385 14.699 458 1HG1 VAL 64 1HG1 VAL 64 13.487 -10.926 16.129 459 2HG1 VAL 64 2HG1 VAL 64 12.876 -9.303 16.483 460 3HG1 VAL 64 3HG1 VAL 64 13.786 -9.597 14.996 461 1HG2 VAL 64 1HG2 VAL 64 11.040 -11.094 13.222 462 2HG2 VAL 64 2HG2 VAL 64 12.218 -12.175 14.004 463 3HG2 VAL 64 3HG2 VAL 64 12.757 -10.712 13.142 464 H ALA 65 H ALA 65 11.051 -10.851 18.407 465 HA ALA 65 HA ALA 65 11.923 -13.637 18.653 466 1HB ALA 65 1HB ALA 65 13.528 -12.952 20.369 467 2HB ALA 65 2HB ALA 65 13.051 -11.269 20.143 468 3HB ALA 65 3HB ALA 65 13.866 -12.140 18.836 469 H THR 66 H THR 66 9.370 -12.025 19.001 470 HA THR 66 HA THR 66 8.836 -12.360 21.801 471 HB THR 66 HB THR 66 7.485 -10.918 19.496 472 HG1 THR 66 HG1 THR 66 9.023 -10.141 21.729 473 1HG2 THR 66 1HG2 THR 66 6.794 -10.840 22.441 474 2HG2 THR 66 2HG2 THR 66 5.839 -11.623 21.175 475 3HG2 THR 66 3HG2 THR 66 6.059 -9.876 21.152 476 HA PRO 67 HA PRO 67 6.741 -16.132 20.610 477 1HB PRO 67 1HB PRO 67 5.117 -16.430 22.759 478 2HB PRO 67 2HB PRO 67 6.848 -16.776 22.808 479 1HG PRO 67 1HG PRO 67 5.385 -14.325 23.704 480 2HG PRO 67 2HG PRO 67 6.694 -15.201 24.516 481 1HD PRO 67 1HD PRO 67 7.134 -12.942 23.134 482 2HD PRO 67 2HD PRO 67 8.326 -14.259 23.178 483 H HIS 68 H HIS 68 4.765 -16.935 20.012 484 HA HIS 68 HA HIS 68 3.100 -15.588 18.385 485 1HB HIS 68 1HB HIS 68 3.264 -18.048 18.644 486 2HB HIS 68 2HB HIS 68 2.350 -17.945 20.129 487 HD1 HIS 68 HD1 HIS 68 1.829 -19.218 17.034 488 HD2 HIS 68 HD2 HIS 68 -0.356 -16.423 19.215 489 HE1 HIS 68 HE1 HIS 68 -0.483 -19.255 16.068 490 HE2 HIS 68 HE2 HIS 68 -1.758 -17.501 17.307 491 H GLU 69 H GLU 69 2.250 -16.377 21.788 492 HA GLU 69 HA GLU 69 -0.230 -15.094 21.534 493 1HB GLU 69 1HB GLU 69 0.228 -16.846 23.205 494 2HB GLU 69 2HB GLU 69 1.214 -15.674 24.094 495 1HG GLU 69 1HG GLU 69 -0.756 -14.229 24.327 496 2HG GLU 69 2HG GLU 69 -1.708 -15.439 23.475 497 H LYS 70 H LYS 70 2.889 -13.983 22.747 498 HA LYS 70 HA LYS 70 1.933 -11.554 23.782 499 1HB LYS 70 1HB LYS 70 4.624 -12.455 22.913 500 2HB LYS 70 2HB LYS 70 4.351 -10.750 22.966 501 1HG LYS 70 1HG LYS 70 3.379 -11.283 25.349 502 2HG LYS 70 2HG LYS 70 4.451 -12.684 25.193 503 1HD LYS 70 1HD LYS 70 6.324 -11.256 24.724 504 2HD LYS 70 2HD LYS 70 5.280 -9.838 24.702 505 1HE LYS 70 1HE LYS 70 5.960 -11.560 27.081 506 2HE LYS 70 2HE LYS 70 6.460 -9.900 26.700 507 1HZ LYS 70 1HZ LYS 70 3.634 -10.686 27.262 508 2HZ LYS 70 2HZ LYS 70 4.229 -9.123 26.998 509 3HZ LYS 70 3HZ LYS 70 4.708 -9.969 28.347 510 H ILE 71 H ILE 71 3.287 -12.318 20.656 511 HA ILE 71 HA ILE 71 3.089 -9.861 19.435 512 HB ILE 71 HB ILE 71 2.606 -12.586 18.159 513 1HG1 ILE 71 1HG1 ILE 71 5.137 -10.969 18.505 514 2HG1 ILE 71 2HG1 ILE 71 4.741 -12.468 19.326 515 1HG2 ILE 71 1HG2 ILE 71 1.887 -10.671 16.740 516 2HG2 ILE 71 2HG2 ILE 71 3.269 -11.574 16.092 517 3HG2 ILE 71 3HG2 ILE 71 3.539 -10.027 16.890 518 1HD1 ILE 71 1HD1 ILE 71 5.185 -12.146 16.367 519 2HD1 ILE 71 2HD1 ILE 71 4.832 -13.665 17.198 520 3HD1 ILE 71 3HD1 ILE 71 6.338 -12.799 17.524 521 H VAL 72 H VAL 72 0.581 -12.352 19.769 522 HA VAL 72 HA VAL 72 -1.362 -10.861 18.305 523 HB VAL 72 HB VAL 72 -1.711 -13.230 20.175 524 1HG1 VAL 72 1HG1 VAL 72 -3.666 -12.081 18.175 525 2HG1 VAL 72 2HG1 VAL 72 -3.805 -11.993 19.933 526 3HG1 VAL 72 3HG1 VAL 72 -3.881 -13.555 19.124 527 1HG2 VAL 72 1HG2 VAL 72 -0.328 -13.743 18.260 528 2HG2 VAL 72 2HG2 VAL 72 -1.540 -13.064 17.172 529 3HG2 VAL 72 3HG2 VAL 72 -1.901 -14.526 18.091 530 H HIS 73 H HIS 73 -0.462 -11.097 21.675 531 HA HIS 73 HA HIS 73 -2.834 -9.964 22.808 532 1HB HIS 73 1HB HIS 73 -1.114 -11.406 24.004 533 2HB HIS 73 2HB HIS 73 -0.049 -10.009 23.993 534 HD1 HIS 73 HD1 HIS 73 -2.720 -11.617 25.849 535 HD2 HIS 73 HD2 HIS 73 -1.046 -7.819 25.693 536 HE1 HIS 73 HE1 HIS 73 -3.452 -10.470 27.959 537 HE2 HIS 73 HE2 HIS 73 -2.725 -8.122 27.674 538 H ILE 74 H ILE 74 0.302 -8.757 21.820 539 HA ILE 74 HA ILE 74 -0.023 -6.131 22.724 540 HB ILE 74 HB ILE 74 1.834 -7.432 20.737 541 1HG1 ILE 74 1HG1 ILE 74 2.549 -6.353 23.437 542 2HG1 ILE 74 2HG1 ILE 74 1.713 -7.897 23.314 543 1HG2 ILE 74 1HG2 ILE 74 1.980 -4.651 21.913 544 2HG2 ILE 74 2HG2 ILE 74 1.549 -5.021 20.255 545 3HG2 ILE 74 3HG2 ILE 74 3.179 -5.401 20.845 546 1HD1 ILE 74 1HD1 ILE 74 4.311 -7.205 21.993 547 2HD1 ILE 74 2HD1 ILE 74 3.405 -8.740 21.930 548 3HD1 ILE 74 3HD1 ILE 74 4.101 -8.198 23.462 549 H LEU 75 H LEU 75 -0.401 -7.746 19.570 550 HA LEU 75 HA LEU 75 -1.244 -5.533 18.065 551 1HB LEU 75 1HB LEU 75 -1.914 -8.458 17.821 552 2HB LEU 75 2HB LEU 75 -2.543 -7.263 16.702 553 HG LEU 75 HG LEU 75 0.402 -7.780 17.133 554 1HD1 LEU 75 1HD1 LEU 75 -1.435 -8.743 14.938 555 2HD1 LEU 75 2HD1 LEU 75 -0.726 -9.754 16.193 556 3HD1 LEU 75 3HD1 LEU 75 0.312 -8.971 15.004 557 1HD2 LEU 75 1HD2 LEU 75 -0.133 -5.539 16.298 558 2HD2 LEU 75 2HD2 LEU 75 -1.123 -6.252 15.026 559 3HD2 LEU 75 3HD2 LEU 75 0.619 -6.520 15.039 560 H SER 76 H SER 76 -3.127 -7.851 19.933 561 HA SER 76 HA SER 76 -5.676 -6.911 19.432 562 1HB SER 76 1HB SER 76 -5.221 -9.070 20.507 563 2HB SER 76 2HB SER 76 -4.604 -8.252 21.931 564 HG SER 76 HG SER 76 -7.189 -7.513 21.191 565 H ASN 77 H ASN 77 -3.240 -5.568 21.541 566 HA ASN 77 HA ASN 77 -5.278 -3.826 22.688 567 1HB ASN 77 1HB ASN 77 -2.540 -4.558 23.635 568 2HB ASN 77 2HB ASN 77 -3.309 -3.084 24.215 569 1HD2 ASN 77 1HD2 ASN 77 -3.462 -6.573 24.170 570 2HD2 ASN 77 2HD2 ASN 77 -4.645 -6.690 25.444 571 H ALA 78 H ALA 78 -3.189 -3.696 20.133 572 HA ALA 78 HA ALA 78 -2.773 -0.846 20.542 573 1HB ALA 78 1HB ALA 78 -1.100 -0.941 18.734 574 2HB ALA 78 2HB ALA 78 -1.497 -2.624 18.436 575 3HB ALA 78 3HB ALA 78 -0.742 -2.162 19.949 576 H VAL 79 H VAL 79 -3.839 0.677 19.405 577 HA VAL 79 HA VAL 79 -5.175 -0.203 16.971 578 HB VAL 79 HB VAL 79 -7.245 0.676 17.543 579 1HG1 VAL 79 1HG1 VAL 79 -7.905 0.247 19.724 580 2HG1 VAL 79 2HG1 VAL 79 -6.208 0.087 20.193 581 3HG1 VAL 79 3HG1 VAL 79 -6.900 -0.996 18.982 582 1HG2 VAL 79 1HG2 VAL 79 -6.545 2.948 17.811 583 2HG2 VAL 79 2HG2 VAL 79 -6.020 2.631 19.480 584 3HG2 VAL 79 3HG2 VAL 79 -7.738 2.481 19.018 585 H GLY 80 H GLY 80 -5.903 2.146 15.819 586 1HA GLY 80 1HA GLY 80 -5.236 4.227 15.097 587 2HA GLY 80 2HA GLY 80 -3.921 4.200 16.270 588 H GLU 81 H GLU 81 -2.475 4.947 14.648 589 HA GLU 81 HA GLU 81 -1.966 3.353 12.344 590 1HB GLU 81 1HB GLU 81 -0.434 5.599 13.629 591 2HB GLU 81 2HB GLU 81 0.013 4.857 12.109 592 1HG GLU 81 1HG GLU 81 -2.130 5.563 11.176 593 2HG GLU 81 2HG GLU 81 -2.493 6.418 12.689 594 H ILE 82 H ILE 82 -1.087 1.516 12.534 595 HA ILE 82 HA ILE 82 0.921 1.020 14.644 596 HB ILE 82 HB ILE 82 -0.888 -0.968 13.237 597 1HG1 ILE 82 1HG1 ILE 82 -0.986 -0.014 16.108 598 2HG1 ILE 82 2HG1 ILE 82 -2.034 0.590 14.829 599 1HG2 ILE 82 1HG2 ILE 82 -0.048 -2.577 14.902 600 2HG2 ILE 82 2HG2 ILE 82 1.048 -1.345 15.533 601 3HG2 ILE 82 3HG2 ILE 82 1.257 -1.952 13.891 602 1HD1 ILE 82 1HD1 ILE 82 -1.904 -2.259 15.793 603 2HD1 ILE 82 2HD1 ILE 82 -2.977 -1.607 14.541 604 3HD1 ILE 82 3HD1 ILE 82 -3.141 -1.066 16.205 605 H HIS 83 H HIS 83 2.847 0.945 13.857 606 HA HIS 83 HA HIS 83 3.342 0.323 11.014 607 1HB HIS 83 1HB HIS 83 5.346 1.106 13.157 608 2HB HIS 83 2HB HIS 83 5.638 1.016 11.437 609 HD1 HIS 83 HD1 HIS 83 5.164 3.165 10.063 610 HD2 HIS 83 HD2 HIS 83 3.949 3.419 14.042 611 HE1 HIS 83 HE1 HIS 83 4.756 5.562 10.493 612 HE2 HIS 83 HE2 HIS 83 4.121 5.744 12.891 613 H MET 84 H MET 84 3.662 -1.699 10.552 614 HA MET 84 HA MET 84 5.186 -3.308 12.483 615 1HB MET 84 1HB MET 84 3.376 -4.316 10.318 616 2HB MET 84 2HB MET 84 4.208 -5.281 11.519 617 1HG MET 84 1HG MET 84 2.807 -4.199 13.252 618 2HG MET 84 2HG MET 84 1.895 -3.410 11.957 619 1HE MET 84 1HE MET 84 2.571 -6.106 9.975 620 2HE MET 84 2HE MET 84 1.234 -4.995 9.782 621 3HE MET 84 3HE MET 84 0.925 -6.747 9.930 622 H LYS 85 H LYS 85 6.696 -4.764 11.445 623 HA LYS 85 HA LYS 85 7.434 -3.796 8.778 624 1HB LYS 85 1HB LYS 85 9.299 -4.684 11.005 625 2HB LYS 85 2HB LYS 85 9.788 -4.201 9.389 626 1HG LYS 85 1HG LYS 85 8.346 -2.428 11.228 627 2HG LYS 85 2HG LYS 85 10.124 -2.561 11.237 628 1HD LYS 85 1HD LYS 85 9.921 -2.027 8.737 629 2HD LYS 85 2HD LYS 85 8.259 -1.561 9.102 630 1HE LYS 85 1HE LYS 85 9.139 -0.055 10.855 631 2HE LYS 85 2HE LYS 85 10.745 -0.569 10.301 632 1HZ LYS 85 1HZ LYS 85 9.860 1.634 9.411 633 2HZ LYS 85 2HZ LYS 85 8.894 0.686 8.355 634 3HZ LYS 85 3HZ LYS 85 10.564 0.550 8.336 635 H THR 86 H THR 86 7.287 -5.355 7.438 636 HA THR 86 HA THR 86 7.485 -8.079 8.506 637 HB THR 86 HB THR 86 5.798 -8.836 6.972 638 HG1 THR 86 HG1 THR 86 5.907 -6.165 5.994 639 1HG2 THR 86 1HG2 THR 86 4.783 -6.319 8.293 640 2HG2 THR 86 2HG2 THR 86 5.108 -7.810 9.135 641 3HG2 THR 86 3HG2 THR 86 3.823 -7.755 7.906 642 H MET 87 H MET 87 8.495 -9.633 7.257 643 HA MET 87 HA MET 87 9.821 -8.668 4.813 644 1HB MET 87 1HB MET 87 11.053 -10.582 6.847 645 2HB MET 87 2HB MET 87 11.821 -9.954 5.396 646 1HG MET 87 1HG MET 87 11.524 -7.658 6.482 647 2HG MET 87 2HG MET 87 11.201 -8.585 7.952 648 1HE MET 87 1HE MET 87 13.198 -11.114 7.499 649 2HE MET 87 2HE MET 87 12.994 -10.302 9.045 650 3HE MET 87 3HE MET 87 14.613 -10.556 8.391 651 HA PRO 88 HA PRO 88 8.131 -12.412 2.974 652 1HB PRO 88 1HB PRO 88 10.732 -13.261 1.893 653 2HB PRO 88 2HB PRO 88 9.283 -12.740 1.033 654 1HG PRO 88 1HG PRO 88 11.452 -11.228 1.116 655 2HG PRO 88 2HG PRO 88 9.835 -10.500 1.199 656 1HD PRO 88 1HD PRO 88 11.776 -11.077 3.412 657 2HD PRO 88 2HD PRO 88 10.834 -9.598 3.106 658 H ALA 89 H ALA 89 9.098 -12.752 5.563 659 HA ALA 89 HA ALA 89 9.517 -14.211 7.169 660 1HB ALA 89 1HB ALA 89 8.261 -16.236 5.344 661 2HB ALA 89 2HB ALA 89 7.414 -15.015 6.311 662 3HB ALA 89 3HB ALA 89 8.355 -16.273 7.117 663 H ALA 90 H ALA 90 11.704 -13.706 6.241 664 HA ALA 90 HA ALA 90 13.369 -15.847 5.515 665 1HB ALA 90 1HB ALA 90 15.191 -14.426 6.431 666 2HB ALA 90 2HB ALA 90 13.979 -13.336 7.107 667 3HB ALA 90 3HB ALA 90 14.125 -13.521 5.359 Start of MODEL 14 1 H GLU 7 1H GLU 7 17.569 2.678 6.359 2 HA GLU 7 HA GLU 7 19.048 0.575 7.792 3 1HB GLU 7 1HB GLU 7 16.146 1.366 8.011 4 2HB GLU 7 2HB GLU 7 16.768 -0.170 8.585 5 1HG GLU 7 1HG GLU 7 16.586 1.242 10.457 6 2HG GLU 7 2HG GLU 7 18.299 1.114 10.084 7 H THR 8 H THR 8 19.634 -0.754 6.227 8 HA THR 8 HA THR 8 17.476 -2.074 4.884 9 HB THR 8 HB THR 8 18.200 -0.574 3.110 10 HG1 THR 8 HG1 THR 8 17.785 -2.270 1.989 11 1HG2 THR 8 1HG2 THR 8 21.000 -1.670 3.488 12 2HG2 THR 8 2HG2 THR 8 20.478 -0.029 3.871 13 3HG2 THR 8 3HG2 THR 8 20.502 -0.580 2.194 14 H MET 9 H MET 9 17.554 -3.968 5.629 15 HA MET 9 HA MET 9 20.155 -5.192 6.263 16 1HB MET 9 1HB MET 9 18.617 -4.822 8.170 17 2HB MET 9 2HB MET 9 17.412 -5.823 7.380 18 1HG MET 9 1HG MET 9 18.902 -7.748 7.540 19 2HG MET 9 2HG MET 9 20.122 -6.741 8.320 20 1HE MET 9 1HE MET 9 20.298 -8.354 10.404 21 2HE MET 9 2HE MET 9 19.148 -9.426 9.612 22 3HE MET 9 3HE MET 9 18.896 -8.950 11.292 23 H GLY 10 H GLY 10 17.071 -5.545 4.675 24 1HA GLY 10 1HA GLY 10 18.052 -7.435 2.834 25 2HA GLY 10 2HA GLY 10 17.053 -8.209 4.071 26 H ASN 11 H ASN 11 14.961 -8.173 3.877 27 HA ASN 11 HA ASN 11 13.776 -6.302 1.996 28 1HB ASN 11 1HB ASN 11 13.259 -9.275 2.212 29 2HB ASN 11 2HB ASN 11 12.185 -8.162 1.377 30 1HD2 ASN 11 1HD2 ASN 11 15.246 -9.813 1.279 31 2HD2 ASN 11 2HD2 ASN 11 15.628 -9.363 -0.343 32 H VAL 12 H VAL 12 12.663 -5.021 3.210 33 HA VAL 12 HA VAL 12 10.925 -6.198 5.173 34 HB VAL 12 HB VAL 12 12.556 -3.655 5.502 35 1HG1 VAL 12 1HG1 VAL 12 10.354 -4.730 7.284 36 2HG1 VAL 12 2HG1 VAL 12 10.225 -3.314 6.246 37 3HG1 VAL 12 3HG1 VAL 12 11.349 -3.306 7.603 38 1HG2 VAL 12 1HG2 VAL 12 13.731 -5.696 6.158 39 2HG2 VAL 12 2HG2 VAL 12 12.338 -6.118 7.175 40 3HG2 VAL 12 3HG2 VAL 12 13.311 -4.701 7.566 41 H THR 13 H THR 13 9.053 -5.694 4.875 42 HA THR 13 HA THR 13 8.228 -3.490 3.148 43 HB THR 13 HB THR 13 7.165 -6.213 3.757 44 HG1 THR 13 HG1 THR 13 8.374 -5.074 1.506 45 1HG2 THR 13 1HG2 THR 13 5.901 -4.070 2.040 46 2HG2 THR 13 2HG2 THR 13 5.329 -4.629 3.612 47 3HG2 THR 13 3HG2 THR 13 5.288 -5.724 2.223 48 H THR 14 H THR 14 7.487 -1.970 4.373 49 HA THR 14 HA THR 14 6.785 -2.534 7.081 50 HB THR 14 HB THR 14 6.849 0.016 5.563 51 HG1 THR 14 HG1 THR 14 9.023 0.036 5.939 52 1HG2 THR 14 1HG2 THR 14 6.978 -0.598 8.529 53 2HG2 THR 14 2HG2 THR 14 5.649 0.195 7.687 54 3HG2 THR 14 3HG2 THR 14 7.203 1.020 7.856 55 H VAL 15 H VAL 15 4.840 -2.333 7.881 56 HA VAL 15 HA VAL 15 2.581 -1.872 6.085 57 HB VAL 15 HB VAL 15 2.968 -3.748 8.376 58 1HG1 VAL 15 1HG1 VAL 15 0.404 -3.126 6.879 59 2HG1 VAL 15 2HG1 VAL 15 0.777 -2.679 8.550 60 3HG1 VAL 15 3HG1 VAL 15 0.612 -4.386 8.107 61 1HG2 VAL 15 1HG2 VAL 15 3.771 -4.608 6.308 62 2HG2 VAL 15 2HG2 VAL 15 2.298 -4.064 5.505 63 3HG2 VAL 15 3HG2 VAL 15 2.204 -5.421 6.634 64 H LEU 16 H LEU 16 1.100 -0.484 6.830 65 HA LEU 16 HA LEU 16 1.309 0.198 9.614 66 1HB LEU 16 1HB LEU 16 2.133 2.044 8.143 67 2HB LEU 16 2HB LEU 16 0.538 2.094 7.418 68 HG LEU 16 HG LEU 16 -0.259 2.388 9.863 69 1HD1 LEU 16 1HD1 LEU 16 1.888 2.035 10.927 70 2HD1 LEU 16 2HD1 LEU 16 1.286 3.659 11.244 71 3HD1 LEU 16 3HD1 LEU 16 2.551 3.413 10.046 72 1HD2 LEU 16 1HD2 LEU 16 -0.592 3.886 8.118 73 2HD2 LEU 16 2HD2 LEU 16 1.062 4.503 8.242 74 3HD2 LEU 16 3HD2 LEU 16 -0.109 4.799 9.553 75 H ILE 17 H ILE 17 -0.383 -0.742 10.389 76 HA ILE 17 HA ILE 17 -2.829 -0.990 8.751 77 HB ILE 17 HB ILE 17 -1.443 -2.899 9.746 78 1HG1 ILE 17 1HG1 ILE 17 -3.708 -3.252 8.830 79 2HG1 ILE 17 2HG1 ILE 17 -3.303 -4.379 10.120 80 1HG2 ILE 17 1HG2 ILE 17 -0.929 -2.344 11.823 81 2HG2 ILE 17 2HG2 ILE 17 -2.123 -3.648 12.019 82 3HG2 ILE 17 3HG2 ILE 17 -2.601 -1.965 12.275 83 1HD1 ILE 17 1HD1 ILE 17 -5.066 -1.972 10.290 84 2HD1 ILE 17 2HD1 ILE 17 -4.609 -3.007 11.659 85 3HD1 ILE 17 3HD1 ILE 17 -5.546 -3.680 10.315 86 H ARG 18 H ARG 18 -4.540 0.102 9.216 87 HA ARG 18 HA ARG 18 -4.378 1.914 11.491 88 1HB ARG 18 1HB ARG 18 -6.042 1.981 8.979 89 2HB ARG 18 2HB ARG 18 -6.408 3.008 10.355 90 1HG ARG 18 1HG ARG 18 -5.187 4.292 8.763 91 2HG ARG 18 2HG ARG 18 -4.130 3.985 10.134 92 1HD ARG 18 1HD ARG 18 -2.900 3.732 8.069 93 2HD ARG 18 2HD ARG 18 -3.062 2.162 8.861 94 HE ARG 18 HE ARG 18 -5.154 2.174 7.162 95 1HH1 ARG 18 1HH1 ARG 18 -1.738 2.908 6.659 96 2HH1 ARG 18 2HH1 ARG 18 -1.649 2.327 5.080 97 1HH2 ARG 18 1HH2 ARG 18 -5.115 1.407 4.983 98 2HH2 ARG 18 2HH2 ARG 18 -3.680 1.483 4.061 99 H ARG 19 H ARG 19 -5.338 1.377 13.236 100 HA ARG 19 HA ARG 19 -7.786 -0.233 13.075 101 1HB ARG 19 1HB ARG 19 -5.920 -1.442 14.032 102 2HB ARG 19 2HB ARG 19 -5.652 -0.150 15.193 103 1HG ARG 19 1HG ARG 19 -7.658 -0.608 16.301 104 2HG ARG 19 2HG ARG 19 -8.182 -1.770 15.063 105 1HD ARG 19 1HD ARG 19 -6.133 -3.113 15.646 106 2HD ARG 19 2HD ARG 19 -5.882 -2.035 17.015 107 HE ARG 19 HE ARG 19 -8.463 -3.222 16.759 108 1HH1 ARG 19 1HH1 ARG 19 -5.360 -3.283 18.388 109 2HH1 ARG 19 2HH1 ARG 19 -5.843 -4.447 19.536 110 1HH2 ARG 19 1HH2 ARG 19 -9.092 -4.904 18.313 111 2HH2 ARG 19 2HH2 ARG 19 -7.964 -5.382 19.483 112 HA PRO 20 HA PRO 20 -9.495 3.627 14.802 113 1HB PRO 20 1HB PRO 20 -11.894 1.900 15.086 114 2HB PRO 20 2HB PRO 20 -11.735 3.487 14.320 115 1HG PRO 20 1HG PRO 20 -11.991 1.314 12.824 116 2HG PRO 20 2HG PRO 20 -10.853 2.594 12.357 117 1HD PRO 20 1HD PRO 20 -10.299 -0.045 13.671 118 2HD PRO 20 2HD PRO 20 -9.424 0.774 12.358 119 H ASP 21 H ASP 21 -10.379 0.477 16.270 120 HA ASP 21 HA ASP 21 -9.533 1.283 18.854 121 1HB ASP 21 1HB ASP 21 -11.704 1.083 20.006 122 2HB ASP 21 2HB ASP 21 -11.719 2.414 18.864 123 H LEU 22 H LEU 22 -10.729 -0.524 20.422 124 HA LEU 22 HA LEU 22 -9.282 -2.842 19.658 125 1HB LEU 22 1HB LEU 22 -10.977 -2.266 22.037 126 2HB LEU 22 2HB LEU 22 -10.042 -3.734 21.822 127 HG LEU 22 HG LEU 22 -8.988 -0.931 22.065 128 1HD1 LEU 22 1HD1 LEU 22 -8.666 -3.384 23.739 129 2HD1 LEU 22 2HD1 LEU 22 -9.645 -1.963 24.132 130 3HD1 LEU 22 3HD1 LEU 22 -7.881 -1.825 24.034 131 1HD2 LEU 22 1HD2 LEU 22 -7.764 -2.019 20.406 132 2HD2 LEU 22 2HD2 LEU 22 -7.597 -3.494 21.338 133 3HD2 LEU 22 3HD2 LEU 22 -6.741 -2.011 21.836 134 H ARG 23 H ARG 23 -12.487 -2.020 19.107 135 HA ARG 23 HA ARG 23 -13.453 -4.742 19.178 136 1HB ARG 23 1HB ARG 23 -14.749 -2.208 18.150 137 2HB ARG 23 2HB ARG 23 -15.526 -3.775 18.122 138 1HG ARG 23 1HG ARG 23 -16.366 -2.413 19.962 139 2HG ARG 23 2HG ARG 23 -15.502 -3.829 20.572 140 1HD ARG 23 1HD ARG 23 -13.658 -2.529 21.239 141 2HD ARG 23 2HD ARG 23 -14.179 -1.150 20.281 142 HE ARG 23 HE ARG 23 -16.061 -0.978 21.862 143 1HH1 ARG 23 1HH1 ARG 23 -13.217 -2.783 23.030 144 2HH1 ARG 23 2HH1 ARG 23 -13.190 -2.050 24.559 145 1HH2 ARG 23 1HH2 ARG 23 -16.058 -0.033 24.066 146 2HH2 ARG 23 2HH2 ARG 23 -14.826 -0.459 25.164 147 H TYR 24 H TYR 24 -11.657 -2.905 17.100 148 HA TYR 24 HA TYR 24 -12.546 -4.305 14.688 149 1HB TYR 24 1HB TYR 24 -10.633 -2.017 15.130 150 2HB TYR 24 2HB TYR 24 -10.739 -2.873 13.604 151 HD1 TYR 24 HD1 TYR 24 -12.785 -0.907 16.016 152 HD2 TYR 24 HD2 TYR 24 -12.281 -2.251 12.019 153 HE1 TYR 24 HE1 TYR 24 -14.593 0.583 15.285 154 HE2 TYR 24 HE2 TYR 24 -14.078 -0.772 11.277 155 HH TYR 24 HH TYR 24 -15.319 1.679 13.259 156 H GLN 25 H GLN 25 -11.633 -6.202 14.359 157 HA GLN 25 HA GLN 25 -9.053 -6.691 15.525 158 1HB GLN 25 1HB GLN 25 -11.044 -8.494 14.219 159 2HB GLN 25 2HB GLN 25 -9.389 -9.029 14.494 160 1HG GLN 25 1HG GLN 25 -11.256 -8.011 16.603 161 2HG GLN 25 2HG GLN 25 -10.886 -9.722 16.294 162 1HE2 GLN 25 1HE2 GLN 25 -8.767 -10.452 16.741 163 2HE2 GLN 25 2HE2 GLN 25 -7.763 -9.616 17.871 164 H LEU 26 H LEU 26 -7.343 -7.525 14.457 165 HA LEU 26 HA LEU 26 -6.383 -5.787 12.535 166 1HB LEU 26 1HB LEU 26 -5.263 -8.551 12.996 167 2HB LEU 26 2HB LEU 26 -4.412 -7.138 12.423 168 HG LEU 26 HG LEU 26 -3.613 -7.318 14.550 169 1HD1 LEU 26 1HD1 LEU 26 -5.991 -5.568 14.981 170 2HD1 LEU 26 2HD1 LEU 26 -4.423 -5.080 14.324 171 3HD1 LEU 26 3HD1 LEU 26 -4.561 -5.628 16.004 172 1HD2 LEU 26 1HD2 LEU 26 -4.873 -7.960 16.559 173 2HD2 LEU 26 2HD2 LEU 26 -4.950 -9.198 15.310 174 3HD2 LEU 26 3HD2 LEU 26 -6.334 -8.154 15.599 175 H GLY 27 H GLY 27 -7.404 -9.157 12.101 176 1HA GLY 27 1HA GLY 27 -8.638 -9.835 10.207 177 2HA GLY 27 2HA GLY 27 -7.994 -8.458 9.328 178 H PHE 28 H PHE 28 -6.088 -10.777 11.210 179 HA PHE 28 HA PHE 28 -5.518 -12.381 8.969 180 1HB PHE 28 1HB PHE 28 -3.142 -11.943 8.677 181 2HB PHE 28 2HB PHE 28 -3.970 -10.434 8.444 182 HD1 PHE 28 HD1 PHE 28 -3.774 -8.657 10.175 183 HD2 PHE 28 HD2 PHE 28 -1.580 -12.286 10.460 184 HE1 PHE 28 HE1 PHE 28 -2.248 -7.608 11.791 185 HE2 PHE 28 HE2 PHE 28 -0.059 -11.245 12.086 186 HZ PHE 28 HZ PHE 28 -0.394 -8.902 12.748 187 H SER 29 H SER 29 -3.917 -14.025 9.571 188 HA SER 29 HA SER 29 -3.952 -14.534 12.461 189 1HB SER 29 1HB SER 29 -5.568 -15.980 11.210 190 2HB SER 29 2HB SER 29 -4.217 -16.528 10.215 191 HG SER 29 HG SER 29 -4.598 -16.976 13.014 192 H VAL 30 H VAL 30 -2.003 -15.005 13.281 193 HA VAL 30 HA VAL 30 0.204 -15.282 11.370 194 HB VAL 30 HB VAL 30 -0.150 -13.154 12.955 195 1HG1 VAL 30 1HG1 VAL 30 1.392 -14.927 14.760 196 2HG1 VAL 30 2HG1 VAL 30 -0.247 -14.316 15.047 197 3HG1 VAL 30 3HG1 VAL 30 1.129 -13.197 14.991 198 1HG2 VAL 30 1HG2 VAL 30 1.656 -13.319 11.398 199 2HG2 VAL 30 2HG2 VAL 30 2.533 -14.400 12.482 200 3HG2 VAL 30 3HG2 VAL 30 2.257 -12.721 12.943 201 H GLN 31 H GLN 31 1.672 -16.943 11.817 202 HA GLN 31 HA GLN 31 1.328 -18.327 14.356 203 1HB GLN 31 1HB GLN 31 1.783 -20.479 13.295 204 2HB GLN 31 2HB GLN 31 0.274 -19.804 12.675 205 1HG GLN 31 1HG GLN 31 1.552 -19.141 10.645 206 2HG GLN 31 2HG GLN 31 2.966 -19.950 11.320 207 1HE2 GLN 31 1HE2 GLN 31 2.830 -22.205 11.702 208 2HE2 GLN 31 2HE2 GLN 31 1.783 -23.207 10.764 209 H ASN 32 H ASN 32 3.107 -18.704 15.408 210 HA ASN 32 HA ASN 32 5.258 -18.425 16.080 211 1HB ASN 32 1HB ASN 32 5.437 -20.327 14.454 212 2HB ASN 32 2HB ASN 32 5.893 -19.171 13.214 213 1HD2 ASN 32 1HD2 ASN 32 7.827 -20.044 12.856 214 2HD2 ASN 32 2HD2 ASN 32 9.149 -19.987 13.979 215 H GLY 33 H GLY 33 3.877 -16.073 14.408 216 1HA GLY 33 1HA GLY 33 4.651 -13.823 14.469 217 2HA GLY 33 2HA GLY 33 6.302 -14.413 14.316 218 H ILE 34 H ILE 34 4.377 -16.163 12.248 219 HA ILE 34 HA ILE 34 4.948 -14.380 9.981 220 HB ILE 34 HB ILE 34 5.083 -17.431 10.003 221 1HG1 ILE 34 1HG1 ILE 34 7.454 -17.024 9.121 222 2HG1 ILE 34 2HG1 ILE 34 7.242 -15.348 9.581 223 1HG2 ILE 34 1HG2 ILE 34 5.702 -17.254 7.622 224 2HG2 ILE 34 2HG2 ILE 34 5.402 -15.513 7.720 225 3HG2 ILE 34 3HG2 ILE 34 4.071 -16.649 7.950 226 1HD1 ILE 34 1HD1 ILE 34 7.238 -17.717 11.444 227 2HD1 ILE 34 2HD1 ILE 34 7.003 -16.033 11.920 228 3HD1 ILE 34 3HD1 ILE 34 8.543 -16.547 11.228 229 H ILE 35 H ILE 35 3.320 -13.790 8.879 230 HA ILE 35 HA ILE 35 0.639 -14.385 9.531 231 HB ILE 35 HB ILE 35 1.796 -13.071 7.072 232 1HG1 ILE 35 1HG1 ILE 35 0.673 -11.741 9.521 233 2HG1 ILE 35 2HG1 ILE 35 2.367 -12.203 9.428 234 1HG2 ILE 35 1HG2 ILE 35 -1.011 -13.018 8.240 235 2HG2 ILE 35 2HG2 ILE 35 -0.534 -13.719 6.693 236 3HG2 ILE 35 3HG2 ILE 35 -0.440 -11.980 6.931 237 1HD1 ILE 35 1HD1 ILE 35 1.923 -9.854 8.846 238 2HD1 ILE 35 2HD1 ILE 35 0.995 -10.466 7.446 239 3HD1 ILE 35 3HD1 ILE 35 2.716 -10.797 7.579 240 H CYS 36 H CYS 36 -0.531 -16.085 8.931 241 HA CYS 36 HA CYS 36 0.405 -17.647 6.632 242 1HB CYS 36 1HB CYS 36 0.462 -18.735 8.873 243 2HB CYS 36 2HB CYS 36 -1.290 -18.602 8.934 244 HG CYS 36 HG CYS 36 0.025 -21.130 8.271 245 H SER 37 H SER 37 -2.356 -15.957 7.992 246 HA SER 37 HA SER 37 -3.616 -16.238 5.433 247 1HB SER 37 1HB SER 37 -5.839 -16.695 6.606 248 2HB SER 37 2HB SER 37 -4.714 -18.045 6.501 249 HG SER 37 HG SER 37 -5.256 -18.091 8.534 250 H LEU 38 H LEU 38 -4.944 -14.598 4.921 251 HA LEU 38 HA LEU 38 -4.953 -12.267 6.721 252 1HB LEU 38 1HB LEU 38 -3.270 -11.923 5.036 253 2HB LEU 38 2HB LEU 38 -4.364 -12.433 3.771 254 HG LEU 38 HG LEU 38 -5.685 -10.380 4.081 255 1HD1 LEU 38 1HD1 LEU 38 -5.240 -10.013 6.444 256 2HD1 LEU 38 2HD1 LEU 38 -4.855 -8.598 5.470 257 3HD1 LEU 38 3HD1 LEU 38 -3.555 -9.625 6.067 258 1HD2 LEU 38 1HD2 LEU 38 -3.861 -10.406 2.476 259 2HD2 LEU 38 2HD2 LEU 38 -2.761 -9.911 3.779 260 3HD2 LEU 38 3HD2 LEU 38 -4.029 -8.817 3.250 261 H MET 39 H MET 39 -6.900 -11.263 6.904 262 HA MET 39 HA MET 39 -9.184 -12.522 5.734 263 1HB MET 39 1HB MET 39 -9.312 -11.682 8.009 264 2HB MET 39 2HB MET 39 -8.926 -10.056 7.466 265 1HG MET 39 1HG MET 39 -11.039 -10.005 6.195 266 2HG MET 39 2HG MET 39 -11.430 -11.608 6.812 267 1HE MET 39 1HE MET 39 -11.842 -10.914 10.663 268 2HE MET 39 2HE MET 39 -10.381 -11.444 9.836 269 3HE MET 39 3HE MET 39 -11.946 -12.126 9.386 270 H ARG 40 H ARG 40 -9.931 -12.102 3.903 271 HA ARG 40 HA ARG 40 -8.994 -10.075 2.173 272 1HB ARG 40 1HB ARG 40 -9.869 -12.272 1.446 273 2HB ARG 40 2HB ARG 40 -11.454 -11.810 2.045 274 1HG ARG 40 1HG ARG 40 -11.428 -11.619 -0.344 275 2HG ARG 40 2HG ARG 40 -11.520 -10.005 0.356 276 1HD ARG 40 1HD ARG 40 -9.956 -9.994 -1.472 277 2HD ARG 40 2HD ARG 40 -9.080 -9.772 0.038 278 HE ARG 40 HE ARG 40 -8.991 -12.459 -0.418 279 1HH1 ARG 40 1HH1 ARG 40 -8.023 -9.601 -2.264 280 2HH1 ARG 40 2HH1 ARG 40 -6.749 -10.370 -3.099 281 1HH2 ARG 40 1HH2 ARG 40 -7.224 -13.548 -1.533 282 2HH2 ARG 40 2HH2 ARG 40 -6.299 -12.698 -2.679 283 H GLY 41 H GLY 41 -9.655 -7.954 2.140 284 1HA GLY 41 1HA GLY 41 -11.150 -6.194 2.201 285 2HA GLY 41 2HA GLY 41 -12.384 -7.271 2.838 286 H GLY 42 H GLY 42 -9.656 -7.803 4.598 287 1HA GLY 42 1HA GLY 42 -10.747 -6.322 6.844 288 2HA GLY 42 2HA GLY 42 -9.431 -7.488 6.895 289 H ILE 43 H ILE 43 -9.275 -5.167 8.307 290 HA ILE 43 HA ILE 43 -8.014 -3.065 6.930 291 HB ILE 43 HB ILE 43 -6.926 -2.651 9.333 292 1HG1 ILE 43 1HG1 ILE 43 -9.480 -4.157 9.965 293 2HG1 ILE 43 2HG1 ILE 43 -7.852 -4.696 10.340 294 1HG2 ILE 43 1HG2 ILE 43 -9.666 -1.876 8.434 295 2HG2 ILE 43 2HG2 ILE 43 -8.105 -1.042 8.228 296 3HG2 ILE 43 3HG2 ILE 43 -8.811 -1.185 9.827 297 1HD1 ILE 43 1HD1 ILE 43 -9.213 -2.256 11.472 298 2HD1 ILE 43 2HD1 ILE 43 -7.581 -2.796 11.863 299 3HD1 ILE 43 3HD1 ILE 43 -8.969 -3.794 12.300 300 H ALA 44 H ALA 44 -6.683 -5.944 8.279 301 HA ALA 44 HA ALA 44 -4.001 -5.219 8.146 302 1HB ALA 44 1HB ALA 44 -3.537 -7.605 8.085 303 2HB ALA 44 2HB ALA 44 -5.206 -7.931 7.626 304 3HB ALA 44 3HB ALA 44 -4.850 -7.257 9.214 305 H GLU 45 H GLU 45 -6.128 -6.608 5.678 306 HA GLU 45 HA GLU 45 -4.158 -6.761 3.668 307 1HB GLU 45 1HB GLU 45 -6.229 -8.013 3.497 308 2HB GLU 45 2HB GLU 45 -7.159 -6.520 3.448 309 1HG GLU 45 1HG GLU 45 -6.072 -5.925 1.349 310 2HG GLU 45 2HG GLU 45 -5.181 -7.443 1.385 311 H ARG 46 H ARG 46 -6.492 -4.330 4.575 312 HA ARG 46 HA ARG 46 -6.029 -2.453 2.523 313 1HB ARG 46 1HB ARG 46 -6.725 -1.835 5.401 314 2HB ARG 46 2HB ARG 46 -6.957 -0.776 4.027 315 1HG ARG 46 1HG ARG 46 -8.441 -3.346 4.575 316 2HG ARG 46 2HG ARG 46 -9.063 -1.717 4.811 317 1HD ARG 46 1HD ARG 46 -9.994 -2.217 2.783 318 2HD ARG 46 2HD ARG 46 -8.484 -1.499 2.251 319 HE ARG 46 HE ARG 46 -8.558 -4.393 2.571 320 1HH1 ARG 46 1HH1 ARG 46 -8.237 -1.644 0.408 321 2HH1 ARG 46 2HH1 ARG 46 -8.330 -2.525 -1.035 322 1HH2 ARG 46 1HH2 ARG 46 -8.665 -5.707 0.552 323 2HH2 ARG 46 2HH2 ARG 46 -8.645 -4.884 -0.945 324 H GLY 47 H GLY 47 -4.470 -3.010 5.626 325 1HA GLY 47 1HA GLY 47 -2.770 -0.734 5.593 326 2HA GLY 47 2HA GLY 47 -2.663 -2.116 6.669 327 H GLY 48 H GLY 48 -2.502 -3.811 4.034 328 1HA GLY 48 1HA GLY 48 -0.821 -3.972 2.299 329 2HA GLY 48 2HA GLY 48 0.268 -3.067 3.339 330 H VAL 49 H VAL 49 -1.514 -5.402 5.031 331 HA VAL 49 HA VAL 49 0.798 -6.965 5.597 332 HB VAL 49 HB VAL 49 -2.138 -7.296 6.189 333 1HG1 VAL 49 1HG1 VAL 49 0.166 -8.723 7.482 334 2HG1 VAL 49 2HG1 VAL 49 -0.947 -9.462 6.324 335 3HG1 VAL 49 3HG1 VAL 49 -1.533 -8.938 7.911 336 1HG2 VAL 49 1HG2 VAL 49 -1.268 -5.346 7.253 337 2HG2 VAL 49 2HG2 VAL 49 0.084 -6.271 7.901 338 3HG2 VAL 49 3HG2 VAL 49 -1.552 -6.574 8.490 339 H ARG 50 H ARG 50 1.254 -9.058 4.794 340 HA ARG 50 HA ARG 50 -0.594 -10.369 2.925 341 1HB ARG 50 1HB ARG 50 2.323 -9.853 2.289 342 2HB ARG 50 2HB ARG 50 1.249 -10.895 1.386 343 1HG ARG 50 1HG ARG 50 1.052 -7.907 1.633 344 2HG ARG 50 2HG ARG 50 1.640 -8.817 0.239 345 1HD ARG 50 1HD ARG 50 -1.176 -8.817 1.340 346 2HD ARG 50 2HD ARG 50 -0.645 -8.028 -0.135 347 HE ARG 50 HE ARG 50 -0.773 -10.944 0.298 348 1HH1 ARG 50 1HH1 ARG 50 -0.860 -8.166 -1.969 349 2HH1 ARG 50 2HH1 ARG 50 -1.249 -9.138 -3.295 350 1HH2 ARG 50 1HH2 ARG 50 -1.428 -12.200 -1.539 351 2HH2 ARG 50 2HH2 ARG 50 -1.676 -11.468 -3.049 352 H VAL 51 H VAL 51 -0.180 -12.422 2.614 353 HA VAL 51 HA VAL 51 0.628 -13.831 4.977 354 HB VAL 51 HB VAL 51 -0.494 -14.527 2.322 355 1HG1 VAL 51 1HG1 VAL 51 0.074 -16.469 4.611 356 2HG1 VAL 51 2HG1 VAL 51 0.901 -16.468 3.053 357 3HG1 VAL 51 3HG1 VAL 51 -0.814 -16.887 3.145 358 1HG2 VAL 51 1HG2 VAL 51 -1.634 -14.668 5.083 359 2HG2 VAL 51 2HG2 VAL 51 -2.470 -15.183 3.619 360 3HG2 VAL 51 3HG2 VAL 51 -2.004 -13.490 3.824 361 H GLY 52 H GLY 52 2.356 -15.236 5.182 362 1HA GLY 52 1HA GLY 52 4.313 -16.327 4.521 363 2HA GLY 52 2HA GLY 52 4.224 -15.503 2.963 364 H HIS 53 H HIS 53 3.660 -13.516 5.577 365 HA HIS 53 HA HIS 53 6.377 -12.471 5.375 366 1HB HIS 53 1HB HIS 53 3.764 -11.060 5.694 367 2HB HIS 53 2HB HIS 53 5.222 -10.371 6.401 368 HD1 HIS 53 HD1 HIS 53 5.453 -8.362 4.819 369 HD2 HIS 53 HD2 HIS 53 5.223 -12.021 2.855 370 HE1 HIS 53 HE1 HIS 53 5.961 -7.877 2.431 371 HE2 HIS 53 HE2 HIS 53 6.278 -10.142 1.458 372 H ARG 54 H ARG 54 7.548 -12.178 7.052 373 HA ARG 54 HA ARG 54 6.597 -13.147 9.652 374 1HB ARG 54 1HB ARG 54 8.701 -14.104 8.829 375 2HB ARG 54 2HB ARG 54 9.370 -12.500 8.613 376 1HG ARG 54 1HG ARG 54 9.286 -12.131 11.035 377 2HG ARG 54 2HG ARG 54 8.619 -13.750 11.252 378 1HD ARG 54 1HD ARG 54 11.022 -13.709 11.685 379 2HD ARG 54 2HD ARG 54 10.643 -14.720 10.294 380 HE ARG 54 HE ARG 54 11.550 -11.948 9.957 381 1HH1 ARG 54 1HH1 ARG 54 12.042 -15.458 9.325 382 2HH1 ARG 54 2HH1 ARG 54 13.276 -15.155 8.183 383 1HH2 ARG 54 1HH2 ARG 54 13.307 -11.661 8.330 384 2HH2 ARG 54 2HH2 ARG 54 13.960 -13.059 7.613 385 H ILE 55 H ILE 55 6.015 -11.681 11.078 386 HA ILE 55 HA ILE 55 6.520 -8.899 10.512 387 HB ILE 55 HB ILE 55 5.180 -10.103 12.928 388 1HG1 ILE 55 1HG1 ILE 55 3.982 -9.054 10.360 389 2HG1 ILE 55 2HG1 ILE 55 3.979 -10.733 10.906 390 1HG2 ILE 55 1HG2 ILE 55 5.160 -7.307 11.783 391 2HG2 ILE 55 2HG2 ILE 55 5.981 -7.820 13.257 392 3HG2 ILE 55 3HG2 ILE 55 4.218 -7.858 13.167 393 1HD1 ILE 55 1HD1 ILE 55 2.763 -8.437 12.316 394 2HD1 ILE 55 2HD1 ILE 55 2.666 -10.145 12.788 395 3HD1 ILE 55 3HD1 ILE 55 1.853 -9.581 11.301 396 H ILE 56 H ILE 56 8.232 -7.859 11.217 397 HA ILE 56 HA ILE 56 9.653 -9.016 13.437 398 HB ILE 56 HB ILE 56 11.642 -7.883 12.749 399 1HG1 ILE 56 1HG1 ILE 56 10.052 -6.757 10.440 400 2HG1 ILE 56 2HG1 ILE 56 10.518 -5.850 11.881 401 1HG2 ILE 56 1HG2 ILE 56 10.276 -9.247 10.432 402 2HG2 ILE 56 2HG2 ILE 56 11.186 -10.041 11.712 403 3HG2 ILE 56 3HG2 ILE 56 12.011 -8.980 10.568 404 1HD1 ILE 56 1HD1 ILE 56 12.338 -7.164 9.942 405 2HD1 ILE 56 2HD1 ILE 56 12.803 -6.292 11.405 406 3HD1 ILE 56 3HD1 ILE 56 12.016 -5.415 10.058 407 H GLU 57 H GLU 57 7.576 -6.480 12.803 408 HA GLU 57 HA GLU 57 8.215 -5.239 15.358 409 1HB GLU 57 1HB GLU 57 9.731 -3.958 13.859 410 2HB GLU 57 2HB GLU 57 8.369 -3.617 12.795 411 1HG GLU 57 1HG GLU 57 7.286 -2.416 14.690 412 2HG GLU 57 2HG GLU 57 8.762 -2.631 15.616 413 H ILE 58 H ILE 58 6.592 -4.314 16.257 414 HA ILE 58 HA ILE 58 4.196 -3.736 14.714 415 HB ILE 58 HB ILE 58 4.228 -5.374 17.238 416 1HG1 ILE 58 1HG1 ILE 58 3.119 -6.216 14.569 417 2HG1 ILE 58 2HG1 ILE 58 4.781 -6.557 15.053 418 1HG2 ILE 58 1HG2 ILE 58 1.963 -4.351 15.516 419 2HG2 ILE 58 2HG2 ILE 58 2.344 -3.800 17.142 420 3HG2 ILE 58 3HG2 ILE 58 1.738 -5.446 16.883 421 1HD1 ILE 58 1HD1 ILE 58 2.297 -7.468 16.474 422 2HD1 ILE 58 2HD1 ILE 58 3.985 -7.744 16.951 423 3HD1 ILE 58 3HD1 ILE 58 3.382 -8.444 15.452 424 H ASN 59 H ASN 59 3.835 -1.757 15.198 425 HA ASN 59 HA ASN 59 3.159 0.099 16.333 426 1HB ASN 59 1HB ASN 59 2.011 -1.699 17.794 427 2HB ASN 59 2HB ASN 59 3.329 -1.465 18.927 428 1HD2 ASN 59 1HD2 ASN 59 0.498 -0.062 17.497 429 2HD2 ASN 59 2HD2 ASN 59 0.324 1.236 18.617 430 H GLY 60 H GLY 60 6.023 -0.847 16.079 431 1HA GLY 60 1HA GLY 60 7.751 0.845 16.255 432 2HA GLY 60 2HA GLY 60 7.106 1.246 17.834 433 H GLN 61 H GLN 61 6.950 -1.954 18.024 434 HA GLN 61 HA GLN 61 9.749 -2.146 18.839 435 1HB GLN 61 1HB GLN 61 9.075 -3.608 20.707 436 2HB GLN 61 2HB GLN 61 8.494 -1.961 20.865 437 1HG GLN 61 1HG GLN 61 6.273 -2.723 20.097 438 2HG GLN 61 2HG GLN 61 6.891 -4.378 20.055 439 1HE2 GLN 61 1HE2 GLN 61 5.448 -5.067 21.631 440 2HE2 GLN 61 2HE2 GLN 61 5.612 -4.647 23.291 441 H SER 62 H SER 62 10.879 -3.935 18.692 442 HA SER 62 HA SER 62 10.183 -5.470 16.395 443 1HB SER 62 1HB SER 62 12.565 -5.643 18.261 444 2HB SER 62 2HB SER 62 12.418 -6.455 16.700 445 HG SER 62 HG SER 62 13.031 -3.842 17.285 446 H VAL 63 H VAL 63 8.800 -7.102 16.564 447 HA VAL 63 HA VAL 63 8.542 -8.480 19.113 448 HB VAL 63 HB VAL 63 6.354 -9.081 18.272 449 1HG1 VAL 63 1HG1 VAL 63 5.374 -6.786 18.158 450 2HG1 VAL 63 2HG1 VAL 63 6.995 -6.121 17.918 451 3HG1 VAL 63 3HG1 VAL 63 6.601 -6.920 19.414 452 1HG2 VAL 63 1HG2 VAL 63 7.043 -9.303 15.912 453 2HG2 VAL 63 2HG2 VAL 63 7.105 -7.542 15.773 454 3HG2 VAL 63 3HG2 VAL 63 5.574 -8.358 16.086 455 H VAL 64 H VAL 64 10.449 -8.758 16.761 456 HA VAL 64 HA VAL 64 9.819 -11.270 15.589 457 HB VAL 64 HB VAL 64 11.269 -9.332 14.709 458 1HG1 VAL 64 1HG1 VAL 64 13.359 -10.792 16.225 459 2HG1 VAL 64 2HG1 VAL 64 12.822 -9.126 16.442 460 3HG1 VAL 64 3HG1 VAL 64 13.671 -9.598 14.962 461 1HG2 VAL 64 1HG2 VAL 64 10.817 -11.191 13.420 462 2HG2 VAL 64 2HG2 VAL 64 11.984 -12.212 14.289 463 3HG2 VAL 64 3HG2 VAL 64 12.546 -10.872 13.261 464 H ALA 65 H ALA 65 11.204 -10.327 18.509 465 HA ALA 65 HA ALA 65 12.165 -13.061 19.021 466 1HB ALA 65 1HB ALA 65 13.594 -12.068 20.736 467 2HB ALA 65 2HB ALA 65 12.918 -10.475 20.362 468 3HB ALA 65 3HB ALA 65 13.876 -11.328 19.154 469 H THR 66 H THR 66 9.467 -11.437 19.298 470 HA THR 66 HA THR 66 8.884 -11.727 22.076 471 HB THR 66 HB THR 66 7.446 -10.615 19.632 472 HG1 THR 66 HG1 THR 66 9.262 -9.631 21.421 473 1HG2 THR 66 1HG2 THR 66 6.701 -10.350 22.554 474 2HG2 THR 66 2HG2 THR 66 5.859 -11.358 21.367 475 3HG2 THR 66 3HG2 THR 66 5.886 -9.605 21.168 476 HA PRO 67 HA PRO 67 7.159 -15.787 21.168 477 1HB PRO 67 1HB PRO 67 5.362 -15.888 23.286 478 2HB PRO 67 2HB PRO 67 7.043 -16.401 23.358 479 1HG PRO 67 1HG PRO 67 5.787 -13.926 24.372 480 2HG PRO 67 2HG PRO 67 7.225 -14.776 24.940 481 1HD PRO 67 1HD PRO 67 7.267 -12.442 23.477 482 2HD PRO 67 2HD PRO 67 8.609 -13.594 23.572 483 H HIS 68 H HIS 68 5.242 -16.715 20.460 484 HA HIS 68 HA HIS 68 3.721 -15.263 18.707 485 1HB HIS 68 1HB HIS 68 3.801 -17.617 18.442 486 2HB HIS 68 2HB HIS 68 3.097 -17.894 20.022 487 HD1 HIS 68 HD1 HIS 68 2.140 -16.905 16.514 488 HD2 HIS 68 HD2 HIS 68 0.296 -17.893 20.092 489 HE1 HIS 68 HE1 HIS 68 -0.289 -17.168 15.977 490 HE2 HIS 68 HE2 HIS 68 -1.229 -18.181 18.036 491 H GLU 69 H GLU 69 2.592 -16.290 21.936 492 HA GLU 69 HA GLU 69 0.107 -15.069 21.467 493 1HB GLU 69 1HB GLU 69 0.338 -16.969 22.964 494 2HB GLU 69 2HB GLU 69 1.306 -15.993 24.058 495 1HG GLU 69 1HG GLU 69 -0.531 -14.662 24.666 496 2HG GLU 69 2HG GLU 69 -1.493 -15.262 23.317 497 H LYS 70 H LYS 70 3.079 -13.926 22.944 498 HA LYS 70 HA LYS 70 1.983 -11.540 23.895 499 1HB LYS 70 1HB LYS 70 4.657 -12.540 23.491 500 2HB LYS 70 2HB LYS 70 4.546 -10.882 22.968 501 1HG LYS 70 1HG LYS 70 3.388 -10.394 25.166 502 2HG LYS 70 2HG LYS 70 3.938 -11.988 25.677 503 1HD LYS 70 1HD LYS 70 6.240 -11.335 25.255 504 2HD LYS 70 2HD LYS 70 5.692 -9.754 24.687 505 1HE LYS 70 1HE LYS 70 5.351 -10.895 27.445 506 2HE LYS 70 2HE LYS 70 6.459 -9.598 26.952 507 1HZ LYS 70 1HZ LYS 70 3.485 -9.448 26.858 508 2HZ LYS 70 2HZ LYS 70 4.566 -8.198 26.455 509 3HZ LYS 70 3HZ LYS 70 4.454 -8.752 28.041 510 H ILE 71 H ILE 71 3.520 -12.283 20.840 511 HA ILE 71 HA ILE 71 3.225 -9.882 19.514 512 HB ILE 71 HB ILE 71 2.872 -12.673 18.347 513 1HG1 ILE 71 1HG1 ILE 71 5.286 -10.869 18.545 514 2HG1 ILE 71 2HG1 ILE 71 5.014 -12.354 19.441 515 1HG2 ILE 71 1HG2 ILE 71 3.408 -11.726 16.181 516 2HG2 ILE 71 2HG2 ILE 71 3.524 -10.121 16.905 517 3HG2 ILE 71 3HG2 ILE 71 1.957 -10.944 16.835 518 1HD1 ILE 71 1HD1 ILE 71 5.148 -13.637 17.364 519 2HD1 ILE 71 2HD1 ILE 71 6.593 -12.645 17.630 520 3HD1 ILE 71 3HD1 ILE 71 5.385 -12.130 16.466 521 H VAL 72 H VAL 72 0.824 -12.443 19.855 522 HA VAL 72 HA VAL 72 -1.243 -11.091 18.441 523 HB VAL 72 HB VAL 72 -1.439 -13.332 20.484 524 1HG1 VAL 72 1HG1 VAL 72 -3.520 -12.362 18.516 525 2HG1 VAL 72 2HG1 VAL 72 -3.587 -12.175 20.269 526 3HG1 VAL 72 3HG1 VAL 72 -3.663 -13.786 19.549 527 1HG2 VAL 72 1HG2 VAL 72 -1.665 -14.788 18.520 528 2HG2 VAL 72 2HG2 VAL 72 -0.131 -13.909 18.526 529 3HG2 VAL 72 3HG2 VAL 72 -1.443 -13.381 17.476 530 H HIS 73 H HIS 73 -0.184 -11.071 21.763 531 HA HIS 73 HA HIS 73 -2.491 -9.834 22.893 532 1HB HIS 73 1HB HIS 73 -0.794 -11.218 24.168 533 2HB HIS 73 2HB HIS 73 0.332 -9.881 23.997 534 HD1 HIS 73 HD1 HIS 73 -2.409 -11.152 26.080 535 HD2 HIS 73 HD2 HIS 73 -0.438 -7.532 25.527 536 HE1 HIS 73 HE1 HIS 73 -3.016 -9.743 28.055 537 HE2 HIS 73 HE2 HIS 73 -1.867 -7.549 27.694 538 H ILE 74 H ILE 74 0.672 -8.713 21.778 539 HA ILE 74 HA ILE 74 0.319 -6.017 22.396 540 HB ILE 74 HB ILE 74 2.073 -7.482 20.405 541 1HG1 ILE 74 1HG1 ILE 74 3.950 -6.323 21.702 542 2HG1 ILE 74 2HG1 ILE 74 2.723 -5.783 22.830 543 1HG2 ILE 74 1HG2 ILE 74 1.929 -4.501 20.603 544 2HG2 ILE 74 2HG2 ILE 74 1.470 -5.524 19.234 545 3HG2 ILE 74 3HG2 ILE 74 3.165 -5.420 19.729 546 1HD1 ILE 74 1HD1 ILE 74 3.445 -8.658 22.267 547 2HD1 ILE 74 2HD1 ILE 74 2.277 -8.091 23.448 548 3HD1 ILE 74 3HD1 ILE 74 3.982 -7.722 23.661 549 H LEU 75 H LEU 75 -0.352 -7.871 19.432 550 HA LEU 75 HA LEU 75 -1.432 -5.775 17.923 551 1HB LEU 75 1HB LEU 75 -1.855 -8.736 17.803 552 2HB LEU 75 2HB LEU 75 -2.615 -7.638 16.671 553 HG LEU 75 HG LEU 75 0.360 -7.871 17.062 554 1HD1 LEU 75 1HD1 LEU 75 -1.428 -9.041 14.930 555 2HD1 LEU 75 2HD1 LEU 75 -0.568 -9.947 16.177 556 3HD1 LEU 75 3HD1 LEU 75 0.337 -9.082 14.934 557 1HD2 LEU 75 1HD2 LEU 75 -0.389 -5.697 16.217 558 2HD2 LEU 75 2HD2 LEU 75 -1.321 -6.499 14.959 559 3HD2 LEU 75 3HD2 LEU 75 0.442 -6.611 14.959 560 H SER 76 H SER 76 -3.095 -8.098 19.990 561 HA SER 76 HA SER 76 -5.688 -7.258 19.394 562 1HB SER 76 1HB SER 76 -4.680 -8.546 21.941 563 2HB SER 76 2HB SER 76 -6.372 -8.445 21.444 564 HG SER 76 HG SER 76 -4.250 -9.830 20.185 565 H ASN 77 H ASN 77 -3.332 -5.812 21.492 566 HA ASN 77 HA ASN 77 -5.415 -4.152 22.724 567 1HB ASN 77 1HB ASN 77 -2.592 -4.732 23.579 568 2HB ASN 77 2HB ASN 77 -3.524 -3.407 24.273 569 1HD2 ASN 77 1HD2 ASN 77 -3.215 -6.868 24.013 570 2HD2 ASN 77 2HD2 ASN 77 -4.282 -7.241 25.333 571 H ALA 78 H ALA 78 -2.934 -3.894 20.360 572 HA ALA 78 HA ALA 78 -2.670 -1.039 20.768 573 1HB ALA 78 1HB ALA 78 -0.953 -1.148 19.021 574 2HB ALA 78 2HB ALA 78 -1.339 -2.845 18.731 575 3HB ALA 78 3HB ALA 78 -0.655 -2.348 20.276 576 H VAL 79 H VAL 79 -3.612 0.495 19.564 577 HA VAL 79 HA VAL 79 -4.989 -0.349 17.120 578 HB VAL 79 HB VAL 79 -7.013 0.700 17.658 579 1HG1 VAL 79 1HG1 VAL 79 -7.738 0.198 19.788 580 2HG1 VAL 79 2HG1 VAL 79 -6.070 -0.119 20.265 581 3HG1 VAL 79 3HG1 VAL 79 -6.821 -1.074 18.977 582 1HG2 VAL 79 1HG2 VAL 79 -6.112 2.898 18.088 583 2HG2 VAL 79 2HG2 VAL 79 -5.734 2.421 19.768 584 3HG2 VAL 79 3HG2 VAL 79 -7.420 2.434 19.168 585 H GLY 80 H GLY 80 -5.692 2.060 16.059 586 1HA GLY 80 1HA GLY 80 -4.953 4.139 15.346 587 2HA GLY 80 2HA GLY 80 -3.487 3.933 16.305 588 H GLU 81 H GLU 81 -2.565 4.741 14.204 589 HA GLU 81 HA GLU 81 -2.261 2.780 12.144 590 1HB GLU 81 1HB GLU 81 -0.365 5.058 12.781 591 2HB GLU 81 2HB GLU 81 -0.533 4.153 11.285 592 1HG GLU 81 1HG GLU 81 -1.560 6.080 10.723 593 2HG GLU 81 2HG GLU 81 -2.940 5.139 11.293 594 H ILE 82 H ILE 82 -0.951 1.003 12.208 595 HA ILE 82 HA ILE 82 0.856 0.892 14.507 596 HB ILE 82 HB ILE 82 -0.824 -1.317 13.324 597 1HG1 ILE 82 1HG1 ILE 82 -1.062 -0.112 16.070 598 2HG1 ILE 82 2HG1 ILE 82 -2.043 0.397 14.699 599 1HG2 ILE 82 1HG2 ILE 82 1.035 -1.351 15.705 600 2HG2 ILE 82 2HG2 ILE 82 1.333 -2.120 14.149 601 3HG2 ILE 82 3HG2 ILE 82 0.020 -2.694 15.178 602 1HD1 ILE 82 1HD1 ILE 82 -2.930 -1.830 14.492 603 2HD1 ILE 82 2HD1 ILE 82 -3.226 -1.169 16.103 604 3HD1 ILE 82 3HD1 ILE 82 -1.952 -2.375 15.859 605 H HIS 83 H HIS 83 2.684 0.725 14.114 606 HA HIS 83 HA HIS 83 3.607 0.407 11.398 607 1HB HIS 83 1HB HIS 83 4.333 1.991 13.424 608 2HB HIS 83 2HB HIS 83 5.446 0.651 13.675 609 HD1 HIS 83 HD1 HIS 83 7.481 0.722 12.339 610 HD2 HIS 83 HD2 HIS 83 4.302 2.822 10.829 611 HE1 HIS 83 HE1 HIS 83 8.460 1.964 10.355 612 HE2 HIS 83 HE2 HIS 83 6.615 3.601 9.818 613 H MET 84 H MET 84 3.814 -1.477 10.677 614 HA MET 84 HA MET 84 5.059 -3.459 12.375 615 1HB MET 84 1HB MET 84 2.963 -3.479 10.328 616 2HB MET 84 2HB MET 84 3.936 -4.931 10.613 617 1HG MET 84 1HG MET 84 3.137 -5.094 12.834 618 2HG MET 84 2HG MET 84 2.410 -3.489 12.766 619 1HE MET 84 1HE MET 84 2.525 -6.537 10.377 620 2HE MET 84 2HE MET 84 2.008 -5.086 9.499 621 3HE MET 84 3HE MET 84 0.885 -6.447 9.677 622 H LYS 85 H LYS 85 6.737 -4.568 11.419 623 HA LYS 85 HA LYS 85 7.521 -3.693 8.727 624 1HB LYS 85 1HB LYS 85 9.332 -4.407 11.069 625 2HB LYS 85 2HB LYS 85 9.877 -4.007 9.445 626 1HG LYS 85 1HG LYS 85 8.159 -1.983 10.670 627 2HG LYS 85 2HG LYS 85 9.683 -2.243 11.512 628 1HD LYS 85 1HD LYS 85 9.609 -1.866 8.546 629 2HD LYS 85 2HD LYS 85 9.576 -0.461 9.626 630 1HE LYS 85 1HE LYS 85 11.659 -1.292 10.665 631 2HE LYS 85 2HE LYS 85 11.703 -2.611 9.501 632 1HZ LYS 85 1HZ LYS 85 11.771 0.280 8.821 633 2HZ LYS 85 2HZ LYS 85 11.948 -0.973 7.712 634 3HZ LYS 85 3HZ LYS 85 13.120 -0.709 8.896 635 H THR 86 H THR 86 7.366 -5.354 7.411 636 HA THR 86 HA THR 86 7.511 -7.991 8.659 637 HB THR 86 HB THR 86 5.866 -8.799 7.075 638 HG1 THR 86 HG1 THR 86 5.947 -6.127 6.086 639 1HG2 THR 86 1HG2 THR 86 4.884 -6.280 8.427 640 2HG2 THR 86 2HG2 THR 86 5.049 -7.852 9.191 641 3HG2 THR 86 3HG2 THR 86 3.863 -7.617 7.899 642 H MET 87 H MET 87 8.551 -9.611 7.526 643 HA MET 87 HA MET 87 10.099 -8.714 5.180 644 1HB MET 87 1HB MET 87 10.817 -10.826 7.257 645 2HB MET 87 2HB MET 87 11.825 -10.372 5.897 646 1HG MET 87 1HG MET 87 12.024 -8.111 6.852 647 2HG MET 87 2HG MET 87 11.091 -8.649 8.250 648 1HE MET 87 1HE MET 87 14.498 -8.678 6.381 649 2HE MET 87 2HE MET 87 14.003 -10.353 6.122 650 3HE MET 87 3HE MET 87 15.378 -9.991 7.161 651 HA PRO 88 HA PRO 88 8.027 -12.082 3.049 652 1HB PRO 88 1HB PRO 88 9.971 -13.240 1.549 653 2HB PRO 88 2HB PRO 88 9.305 -11.644 1.173 654 1HG PRO 88 1HG PRO 88 11.825 -12.347 2.634 655 2HG PRO 88 2HG PRO 88 11.577 -11.154 1.346 656 1HD PRO 88 1HD PRO 88 11.699 -10.410 3.911 657 2HD PRO 88 2HD PRO 88 10.594 -9.616 2.775 658 H ALA 89 H ALA 89 9.438 -12.624 5.627 659 HA ALA 89 HA ALA 89 9.848 -14.272 7.125 660 1HB ALA 89 1HB ALA 89 8.647 -16.380 6.880 661 2HB ALA 89 2HB ALA 89 8.342 -16.009 5.168 662 3HB ALA 89 3HB ALA 89 7.654 -14.988 6.435 663 H ALA 90 H ALA 90 11.674 -13.767 4.903 664 HA ALA 90 HA ALA 90 13.207 -16.237 4.945 665 1HB ALA 90 1HB ALA 90 14.528 -15.161 3.152 666 2HB ALA 90 2HB ALA 90 13.503 -13.731 3.265 667 3HB ALA 90 3HB ALA 90 12.821 -15.264 2.708 Start of MODEL 15 1 H GLU 7 1H GLU 7 18.764 0.865 10.947 2 HA GLU 7 HA GLU 7 18.227 0.951 8.065 3 1HB GLU 7 1HB GLU 7 20.474 -0.258 9.695 4 2HB GLU 7 2HB GLU 7 20.050 -0.872 8.114 5 1HG GLU 7 1HG GLU 7 21.984 0.642 8.070 6 2HG GLU 7 2HG GLU 7 20.645 1.228 7.088 7 H THR 8 H THR 8 17.652 -1.099 7.248 8 HA THR 8 HA THR 8 17.041 -3.246 9.048 9 HB THR 8 HB THR 8 14.759 -3.467 7.733 10 HG1 THR 8 HG1 THR 8 15.258 -1.473 6.509 11 1HG2 THR 8 1HG2 THR 8 15.048 -1.515 10.025 12 2HG2 THR 8 2HG2 THR 8 14.885 -3.266 10.175 13 3HG2 THR 8 3HG2 THR 8 13.547 -2.305 9.545 14 H MET 9 H MET 9 18.288 -4.667 8.113 15 HA MET 9 HA MET 9 18.550 -4.675 5.224 16 1HB MET 9 1HB MET 9 20.591 -4.884 6.536 17 2HB MET 9 2HB MET 9 19.977 -6.348 7.288 18 1HG MET 9 1HG MET 9 21.585 -6.861 5.526 19 2HG MET 9 2HG MET 9 19.979 -7.489 5.146 20 1HE MET 9 1HE MET 9 20.537 -7.821 2.591 21 2HE MET 9 2HE MET 9 22.188 -7.303 2.928 22 3HE MET 9 3HE MET 9 21.295 -6.582 1.589 23 H GLY 10 H GLY 10 17.412 -5.853 3.955 24 1HA GLY 10 1HA GLY 10 17.045 -8.318 3.489 25 2HA GLY 10 2HA GLY 10 16.083 -8.260 4.969 26 H ASN 11 H ASN 11 14.400 -8.941 3.430 27 HA ASN 11 HA ASN 11 13.374 -6.689 1.910 28 1HB ASN 11 1HB ASN 11 13.365 -8.843 0.712 29 2HB ASN 11 2HB ASN 11 12.415 -9.573 1.998 30 1HD2 ASN 11 1HD2 ASN 11 12.362 -7.346 -0.704 31 2HD2 ASN 11 2HD2 ASN 11 10.652 -7.263 -0.855 32 H VAL 12 H VAL 12 12.816 -5.407 3.461 33 HA VAL 12 HA VAL 12 10.825 -6.356 5.337 34 HB VAL 12 HB VAL 12 12.831 -4.164 5.547 35 1HG1 VAL 12 1HG1 VAL 12 10.463 -4.743 7.354 36 2HG1 VAL 12 2HG1 VAL 12 10.596 -3.356 6.304 37 3HG1 VAL 12 3HG1 VAL 12 11.692 -3.510 7.704 38 1HG2 VAL 12 1HG2 VAL 12 13.644 -6.292 6.325 39 2HG2 VAL 12 2HG2 VAL 12 12.174 -6.484 7.308 40 3HG2 VAL 12 3HG2 VAL 12 13.335 -5.223 7.711 41 H THR 13 H THR 13 9.054 -5.800 4.914 42 HA THR 13 HA THR 13 8.404 -3.355 3.439 43 HB THR 13 HB THR 13 7.269 -6.073 3.633 44 HG1 THR 13 HG1 THR 13 8.968 -5.116 1.899 45 1HG2 THR 13 1HG2 THR 13 5.417 -5.347 2.110 46 2HG2 THR 13 2HG2 THR 13 5.998 -3.682 2.295 47 3HG2 THR 13 3HG2 THR 13 5.403 -4.573 3.700 48 H THR 14 H THR 14 7.681 -1.948 4.771 49 HA THR 14 HA THR 14 6.765 -2.624 7.373 50 HB THR 14 HB THR 14 6.721 -0.019 5.914 51 HG1 THR 14 HG1 THR 14 8.829 -0.503 5.907 52 1HG2 THR 14 1HG2 THR 14 6.775 -0.696 8.869 53 2HG2 THR 14 2HG2 THR 14 5.430 0.013 7.988 54 3HG2 THR 14 3HG2 THR 14 6.908 0.946 8.237 55 H VAL 15 H VAL 15 4.748 -2.471 8.070 56 HA VAL 15 HA VAL 15 2.619 -2.001 6.110 57 HB VAL 15 HB VAL 15 2.777 -4.028 8.304 58 1HG1 VAL 15 1HG1 VAL 15 0.391 -3.270 6.574 59 2HG1 VAL 15 2HG1 VAL 15 0.566 -2.934 8.305 60 3HG1 VAL 15 3HG1 VAL 15 0.479 -4.606 7.733 61 1HG2 VAL 15 1HG2 VAL 15 3.765 -4.782 6.280 62 2HG2 VAL 15 2HG2 VAL 15 2.404 -4.118 5.374 63 3HG2 VAL 15 3HG2 VAL 15 2.138 -5.545 6.388 64 H LEU 16 H LEU 16 1.377 -0.449 6.640 65 HA LEU 16 HA LEU 16 1.239 0.255 9.461 66 1HB LEU 16 1HB LEU 16 1.956 2.065 7.911 67 2HB LEU 16 2HB LEU 16 0.380 1.947 7.136 68 HG LEU 16 HG LEU 16 -0.610 2.333 9.425 69 1HD1 LEU 16 1HD1 LEU 16 2.190 3.207 9.988 70 2HD1 LEU 16 2HD1 LEU 16 1.295 1.904 10.774 71 3HD1 LEU 16 3HD1 LEU 16 0.786 3.578 10.977 72 1HD2 LEU 16 1HD2 LEU 16 -0.625 3.927 7.678 73 2HD2 LEU 16 2HD2 LEU 16 0.986 4.509 8.191 74 3HD2 LEU 16 3HD2 LEU 16 -0.432 4.639 9.291 75 H ILE 17 H ILE 17 -0.421 -0.568 10.372 76 HA ILE 17 HA ILE 17 -2.877 -1.008 8.806 77 HB ILE 17 HB ILE 17 -1.442 -2.822 9.994 78 1HG1 ILE 17 1HG1 ILE 17 -3.649 -3.282 8.940 79 2HG1 ILE 17 2HG1 ILE 17 -3.313 -4.323 10.317 80 1HG2 ILE 17 1HG2 ILE 17 -2.338 -3.405 12.259 81 2HG2 ILE 17 2HG2 ILE 17 -2.737 -1.671 12.347 82 3HG2 ILE 17 3HG2 ILE 17 -1.067 -2.219 12.005 83 1HD1 ILE 17 1HD1 ILE 17 -5.171 -1.970 10.201 84 2HD1 ILE 17 2HD1 ILE 17 -4.736 -2.816 11.685 85 3HD1 ILE 17 3HD1 ILE 17 -5.578 -3.686 10.399 86 H ARG 18 H ARG 18 -4.671 0.003 9.407 87 HA ARG 18 HA ARG 18 -4.413 1.851 11.652 88 1HB ARG 18 1HB ARG 18 -6.061 1.992 9.128 89 2HB ARG 18 2HB ARG 18 -6.432 2.979 10.526 90 1HG ARG 18 1HG ARG 18 -5.189 4.258 8.903 91 2HG ARG 18 2HG ARG 18 -4.228 4.037 10.356 92 1HD ARG 18 1HD ARG 18 -2.854 3.790 8.372 93 2HD ARG 18 2HD ARG 18 -2.962 2.266 9.242 94 HE ARG 18 HE ARG 18 -4.550 1.517 7.546 95 1HH1 ARG 18 1HH1 ARG 18 -2.678 4.425 6.693 96 2HH1 ARG 18 2HH1 ARG 18 -2.554 4.055 5.044 97 1HH2 ARG 18 1HH2 ARG 18 -4.442 1.038 5.184 98 2HH2 ARG 18 2HH2 ARG 18 -3.634 2.139 4.176 99 H ARG 19 H ARG 19 -5.164 0.892 13.339 100 HA ARG 19 HA ARG 19 -7.661 -0.577 13.099 101 1HB ARG 19 1HB ARG 19 -6.069 -1.917 14.232 102 2HB ARG 19 2HB ARG 19 -5.567 -0.580 15.267 103 1HG ARG 19 1HG ARG 19 -7.775 -0.552 16.301 104 2HG ARG 19 2HG ARG 19 -8.258 -1.913 15.298 105 1HD ARG 19 1HD ARG 19 -5.890 -2.089 17.117 106 2HD ARG 19 2HD ARG 19 -7.546 -2.319 17.696 107 HE ARG 19 HE ARG 19 -7.368 -3.902 15.601 108 1HH1 ARG 19 1HH1 ARG 19 -5.181 -3.458 18.293 109 2HH1 ARG 19 2HH1 ARG 19 -4.817 -5.130 18.446 110 1HH2 ARG 19 1HH2 ARG 19 -6.824 -6.226 15.893 111 2HH2 ARG 19 2HH2 ARG 19 -5.792 -6.687 17.161 112 HA PRO 20 HA PRO 20 -9.587 3.191 14.715 113 1HB PRO 20 1HB PRO 20 -11.888 1.306 14.865 114 2HB PRO 20 2HB PRO 20 -11.811 2.919 14.151 115 1HG PRO 20 1HG PRO 20 -11.847 0.781 12.593 116 2HG PRO 20 2HG PRO 20 -10.794 2.152 12.204 117 1HD PRO 20 1HD PRO 20 -10.092 -0.488 13.423 118 2HD PRO 20 2HD PRO 20 -9.213 0.480 12.219 119 H ASP 21 H ASP 21 -10.119 -0.061 16.074 120 HA ASP 21 HA ASP 21 -9.407 0.532 18.673 121 1HB ASP 21 1HB ASP 21 -11.521 0.471 19.838 122 2HB ASP 21 2HB ASP 21 -11.630 1.751 18.640 123 H LEU 22 H LEU 22 -10.473 -1.458 20.058 124 HA LEU 22 HA LEU 22 -9.172 -3.638 18.792 125 1HB LEU 22 1HB LEU 22 -10.679 -3.518 21.357 126 2HB LEU 22 2HB LEU 22 -9.730 -4.888 20.806 127 HG LEU 22 HG LEU 22 -8.727 -2.145 21.489 128 1HD1 LEU 22 1HD1 LEU 22 -8.221 -4.868 22.620 129 2HD1 LEU 22 2HD1 LEU 22 -9.178 -3.576 23.366 130 3HD1 LEU 22 3HD1 LEU 22 -7.429 -3.381 23.147 131 1HD2 LEU 22 1HD2 LEU 22 -7.617 -2.959 19.499 132 2HD2 LEU 22 2HD2 LEU 22 -7.250 -4.481 20.276 133 3HD2 LEU 22 3HD2 LEU 22 -6.498 -2.978 20.854 134 H ARG 23 H ARG 23 -12.426 -2.768 18.804 135 HA ARG 23 HA ARG 23 -13.372 -5.434 18.437 136 1HB ARG 23 1HB ARG 23 -14.730 -2.786 17.925 137 2HB ARG 23 2HB ARG 23 -15.535 -4.349 17.782 138 1HG ARG 23 1HG ARG 23 -15.132 -4.811 20.125 139 2HG ARG 23 2HG ARG 23 -14.247 -3.295 20.295 140 1HD ARG 23 1HD ARG 23 -16.301 -2.072 19.701 141 2HD ARG 23 2HD ARG 23 -17.164 -3.602 19.605 142 HE ARG 23 HE ARG 23 -16.587 -3.901 21.990 143 1HH1 ARG 23 1HH1 ARG 23 -16.544 -0.586 20.698 144 2HH1 ARG 23 2HH1 ARG 23 -17.076 0.144 22.134 145 1HH2 ARG 23 1HH2 ARG 23 -17.392 -2.899 23.964 146 2HH2 ARG 23 2HH2 ARG 23 -17.568 -1.202 24.059 147 H TYR 24 H TYR 24 -11.686 -3.381 16.450 148 HA TYR 24 HA TYR 24 -12.836 -4.465 14.041 149 1HB TYR 24 1HB TYR 24 -10.838 -2.317 14.567 150 2HB TYR 24 2HB TYR 24 -10.928 -3.052 12.968 151 HD1 TYR 24 HD1 TYR 24 -12.452 -2.283 11.430 152 HD2 TYR 24 HD2 TYR 24 -13.081 -1.436 15.542 153 HE1 TYR 24 HE1 TYR 24 -14.371 -0.878 10.834 154 HE2 TYR 24 HE2 TYR 24 -14.999 -0.024 14.960 155 HH TYR 24 HH TYR 24 -16.349 0.014 11.787 156 H GLN 25 H GLN 25 -10.324 -5.140 16.184 157 HA GLN 25 HA GLN 25 -8.536 -6.440 16.204 158 1HB GLN 25 1HB GLN 25 -10.367 -8.077 14.470 159 2HB GLN 25 2HB GLN 25 -8.834 -8.699 15.080 160 1HG GLN 25 1HG GLN 25 -9.553 -8.206 17.356 161 2HG GLN 25 2HG GLN 25 -11.116 -7.677 16.744 162 1HE2 GLN 25 1HE2 GLN 25 -9.356 -10.431 15.445 163 2HE2 GLN 25 2HE2 GLN 25 -10.477 -11.604 16.036 164 H LEU 26 H LEU 26 -7.589 -8.245 13.943 165 HA LEU 26 HA LEU 26 -6.047 -6.111 12.612 166 1HB LEU 26 1HB LEU 26 -5.524 -9.092 12.704 167 2HB LEU 26 2HB LEU 26 -4.494 -7.897 11.975 168 HG LEU 26 HG LEU 26 -3.408 -8.526 13.907 169 1HD1 LEU 26 1HD1 LEU 26 -4.841 -6.014 14.600 170 2HD1 LEU 26 2HD1 LEU 26 -3.333 -6.171 13.692 171 3HD1 LEU 26 3HD1 LEU 26 -3.397 -6.619 15.403 172 1HD2 LEU 26 1HD2 LEU 26 -5.160 -9.782 15.007 173 2HD2 LEU 26 2HD2 LEU 26 -5.992 -8.291 15.439 174 3HD2 LEU 26 3HD2 LEU 26 -4.420 -8.659 16.151 175 H GLY 27 H GLY 27 -7.574 -9.202 11.856 176 1HA GLY 27 1HA GLY 27 -8.993 -9.432 9.928 177 2HA GLY 27 2HA GLY 27 -8.046 -8.166 9.142 178 H PHE 28 H PHE 28 -5.923 -10.036 10.819 179 HA PHE 28 HA PHE 28 -5.654 -12.067 8.763 180 1HB PHE 28 1HB PHE 28 -3.295 -11.706 8.445 181 2HB PHE 28 2HB PHE 28 -4.070 -10.165 8.184 182 HD1 PHE 28 HD1 PHE 28 -3.760 -8.351 9.864 183 HD2 PHE 28 HD2 PHE 28 -1.736 -12.060 10.244 184 HE1 PHE 28 HE1 PHE 28 -2.181 -7.319 11.428 185 HE2 PHE 28 HE2 PHE 28 -0.157 -11.034 11.827 186 HZ PHE 28 HZ PHE 28 -0.381 -8.659 12.418 187 H SER 29 H SER 29 -4.550 -13.887 9.500 188 HA SER 29 HA SER 29 -4.453 -14.110 12.419 189 1HB SER 29 1HB SER 29 -4.624 -16.170 10.255 190 2HB SER 29 2HB SER 29 -4.609 -16.536 11.985 191 HG SER 29 HG SER 29 -6.493 -14.701 11.514 192 H VAL 30 H VAL 30 -2.468 -14.156 13.279 193 HA VAL 30 HA VAL 30 -0.244 -14.838 11.510 194 HB VAL 30 HB VAL 30 -0.516 -12.610 13.003 195 1HG1 VAL 30 1HG1 VAL 30 1.002 -14.383 14.841 196 2HG1 VAL 30 2HG1 VAL 30 -0.609 -13.706 15.142 197 3HG1 VAL 30 3HG1 VAL 30 0.803 -12.638 15.022 198 1HG2 VAL 30 1HG2 VAL 30 1.912 -12.286 12.913 199 2HG2 VAL 30 2HG2 VAL 30 1.248 -12.932 11.413 200 3HG2 VAL 30 3HG2 VAL 30 2.102 -13.994 12.529 201 H GLN 31 H GLN 31 1.030 -16.573 11.956 202 HA GLN 31 HA GLN 31 0.496 -17.941 14.470 203 1HB GLN 31 1HB GLN 31 1.064 -19.169 11.778 204 2HB GLN 31 2HB GLN 31 1.242 -20.054 13.284 205 1HG GLN 31 1HG GLN 31 -1.166 -19.464 13.752 206 2HG GLN 31 2HG GLN 31 -1.255 -18.935 12.070 207 1HE2 GLN 31 1HE2 GLN 31 -0.763 -21.602 14.186 208 2HE2 GLN 31 2HE2 GLN 31 -1.084 -22.857 13.035 209 H ASN 32 H ASN 32 2.022 -17.689 15.753 210 HA ASN 32 HA ASN 32 4.037 -17.578 16.718 211 1HB ASN 32 1HB ASN 32 4.861 -19.123 14.282 212 2HB ASN 32 2HB ASN 32 6.006 -18.736 15.576 213 1HD2 ASN 32 1HD2 ASN 32 5.159 -21.276 14.639 214 2HD2 ASN 32 2HD2 ASN 32 4.426 -22.105 15.988 215 H GLY 33 H GLY 33 3.228 -15.641 14.462 216 1HA GLY 33 1HA GLY 33 4.261 -13.417 14.501 217 2HA GLY 33 2HA GLY 33 5.819 -14.231 14.422 218 H ILE 34 H ILE 34 3.931 -16.021 12.504 219 HA ILE 34 HA ILE 34 4.601 -14.407 10.141 220 HB ILE 34 HB ILE 34 4.496 -17.458 10.301 221 1HG1 ILE 34 1HG1 ILE 34 6.906 -17.286 9.481 222 2HG1 ILE 34 2HG1 ILE 34 6.830 -15.572 9.832 223 1HG2 ILE 34 1HG2 ILE 34 5.007 -15.641 7.972 224 2HG2 ILE 34 2HG2 ILE 34 3.600 -16.687 8.196 225 3HG2 ILE 34 3HG2 ILE 34 5.202 -17.397 7.926 226 1HD1 ILE 34 1HD1 ILE 34 6.584 -17.813 11.825 227 2HD1 ILE 34 2HD1 ILE 34 6.498 -16.087 12.196 228 3HD1 ILE 34 3HD1 ILE 34 7.991 -16.778 11.555 229 H ILE 35 H ILE 35 3.040 -13.693 9.057 230 HA ILE 35 HA ILE 35 0.339 -14.077 9.647 231 HB ILE 35 HB ILE 35 1.611 -12.989 7.133 232 1HG1 ILE 35 1HG1 ILE 35 0.499 -11.460 9.479 233 2HG1 ILE 35 2HG1 ILE 35 2.156 -12.043 9.479 234 1HG2 ILE 35 1HG2 ILE 35 -0.594 -11.802 6.895 235 2HG2 ILE 35 2HG2 ILE 35 -1.224 -12.791 8.237 236 3HG2 ILE 35 3HG2 ILE 35 -0.728 -13.548 6.741 237 1HD1 ILE 35 1HD1 ILE 35 2.718 -10.706 7.657 238 2HD1 ILE 35 2HD1 ILE 35 1.801 -9.672 8.771 239 3HD1 ILE 35 3HD1 ILE 35 1.034 -10.350 7.316 240 H CYS 36 H CYS 36 -0.889 -15.730 9.236 241 HA CYS 36 HA CYS 36 0.002 -17.753 7.349 242 1HB CYS 36 1HB CYS 36 -0.314 -18.342 9.715 243 2HB CYS 36 2HB CYS 36 -2.007 -17.895 9.585 244 HG CYS 36 HG CYS 36 -1.278 -20.708 9.621 245 H SER 37 H SER 37 -2.779 -15.645 8.031 246 HA SER 37 HA SER 37 -3.760 -16.193 5.389 247 1HB SER 37 1HB SER 37 -6.078 -16.639 6.231 248 2HB SER 37 2HB SER 37 -4.929 -17.919 6.620 249 HG SER 37 HG SER 37 -5.394 -17.601 8.627 250 H LEU 38 H LEU 38 -5.223 -14.568 4.653 251 HA LEU 38 HA LEU 38 -5.408 -12.192 6.362 252 1HB LEU 38 1HB LEU 38 -3.493 -11.884 4.928 253 2HB LEU 38 2HB LEU 38 -4.427 -12.341 3.519 254 HG LEU 38 HG LEU 38 -5.832 -10.317 3.872 255 1HD1 LEU 38 1HD1 LEU 38 -3.736 -9.654 5.914 256 2HD1 LEU 38 2HD1 LEU 38 -5.437 -9.998 6.228 257 3HD1 LEU 38 3HD1 LEU 38 -4.980 -8.556 5.326 258 1HD2 LEU 38 1HD2 LEU 38 -4.180 -8.753 3.032 259 2HD2 LEU 38 2HD2 LEU 38 -4.007 -10.335 2.262 260 3HD2 LEU 38 3HD2 LEU 38 -2.893 -9.837 3.546 261 H MET 39 H MET 39 -7.316 -11.149 6.206 262 HA MET 39 HA MET 39 -9.332 -12.189 4.386 263 1HB MET 39 1HB MET 39 -9.505 -10.182 6.632 264 2HB MET 39 2HB MET 39 -10.860 -10.670 5.630 265 1HG MET 39 1HG MET 39 -10.573 -12.957 6.402 266 2HG MET 39 2HG MET 39 -9.259 -12.407 7.456 267 1HE MET 39 1HE MET 39 -12.240 -13.208 9.892 268 2HE MET 39 2HE MET 39 -10.569 -13.579 9.470 269 3HE MET 39 3HE MET 39 -11.877 -14.030 8.375 270 H ARG 40 H ARG 40 -9.468 -11.304 2.476 271 HA ARG 40 HA ARG 40 -8.511 -8.691 1.870 272 1HB ARG 40 1HB ARG 40 -8.738 -10.599 0.200 273 2HB ARG 40 2HB ARG 40 -10.478 -10.403 0.318 274 1HG ARG 40 1HG ARG 40 -8.676 -8.169 -0.620 275 2HG ARG 40 2HG ARG 40 -9.300 -9.384 -1.724 276 1HD ARG 40 1HD ARG 40 -10.983 -7.563 0.007 277 2HD ARG 40 2HD ARG 40 -10.642 -7.289 -1.700 278 HE ARG 40 HE ARG 40 -11.719 -9.648 -1.902 279 1HH1 ARG 40 1HH1 ARG 40 -12.851 -7.017 0.220 280 2HH1 ARG 40 2HH1 ARG 40 -14.466 -7.600 0.209 281 1HH2 ARG 40 1HH2 ARG 40 -13.937 -10.303 -1.936 282 2HH2 ARG 40 2HH2 ARG 40 -15.080 -9.430 -0.996 283 H GLY 41 H GLY 41 -9.565 -6.830 2.095 284 1HA GLY 41 1HA GLY 41 -11.523 -5.516 2.281 285 2HA GLY 41 2HA GLY 41 -12.407 -6.953 2.792 286 H GLY 42 H GLY 42 -10.016 -7.652 4.564 287 1HA GLY 42 1HA GLY 42 -10.990 -6.243 6.870 288 2HA GLY 42 2HA GLY 42 -9.715 -7.458 6.835 289 H ILE 43 H ILE 43 -9.582 -5.063 8.296 290 HA ILE 43 HA ILE 43 -8.246 -2.984 7.050 291 HB ILE 43 HB ILE 43 -7.071 -2.897 9.504 292 1HG1 ILE 43 1HG1 ILE 43 -9.826 -4.070 9.901 293 2HG1 ILE 43 2HG1 ILE 43 -8.302 -4.890 10.247 294 1HG2 ILE 43 1HG2 ILE 43 -9.707 -1.781 8.604 295 2HG2 ILE 43 2HG2 ILE 43 -8.087 -1.077 8.433 296 3HG2 ILE 43 3HG2 ILE 43 -8.803 -1.255 10.028 297 1HD1 ILE 43 1HD1 ILE 43 -9.311 -2.389 11.579 298 2HD1 ILE 43 2HD1 ILE 43 -7.779 -3.192 11.908 299 3HD1 ILE 43 3HD1 ILE 43 -9.293 -4.021 12.260 300 H ALA 44 H ALA 44 -6.918 -5.955 8.135 301 HA ALA 44 HA ALA 44 -4.227 -5.266 8.086 302 1HB ALA 44 1HB ALA 44 -3.837 -7.639 7.893 303 2HB ALA 44 2HB ALA 44 -5.515 -7.873 7.387 304 3HB ALA 44 3HB ALA 44 -5.166 -7.304 9.016 305 H GLU 45 H GLU 45 -6.319 -6.551 5.503 306 HA GLU 45 HA GLU 45 -4.296 -6.590 3.529 307 1HB GLU 45 1HB GLU 45 -6.269 -8.013 3.334 308 2HB GLU 45 2HB GLU 45 -7.319 -6.613 3.343 309 1HG GLU 45 1HG GLU 45 -5.335 -6.755 1.165 310 2HG GLU 45 2HG GLU 45 -6.655 -7.933 1.109 311 H ARG 46 H ARG 46 -6.572 -4.282 4.624 312 HA ARG 46 HA ARG 46 -6.108 -2.403 2.520 313 1HB ARG 46 1HB ARG 46 -7.258 -1.868 5.258 314 2HB ARG 46 2HB ARG 46 -7.383 -0.821 3.854 315 1HG ARG 46 1HG ARG 46 -8.689 -2.558 2.703 316 2HG ARG 46 2HG ARG 46 -8.602 -3.550 4.164 317 1HD ARG 46 1HD ARG 46 -9.673 -1.707 5.411 318 2HD ARG 46 2HD ARG 46 -9.853 -0.838 3.887 319 HE ARG 46 HE ARG 46 -11.040 -3.479 4.328 320 1HH1 ARG 46 1HH1 ARG 46 -11.378 -0.104 3.308 321 2HH1 ARG 46 2HH1 ARG 46 -13.027 -0.267 2.885 322 1HH2 ARG 46 1HH2 ARG 46 -13.282 -3.686 3.785 323 2HH2 ARG 46 2HH2 ARG 46 -14.158 -2.353 3.207 324 H GLY 47 H GLY 47 -4.471 -3.250 5.357 325 1HA GLY 47 1HA GLY 47 -3.029 -0.754 5.635 326 2HA GLY 47 2HA GLY 47 -2.786 -2.214 6.585 327 H GLY 48 H GLY 48 -2.565 -3.972 4.393 328 1HA GLY 48 1HA GLY 48 -1.081 -4.100 2.402 329 2HA GLY 48 2HA GLY 48 0.058 -3.117 3.311 330 H VAL 49 H VAL 49 -1.673 -5.445 5.084 331 HA VAL 49 HA VAL 49 0.651 -6.935 5.798 332 HB VAL 49 HB VAL 49 -2.290 -7.294 6.200 333 1HG1 VAL 49 1HG1 VAL 49 -1.127 -9.494 6.360 334 2HG1 VAL 49 2HG1 VAL 49 -1.803 -8.990 7.912 335 3HG1 VAL 49 3HG1 VAL 49 -0.081 -8.791 7.601 336 1HG2 VAL 49 1HG2 VAL 49 -1.421 -5.398 7.385 337 2HG2 VAL 49 2HG2 VAL 49 -0.199 -6.431 8.163 338 3HG2 VAL 49 3HG2 VAL 49 -1.904 -6.649 8.524 339 H ARG 50 H ARG 50 1.220 -8.985 5.035 340 HA ARG 50 HA ARG 50 -0.479 -10.294 3.032 341 1HB ARG 50 1HB ARG 50 2.415 -9.559 2.633 342 2HB ARG 50 2HB ARG 50 1.573 -10.778 1.692 343 1HG ARG 50 1HG ARG 50 0.862 -7.869 1.847 344 2HG ARG 50 2HG ARG 50 1.741 -8.652 0.524 345 1HD ARG 50 1HD ARG 50 -1.112 -9.185 1.376 346 2HD ARG 50 2HD ARG 50 -0.594 -8.324 -0.061 347 HE ARG 50 HE ARG 50 0.304 -11.084 0.224 348 1HH1 ARG 50 1HH1 ARG 50 -1.774 -8.760 -1.467 349 2HH1 ARG 50 2HH1 ARG 50 -2.344 -9.892 -2.613 350 1HH2 ARG 50 1HH2 ARG 50 -0.495 -12.644 -1.346 351 2HH2 ARG 50 2HH2 ARG 50 -1.623 -12.155 -2.518 352 H VAL 51 H VAL 51 -0.306 -12.294 2.853 353 HA VAL 51 HA VAL 51 0.422 -13.812 5.144 354 HB VAL 51 HB VAL 51 -0.513 -14.440 2.391 355 1HG1 VAL 51 1HG1 VAL 51 -0.284 -16.372 4.743 356 2HG1 VAL 51 2HG1 VAL 51 0.702 -16.432 3.282 357 3HG1 VAL 51 3HG1 VAL 51 -1.030 -16.768 3.191 358 1HG2 VAL 51 1HG2 VAL 51 -2.113 -13.307 3.716 359 2HG2 VAL 51 2HG2 VAL 51 -1.901 -14.475 5.025 360 3HG2 VAL 51 3HG2 VAL 51 -2.637 -14.983 3.499 361 H GLY 52 H GLY 52 2.053 -15.356 5.330 362 1HA GLY 52 1HA GLY 52 4.057 -16.415 4.799 363 2HA GLY 52 2HA GLY 52 3.976 -15.699 3.191 364 H HIS 53 H HIS 53 3.588 -13.877 6.035 365 HA HIS 53 HA HIS 53 6.222 -12.690 5.618 366 1HB HIS 53 1HB HIS 53 3.583 -11.352 5.924 367 2HB HIS 53 2HB HIS 53 5.017 -10.594 6.597 368 HD1 HIS 53 HD1 HIS 53 5.245 -8.611 4.977 369 HD2 HIS 53 HD2 HIS 53 4.839 -12.275 3.017 370 HE1 HIS 53 HE1 HIS 53 5.602 -8.132 2.568 371 HE2 HIS 53 HE2 HIS 53 5.467 -10.328 1.406 372 H ARG 54 H ARG 54 7.439 -12.604 7.281 373 HA ARG 54 HA ARG 54 6.408 -13.320 9.917 374 1HB ARG 54 1HB ARG 54 8.563 -14.323 9.219 375 2HB ARG 54 2HB ARG 54 9.260 -12.707 9.030 376 1HG ARG 54 1HG ARG 54 8.585 -12.395 11.485 377 2HG ARG 54 2HG ARG 54 8.467 -14.154 11.534 378 1HD ARG 54 1HD ARG 54 10.891 -12.544 10.761 379 2HD ARG 54 2HD ARG 54 10.630 -13.278 12.337 380 HE ARG 54 HE ARG 54 10.922 -14.838 9.851 381 1HH1 ARG 54 1HH1 ARG 54 11.640 -14.406 13.292 382 2HH1 ARG 54 2HH1 ARG 54 12.938 -15.499 13.329 383 1HH2 ARG 54 1HH2 ARG 54 12.804 -16.363 9.879 384 2HH2 ARG 54 2HH2 ARG 54 13.594 -16.629 11.356 385 H ILE 55 H ILE 55 5.795 -11.743 11.232 386 HA ILE 55 HA ILE 55 6.494 -9.019 10.642 387 HB ILE 55 HB ILE 55 5.054 -10.138 13.050 388 1HG1 ILE 55 1HG1 ILE 55 3.996 -9.075 10.423 389 2HG1 ILE 55 2HG1 ILE 55 3.813 -10.700 11.081 390 1HG2 ILE 55 1HG2 ILE 55 5.224 -7.322 11.953 391 2HG2 ILE 55 2HG2 ILE 55 5.984 -7.901 13.432 392 3HG2 ILE 55 3HG2 ILE 55 4.225 -7.820 13.313 393 1HD1 ILE 55 1HD1 ILE 55 2.789 -8.211 12.279 394 2HD1 ILE 55 2HD1 ILE 55 2.490 -9.871 12.854 395 3HD1 ILE 55 3HD1 ILE 55 1.815 -9.318 11.291 396 H ILE 56 H ILE 56 8.194 -8.046 11.365 397 HA ILE 56 HA ILE 56 9.631 -9.266 13.563 398 HB ILE 56 HB ILE 56 11.662 -8.225 12.800 399 1HG1 ILE 56 1HG1 ILE 56 10.059 -7.197 10.450 400 2HG1 ILE 56 2HG1 ILE 56 10.599 -6.223 11.824 401 1HG2 ILE 56 1HG2 ILE 56 10.204 -9.680 10.598 402 2HG2 ILE 56 2HG2 ILE 56 11.064 -10.425 11.941 403 3HG2 ILE 56 3HG2 ILE 56 11.958 -9.508 10.726 404 1HD1 ILE 56 1HD1 ILE 56 12.320 -7.725 9.937 405 2HD1 ILE 56 2HD1 ILE 56 12.840 -6.769 11.330 406 3HD1 ILE 56 3HD1 ILE 56 12.061 -5.960 9.941 407 H GLU 57 H GLU 57 7.698 -6.640 12.925 408 HA GLU 57 HA GLU 57 8.450 -5.420 15.443 409 1HB GLU 57 1HB GLU 57 10.039 -4.325 13.916 410 2HB GLU 57 2HB GLU 57 8.706 -3.878 12.859 411 1HG GLU 57 1HG GLU 57 7.766 -2.549 14.740 412 2HG GLU 57 2HG GLU 57 9.234 -2.891 15.643 413 H ILE 58 H ILE 58 6.862 -4.229 16.295 414 HA ILE 58 HA ILE 58 4.470 -3.723 14.705 415 HB ILE 58 HB ILE 58 4.552 -5.040 17.420 416 1HG1 ILE 58 1HG1 ILE 58 3.303 -6.117 14.899 417 2HG1 ILE 58 2HG1 ILE 58 4.960 -6.481 15.379 418 1HG2 ILE 58 1HG2 ILE 58 2.207 -4.112 15.744 419 2HG2 ILE 58 2HG2 ILE 58 2.721 -3.405 17.269 420 3HG2 ILE 58 3HG2 ILE 58 2.054 -5.047 17.237 421 1HD1 ILE 58 1HD1 ILE 58 2.517 -7.080 17.017 422 2HD1 ILE 58 2HD1 ILE 58 4.200 -7.487 17.390 423 3HD1 ILE 58 3HD1 ILE 58 3.405 -8.234 16.006 424 H ASN 59 H ASN 59 4.118 -1.656 14.904 425 HA ASN 59 HA ASN 59 3.821 0.439 15.658 426 1HB ASN 59 1HB ASN 59 2.445 -1.036 17.352 427 2HB ASN 59 2HB ASN 59 3.701 -0.572 18.484 428 1HD2 ASN 59 1HD2 ASN 59 0.802 0.039 18.266 429 2HD2 ASN 59 2HD2 ASN 59 0.678 1.743 18.397 430 H GLY 60 H GLY 60 6.557 -0.700 15.576 431 1HA GLY 60 1HA GLY 60 8.501 0.691 15.707 432 2HA GLY 60 2HA GLY 60 7.791 1.491 17.095 433 H GLN 61 H GLN 61 7.252 -1.660 17.773 434 HA GLN 61 HA GLN 61 9.901 -1.942 18.996 435 1HB GLN 61 1HB GLN 61 8.897 -3.210 20.818 436 2HB GLN 61 2HB GLN 61 8.156 -1.630 20.718 437 1HG GLN 61 1HG GLN 61 6.214 -2.622 19.606 438 2HG GLN 61 2HG GLN 61 6.971 -4.211 19.730 439 1HE2 GLN 61 1HE2 GLN 61 7.204 -5.144 21.778 440 2HE2 GLN 61 2HE2 GLN 61 6.275 -4.613 23.129 441 H SER 62 H SER 62 11.110 -3.567 18.545 442 HA SER 62 HA SER 62 10.256 -5.258 16.443 443 1HB SER 62 1HB SER 62 12.619 -4.427 16.720 444 2HB SER 62 2HB SER 62 12.756 -5.445 18.153 445 HG SER 62 HG SER 62 12.073 -6.425 15.592 446 H VAL 63 H VAL 63 8.945 -6.942 16.780 447 HA VAL 63 HA VAL 63 8.823 -8.109 19.427 448 HB VAL 63 HB VAL 63 6.634 -8.880 18.695 449 1HG1 VAL 63 1HG1 VAL 63 7.120 -5.927 18.163 450 2HG1 VAL 63 2HG1 VAL 63 6.850 -6.660 19.723 451 3HG1 VAL 63 3HG1 VAL 63 5.548 -6.639 18.538 452 1HG2 VAL 63 1HG2 VAL 63 7.223 -9.181 16.306 453 2HG2 VAL 63 2HG2 VAL 63 7.223 -7.428 16.095 454 3HG2 VAL 63 3HG2 VAL 63 5.734 -8.272 16.517 455 H VAL 64 H VAL 64 10.593 -8.536 16.945 456 HA VAL 64 HA VAL 64 9.981 -11.176 16.106 457 HB VAL 64 HB VAL 64 11.280 -9.289 14.940 458 1HG1 VAL 64 1HG1 VAL 64 13.556 -10.539 16.379 459 2HG1 VAL 64 2HG1 VAL 64 12.958 -8.885 16.513 460 3HG1 VAL 64 3HG1 VAL 64 13.691 -9.438 14.999 461 1HG2 VAL 64 1HG2 VAL 64 10.780 -11.261 13.866 462 2HG2 VAL 64 2HG2 VAL 64 12.039 -12.180 14.717 463 3HG2 VAL 64 3HG2 VAL 64 12.476 -10.920 13.532 464 H ALA 65 H ALA 65 11.507 -9.899 18.832 465 HA ALA 65 HA ALA 65 12.660 -12.500 19.539 466 1HB ALA 65 1HB ALA 65 14.035 -11.235 21.131 467 2HB ALA 65 2HB ALA 65 13.219 -9.749 20.617 468 3HB ALA 65 3HB ALA 65 14.223 -10.645 19.472 469 H THR 66 H THR 66 9.826 -11.085 19.753 470 HA THR 66 HA THR 66 9.329 -11.270 22.555 471 HB THR 66 HB THR 66 7.830 -10.311 20.095 472 HG1 THR 66 HG1 THR 66 9.665 -9.164 21.493 473 1HG2 THR 66 1HG2 THR 66 6.251 -11.165 21.734 474 2HG2 THR 66 2HG2 THR 66 6.153 -9.408 21.574 475 3HG2 THR 66 3HG2 THR 66 6.954 -10.129 22.984 476 HA PRO 67 HA PRO 67 7.828 -15.508 22.000 477 1HB PRO 67 1HB PRO 67 5.738 -14.701 23.951 478 2HB PRO 67 2HB PRO 67 6.865 -16.055 24.029 479 1HG PRO 67 1HG PRO 67 7.194 -13.898 25.566 480 2HG PRO 67 2HG PRO 67 8.577 -14.757 24.875 481 1HD PRO 67 1HD PRO 67 7.356 -12.169 24.065 482 2HD PRO 67 2HD PRO 67 9.056 -12.681 24.038 483 H HIS 68 H HIS 68 6.240 -16.433 20.774 484 HA HIS 68 HA HIS 68 4.729 -14.900 19.075 485 1HB HIS 68 1HB HIS 68 3.462 -16.873 18.412 486 2HB HIS 68 2HB HIS 68 5.199 -17.181 18.464 487 HD1 HIS 68 HD1 HIS 68 1.940 -18.015 20.301 488 HD2 HIS 68 HD2 HIS 68 5.897 -19.315 20.074 489 HE1 HIS 68 HE1 HIS 68 2.008 -20.171 21.511 490 HE2 HIS 68 HE2 HIS 68 4.201 -21.094 20.823 491 H GLU 69 H GLU 69 3.597 -16.264 22.129 492 HA GLU 69 HA GLU 69 0.877 -15.585 21.660 493 1HB GLU 69 1HB GLU 69 1.683 -17.208 23.377 494 2HB GLU 69 2HB GLU 69 2.265 -15.815 24.300 495 1HG GLU 69 1HG GLU 69 -0.034 -14.931 24.360 496 2HG GLU 69 2HG GLU 69 -0.591 -16.399 23.564 497 H LYS 70 H LYS 70 3.646 -13.900 23.016 498 HA LYS 70 HA LYS 70 2.176 -11.767 24.071 499 1HB LYS 70 1HB LYS 70 4.760 -12.582 24.259 500 2HB LYS 70 2HB LYS 70 4.916 -11.227 23.166 501 1HG LYS 70 1HG LYS 70 3.539 -9.882 24.726 502 2HG LYS 70 2HG LYS 70 3.642 -11.227 25.858 503 1HD LYS 70 1HD LYS 70 6.140 -11.025 25.614 504 2HD LYS 70 2HD LYS 70 5.812 -9.476 24.817 505 1HE LYS 70 1HE LYS 70 5.004 -10.325 27.555 506 2HE LYS 70 2HE LYS 70 6.207 -9.080 27.125 507 1HZ LYS 70 1HZ LYS 70 3.290 -8.939 26.559 508 2HZ LYS 70 2HZ LYS 70 4.430 -7.728 26.222 509 3HZ LYS 70 3HZ LYS 70 4.056 -8.125 27.808 510 H ILE 71 H ILE 71 3.917 -12.310 21.049 511 HA ILE 71 HA ILE 71 3.532 -9.872 19.791 512 HB ILE 71 HB ILE 71 3.422 -12.624 18.496 513 1HG1 ILE 71 1HG1 ILE 71 5.745 -10.733 18.919 514 2HG1 ILE 71 2HG1 ILE 71 5.474 -12.242 19.775 515 1HG2 ILE 71 1HG2 ILE 71 4.007 -9.935 17.260 516 2HG2 ILE 71 2HG2 ILE 71 2.537 -10.889 17.008 517 3HG2 ILE 71 3HG2 ILE 71 4.094 -11.487 16.426 518 1HD1 ILE 71 1HD1 ILE 71 5.773 -13.483 17.690 519 2HD1 ILE 71 2HD1 ILE 71 7.171 -12.462 18.060 520 3HD1 ILE 71 3HD1 ILE 71 6.018 -11.957 16.830 521 H VAL 72 H VAL 72 1.375 -12.674 19.936 522 HA VAL 72 HA VAL 72 -0.684 -11.512 18.368 523 HB VAL 72 HB VAL 72 -0.821 -13.796 20.371 524 1HG1 VAL 72 1HG1 VAL 72 -2.810 -13.045 18.223 525 2HG1 VAL 72 2HG1 VAL 72 -3.046 -12.861 19.965 526 3HG1 VAL 72 3HG1 VAL 72 -2.879 -14.471 19.262 527 1HG2 VAL 72 1HG2 VAL 72 0.706 -14.230 18.532 528 2HG2 VAL 72 2HG2 VAL 72 -0.556 -13.815 17.376 529 3HG2 VAL 72 3HG2 VAL 72 -0.736 -15.241 18.403 530 H HIS 73 H HIS 73 0.152 -11.377 21.739 531 HA HIS 73 HA HIS 73 -2.416 -10.542 22.732 532 1HB HIS 73 1HB HIS 73 -0.464 -11.686 24.012 533 2HB HIS 73 2HB HIS 73 0.253 -10.089 24.083 534 HD1 HIS 73 HD1 HIS 73 -1.085 -12.117 26.342 535 HD2 HIS 73 HD2 HIS 73 -2.348 -8.361 25.096 536 HE1 HIS 73 HE1 HIS 73 -2.495 -11.221 28.211 537 HE2 HIS 73 HE2 HIS 73 -3.406 -9.049 27.350 538 H ILE 74 H ILE 74 0.597 -9.049 21.784 539 HA ILE 74 HA ILE 74 -0.024 -6.410 22.397 540 HB ILE 74 HB ILE 74 1.984 -7.704 20.549 541 1HG1 ILE 74 1HG1 ILE 74 2.515 -6.239 23.107 542 2HG1 ILE 74 2HG1 ILE 74 1.918 -7.890 23.145 543 1HG2 ILE 74 1HG2 ILE 74 1.508 -5.451 19.733 544 2HG2 ILE 74 2HG2 ILE 74 3.118 -5.526 20.472 545 3HG2 ILE 74 3HG2 ILE 74 1.766 -4.800 21.352 546 1HD1 ILE 74 1HD1 ILE 74 4.421 -6.967 21.779 547 2HD1 ILE 74 2HD1 ILE 74 3.745 -8.614 21.853 548 3HD1 ILE 74 3HD1 ILE 74 4.306 -7.834 23.337 549 H LEU 75 H LEU 75 -0.047 -8.236 19.312 550 HA LEU 75 HA LEU 75 -1.230 -6.250 17.719 551 1HB LEU 75 1HB LEU 75 -1.313 -9.243 17.499 552 2HB LEU 75 2HB LEU 75 -2.086 -8.203 16.322 553 HG LEU 75 HG LEU 75 0.851 -8.230 16.965 554 1HD1 LEU 75 1HD1 LEU 75 -0.668 -9.287 14.582 555 2HD1 LEU 75 2HD1 LEU 75 0.139 -10.256 15.818 556 3HD1 LEU 75 3HD1 LEU 75 1.088 -9.233 14.741 557 1HD2 LEU 75 1HD2 LEU 75 0.080 -6.005 16.250 558 2HD2 LEU 75 2HD2 LEU 75 -0.731 -6.724 14.865 559 3HD2 LEU 75 3HD2 LEU 75 1.028 -6.767 14.975 560 H SER 76 H SER 76 -2.653 -8.520 19.882 561 HA SER 76 HA SER 76 -5.309 -8.084 19.091 562 1HB SER 76 1HB SER 76 -4.627 -10.078 20.354 563 2HB SER 76 2HB SER 76 -4.255 -9.066 21.747 564 HG SER 76 HG SER 76 -6.713 -8.489 21.032 565 H ASN 77 H ASN 77 -3.174 -6.135 21.081 566 HA ASN 77 HA ASN 77 -5.554 -4.652 21.975 567 1HB ASN 77 1HB ASN 77 -3.125 -5.306 23.624 568 2HB ASN 77 2HB ASN 77 -4.312 -4.090 24.088 569 1HD2 ASN 77 1HD2 ASN 77 -3.705 -7.454 23.630 570 2HD2 ASN 77 2HD2 ASN 77 -5.121 -8.040 24.435 571 H ALA 78 H ALA 78 -3.107 -4.198 19.940 572 HA ALA 78 HA ALA 78 -2.576 -1.436 20.774 573 1HB ALA 78 1HB ALA 78 -0.885 -1.433 18.931 574 2HB ALA 78 2HB ALA 78 -1.363 -3.066 18.489 575 3HB ALA 78 3HB ALA 78 -0.617 -2.766 20.048 576 H VAL 79 H VAL 79 -3.853 0.205 19.922 577 HA VAL 79 HA VAL 79 -5.078 -0.387 17.302 578 HB VAL 79 HB VAL 79 -7.089 0.500 17.849 579 1HG1 VAL 79 1HG1 VAL 79 -6.898 -1.179 19.373 580 2HG1 VAL 79 2HG1 VAL 79 -7.885 0.114 20.040 581 3HG1 VAL 79 3HG1 VAL 79 -6.218 -0.107 20.597 582 1HG2 VAL 79 1HG2 VAL 79 -6.373 2.769 18.135 583 2HG2 VAL 79 2HG2 VAL 79 -5.941 2.466 19.837 584 3HG2 VAL 79 3HG2 VAL 79 -7.630 2.322 19.272 585 H GLY 80 H GLY 80 -5.628 1.765 16.049 586 1HA GLY 80 1HA GLY 80 -5.036 3.965 15.546 587 2HA GLY 80 2HA GLY 80 -3.583 3.783 16.526 588 H GLU 81 H GLU 81 -2.527 4.665 14.694 589 HA GLU 81 HA GLU 81 -2.192 3.074 12.313 590 1HB GLU 81 1HB GLU 81 -0.813 5.526 13.417 591 2HB GLU 81 2HB GLU 81 -0.344 4.790 11.898 592 1HG GLU 81 1HG GLU 81 -2.449 5.270 10.935 593 2HG GLU 81 2HG GLU 81 -3.104 5.811 12.485 594 H ILE 82 H ILE 82 -0.988 1.199 12.399 595 HA ILE 82 HA ILE 82 1.077 1.107 14.504 596 HB ILE 82 HB ILE 82 -0.619 -1.086 13.323 597 1HG1 ILE 82 1HG1 ILE 82 -0.733 -0.015 16.137 598 2HG1 ILE 82 2HG1 ILE 82 -1.786 0.550 14.849 599 1HG2 ILE 82 1HG2 ILE 82 1.392 -1.194 15.569 600 2HG2 ILE 82 2HG2 ILE 82 1.561 -1.947 13.981 601 3HG2 ILE 82 3HG2 ILE 82 0.333 -2.524 15.105 602 1HD1 ILE 82 1HD1 ILE 82 -1.624 -2.287 15.856 603 2HD1 ILE 82 2HD1 ILE 82 -2.720 -1.677 14.607 604 3HD1 ILE 82 3HD1 ILE 82 -2.880 -1.116 16.259 605 H HIS 83 H HIS 83 3.010 1.150 13.631 606 HA HIS 83 HA HIS 83 3.432 0.340 10.839 607 1HB HIS 83 1HB HIS 83 5.434 1.468 12.842 608 2HB HIS 83 2HB HIS 83 5.775 1.138 11.158 609 HD1 HIS 83 HD1 HIS 83 5.423 3.134 9.535 610 HD2 HIS 83 HD2 HIS 83 3.638 3.687 13.273 611 HE1 HIS 83 HE1 HIS 83 4.638 5.468 9.569 612 HE2 HIS 83 HE2 HIS 83 3.857 5.858 11.927 613 H MET 84 H MET 84 3.694 -1.737 10.557 614 HA MET 84 HA MET 84 5.272 -3.245 12.532 615 1HB MET 84 1HB MET 84 3.486 -4.269 10.357 616 2HB MET 84 2HB MET 84 4.309 -5.243 11.560 617 1HG MET 84 1HG MET 84 2.914 -4.180 13.286 618 2HG MET 84 2HG MET 84 2.026 -3.333 12.004 619 1HE MET 84 1HE MET 84 2.619 -6.023 9.978 620 2HE MET 84 2HE MET 84 1.285 -4.906 9.789 621 3HE MET 84 3HE MET 84 0.976 -6.663 9.955 622 H LYS 85 H LYS 85 6.764 -4.826 11.500 623 HA LYS 85 HA LYS 85 7.487 -4.000 8.777 624 1HB LYS 85 1HB LYS 85 9.375 -4.986 10.932 625 2HB LYS 85 2HB LYS 85 9.820 -4.554 9.288 626 1HG LYS 85 1HG LYS 85 8.603 -2.629 11.137 627 2HG LYS 85 2HG LYS 85 10.351 -2.942 11.151 628 1HD LYS 85 1HD LYS 85 10.196 -2.412 8.643 629 2HD LYS 85 2HD LYS 85 8.604 -1.746 9.023 630 1HE LYS 85 1HE LYS 85 9.713 -0.408 10.822 631 2HE LYS 85 2HE LYS 85 11.218 -1.078 10.173 632 1HZ LYS 85 1HZ LYS 85 9.429 0.458 8.379 633 2HZ LYS 85 2HZ LYS 85 11.114 0.215 8.274 634 3HZ LYS 85 3HZ LYS 85 10.482 1.237 9.435 635 H THR 86 H THR 86 7.353 -5.604 7.472 636 HA THR 86 HA THR 86 7.330 -8.280 8.647 637 HB THR 86 HB THR 86 5.605 -8.964 7.088 638 HG1 THR 86 HG1 THR 86 5.893 -6.316 6.129 639 1HG2 THR 86 1HG2 THR 86 4.716 -6.425 8.451 640 2HG2 THR 86 2HG2 THR 86 5.029 -7.924 9.284 641 3HG2 THR 86 3HG2 THR 86 3.710 -7.839 8.094 642 H MET 87 H MET 87 8.344 -9.869 7.543 643 HA MET 87 HA MET 87 9.865 -9.072 5.134 644 1HB MET 87 1HB MET 87 10.576 -11.155 7.228 645 2HB MET 87 2HB MET 87 11.550 -10.702 5.847 646 1HG MET 87 1HG MET 87 11.769 -8.435 6.832 647 2HG MET 87 2HG MET 87 10.911 -9.035 8.256 648 1HE MET 87 1HE MET 87 14.106 -9.237 6.060 649 2HE MET 87 2HE MET 87 13.592 -10.927 5.997 650 3HE MET 87 3HE MET 87 15.057 -10.484 6.856 651 HA PRO 88 HA PRO 88 7.837 -12.608 3.198 652 1HB PRO 88 1HB PRO 88 10.262 -13.789 2.093 653 2HB PRO 88 2HB PRO 88 8.986 -12.921 1.248 654 1HG PRO 88 1HG PRO 88 11.487 -11.913 1.556 655 2HG PRO 88 2HG PRO 88 10.045 -10.894 1.461 656 1HD PRO 88 1HD PRO 88 11.598 -11.757 3.871 657 2HD PRO 88 2HD PRO 88 10.909 -10.164 3.485 658 H ALA 89 H ALA 89 8.994 -13.003 5.819 659 HA ALA 89 HA ALA 89 9.358 -14.497 7.430 660 1HB ALA 89 1HB ALA 89 8.118 -16.563 7.386 661 2HB ALA 89 2HB ALA 89 7.865 -16.408 5.634 662 3HB ALA 89 3HB ALA 89 7.158 -15.228 6.751 663 H ALA 90 H ALA 90 11.455 -14.035 6.354 664 HA ALA 90 HA ALA 90 12.836 -16.505 5.732 665 1HB ALA 90 1HB ALA 90 13.379 -14.540 4.346 666 2HB ALA 90 2HB ALA 90 14.771 -14.996 5.328 667 3HB ALA 90 3HB ALA 90 13.777 -13.619 5.795 Start of MODEL 16 1 H GLU 7 1H GLU 7 12.347 1.213 7.030 2 HA GLU 7 HA GLU 7 15.171 1.466 7.750 3 1HB GLU 7 1HB GLU 7 12.894 -0.044 9.072 4 2HB GLU 7 2HB GLU 7 14.586 -0.341 9.421 5 1HG GLU 7 1HG GLU 7 13.610 1.018 11.163 6 2HG GLU 7 2HG GLU 7 14.795 1.965 10.274 7 H THR 8 H THR 8 16.425 0.011 6.836 8 HA THR 8 HA THR 8 15.121 -2.022 5.208 9 HB THR 8 HB THR 8 17.773 -0.623 4.834 10 HG1 THR 8 HG1 THR 8 15.197 -0.345 3.738 11 1HG2 THR 8 1HG2 THR 8 17.927 -2.965 4.074 12 2HG2 THR 8 2HG2 THR 8 17.929 -1.862 2.698 13 3HG2 THR 8 3HG2 THR 8 16.465 -2.752 3.112 14 H MET 9 H MET 9 15.140 -3.852 6.269 15 HA MET 9 HA MET 9 17.573 -4.667 7.696 16 1HB MET 9 1HB MET 9 14.790 -5.877 7.743 17 2HB MET 9 2HB MET 9 16.178 -6.592 8.530 18 1HG MET 9 1HG MET 9 14.878 -5.480 10.178 19 2HG MET 9 2HG MET 9 16.353 -4.558 9.942 20 1HE MET 9 1HE MET 9 13.635 -1.893 10.875 21 2HE MET 9 2HE MET 9 15.184 -2.611 11.316 22 3HE MET 9 3HE MET 9 13.702 -3.562 11.443 23 H GLY 10 H GLY 10 15.826 -5.102 4.843 24 1HA GLY 10 1HA GLY 10 17.238 -6.260 3.120 25 2HA GLY 10 2HA GLY 10 17.227 -7.620 4.255 26 H ASN 11 H ASN 11 15.184 -5.457 2.434 27 HA ASN 11 HA ASN 11 13.210 -5.580 1.521 28 1HB ASN 11 1HB ASN 11 13.686 -8.570 1.513 29 2HB ASN 11 2HB ASN 11 12.236 -7.842 0.839 30 1HD2 ASN 11 1HD2 ASN 11 12.658 -8.482 -1.209 31 2HD2 ASN 11 2HD2 ASN 11 13.926 -7.832 -2.189 32 H VAL 12 H VAL 12 12.143 -4.603 2.931 33 HA VAL 12 HA VAL 12 10.682 -6.115 4.903 34 HB VAL 12 HB VAL 12 12.093 -3.440 5.293 35 1HG1 VAL 12 1HG1 VAL 12 10.153 -4.842 7.142 36 2HG1 VAL 12 2HG1 VAL 12 9.839 -3.341 6.265 37 3HG1 VAL 12 3HG1 VAL 12 11.076 -3.387 7.526 38 1HG2 VAL 12 1HG2 VAL 12 13.455 -5.452 5.643 39 2HG2 VAL 12 2HG2 VAL 12 12.242 -5.997 6.817 40 3HG2 VAL 12 3HG2 VAL 12 13.177 -4.540 7.136 41 H THR 13 H THR 13 8.742 -5.691 4.815 42 HA THR 13 HA THR 13 7.751 -3.518 3.134 43 HB THR 13 HB THR 13 6.787 -6.246 3.842 44 HG1 THR 13 HG1 THR 13 8.124 -5.262 1.658 45 1HG2 THR 13 1HG2 THR 13 5.387 -4.150 2.178 46 2HG2 THR 13 2HG2 THR 13 4.928 -4.686 3.795 47 3HG2 THR 13 3HG2 THR 13 4.810 -5.811 2.429 48 H THR 14 H THR 14 7.366 -2.003 4.490 49 HA THR 14 HA THR 14 6.585 -2.521 7.168 50 HB THR 14 HB THR 14 6.592 0.021 5.629 51 HG1 THR 14 HG1 THR 14 8.636 -0.860 5.589 52 1HG2 THR 14 1HG2 THR 14 6.634 -0.604 8.589 53 2HG2 THR 14 2HG2 THR 14 5.370 0.239 7.701 54 3HG2 THR 14 3HG2 THR 14 6.945 1.009 7.941 55 H VAL 15 H VAL 15 4.650 -2.398 7.957 56 HA VAL 15 HA VAL 15 2.425 -1.987 6.112 57 HB VAL 15 HB VAL 15 2.768 -3.832 8.440 58 1HG1 VAL 15 1HG1 VAL 15 0.250 -3.207 6.877 59 2HG1 VAL 15 2HG1 VAL 15 0.567 -2.817 8.576 60 3HG1 VAL 15 3HG1 VAL 15 0.447 -4.511 8.060 61 1HG2 VAL 15 1HG2 VAL 15 2.116 -5.522 6.732 62 2HG2 VAL 15 2HG2 VAL 15 3.646 -4.651 6.396 63 3HG2 VAL 15 3HG2 VAL 15 2.156 -4.191 5.560 64 H LEU 16 H LEU 16 1.036 -0.484 6.671 65 HA LEU 16 HA LEU 16 1.131 0.376 9.435 66 1HB LEU 16 1HB LEU 16 1.878 2.127 7.808 67 2HB LEU 16 2HB LEU 16 0.265 2.057 7.107 68 HG LEU 16 HG LEU 16 -0.560 2.442 9.480 69 1HD1 LEU 16 1HD1 LEU 16 2.263 3.373 9.753 70 2HD1 LEU 16 2HD1 LEU 16 1.437 2.126 10.693 71 3HD1 LEU 16 3HD1 LEU 16 0.952 3.818 10.833 72 1HD2 LEU 16 1HD2 LEU 16 -0.794 3.940 7.676 73 2HD2 LEU 16 2HD2 LEU 16 0.820 4.630 8.011 74 3HD2 LEU 16 3HD2 LEU 16 -0.505 4.753 9.220 75 H ILE 17 H ILE 17 -0.461 -0.560 10.293 76 HA ILE 17 HA ILE 17 -2.925 -0.989 8.754 77 HB ILE 17 HB ILE 17 -1.407 -2.789 9.739 78 1HG1 ILE 17 1HG1 ILE 17 -3.673 -3.271 8.873 79 2HG1 ILE 17 2HG1 ILE 17 -3.163 -4.384 10.134 80 1HG2 ILE 17 1HG2 ILE 17 -0.856 -2.240 11.780 81 2HG2 ILE 17 2HG2 ILE 17 -2.020 -3.557 12.042 82 3HG2 ILE 17 3HG2 ILE 17 -2.516 -1.874 12.282 83 1HD1 ILE 17 1HD1 ILE 17 -5.044 -2.077 10.418 84 2HD1 ILE 17 2HD1 ILE 17 -4.524 -3.166 11.724 85 3HD1 ILE 17 3HD1 ILE 17 -5.451 -3.799 10.355 86 H ARG 18 H ARG 18 -4.638 0.080 9.257 87 HA ARG 18 HA ARG 18 -4.496 1.888 11.537 88 1HB ARG 18 1HB ARG 18 -6.043 1.902 8.989 89 2HB ARG 18 2HB ARG 18 -6.700 2.714 10.400 90 1HG ARG 18 1HG ARG 18 -5.522 4.271 8.974 91 2HG ARG 18 2HG ARG 18 -4.756 4.123 10.543 92 1HD ARG 18 1HD ARG 18 -3.090 4.244 8.774 93 2HD ARG 18 2HD ARG 18 -3.030 2.684 9.575 94 HE ARG 18 HE ARG 18 -3.324 1.743 7.585 95 1HH1 ARG 18 1HH1 ARG 18 -5.310 4.699 7.313 96 2HH1 ARG 18 2HH1 ARG 18 -5.220 4.773 5.642 97 1HH2 ARG 18 1HH2 ARG 18 -3.212 1.893 5.193 98 2HH2 ARG 18 2HH2 ARG 18 -4.001 3.175 4.420 99 H ARG 19 H ARG 19 -5.491 1.453 13.282 100 HA ARG 19 HA ARG 19 -7.859 -0.240 13.128 101 1HB ARG 19 1HB ARG 19 -6.006 -1.513 13.953 102 2HB ARG 19 2HB ARG 19 -5.661 -0.285 15.164 103 1HG ARG 19 1HG ARG 19 -7.649 -0.732 16.306 104 2HG ARG 19 2HG ARG 19 -8.237 -1.824 15.037 105 1HD ARG 19 1HD ARG 19 -6.186 -3.216 15.514 106 2HD ARG 19 2HD ARG 19 -5.943 -2.208 16.941 107 HE ARG 19 HE ARG 19 -8.550 -3.248 16.646 108 1HH1 ARG 19 1HH1 ARG 19 -5.408 -3.726 18.118 109 2HH1 ARG 19 2HH1 ARG 19 -5.952 -4.953 19.172 110 1HH2 ARG 19 1HH2 ARG 19 -9.288 -4.952 18.044 111 2HH2 ARG 19 2HH2 ARG 19 -8.214 -5.709 19.114 112 HA PRO 20 HA PRO 20 -9.474 3.650 14.972 113 1HB PRO 20 1HB PRO 20 -11.814 1.804 15.134 114 2HB PRO 20 2HB PRO 20 -11.752 3.497 14.619 115 1HG PRO 20 1HG PRO 20 -11.931 1.594 12.800 116 2HG PRO 20 2HG PRO 20 -10.830 2.958 12.539 117 1HD PRO 20 1HD PRO 20 -10.218 0.151 13.349 118 2HD PRO 20 2HD PRO 20 -9.313 1.241 12.276 119 H ASP 21 H ASP 21 -10.322 0.449 16.284 120 HA ASP 21 HA ASP 21 -9.315 0.968 18.863 121 1HB ASP 21 1HB ASP 21 -11.369 1.013 20.161 122 2HB ASP 21 2HB ASP 21 -11.416 2.335 19.007 123 H LEU 22 H LEU 22 -10.726 -0.817 20.315 124 HA LEU 22 HA LEU 22 -9.568 -3.203 19.324 125 1HB LEU 22 1HB LEU 22 -11.258 -2.757 21.744 126 2HB LEU 22 2HB LEU 22 -10.338 -4.215 21.387 127 HG LEU 22 HG LEU 22 -9.267 -1.469 21.971 128 1HD1 LEU 22 1HD1 LEU 22 -8.950 -4.114 23.312 129 2HD1 LEU 22 2HD1 LEU 22 -9.923 -2.752 23.889 130 3HD1 LEU 22 3HD1 LEU 22 -8.157 -2.616 23.808 131 1HD2 LEU 22 1HD2 LEU 22 -8.024 -2.365 20.180 132 2HD2 LEU 22 2HD2 LEU 22 -7.802 -3.913 20.971 133 3HD2 LEU 22 3HD2 LEU 22 -6.984 -2.462 21.592 134 H ARG 23 H ARG 23 -12.766 -1.955 19.094 135 HA ARG 23 HA ARG 23 -14.019 -4.481 18.659 136 1HB ARG 23 1HB ARG 23 -14.856 -1.642 18.161 137 2HB ARG 23 2HB ARG 23 -15.808 -2.976 17.532 138 1HG ARG 23 1HG ARG 23 -16.731 -2.179 19.609 139 2HG ARG 23 2HG ARG 23 -16.100 -3.818 19.798 140 1HD ARG 23 1HD ARG 23 -14.107 -2.901 20.883 141 2HD ARG 23 2HD ARG 23 -14.764 -1.273 20.693 142 HE ARG 23 HE ARG 23 -16.739 -2.417 21.980 143 1HH1 ARG 23 1HH1 ARG 23 -13.279 -2.660 22.652 144 2HH1 ARG 23 2HH1 ARG 23 -13.434 -2.826 24.334 145 1HH2 ARG 23 1HH2 ARG 23 -17.005 -2.613 24.264 146 2HH2 ARG 23 2HH2 ARG 23 -15.654 -2.845 25.284 147 H TYR 24 H TYR 24 -11.937 -2.637 16.856 148 HA TYR 24 HA TYR 24 -12.765 -3.914 14.343 149 1HB TYR 24 1HB TYR 24 -10.933 -1.592 14.974 150 2HB TYR 24 2HB TYR 24 -10.936 -2.381 13.410 151 HD1 TYR 24 HD1 TYR 24 -12.335 -1.626 11.757 152 HD2 TYR 24 HD2 TYR 24 -13.217 -0.595 15.785 153 HE1 TYR 24 HE1 TYR 24 -14.091 -0.117 10.972 154 HE2 TYR 24 HE2 TYR 24 -14.992 0.923 15.008 155 HH TYR 24 HH TYR 24 -16.082 0.893 11.764 156 H GLN 25 H GLN 25 -11.609 -5.731 13.880 157 HA GLN 25 HA GLN 25 -9.123 -5.891 15.324 158 1HB GLN 25 1HB GLN 25 -10.975 -8.088 14.583 159 2HB GLN 25 2HB GLN 25 -9.260 -8.429 14.808 160 1HG GLN 25 1HG GLN 25 -9.423 -7.311 17.032 161 2HG GLN 25 2HG GLN 25 -11.168 -7.250 16.794 162 1HE2 GLN 25 1HE2 GLN 25 -9.417 -8.608 18.713 163 2HE2 GLN 25 2HE2 GLN 25 -9.896 -10.266 18.693 164 H LEU 26 H LEU 26 -7.459 -7.121 14.508 165 HA LEU 26 HA LEU 26 -6.153 -5.783 12.540 166 1HB LEU 26 1HB LEU 26 -5.675 -8.677 13.282 167 2HB LEU 26 2HB LEU 26 -4.523 -7.597 12.544 168 HG LEU 26 HG LEU 26 -3.815 -7.831 14.739 169 1HD1 LEU 26 1HD1 LEU 26 -5.312 -5.252 14.673 170 2HD1 LEU 26 2HD1 LEU 26 -3.668 -5.566 14.102 171 3HD1 LEU 26 3HD1 LEU 26 -4.046 -5.677 15.825 172 1HD2 LEU 26 1HD2 LEU 26 -5.859 -8.866 15.714 173 2HD2 LEU 26 2HD2 LEU 26 -6.584 -7.261 15.885 174 3HD2 LEU 26 3HD2 LEU 26 -5.127 -7.667 16.760 175 H GLY 27 H GLY 27 -7.484 -9.076 12.123 176 1HA GLY 27 1HA GLY 27 -8.723 -9.720 10.234 177 2HA GLY 27 2HA GLY 27 -8.077 -8.334 9.369 178 H PHE 28 H PHE 28 -6.061 -10.518 11.230 179 HA PHE 28 HA PHE 28 -5.488 -12.189 9.031 180 1HB PHE 28 1HB PHE 28 -3.177 -11.651 8.633 181 2HB PHE 28 2HB PHE 28 -4.053 -10.157 8.480 182 HD1 PHE 28 HD1 PHE 28 -4.007 -8.563 10.547 183 HD2 PHE 28 HD2 PHE 28 -1.321 -11.813 10.001 184 HE1 PHE 28 HE1 PHE 28 -2.397 -7.492 12.074 185 HE2 PHE 28 HE2 PHE 28 0.282 -10.752 11.532 186 HZ PHE 28 HZ PHE 28 -0.256 -8.593 12.566 187 H SER 29 H SER 29 -3.889 -13.819 9.661 188 HA SER 29 HA SER 29 -3.910 -14.172 12.560 189 1HB SER 29 1HB SER 29 -5.469 -15.687 11.321 190 2HB SER 29 2HB SER 29 -4.073 -16.297 10.431 191 HG SER 29 HG SER 29 -4.404 -16.362 13.242 192 H VAL 30 H VAL 30 -1.964 -14.333 13.392 193 HA VAL 30 HA VAL 30 0.240 -14.947 11.584 194 HB VAL 30 HB VAL 30 -0.111 -12.532 12.701 195 1HG1 VAL 30 1HG1 VAL 30 1.539 -13.912 14.752 196 2HG1 VAL 30 2HG1 VAL 30 -0.096 -13.276 15.005 197 3HG1 VAL 30 3HG1 VAL 30 1.249 -12.173 14.674 198 1HG2 VAL 30 1HG2 VAL 30 1.628 -13.017 11.152 199 2HG2 VAL 30 2HG2 VAL 30 2.550 -13.861 12.403 200 3HG2 VAL 30 3HG2 VAL 30 2.287 -12.127 12.525 201 H GLN 31 H GLN 31 1.547 -16.574 12.238 202 HA GLN 31 HA GLN 31 1.200 -17.429 14.988 203 1HB GLN 31 1HB GLN 31 1.660 -19.782 14.298 204 2HB GLN 31 2HB GLN 31 0.144 -19.147 13.705 205 1HG GLN 31 1HG GLN 31 1.093 -18.864 11.500 206 2HG GLN 31 2HG GLN 31 2.668 -19.407 12.087 207 1HE2 GLN 31 1HE2 GLN 31 2.961 -21.594 12.592 208 2HE2 GLN 31 2HE2 GLN 31 1.855 -22.805 12.073 209 H ASN 32 H ASN 32 2.795 -16.991 16.097 210 HA ASN 32 HA ASN 32 4.903 -16.855 16.942 211 1HB ASN 32 1HB ASN 32 5.683 -18.553 14.547 212 2HB ASN 32 2HB ASN 32 6.753 -18.158 15.883 213 1HD2 ASN 32 1HD2 ASN 32 7.013 -20.361 16.293 214 2HD2 ASN 32 2HD2 ASN 32 5.789 -21.313 17.049 215 H GLY 33 H GLY 33 3.803 -15.204 14.603 216 1HA GLY 33 1HA GLY 33 4.683 -12.991 14.229 217 2HA GLY 33 2HA GLY 33 6.294 -13.699 14.174 218 H ILE 34 H ILE 34 4.435 -15.828 12.563 219 HA ILE 34 HA ILE 34 5.020 -14.429 10.048 220 HB ILE 34 HB ILE 34 4.928 -17.464 10.387 221 1HG1 ILE 34 1HG1 ILE 34 7.383 -17.325 9.672 222 2HG1 ILE 34 2HG1 ILE 34 7.284 -15.604 9.961 223 1HG2 ILE 34 1HG2 ILE 34 5.593 -15.719 8.040 224 2HG2 ILE 34 2HG2 ILE 34 4.146 -16.715 8.210 225 3HG2 ILE 34 3HG2 ILE 34 5.735 -17.483 8.040 226 1HD1 ILE 34 1HD1 ILE 34 6.919 -17.749 12.042 227 2HD1 ILE 34 2HD1 ILE 34 6.874 -15.999 12.311 228 3HD1 ILE 34 3HD1 ILE 34 8.367 -16.771 11.778 229 H ILE 35 H ILE 35 3.487 -13.983 8.742 230 HA ILE 35 HA ILE 35 0.775 -14.312 9.525 231 HB ILE 35 HB ILE 35 1.933 -13.305 6.923 232 1HG1 ILE 35 1HG1 ILE 35 0.963 -11.685 9.268 233 2HG1 ILE 35 2HG1 ILE 35 2.644 -12.191 9.112 234 1HG2 ILE 35 1HG2 ILE 35 -0.816 -12.959 8.177 235 2HG2 ILE 35 2HG2 ILE 35 -0.447 -13.893 6.731 236 3HG2 ILE 35 3HG2 ILE 35 -0.261 -12.144 6.712 237 1HD1 ILE 35 1HD1 ILE 35 1.144 -10.617 7.082 238 2HD1 ILE 35 2HD1 ILE 35 2.881 -10.963 7.108 239 3HD1 ILE 35 3HD1 ILE 35 2.166 -9.905 8.335 240 H CYS 36 H CYS 36 -0.316 -16.112 9.213 241 HA CYS 36 HA CYS 36 0.511 -17.939 7.082 242 1HB CYS 36 1HB CYS 36 0.432 -18.722 9.462 243 2HB CYS 36 2HB CYS 36 -1.309 -18.487 9.433 244 HG CYS 36 HG CYS 36 0.497 -21.003 8.486 245 H SER 37 H SER 37 -2.173 -15.976 8.195 246 HA SER 37 HA SER 37 -3.457 -16.381 5.681 247 1HB SER 37 1HB SER 37 -5.689 -16.766 7.029 248 2HB SER 37 2HB SER 37 -4.633 -18.123 6.649 249 HG SER 37 HG SER 37 -4.108 -18.322 8.644 250 H LEU 38 H LEU 38 -5.024 -14.769 5.188 251 HA LEU 38 HA LEU 38 -4.940 -12.398 6.898 252 1HB LEU 38 1HB LEU 38 -3.365 -12.112 5.042 253 2HB LEU 38 2HB LEU 38 -4.582 -12.603 3.893 254 HG LEU 38 HG LEU 38 -5.861 -10.526 4.384 255 1HD1 LEU 38 1HD1 LEU 38 -3.478 -9.813 6.074 256 2HD1 LEU 38 2HD1 LEU 38 -5.119 -10.128 6.641 257 3HD1 LEU 38 3HD1 LEU 38 -4.793 -8.727 5.624 258 1HD2 LEU 38 1HD2 LEU 38 -4.307 -10.559 2.517 259 2HD2 LEU 38 2HD2 LEU 38 -2.999 -10.105 3.629 260 3HD2 LEU 38 3HD2 LEU 38 -4.307 -8.977 3.322 261 H MET 39 H MET 39 -6.842 -11.084 6.665 262 HA MET 39 HA MET 39 -9.127 -12.521 5.580 263 1HB MET 39 1HB MET 39 -9.371 -11.862 7.900 264 2HB MET 39 2HB MET 39 -8.946 -10.203 7.506 265 1HG MET 39 1HG MET 39 -10.967 -10.039 6.116 266 2HG MET 39 2HG MET 39 -11.402 -11.677 6.611 267 1HE MET 39 1HE MET 39 -13.759 -10.696 7.349 268 2HE MET 39 2HE MET 39 -13.241 -9.071 6.898 269 3HE MET 39 3HE MET 39 -13.949 -9.360 8.485 270 H ARG 40 H ARG 40 -9.865 -11.920 3.736 271 HA ARG 40 HA ARG 40 -8.932 -9.632 2.348 272 1HB ARG 40 1HB ARG 40 -9.609 -11.743 1.217 273 2HB ARG 40 2HB ARG 40 -11.262 -11.483 1.741 274 1HG ARG 40 1HG ARG 40 -9.854 -9.495 -0.025 275 2HG ARG 40 2HG ARG 40 -10.639 -10.922 -0.694 276 1HD ARG 40 1HD ARG 40 -12.765 -10.215 0.087 277 2HD ARG 40 2HD ARG 40 -12.051 -8.966 1.099 278 HE ARG 40 HE ARG 40 -11.256 -8.085 -1.186 279 1HH1 ARG 40 1HH1 ARG 40 -14.438 -9.639 -0.669 280 2HH1 ARG 40 2HH1 ARG 40 -15.230 -8.519 -1.700 281 1HH2 ARG 40 1HH2 ARG 40 -12.405 -6.696 -2.626 282 2HH2 ARG 40 2HH2 ARG 40 -14.091 -6.909 -2.853 283 H GLY 41 H GLY 41 -9.753 -7.633 2.322 284 1HA GLY 41 1HA GLY 41 -11.320 -5.937 2.567 285 2HA GLY 41 2HA GLY 41 -12.465 -7.112 3.216 286 H GLY 42 H GLY 42 -9.730 -7.733 4.819 287 1HA GLY 42 1HA GLY 42 -10.679 -6.356 7.178 288 2HA GLY 42 2HA GLY 42 -9.350 -7.512 7.097 289 H ILE 43 H ILE 43 -9.190 -5.154 8.535 290 HA ILE 43 HA ILE 43 -8.001 -3.116 7.053 291 HB ILE 43 HB ILE 43 -6.855 -2.569 9.403 292 1HG1 ILE 43 1HG1 ILE 43 -9.333 -4.142 10.143 293 2HG1 ILE 43 2HG1 ILE 43 -7.679 -4.584 10.523 294 1HG2 ILE 43 1HG2 ILE 43 -9.673 -1.956 8.570 295 2HG2 ILE 43 2HG2 ILE 43 -8.177 -1.050 8.243 296 3HG2 ILE 43 3HG2 ILE 43 -8.799 -1.149 9.881 297 1HD1 ILE 43 1HD1 ILE 43 -9.149 -2.166 11.558 298 2HD1 ILE 43 2HD1 ILE 43 -7.484 -2.604 11.950 299 3HD1 ILE 43 3HD1 ILE 43 -8.815 -3.651 12.450 300 H ALA 44 H ALA 44 -6.589 -5.953 8.337 301 HA ALA 44 HA ALA 44 -3.907 -5.234 8.093 302 1HB ALA 44 1HB ALA 44 -3.487 -7.621 8.055 303 2HB ALA 44 2HB ALA 44 -5.199 -7.916 7.726 304 3HB ALA 44 3HB ALA 44 -4.705 -7.198 9.258 305 H GLU 45 H GLU 45 -6.191 -6.567 5.731 306 HA GLU 45 HA GLU 45 -4.428 -6.973 3.587 307 1HB GLU 45 1HB GLU 45 -6.724 -7.801 3.546 308 2HB GLU 45 2HB GLU 45 -7.347 -6.162 3.612 309 1HG GLU 45 1HG GLU 45 -6.342 -5.719 1.408 310 2HG GLU 45 2HG GLU 45 -5.804 -7.397 1.347 311 H ARG 46 H ARG 46 -6.358 -4.271 4.537 312 HA ARG 46 HA ARG 46 -5.674 -2.393 2.525 313 1HB ARG 46 1HB ARG 46 -6.311 -1.663 5.378 314 2HB ARG 46 2HB ARG 46 -6.678 -0.753 3.928 315 1HG ARG 46 1HG ARG 46 -8.358 -2.415 3.300 316 2HG ARG 46 2HG ARG 46 -7.974 -3.357 4.738 317 1HD ARG 46 1HD ARG 46 -8.510 -1.201 6.041 318 2HD ARG 46 2HD ARG 46 -9.272 -0.661 4.547 319 HE ARG 46 HE ARG 46 -10.068 -3.125 5.963 320 1HH1 ARG 46 1HH1 ARG 46 -10.997 -0.210 4.150 321 2HH1 ARG 46 2HH1 ARG 46 -12.670 -0.491 4.376 322 1HH2 ARG 46 1HH2 ARG 46 -12.309 -3.388 6.334 323 2HH2 ARG 46 2HH2 ARG 46 -13.438 -2.248 5.725 324 H GLY 47 H GLY 47 -4.345 -3.156 5.678 325 1HA GLY 47 1HA GLY 47 -2.491 -1.079 5.948 326 2HA GLY 47 2HA GLY 47 -2.456 -2.613 6.798 327 H GLY 48 H GLY 48 -2.247 -4.159 4.283 328 1HA GLY 48 1HA GLY 48 -0.603 -4.213 2.478 329 2HA GLY 48 2HA GLY 48 0.515 -3.406 3.572 330 H VAL 49 H VAL 49 -1.385 -5.645 5.178 331 HA VAL 49 HA VAL 49 0.810 -7.354 5.749 332 HB VAL 49 HB VAL 49 -2.147 -7.522 6.298 333 1HG1 VAL 49 1HG1 VAL 49 0.065 -9.079 7.610 334 2HG1 VAL 49 2HG1 VAL 49 -1.078 -9.744 6.442 335 3HG1 VAL 49 3HG1 VAL 49 -1.644 -9.192 8.021 336 1HG2 VAL 49 1HG2 VAL 49 -1.203 -5.615 7.363 337 2HG2 VAL 49 2HG2 VAL 49 0.104 -6.582 8.047 338 3HG2 VAL 49 3HG2 VAL 49 -1.554 -6.813 8.603 339 H ARG 50 H ARG 50 1.288 -9.290 4.790 340 HA ARG 50 HA ARG 50 -0.604 -10.696 3.076 341 1HB ARG 50 1HB ARG 50 2.067 -9.642 2.090 342 2HB ARG 50 2HB ARG 50 1.213 -10.973 1.326 343 1HG ARG 50 1HG ARG 50 0.087 -8.199 1.654 344 2HG ARG 50 2HG ARG 50 0.894 -8.791 0.193 345 1HD ARG 50 1HD ARG 50 -0.809 -10.431 -0.158 346 2HD ARG 50 2HD ARG 50 -1.524 -10.128 1.420 347 HE ARG 50 HE ARG 50 -1.899 -7.792 0.422 348 1HH1 ARG 50 1HH1 ARG 50 -2.041 -10.778 -1.491 349 2HH1 ARG 50 2HH1 ARG 50 -3.344 -10.269 -2.452 350 1HH2 ARG 50 1HH2 ARG 50 -3.771 -7.132 -0.894 351 2HH2 ARG 50 2HH2 ARG 50 -4.389 -8.189 -2.069 352 H VAL 51 H VAL 51 -0.209 -12.679 2.752 353 HA VAL 51 HA VAL 51 0.764 -14.025 5.034 354 HB VAL 51 HB VAL 51 -0.338 -14.835 2.392 355 1HG1 VAL 51 1HG1 VAL 51 -0.660 -17.140 3.354 356 2HG1 VAL 51 2HG1 VAL 51 0.207 -16.624 4.799 357 3HG1 VAL 51 3HG1 VAL 51 1.051 -16.717 3.253 358 1HG2 VAL 51 1HG2 VAL 51 -1.888 -13.713 3.814 359 2HG2 VAL 51 2HG2 VAL 51 -1.524 -14.821 5.140 360 3HG2 VAL 51 3HG2 VAL 51 -2.342 -15.416 3.699 361 H GLY 52 H GLY 52 2.485 -15.412 5.243 362 1HA GLY 52 1HA GLY 52 4.447 -16.500 4.656 363 2HA GLY 52 2HA GLY 52 4.300 -15.843 3.027 364 H HIS 53 H HIS 53 3.923 -13.638 5.531 365 HA HIS 53 HA HIS 53 6.704 -12.779 5.291 366 1HB HIS 53 1HB HIS 53 4.222 -11.032 5.489 367 2HB HIS 53 2HB HIS 53 5.858 -10.437 5.733 368 HD1 HIS 53 HD1 HIS 53 7.019 -9.532 3.622 369 HD2 HIS 53 HD2 HIS 53 3.777 -12.016 2.745 370 HE1 HIS 53 HE1 HIS 53 6.712 -9.394 1.187 371 HE2 HIS 53 HE2 HIS 53 4.599 -10.635 0.713 372 H ARG 54 H ARG 54 7.608 -11.943 7.159 373 HA ARG 54 HA ARG 54 6.229 -12.830 9.588 374 1HB ARG 54 1HB ARG 54 8.321 -14.035 9.330 375 2HB ARG 54 2HB ARG 54 9.196 -12.524 9.117 376 1HG ARG 54 1HG ARG 54 8.935 -11.886 11.320 377 2HG ARG 54 2HG ARG 54 7.635 -13.037 11.619 378 1HD ARG 54 1HD ARG 54 9.578 -13.803 12.738 379 2HD ARG 54 2HD ARG 54 9.304 -14.850 11.357 380 HE ARG 54 HE ARG 54 11.091 -12.941 10.505 381 1HH1 ARG 54 1HH1 ARG 54 10.957 -15.246 13.174 382 2HH1 ARG 54 2HH1 ARG 54 12.594 -15.670 13.113 383 1HH2 ARG 54 1HH2 ARG 54 13.352 -13.383 10.464 384 2HH2 ARG 54 2HH2 ARG 54 14.050 -14.508 11.551 385 H ILE 55 H ILE 55 5.762 -11.503 11.052 386 HA ILE 55 HA ILE 55 6.123 -8.653 10.767 387 HB ILE 55 HB ILE 55 5.285 -10.094 13.285 388 1HG1 ILE 55 1HG1 ILE 55 3.895 -10.902 11.364 389 2HG1 ILE 55 2HG1 ILE 55 2.964 -10.056 12.604 390 1HG2 ILE 55 1HG2 ILE 55 4.641 -7.375 12.171 391 2HG2 ILE 55 2HG2 ILE 55 5.744 -7.737 13.495 392 3HG2 ILE 55 3HG2 ILE 55 4.017 -8.033 13.680 393 1HD1 ILE 55 1HD1 ILE 55 3.794 -9.125 9.893 394 2HD1 ILE 55 2HD1 ILE 55 3.122 -8.054 11.118 395 3HD1 ILE 55 3HD1 ILE 55 2.152 -9.400 10.491 396 H ILE 56 H ILE 56 8.113 -7.811 11.216 397 HA ILE 56 HA ILE 56 9.637 -9.073 13.318 398 HB ILE 56 HB ILE 56 11.626 -8.061 12.495 399 1HG1 ILE 56 1HG1 ILE 56 9.988 -6.722 10.344 400 2HG1 ILE 56 2HG1 ILE 56 10.538 -5.917 11.819 401 1HG2 ILE 56 1HG2 ILE 56 9.980 -9.183 10.218 402 2HG2 ILE 56 2HG2 ILE 56 10.929 -10.116 11.375 403 3HG2 ILE 56 3HG2 ILE 56 11.738 -9.044 10.236 404 1HD1 ILE 56 1HD1 ILE 56 12.244 -7.207 9.763 405 2HD1 ILE 56 2HD1 ILE 56 12.787 -6.421 11.245 406 3HD1 ILE 56 3HD1 ILE 56 12.003 -5.456 9.962 407 H GLU 57 H GLU 57 7.702 -6.411 12.844 408 HA GLU 57 HA GLU 57 8.399 -5.359 15.446 409 1HB GLU 57 1HB GLU 57 10.053 -4.225 14.005 410 2HB GLU 57 2HB GLU 57 8.746 -3.673 12.959 411 1HG GLU 57 1HG GLU 57 7.869 -2.364 14.840 412 2HG GLU 57 2HG GLU 57 9.242 -2.887 15.809 413 H ILE 58 H ILE 58 6.786 -4.189 16.310 414 HA ILE 58 HA ILE 58 4.413 -3.587 14.698 415 HB ILE 58 HB ILE 58 4.436 -5.056 17.330 416 1HG1 ILE 58 1HG1 ILE 58 3.188 -6.000 14.768 417 2HG1 ILE 58 2HG1 ILE 58 4.856 -6.374 15.196 418 1HG2 ILE 58 1HG2 ILE 58 2.126 -4.050 15.641 419 2HG2 ILE 58 2HG2 ILE 58 2.605 -3.395 17.196 420 3HG2 ILE 58 3HG2 ILE 58 1.931 -5.033 17.098 421 1HD1 ILE 58 1HD1 ILE 58 2.435 -7.102 16.837 422 2HD1 ILE 58 2HD1 ILE 58 4.142 -7.500 17.160 423 3HD1 ILE 58 3HD1 ILE 58 3.340 -8.181 15.758 424 H ASN 59 H ASN 59 4.069 -1.513 15.057 425 HA ASN 59 HA ASN 59 3.633 0.469 16.035 426 1HB ASN 59 1HB ASN 59 2.229 -1.197 17.456 427 2HB ASN 59 2HB ASN 59 3.448 -0.951 18.693 428 1HD2 ASN 59 1HD2 ASN 59 0.911 0.492 16.859 429 2HD2 ASN 59 2HD2 ASN 59 0.647 1.873 17.852 430 H GLY 60 H GLY 60 6.411 -0.629 15.986 431 1HA GLY 60 1HA GLY 60 8.279 0.848 16.331 432 2HA GLY 60 2HA GLY 60 7.537 1.355 17.837 433 H GLN 61 H GLN 61 7.105 -1.864 18.034 434 HA GLN 61 HA GLN 61 9.776 -2.187 19.197 435 1HB GLN 61 1HB GLN 61 8.895 -3.713 20.871 436 2HB GLN 61 2HB GLN 61 8.102 -2.158 20.995 437 1HG GLN 61 1HG GLN 61 6.094 -3.021 20.076 438 2HG GLN 61 2HG GLN 61 6.887 -4.515 19.578 439 1HE2 GLN 61 1HE2 GLN 61 7.410 -6.048 21.131 440 2HE2 GLN 61 2HE2 GLN 61 6.711 -6.077 22.699 441 H SER 62 H SER 62 10.998 -3.840 18.734 442 HA SER 62 HA SER 62 10.273 -5.328 16.456 443 1HB SER 62 1HB SER 62 12.580 -6.443 17.246 444 2HB SER 62 2HB SER 62 12.523 -4.875 16.429 445 HG SER 62 HG SER 62 12.934 -5.465 19.155 446 H VAL 63 H VAL 63 8.957 -7.058 16.513 447 HA VAL 63 HA VAL 63 8.755 -8.583 18.978 448 HB VAL 63 HB VAL 63 6.520 -9.102 18.178 449 1HG1 VAL 63 1HG1 VAL 63 7.137 -6.133 18.040 450 2HG1 VAL 63 2HG1 VAL 63 6.846 -7.050 19.502 451 3HG1 VAL 63 3HG1 VAL 63 5.541 -6.816 18.346 452 1HG2 VAL 63 1HG2 VAL 63 7.085 -9.092 15.771 453 2HG2 VAL 63 2HG2 VAL 63 7.173 -7.327 15.815 454 3HG2 VAL 63 3HG2 VAL 63 5.643 -8.147 16.120 455 H VAL 64 H VAL 64 10.633 -8.682 16.684 456 HA VAL 64 HA VAL 64 9.938 -10.963 15.158 457 HB VAL 64 HB VAL 64 11.414 -9.060 14.465 458 1HG1 VAL 64 1HG1 VAL 64 13.475 -10.503 16.054 459 2HG1 VAL 64 2HG1 VAL 64 12.827 -8.885 16.338 460 3HG1 VAL 64 3HG1 VAL 64 13.790 -9.210 14.888 461 1HG2 VAL 64 1HG2 VAL 64 11.111 -10.968 13.158 462 2HG2 VAL 64 2HG2 VAL 64 12.389 -11.863 14.009 463 3HG2 VAL 64 3HG2 VAL 64 12.783 -10.437 13.014 464 H ALA 65 H ALA 65 11.324 -10.556 18.244 465 HA ALA 65 HA ALA 65 12.001 -13.405 18.280 466 1HB ALA 65 1HB ALA 65 13.574 -12.847 20.100 467 2HB ALA 65 2HB ALA 65 13.131 -11.141 19.924 468 3HB ALA 65 3HB ALA 65 13.951 -11.978 18.606 469 H THR 66 H THR 66 9.530 -11.587 18.827 470 HA THR 66 HA THR 66 8.987 -12.032 21.571 471 HB THR 66 HB THR 66 7.420 -10.773 19.274 472 HG1 THR 66 HG1 THR 66 9.142 -9.880 21.281 473 1HG2 THR 66 1HG2 THR 66 6.828 -10.690 22.245 474 2HG2 THR 66 2HG2 THR 66 5.918 -11.612 21.057 475 3HG2 THR 66 3HG2 THR 66 5.956 -9.851 20.960 476 HA PRO 67 HA PRO 67 7.108 -16.079 20.945 477 1HB PRO 67 1HB PRO 67 5.342 -15.224 23.170 478 2HB PRO 67 2HB PRO 67 6.351 -16.664 23.030 479 1HG PRO 67 1HG PRO 67 7.053 -14.658 24.618 480 2HG PRO 67 2HG PRO 67 8.270 -15.542 23.678 481 1HD PRO 67 1HD PRO 67 7.083 -12.849 23.198 482 2HD PRO 67 2HD PRO 67 8.747 -13.428 22.959 483 H HIS 68 H HIS 68 5.232 -16.986 20.221 484 HA HIS 68 HA HIS 68 3.489 -15.812 18.459 485 1HB HIS 68 1HB HIS 68 3.761 -18.238 18.710 486 2HB HIS 68 2HB HIS 68 3.018 -18.184 20.296 487 HD1 HIS 68 HD1 HIS 68 2.262 -19.377 17.136 488 HD2 HIS 68 HD2 HIS 68 0.102 -17.073 19.853 489 HE1 HIS 68 HE1 HIS 68 -0.145 -19.574 16.444 490 HE2 HIS 68 HE2 HIS 68 -1.381 -18.567 18.353 491 H GLU 69 H GLU 69 2.770 -16.576 21.827 492 HA GLU 69 HA GLU 69 0.146 -15.650 21.920 493 1HB GLU 69 1HB GLU 69 1.242 -17.084 23.563 494 2HB GLU 69 2HB GLU 69 2.215 -15.696 24.059 495 1HG GLU 69 1HG GLU 69 0.038 -14.539 24.561 496 2HG GLU 69 2HG GLU 69 -0.712 -16.126 24.375 497 H LYS 70 H LYS 70 3.192 -14.119 22.652 498 HA LYS 70 HA LYS 70 2.184 -11.720 23.704 499 1HB LYS 70 1HB LYS 70 4.812 -12.685 22.774 500 2HB LYS 70 2HB LYS 70 4.589 -10.959 22.739 501 1HG LYS 70 1HG LYS 70 5.590 -11.729 24.820 502 2HG LYS 70 2HG LYS 70 4.040 -10.925 25.071 503 1HD LYS 70 1HD LYS 70 3.003 -13.223 25.090 504 2HD LYS 70 2HD LYS 70 4.647 -13.862 25.156 505 1HE LYS 70 1HE LYS 70 5.095 -12.596 27.108 506 2HE LYS 70 2HE LYS 70 3.501 -11.854 26.985 507 1HZ LYS 70 1HZ LYS 70 3.496 -13.721 28.646 508 2HZ LYS 70 2HZ LYS 70 3.954 -14.793 27.419 509 3HZ LYS 70 3HZ LYS 70 2.462 -14.071 27.350 510 H ILE 71 H ILE 71 3.494 -12.464 20.546 511 HA ILE 71 HA ILE 71 3.064 -10.039 19.324 512 HB ILE 71 HB ILE 71 2.915 -12.827 18.126 513 1HG1 ILE 71 1HG1 ILE 71 5.165 -10.821 18.272 514 2HG1 ILE 71 2HG1 ILE 71 5.019 -12.280 19.241 515 1HG2 ILE 71 1HG2 ILE 71 3.331 -10.192 16.741 516 2HG2 ILE 71 2HG2 ILE 71 1.854 -11.182 16.653 517 3HG2 ILE 71 3HG2 ILE 71 3.383 -11.801 16.003 518 1HD1 ILE 71 1HD1 ILE 71 5.311 -12.187 16.256 519 2HD1 ILE 71 2HD1 ILE 71 5.237 -13.641 17.266 520 3HD1 ILE 71 3HD1 ILE 71 6.594 -12.515 17.419 521 H VAL 72 H VAL 72 0.817 -12.728 19.742 522 HA VAL 72 HA VAL 72 -1.283 -11.480 18.277 523 HB VAL 72 HB VAL 72 -1.308 -13.823 20.210 524 1HG1 VAL 72 1HG1 VAL 72 -3.529 -12.904 18.374 525 2HG1 VAL 72 2HG1 VAL 72 -3.534 -12.808 20.140 526 3HG1 VAL 72 3HG1 VAL 72 -3.510 -14.382 19.343 527 1HG2 VAL 72 1HG2 VAL 72 -0.039 -14.194 18.191 528 2HG2 VAL 72 2HG2 VAL 72 -1.398 -13.659 17.210 529 3HG2 VAL 72 3HG2 VAL 72 -1.526 -15.150 18.155 530 H HIS 73 H HIS 73 -0.403 -11.568 21.688 531 HA HIS 73 HA HIS 73 -2.853 -10.479 22.692 532 1HB HIS 73 1HB HIS 73 -1.320 -11.832 24.096 533 2HB HIS 73 2HB HIS 73 -0.095 -10.582 23.960 534 HD1 HIS 73 HD1 HIS 73 -3.258 -11.437 25.701 535 HD2 HIS 73 HD2 HIS 73 -0.520 -8.333 25.627 536 HE1 HIS 73 HE1 HIS 73 -3.784 -10.025 27.718 537 HE2 HIS 73 HE2 HIS 73 -2.408 -7.973 27.332 538 H ILE 74 H ILE 74 0.275 -9.203 21.830 539 HA ILE 74 HA ILE 74 -0.189 -6.592 22.657 540 HB ILE 74 HB ILE 74 1.859 -7.903 20.879 541 1HG1 ILE 74 1HG1 ILE 74 2.314 -6.675 23.569 542 2HG1 ILE 74 2HG1 ILE 74 1.500 -8.228 23.460 543 1HG2 ILE 74 1HG2 ILE 74 1.846 -5.057 21.907 544 2HG2 ILE 74 2HG2 ILE 74 1.604 -5.534 20.227 545 3HG2 ILE 74 3HG2 ILE 74 3.159 -5.838 21.014 546 1HD1 ILE 74 1HD1 ILE 74 4.263 -7.558 22.488 547 2HD1 ILE 74 2HD1 ILE 74 3.328 -9.034 22.157 548 3HD1 ILE 74 3HD1 ILE 74 3.777 -8.672 23.821 549 H LEU 75 H LEU 75 -0.342 -8.227 19.487 550 HA LEU 75 HA LEU 75 -1.235 -6.017 17.979 551 1HB LEU 75 1HB LEU 75 -1.784 -8.953 17.655 552 2HB LEU 75 2HB LEU 75 -2.436 -7.765 16.546 553 HG LEU 75 HG LEU 75 0.496 -8.237 17.049 554 1HD1 LEU 75 1HD1 LEU 75 0.481 -9.260 14.826 555 2HD1 LEU 75 2HD1 LEU 75 -1.270 -9.066 14.748 556 3HD1 LEU 75 3HD1 LEU 75 -0.553 -10.140 15.950 557 1HD2 LEU 75 1HD2 LEU 75 -0.020 -5.933 16.352 558 2HD2 LEU 75 2HD2 LEU 75 -0.948 -6.556 14.995 559 3HD2 LEU 75 3HD2 LEU 75 0.793 -6.820 15.064 560 H SER 76 H SER 76 -3.071 -8.380 19.811 561 HA SER 76 HA SER 76 -5.627 -7.546 19.150 562 1HB SER 76 1HB SER 76 -5.148 -9.689 20.267 563 2HB SER 76 2HB SER 76 -4.689 -8.824 21.732 564 HG SER 76 HG SER 76 -6.676 -8.674 22.244 565 H ASN 77 H ASN 77 -3.368 -6.023 21.340 566 HA ASN 77 HA ASN 77 -5.610 -4.382 22.282 567 1HB ASN 77 1HB ASN 77 -3.033 -5.028 23.691 568 2HB ASN 77 2HB ASN 77 -4.106 -3.736 24.223 569 1HD2 ASN 77 1HD2 ASN 77 -3.729 -7.168 23.835 570 2HD2 ASN 77 2HD2 ASN 77 -5.049 -7.657 24.816 571 H ALA 78 H ALA 78 -3.177 -4.186 20.108 572 HA ALA 78 HA ALA 78 -2.792 -1.383 20.692 573 1HB ALA 78 1HB ALA 78 -0.964 -1.394 19.011 574 2HB ALA 78 2HB ALA 78 -1.347 -3.056 18.600 575 3HB ALA 78 3HB ALA 78 -0.722 -2.672 20.199 576 H VAL 79 H VAL 79 -3.654 0.204 19.580 577 HA VAL 79 HA VAL 79 -5.036 -0.471 17.084 578 HB VAL 79 HB VAL 79 -7.055 0.546 17.717 579 1HG1 VAL 79 1HG1 VAL 79 -6.060 -0.465 20.255 580 2HG1 VAL 79 2HG1 VAL 79 -6.830 -1.338 18.932 581 3HG1 VAL 79 3HG1 VAL 79 -7.736 -0.114 19.832 582 1HG2 VAL 79 1HG2 VAL 79 -6.131 2.692 18.289 583 2HG2 VAL 79 2HG2 VAL 79 -5.699 2.086 19.914 584 3HG2 VAL 79 3HG2 VAL 79 -7.402 2.157 19.384 585 H GLY 80 H GLY 80 -5.743 1.896 16.105 586 1HA GLY 80 1HA GLY 80 -5.125 4.003 15.438 587 2HA GLY 80 2HA GLY 80 -3.636 3.873 16.382 588 H GLU 81 H GLU 81 -2.738 4.751 14.390 589 HA GLU 81 HA GLU 81 -2.393 2.993 12.147 590 1HB GLU 81 1HB GLU 81 -0.948 5.450 13.136 591 2HB GLU 81 2HB GLU 81 -0.521 4.627 11.649 592 1HG GLU 81 1HG GLU 81 -2.498 5.160 10.629 593 2HG GLU 81 2HG GLU 81 -3.287 5.624 12.147 594 H ILE 82 H ILE 82 -1.094 1.181 12.189 595 HA ILE 82 HA ILE 82 0.857 1.131 14.392 596 HB ILE 82 HB ILE 82 -0.753 -1.133 13.214 597 1HG1 ILE 82 1HG1 ILE 82 -0.967 0.023 15.994 598 2HG1 ILE 82 2HG1 ILE 82 -1.992 0.539 14.664 599 1HG2 ILE 82 1HG2 ILE 82 0.185 -2.489 15.054 600 2HG2 ILE 82 2HG2 ILE 82 1.187 -1.115 15.533 601 3HG2 ILE 82 3HG2 ILE 82 1.439 -1.888 13.969 602 1HD1 ILE 82 1HD1 ILE 82 -1.837 -2.271 15.756 603 2HD1 ILE 82 2HD1 ILE 82 -2.908 -1.698 14.471 604 3HD1 ILE 82 3HD1 ILE 82 -3.100 -1.088 16.098 605 H HIS 83 H HIS 83 2.774 1.197 13.694 606 HA HIS 83 HA HIS 83 3.530 0.537 10.965 607 1HB HIS 83 1HB HIS 83 5.161 1.443 13.360 608 2HB HIS 83 2HB HIS 83 5.862 1.051 11.808 609 HD1 HIS 83 HD1 HIS 83 6.397 3.033 10.499 610 HD2 HIS 83 HD2 HIS 83 3.186 3.737 13.043 611 HE1 HIS 83 HE1 HIS 83 5.811 5.457 10.190 612 HE2 HIS 83 HE2 HIS 83 3.960 5.903 11.825 613 H MET 84 H MET 84 3.694 -1.525 10.534 614 HA MET 84 HA MET 84 5.213 -3.139 12.455 615 1HB MET 84 1HB MET 84 3.336 -4.104 10.325 616 2HB MET 84 2HB MET 84 4.235 -5.118 11.435 617 1HG MET 84 1HG MET 84 2.938 -4.082 13.286 618 2HG MET 84 2HG MET 84 1.953 -3.274 12.053 619 1HE MET 84 1HE MET 84 2.511 -5.891 9.968 620 2HE MET 84 2HE MET 84 1.164 -4.781 9.930 621 3HE MET 84 3HE MET 84 0.860 -6.535 10.017 622 H LYS 85 H LYS 85 6.678 -4.627 11.400 623 HA LYS 85 HA LYS 85 7.460 -3.720 8.717 624 1HB LYS 85 1HB LYS 85 9.268 -4.625 10.975 625 2HB LYS 85 2HB LYS 85 9.787 -4.152 9.368 626 1HG LYS 85 1HG LYS 85 8.359 -2.333 11.168 627 2HG LYS 85 2HG LYS 85 10.131 -2.527 11.269 628 1HD LYS 85 1HD LYS 85 9.839 -2.058 8.658 629 2HD LYS 85 2HD LYS 85 8.382 -1.251 9.237 630 1HE LYS 85 1HE LYS 85 11.142 -0.793 10.260 631 2HE LYS 85 2HE LYS 85 10.349 0.251 9.077 632 1HZ LYS 85 1HZ LYS 85 9.427 -0.188 11.906 633 2HZ LYS 85 2HZ LYS 85 8.744 0.904 10.800 634 3HZ LYS 85 3HZ LYS 85 10.314 1.107 11.344 635 H THR 86 H THR 86 7.247 -5.346 7.440 636 HA THR 86 HA THR 86 7.424 -8.025 8.621 637 HB THR 86 HB THR 86 5.786 -8.865 6.989 638 HG1 THR 86 HG1 THR 86 5.794 -6.165 6.074 639 1HG2 THR 86 1HG2 THR 86 4.736 -6.346 8.301 640 2HG2 THR 86 2HG2 THR 86 5.001 -7.861 9.127 641 3HG2 THR 86 3HG2 THR 86 3.789 -7.762 7.846 642 H MET 87 H MET 87 8.587 -9.596 7.600 643 HA MET 87 HA MET 87 10.161 -8.767 5.218 644 1HB MET 87 1HB MET 87 11.009 -10.612 7.483 645 2HB MET 87 2HB MET 87 11.955 -10.273 6.044 646 1HG MET 87 1HG MET 87 12.025 -7.911 6.719 647 2HG MET 87 2HG MET 87 11.195 -8.378 8.216 648 1HE MET 87 1HE MET 87 15.472 -9.720 7.054 649 2HE MET 87 2HE MET 87 14.492 -8.605 6.104 650 3HE MET 87 3HE MET 87 14.044 -10.307 6.204 651 HA PRO 88 HA PRO 88 8.591 -12.545 3.334 652 1HB PRO 88 1HB PRO 88 11.281 -13.490 2.572 653 2HB PRO 88 2HB PRO 88 9.938 -13.010 1.534 654 1HG PRO 88 1HG PRO 88 12.117 -11.481 1.756 655 2HG PRO 88 2HG PRO 88 10.504 -10.754 1.631 656 1HD PRO 88 1HD PRO 88 12.197 -11.200 4.067 657 2HD PRO 88 2HD PRO 88 11.285 -9.751 3.587 658 H ALA 89 H ALA 89 9.672 -12.725 6.146 659 HA ALA 89 HA ALA 89 9.904 -14.221 7.858 660 1HB ALA 89 1HB ALA 89 8.768 -16.372 7.642 661 2HB ALA 89 2HB ALA 89 8.700 -16.161 5.881 662 3HB ALA 89 3HB ALA 89 7.824 -15.053 6.945 663 H ALA 90 H ALA 90 12.083 -13.713 6.262 664 HA ALA 90 HA ALA 90 13.620 -16.166 6.487 665 1HB ALA 90 1HB ALA 90 15.041 -15.205 4.706 666 2HB ALA 90 2HB ALA 90 13.913 -13.857 4.555 667 3HB ALA 90 3HB ALA 90 13.394 -15.493 4.147 Start of MODEL 17 1 H GLU 7 1H GLU 7 24.047 -0.753 9.604 2 HA GLU 7 HA GLU 7 22.731 -3.102 8.448 3 1HB GLU 7 1HB GLU 7 22.678 -1.856 11.185 4 2HB GLU 7 2HB GLU 7 21.448 -2.988 10.633 5 1HG GLU 7 1HG GLU 7 24.395 -3.562 10.785 6 2HG GLU 7 2HG GLU 7 23.188 -4.066 11.973 7 H THR 8 H THR 8 20.760 -2.944 7.763 8 HA THR 8 HA THR 8 19.227 -0.533 8.064 9 HB THR 8 HB THR 8 20.566 -0.098 6.040 10 HG1 THR 8 HG1 THR 8 18.327 -0.729 4.653 11 1HG2 THR 8 1HG2 THR 8 19.487 -2.731 5.015 12 2HG2 THR 8 2HG2 THR 8 21.162 -2.395 5.453 13 3HG2 THR 8 3HG2 THR 8 20.431 -1.579 4.072 14 H MET 9 H MET 9 16.957 -1.058 7.397 15 HA MET 9 HA MET 9 16.463 -3.843 7.939 16 1HB MET 9 1HB MET 9 14.572 -1.504 7.658 17 2HB MET 9 2HB MET 9 14.041 -3.147 7.981 18 1HG MET 9 1HG MET 9 15.874 -1.520 9.728 19 2HG MET 9 2HG MET 9 14.156 -1.798 10.017 20 1HE MET 9 1HE MET 9 14.865 -2.611 12.485 21 2HE MET 9 2HE MET 9 16.574 -2.404 12.096 22 3HE MET 9 3HE MET 9 16.003 -3.925 12.785 23 H GLY 10 H GLY 10 17.272 -4.751 6.120 24 1HA GLY 10 1HA GLY 10 16.060 -4.116 3.548 25 2HA GLY 10 2HA GLY 10 17.423 -5.199 3.822 26 H ASN 11 H ASN 11 14.869 -5.537 2.368 27 HA ASN 11 HA ASN 11 13.256 -7.002 1.992 28 1HB ASN 11 1HB ASN 11 14.923 -8.839 3.751 29 2HB ASN 11 2HB ASN 11 13.449 -9.367 2.964 30 1HD2 ASN 11 1HD2 ASN 11 13.489 -9.789 0.755 31 2HD2 ASN 11 2HD2 ASN 11 14.950 -9.909 -0.127 32 H VAL 12 H VAL 12 12.260 -5.292 3.197 33 HA VAL 12 HA VAL 12 10.731 -6.424 5.326 34 HB VAL 12 HB VAL 12 12.397 -3.968 5.473 35 1HG1 VAL 12 1HG1 VAL 12 10.045 -4.713 7.270 36 2HG1 VAL 12 2HG1 VAL 12 10.124 -3.305 6.206 37 3HG1 VAL 12 3HG1 VAL 12 11.174 -3.402 7.620 38 1HG2 VAL 12 1HG2 VAL 12 13.415 -5.984 6.365 39 2HG2 VAL 12 2HG2 VAL 12 11.998 -6.218 7.409 40 3HG2 VAL 12 3HG2 VAL 12 13.065 -4.856 7.684 41 H THR 13 H THR 13 8.856 -6.033 4.965 42 HA THR 13 HA THR 13 7.929 -3.856 3.241 43 HB THR 13 HB THR 13 6.820 -6.497 4.079 44 HG1 THR 13 HG1 THR 13 8.086 -5.720 1.672 45 1HG2 THR 13 1HG2 THR 13 5.743 -4.493 2.108 46 2HG2 THR 13 2HG2 THR 13 5.078 -4.885 3.700 47 3HG2 THR 13 3HG2 THR 13 5.049 -6.096 2.407 48 H THR 14 H THR 14 7.279 -2.281 4.511 49 HA THR 14 HA THR 14 6.513 -2.850 7.204 50 HB THR 14 HB THR 14 6.518 -0.328 5.646 51 HG1 THR 14 HG1 THR 14 8.676 -1.091 5.791 52 1HG2 THR 14 1HG2 THR 14 6.436 -0.851 8.628 53 2HG2 THR 14 2HG2 THR 14 5.163 -0.126 7.648 54 3HG2 THR 14 3HG2 THR 14 6.668 0.756 7.939 55 H VAL 15 H VAL 15 4.502 -2.694 7.916 56 HA VAL 15 HA VAL 15 2.342 -2.400 5.980 57 HB VAL 15 HB VAL 15 2.788 -4.249 8.280 58 1HG1 VAL 15 1HG1 VAL 15 0.142 -3.682 6.900 59 2HG1 VAL 15 2HG1 VAL 15 0.563 -3.376 8.605 60 3HG1 VAL 15 3HG1 VAL 15 0.477 -5.025 8.008 61 1HG2 VAL 15 1HG2 VAL 15 3.572 -5.013 6.149 62 2HG2 VAL 15 2HG2 VAL 15 1.999 -4.625 5.436 63 3HG2 VAL 15 3HG2 VAL 15 2.113 -5.952 6.580 64 H LEU 16 H LEU 16 0.777 -1.030 6.614 65 HA LEU 16 HA LEU 16 1.034 -0.117 9.329 66 1HB LEU 16 1HB LEU 16 1.648 1.666 7.814 67 2HB LEU 16 2HB LEU 16 0.112 1.490 6.978 68 HG LEU 16 HG LEU 16 -0.948 1.893 9.255 69 1HD1 LEU 16 1HD1 LEU 16 0.998 1.657 10.576 70 2HD1 LEU 16 2HD1 LEU 16 0.307 3.269 10.768 71 3HD1 LEU 16 3HD1 LEU 16 1.753 3.027 9.775 72 1HD2 LEU 16 1HD2 LEU 16 -1.103 3.368 7.433 73 2HD2 LEU 16 2HD2 LEU 16 0.480 4.078 7.853 74 3HD2 LEU 16 3HD2 LEU 16 -0.909 4.214 8.981 75 H ILE 17 H ILE 17 -0.477 -0.865 10.397 76 HA ILE 17 HA ILE 17 -3.093 -1.283 9.205 77 HB ILE 17 HB ILE 17 -1.538 -2.625 11.330 78 1HG1 ILE 17 1HG1 ILE 17 -2.407 -3.679 9.270 79 2HG1 ILE 17 2HG1 ILE 17 -2.913 -4.512 10.740 80 1HG2 ILE 17 1HG2 ILE 17 -3.388 -3.172 12.816 81 2HG2 ILE 17 2HG2 ILE 17 -4.455 -2.165 11.829 82 3HG2 ILE 17 3HG2 ILE 17 -3.163 -1.403 12.759 83 1HD1 ILE 17 1HD1 ILE 17 -4.562 -2.681 9.017 84 2HD1 ILE 17 2HD1 ILE 17 -4.995 -3.127 10.635 85 3HD1 ILE 17 3HD1 ILE 17 -4.866 -4.387 9.407 86 H ARG 18 H ARG 18 -4.499 0.268 9.482 87 HA ARG 18 HA ARG 18 -4.105 1.857 11.863 88 1HB ARG 18 1HB ARG 18 -5.475 2.567 9.290 89 2HB ARG 18 2HB ARG 18 -5.608 3.549 10.749 90 1HG ARG 18 1HG ARG 18 -3.096 3.643 10.772 91 2HG ARG 18 2HG ARG 18 -3.145 2.929 9.160 92 1HD ARG 18 1HD ARG 18 -2.936 5.329 9.121 93 2HD ARG 18 2HD ARG 18 -4.463 4.791 8.366 94 HE ARG 18 HE ARG 18 -4.490 5.582 11.163 95 1HH1 ARG 18 1HH1 ARG 18 -5.091 6.577 7.819 96 2HH1 ARG 18 2HH1 ARG 18 -6.158 7.836 8.264 97 1HH2 ARG 18 1HH2 ARG 18 -5.916 7.265 11.751 98 2HH2 ARG 18 2HH2 ARG 18 -6.648 8.261 10.580 99 H ARG 19 H ARG 19 -5.012 1.087 13.281 100 HA ARG 19 HA ARG 19 -7.625 -0.170 13.037 101 1HB ARG 19 1HB ARG 19 -5.860 -1.543 13.926 102 2HB ARG 19 2HB ARG 19 -5.499 -0.339 15.149 103 1HG ARG 19 1HG ARG 19 -7.549 -0.723 16.238 104 2HG ARG 19 2HG ARG 19 -8.119 -1.804 14.950 105 1HD ARG 19 1HD ARG 19 -6.146 -3.268 15.490 106 2HD ARG 19 2HD ARG 19 -5.853 -2.250 16.901 107 HE ARG 19 HE ARG 19 -8.504 -3.099 16.726 108 1HH1 ARG 19 1HH1 ARG 19 -5.362 -4.013 17.950 109 2HH1 ARG 19 2HH1 ARG 19 -5.865 -5.401 18.766 110 1HH2 ARG 19 1HH2 ARG 19 -9.298 -5.031 17.860 111 2HH2 ARG 19 2HH2 ARG 19 -8.215 -6.013 18.720 112 HA PRO 20 HA PRO 20 -9.054 3.754 14.886 113 1HB PRO 20 1HB PRO 20 -11.528 2.073 14.989 114 2HB PRO 20 2HB PRO 20 -11.333 3.742 14.451 115 1HG PRO 20 1HG PRO 20 -11.604 1.829 12.656 116 2HG PRO 20 2HG PRO 20 -10.408 3.116 12.401 117 1HD PRO 20 1HD PRO 20 -9.991 0.293 13.295 118 2HD PRO 20 2HD PRO 20 -9.013 1.287 12.192 119 H ASP 21 H ASP 21 -10.190 0.586 16.133 120 HA ASP 21 HA ASP 21 -9.082 0.939 18.695 121 1HB ASP 21 1HB ASP 21 -11.086 1.080 20.062 122 2HB ASP 21 2HB ASP 21 -11.071 2.450 18.966 123 H LEU 22 H LEU 22 -10.606 -0.826 20.133 124 HA LEU 22 HA LEU 22 -9.531 -3.195 19.027 125 1HB LEU 22 1HB LEU 22 -11.211 -2.807 21.469 126 2HB LEU 22 2HB LEU 22 -10.349 -4.278 21.044 127 HG LEU 22 HG LEU 22 -9.146 -1.606 21.736 128 1HD1 LEU 22 1HD1 LEU 22 -9.900 -2.909 23.621 129 2HD1 LEU 22 2HD1 LEU 22 -8.125 -2.878 23.560 130 3HD1 LEU 22 3HD1 LEU 22 -9.016 -4.306 23.006 131 1HD2 LEU 22 1HD2 LEU 22 -7.943 -2.560 19.937 132 2HD2 LEU 22 2HD2 LEU 22 -7.799 -4.119 20.731 133 3HD2 LEU 22 3HD2 LEU 22 -6.932 -2.702 21.361 134 H ARG 23 H ARG 23 -12.584 -1.769 18.750 135 HA ARG 23 HA ARG 23 -14.185 -4.083 18.282 136 1HB ARG 23 1HB ARG 23 -14.445 -1.270 17.230 137 2HB ARG 23 2HB ARG 23 -15.591 -2.533 16.836 138 1HG ARG 23 1HG ARG 23 -14.987 -1.475 19.586 139 2HG ARG 23 2HG ARG 23 -16.411 -1.104 18.611 140 1HD ARG 23 1HD ARG 23 -16.861 -3.596 18.579 141 2HD ARG 23 2HD ARG 23 -15.625 -3.733 19.829 142 HE ARG 23 HE ARG 23 -18.070 -2.132 20.069 143 1HH1 ARG 23 1HH1 ARG 23 -15.472 -4.010 21.640 144 2HH1 ARG 23 2HH1 ARG 23 -16.374 -4.312 23.040 145 1HH2 ARG 23 1HH2 ARG 23 -19.253 -2.541 22.080 146 2HH2 ARG 23 2HH2 ARG 23 -18.503 -3.404 23.345 147 H TYR 24 H TYR 24 -11.760 -2.571 16.477 148 HA TYR 24 HA TYR 24 -12.533 -3.962 14.025 149 1HB TYR 24 1HB TYR 24 -10.688 -1.606 14.514 150 2HB TYR 24 2HB TYR 24 -10.842 -2.420 12.964 151 HD1 TYR 24 HD1 TYR 24 -12.758 -0.482 15.503 152 HD2 TYR 24 HD2 TYR 24 -12.525 -1.789 11.464 153 HE1 TYR 24 HE1 TYR 24 -14.624 1.008 14.918 154 HE2 TYR 24 HE2 TYR 24 -14.372 -0.308 10.865 155 HH TYR 24 HH TYR 24 -15.480 2.122 12.967 156 H GLN 25 H GLN 25 -11.482 -5.820 13.890 157 HA GLN 25 HA GLN 25 -9.013 -6.099 15.412 158 1HB GLN 25 1HB GLN 25 -9.236 -8.528 14.928 159 2HB GLN 25 2HB GLN 25 -10.598 -7.860 15.817 160 1HG GLN 25 1HG GLN 25 -11.866 -7.713 13.758 161 2HG GLN 25 2HG GLN 25 -10.509 -8.411 12.876 162 1HE2 GLN 25 1HE2 GLN 25 -9.851 -10.289 15.045 163 2HE2 GLN 25 2HE2 GLN 25 -11.083 -11.502 14.987 164 H LEU 26 H LEU 26 -7.291 -7.353 14.365 165 HA LEU 26 HA LEU 26 -6.140 -5.815 12.335 166 1HB LEU 26 1HB LEU 26 -5.381 -8.696 12.756 167 2HB LEU 26 2HB LEU 26 -4.353 -7.363 12.310 168 HG LEU 26 HG LEU 26 -3.634 -7.853 14.414 169 1HD1 LEU 26 1HD1 LEU 26 -5.668 -5.755 14.948 170 2HD1 LEU 26 2HD1 LEU 26 -4.000 -5.528 14.403 171 3HD1 LEU 26 3HD1 LEU 26 -4.332 -6.182 16.016 172 1HD2 LEU 26 1HD2 LEU 26 -5.055 -8.403 16.375 173 2HD2 LEU 26 2HD2 LEU 26 -5.185 -9.557 15.057 174 3HD2 LEU 26 3HD2 LEU 26 -6.477 -8.404 15.331 175 H GLY 27 H GLY 27 -7.410 -9.124 12.036 176 1HA GLY 27 1HA GLY 27 -8.737 -9.821 10.210 177 2HA GLY 27 2HA GLY 27 -8.116 -8.471 9.275 178 H PHE 28 H PHE 28 -5.875 -10.434 11.071 179 HA PHE 28 HA PHE 28 -5.420 -12.140 8.808 180 1HB PHE 28 1HB PHE 28 -3.050 -11.641 8.532 181 2HB PHE 28 2HB PHE 28 -3.947 -10.162 8.316 182 HD1 PHE 28 HD1 PHE 28 -3.688 -8.326 9.878 183 HD2 PHE 28 HD2 PHE 28 -1.614 -11.987 10.493 184 HE1 PHE 28 HE1 PHE 28 -2.224 -7.220 11.514 185 HE2 PHE 28 HE2 PHE 28 -0.159 -10.894 12.140 186 HZ PHE 28 HZ PHE 28 -0.462 -8.502 12.651 187 H SER 29 H SER 29 -4.031 -13.898 9.317 188 HA SER 29 HA SER 29 -4.104 -14.541 12.191 189 1HB SER 29 1HB SER 29 -4.011 -16.380 9.801 190 2HB SER 29 2HB SER 29 -4.264 -16.859 11.487 191 HG SER 29 HG SER 29 -6.004 -14.940 10.760 192 H VAL 30 H VAL 30 -2.198 -15.213 13.171 193 HA VAL 30 HA VAL 30 0.163 -15.241 11.457 194 HB VAL 30 HB VAL 30 -0.482 -13.090 13.000 195 1HG1 VAL 30 1HG1 VAL 30 1.429 -14.620 14.705 196 2HG1 VAL 30 2HG1 VAL 30 -0.243 -14.212 15.119 197 3HG1 VAL 30 3HG1 VAL 30 0.966 -12.930 14.931 198 1HG2 VAL 30 1HG2 VAL 30 1.174 -13.050 11.307 199 2HG2 VAL 30 2HG2 VAL 30 2.273 -14.014 12.296 200 3HG2 VAL 30 3HG2 VAL 30 1.847 -12.371 12.789 201 H GLN 31 H GLN 31 1.630 -16.754 11.927 202 HA GLN 31 HA GLN 31 1.418 -18.156 14.453 203 1HB GLN 31 1HB GLN 31 1.985 -20.316 13.174 204 2HB GLN 31 2HB GLN 31 0.351 -19.705 13.014 205 1HG GLN 31 1HG GLN 31 0.885 -20.333 10.837 206 2HG GLN 31 2HG GLN 31 1.197 -18.598 10.875 207 1HE2 GLN 31 1HE2 GLN 31 3.256 -21.128 12.162 208 2HE2 GLN 31 2HE2 GLN 31 4.591 -20.790 11.116 209 H ASN 32 H ASN 32 3.185 -18.301 15.513 210 HA ASN 32 HA ASN 32 5.270 -17.760 16.267 211 1HB ASN 32 1HB ASN 32 6.162 -18.517 13.471 212 2HB ASN 32 2HB ASN 32 7.257 -18.211 14.806 213 1HD2 ASN 32 1HD2 ASN 32 5.276 -20.417 13.225 214 2HD2 ASN 32 2HD2 ASN 32 5.519 -21.778 14.249 215 H GLY 33 H GLY 33 3.689 -15.822 14.357 216 1HA GLY 33 1HA GLY 33 4.081 -13.448 14.367 217 2HA GLY 33 2HA GLY 33 5.812 -13.787 14.335 218 H ILE 34 H ILE 34 4.430 -15.984 12.347 219 HA ILE 34 HA ILE 34 4.937 -14.325 9.999 220 HB ILE 34 HB ILE 34 4.937 -17.372 10.221 221 1HG1 ILE 34 1HG1 ILE 34 7.346 -17.126 9.403 222 2HG1 ILE 34 2HG1 ILE 34 7.200 -15.413 9.737 223 1HG2 ILE 34 1HG2 ILE 34 5.413 -15.634 7.820 224 2HG2 ILE 34 2HG2 ILE 34 4.028 -16.690 8.085 225 3HG2 ILE 34 3HG2 ILE 34 5.639 -17.384 7.855 226 1HD1 ILE 34 1HD1 ILE 34 7.016 -17.647 11.739 227 2HD1 ILE 34 2HD1 ILE 34 6.838 -15.930 12.107 228 3HD1 ILE 34 3HD1 ILE 34 8.379 -16.552 11.513 229 H ILE 35 H ILE 35 3.397 -13.746 8.845 230 HA ILE 35 HA ILE 35 0.692 -14.168 9.475 231 HB ILE 35 HB ILE 35 1.965 -12.993 6.998 232 1HG1 ILE 35 1HG1 ILE 35 0.992 -11.653 9.526 233 2HG1 ILE 35 2HG1 ILE 35 2.669 -12.062 9.224 234 1HG2 ILE 35 1HG2 ILE 35 -0.840 -12.687 8.122 235 2HG2 ILE 35 2HG2 ILE 35 -0.385 -13.534 6.637 236 3HG2 ILE 35 3HG2 ILE 35 -0.179 -11.795 6.742 237 1HD1 ILE 35 1HD1 ILE 35 0.941 -10.173 7.737 238 2HD1 ILE 35 2HD1 ILE 35 2.593 -10.585 7.248 239 3HD1 ILE 35 3HD1 ILE 35 2.298 -9.747 8.782 240 H CYS 36 H CYS 36 -0.481 -15.863 9.015 241 HA CYS 36 HA CYS 36 0.375 -17.728 6.921 242 1HB CYS 36 1HB CYS 36 0.214 -18.599 9.196 243 2HB CYS 36 2HB CYS 36 -1.483 -18.141 9.267 244 HG CYS 36 HG CYS 36 -0.170 -20.384 7.093 245 H SER 37 H SER 37 -2.313 -15.634 7.819 246 HA SER 37 HA SER 37 -3.512 -16.158 5.272 247 1HB SER 37 1HB SER 37 -4.456 -17.968 6.760 248 2HB SER 37 2HB SER 37 -5.145 -16.691 7.770 249 HG SER 37 HG SER 37 -6.074 -17.761 5.516 250 H LEU 38 H LEU 38 -5.214 -14.641 4.821 251 HA LEU 38 HA LEU 38 -5.253 -12.266 6.521 252 1HB LEU 38 1HB LEU 38 -3.574 -11.897 4.811 253 2HB LEU 38 2HB LEU 38 -4.685 -12.410 3.564 254 HG LEU 38 HG LEU 38 -6.035 -10.381 3.925 255 1HD1 LEU 38 1HD1 LEU 38 -3.919 -9.695 5.949 256 2HD1 LEU 38 2HD1 LEU 38 -5.617 -10.044 6.293 257 3HD1 LEU 38 3HD1 LEU 38 -5.173 -8.608 5.377 258 1HD2 LEU 38 1HD2 LEU 38 -4.202 -10.331 2.322 259 2HD2 LEU 38 2HD2 LEU 38 -3.116 -9.811 3.626 260 3HD2 LEU 38 3HD2 LEU 38 -4.435 -8.766 3.113 261 H MET 39 H MET 39 -7.240 -11.270 6.580 262 HA MET 39 HA MET 39 -9.450 -12.573 5.219 263 1HB MET 39 1HB MET 39 -9.647 -12.096 7.634 264 2HB MET 39 2HB MET 39 -9.373 -10.390 7.320 265 1HG MET 39 1HG MET 39 -11.722 -10.793 7.706 266 2HG MET 39 2HG MET 39 -11.464 -10.304 6.032 267 1HE MET 39 1HE MET 39 -14.169 -11.632 7.047 268 2HE MET 39 2HE MET 39 -14.488 -12.757 5.728 269 3HE MET 39 3HE MET 39 -13.875 -11.141 5.381 270 H ARG 40 H ARG 40 -10.395 -11.711 3.477 271 HA ARG 40 HA ARG 40 -9.265 -9.394 2.245 272 1HB ARG 40 1HB ARG 40 -10.097 -11.494 1.085 273 2HB ARG 40 2HB ARG 40 -11.721 -10.926 1.457 274 1HG ARG 40 1HG ARG 40 -11.326 -10.270 -0.755 275 2HG ARG 40 2HG ARG 40 -11.110 -8.811 0.219 276 1HD ARG 40 1HD ARG 40 -8.630 -9.364 0.229 277 2HD ARG 40 2HD ARG 40 -8.996 -10.558 -1.016 278 HE ARG 40 HE ARG 40 -9.314 -7.676 -1.201 279 1HH1 ARG 40 1HH1 ARG 40 -9.089 -10.808 -2.860 280 2HH1 ARG 40 2HH1 ARG 40 -9.059 -10.134 -4.427 281 1HH2 ARG 40 1HH2 ARG 40 -9.155 -6.771 -3.335 282 2HH2 ARG 40 2HH2 ARG 40 -9.006 -7.788 -4.707 283 H GLY 41 H GLY 41 -10.153 -7.365 2.145 284 1HA GLY 41 1HA GLY 41 -11.764 -5.709 2.350 285 2HA GLY 41 2HA GLY 41 -12.885 -6.909 2.977 286 H GLY 42 H GLY 42 -10.097 -7.314 4.612 287 1HA GLY 42 1HA GLY 42 -11.185 -5.870 6.913 288 2HA GLY 42 2HA GLY 42 -9.943 -7.119 6.967 289 H ILE 43 H ILE 43 -9.562 -4.793 8.348 290 HA ILE 43 HA ILE 43 -8.239 -2.820 6.937 291 HB ILE 43 HB ILE 43 -6.887 -2.532 9.194 292 1HG1 ILE 43 1HG1 ILE 43 -9.317 -4.065 10.109 293 2HG1 ILE 43 2HG1 ILE 43 -7.650 -4.613 10.214 294 1HG2 ILE 43 1HG2 ILE 43 -8.691 -1.101 10.024 295 2HG2 ILE 43 2HG2 ILE 43 -9.785 -1.797 8.821 296 3HG2 ILE 43 3HG2 ILE 43 -8.353 -0.888 8.312 297 1HD1 ILE 43 1HD1 ILE 43 -8.812 -2.216 11.633 298 2HD1 ILE 43 2HD1 ILE 43 -7.140 -2.771 11.745 299 3HD1 ILE 43 3HD1 ILE 43 -8.450 -3.782 12.360 300 H ALA 44 H ALA 44 -6.939 -5.849 8.097 301 HA ALA 44 HA ALA 44 -4.235 -5.262 7.782 302 1HB ALA 44 1HB ALA 44 -3.899 -7.657 7.734 303 2HB ALA 44 2HB ALA 44 -5.610 -7.891 7.379 304 3HB ALA 44 3HB ALA 44 -5.122 -7.216 8.931 305 H GLU 45 H GLU 45 -6.582 -6.287 5.392 306 HA GLU 45 HA GLU 45 -4.832 -6.844 3.244 307 1HB GLU 45 1HB GLU 45 -7.251 -7.366 3.235 308 2HB GLU 45 2HB GLU 45 -7.607 -5.646 3.165 309 1HG GLU 45 1HG GLU 45 -6.083 -5.721 1.049 310 2HG GLU 45 2HG GLU 45 -6.505 -7.435 1.060 311 H ARG 46 H ARG 46 -6.521 -4.013 4.250 312 HA ARG 46 HA ARG 46 -5.463 -2.326 2.168 313 1HB ARG 46 1HB ARG 46 -7.091 -1.640 4.615 314 2HB ARG 46 2HB ARG 46 -6.737 -0.535 3.287 315 1HG ARG 46 1HG ARG 46 -7.930 -1.928 1.734 316 2HG ARG 46 2HG ARG 46 -8.184 -3.153 2.973 317 1HD ARG 46 1HD ARG 46 -9.534 -1.543 4.240 318 2HD ARG 46 2HD ARG 46 -9.308 -0.359 2.947 319 HE ARG 46 HE ARG 46 -10.281 -2.357 1.549 320 1HH1 ARG 46 1HH1 ARG 46 -11.460 -1.114 4.673 321 2HH1 ARG 46 2HH1 ARG 46 -13.054 -1.652 4.413 322 1HH2 ARG 46 1HH2 ARG 46 -12.458 -3.051 1.216 323 2HH2 ARG 46 2HH2 ARG 46 -13.635 -2.777 2.407 324 H GLY 47 H GLY 47 -4.483 -3.256 5.254 325 1HA GLY 47 1HA GLY 47 -2.764 -1.057 5.824 326 2HA GLY 47 2HA GLY 47 -2.800 -2.599 6.657 327 H GLY 48 H GLY 48 -2.569 -3.890 3.908 328 1HA GLY 48 1HA GLY 48 -0.894 -4.041 2.212 329 2HA GLY 48 2HA GLY 48 0.223 -3.216 3.291 330 H VAL 49 H VAL 49 -1.730 -5.642 4.713 331 HA VAL 49 HA VAL 49 0.542 -7.136 5.448 332 HB VAL 49 HB VAL 49 -2.408 -7.520 5.783 333 1HG1 VAL 49 1HG1 VAL 49 -1.570 -9.772 5.783 334 2HG1 VAL 49 2HG1 VAL 49 -1.680 -9.324 7.509 335 3HG1 VAL 49 3HG1 VAL 49 -0.142 -9.224 6.633 336 1HG2 VAL 49 1HG2 VAL 49 -1.455 -5.768 7.099 337 2HG2 VAL 49 2HG2 VAL 49 -0.232 -6.884 7.738 338 3HG2 VAL 49 3HG2 VAL 49 -1.928 -7.105 8.150 339 H ARG 50 H ARG 50 1.356 -8.936 4.620 340 HA ARG 50 HA ARG 50 -0.077 -10.350 2.507 341 1HB ARG 50 1HB ARG 50 2.802 -9.434 2.405 342 2HB ARG 50 2HB ARG 50 2.088 -10.603 1.302 343 1HG ARG 50 1HG ARG 50 1.014 -7.865 1.683 344 2HG ARG 50 2HG ARG 50 2.253 -8.237 0.452 345 1HD ARG 50 1HD ARG 50 0.710 -9.763 -0.613 346 2HD ARG 50 2HD ARG 50 -0.473 -9.535 0.673 347 HE ARG 50 HE ARG 50 -0.278 -7.070 -0.162 348 1HH1 ARG 50 1HH1 ARG 50 -0.456 -9.991 -2.154 349 2HH1 ARG 50 2HH1 ARG 50 -1.235 -9.211 -3.459 350 1HH2 ARG 50 1HH2 ARG 50 -1.426 -6.068 -1.832 351 2HH2 ARG 50 2HH2 ARG 50 -1.889 -6.925 -3.252 352 H VAL 51 H VAL 51 0.093 -12.301 2.521 353 HA VAL 51 HA VAL 51 0.861 -13.637 4.927 354 HB VAL 51 HB VAL 51 -0.291 -14.501 2.306 355 1HG1 VAL 51 1HG1 VAL 51 0.961 -16.421 3.187 356 2HG1 VAL 51 2HG1 VAL 51 -0.776 -16.719 3.319 357 3HG1 VAL 51 3HG1 VAL 51 0.154 -16.243 4.745 358 1HG2 VAL 51 1HG2 VAL 51 -1.740 -13.202 3.694 359 2HG2 VAL 51 2HG2 VAL 51 -1.482 -14.309 5.048 360 3HG2 VAL 51 3HG2 VAL 51 -2.323 -14.862 3.600 361 H GLY 52 H GLY 52 2.436 -15.262 5.170 362 1HA GLY 52 1HA GLY 52 4.370 -16.458 4.615 363 2HA GLY 52 2HA GLY 52 4.344 -15.707 3.019 364 H HIS 53 H HIS 53 3.953 -13.773 5.770 365 HA HIS 53 HA HIS 53 6.696 -12.803 5.492 366 1HB HIS 53 1HB HIS 53 4.153 -11.216 5.711 367 2HB HIS 53 2HB HIS 53 5.704 -10.563 6.221 368 HD1 HIS 53 HD1 HIS 53 6.786 -9.194 4.480 369 HD2 HIS 53 HD2 HIS 53 4.440 -12.200 2.832 370 HE1 HIS 53 HE1 HIS 53 6.932 -8.877 2.009 371 HE2 HIS 53 HE2 HIS 53 5.292 -10.515 1.063 372 H ARG 54 H ARG 54 7.788 -12.313 7.242 373 HA ARG 54 HA ARG 54 6.760 -13.275 9.825 374 1HB ARG 54 1HB ARG 54 8.949 -14.087 9.085 375 2HB ARG 54 2HB ARG 54 9.564 -12.429 8.991 376 1HG ARG 54 1HG ARG 54 8.863 -12.364 11.485 377 2HG ARG 54 2HG ARG 54 8.916 -14.128 11.378 378 1HD ARG 54 1HD ARG 54 11.142 -12.136 10.960 379 2HD ARG 54 2HD ARG 54 11.028 -13.366 12.206 380 HE ARG 54 HE ARG 54 11.575 -13.847 9.347 381 1HH1 ARG 54 1HH1 ARG 54 11.760 -14.980 12.720 382 2HH1 ARG 54 2HH1 ARG 54 13.070 -16.015 12.429 383 1HH2 ARG 54 1HH2 ARG 54 13.382 -15.401 8.955 384 2HH2 ARG 54 2HH2 ARG 54 13.914 -16.315 10.274 385 H ILE 55 H ILE 55 5.932 -11.740 11.131 386 HA ILE 55 HA ILE 55 6.474 -8.978 10.684 387 HB ILE 55 HB ILE 55 5.118 -10.319 13.025 388 1HG1 ILE 55 1HG1 ILE 55 3.988 -9.083 10.505 389 2HG1 ILE 55 2HG1 ILE 55 3.927 -10.781 10.980 390 1HG2 ILE 55 1HG2 ILE 55 5.936 -8.089 13.585 391 2HG2 ILE 55 2HG2 ILE 55 4.176 -8.081 13.458 392 3HG2 ILE 55 3HG2 ILE 55 5.160 -7.433 12.145 393 1HD1 ILE 55 1HD1 ILE 55 2.697 -8.496 12.387 394 2HD1 ILE 55 2HD1 ILE 55 2.557 -10.203 12.854 395 3HD1 ILE 55 3HD1 ILE 55 1.833 -9.621 11.328 396 H ILE 56 H ILE 56 8.139 -7.928 11.394 397 HA ILE 56 HA ILE 56 9.676 -9.101 13.520 398 HB ILE 56 HB ILE 56 11.576 -7.838 12.811 399 1HG1 ILE 56 1HG1 ILE 56 9.871 -6.761 10.563 400 2HG1 ILE 56 2HG1 ILE 56 10.298 -5.848 12.015 401 1HG2 ILE 56 1HG2 ILE 56 10.216 -9.219 10.498 402 2HG2 ILE 56 2HG2 ILE 56 11.193 -9.993 11.741 403 3HG2 ILE 56 3HG2 ILE 56 11.942 -8.868 10.610 404 1HD1 ILE 56 1HD1 ILE 56 12.163 -7.004 10.009 405 2HD1 ILE 56 2HD1 ILE 56 12.606 -6.164 11.498 406 3HD1 ILE 56 3HD1 ILE 56 11.758 -5.274 10.199 407 H GLU 57 H GLU 57 7.482 -6.643 13.025 408 HA GLU 57 HA GLU 57 8.091 -5.477 15.568 409 1HB GLU 57 1HB GLU 57 9.823 -4.400 14.207 410 2HB GLU 57 2HB GLU 57 8.587 -3.856 13.078 411 1HG GLU 57 1HG GLU 57 7.728 -2.335 14.640 412 2HG GLU 57 2HG GLU 57 8.652 -3.061 15.958 413 H ILE 58 H ILE 58 6.447 -4.368 16.363 414 HA ILE 58 HA ILE 58 4.115 -3.866 14.644 415 HB ILE 58 HB ILE 58 4.142 -5.127 17.389 416 1HG1 ILE 58 1HG1 ILE 58 2.972 -6.289 14.871 417 2HG1 ILE 58 2HG1 ILE 58 4.643 -6.580 15.353 418 1HG2 ILE 58 1HG2 ILE 58 1.796 -4.331 15.633 419 2HG2 ILE 58 2HG2 ILE 58 2.276 -3.505 17.100 420 3HG2 ILE 58 3HG2 ILE 58 1.659 -5.161 17.188 421 1HD1 ILE 58 1HD1 ILE 58 2.204 -7.264 16.973 422 2HD1 ILE 58 2HD1 ILE 58 3.908 -7.572 17.380 423 3HD1 ILE 58 3HD1 ILE 58 3.179 -8.384 16.004 424 H ASN 59 H ASN 59 3.715 -1.805 14.790 425 HA ASN 59 HA ASN 59 3.023 0.182 15.625 426 1HB ASN 59 1HB ASN 59 2.052 -1.193 17.522 427 2HB ASN 59 2HB ASN 59 3.529 -0.869 18.418 428 1HD2 ASN 59 1HD2 ASN 59 0.577 0.368 17.248 429 2HD2 ASN 59 2HD2 ASN 59 0.595 1.889 18.064 430 H GLY 60 H GLY 60 6.024 -1.127 16.412 431 1HA GLY 60 1HA GLY 60 7.801 0.711 15.916 432 2HA GLY 60 2HA GLY 60 7.121 1.403 17.386 433 H GLN 61 H GLN 61 6.727 -1.744 17.940 434 HA GLN 61 HA GLN 61 9.345 -2.004 19.234 435 1HB GLN 61 1HB GLN 61 8.247 -3.361 20.931 436 2HB GLN 61 2HB GLN 61 7.481 -1.788 20.837 437 1HG GLN 61 1HG GLN 61 5.687 -2.842 19.449 438 2HG GLN 61 2HG GLN 61 6.432 -4.405 19.784 439 1HE2 GLN 61 1HE2 GLN 61 6.388 -5.180 21.927 440 2HE2 GLN 61 2HE2 GLN 61 5.230 -4.588 23.056 441 H SER 62 H SER 62 10.632 -3.446 18.544 442 HA SER 62 HA SER 62 9.882 -5.176 16.448 443 1HB SER 62 1HB SER 62 12.360 -5.302 18.166 444 2HB SER 62 2HB SER 62 12.150 -5.947 16.534 445 HG SER 62 HG SER 62 11.538 -3.469 16.230 446 H VAL 63 H VAL 63 8.670 -6.956 16.708 447 HA VAL 63 HA VAL 63 8.673 -8.315 19.285 448 HB VAL 63 HB VAL 63 6.490 -9.118 18.573 449 1HG1 VAL 63 1HG1 VAL 63 6.829 -6.113 18.318 450 2HG1 VAL 63 2HG1 VAL 63 6.633 -7.005 19.808 451 3HG1 VAL 63 3HG1 VAL 63 5.300 -6.927 18.659 452 1HG2 VAL 63 1HG2 VAL 63 6.990 -9.162 16.140 453 2HG2 VAL 63 2HG2 VAL 63 6.897 -7.397 16.112 454 3HG2 VAL 63 3HG2 VAL 63 5.468 -8.349 16.499 455 H VAL 64 H VAL 64 10.444 -8.435 16.854 456 HA VAL 64 HA VAL 64 10.056 -11.015 15.737 457 HB VAL 64 HB VAL 64 11.314 -8.978 14.811 458 1HG1 VAL 64 1HG1 VAL 64 13.545 -10.171 16.372 459 2HG1 VAL 64 2HG1 VAL 64 12.831 -8.572 16.572 460 3HG1 VAL 64 3HG1 VAL 64 13.728 -8.962 15.094 461 1HG2 VAL 64 1HG2 VAL 64 11.067 -10.929 13.618 462 2HG2 VAL 64 2HG2 VAL 64 12.361 -11.770 14.504 463 3HG2 VAL 64 3HG2 VAL 64 12.737 -10.405 13.417 464 H ALA 65 H ALA 65 11.366 -9.902 18.629 465 HA ALA 65 HA ALA 65 12.636 -12.488 19.196 466 1HB ALA 65 1HB ALA 65 13.837 -11.266 20.961 467 2HB ALA 65 2HB ALA 65 12.974 -9.793 20.492 468 3HB ALA 65 3HB ALA 65 14.095 -10.554 19.360 469 H THR 66 H THR 66 9.722 -11.305 19.338 470 HA THR 66 HA THR 66 9.129 -11.779 22.112 471 HB THR 66 HB THR 66 7.620 -10.528 19.784 472 HG1 THR 66 HG1 THR 66 9.556 -9.530 21.195 473 1HG2 THR 66 1HG2 THR 66 6.063 -9.719 21.436 474 2HG2 THR 66 2HG2 THR 66 6.943 -10.569 22.715 475 3HG2 THR 66 3HG2 THR 66 6.108 -11.478 21.449 476 HA PRO 67 HA PRO 67 7.572 -15.761 20.601 477 1HB PRO 67 1HB PRO 67 6.215 -16.549 22.786 478 2HB PRO 67 2HB PRO 67 7.984 -16.490 22.767 479 1HG PRO 67 1HG PRO 67 6.039 -14.486 23.859 480 2HG PRO 67 2HG PRO 67 7.506 -15.137 24.614 481 1HD PRO 67 1HD PRO 67 7.462 -12.736 23.384 482 2HD PRO 67 2HD PRO 67 8.897 -13.777 23.376 483 H HIS 68 H HIS 68 5.486 -16.926 20.337 484 HA HIS 68 HA HIS 68 3.532 -15.641 18.881 485 1HB HIS 68 1HB HIS 68 3.646 -18.052 18.824 486 2HB HIS 68 2HB HIS 68 3.335 -18.174 20.544 487 HD1 HIS 68 HD1 HIS 68 1.644 -18.666 17.386 488 HD2 HIS 68 HD2 HIS 68 0.459 -17.318 21.140 489 HE1 HIS 68 HE1 HIS 68 -0.833 -18.795 17.402 490 HE2 HIS 68 HE2 HIS 68 -1.511 -18.194 19.735 491 H GLU 69 H GLU 69 3.293 -16.524 22.271 492 HA GLU 69 HA GLU 69 0.682 -15.704 22.779 493 1HB GLU 69 1HB GLU 69 2.283 -17.113 24.127 494 2HB GLU 69 2HB GLU 69 2.967 -15.571 24.647 495 1HG GLU 69 1HG GLU 69 0.821 -14.947 25.638 496 2HG GLU 69 2HG GLU 69 0.143 -16.502 25.143 497 H LYS 70 H LYS 70 3.740 -13.955 23.108 498 HA LYS 70 HA LYS 70 2.438 -11.678 24.141 499 1HB LYS 70 1HB LYS 70 5.227 -12.285 23.471 500 2HB LYS 70 2HB LYS 70 4.745 -10.612 23.473 501 1HG LYS 70 1HG LYS 70 3.823 -10.808 25.649 502 2HG LYS 70 2HG LYS 70 4.325 -12.514 25.771 503 1HD LYS 70 1HD LYS 70 5.885 -11.152 26.921 504 2HD LYS 70 2HD LYS 70 6.637 -11.693 25.405 505 1HE LYS 70 1HE LYS 70 6.110 -9.516 24.378 506 2HE LYS 70 2HE LYS 70 5.348 -8.996 25.878 507 1HZ LYS 70 1HZ LYS 70 8.170 -9.771 25.585 508 2HZ LYS 70 2HZ LYS 70 7.467 -9.115 26.971 509 3HZ LYS 70 3HZ LYS 70 7.631 -8.181 25.547 510 H ILE 71 H ILE 71 3.813 -12.463 21.002 511 HA ILE 71 HA ILE 71 3.336 -10.024 19.761 512 HB ILE 71 HB ILE 71 3.137 -12.798 18.511 513 1HG1 ILE 71 1HG1 ILE 71 5.425 -10.838 18.689 514 2HG1 ILE 71 2HG1 ILE 71 5.284 -12.349 19.573 515 1HG2 ILE 71 1HG2 ILE 71 3.576 -10.130 17.198 516 2HG2 ILE 71 2HG2 ILE 71 2.072 -11.064 17.110 517 3HG2 ILE 71 3HG2 ILE 71 3.559 -11.695 16.383 518 1HD1 ILE 71 1HD1 ILE 71 5.489 -12.092 16.590 519 2HD1 ILE 71 2HD1 ILE 71 5.448 -13.602 17.525 520 3HD1 ILE 71 3HD1 ILE 71 6.807 -12.473 17.696 521 H VAL 72 H VAL 72 1.179 -12.729 20.339 522 HA VAL 72 HA VAL 72 -1.037 -11.569 18.981 523 HB VAL 72 HB VAL 72 -0.860 -13.823 21.014 524 1HG1 VAL 72 1HG1 VAL 72 -3.317 -12.972 19.465 525 2HG1 VAL 72 2HG1 VAL 72 -3.078 -12.801 21.205 526 3HG1 VAL 72 3HG1 VAL 72 -3.150 -14.409 20.483 527 1HG2 VAL 72 1HG2 VAL 72 -1.373 -13.797 18.048 528 2HG2 VAL 72 2HG2 VAL 72 -1.359 -15.235 19.075 529 3HG2 VAL 72 3HG2 VAL 72 0.119 -14.294 18.852 530 H HIS 73 H HIS 73 0.164 -11.451 22.264 531 HA HIS 73 HA HIS 73 -2.120 -10.341 23.562 532 1HB HIS 73 1HB HIS 73 -0.108 -11.451 24.676 533 2HB HIS 73 2HB HIS 73 0.800 -9.996 24.333 534 HD1 HIS 73 HD1 HIS 73 -1.202 -11.574 26.831 535 HD2 HIS 73 HD2 HIS 73 -0.365 -7.638 25.804 536 HE1 HIS 73 HE1 HIS 73 -1.799 -10.200 28.861 537 HE2 HIS 73 HE2 HIS 73 -1.421 -7.821 28.178 538 H ILE 74 H ILE 74 0.694 -9.017 21.983 539 HA ILE 74 HA ILE 74 0.232 -6.343 22.617 540 HB ILE 74 HB ILE 74 1.990 -7.732 20.600 541 1HG1 ILE 74 1HG1 ILE 74 2.854 -6.255 23.047 542 2HG1 ILE 74 2HG1 ILE 74 2.137 -7.851 23.218 543 1HG2 ILE 74 1HG2 ILE 74 3.171 -5.602 20.376 544 2HG2 ILE 74 2HG2 ILE 74 1.962 -4.819 21.401 545 3HG2 ILE 74 3HG2 ILE 74 1.500 -5.459 19.819 546 1HD1 ILE 74 1HD1 ILE 74 3.770 -8.744 21.738 547 2HD1 ILE 74 2HD1 ILE 74 4.478 -8.046 23.186 548 3HD1 ILE 74 3HD1 ILE 74 4.588 -7.170 21.617 549 H LEU 75 H LEU 75 -0.209 -8.203 19.566 550 HA LEU 75 HA LEU 75 -1.364 -6.176 18.007 551 1HB LEU 75 1HB LEU 75 -1.793 -9.152 17.945 552 2HB LEU 75 2HB LEU 75 -2.526 -8.072 16.784 553 HG LEU 75 HG LEU 75 0.433 -8.416 17.191 554 1HD1 LEU 75 1HD1 LEU 75 -0.592 -10.419 16.262 555 2HD1 LEU 75 2HD1 LEU 75 0.367 -9.582 15.040 556 3HD1 LEU 75 3HD1 LEU 75 -1.390 -9.447 15.022 557 1HD2 LEU 75 1HD2 LEU 75 -0.188 -6.161 16.359 558 2HD2 LEU 75 2HD2 LEU 75 -1.136 -6.909 15.081 559 3HD2 LEU 75 3HD2 LEU 75 0.613 -7.107 15.108 560 H SER 76 H SER 76 -2.895 -8.430 20.185 561 HA SER 76 HA SER 76 -5.560 -7.866 19.568 562 1HB SER 76 1HB SER 76 -4.674 -9.856 20.834 563 2HB SER 76 2HB SER 76 -4.482 -8.808 22.234 564 HG SER 76 HG SER 76 -6.732 -9.885 21.070 565 H ASN 77 H ASN 77 -3.290 -6.118 21.596 566 HA ASN 77 HA ASN 77 -5.509 -4.527 22.692 567 1HB ASN 77 1HB ASN 77 -2.698 -4.923 23.697 568 2HB ASN 77 2HB ASN 77 -3.731 -3.636 24.292 569 1HD2 ASN 77 1HD2 ASN 77 -3.144 -7.046 24.228 570 2HD2 ASN 77 2HD2 ASN 77 -4.230 -7.491 25.481 571 H ALA 78 H ALA 78 -3.092 -4.366 20.356 572 HA ALA 78 HA ALA 78 -2.744 -1.542 20.746 573 1HB ALA 78 1HB ALA 78 -0.966 -1.639 19.063 574 2HB ALA 78 2HB ALA 78 -1.399 -3.304 18.685 575 3HB ALA 78 3HB ALA 78 -0.742 -2.904 20.270 576 H VAL 79 H VAL 79 -3.434 0.038 19.555 577 HA VAL 79 HA VAL 79 -4.842 -0.515 17.071 578 HB VAL 79 HB VAL 79 -6.878 0.477 17.658 579 1HG1 VAL 79 1HG1 VAL 79 -6.787 -1.444 18.783 580 2HG1 VAL 79 2HG1 VAL 79 -7.703 -0.241 19.699 581 3HG1 VAL 79 3HG1 VAL 79 -6.062 -0.675 20.189 582 1HG2 VAL 79 1HG2 VAL 79 -5.992 2.596 18.367 583 2HG2 VAL 79 2HG2 VAL 79 -5.637 1.923 19.980 584 3HG2 VAL 79 3HG2 VAL 79 -7.311 2.026 19.381 585 H GLY 80 H GLY 80 -5.382 1.878 16.122 586 1HA GLY 80 1HA GLY 80 -4.669 4.092 15.867 587 2HA GLY 80 2HA GLY 80 -3.211 3.706 16.784 588 H GLU 81 H GLU 81 -2.187 4.779 14.924 589 HA GLU 81 HA GLU 81 -1.997 3.285 12.491 590 1HB GLU 81 1HB GLU 81 -0.348 5.543 13.660 591 2HB GLU 81 2HB GLU 81 0.018 4.815 12.109 592 1HG GLU 81 1HG GLU 81 -1.150 6.913 11.823 593 2HG GLU 81 2HG GLU 81 -2.136 5.583 11.244 594 H ILE 82 H ILE 82 -1.115 1.367 12.573 595 HA ILE 82 HA ILE 82 1.000 0.887 14.561 596 HB ILE 82 HB ILE 82 -0.894 -1.066 13.201 597 1HG1 ILE 82 1HG1 ILE 82 -0.809 -0.165 16.092 598 2HG1 ILE 82 2HG1 ILE 82 -1.935 0.443 14.889 599 1HG2 ILE 82 1HG2 ILE 82 1.189 -1.578 15.333 600 2HG2 ILE 82 2HG2 ILE 82 1.218 -2.190 13.682 601 3HG2 ILE 82 3HG2 ILE 82 -0.014 -2.752 14.809 602 1HD1 ILE 82 1HD1 ILE 82 -2.919 -1.753 14.668 603 2HD1 ILE 82 2HD1 ILE 82 -2.946 -1.231 16.344 604 3HD1 ILE 82 3HD1 ILE 82 -1.748 -2.416 15.806 605 H HIS 83 H HIS 83 2.946 0.816 13.717 606 HA HIS 83 HA HIS 83 3.259 0.190 10.864 607 1HB HIS 83 1HB HIS 83 5.164 1.480 12.847 608 2HB HIS 83 2HB HIS 83 5.616 1.025 11.213 609 HD1 HIS 83 HD1 HIS 83 5.601 2.958 9.654 610 HD2 HIS 83 HD2 HIS 83 2.871 3.460 12.755 611 HE1 HIS 83 HE1 HIS 83 4.522 5.178 9.255 612 HE2 HIS 83 HE2 HIS 83 3.038 5.554 11.256 613 H MET 84 H MET 84 3.517 -1.713 10.529 614 HA MET 84 HA MET 84 4.788 -3.397 12.523 615 1HB MET 84 1HB MET 84 2.287 -3.432 11.547 616 2HB MET 84 2HB MET 84 3.147 -4.295 10.278 617 1HG MET 84 1HG MET 84 3.903 -5.913 11.812 618 2HG MET 84 2HG MET 84 3.139 -5.002 13.146 619 1HE MET 84 1HE MET 84 2.637 -6.791 9.849 620 2HE MET 84 2HE MET 84 1.643 -5.345 9.634 621 3HE MET 84 3HE MET 84 0.878 -6.950 9.673 622 H LYS 85 H LYS 85 6.509 -4.737 11.597 623 HA LYS 85 HA LYS 85 7.072 -4.043 8.824 624 1HB LYS 85 1HB LYS 85 9.144 -4.261 11.028 625 2HB LYS 85 2HB LYS 85 9.477 -4.039 9.315 626 1HG LYS 85 1HG LYS 85 7.741 -1.980 9.846 627 2HG LYS 85 2HG LYS 85 8.701 -2.077 11.323 628 1HD LYS 85 1HD LYS 85 9.946 -2.130 8.626 629 2HD LYS 85 2HD LYS 85 9.539 -0.599 9.390 630 1HE LYS 85 1HE LYS 85 11.302 -2.685 10.680 631 2HE LYS 85 2HE LYS 85 11.930 -1.364 9.699 632 1HZ LYS 85 1HZ LYS 85 12.048 -0.693 11.941 633 2HZ LYS 85 2HZ LYS 85 10.456 -1.101 12.296 634 3HZ LYS 85 3HZ LYS 85 10.788 0.182 11.266 635 H THR 86 H THR 86 7.469 -5.617 7.596 636 HA THR 86 HA THR 86 7.609 -8.237 8.903 637 HB THR 86 HB THR 86 6.082 -9.167 7.312 638 HG1 THR 86 HG1 THR 86 6.046 -6.547 6.166 639 1HG2 THR 86 1HG2 THR 86 5.060 -8.074 9.256 640 2HG2 THR 86 2HG2 THR 86 3.986 -8.007 7.856 641 3HG2 THR 86 3HG2 THR 86 4.892 -6.580 8.339 642 H MET 87 H MET 87 8.674 -9.851 7.700 643 HA MET 87 HA MET 87 10.269 -8.882 5.410 644 1HB MET 87 1HB MET 87 11.043 -10.957 7.492 645 2HB MET 87 2HB MET 87 12.026 -10.466 6.123 646 1HG MET 87 1HG MET 87 12.142 -8.197 7.092 647 2HG MET 87 2HG MET 87 11.264 -8.801 8.501 648 1HE MET 87 1HE MET 87 14.583 -8.868 6.446 649 2HE MET 87 2HE MET 87 14.121 -10.572 6.352 650 3HE MET 87 3HE MET 87 15.534 -10.091 7.286 651 HA PRO 88 HA PRO 88 8.442 -12.448 3.304 652 1HB PRO 88 1HB PRO 88 11.033 -13.394 2.277 653 2HB PRO 88 2HB PRO 88 9.666 -12.721 1.388 654 1HG PRO 88 1HG PRO 88 11.943 -11.337 1.662 655 2HG PRO 88 2HG PRO 88 10.364 -10.532 1.699 656 1HD PRO 88 1HD PRO 88 12.127 -11.339 3.990 657 2HD PRO 88 2HD PRO 88 11.299 -9.792 3.704 658 H ALA 89 H ALA 89 9.851 -12.828 5.936 659 HA ALA 89 HA ALA 89 10.000 -14.344 7.542 660 1HB ALA 89 1HB ALA 89 8.924 -16.499 7.396 661 2HB ALA 89 2HB ALA 89 8.860 -16.376 5.629 662 3HB ALA 89 3HB ALA 89 7.935 -15.254 6.634 663 H ALA 90 H ALA 90 11.944 -14.270 5.113 664 HA ALA 90 HA ALA 90 13.591 -16.520 5.896 665 1HB ALA 90 1HB ALA 90 13.455 -15.950 3.506 666 2HB ALA 90 2HB ALA 90 15.094 -15.719 4.107 667 3HB ALA 90 3HB ALA 90 14.041 -14.326 3.861 Start of MODEL 18 1 H GLU 7 1H GLU 7 18.530 0.101 11.927 2 HA GLU 7 HA GLU 7 15.911 0.536 10.617 3 1HB GLU 7 1HB GLU 7 17.772 1.781 9.518 4 2HB GLU 7 2HB GLU 7 18.701 0.297 9.436 5 1HG GLU 7 1HG GLU 7 16.830 -0.650 8.018 6 2HG GLU 7 2HG GLU 7 16.183 0.987 7.945 7 H THR 8 H THR 8 15.204 -1.358 9.462 8 HA THR 8 HA THR 8 16.541 -3.808 10.220 9 HB THR 8 HB THR 8 14.426 -4.775 9.157 10 HG1 THR 8 HG1 THR 8 13.835 -2.859 8.034 11 1HG2 THR 8 1HG2 THR 8 14.174 -2.967 11.563 12 2HG2 THR 8 2HG2 THR 8 14.767 -4.628 11.579 13 3HG2 THR 8 3HG2 THR 8 13.087 -4.294 11.159 14 H MET 9 H MET 9 17.797 -4.799 8.775 15 HA MET 9 HA MET 9 18.088 -3.549 6.183 16 1HB MET 9 1HB MET 9 19.782 -5.687 7.491 17 2HB MET 9 2HB MET 9 20.162 -4.828 6.012 18 1HG MET 9 1HG MET 9 21.502 -3.874 7.695 19 2HG MET 9 2HG MET 9 20.214 -2.715 7.392 20 1HE MET 9 1HE MET 9 20.895 -2.264 11.229 21 2HE MET 9 2HE MET 9 20.755 -1.452 9.666 22 3HE MET 9 3HE MET 9 22.077 -2.585 9.957 23 H GLY 10 H GLY 10 17.577 -4.501 4.324 24 1HA GLY 10 1HA GLY 10 17.701 -6.629 3.057 25 2HA GLY 10 2HA GLY 10 16.841 -7.358 4.407 26 H ASN 11 H ASN 11 15.153 -8.023 3.139 27 HA ASN 11 HA ASN 11 13.616 -6.017 1.717 28 1HB ASN 11 1HB ASN 11 13.405 -9.042 1.824 29 2HB ASN 11 2HB ASN 11 12.210 -8.024 1.025 30 1HD2 ASN 11 1HD2 ASN 11 12.711 -7.114 -0.927 31 2HD2 ASN 11 2HD2 ASN 11 14.125 -7.502 -1.839 32 H VAL 12 H VAL 12 12.517 -4.881 3.047 33 HA VAL 12 HA VAL 12 10.890 -6.194 5.036 34 HB VAL 12 HB VAL 12 12.625 -3.759 5.369 35 1HG1 VAL 12 1HG1 VAL 12 10.396 -4.768 7.142 36 2HG1 VAL 12 2HG1 VAL 12 10.423 -3.229 6.285 37 3HG1 VAL 12 3HG1 VAL 12 11.567 -3.533 7.615 38 1HG2 VAL 12 1HG2 VAL 12 13.685 -5.886 5.908 39 2HG2 VAL 12 2HG2 VAL 12 12.326 -6.210 7.023 40 3HG2 VAL 12 3HG2 VAL 12 13.417 -4.864 7.338 41 H THR 13 H THR 13 8.967 -5.612 4.910 42 HA THR 13 HA THR 13 8.150 -3.256 3.384 43 HB THR 13 HB THR 13 7.085 -6.012 3.710 44 HG1 THR 13 HG1 THR 13 8.293 -4.528 1.736 45 1HG2 THR 13 1HG2 THR 13 5.756 -3.680 2.311 46 2HG2 THR 13 2HG2 THR 13 5.222 -4.443 3.812 47 3HG2 THR 13 3HG2 THR 13 5.167 -5.351 2.293 48 H THR 14 H THR 14 7.542 -1.822 4.632 49 HA THR 14 HA THR 14 6.740 -2.328 7.318 50 HB THR 14 HB THR 14 6.541 0.186 5.782 51 HG1 THR 14 HG1 THR 14 8.647 -0.462 5.491 52 1HG2 THR 14 1HG2 THR 14 6.959 -0.468 8.711 53 2HG2 THR 14 2HG2 THR 14 5.529 0.240 7.976 54 3HG2 THR 14 3HG2 THR 14 7.027 1.175 8.063 55 H VAL 15 H VAL 15 4.746 -2.476 7.962 56 HA VAL 15 HA VAL 15 2.573 -1.986 6.069 57 HB VAL 15 HB VAL 15 2.864 -3.921 8.331 58 1HG1 VAL 15 1HG1 VAL 15 0.388 -3.281 6.699 59 2HG1 VAL 15 2HG1 VAL 15 0.631 -2.879 8.404 60 3HG1 VAL 15 3HG1 VAL 15 0.544 -4.571 7.898 61 1HG2 VAL 15 1HG2 VAL 15 2.230 -5.542 6.546 62 2HG2 VAL 15 2HG2 VAL 15 3.781 -4.676 6.274 63 3HG2 VAL 15 3HG2 VAL 15 2.308 -4.179 5.420 64 H LEU 16 H LEU 16 1.077 -0.579 6.658 65 HA LEU 16 HA LEU 16 1.136 0.207 9.435 66 1HB LEU 16 1HB LEU 16 1.804 2.011 7.883 67 2HB LEU 16 2HB LEU 16 0.216 1.882 7.127 68 HG LEU 16 HG LEU 16 -0.727 2.223 9.450 69 1HD1 LEU 16 1HD1 LEU 16 1.285 1.822 10.688 70 2HD1 LEU 16 2HD1 LEU 16 0.637 3.428 10.991 71 3HD1 LEU 16 3HD1 LEU 16 2.042 3.228 9.938 72 1HD2 LEU 16 1HD2 LEU 16 -0.833 3.822 7.707 73 2HD2 LEU 16 2HD2 LEU 16 0.777 4.435 8.163 74 3HD2 LEU 16 3HD2 LEU 16 -0.602 4.552 9.305 75 H ILE 17 H ILE 17 -0.439 -0.739 10.341 76 HA ILE 17 HA ILE 17 -2.961 -1.182 8.896 77 HB ILE 17 HB ILE 17 -1.431 -2.822 10.649 78 1HG1 ILE 17 1HG1 ILE 17 -2.986 -3.552 8.856 79 2HG1 ILE 17 2HG1 ILE 17 -3.172 -4.458 10.356 80 1HG2 ILE 17 1HG2 ILE 17 -2.801 -3.258 12.584 81 2HG2 ILE 17 2HG2 ILE 17 -4.006 -2.115 11.990 82 3HG2 ILE 17 3HG2 ILE 17 -2.451 -1.511 12.535 83 1HD1 ILE 17 1HD1 ILE 17 -4.954 -2.247 9.359 84 2HD1 ILE 17 2HD1 ILE 17 -5.122 -3.058 10.911 85 3HD1 ILE 17 3HD1 ILE 17 -5.337 -3.967 9.420 86 H ARG 18 H ARG 18 -4.706 -0.085 9.478 87 HA ARG 18 HA ARG 18 -4.373 1.652 11.757 88 1HB ARG 18 1HB ARG 18 -5.585 2.249 9.094 89 2HB ARG 18 2HB ARG 18 -6.061 3.163 10.529 90 1HG ARG 18 1HG ARG 18 -3.861 3.893 10.924 91 2HG ARG 18 2HG ARG 18 -3.196 2.782 9.734 92 1HD ARG 18 1HD ARG 18 -3.259 5.088 8.971 93 2HD ARG 18 2HD ARG 18 -4.204 3.996 7.964 94 HE ARG 18 HE ARG 18 -5.994 5.013 9.760 95 1HH1 ARG 18 1HH1 ARG 18 -3.677 6.679 7.696 96 2HH1 ARG 18 2HH1 ARG 18 -4.790 7.803 7.070 97 1HH2 ARG 18 1HH2 ARG 18 -7.538 6.559 8.929 98 2HH2 ARG 18 2HH2 ARG 18 -7.075 7.691 7.752 99 H ARG 19 H ARG 19 -5.290 0.959 13.245 100 HA ARG 19 HA ARG 19 -7.758 -0.579 12.970 101 1HB ARG 19 1HB ARG 19 -5.897 -1.740 13.971 102 2HB ARG 19 2HB ARG 19 -5.691 -0.458 15.144 103 1HG ARG 19 1HG ARG 19 -7.744 -0.988 16.194 104 2HG ARG 19 2HG ARG 19 -8.139 -2.191 14.956 105 1HD ARG 19 1HD ARG 19 -6.150 -3.472 15.616 106 2HD ARG 19 2HD ARG 19 -5.809 -2.294 16.879 107 HE ARG 19 HE ARG 19 -8.412 -3.464 16.881 108 1HH1 ARG 19 1HH1 ARG 19 -5.214 -3.490 18.335 109 2HH1 ARG 19 2HH1 ARG 19 -5.660 -4.538 19.591 110 1HH2 ARG 19 1HH2 ARG 19 -9.008 -4.920 18.595 111 2HH2 ARG 19 2HH2 ARG 19 -7.836 -5.334 19.775 112 HA PRO 20 HA PRO 20 -9.735 3.203 14.554 113 1HB PRO 20 1HB PRO 20 -11.972 1.238 14.770 114 2HB PRO 20 2HB PRO 20 -11.978 2.870 14.081 115 1HG PRO 20 1HG PRO 20 -11.954 0.786 12.463 116 2HG PRO 20 2HG PRO 20 -10.900 2.176 12.127 117 1HD PRO 20 1HD PRO 20 -10.207 -0.488 13.320 118 2HD PRO 20 2HD PRO 20 -9.322 0.475 12.116 119 H ASP 21 H ASP 21 -10.667 0.114 16.177 120 HA ASP 21 HA ASP 21 -9.765 1.064 18.726 121 1HB ASP 21 1HB ASP 21 -11.884 0.958 19.916 122 2HB ASP 21 2HB ASP 21 -12.028 2.130 18.624 123 H LEU 22 H LEU 22 -10.924 -0.712 20.413 124 HA LEU 22 HA LEU 22 -9.342 -2.974 19.734 125 1HB LEU 22 1HB LEU 22 -11.062 -2.400 22.097 126 2HB LEU 22 2HB LEU 22 -10.069 -3.839 21.928 127 HG LEU 22 HG LEU 22 -9.105 -0.993 22.039 128 1HD1 LEU 22 1HD1 LEU 22 -8.737 -3.342 23.858 129 2HD1 LEU 22 2HD1 LEU 22 -9.776 -1.945 24.153 130 3HD1 LEU 22 3HD1 LEU 22 -8.015 -1.741 24.084 131 1HD2 LEU 22 1HD2 LEU 22 -7.792 -2.132 20.474 132 2HD2 LEU 22 2HD2 LEU 22 -7.650 -3.564 21.467 133 3HD2 LEU 22 3HD2 LEU 22 -6.814 -2.065 21.931 134 H ARG 23 H ARG 23 -12.558 -2.296 19.283 135 HA ARG 23 HA ARG 23 -13.396 -5.042 19.235 136 1HB ARG 23 1HB ARG 23 -14.770 -2.491 18.478 137 2HB ARG 23 2HB ARG 23 -15.525 -4.071 18.274 138 1HG ARG 23 1HG ARG 23 -15.510 -4.502 20.577 139 2HG ARG 23 2HG ARG 23 -14.384 -3.184 20.891 140 1HD ARG 23 1HD ARG 23 -17.169 -2.826 19.833 141 2HD ARG 23 2HD ARG 23 -16.716 -2.691 21.533 142 HE ARG 23 HE ARG 23 -15.050 -1.046 19.960 143 1HH1 ARG 23 1HH1 ARG 23 -18.412 -1.193 21.143 144 2HH1 ARG 23 2HH1 ARG 23 -18.529 0.517 21.219 145 1HH2 ARG 23 1HH2 ARG 23 -15.306 1.272 20.181 146 2HH2 ARG 23 2HH2 ARG 23 -16.831 1.878 20.687 147 H TYR 24 H TYR 24 -11.656 -3.144 17.183 148 HA TYR 24 HA TYR 24 -12.397 -4.691 14.858 149 1HB TYR 24 1HB TYR 24 -10.671 -2.235 15.259 150 2HB TYR 24 2HB TYR 24 -10.669 -3.164 13.766 151 HD1 TYR 24 HD1 TYR 24 -12.809 -1.155 16.009 152 HD2 TYR 24 HD2 TYR 24 -12.300 -2.800 12.130 153 HE1 TYR 24 HE1 TYR 24 -14.715 0.163 15.201 154 HE2 TYR 24 HE2 TYR 24 -14.199 -1.490 11.312 155 HH TYR 24 HH TYR 24 -15.652 0.982 13.261 156 H GLN 25 H GLN 25 -10.871 -6.015 14.099 157 HA GLN 25 HA GLN 25 -8.749 -6.674 16.010 158 1HB GLN 25 1HB GLN 25 -8.586 -8.776 14.706 159 2HB GLN 25 2HB GLN 25 -10.170 -8.515 15.410 160 1HG GLN 25 1HG GLN 25 -11.064 -7.776 13.396 161 2HG GLN 25 2HG GLN 25 -9.505 -7.790 12.587 162 1HE2 GLN 25 1HE2 GLN 25 -8.743 -10.388 13.893 163 2HE2 GLN 25 2HE2 GLN 25 -9.651 -11.576 13.042 164 H LEU 26 H LEU 26 -7.099 -7.987 14.064 165 HA LEU 26 HA LEU 26 -5.928 -5.638 12.761 166 1HB LEU 26 1HB LEU 26 -4.857 -8.470 12.900 167 2HB LEU 26 2HB LEU 26 -3.986 -7.036 12.415 168 HG LEU 26 HG LEU 26 -3.134 -7.637 14.506 169 1HD1 LEU 26 1HD1 LEU 26 -5.072 -5.406 14.975 170 2HD1 LEU 26 2HD1 LEU 26 -3.424 -5.287 14.349 171 3HD1 LEU 26 3HD1 LEU 26 -3.703 -5.808 16.013 172 1HD2 LEU 26 1HD2 LEU 26 -4.827 -9.207 15.259 173 2HD2 LEU 26 2HD2 LEU 26 -5.967 -7.907 15.522 174 3HD2 LEU 26 3HD2 LEU 26 -4.530 -8.026 16.542 175 H GLY 27 H GLY 27 -6.876 -8.968 12.067 176 1HA GLY 27 1HA GLY 27 -8.445 -9.314 10.246 177 2HA GLY 27 2HA GLY 27 -7.611 -8.036 9.374 178 H PHE 28 H PHE 28 -5.688 -10.261 11.163 179 HA PHE 28 HA PHE 28 -5.374 -12.027 8.923 180 1HB PHE 28 1HB PHE 28 -2.972 -11.732 8.660 181 2HB PHE 28 2HB PHE 28 -3.772 -10.218 8.340 182 HD1 PHE 28 HD1 PHE 28 -3.550 -8.348 9.966 183 HD2 PHE 28 HD2 PHE 28 -1.433 -11.996 10.462 184 HE1 PHE 28 HE1 PHE 28 -2.021 -7.238 11.531 185 HE2 PHE 28 HE2 PHE 28 0.098 -10.886 12.043 186 HZ PHE 28 HZ PHE 28 -0.197 -8.514 12.575 187 H SER 29 H SER 29 -4.109 -13.872 9.455 188 HA SER 29 HA SER 29 -4.207 -14.466 12.323 189 1HB SER 29 1HB SER 29 -3.929 -16.369 10.004 190 2HB SER 29 2HB SER 29 -4.448 -16.744 11.649 191 HG SER 29 HG SER 29 -6.392 -15.782 11.269 192 H VAL 30 H VAL 30 -2.225 -14.526 13.287 193 HA VAL 30 HA VAL 30 0.060 -14.900 11.518 194 HB VAL 30 HB VAL 30 -0.355 -12.662 12.908 195 1HG1 VAL 30 1HG1 VAL 30 1.136 -14.284 14.897 196 2HG1 VAL 30 2HG1 VAL 30 -0.509 -13.662 15.106 197 3HG1 VAL 30 3HG1 VAL 30 0.867 -12.543 15.001 198 1HG2 VAL 30 1HG2 VAL 30 1.514 -12.978 11.443 199 2HG2 VAL 30 2HG2 VAL 30 2.351 -13.929 12.671 200 3HG2 VAL 30 3HG2 VAL 30 2.044 -12.213 12.939 201 H GLN 31 H GLN 31 1.322 -16.586 11.903 202 HA GLN 31 HA GLN 31 0.807 -18.100 14.345 203 1HB GLN 31 1HB GLN 31 1.831 -19.057 11.680 204 2HB GLN 31 2HB GLN 31 1.722 -20.045 13.122 205 1HG GLN 31 1HG GLN 31 -0.762 -19.428 13.093 206 2HG GLN 31 2HG GLN 31 -0.465 -18.969 11.408 207 1HE2 GLN 31 1HE2 GLN 31 -0.502 -21.454 13.701 208 2HE2 GLN 31 2HE2 GLN 31 -0.407 -22.813 12.646 209 H ASN 32 H ASN 32 2.225 -17.380 15.718 210 HA ASN 32 HA ASN 32 4.171 -17.268 16.831 211 1HB ASN 32 1HB ASN 32 5.145 -18.950 14.538 212 2HB ASN 32 2HB ASN 32 6.198 -18.529 15.900 213 1HD2 ASN 32 1HD2 ASN 32 5.420 -21.087 14.993 214 2HD2 ASN 32 2HD2 ASN 32 4.528 -21.856 16.252 215 H GLY 33 H GLY 33 3.438 -15.457 14.515 216 1HA GLY 33 1HA GLY 33 4.499 -13.250 14.449 217 2HA GLY 33 2HA GLY 33 6.046 -14.086 14.381 218 H ILE 34 H ILE 34 4.074 -15.899 12.515 219 HA ILE 34 HA ILE 34 4.784 -14.346 10.106 220 HB ILE 34 HB ILE 34 4.613 -17.391 10.264 221 1HG1 ILE 34 1HG1 ILE 34 7.064 -17.271 9.553 222 2HG1 ILE 34 2HG1 ILE 34 7.015 -15.567 9.965 223 1HG2 ILE 34 1HG2 ILE 34 5.301 -15.563 7.984 224 2HG2 ILE 34 2HG2 ILE 34 3.846 -16.554 8.132 225 3HG2 ILE 34 3HG2 ILE 34 5.428 -17.325 7.928 226 1HD1 ILE 34 1HD1 ILE 34 6.603 -17.885 11.845 227 2HD1 ILE 34 2HD1 ILE 34 6.509 -16.175 12.282 228 3HD1 ILE 34 3HD1 ILE 34 8.036 -16.860 11.717 229 H ILE 35 H ILE 35 3.252 -13.663 8.977 230 HA ILE 35 HA ILE 35 0.522 -14.076 9.535 231 HB ILE 35 HB ILE 35 1.860 -12.940 7.075 232 1HG1 ILE 35 1HG1 ILE 35 0.749 -11.443 9.444 233 2HG1 ILE 35 2HG1 ILE 35 2.421 -11.981 9.382 234 1HG2 ILE 35 1HG2 ILE 35 -0.964 -12.618 8.153 235 2HG2 ILE 35 2HG2 ILE 35 -0.506 -13.491 6.693 236 3HG2 ILE 35 3HG2 ILE 35 -0.294 -11.743 6.772 237 1HD1 ILE 35 1HD1 ILE 35 1.165 -10.298 7.290 238 2HD1 ILE 35 2HD1 ILE 35 2.892 -10.594 7.565 239 3HD1 ILE 35 3HD1 ILE 35 1.960 -9.622 8.710 240 H CYS 36 H CYS 36 -0.464 -15.964 9.116 241 HA CYS 36 HA CYS 36 0.403 -17.522 6.787 242 1HB CYS 36 1HB CYS 36 0.584 -18.628 9.000 243 2HB CYS 36 2HB CYS 36 -1.156 -18.463 9.198 244 HG CYS 36 HG CYS 36 0.556 -20.826 7.763 245 H SER 37 H SER 37 -2.250 -15.697 8.028 246 HA SER 37 HA SER 37 -3.698 -16.306 5.611 247 1HB SER 37 1HB SER 37 -5.043 -16.647 8.308 248 2HB SER 37 2HB SER 37 -5.779 -16.820 6.710 249 HG SER 37 HG SER 37 -3.651 -18.362 6.773 250 H LEU 38 H LEU 38 -5.239 -14.689 5.084 251 HA LEU 38 HA LEU 38 -5.140 -12.270 6.735 252 1HB LEU 38 1HB LEU 38 -3.452 -12.058 5.010 253 2HB LEU 38 2HB LEU 38 -4.613 -12.491 3.778 254 HG LEU 38 HG LEU 38 -5.843 -10.370 4.272 255 1HD1 LEU 38 1HD1 LEU 38 -3.461 -9.814 6.012 256 2HD1 LEU 38 2HD1 LEU 38 -5.124 -10.057 6.556 257 3HD1 LEU 38 3HD1 LEU 38 -4.710 -8.651 5.576 258 1HD2 LEU 38 1HD2 LEU 38 -4.228 -10.488 2.448 259 2HD2 LEU 38 2HD2 LEU 38 -2.948 -10.068 3.600 260 3HD2 LEU 38 3HD2 LEU 38 -4.202 -8.902 3.232 261 H MET 39 H MET 39 -7.001 -11.132 6.776 262 HA MET 39 HA MET 39 -9.355 -12.207 5.523 263 1HB MET 39 1HB MET 39 -9.433 -11.281 7.826 264 2HB MET 39 2HB MET 39 -8.915 -9.726 7.210 265 1HG MET 39 1HG MET 39 -11.000 -9.607 5.882 266 2HG MET 39 2HG MET 39 -11.526 -11.109 6.639 267 1HE MET 39 1HE MET 39 -13.767 -9.938 7.494 268 2HE MET 39 2HE MET 39 -13.265 -8.429 6.726 269 3HE MET 39 3HE MET 39 -13.787 -8.432 8.409 270 H ARG 40 H ARG 40 -9.480 -11.805 3.437 271 HA ARG 40 HA ARG 40 -8.156 -9.514 2.318 272 1HB ARG 40 1HB ARG 40 -7.984 -11.694 1.232 273 2HB ARG 40 2HB ARG 40 -9.724 -11.698 0.972 274 1HG ARG 40 1HG ARG 40 -8.250 -9.408 -0.171 275 2HG ARG 40 2HG ARG 40 -7.929 -10.981 -0.906 276 1HD ARG 40 1HD ARG 40 -10.657 -9.763 -0.516 277 2HD ARG 40 2HD ARG 40 -9.748 -9.733 -2.033 278 HE ARG 40 HE ARG 40 -10.031 -12.379 -1.023 279 1HH1 ARG 40 1HH1 ARG 40 -11.928 -9.896 -2.747 280 2HH1 ARG 40 2HH1 ARG 40 -12.859 -11.046 -3.580 281 1HH2 ARG 40 1HH2 ARG 40 -11.266 -13.855 -2.125 282 2HH2 ARG 40 2HH2 ARG 40 -12.496 -13.404 -3.234 283 H GLY 41 H GLY 41 -9.016 -7.676 2.413 284 1HA GLY 41 1HA GLY 41 -10.756 -6.203 1.530 285 2HA GLY 41 2HA GLY 41 -11.928 -7.384 2.125 286 H GLY 42 H GLY 42 -9.885 -7.779 4.377 287 1HA GLY 42 1HA GLY 42 -11.220 -5.975 6.210 288 2HA GLY 42 2HA GLY 42 -10.076 -7.243 6.636 289 H ILE 43 H ILE 43 -9.634 -5.149 8.042 290 HA ILE 43 HA ILE 43 -8.288 -3.037 6.824 291 HB ILE 43 HB ILE 43 -7.152 -2.934 9.286 292 1HG1 ILE 43 1HG1 ILE 43 -9.839 -4.284 9.650 293 2HG1 ILE 43 2HG1 ILE 43 -8.248 -4.865 10.155 294 1HG2 ILE 43 1HG2 ILE 43 -9.786 -1.804 8.397 295 2HG2 ILE 43 2HG2 ILE 43 -8.161 -1.105 8.246 296 3HG2 ILE 43 3HG2 ILE 43 -8.886 -1.295 9.833 297 1HD1 ILE 43 1HD1 ILE 43 -8.081 -3.034 11.759 298 2HD1 ILE 43 2HD1 ILE 43 -9.522 -4.002 12.053 299 3HD1 ILE 43 3HD1 ILE 43 -9.662 -2.439 11.254 300 H ALA 44 H ALA 44 -6.899 -5.989 8.100 301 HA ALA 44 HA ALA 44 -4.236 -5.150 7.891 302 1HB ALA 44 1HB ALA 44 -3.656 -7.494 7.974 303 2HB ALA 44 2HB ALA 44 -5.328 -7.931 7.599 304 3HB ALA 44 3HB ALA 44 -4.946 -7.123 9.115 305 H GLU 45 H GLU 45 -6.393 -6.561 5.515 306 HA GLU 45 HA GLU 45 -4.509 -6.995 3.467 307 1HB GLU 45 1HB GLU 45 -6.802 -7.943 3.461 308 2HB GLU 45 2HB GLU 45 -7.462 -6.331 3.303 309 1HG GLU 45 1HG GLU 45 -5.653 -7.510 1.225 310 2HG GLU 45 2HG GLU 45 -7.401 -7.797 1.205 311 H ARG 46 H ARG 46 -6.515 -4.318 4.345 312 HA ARG 46 HA ARG 46 -5.683 -2.781 2.134 313 1HB ARG 46 1HB ARG 46 -7.151 -1.873 4.613 314 2HB ARG 46 2HB ARG 46 -7.029 -0.970 3.102 315 1HG ARG 46 1HG ARG 46 -8.184 -2.821 1.943 316 2HG ARG 46 2HG ARG 46 -8.389 -3.624 3.501 317 1HD ARG 46 1HD ARG 46 -9.659 -1.659 4.285 318 2HD ARG 46 2HD ARG 46 -9.539 -0.968 2.666 319 HE ARG 46 HE ARG 46 -11.042 -3.360 3.443 320 1HH1 ARG 46 1HH1 ARG 46 -10.198 -1.041 0.868 321 2HH1 ARG 46 2HH1 ARG 46 -11.575 -1.468 -0.074 322 1HH2 ARG 46 1HH2 ARG 46 -12.933 -3.834 2.103 323 2HH2 ARG 46 2HH2 ARG 46 -13.076 -3.022 0.603 324 H GLY 47 H GLY 47 -4.625 -3.238 5.358 325 1HA GLY 47 1HA GLY 47 -2.987 -0.939 5.653 326 2HA GLY 47 2HA GLY 47 -2.937 -2.396 6.631 327 H GLY 48 H GLY 48 -2.557 -3.947 3.982 328 1HA GLY 48 1HA GLY 48 -0.792 -3.992 2.322 329 2HA GLY 48 2HA GLY 48 0.232 -3.118 3.460 330 H VAL 49 H VAL 49 -1.567 -5.437 5.039 331 HA VAL 49 HA VAL 49 0.709 -7.051 5.629 332 HB VAL 49 HB VAL 49 -2.225 -7.318 6.180 333 1HG1 VAL 49 1HG1 VAL 49 -1.691 -9.011 7.867 334 2HG1 VAL 49 2HG1 VAL 49 0.012 -8.784 7.532 335 3HG1 VAL 49 3HG1 VAL 49 -1.028 -9.526 6.301 336 1HG2 VAL 49 1HG2 VAL 49 -1.284 -5.419 7.264 337 2HG2 VAL 49 2HG2 VAL 49 -0.022 -6.444 7.992 338 3HG2 VAL 49 3HG2 VAL 49 -1.710 -6.644 8.460 339 H ARG 50 H ARG 50 1.225 -8.978 4.664 340 HA ARG 50 HA ARG 50 -0.720 -10.400 2.998 341 1HB ARG 50 1HB ARG 50 2.057 -9.623 2.066 342 2HB ARG 50 2HB ARG 50 1.055 -10.840 1.299 343 1HG ARG 50 1HG ARG 50 0.459 -7.893 1.506 344 2HG ARG 50 2HG ARG 50 1.007 -8.749 0.068 345 1HD ARG 50 1HD ARG 50 -1.061 -10.111 0.136 346 2HD ARG 50 2HD ARG 50 -1.615 -9.161 1.514 347 HE ARG 50 HE ARG 50 -1.332 -8.290 -1.247 348 1HH1 ARG 50 1HH1 ARG 50 -2.325 -7.485 2.082 349 2HH1 ARG 50 2HH1 ARG 50 -3.280 -6.148 1.607 350 1HH2 ARG 50 1HH2 ARG 50 -2.657 -6.432 -1.869 351 2HH2 ARG 50 2HH2 ARG 50 -3.455 -5.557 -0.661 352 H VAL 51 H VAL 51 -0.185 -12.450 2.566 353 HA VAL 51 HA VAL 51 0.663 -13.730 4.984 354 HB VAL 51 HB VAL 51 -0.598 -14.576 2.420 355 1HG1 VAL 51 1HG1 VAL 51 -0.099 -16.263 4.912 356 2HG1 VAL 51 2HG1 VAL 51 0.656 -16.550 3.337 357 3HG1 VAL 51 3HG1 VAL 51 -1.086 -16.775 3.555 358 1HG2 VAL 51 1HG2 VAL 51 -2.581 -14.917 3.795 359 2HG2 VAL 51 2HG2 VAL 51 -1.965 -13.257 3.851 360 3HG2 VAL 51 3HG2 VAL 51 -1.653 -14.370 5.191 361 H GLY 52 H GLY 52 2.363 -15.080 5.193 362 1HA GLY 52 1HA GLY 52 4.228 -16.347 4.379 363 2HA GLY 52 2HA GLY 52 4.173 -15.412 2.891 364 H HIS 53 H HIS 53 3.705 -13.438 5.429 365 HA HIS 53 HA HIS 53 6.502 -12.571 5.381 366 1HB HIS 53 1HB HIS 53 3.963 -11.086 5.944 367 2HB HIS 53 2HB HIS 53 5.548 -10.516 6.457 368 HD1 HIS 53 HD1 HIS 53 7.111 -9.592 4.528 369 HD2 HIS 53 HD2 HIS 53 3.310 -10.707 3.312 370 HE1 HIS 53 HE1 HIS 53 6.766 -8.463 2.344 371 HE2 HIS 53 HE2 HIS 53 4.324 -8.749 1.971 372 H ARG 54 H ARG 54 7.606 -12.310 7.231 373 HA ARG 54 HA ARG 54 6.321 -13.105 9.754 374 1HB ARG 54 1HB ARG 54 8.439 -14.258 9.396 375 2HB ARG 54 2HB ARG 54 9.242 -12.716 9.038 376 1HG ARG 54 1HG ARG 54 8.827 -12.015 11.363 377 2HG ARG 54 2HG ARG 54 8.121 -13.593 11.703 378 1HD ARG 54 1HD ARG 54 10.934 -13.148 10.725 379 2HD ARG 54 2HD ARG 54 10.495 -13.329 12.422 380 HE ARG 54 HE ARG 54 9.484 -15.543 11.423 381 1HH1 ARG 54 1HH1 ARG 54 12.664 -14.077 10.703 382 2HH1 ARG 54 2HH1 ARG 54 13.465 -15.570 10.639 383 1HH2 ARG 54 1HH2 ARG 54 10.655 -17.622 11.261 384 2HH2 ARG 54 2HH2 ARG 54 12.305 -17.591 10.901 385 H ILE 55 H ILE 55 5.909 -11.604 11.200 386 HA ILE 55 HA ILE 55 6.542 -8.882 10.501 387 HB ILE 55 HB ILE 55 5.140 -9.879 12.974 388 1HG1 ILE 55 1HG1 ILE 55 3.992 -9.005 10.319 389 2HG1 ILE 55 2HG1 ILE 55 3.918 -10.626 11.008 390 1HG2 ILE 55 1HG2 ILE 55 5.238 -7.195 11.601 391 2HG2 ILE 55 2HG2 ILE 55 6.024 -7.609 13.120 392 3HG2 ILE 55 3HG2 ILE 55 4.263 -7.574 13.018 393 1HD1 ILE 55 1HD1 ILE 55 2.785 -8.164 12.174 394 2HD1 ILE 55 2HD1 ILE 55 2.628 -9.808 12.830 395 3HD1 ILE 55 3HD1 ILE 55 1.852 -9.382 11.275 396 H ILE 56 H ILE 56 8.254 -7.920 11.193 397 HA ILE 56 HA ILE 56 9.702 -9.115 13.382 398 HB ILE 56 HB ILE 56 11.703 -8.080 12.581 399 1HG1 ILE 56 1HG1 ILE 56 9.976 -6.863 10.425 400 2HG1 ILE 56 2HG1 ILE 56 10.699 -6.005 11.788 401 1HG2 ILE 56 1HG2 ILE 56 10.134 -9.358 10.326 402 2HG2 ILE 56 2HG2 ILE 56 11.048 -10.227 11.551 403 3HG2 ILE 56 3HG2 ILE 56 11.884 -9.201 10.390 404 1HD1 ILE 56 1HD1 ILE 56 11.954 -5.744 9.727 405 2HD1 ILE 56 2HD1 ILE 56 12.182 -7.520 9.738 406 3HD1 ILE 56 3HD1 ILE 56 12.850 -6.539 11.043 407 H GLU 57 H GLU 57 7.698 -6.508 12.798 408 HA GLU 57 HA GLU 57 8.385 -5.345 15.352 409 1HB GLU 57 1HB GLU 57 9.989 -4.107 13.902 410 2HB GLU 57 2HB GLU 57 8.657 -3.648 12.845 411 1HG GLU 57 1HG GLU 57 7.623 -2.414 14.702 412 2HG GLU 57 2HG GLU 57 8.966 -2.857 15.735 413 H ILE 58 H ILE 58 6.745 -4.350 16.237 414 HA ILE 58 HA ILE 58 4.379 -3.723 14.631 415 HB ILE 58 HB ILE 58 4.398 -5.319 17.187 416 1HG1 ILE 58 1HG1 ILE 58 3.234 -6.174 14.547 417 2HG1 ILE 58 2HG1 ILE 58 4.899 -6.525 15.004 418 1HG2 ILE 58 1HG2 ILE 58 2.110 -4.272 15.504 419 2HG2 ILE 58 2HG2 ILE 58 2.544 -3.701 17.110 420 3HG2 ILE 58 3HG2 ILE 58 1.902 -5.340 16.901 421 1HD1 ILE 58 1HD1 ILE 58 4.131 -7.706 16.927 422 2HD1 ILE 58 2HD1 ILE 58 3.473 -8.404 15.447 423 3HD1 ILE 58 3HD1 ILE 58 2.440 -7.411 16.503 424 H ASN 59 H ASN 59 3.974 -1.679 15.092 425 HA ASN 59 HA ASN 59 3.307 0.167 16.281 426 1HB ASN 59 1HB ASN 59 2.249 -1.598 17.819 427 2HB ASN 59 2HB ASN 59 3.684 -1.474 18.818 428 1HD2 ASN 59 1HD2 ASN 59 0.724 0.002 17.846 429 2HD2 ASN 59 2HD2 ASN 59 0.681 1.232 19.054 430 H GLY 60 H GLY 60 6.183 -0.856 15.906 431 1HA GLY 60 1HA GLY 60 8.054 0.611 15.978 432 2HA GLY 60 2HA GLY 60 7.404 1.308 17.453 433 H GLN 61 H GLN 61 7.003 -1.918 17.887 434 HA GLN 61 HA GLN 61 9.698 -2.177 18.995 435 1HB GLN 61 1HB GLN 61 8.831 -3.582 20.778 436 2HB GLN 61 2HB GLN 61 8.042 -2.017 20.805 437 1HG GLN 61 1HG GLN 61 6.064 -3.000 19.769 438 2HG GLN 61 2HG GLN 61 6.874 -4.565 19.713 439 1HE2 GLN 61 1HE2 GLN 61 7.300 -5.653 21.647 440 2HE2 GLN 61 2HE2 GLN 61 6.419 -5.300 23.088 441 H SER 62 H SER 62 10.910 -3.696 18.485 442 HA SER 62 HA SER 62 10.273 -5.370 16.300 443 1HB SER 62 1HB SER 62 12.559 -4.527 16.804 444 2HB SER 62 2HB SER 62 12.584 -5.522 18.256 445 HG SER 62 HG SER 62 13.342 -6.207 15.877 446 H VAL 63 H VAL 63 8.973 -7.147 16.442 447 HA VAL 63 HA VAL 63 8.779 -8.535 18.998 448 HB VAL 63 HB VAL 63 6.590 -9.195 18.203 449 1HG1 VAL 63 1HG1 VAL 63 7.084 -6.207 17.942 450 2HG1 VAL 63 2HG1 VAL 63 6.766 -7.078 19.424 451 3HG1 VAL 63 3HG1 VAL 63 5.505 -6.949 18.201 452 1HG2 VAL 63 1HG2 VAL 63 7.187 -9.294 15.804 453 2HG2 VAL 63 2HG2 VAL 63 7.173 -7.523 15.751 454 3HG2 VAL 63 3HG2 VAL 63 5.695 -8.417 16.097 455 H VAL 64 H VAL 64 10.685 -8.719 16.665 456 HA VAL 64 HA VAL 64 10.042 -11.136 15.325 457 HB VAL 64 HB VAL 64 11.477 -9.223 14.509 458 1HG1 VAL 64 1HG1 VAL 64 13.575 -10.605 16.103 459 2HG1 VAL 64 2HG1 VAL 64 12.957 -8.962 16.305 460 3HG1 VAL 64 3HG1 VAL 64 13.876 -9.385 14.854 461 1HG2 VAL 64 1HG2 VAL 64 12.827 -10.697 13.092 462 2HG2 VAL 64 2HG2 VAL 64 11.126 -11.137 13.263 463 3HG2 VAL 64 3HG2 VAL 64 12.359 -12.069 14.131 464 H ALA 65 H ALA 65 11.378 -10.535 18.375 465 HA ALA 65 HA ALA 65 12.125 -13.365 18.540 466 1HB ALA 65 1HB ALA 65 13.677 -12.737 20.334 467 2HB ALA 65 2HB ALA 65 13.211 -11.045 20.132 468 3HB ALA 65 3HB ALA 65 14.043 -11.893 18.830 469 H THR 66 H THR 66 9.646 -11.488 19.052 470 HA THR 66 HA THR 66 9.127 -11.848 21.811 471 HB THR 66 HB THR 66 7.551 -10.693 19.468 472 HG1 THR 66 HG1 THR 66 9.612 -9.788 20.693 473 1HG2 THR 66 1HG2 THR 66 6.962 -10.465 22.436 474 2HG2 THR 66 2HG2 THR 66 6.062 -11.448 21.292 475 3HG2 THR 66 3HG2 THR 66 6.092 -9.694 21.103 476 HA PRO 67 HA PRO 67 7.240 -15.934 21.317 477 1HB PRO 67 1HB PRO 67 5.488 -15.077 23.550 478 2HB PRO 67 2HB PRO 67 6.548 -16.484 23.433 479 1HG PRO 67 1HG PRO 67 7.197 -14.395 24.958 480 2HG PRO 67 2HG PRO 67 8.432 -15.280 24.041 481 1HD PRO 67 1HD PRO 67 7.156 -12.645 23.481 482 2HD PRO 67 2HD PRO 67 8.841 -13.167 23.262 483 H HIS 68 H HIS 68 5.313 -16.922 20.731 484 HA HIS 68 HA HIS 68 3.560 -15.850 18.910 485 1HB HIS 68 1HB HIS 68 3.844 -18.238 19.239 486 2HB HIS 68 2HB HIS 68 3.263 -18.135 20.881 487 HD1 HIS 68 HD1 HIS 68 2.293 -19.284 17.712 488 HD2 HIS 68 HD2 HIS 68 0.288 -17.412 20.831 489 HE1 HIS 68 HE1 HIS 68 -0.150 -19.789 17.352 490 HE2 HIS 68 HE2 HIS 68 -1.252 -18.953 19.433 491 H GLU 69 H GLU 69 2.834 -16.493 22.285 492 HA GLU 69 HA GLU 69 0.305 -15.452 22.562 493 1HB GLU 69 1HB GLU 69 1.623 -16.720 24.218 494 2HB GLU 69 2HB GLU 69 2.570 -15.258 24.483 495 1HG GLU 69 1HG GLU 69 0.388 -14.138 25.086 496 2HG GLU 69 2HG GLU 69 -0.282 -15.775 25.153 497 H LYS 70 H LYS 70 3.398 -13.873 23.119 498 HA LYS 70 HA LYS 70 2.390 -11.418 23.990 499 1HB LYS 70 1HB LYS 70 4.989 -12.524 23.365 500 2HB LYS 70 2HB LYS 70 4.853 -10.853 22.865 501 1HG LYS 70 1HG LYS 70 5.704 -11.034 25.121 502 2HG LYS 70 2HG LYS 70 4.149 -10.204 25.070 503 1HD LYS 70 1HD LYS 70 3.165 -12.557 25.528 504 2HD LYS 70 2HD LYS 70 4.804 -12.941 26.061 505 1HE LYS 70 1HE LYS 70 4.781 -11.083 27.548 506 2HE LYS 70 2HE LYS 70 3.162 -10.651 27.006 507 1HZ LYS 70 1HZ LYS 70 2.816 -11.894 28.997 508 2HZ LYS 70 2HZ LYS 70 3.985 -13.040 28.570 509 3HZ LYS 70 3HZ LYS 70 2.515 -13.024 27.766 510 H ILE 71 H ILE 71 3.682 -12.301 20.867 511 HA ILE 71 HA ILE 71 3.282 -9.947 19.504 512 HB ILE 71 HB ILE 71 3.008 -12.803 18.500 513 1HG1 ILE 71 1HG1 ILE 71 5.322 -10.868 18.453 514 2HG1 ILE 71 2HG1 ILE 71 5.162 -12.265 19.507 515 1HG2 ILE 71 1HG2 ILE 71 3.460 -10.294 16.917 516 2HG2 ILE 71 2HG2 ILE 71 1.949 -11.237 16.943 517 3HG2 ILE 71 3HG2 ILE 71 3.440 -11.952 16.299 518 1HD1 ILE 71 1HD1 ILE 71 5.365 -12.349 16.510 519 2HD1 ILE 71 2HD1 ILE 71 5.311 -13.746 17.605 520 3HD1 ILE 71 3HD1 ILE 71 6.680 -12.624 17.650 521 H VAL 72 H VAL 72 0.986 -12.540 20.137 522 HA VAL 72 HA VAL 72 -1.139 -11.365 18.631 523 HB VAL 72 HB VAL 72 -1.088 -13.645 20.628 524 1HG1 VAL 72 1HG1 VAL 72 -3.391 -12.770 18.879 525 2HG1 VAL 72 2HG1 VAL 72 -3.308 -12.670 20.648 526 3HG1 VAL 72 3HG1 VAL 72 -3.309 -14.240 19.857 527 1HG2 VAL 72 1HG2 VAL 72 0.096 -14.068 18.566 528 2HG2 VAL 72 2HG2 VAL 72 -1.309 -13.568 17.631 529 3HG2 VAL 72 3HG2 VAL 72 -1.383 -15.032 18.621 530 H HIS 73 H HIS 73 -0.148 -11.267 21.985 531 HA HIS 73 HA HIS 73 -2.632 -10.235 22.983 532 1HB HIS 73 1HB HIS 73 -1.072 -11.568 24.387 533 2HB HIS 73 2HB HIS 73 0.113 -10.273 24.273 534 HD1 HIS 73 HD1 HIS 73 -3.311 -10.957 25.708 535 HD2 HIS 73 HD2 HIS 73 -0.143 -8.315 26.181 536 HE1 HIS 73 HE1 HIS 73 -3.830 -9.625 27.788 537 HE2 HIS 73 HE2 HIS 73 -1.820 -8.146 28.133 538 H ILE 74 H ILE 74 0.452 -8.932 22.024 539 HA ILE 74 HA ILE 74 -0.005 -6.292 22.770 540 HB ILE 74 HB ILE 74 1.880 -7.620 20.819 541 1HG1 ILE 74 1HG1 ILE 74 2.544 -6.312 23.428 542 2HG1 ILE 74 2HG1 ILE 74 1.841 -7.926 23.400 543 1HG2 ILE 74 1HG2 ILE 74 1.897 -4.757 21.782 544 2HG2 ILE 74 2HG2 ILE 74 1.501 -5.280 20.143 545 3HG2 ILE 74 3HG2 ILE 74 3.135 -5.529 20.780 546 1HD1 ILE 74 1HD1 ILE 74 4.401 -7.075 22.091 547 2HD1 ILE 74 2HD1 ILE 74 3.595 -8.669 22.005 548 3HD1 ILE 74 3HD1 ILE 74 4.191 -8.087 23.556 549 H LEU 75 H LEU 75 -0.292 -8.061 19.672 550 HA LEU 75 HA LEU 75 -1.325 -5.979 18.117 551 1HB LEU 75 1HB LEU 75 -1.733 -8.956 17.946 552 2HB LEU 75 2HB LEU 75 -2.469 -7.859 16.801 553 HG LEU 75 HG LEU 75 0.497 -8.135 17.247 554 1HD1 LEU 75 1HD1 LEU 75 -1.267 -9.170 15.032 555 2HD1 LEU 75 2HD1 LEU 75 -0.461 -10.147 16.262 556 3HD1 LEU 75 3HD1 LEU 75 0.494 -9.259 15.076 557 1HD2 LEU 75 1HD2 LEU 75 -1.094 -6.649 15.152 558 2HD2 LEU 75 2HD2 LEU 75 0.662 -6.791 15.197 559 3HD2 LEU 75 3HD2 LEU 75 -0.188 -5.901 16.468 560 H SER 76 H SER 76 -2.980 -8.236 20.211 561 HA SER 76 HA SER 76 -5.594 -7.544 19.555 562 1HB SER 76 1HB SER 76 -5.008 -9.586 20.796 563 2HB SER 76 2HB SER 76 -4.556 -8.611 22.191 564 HG SER 76 HG SER 76 -6.938 -7.811 21.721 565 H ASN 77 H ASN 77 -3.303 -5.820 21.551 566 HA ASN 77 HA ASN 77 -5.511 -4.177 22.592 567 1HB ASN 77 1HB ASN 77 -2.764 -4.637 23.695 568 2HB ASN 77 2HB ASN 77 -3.749 -3.276 24.219 569 1HD2 ASN 77 1HD2 ASN 77 -3.368 -6.729 24.281 570 2HD2 ASN 77 2HD2 ASN 77 -4.538 -6.981 25.547 571 H ALA 78 H ALA 78 -2.948 -4.003 20.387 572 HA ALA 78 HA ALA 78 -2.725 -1.139 20.707 573 1HB ALA 78 1HB ALA 78 -0.677 -2.434 20.311 574 2HB ALA 78 2HB ALA 78 -0.945 -1.255 19.023 575 3HB ALA 78 3HB ALA 78 -1.305 -2.958 18.748 576 H VAL 79 H VAL 79 -3.748 0.327 19.544 577 HA VAL 79 HA VAL 79 -4.968 -0.526 17.017 578 HB VAL 79 HB VAL 79 -7.083 0.374 17.481 579 1HG1 VAL 79 1HG1 VAL 79 -6.226 -0.516 20.076 580 2HG1 VAL 79 2HG1 VAL 79 -6.881 -1.436 18.715 581 3HG1 VAL 79 3HG1 VAL 79 -7.878 -0.228 19.533 582 1HG2 VAL 79 1HG2 VAL 79 -6.349 2.611 18.037 583 2HG2 VAL 79 2HG2 VAL 79 -6.032 2.088 19.712 584 3HG2 VAL 79 3HG2 VAL 79 -7.677 2.015 19.018 585 H GLY 80 H GLY 80 -5.768 1.806 15.911 586 1HA GLY 80 1HA GLY 80 -5.192 3.979 15.317 587 2HA GLY 80 2HA GLY 80 -3.784 3.876 16.371 588 H GLU 81 H GLU 81 -2.591 4.768 14.626 589 HA GLU 81 HA GLU 81 -2.121 3.180 12.285 590 1HB GLU 81 1HB GLU 81 -0.650 5.542 13.478 591 2HB GLU 81 2HB GLU 81 -0.193 4.818 11.956 592 1HG GLU 81 1HG GLU 81 -2.412 5.387 11.052 593 2HG GLU 81 2HG GLU 81 -2.797 6.176 12.585 594 H ILE 82 H ILE 82 -1.150 1.287 12.490 595 HA ILE 82 HA ILE 82 0.893 0.985 14.599 596 HB ILE 82 HB ILE 82 -0.753 -1.172 13.255 597 1HG1 ILE 82 1HG1 ILE 82 -1.016 -0.081 16.065 598 2HG1 ILE 82 2HG1 ILE 82 -2.055 0.399 14.733 599 1HG2 ILE 82 1HG2 ILE 82 1.115 -1.295 15.627 600 2HG2 ILE 82 2HG2 ILE 82 1.424 -1.968 14.027 601 3HG2 ILE 82 3HG2 ILE 82 0.137 -2.633 15.026 602 1HD1 ILE 82 1HD1 ILE 82 -1.785 -2.393 15.818 603 2HD1 ILE 82 2HD1 ILE 82 -2.908 -1.844 14.555 604 3HD1 ILE 82 3HD1 ILE 82 -3.075 -1.253 16.197 605 H HIS 83 H HIS 83 2.828 0.944 13.887 606 HA HIS 83 HA HIS 83 3.384 0.398 11.056 607 1HB HIS 83 1HB HIS 83 5.241 1.403 13.246 608 2HB HIS 83 2HB HIS 83 5.637 1.287 11.541 609 HD1 HIS 83 HD1 HIS 83 5.282 3.402 10.213 610 HD2 HIS 83 HD2 HIS 83 3.160 3.390 13.787 611 HE1 HIS 83 HE1 HIS 83 4.187 5.639 10.371 612 HE2 HIS 83 HE2 HIS 83 3.094 5.669 12.644 613 H MET 84 H MET 84 3.821 -1.547 10.537 614 HA MET 84 HA MET 84 5.298 -3.194 12.458 615 1HB MET 84 1HB MET 84 3.500 -4.144 10.255 616 2HB MET 84 2HB MET 84 4.316 -5.144 11.436 617 1HG MET 84 1HG MET 84 2.905 -4.030 13.186 618 2HG MET 84 2HG MET 84 1.996 -3.285 11.865 619 1HE MET 84 1HE MET 84 2.723 -6.004 9.939 620 2HE MET 84 2HE MET 84 1.347 -4.949 9.725 621 3HE MET 84 3HE MET 84 1.099 -6.704 9.919 622 H LYS 85 H LYS 85 6.823 -4.635 11.413 623 HA LYS 85 HA LYS 85 7.555 -3.823 8.685 624 1HB LYS 85 1HB LYS 85 9.428 -4.633 10.942 625 2HB LYS 85 2HB LYS 85 9.909 -4.360 9.279 626 1HG LYS 85 1HG LYS 85 8.634 -2.268 10.918 627 2HG LYS 85 2HG LYS 85 10.391 -2.557 10.939 628 1HD LYS 85 1HD LYS 85 10.201 -2.353 8.383 629 2HD LYS 85 2HD LYS 85 8.622 -1.644 8.695 630 1HE LYS 85 1HE LYS 85 9.704 -0.000 10.178 631 2HE LYS 85 2HE LYS 85 11.230 -0.798 9.767 632 1HZ LYS 85 1HZ LYS 85 11.199 -0.015 7.606 633 2HZ LYS 85 2HZ LYS 85 10.549 1.333 8.416 634 3HZ LYS 85 3HZ LYS 85 9.554 0.250 7.610 635 H THR 86 H THR 86 7.422 -5.426 7.380 636 HA THR 86 HA THR 86 7.410 -8.105 8.546 637 HB THR 86 HB THR 86 5.772 -8.763 6.800 638 HG1 THR 86 HG1 THR 86 5.899 -5.999 6.132 639 1HG2 THR 86 1HG2 THR 86 4.816 -6.385 8.389 640 2HG2 THR 86 2HG2 THR 86 5.097 -7.972 9.062 641 3HG2 THR 86 3HG2 THR 86 3.833 -7.747 7.830 642 H MET 87 H MET 87 8.517 -9.733 7.515 643 HA MET 87 HA MET 87 10.138 -8.954 5.162 644 1HB MET 87 1HB MET 87 10.909 -10.820 7.443 645 2HB MET 87 2HB MET 87 11.901 -10.456 6.045 646 1HG MET 87 1HG MET 87 11.943 -8.107 6.763 647 2HG MET 87 2HG MET 87 11.066 -8.593 8.223 648 1HE MET 87 1HE MET 87 14.009 -10.434 6.251 649 2HE MET 87 2HE MET 87 15.397 -9.836 7.160 650 3HE MET 87 3HE MET 87 14.407 -8.715 6.225 651 HA PRO 88 HA PRO 88 8.507 -12.750 3.314 652 1HB PRO 88 1HB PRO 88 11.169 -13.783 2.605 653 2HB PRO 88 2HB PRO 88 9.876 -13.222 1.541 654 1HG PRO 88 1HG PRO 88 12.136 -11.816 1.840 655 2HG PRO 88 2HG PRO 88 10.564 -11.028 1.626 656 1HD PRO 88 1HD PRO 88 12.130 -11.487 4.139 657 2HD PRO 88 2HD PRO 88 11.287 -10.019 3.595 658 H ALA 89 H ALA 89 9.615 -12.868 6.113 659 HA ALA 89 HA ALA 89 9.657 -14.284 7.860 660 1HB ALA 89 1HB ALA 89 8.616 -16.466 7.712 661 2HB ALA 89 2HB ALA 89 8.701 -16.404 5.936 662 3HB ALA 89 3HB ALA 89 7.710 -15.241 6.824 663 H ALA 90 H ALA 90 11.896 -13.938 6.041 664 HA ALA 90 HA ALA 90 13.579 -15.943 7.283 665 1HB ALA 90 1HB ALA 90 13.752 -14.991 4.412 666 2HB ALA 90 2HB ALA 90 13.284 -16.610 4.939 667 3HB ALA 90 3HB ALA 90 14.928 -16.032 5.213 Start of MODEL 19 1 H GLU 7 1H GLU 7 21.219 0.900 12.073 2 HA GLU 7 HA GLU 7 20.900 -1.932 12.872 3 1HB GLU 7 1HB GLU 7 19.118 0.490 13.295 4 2HB GLU 7 2HB GLU 7 18.689 -1.162 13.702 5 1HG GLU 7 1HG GLU 7 20.913 0.444 14.942 6 2HG GLU 7 2HG GLU 7 19.339 0.126 15.663 7 H THR 8 H THR 8 20.506 -2.986 10.969 8 HA THR 8 HA THR 8 18.462 -1.804 9.294 9 HB THR 8 HB THR 8 20.697 -1.269 8.300 10 HG1 THR 8 HG1 THR 8 20.207 -2.226 6.214 11 1HG2 THR 8 1HG2 THR 8 20.937 -4.268 8.001 12 2HG2 THR 8 2HG2 THR 8 21.938 -3.252 9.039 13 3HG2 THR 8 3HG2 THR 8 22.021 -3.077 7.285 14 H MET 9 H MET 9 17.503 -3.399 7.860 15 HA MET 9 HA MET 9 17.529 -6.090 9.022 16 1HB MET 9 1HB MET 9 15.199 -4.541 7.883 17 2HB MET 9 2HB MET 9 15.127 -6.186 8.501 18 1HG MET 9 1HG MET 9 15.766 -3.722 10.122 19 2HG MET 9 2HG MET 9 14.213 -4.551 10.079 20 1HE MET 9 1HE MET 9 14.217 -4.695 12.717 21 2HE MET 9 2HE MET 9 15.767 -3.857 12.760 22 3HE MET 9 3HE MET 9 15.551 -5.357 13.663 23 H GLY 10 H GLY 10 16.173 -7.480 7.206 24 1HA GLY 10 1HA GLY 10 17.928 -7.308 4.893 25 2HA GLY 10 2HA GLY 10 16.837 -8.639 5.285 26 H ASN 11 H ASN 11 14.918 -8.729 4.339 27 HA ASN 11 HA ASN 11 14.274 -6.603 2.435 28 1HB ASN 11 1HB ASN 11 13.165 -9.432 2.604 29 2HB ASN 11 2HB ASN 11 12.853 -8.274 1.316 30 1HD2 ASN 11 1HD2 ASN 11 14.922 -10.688 2.539 31 2HD2 ASN 11 2HD2 ASN 11 16.128 -10.620 1.317 32 H VAL 12 H VAL 12 12.884 -5.208 3.274 33 HA VAL 12 HA VAL 12 10.895 -6.230 5.115 34 HB VAL 12 HB VAL 12 12.789 -3.957 5.637 35 1HG1 VAL 12 1HG1 VAL 12 10.248 -4.635 7.149 36 2HG1 VAL 12 2HG1 VAL 12 10.499 -3.189 6.179 37 3HG1 VAL 12 3HG1 VAL 12 11.449 -3.439 7.654 38 1HG2 VAL 12 1HG2 VAL 12 13.542 -6.119 6.369 39 2HG2 VAL 12 2HG2 VAL 12 12.012 -6.380 7.214 40 3HG2 VAL 12 3HG2 VAL 12 13.110 -5.116 7.763 41 H THR 13 H THR 13 9.049 -5.506 4.890 42 HA THR 13 HA THR 13 8.421 -3.100 3.376 43 HB THR 13 HB THR 13 7.326 -5.873 3.374 44 HG1 THR 13 HG1 THR 13 8.978 -4.598 1.819 45 1HG2 THR 13 1HG2 THR 13 6.072 -3.420 2.118 46 2HG2 THR 13 2HG2 THR 13 5.456 -4.324 3.506 47 3HG2 THR 13 3HG2 THR 13 5.486 -5.081 1.907 48 H THR 14 H THR 14 7.396 -1.793 4.582 49 HA THR 14 HA THR 14 6.692 -2.501 7.257 50 HB THR 14 HB THR 14 6.337 0.064 5.781 51 HG1 THR 14 HG1 THR 14 8.450 -0.384 5.589 52 1HG2 THR 14 1HG2 THR 14 6.638 1.052 8.106 53 2HG2 THR 14 2HG2 THR 14 6.617 -0.610 8.730 54 3HG2 THR 14 3HG2 THR 14 5.205 0.038 7.928 55 H VAL 15 H VAL 15 4.700 -2.545 8.000 56 HA VAL 15 HA VAL 15 2.478 -2.186 6.128 57 HB VAL 15 HB VAL 15 2.826 -4.080 8.432 58 1HG1 VAL 15 1HG1 VAL 15 0.318 -3.468 6.836 59 2HG1 VAL 15 2HG1 VAL 15 0.592 -3.061 8.532 60 3HG1 VAL 15 3HG1 VAL 15 0.490 -4.755 8.036 61 1HG2 VAL 15 1HG2 VAL 15 3.743 -4.831 6.351 62 2HG2 VAL 15 2HG2 VAL 15 2.249 -4.369 5.533 63 3HG2 VAL 15 3HG2 VAL 15 2.218 -5.737 6.647 64 H LEU 16 H LEU 16 0.952 -0.780 6.748 65 HA LEU 16 HA LEU 16 1.193 0.095 9.479 66 1HB LEU 16 1HB LEU 16 1.944 1.824 7.911 67 2HB LEU 16 2HB LEU 16 0.357 1.795 7.158 68 HG LEU 16 HG LEU 16 -0.600 2.359 9.404 69 1HD1 LEU 16 1HD1 LEU 16 1.256 1.749 10.797 70 2HD1 LEU 16 2HD1 LEU 16 0.880 3.458 10.987 71 3HD1 LEU 16 3HD1 LEU 16 2.269 2.961 10.020 72 1HD2 LEU 16 1HD2 LEU 16 -0.387 3.891 7.630 73 2HD2 LEU 16 2HD2 LEU 16 1.266 4.301 8.170 74 3HD2 LEU 16 3HD2 LEU 16 -0.156 4.626 9.232 75 H ILE 17 H ILE 17 -0.427 -0.368 10.561 76 HA ILE 17 HA ILE 17 -2.995 -0.956 9.294 77 HB ILE 17 HB ILE 17 -1.546 -1.885 11.708 78 1HG1 ILE 17 1HG1 ILE 17 -2.021 -3.297 9.759 79 2HG1 ILE 17 2HG1 ILE 17 -2.705 -3.953 11.246 80 1HG2 ILE 17 1HG2 ILE 17 -3.589 -2.446 12.974 81 2HG2 ILE 17 2HG2 ILE 17 -4.535 -1.518 11.805 82 3HG2 ILE 17 3HG2 ILE 17 -3.360 -0.693 12.830 83 1HD1 ILE 17 1HD1 ILE 17 -4.145 -2.575 9.004 84 2HD1 ILE 17 2HD1 ILE 17 -4.805 -2.728 10.597 85 3HD1 ILE 17 3HD1 ILE 17 -4.432 -4.195 9.680 86 H ARG 18 H ARG 18 -4.616 0.262 9.494 87 HA ARG 18 HA ARG 18 -4.492 2.451 11.448 88 1HB ARG 18 1HB ARG 18 -5.740 2.229 8.727 89 2HB ARG 18 2HB ARG 18 -6.573 3.174 9.948 90 1HG ARG 18 1HG ARG 18 -5.187 4.548 8.437 91 2HG ARG 18 2HG ARG 18 -4.733 4.689 10.127 92 1HD ARG 18 1HD ARG 18 -2.794 4.602 8.605 93 2HD ARG 18 2HD ARG 18 -2.806 3.303 9.782 94 HE ARG 18 HE ARG 18 -3.317 1.774 8.084 95 1HH1 ARG 18 1HH1 ARG 18 -2.975 5.008 6.660 96 2HH1 ARG 18 2HH1 ARG 18 -2.310 4.466 5.200 97 1HH2 ARG 18 1HH2 ARG 18 -2.384 1.005 6.067 98 2HH2 ARG 18 2HH2 ARG 18 -1.971 2.091 4.836 99 H ARG 19 H ARG 19 -5.293 1.511 13.132 100 HA ARG 19 HA ARG 19 -7.749 -0.026 12.838 101 1HB ARG 19 1HB ARG 19 -5.896 -1.189 13.844 102 2HB ARG 19 2HB ARG 19 -5.754 0.066 15.066 103 1HG ARG 19 1HG ARG 19 -7.792 -0.520 16.041 104 2HG ARG 19 2HG ARG 19 -8.218 -1.613 14.712 105 1HD ARG 19 1HD ARG 19 -6.196 -2.951 15.324 106 2HD ARG 19 2HD ARG 19 -6.024 -1.943 16.758 107 HE ARG 19 HE ARG 19 -8.609 -3.006 16.436 108 1HH1 ARG 19 1HH1 ARG 19 -5.479 -3.549 17.879 109 2HH1 ARG 19 2HH1 ARG 19 -5.934 -4.945 18.723 110 1HH2 ARG 19 1HH2 ARG 19 -9.280 -4.934 17.580 111 2HH2 ARG 19 2HH2 ARG 19 -8.145 -5.800 18.515 112 HA PRO 20 HA PRO 20 -9.689 3.757 14.497 113 1HB PRO 20 1HB PRO 20 -12.028 1.919 14.399 114 2HB PRO 20 2HB PRO 20 -11.876 3.573 13.797 115 1HG PRO 20 1HG PRO 20 -11.857 1.561 12.092 116 2HG PRO 20 2HG PRO 20 -10.727 2.913 11.885 117 1HD PRO 20 1HD PRO 20 -10.215 0.173 12.978 118 2HD PRO 20 2HD PRO 20 -9.216 1.162 11.885 119 H ASP 21 H ASP 21 -10.342 0.485 15.753 120 HA ASP 21 HA ASP 21 -9.914 1.195 18.468 121 1HB ASP 21 1HB ASP 21 -12.221 2.175 18.218 122 2HB ASP 21 2HB ASP 21 -12.801 0.588 17.693 123 H LEU 22 H LEU 22 -10.786 -0.770 19.818 124 HA LEU 22 HA LEU 22 -9.512 -3.087 18.881 125 1HB LEU 22 1HB LEU 22 -11.326 -2.652 21.205 126 2HB LEU 22 2HB LEU 22 -10.223 -4.000 20.975 127 HG LEU 22 HG LEU 22 -9.476 -1.128 21.257 128 1HD1 LEU 22 1HD1 LEU 22 -9.113 -3.524 23.033 129 2HD1 LEU 22 2HD1 LEU 22 -10.206 -2.163 23.339 130 3HD1 LEU 22 3HD1 LEU 22 -8.446 -1.925 23.380 131 1HD2 LEU 22 1HD2 LEU 22 -7.997 -2.142 19.798 132 2HD2 LEU 22 2HD2 LEU 22 -7.803 -3.589 20.782 133 3HD2 LEU 22 3HD2 LEU 22 -7.118 -2.034 21.312 134 H ARG 23 H ARG 23 -12.728 -1.892 18.859 135 HA ARG 23 HA ARG 23 -14.247 -4.215 18.401 136 1HB ARG 23 1HB ARG 23 -14.607 -1.446 17.241 137 2HB ARG 23 2HB ARG 23 -15.802 -2.723 17.120 138 1HG ARG 23 1HG ARG 23 -14.803 -1.705 19.761 139 2HG ARG 23 2HG ARG 23 -16.142 -0.951 18.901 140 1HD ARG 23 1HD ARG 23 -16.959 -2.511 20.597 141 2HD ARG 23 2HD ARG 23 -17.384 -3.055 18.985 142 HE ARG 23 HE ARG 23 -15.838 -4.790 19.166 143 1HH1 ARG 23 1HH1 ARG 23 -16.174 -2.941 22.189 144 2HH1 ARG 23 2HH1 ARG 23 -15.504 -4.179 23.152 145 1HH2 ARG 23 1HH2 ARG 23 -14.888 -6.445 20.510 146 2HH2 ARG 23 2HH2 ARG 23 -14.715 -6.190 22.188 147 H TYR 24 H TYR 24 -11.915 -2.685 16.467 148 HA TYR 24 HA TYR 24 -12.692 -4.157 14.057 149 1HB TYR 24 1HB TYR 24 -10.737 -1.864 14.472 150 2HB TYR 24 2HB TYR 24 -11.023 -2.675 12.943 151 HD1 TYR 24 HD1 TYR 24 -12.604 -1.805 11.472 152 HD2 TYR 24 HD2 TYR 24 -12.783 -0.669 15.561 153 HE1 TYR 24 HE1 TYR 24 -14.341 -0.173 10.926 154 HE2 TYR 24 HE2 TYR 24 -14.536 0.969 15.034 155 HH TYR 24 HH TYR 24 -16.194 0.992 12.106 156 H GLN 25 H GLN 25 -11.551 -5.981 13.911 157 HA GLN 25 HA GLN 25 -9.147 -6.192 15.557 158 1HB GLN 25 1HB GLN 25 -9.333 -8.640 15.201 159 2HB GLN 25 2HB GLN 25 -10.775 -7.957 15.926 160 1HG GLN 25 1HG GLN 25 -11.833 -9.163 14.358 161 2HG GLN 25 2HG GLN 25 -11.425 -7.719 13.421 162 1HE2 GLN 25 1HE2 GLN 25 -9.043 -10.180 14.317 163 2HE2 GLN 25 2HE2 GLN 25 -8.798 -10.722 12.704 164 H LEU 26 H LEU 26 -7.417 -7.647 14.433 165 HA LEU 26 HA LEU 26 -6.381 -5.872 12.468 166 1HB LEU 26 1HB LEU 26 -5.280 -8.616 13.060 167 2HB LEU 26 2HB LEU 26 -4.426 -7.230 12.425 168 HG LEU 26 HG LEU 26 -3.629 -7.293 14.554 169 1HD1 LEU 26 1HD1 LEU 26 -6.064 -5.618 14.868 170 2HD1 LEU 26 2HD1 LEU 26 -4.490 -5.089 14.243 171 3HD1 LEU 26 3HD1 LEU 26 -4.667 -5.576 15.944 172 1HD2 LEU 26 1HD2 LEU 26 -4.965 -9.178 15.355 173 2HD2 LEU 26 2HD2 LEU 26 -6.333 -8.098 15.646 174 3HD2 LEU 26 3HD2 LEU 26 -4.852 -7.910 16.571 175 H GLY 27 H GLY 27 -7.080 -9.328 12.145 176 1HA GLY 27 1HA GLY 27 -8.476 -10.110 10.365 177 2HA GLY 27 2HA GLY 27 -7.987 -8.711 9.422 178 H PHE 28 H PHE 28 -5.780 -10.720 11.246 179 HA PHE 28 HA PHE 28 -5.121 -12.321 8.985 180 1HB PHE 28 1HB PHE 28 -2.785 -11.668 8.731 181 2HB PHE 28 2HB PHE 28 -3.767 -10.256 8.477 182 HD1 PHE 28 HD1 PHE 28 -1.303 -11.857 10.605 183 HD2 PHE 28 HD2 PHE 28 -3.718 -8.426 10.116 184 HE1 PHE 28 HE1 PHE 28 0.085 -10.654 12.269 185 HE2 PHE 28 HE2 PHE 28 -2.352 -7.204 11.753 186 HZ PHE 28 HZ PHE 28 -0.447 -8.317 12.830 187 H SER 29 H SER 29 -3.570 -13.955 9.565 188 HA SER 29 HA SER 29 -3.598 -14.459 12.463 189 1HB SER 29 1HB SER 29 -3.758 -16.462 10.211 190 2HB SER 29 2HB SER 29 -3.856 -16.827 11.939 191 HG SER 29 HG SER 29 -5.640 -15.015 11.601 192 H VAL 30 H VAL 30 -1.700 -15.158 13.405 193 HA VAL 30 HA VAL 30 0.638 -15.316 11.684 194 HB VAL 30 HB VAL 30 0.073 -13.205 13.700 195 1HG1 VAL 30 1HG1 VAL 30 2.867 -14.329 13.416 196 2HG1 VAL 30 2HG1 VAL 30 1.886 -14.366 14.898 197 3HG1 VAL 30 3HG1 VAL 30 2.387 -12.816 14.186 198 1HG2 VAL 30 1HG2 VAL 30 0.265 -12.751 11.361 199 2HG2 VAL 30 2HG2 VAL 30 1.890 -13.438 11.344 200 3HG2 VAL 30 3HG2 VAL 30 1.577 -11.969 12.251 201 H GLN 31 H GLN 31 1.939 -16.861 12.088 202 HA GLN 31 HA GLN 31 1.941 -18.071 14.738 203 1HB GLN 31 1HB GLN 31 2.505 -20.262 13.599 204 2HB GLN 31 2HB GLN 31 0.867 -19.691 13.347 205 1HG GLN 31 1HG GLN 31 1.483 -18.890 11.131 206 2HG GLN 31 2HG GLN 31 3.138 -19.436 11.388 207 1HE2 GLN 31 1HE2 GLN 31 3.011 -20.814 9.620 208 2HE2 GLN 31 2HE2 GLN 31 2.137 -22.305 9.675 209 H ASN 32 H ASN 32 3.713 -17.784 15.722 210 HA ASN 32 HA ASN 32 5.842 -17.449 16.325 211 1HB ASN 32 1HB ASN 32 6.566 -18.654 13.639 212 2HB ASN 32 2HB ASN 32 7.704 -18.352 14.946 213 1HD2 ASN 32 1HD2 ASN 32 7.069 -20.854 13.688 214 2HD2 ASN 32 2HD2 ASN 32 6.452 -21.897 14.928 215 H GLY 33 H GLY 33 4.393 -15.692 14.161 216 1HA GLY 33 1HA GLY 33 5.036 -13.319 14.147 217 2HA GLY 33 2HA GLY 33 6.679 -13.865 13.807 218 H ILE 34 H ILE 34 5.103 -16.011 12.123 219 HA ILE 34 HA ILE 34 5.199 -14.335 9.756 220 HB ILE 34 HB ILE 34 5.247 -17.377 9.951 221 1HG1 ILE 34 1HG1 ILE 34 7.507 -17.110 8.821 222 2HG1 ILE 34 2HG1 ILE 34 7.368 -15.386 9.085 223 1HG2 ILE 34 1HG2 ILE 34 5.325 -15.625 7.511 224 2HG2 ILE 34 2HG2 ILE 34 4.017 -16.717 7.970 225 3HG2 ILE 34 3HG2 ILE 34 5.595 -17.372 7.501 226 1HD1 ILE 34 1HD1 ILE 34 7.546 -17.512 11.217 227 2HD1 ILE 34 2HD1 ILE 34 7.384 -15.780 11.503 228 3HD1 ILE 34 3HD1 ILE 34 8.828 -16.408 10.709 229 H ILE 35 H ILE 35 3.549 -13.774 8.699 230 HA ILE 35 HA ILE 35 0.875 -14.219 9.492 231 HB ILE 35 HB ILE 35 2.017 -13.077 6.934 232 1HG1 ILE 35 1HG1 ILE 35 0.943 -11.620 9.345 233 2HG1 ILE 35 2HG1 ILE 35 2.642 -12.025 9.165 234 1HG2 ILE 35 1HG2 ILE 35 -0.785 -12.890 8.096 235 2HG2 ILE 35 2HG2 ILE 35 -0.322 -13.729 6.611 236 3HG2 ILE 35 3HG2 ILE 35 -0.201 -11.982 6.699 237 1HD1 ILE 35 1HD1 ILE 35 1.120 -10.470 7.147 238 2HD1 ILE 35 2HD1 ILE 35 2.880 -10.618 7.326 239 3HD1 ILE 35 3HD1 ILE 35 1.931 -9.717 8.520 240 H CYS 36 H CYS 36 -0.173 -16.061 9.133 241 HA CYS 36 HA CYS 36 0.660 -17.757 6.904 242 1HB CYS 36 1HB CYS 36 0.626 -18.711 9.202 243 2HB CYS 36 2HB CYS 36 -1.113 -18.459 9.251 244 HG CYS 36 HG CYS 36 0.575 -21.015 8.131 245 H SER 37 H SER 37 -2.016 -15.781 7.967 246 HA SER 37 HA SER 37 -3.249 -16.149 5.429 247 1HB SER 37 1HB SER 37 -5.498 -16.730 6.466 248 2HB SER 37 2HB SER 37 -4.296 -18.023 6.442 249 HG SER 37 HG SER 37 -5.481 -16.743 8.526 250 H LEU 38 H LEU 38 -4.851 -14.590 4.960 251 HA LEU 38 HA LEU 38 -4.921 -12.270 6.755 252 1HB LEU 38 1HB LEU 38 -3.362 -11.831 4.950 253 2HB LEU 38 2HB LEU 38 -4.497 -12.426 3.769 254 HG LEU 38 HG LEU 38 -5.911 -10.444 4.094 255 1HD1 LEU 38 1HD1 LEU 38 -3.768 -9.514 6.004 256 2HD1 LEU 38 2HD1 LEU 38 -5.395 -10.029 6.465 257 3HD1 LEU 38 3HD1 LEU 38 -5.173 -8.600 5.469 258 1HD2 LEU 38 1HD2 LEU 38 -4.417 -8.822 3.152 259 2HD2 LEU 38 2HD2 LEU 38 -4.051 -10.425 2.474 260 3HD2 LEU 38 3HD2 LEU 38 -3.049 -9.734 3.766 261 H MET 39 H MET 39 -6.903 -11.113 6.688 262 HA MET 39 HA MET 39 -9.117 -12.650 5.557 263 1HB MET 39 1HB MET 39 -9.058 -12.287 8.023 264 2HB MET 39 2HB MET 39 -9.181 -10.559 7.730 265 1HG MET 39 1HG MET 39 -11.345 -11.381 8.289 266 2HG MET 39 2HG MET 39 -11.338 -10.965 6.576 267 1HE MET 39 1HE MET 39 -13.595 -12.360 6.268 268 2HE MET 39 2HE MET 39 -13.567 -12.764 7.985 269 3HE MET 39 3HE MET 39 -13.778 -14.037 6.782 270 H ARG 40 H ARG 40 -10.091 -11.892 3.913 271 HA ARG 40 HA ARG 40 -9.632 -9.510 2.561 272 1HB ARG 40 1HB ARG 40 -10.493 -11.388 1.442 273 2HB ARG 40 2HB ARG 40 -11.836 -11.530 2.574 274 1HG ARG 40 1HG ARG 40 -12.630 -10.791 0.422 275 2HG ARG 40 2HG ARG 40 -12.803 -9.486 1.590 276 1HD ARG 40 1HD ARG 40 -11.969 -8.731 -0.607 277 2HD ARG 40 2HD ARG 40 -10.858 -8.396 0.720 278 HE ARG 40 HE ARG 40 -9.343 -9.697 -0.197 279 1HH1 ARG 40 1HH1 ARG 40 -12.434 -10.420 -1.797 280 2HH1 ARG 40 2HH1 ARG 40 -11.812 -11.505 -2.928 281 1HH2 ARG 40 1HH2 ARG 40 -8.415 -11.184 -1.896 282 2HH2 ARG 40 2HH2 ARG 40 -9.491 -11.898 -3.011 283 H GLY 41 H GLY 41 -10.450 -7.520 2.827 284 1HA GLY 41 1HA GLY 41 -11.981 -5.858 3.381 285 2HA GLY 41 2HA GLY 41 -13.044 -7.091 4.047 286 H GLY 42 H GLY 42 -9.999 -7.538 5.245 287 1HA GLY 42 1HA GLY 42 -10.780 -6.323 7.765 288 2HA GLY 42 2HA GLY 42 -9.437 -7.444 7.508 289 H ILE 43 H ILE 43 -9.195 -5.053 8.940 290 HA ILE 43 HA ILE 43 -8.179 -2.990 7.350 291 HB ILE 43 HB ILE 43 -6.717 -2.466 9.446 292 1HG1 ILE 43 1HG1 ILE 43 -8.793 -4.276 10.672 293 2HG1 ILE 43 2HG1 ILE 43 -7.066 -4.605 10.576 294 1HG2 ILE 43 1HG2 ILE 43 -9.701 -2.113 9.396 295 2HG2 ILE 43 2HG2 ILE 43 -8.428 -1.061 8.726 296 3HG2 ILE 43 3HG2 ILE 43 -8.560 -1.274 10.463 297 1HD1 ILE 43 1HD1 ILE 43 -8.348 -2.345 12.099 298 2HD1 ILE 43 2HD1 ILE 43 -6.619 -2.702 12.037 299 3HD1 ILE 43 3HD1 ILE 43 -7.731 -3.842 12.793 300 H ALA 44 H ALA 44 -6.678 -5.899 8.481 301 HA ALA 44 HA ALA 44 -4.005 -5.259 8.045 302 1HB ALA 44 1HB ALA 44 -3.650 -7.636 8.057 303 2HB ALA 44 2HB ALA 44 -5.355 -7.907 7.702 304 3HB ALA 44 3HB ALA 44 -4.888 -7.198 9.244 305 H GLU 45 H GLU 45 -6.472 -6.407 5.851 306 HA GLU 45 HA GLU 45 -4.755 -6.974 3.685 307 1HB GLU 45 1HB GLU 45 -7.024 -7.885 3.820 308 2HB GLU 45 2HB GLU 45 -7.701 -6.268 3.719 309 1HG GLU 45 1HG GLU 45 -6.865 -6.040 1.458 310 2HG GLU 45 2HG GLU 45 -6.107 -7.627 1.562 311 H ARG 46 H ARG 46 -6.476 -4.169 4.685 312 HA ARG 46 HA ARG 46 -5.362 -2.589 2.497 313 1HB ARG 46 1HB ARG 46 -7.395 -1.950 4.614 314 2HB ARG 46 2HB ARG 46 -6.759 -0.715 3.522 315 1HG ARG 46 1HG ARG 46 -7.565 -1.826 1.624 316 2HG ARG 46 2HG ARG 46 -7.887 -3.295 2.533 317 1HD ARG 46 1HD ARG 46 -9.722 -2.163 3.694 318 2HD ARG 46 2HD ARG 46 -9.382 -0.682 2.785 319 HE ARG 46 HE ARG 46 -10.565 -1.529 1.098 320 1HH1 ARG 46 1HH1 ARG 46 -9.678 -4.326 3.069 321 2HH1 ARG 46 2HH1 ARG 46 -9.908 -5.503 1.850 322 1HH2 ARG 46 1HH2 ARG 46 -10.916 -3.128 -0.616 323 2HH2 ARG 46 2HH2 ARG 46 -10.683 -4.794 -0.309 324 H GLY 47 H GLY 47 -4.240 -3.490 5.402 325 1HA GLY 47 1HA GLY 47 -2.766 -1.067 5.952 326 2HA GLY 47 2HA GLY 47 -2.692 -2.563 6.859 327 H GLY 48 H GLY 48 -2.386 -3.960 4.138 328 1HA GLY 48 1HA GLY 48 -0.626 -4.020 2.484 329 2HA GLY 48 2HA GLY 48 0.429 -3.240 3.653 330 H VAL 49 H VAL 49 -1.503 -5.565 5.116 331 HA VAL 49 HA VAL 49 0.697 -7.232 5.752 332 HB VAL 49 HB VAL 49 -2.262 -7.403 6.168 333 1HG1 VAL 49 1HG1 VAL 49 -0.176 -9.127 7.485 334 2HG1 VAL 49 2HG1 VAL 49 -1.236 -9.697 6.186 335 3HG1 VAL 49 3HG1 VAL 49 -1.915 -9.237 7.753 336 1HG2 VAL 49 1HG2 VAL 49 -1.272 -5.650 7.405 337 2HG2 VAL 49 2HG2 VAL 49 -0.025 -6.736 8.035 338 3HG2 VAL 49 3HG2 VAL 49 -1.698 -6.936 8.538 339 H ARG 50 H ARG 50 1.193 -9.257 4.949 340 HA ARG 50 HA ARG 50 -0.445 -10.537 2.915 341 1HB ARG 50 1HB ARG 50 2.306 -9.427 2.405 342 2HB ARG 50 2HB ARG 50 1.702 -10.821 1.527 343 1HG ARG 50 1HG ARG 50 0.282 -8.176 1.611 344 2HG ARG 50 2HG ARG 50 1.433 -8.638 0.349 345 1HD ARG 50 1HD ARG 50 0.054 -10.527 -0.254 346 2HD ARG 50 2HD ARG 50 -1.059 -10.187 1.061 347 HE ARG 50 HE ARG 50 -1.394 -8.004 -0.154 348 1HH1 ARG 50 1HH1 ARG 50 -0.593 -11.027 -1.889 349 2HH1 ARG 50 2HH1 ARG 50 -1.535 -10.672 -3.245 350 1HH2 ARG 50 1HH2 ARG 50 -2.744 -7.544 -2.018 351 2HH2 ARG 50 2HH2 ARG 50 -2.832 -8.661 -3.306 352 H VAL 51 H VAL 51 -0.232 -12.541 2.742 353 HA VAL 51 HA VAL 51 0.765 -14.020 4.930 354 HB VAL 51 HB VAL 51 -0.362 -14.676 2.256 355 1HG1 VAL 51 1HG1 VAL 51 -0.687 -17.027 3.084 356 2HG1 VAL 51 2HG1 VAL 51 0.197 -16.606 4.554 357 3HG1 VAL 51 3HG1 VAL 51 1.025 -16.610 2.998 358 1HG2 VAL 51 1HG2 VAL 51 -1.879 -13.624 3.754 359 2HG2 VAL 51 2HG2 VAL 51 -1.510 -14.815 5.004 360 3HG2 VAL 51 3HG2 VAL 51 -2.351 -15.313 3.530 361 H GLY 52 H GLY 52 2.514 -15.308 5.057 362 1HA GLY 52 1HA GLY 52 4.522 -16.313 4.348 363 2HA GLY 52 2HA GLY 52 4.351 -15.500 2.791 364 H HIS 53 H HIS 53 3.781 -13.534 5.419 365 HA HIS 53 HA HIS 53 6.448 -12.397 5.157 366 1HB HIS 53 1HB HIS 53 3.812 -11.071 5.573 367 2HB HIS 53 2HB HIS 53 5.271 -10.359 6.258 368 HD1 HIS 53 HD1 HIS 53 5.351 -8.294 4.713 369 HD2 HIS 53 HD2 HIS 53 5.219 -11.919 2.671 370 HE1 HIS 53 HE1 HIS 53 5.715 -7.723 2.318 371 HE2 HIS 53 HE2 HIS 53 5.191 -9.859 1.116 372 H ARG 54 H ARG 54 7.650 -12.125 6.761 373 HA ARG 54 HA ARG 54 6.939 -13.190 9.389 374 1HB ARG 54 1HB ARG 54 8.983 -14.050 8.528 375 2HB ARG 54 2HB ARG 54 9.473 -12.473 7.944 376 1HG ARG 54 1HG ARG 54 9.849 -11.754 10.263 377 2HG ARG 54 2HG ARG 54 9.396 -13.369 10.821 378 1HD ARG 54 1HD ARG 54 11.275 -14.367 9.845 379 2HD ARG 54 2HD ARG 54 11.546 -13.005 8.763 380 HE ARG 54 HE ARG 54 11.854 -12.029 11.306 381 1HH1 ARG 54 1HH1 ARG 54 13.402 -14.681 9.529 382 2HH1 ARG 54 2HH1 ARG 54 14.980 -14.289 10.011 383 1HH2 ARG 54 1HH2 ARG 54 14.123 -11.514 12.056 384 2HH2 ARG 54 2HH2 ARG 54 15.360 -12.502 11.518 385 H ILE 55 H ILE 55 6.093 -11.688 10.744 386 HA ILE 55 HA ILE 55 6.667 -8.906 10.386 387 HB ILE 55 HB ILE 55 5.306 -10.260 12.721 388 1HG1 ILE 55 1HG1 ILE 55 4.137 -9.079 10.191 389 2HG1 ILE 55 2HG1 ILE 55 4.080 -10.762 10.703 390 1HG2 ILE 55 1HG2 ILE 55 4.349 -8.025 13.133 391 2HG2 ILE 55 2HG2 ILE 55 5.297 -7.381 11.799 392 3HG2 ILE 55 3HG2 ILE 55 6.109 -8.010 13.231 393 1HD1 ILE 55 1HD1 ILE 55 2.882 -8.446 12.096 394 2HD1 ILE 55 2HD1 ILE 55 2.762 -10.140 12.601 395 3HD1 ILE 55 3HD1 ILE 55 1.982 -9.597 11.085 396 H ILE 56 H ILE 56 8.336 -7.927 11.142 397 HA ILE 56 HA ILE 56 9.763 -9.201 13.293 398 HB ILE 56 HB ILE 56 11.754 -8.035 12.638 399 1HG1 ILE 56 1HG1 ILE 56 10.116 -6.924 10.363 400 2HG1 ILE 56 2HG1 ILE 56 10.636 -6.013 11.784 401 1HG2 ILE 56 1HG2 ILE 56 10.376 -9.400 10.318 402 2HG2 ILE 56 2HG2 ILE 56 11.269 -10.199 11.604 403 3HG2 ILE 56 3HG2 ILE 56 12.114 -9.146 10.468 404 1HD1 ILE 56 1HD1 ILE 56 12.375 -7.344 9.794 405 2HD1 ILE 56 2HD1 ILE 56 12.893 -6.480 11.245 406 3HD1 ILE 56 3HD1 ILE 56 12.080 -5.590 9.925 407 H GLU 57 H GLU 57 7.706 -6.645 12.790 408 HA GLU 57 HA GLU 57 8.376 -5.484 15.370 409 1HB GLU 57 1HB GLU 57 9.950 -4.220 13.967 410 2HB GLU 57 2HB GLU 57 8.656 -3.845 12.836 411 1HG GLU 57 1HG GLU 57 7.500 -2.624 14.663 412 2HG GLU 57 2HG GLU 57 8.905 -2.882 15.681 413 H ILE 58 H ILE 58 6.789 -4.474 16.278 414 HA ILE 58 HA ILE 58 4.428 -3.752 14.731 415 HB ILE 58 HB ILE 58 4.416 -5.352 17.287 416 1HG1 ILE 58 1HG1 ILE 58 3.185 -6.168 14.659 417 2HG1 ILE 58 2HG1 ILE 58 4.840 -6.586 15.097 418 1HG2 ILE 58 1HG2 ILE 58 2.139 -4.238 15.618 419 2HG2 ILE 58 2HG2 ILE 58 2.614 -3.637 17.195 420 3HG2 ILE 58 3HG2 ILE 58 1.912 -5.259 17.044 421 1HD1 ILE 58 1HD1 ILE 58 2.358 -7.359 16.612 422 2HD1 ILE 58 2HD1 ILE 58 4.042 -7.725 17.035 423 3HD1 ILE 58 3HD1 ILE 58 3.348 -8.399 15.563 424 H ASN 59 H ASN 59 4.072 -1.739 15.230 425 HA ASN 59 HA ASN 59 3.558 0.155 16.371 426 1HB ASN 59 1HB ASN 59 2.513 -1.496 17.987 427 2HB ASN 59 2HB ASN 59 3.984 -1.387 18.940 428 1HD2 ASN 59 1HD2 ASN 59 1.128 0.233 17.878 429 2HD2 ASN 59 2HD2 ASN 59 1.164 1.496 19.059 430 H GLY 60 H GLY 60 6.524 -1.205 16.384 431 1HA GLY 60 1HA GLY 60 8.360 0.467 16.268 432 2HA GLY 60 2HA GLY 60 7.738 1.091 17.794 433 H GLN 61 H GLN 61 7.293 -2.113 18.080 434 HA GLN 61 HA GLN 61 9.980 -2.533 19.179 435 1HB GLN 61 1HB GLN 61 8.972 -4.024 20.834 436 2HB GLN 61 2HB GLN 61 8.286 -2.415 20.957 437 1HG GLN 61 1HG GLN 61 6.318 -3.211 19.685 438 2HG GLN 61 2HG GLN 61 7.015 -4.828 19.691 439 1HE2 GLN 61 1HE2 GLN 61 7.180 -5.931 21.638 440 2HE2 GLN 61 2HE2 GLN 61 6.171 -5.530 22.985 441 H SER 62 H SER 62 11.148 -4.094 18.473 442 HA SER 62 HA SER 62 10.163 -5.613 16.304 443 1HB SER 62 1HB SER 62 12.479 -6.728 16.483 444 2HB SER 62 2HB SER 62 12.436 -5.011 16.109 445 HG SER 62 HG SER 62 13.199 -4.525 18.007 446 H VAL 63 H VAL 63 8.834 -7.262 16.497 447 HA VAL 63 HA VAL 63 8.688 -8.686 19.026 448 HB VAL 63 HB VAL 63 6.462 -9.280 18.261 449 1HG1 VAL 63 1HG1 VAL 63 7.081 -6.329 17.926 450 2HG1 VAL 63 2HG1 VAL 63 6.809 -7.153 19.440 451 3HG1 VAL 63 3HG1 VAL 63 5.485 -7.000 18.277 452 1HG2 VAL 63 1HG2 VAL 63 5.587 -8.453 16.136 453 2HG2 VAL 63 2HG2 VAL 63 7.021 -9.439 15.856 454 3HG2 VAL 63 3HG2 VAL 63 7.131 -7.676 15.790 455 H VAL 64 H VAL 64 10.494 -8.995 16.673 456 HA VAL 64 HA VAL 64 9.829 -11.493 15.485 457 HB VAL 64 HB VAL 64 11.247 -9.529 14.616 458 1HG1 VAL 64 1HG1 VAL 64 13.660 -9.774 14.857 459 2HG1 VAL 64 2HG1 VAL 64 13.358 -10.993 16.102 460 3HG1 VAL 64 3HG1 VAL 64 12.814 -9.337 16.349 461 1HG2 VAL 64 1HG2 VAL 64 10.790 -11.394 13.338 462 2HG2 VAL 64 2HG2 VAL 64 12.006 -12.392 14.169 463 3HG2 VAL 64 3HG2 VAL 64 12.501 -11.029 13.136 464 H ALA 65 H ALA 65 11.047 -10.584 18.421 465 HA ALA 65 HA ALA 65 12.152 -13.252 18.981 466 1HB ALA 65 1HB ALA 65 13.557 -12.141 20.685 467 2HB ALA 65 2HB ALA 65 12.892 -10.581 20.183 468 3HB ALA 65 3HB ALA 65 13.870 -11.520 19.057 469 H THR 66 H THR 66 9.406 -11.820 19.116 470 HA THR 66 HA THR 66 8.841 -12.031 21.924 471 HB THR 66 HB THR 66 7.431 -10.770 19.537 472 HG1 THR 66 HG1 THR 66 8.946 -9.750 21.697 473 1HG2 THR 66 1HG2 THR 66 6.796 -10.537 22.482 474 2HG2 THR 66 2HG2 THR 66 5.869 -11.476 21.302 475 3HG2 THR 66 3HG2 THR 66 5.968 -9.724 21.145 476 HA PRO 67 HA PRO 67 6.950 -15.965 20.823 477 1HB PRO 67 1HB PRO 67 5.405 -16.319 23.045 478 2HB PRO 67 2HB PRO 67 7.147 -16.598 23.029 479 1HG PRO 67 1HG PRO 67 5.617 -14.234 24.013 480 2HG PRO 67 2HG PRO 67 7.023 -15.028 24.728 481 1HD PRO 67 1HD PRO 67 7.215 -12.729 23.308 482 2HD PRO 67 2HD PRO 67 8.513 -13.940 23.342 483 H HIS 68 H HIS 68 4.935 -16.882 20.346 484 HA HIS 68 HA HIS 68 3.181 -15.579 18.746 485 1HB HIS 68 1HB HIS 68 3.279 -18.004 18.862 486 2HB HIS 68 2HB HIS 68 2.648 -17.995 20.496 487 HD1 HIS 68 HD1 HIS 68 1.642 -18.472 17.088 488 HD2 HIS 68 HD2 HIS 68 -0.226 -17.098 20.530 489 HE1 HIS 68 HE1 HIS 68 -0.829 -18.575 16.610 490 HE2 HIS 68 HE2 HIS 68 -1.884 -18.104 18.845 491 H GLU 69 H GLU 69 2.564 -16.342 22.144 492 HA GLU 69 HA GLU 69 -0.016 -15.356 22.337 493 1HB GLU 69 1HB GLU 69 1.184 -16.750 24.015 494 2HB GLU 69 2HB GLU 69 2.108 -15.287 24.393 495 1HG GLU 69 1HG GLU 69 0.162 -14.162 25.190 496 2HG GLU 69 2HG GLU 69 -0.864 -15.529 24.742 497 H LYS 70 H LYS 70 3.058 -13.834 22.984 498 HA LYS 70 HA LYS 70 2.036 -11.408 23.952 499 1HB LYS 70 1HB LYS 70 4.610 -12.539 23.376 500 2HB LYS 70 2HB LYS 70 4.501 -10.905 22.776 501 1HG LYS 70 1HG LYS 70 5.370 -10.969 25.043 502 2HG LYS 70 2HG LYS 70 3.833 -10.090 24.926 503 1HD LYS 70 1HD LYS 70 2.676 -12.091 25.767 504 2HD LYS 70 2HD LYS 70 4.239 -12.897 25.926 505 1HE LYS 70 1HE LYS 70 4.986 -11.187 27.456 506 2HE LYS 70 2HE LYS 70 3.455 -10.337 27.261 507 1HZ LYS 70 1HZ LYS 70 3.731 -13.092 28.316 508 2HZ LYS 70 2HZ LYS 70 2.302 -12.120 28.266 509 3HZ LYS 70 3HZ LYS 70 3.565 -11.713 29.289 510 H ILE 71 H ILE 71 3.425 -12.257 20.826 511 HA ILE 71 HA ILE 71 3.038 -9.881 19.482 512 HB ILE 71 HB ILE 71 2.732 -12.685 18.341 513 1HG1 ILE 71 1HG1 ILE 71 5.153 -10.886 18.539 514 2HG1 ILE 71 2HG1 ILE 71 4.882 -12.366 19.442 515 1HG2 ILE 71 1HG2 ILE 71 3.309 -11.702 16.200 516 2HG2 ILE 71 2HG2 ILE 71 3.410 -10.115 16.955 517 3HG2 ILE 71 3HG2 ILE 71 1.840 -10.937 16.838 518 1HD1 ILE 71 1HD1 ILE 71 5.201 -12.176 16.458 519 2HD1 ILE 71 2HD1 ILE 71 4.996 -13.665 17.393 520 3HD1 ILE 71 3HD1 ILE 71 6.442 -12.671 17.604 521 H VAL 72 H VAL 72 0.759 -12.537 19.949 522 HA VAL 72 HA VAL 72 -1.293 -11.327 18.395 523 HB VAL 72 HB VAL 72 -1.340 -13.651 20.345 524 1HG1 VAL 72 1HG1 VAL 72 -3.573 -12.740 18.518 525 2HG1 VAL 72 2HG1 VAL 72 -3.566 -12.632 20.281 526 3HG1 VAL 72 3HG1 VAL 72 -3.553 -14.212 19.500 527 1HG2 VAL 72 1HG2 VAL 72 -1.447 -13.483 17.351 528 2HG2 VAL 72 2HG2 VAL 72 -1.560 -14.974 18.301 529 3HG2 VAL 72 3HG2 VAL 72 -0.078 -14.011 18.329 530 H HIS 73 H HIS 73 -0.457 -11.256 21.812 531 HA HIS 73 HA HIS 73 -3.009 -10.272 22.670 532 1HB HIS 73 1HB HIS 73 -1.277 -11.533 24.097 533 2HB HIS 73 2HB HIS 73 -0.398 -10.025 24.181 534 HD1 HIS 73 HD1 HIS 73 -1.701 -7.979 25.452 535 HD2 HIS 73 HD2 HIS 73 -3.412 -11.755 25.825 536 HE1 HIS 73 HE1 HIS 73 -3.292 -7.815 27.344 537 HE2 HIS 73 HE2 HIS 73 -4.325 -10.068 27.575 538 H ILE 74 H ILE 74 0.129 -8.925 21.921 539 HA ILE 74 HA ILE 74 -0.374 -6.294 22.648 540 HB ILE 74 HB ILE 74 1.603 -7.603 20.789 541 1HG1 ILE 74 1HG1 ILE 74 2.131 -6.323 23.444 542 2HG1 ILE 74 2HG1 ILE 74 1.458 -7.947 23.352 543 1HG2 ILE 74 1HG2 ILE 74 1.557 -4.737 21.758 544 2HG2 ILE 74 2HG2 ILE 74 1.290 -5.270 20.094 545 3HG2 ILE 74 3HG2 ILE 74 2.869 -5.503 20.853 546 1HD1 ILE 74 1HD1 ILE 74 4.040 -7.046 22.131 547 2HD1 ILE 74 2HD1 ILE 74 3.272 -8.655 22.052 548 3HD1 ILE 74 3HD1 ILE 74 3.820 -8.032 23.612 549 H LEU 75 H LEU 75 -0.517 -8.019 19.531 550 HA LEU 75 HA LEU 75 -1.440 -5.902 17.949 551 1HB LEU 75 1HB LEU 75 -1.879 -8.860 17.721 552 2HB LEU 75 2HB LEU 75 -2.535 -7.734 16.548 553 HG LEU 75 HG LEU 75 0.392 -8.048 17.178 554 1HD1 LEU 75 1HD1 LEU 75 -1.239 -9.059 14.854 555 2HD1 LEU 75 2HD1 LEU 75 -0.508 -10.045 16.122 556 3HD1 LEU 75 3HD1 LEU 75 0.516 -9.153 14.998 557 1HD2 LEU 75 1HD2 LEU 75 -0.214 -5.804 16.380 558 2HD2 LEU 75 2HD2 LEU 75 -1.064 -6.520 15.019 559 3HD2 LEU 75 3HD2 LEU 75 0.686 -6.687 15.147 560 H SER 76 H SER 76 -3.236 -8.165 19.896 561 HA SER 76 HA SER 76 -5.785 -7.348 19.124 562 1HB SER 76 1HB SER 76 -4.891 -8.588 21.726 563 2HB SER 76 2HB SER 76 -6.568 -8.455 21.188 564 HG SER 76 HG SER 76 -4.451 -9.930 19.999 565 H ASN 77 H ASN 77 -3.546 -5.786 21.329 566 HA ASN 77 HA ASN 77 -5.769 -4.159 22.341 567 1HB ASN 77 1HB ASN 77 -3.093 -4.749 23.554 568 2HB ASN 77 2HB ASN 77 -4.086 -3.405 24.110 569 1HD2 ASN 77 1HD2 ASN 77 -3.817 -6.858 23.875 570 2HD2 ASN 77 2HD2 ASN 77 -5.093 -7.225 24.979 571 H ALA 78 H ALA 78 -3.283 -3.874 20.123 572 HA ALA 78 HA ALA 78 -2.953 -1.038 20.629 573 1HB ALA 78 1HB ALA 78 -1.204 -1.136 18.867 574 2HB ALA 78 2HB ALA 78 -1.599 -2.819 18.559 575 3HB ALA 78 3HB ALA 78 -0.922 -2.349 20.107 576 H VAL 79 H VAL 79 -3.907 0.548 19.453 577 HA VAL 79 HA VAL 79 -5.131 -0.219 16.914 578 HB VAL 79 HB VAL 79 -7.180 0.880 17.302 579 1HG1 VAL 79 1HG1 VAL 79 -6.529 -0.329 19.823 580 2HG1 VAL 79 2HG1 VAL 79 -7.204 -1.039 18.351 581 3HG1 VAL 79 3HG1 VAL 79 -8.124 0.161 19.261 582 1HG2 VAL 79 1HG2 VAL 79 -6.296 2.974 18.105 583 2HG2 VAL 79 2HG2 VAL 79 -6.108 2.263 19.736 584 3HG2 VAL 79 3HG2 VAL 79 -7.719 2.395 18.965 585 H GLY 80 H GLY 80 -5.877 2.135 15.878 586 1HA GLY 80 1HA GLY 80 -5.228 4.172 15.106 587 2HA GLY 80 2HA GLY 80 -3.906 4.189 16.274 588 H GLU 81 H GLU 81 -2.594 4.957 14.593 589 HA GLU 81 HA GLU 81 -1.929 3.303 12.376 590 1HB GLU 81 1HB GLU 81 -0.579 5.650 13.672 591 2HB GLU 81 2HB GLU 81 0.127 4.815 12.302 592 1HG GLU 81 1HG GLU 81 -1.747 5.384 10.927 593 2HG GLU 81 2HG GLU 81 -2.596 6.073 12.314 594 H ILE 82 H ILE 82 -1.015 1.504 12.559 595 HA ILE 82 HA ILE 82 0.942 1.028 14.721 596 HB ILE 82 HB ILE 82 -0.931 -0.966 13.415 597 1HG1 ILE 82 1HG1 ILE 82 -0.939 0.028 16.267 598 2HG1 ILE 82 2HG1 ILE 82 -1.956 0.712 15.007 599 1HG2 ILE 82 1HG2 ILE 82 1.040 -1.313 15.689 600 2HG2 ILE 82 2HG2 ILE 82 1.211 -1.977 14.068 601 3HG2 ILE 82 3HG2 ILE 82 -0.091 -2.540 15.118 602 1HD1 ILE 82 1HD1 ILE 82 -1.998 -2.159 15.893 603 2HD1 ILE 82 2HD1 ILE 82 -3.084 -1.373 14.727 604 3HD1 ILE 82 3HD1 ILE 82 -3.117 -0.900 16.416 605 H HIS 83 H HIS 83 2.852 0.908 13.947 606 HA HIS 83 HA HIS 83 3.385 0.237 11.146 607 1HB HIS 83 1HB HIS 83 5.167 1.091 13.432 608 2HB HIS 83 2HB HIS 83 5.788 0.604 11.867 609 HD1 HIS 83 HD1 HIS 83 6.381 2.539 10.506 610 HD2 HIS 83 HD2 HIS 83 3.207 3.373 13.047 611 HE1 HIS 83 HE1 HIS 83 5.774 4.942 10.079 612 HE2 HIS 83 HE2 HIS 83 3.839 5.417 11.636 613 H MET 84 H MET 84 3.877 -1.693 10.541 614 HA MET 84 HA MET 84 5.258 -3.371 12.482 615 1HB MET 84 1HB MET 84 3.396 -4.288 10.320 616 2HB MET 84 2HB MET 84 4.309 -5.330 11.400 617 1HG MET 84 1HG MET 84 2.995 -4.378 13.279 618 2HG MET 84 2HG MET 84 1.985 -3.547 12.086 619 1HE MET 84 1HE MET 84 2.702 -6.155 9.974 620 2HE MET 84 2HE MET 84 1.318 -5.094 9.858 621 3HE MET 84 3HE MET 84 1.079 -6.865 9.950 622 H LYS 85 H LYS 85 6.799 -4.716 11.459 623 HA LYS 85 HA LYS 85 7.501 -3.809 8.761 624 1HB LYS 85 1HB LYS 85 9.374 -4.610 11.013 625 2HB LYS 85 2HB LYS 85 9.876 -4.320 9.361 626 1HG LYS 85 1HG LYS 85 8.550 -2.284 11.037 627 2HG LYS 85 2HG LYS 85 10.315 -2.495 11.003 628 1HD LYS 85 1HD LYS 85 9.914 -2.262 8.413 629 2HD LYS 85 2HD LYS 85 8.420 -1.483 8.930 630 1HE LYS 85 1HE LYS 85 9.761 0.007 10.389 631 2HE LYS 85 2HE LYS 85 11.195 -0.780 9.718 632 1HZ LYS 85 1HZ LYS 85 10.817 1.295 8.570 633 2HZ LYS 85 2HZ LYS 85 9.237 0.890 8.220 634 3HZ LYS 85 3HZ LYS 85 10.498 0.035 7.490 635 H THR 86 H THR 86 7.395 -5.372 7.413 636 HA THR 86 HA THR 86 7.527 -8.082 8.513 637 HB THR 86 HB THR 86 5.861 -8.810 6.943 638 HG1 THR 86 HG1 THR 86 5.993 -6.123 6.016 639 1HG2 THR 86 1HG2 THR 86 4.857 -6.331 8.332 640 2HG2 THR 86 2HG2 THR 86 5.168 -7.857 9.122 641 3HG2 THR 86 3HG2 THR 86 3.894 -7.748 7.891 642 H MET 87 H MET 87 8.587 -9.645 7.341 643 HA MET 87 HA MET 87 10.160 -8.682 5.054 644 1HB MET 87 1HB MET 87 10.643 -10.968 6.999 645 2HB MET 87 2HB MET 87 11.677 -10.566 5.642 646 1HG MET 87 1HG MET 87 12.260 -8.466 6.679 647 2HG MET 87 2HG MET 87 11.162 -8.798 8.018 648 1HE MET 87 1HE MET 87 13.592 -11.348 6.164 649 2HE MET 87 2HE MET 87 15.029 -11.199 7.171 650 3HE MET 87 3HE MET 87 14.490 -9.831 6.201 651 HA PRO 88 HA PRO 88 7.986 -12.068 2.891 652 1HB PRO 88 1HB PRO 88 10.389 -12.723 1.346 653 2HB PRO 88 2HB PRO 88 8.901 -11.963 0.786 654 1HG PRO 88 1HG PRO 88 11.237 -10.613 0.916 655 2HG PRO 88 2HG PRO 88 9.675 -9.827 1.209 656 1HD PRO 88 1HD PRO 88 11.667 -10.862 3.198 657 2HD PRO 88 2HD PRO 88 10.818 -9.298 3.172 658 H ALA 89 H ALA 89 9.558 -12.454 5.271 659 HA ALA 89 HA ALA 89 10.252 -13.962 6.765 660 1HB ALA 89 1HB ALA 89 9.604 -16.291 6.509 661 2HB ALA 89 2HB ALA 89 9.234 -16.002 4.792 662 3HB ALA 89 3HB ALA 89 8.329 -15.156 6.065 663 H ALA 90 H ALA 90 11.822 -13.163 4.311 664 HA ALA 90 HA ALA 90 14.319 -13.929 5.089 665 1HB ALA 90 1HB ALA 90 13.764 -16.188 4.248 666 2HB ALA 90 2HB ALA 90 14.955 -15.422 3.193 667 3HB ALA 90 3HB ALA 90 13.258 -15.494 2.709 Start of MODEL 20 1 H GLU 7 1H GLU 7 18.742 -0.330 9.544 2 HA GLU 7 HA GLU 7 17.704 -1.854 11.015 3 1HB GLU 7 1HB GLU 7 15.597 0.314 11.318 4 2HB GLU 7 2HB GLU 7 15.364 -1.349 11.814 5 1HG GLU 7 1HG GLU 7 15.852 -0.031 13.754 6 2HG GLU 7 2HG GLU 7 17.233 -1.071 13.433 7 H THR 8 H THR 8 17.927 -2.728 8.994 8 HA THR 8 HA THR 8 15.415 -3.270 7.722 9 HB THR 8 HB THR 8 17.777 -2.282 6.049 10 HG1 THR 8 HG1 THR 8 15.738 -0.937 7.252 11 1HG2 THR 8 1HG2 THR 8 16.360 -3.961 4.941 12 2HG2 THR 8 2HG2 THR 8 16.167 -2.376 4.181 13 3HG2 THR 8 3HG2 THR 8 14.933 -2.983 5.283 14 H MET 9 H MET 9 15.710 -5.316 8.511 15 HA MET 9 HA MET 9 18.159 -6.681 8.504 16 1HB MET 9 1HB MET 9 16.375 -7.276 10.048 17 2HB MET 9 2HB MET 9 15.372 -7.820 8.712 18 1HG MET 9 1HG MET 9 16.924 -9.610 8.231 19 2HG MET 9 2HG MET 9 18.016 -9.035 9.491 20 1HE MET 9 1HE MET 9 18.050 -11.534 10.453 21 2HE MET 9 2HE MET 9 16.926 -12.015 9.183 22 3HE MET 9 3HE MET 9 16.586 -12.435 10.861 23 H GLY 10 H GLY 10 15.347 -7.380 6.389 24 1HA GLY 10 1HA GLY 10 16.922 -7.636 4.080 25 2HA GLY 10 2HA GLY 10 16.733 -9.225 4.807 26 H ASN 11 H ASN 11 15.305 -6.774 2.986 27 HA ASN 11 HA ASN 11 13.323 -6.478 1.932 28 1HB ASN 11 1HB ASN 11 12.976 -9.462 2.379 29 2HB ASN 11 2HB ASN 11 11.896 -8.485 1.400 30 1HD2 ASN 11 1HD2 ASN 11 13.499 -10.796 0.675 31 2HD2 ASN 11 2HD2 ASN 11 14.520 -10.279 -0.605 32 H VAL 12 H VAL 12 12.382 -5.129 3.268 33 HA VAL 12 HA VAL 12 10.666 -6.327 5.248 34 HB VAL 12 HB VAL 12 12.379 -3.872 5.595 35 1HG1 VAL 12 1HG1 VAL 12 10.195 -4.959 7.390 36 2HG1 VAL 12 2HG1 VAL 12 10.145 -3.439 6.500 37 3HG1 VAL 12 3HG1 VAL 12 11.301 -3.652 7.824 38 1HG2 VAL 12 1HG2 VAL 12 13.507 -5.989 6.059 39 2HG2 VAL 12 2HG2 VAL 12 12.179 -6.421 7.145 40 3HG2 VAL 12 3HG2 VAL 12 13.239 -5.072 7.555 41 H THR 13 H THR 13 8.834 -5.884 4.964 42 HA THR 13 HA THR 13 7.913 -3.582 3.409 43 HB THR 13 HB THR 13 6.921 -6.325 3.972 44 HG1 THR 13 HG1 THR 13 7.447 -4.943 1.574 45 1HG2 THR 13 1HG2 THR 13 5.355 -4.086 2.673 46 2HG2 THR 13 2HG2 THR 13 5.005 -4.861 4.221 47 3HG2 THR 13 3HG2 THR 13 4.831 -5.777 2.721 48 H THR 14 H THR 14 7.520 -2.092 4.753 49 HA THR 14 HA THR 14 6.651 -2.560 7.418 50 HB THR 14 HB THR 14 6.612 -0.055 5.841 51 HG1 THR 14 HG1 THR 14 8.701 -0.847 5.716 52 1HG2 THR 14 1HG2 THR 14 7.038 0.983 8.151 53 2HG2 THR 14 2HG2 THR 14 6.755 -0.647 8.813 54 3HG2 THR 14 3HG2 THR 14 5.482 0.177 7.947 55 H VAL 15 H VAL 15 4.687 -2.521 8.065 56 HA VAL 15 HA VAL 15 2.507 -2.131 6.157 57 HB VAL 15 HB VAL 15 2.878 -3.895 8.535 58 1HG1 VAL 15 1HG1 VAL 15 0.267 -3.364 7.072 59 2HG1 VAL 15 2HG1 VAL 15 0.676 -2.893 8.737 60 3HG1 VAL 15 3HG1 VAL 15 0.564 -4.593 8.316 61 1HG2 VAL 15 1HG2 VAL 15 3.679 -4.783 6.475 62 2HG2 VAL 15 2HG2 VAL 15 2.163 -4.330 5.689 63 3HG2 VAL 15 3HG2 VAL 15 2.147 -5.632 6.875 64 H LEU 16 H LEU 16 0.948 -0.691 6.741 65 HA LEU 16 HA LEU 16 1.173 0.230 9.445 66 1HB LEU 16 1HB LEU 16 1.861 1.954 7.797 67 2HB LEU 16 2HB LEU 16 0.244 1.881 7.116 68 HG LEU 16 HG LEU 16 -0.561 2.354 9.500 69 1HD1 LEU 16 1HD1 LEU 16 2.263 3.332 9.711 70 2HD1 LEU 16 2HD1 LEU 16 1.507 2.047 10.651 71 3HD1 LEU 16 3HD1 LEU 16 0.953 3.711 10.824 72 1HD2 LEU 16 1HD2 LEU 16 -0.760 3.804 7.626 73 2HD2 LEU 16 2HD2 LEU 16 0.858 4.479 7.991 74 3HD2 LEU 16 3HD2 LEU 16 -0.486 4.632 9.172 75 H ILE 17 H ILE 17 -0.394 -0.500 10.461 76 HA ILE 17 HA ILE 17 -2.985 -0.909 9.168 77 HB ILE 17 HB ILE 17 -1.525 -2.294 11.334 78 1HG1 ILE 17 1HG1 ILE 17 -2.247 -3.330 9.241 79 2HG1 ILE 17 2HG1 ILE 17 -2.933 -4.146 10.652 80 1HG2 ILE 17 1HG2 ILE 17 -4.485 -1.848 11.738 81 2HG2 ILE 17 2HG2 ILE 17 -3.232 -1.051 12.660 82 3HG2 ILE 17 3HG2 ILE 17 -3.409 -2.818 12.761 83 1HD1 ILE 17 1HD1 ILE 17 -4.949 -2.694 10.336 84 2HD1 ILE 17 2HD1 ILE 17 -4.715 -3.958 9.142 85 3HD1 ILE 17 3HD1 ILE 17 -4.323 -2.282 8.743 86 H ARG 18 H ARG 18 -4.515 0.415 9.499 87 HA ARG 18 HA ARG 18 -4.212 2.084 11.824 88 1HB ARG 18 1HB ARG 18 -5.405 2.791 9.163 89 2HB ARG 18 2HB ARG 18 -5.765 3.719 10.623 90 1HG ARG 18 1HG ARG 18 -3.402 4.113 10.983 91 2HG ARG 18 2HG ARG 18 -3.012 3.193 9.533 92 1HD ARG 18 1HD ARG 18 -2.926 5.578 9.247 93 2HD ARG 18 2HD ARG 18 -4.119 4.824 8.167 94 HE ARG 18 HE ARG 18 -5.201 5.818 10.633 95 1HH1 ARG 18 1HH1 ARG 18 -4.338 6.721 7.294 96 2HH1 ARG 18 2HH1 ARG 18 -5.330 8.107 7.253 97 1HH2 ARG 18 1HH2 ARG 18 -6.617 7.719 10.550 98 2HH2 ARG 18 2HH2 ARG 18 -6.653 8.682 9.145 99 H ARG 19 H ARG 19 -5.144 1.337 13.236 100 HA ARG 19 HA ARG 19 -7.766 0.084 12.935 101 1HB ARG 19 1HB ARG 19 -6.034 -1.392 13.658 102 2HB ARG 19 2HB ARG 19 -5.592 -0.294 14.953 103 1HG ARG 19 1HG ARG 19 -7.636 -0.692 16.070 104 2HG ARG 19 2HG ARG 19 -8.242 -1.698 14.738 105 1HD ARG 19 1HD ARG 19 -6.213 -3.153 15.127 106 2HD ARG 19 2HD ARG 19 -5.953 -2.237 16.611 107 HE ARG 19 HE ARG 19 -8.566 -3.119 16.442 108 1HH1 ARG 19 1HH1 ARG 19 -5.377 -4.124 17.404 109 2HH1 ARG 19 2HH1 ARG 19 -5.809 -5.633 18.038 110 1HH2 ARG 19 1HH2 ARG 19 -9.276 -5.227 17.266 111 2HH2 ARG 19 2HH2 ARG 19 -8.149 -6.320 17.929 112 HA PRO 20 HA PRO 20 -9.060 3.853 15.238 113 1HB PRO 20 1HB PRO 20 -11.594 2.275 15.169 114 2HB PRO 20 2HB PRO 20 -11.334 3.985 14.798 115 1HG PRO 20 1HG PRO 20 -11.681 2.301 12.813 116 2HG PRO 20 2HG PRO 20 -10.399 3.521 12.704 117 1HD PRO 20 1HD PRO 20 -10.179 0.607 13.354 118 2HD PRO 20 2HD PRO 20 -9.155 1.603 12.295 119 H ASP 21 H ASP 21 -10.378 0.639 16.160 120 HA ASP 21 HA ASP 21 -9.250 0.824 18.748 121 1HB ASP 21 1HB ASP 21 -11.169 0.982 20.126 122 2HB ASP 21 2HB ASP 21 -11.461 2.196 18.898 123 H LEU 22 H LEU 22 -10.663 -1.140 20.035 124 HA LEU 22 HA LEU 22 -9.602 -3.389 18.668 125 1HB LEU 22 1HB LEU 22 -11.102 -3.241 21.251 126 2HB LEU 22 2HB LEU 22 -10.233 -4.639 20.639 127 HG LEU 22 HG LEU 22 -9.072 -2.002 21.487 128 1HD1 LEU 22 1HD1 LEU 22 -8.700 -4.793 22.458 129 2HD1 LEU 22 2HD1 LEU 22 -9.615 -3.513 23.267 130 3HD1 LEU 22 3HD1 LEU 22 -7.855 -3.367 23.082 131 1HD2 LEU 22 1HD2 LEU 22 -7.982 -2.691 19.507 132 2HD2 LEU 22 2HD2 LEU 22 -7.713 -4.319 20.116 133 3HD2 LEU 22 3HD2 LEU 22 -6.861 -2.941 20.837 134 H ARG 23 H ARG 23 -12.697 -2.001 18.648 135 HA ARG 23 HA ARG 23 -14.271 -4.323 18.068 136 1HB ARG 23 1HB ARG 23 -14.639 -1.510 17.018 137 2HB ARG 23 2HB ARG 23 -15.821 -2.792 16.902 138 1HG ARG 23 1HG ARG 23 -14.829 -1.598 19.473 139 2HG ARG 23 2HG ARG 23 -16.302 -1.124 18.638 140 1HD ARG 23 1HD ARG 23 -17.066 -3.508 18.860 141 2HD ARG 23 2HD ARG 23 -15.678 -3.772 19.920 142 HE ARG 23 HE ARG 23 -16.666 -1.717 21.126 143 1HH1 ARG 23 1HH1 ARG 23 -18.471 -4.505 19.845 144 2HH1 ARG 23 2HH1 ARG 23 -19.863 -4.186 20.765 145 1HH2 ARG 23 1HH2 ARG 23 -18.595 -1.331 22.403 146 2HH2 ARG 23 2HH2 ARG 23 -19.937 -2.367 22.238 147 H TYR 24 H TYR 24 -11.980 -2.501 16.323 148 HA TYR 24 HA TYR 24 -12.643 -3.760 13.769 149 1HB TYR 24 1HB TYR 24 -10.624 -1.648 14.571 150 2HB TYR 24 2HB TYR 24 -10.647 -2.399 12.985 151 HD1 TYR 24 HD1 TYR 24 -12.012 -1.582 11.307 152 HD2 TYR 24 HD2 TYR 24 -12.656 -0.303 15.305 153 HE1 TYR 24 HE1 TYR 24 -13.559 0.130 10.495 154 HE2 TYR 24 HE2 TYR 24 -14.214 1.420 14.505 155 HH TYR 24 HH TYR 24 -15.367 1.412 11.276 156 H GLN 25 H GLN 25 -11.833 -5.758 13.703 157 HA GLN 25 HA GLN 25 -9.394 -6.217 15.197 158 1HB GLN 25 1HB GLN 25 -11.234 -8.188 13.878 159 2HB GLN 25 2HB GLN 25 -9.745 -8.624 14.703 160 1HG GLN 25 1HG GLN 25 -10.662 -7.482 16.737 161 2HG GLN 25 2HG GLN 25 -12.210 -7.394 15.895 162 1HE2 GLN 25 1HE2 GLN 25 -9.870 -9.426 17.346 163 2HE2 GLN 25 2HE2 GLN 25 -10.826 -10.863 17.410 164 H LEU 26 H LEU 26 -7.678 -7.403 14.307 165 HA LEU 26 HA LEU 26 -6.438 -6.060 12.226 166 1HB LEU 26 1HB LEU 26 -5.844 -8.926 12.987 167 2HB LEU 26 2HB LEU 26 -4.755 -7.806 12.230 168 HG LEU 26 HG LEU 26 -3.944 -8.007 14.363 169 1HD1 LEU 26 1HD1 LEU 26 -5.639 -5.564 14.539 170 2HD1 LEU 26 2HD1 LEU 26 -4.016 -5.710 13.841 171 3HD1 LEU 26 3HD1 LEU 26 -4.269 -5.967 15.576 172 1HD2 LEU 26 1HD2 LEU 26 -6.714 -7.801 15.572 173 2HD2 LEU 26 2HD2 LEU 26 -5.202 -8.007 16.446 174 3HD2 LEU 26 3HD2 LEU 26 -5.767 -9.270 15.363 175 H GLY 27 H GLY 27 -7.602 -9.440 12.055 176 1HA GLY 27 1HA GLY 27 -9.023 -10.132 10.258 177 2HA GLY 27 2HA GLY 27 -8.235 -8.937 9.233 178 H PHE 28 H PHE 28 -5.726 -9.992 10.826 179 HA PHE 28 HA PHE 28 -5.319 -12.197 8.952 180 1HB PHE 28 1HB PHE 28 -2.956 -11.654 8.830 181 2HB PHE 28 2HB PHE 28 -3.874 -10.231 8.432 182 HD1 PHE 28 HD1 PHE 28 -3.933 -8.323 10.023 183 HD2 PHE 28 HD2 PHE 28 -1.564 -11.747 10.752 184 HE1 PHE 28 HE1 PHE 28 -2.633 -7.049 11.676 185 HE2 PHE 28 HE2 PHE 28 -0.258 -10.495 12.438 186 HZ PHE 28 HZ PHE 28 -0.796 -8.133 12.884 187 H SER 29 H SER 29 -4.117 -13.951 9.642 188 HA SER 29 HA SER 29 -4.195 -14.378 12.546 189 1HB SER 29 1HB SER 29 -5.592 -15.906 11.164 190 2HB SER 29 2HB SER 29 -4.148 -16.370 10.265 191 HG SER 29 HG SER 29 -4.347 -16.697 13.077 192 H VAL 30 H VAL 30 -2.292 -14.372 13.532 193 HA VAL 30 HA VAL 30 0.068 -15.025 11.957 194 HB VAL 30 HB VAL 30 -0.400 -12.789 13.841 195 1HG1 VAL 30 1HG1 VAL 30 1.862 -12.626 14.599 196 2HG1 VAL 30 2HG1 VAL 30 2.275 -14.197 13.883 197 3HG1 VAL 30 3HG1 VAL 30 1.158 -14.111 15.253 198 1HG2 VAL 30 1HG2 VAL 30 1.615 -13.336 11.702 199 2HG2 VAL 30 2HG2 VAL 30 1.327 -11.785 12.481 200 3HG2 VAL 30 3HG2 VAL 30 0.067 -12.532 11.495 201 H GLN 31 H GLN 31 1.328 -16.555 12.465 202 HA GLN 31 HA GLN 31 1.171 -17.782 15.109 203 1HB GLN 31 1HB GLN 31 1.308 -19.173 12.440 204 2HB GLN 31 2HB GLN 31 1.580 -19.962 13.978 205 1HG GLN 31 1HG GLN 31 -0.717 -19.426 14.633 206 2HG GLN 31 2HG GLN 31 -0.977 -18.695 13.042 207 1HE2 GLN 31 1HE2 GLN 31 -0.324 -21.606 14.748 208 2HE2 GLN 31 2HE2 GLN 31 -0.814 -22.704 13.506 209 H ASN 32 H ASN 32 3.101 -17.692 15.990 210 HA ASN 32 HA ASN 32 5.355 -17.688 16.300 211 1HB ASN 32 1HB ASN 32 5.215 -19.081 13.652 212 2HB ASN 32 2HB ASN 32 6.786 -18.750 14.409 213 1HD2 ASN 32 1HD2 ASN 32 5.359 -21.233 13.764 214 2HD2 ASN 32 2HD2 ASN 32 5.251 -22.121 15.239 215 H GLY 33 H GLY 33 3.862 -15.588 14.735 216 1HA GLY 33 1HA GLY 33 4.621 -13.374 14.411 217 2HA GLY 33 2HA GLY 33 6.236 -14.002 14.104 218 H ILE 34 H ILE 34 4.392 -16.060 12.409 219 HA ILE 34 HA ILE 34 4.715 -14.405 10.038 220 HB ILE 34 HB ILE 34 4.461 -17.448 10.136 221 1HG1 ILE 34 1HG1 ILE 34 6.828 -17.352 9.152 222 2HG1 ILE 34 2HG1 ILE 34 6.862 -15.672 9.647 223 1HG2 ILE 34 1HG2 ILE 34 4.974 -15.578 7.851 224 2HG2 ILE 34 2HG2 ILE 34 3.507 -16.524 8.108 225 3HG2 ILE 34 3HG2 ILE 34 5.033 -17.339 7.726 226 1HD1 ILE 34 1HD1 ILE 34 6.590 -18.047 11.473 227 2HD1 ILE 34 2HD1 ILE 34 6.635 -16.359 11.973 228 3HD1 ILE 34 3HD1 ILE 34 8.048 -17.088 11.206 229 H ILE 35 H ILE 35 3.124 -13.722 8.986 230 HA ILE 35 HA ILE 35 0.435 -14.055 9.696 231 HB ILE 35 HB ILE 35 1.666 -12.996 7.144 232 1HG1 ILE 35 1HG1 ILE 35 0.689 -11.467 9.551 233 2HG1 ILE 35 2HG1 ILE 35 2.353 -12.009 9.397 234 1HG2 ILE 35 1HG2 ILE 35 -0.473 -11.776 6.901 235 2HG2 ILE 35 2HG2 ILE 35 -1.103 -12.612 8.334 236 3HG2 ILE 35 3HG2 ILE 35 -0.724 -13.519 6.878 237 1HD1 ILE 35 1HD1 ILE 35 0.959 -10.283 7.422 238 2HD1 ILE 35 2HD1 ILE 35 2.697 -10.632 7.520 239 3HD1 ILE 35 3HD1 ILE 35 1.906 -9.664 8.774 240 H CYS 36 H CYS 36 -0.622 -15.858 9.399 241 HA CYS 36 HA CYS 36 0.153 -17.793 7.360 242 1HB CYS 36 1HB CYS 36 0.056 -18.595 9.629 243 2HB CYS 36 2HB CYS 36 -1.572 -17.970 9.829 244 HG CYS 36 HG CYS 36 -2.502 -20.210 9.545 245 H SER 37 H SER 37 -2.481 -15.633 8.174 246 HA SER 37 HA SER 37 -3.834 -16.351 5.725 247 1HB SER 37 1HB SER 37 -5.223 -16.566 8.412 248 2HB SER 37 2HB SER 37 -5.990 -16.742 6.828 249 HG SER 37 HG SER 37 -3.917 -18.333 6.863 250 H LEU 38 H LEU 38 -5.573 -14.770 5.202 251 HA LEU 38 HA LEU 38 -5.443 -12.255 6.668 252 1HB LEU 38 1HB LEU 38 -3.683 -12.085 5.015 253 2HB LEU 38 2HB LEU 38 -4.780 -12.575 3.744 254 HG LEU 38 HG LEU 38 -6.017 -10.451 4.005 255 1HD1 LEU 38 1HD1 LEU 38 -3.888 -9.829 6.032 256 2HD1 LEU 38 2HD1 LEU 38 -5.605 -10.070 6.361 257 3HD1 LEU 38 3HD1 LEU 38 -5.065 -8.689 5.400 258 1HD2 LEU 38 1HD2 LEU 38 -4.135 -10.572 2.414 259 2HD2 LEU 38 2HD2 LEU 38 -3.056 -10.062 3.727 260 3HD2 LEU 38 3HD2 LEU 38 -4.289 -8.968 3.151 261 H MET 39 H MET 39 -7.351 -11.248 6.720 262 HA MET 39 HA MET 39 -9.656 -12.334 5.396 263 1HB MET 39 1HB MET 39 -9.922 -11.554 7.673 264 2HB MET 39 2HB MET 39 -9.311 -9.964 7.243 265 1HG MET 39 1HG MET 39 -11.280 -9.636 5.780 266 2HG MET 39 2HG MET 39 -11.899 -11.197 6.311 267 1HE MET 39 1HE MET 39 -14.185 -9.927 6.926 268 2HE MET 39 2HE MET 39 -13.476 -8.389 6.437 269 3HE MET 39 3HE MET 39 -14.262 -8.536 8.008 270 H ARG 40 H ARG 40 -10.330 -11.747 3.518 271 HA ARG 40 HA ARG 40 -9.219 -9.558 2.034 272 1HB ARG 40 1HB ARG 40 -10.045 -11.826 1.136 273 2HB ARG 40 2HB ARG 40 -11.663 -11.229 1.442 274 1HG ARG 40 1HG ARG 40 -9.748 -9.873 -0.439 275 2HG ARG 40 2HG ARG 40 -10.875 -11.128 -0.951 276 1HD ARG 40 1HD ARG 40 -11.518 -8.427 0.213 277 2HD ARG 40 2HD ARG 40 -11.790 -8.948 -1.453 278 HE ARG 40 HE ARG 40 -13.216 -9.942 0.921 279 1HH1 ARG 40 1HH1 ARG 40 -13.115 -9.613 -2.604 280 2HH1 ARG 40 2HH1 ARG 40 -14.783 -9.769 -2.833 281 1HH2 ARG 40 1HH2 ARG 40 -15.496 -10.225 0.635 282 2HH2 ARG 40 2HH2 ARG 40 -16.204 -10.155 -0.913 283 H GLY 41 H GLY 41 -9.970 -7.515 2.147 284 1HA GLY 41 1HA GLY 41 -11.588 -5.856 2.275 285 2HA GLY 41 2HA GLY 41 -12.739 -7.037 2.889 286 H GLY 42 H GLY 42 -10.044 -7.615 4.582 287 1HA GLY 42 1HA GLY 42 -11.098 -6.245 6.910 288 2HA GLY 42 2HA GLY 42 -9.762 -7.391 6.891 289 H ILE 43 H ILE 43 -9.450 -5.157 8.380 290 HA ILE 43 HA ILE 43 -8.264 -3.043 6.943 291 HB ILE 43 HB ILE 43 -6.890 -2.696 9.160 292 1HG1 ILE 43 1HG1 ILE 43 -9.255 -4.259 10.184 293 2HG1 ILE 43 2HG1 ILE 43 -7.575 -4.781 10.229 294 1HG2 ILE 43 1HG2 ILE 43 -9.774 -1.967 8.817 295 2HG2 ILE 43 2HG2 ILE 43 -8.313 -1.063 8.349 296 3HG2 ILE 43 3HG2 ILE 43 -8.690 -1.296 10.044 297 1HD1 ILE 43 1HD1 ILE 43 -8.723 -2.392 11.665 298 2HD1 ILE 43 2HD1 ILE 43 -7.041 -2.928 11.735 299 3HD1 ILE 43 3HD1 ILE 43 -8.320 -3.945 12.396 300 H ALA 44 H ALA 44 -6.922 -5.982 8.197 301 HA ALA 44 HA ALA 44 -4.226 -5.420 7.983 302 1HB ALA 44 1HB ALA 44 -5.568 -8.023 7.385 303 2HB ALA 44 2HB ALA 44 -5.282 -7.383 8.989 304 3HB ALA 44 3HB ALA 44 -3.906 -7.782 7.938 305 H GLU 45 H GLU 45 -6.372 -6.644 5.457 306 HA GLU 45 HA GLU 45 -4.434 -6.918 3.441 307 1HB GLU 45 1HB GLU 45 -6.651 -7.941 3.316 308 2HB GLU 45 2HB GLU 45 -7.395 -6.353 3.288 309 1HG GLU 45 1HG GLU 45 -6.365 -5.911 1.126 310 2HG GLU 45 2HG GLU 45 -5.624 -7.514 1.154 311 H ARG 46 H ARG 46 -6.518 -4.304 4.366 312 HA ARG 46 HA ARG 46 -5.682 -2.501 2.306 313 1HB ARG 46 1HB ARG 46 -7.328 -2.158 4.804 314 2HB ARG 46 2HB ARG 46 -6.977 -0.814 3.719 315 1HG ARG 46 1HG ARG 46 -8.103 -1.921 1.902 316 2HG ARG 46 2HG ARG 46 -8.324 -3.373 2.872 317 1HD ARG 46 1HD ARG 46 -9.463 -0.724 3.700 318 2HD ARG 46 2HD ARG 46 -10.318 -1.786 2.592 319 HE ARG 46 HE ARG 46 -9.926 -3.469 4.555 320 1HH1 ARG 46 1HH1 ARG 46 -10.672 -0.032 4.995 321 2HH1 ARG 46 2HH1 ARG 46 -11.789 -0.269 6.251 322 1HH2 ARG 46 1HH2 ARG 46 -11.550 -3.806 6.271 323 2HH2 ARG 46 2HH2 ARG 46 -12.279 -2.449 7.004 324 H GLY 47 H GLY 47 -4.479 -3.305 5.404 325 1HA GLY 47 1HA GLY 47 -2.835 -0.952 5.681 326 2HA GLY 47 2HA GLY 47 -2.839 -2.363 6.727 327 H GLY 48 H GLY 48 -2.567 -4.052 4.150 328 1HA GLY 48 1HA GLY 48 -0.849 -4.344 2.509 329 2HA GLY 48 2HA GLY 48 0.215 -3.355 3.495 330 H VAL 49 H VAL 49 -1.663 -5.622 5.209 331 HA VAL 49 HA VAL 49 0.635 -7.103 6.057 332 HB VAL 49 HB VAL 49 -2.319 -7.369 6.456 333 1HG1 VAL 49 1HG1 VAL 49 -0.134 -8.769 7.972 334 2HG1 VAL 49 2HG1 VAL 49 -1.173 -9.541 6.764 335 3HG1 VAL 49 3HG1 VAL 49 -1.859 -8.945 8.279 336 1HG2 VAL 49 1HG2 VAL 49 -1.423 -5.396 7.472 337 2HG2 VAL 49 2HG2 VAL 49 -0.217 -6.377 8.326 338 3HG2 VAL 49 3HG2 VAL 49 -1.931 -6.545 8.714 339 H ARG 50 H ARG 50 1.380 -8.883 4.929 340 HA ARG 50 HA ARG 50 -0.533 -10.280 3.141 341 1HB ARG 50 1HB ARG 50 2.401 -9.907 2.582 342 2HB ARG 50 2HB ARG 50 1.208 -10.678 1.554 343 1HG ARG 50 1HG ARG 50 1.418 -7.780 2.249 344 2HG ARG 50 2HG ARG 50 1.748 -8.544 0.674 345 1HD ARG 50 1HD ARG 50 -0.908 -8.314 2.086 346 2HD ARG 50 2HD ARG 50 -0.389 -7.346 0.718 347 HE ARG 50 HE ARG 50 -0.834 -10.258 0.603 348 1HH1 ARG 50 1HH1 ARG 50 -0.811 -7.112 -0.982 349 2HH1 ARG 50 2HH1 ARG 50 -1.957 -7.496 -2.174 350 1HH2 ARG 50 1HH2 ARG 50 -2.440 -10.862 -1.089 351 2HH2 ARG 50 2HH2 ARG 50 -2.893 -9.693 -2.258 352 H VAL 51 H VAL 51 -0.223 -12.275 2.775 353 HA VAL 51 HA VAL 51 0.461 -13.719 5.158 354 HB VAL 51 HB VAL 51 -0.741 -14.443 2.530 355 1HG1 VAL 51 1HG1 VAL 51 -0.441 -16.175 5.023 356 2HG1 VAL 51 2HG1 VAL 51 0.383 -16.456 3.486 357 3HG1 VAL 51 3HG1 VAL 51 -1.376 -16.634 3.601 358 1HG2 VAL 51 1HG2 VAL 51 -1.907 -14.165 5.257 359 2HG2 VAL 51 2HG2 VAL 51 -2.796 -14.711 3.832 360 3HG2 VAL 51 3HG2 VAL 51 -2.116 -13.079 3.887 361 H GLY 52 H GLY 52 2.012 -15.261 5.331 362 1HA GLY 52 1HA GLY 52 3.988 -16.375 4.799 363 2HA GLY 52 2HA GLY 52 3.862 -15.745 3.157 364 H HIS 53 H HIS 53 3.567 -13.752 5.904 365 HA HIS 53 HA HIS 53 6.233 -12.636 5.449 366 1HB HIS 53 1HB HIS 53 3.611 -11.247 5.794 367 2HB HIS 53 2HB HIS 53 5.071 -10.515 6.442 368 HD1 HIS 53 HD1 HIS 53 5.322 -8.547 4.846 369 HD2 HIS 53 HD2 HIS 53 4.771 -12.179 2.873 370 HE1 HIS 53 HE1 HIS 53 5.660 -8.065 2.421 371 HE2 HIS 53 HE2 HIS 53 5.785 -10.328 1.399 372 H ARG 54 H ARG 54 7.432 -12.344 7.184 373 HA ARG 54 HA ARG 54 6.300 -13.165 9.756 374 1HB ARG 54 1HB ARG 54 8.335 -14.400 9.113 375 2HB ARG 54 2HB ARG 54 9.197 -12.891 8.887 376 1HG ARG 54 1HG ARG 54 9.128 -12.412 11.226 377 2HG ARG 54 2HG ARG 54 8.055 -13.776 11.527 378 1HD ARG 54 1HD ARG 54 10.348 -14.275 12.196 379 2HD ARG 54 2HD ARG 54 9.837 -15.320 10.878 380 HE ARG 54 HE ARG 54 11.141 -13.715 9.412 381 1HH1 ARG 54 1HH1 ARG 54 12.031 -14.184 12.828 382 2HH1 ARG 54 2HH1 ARG 54 13.689 -13.963 12.545 383 1HH2 ARG 54 1HH2 ARG 54 13.386 -13.471 9.033 384 2HH2 ARG 54 2HH2 ARG 54 14.502 -13.578 10.305 385 H ILE 55 H ILE 55 5.830 -11.697 11.145 386 HA ILE 55 HA ILE 55 6.500 -8.947 10.670 387 HB ILE 55 HB ILE 55 5.136 -10.202 13.051 388 1HG1 ILE 55 1HG1 ILE 55 4.006 -9.000 10.515 389 2HG1 ILE 55 2HG1 ILE 55 3.879 -10.667 11.051 390 1HG2 ILE 55 1HG2 ILE 55 5.279 -7.330 12.112 391 2HG2 ILE 55 2HG2 ILE 55 6.045 -7.994 13.551 392 3HG2 ILE 55 3HG2 ILE 55 4.285 -7.914 13.442 393 1HD1 ILE 55 1HD1 ILE 55 2.793 -8.284 12.401 394 2HD1 ILE 55 2HD1 ILE 55 2.578 -9.975 12.924 395 3HD1 ILE 55 3HD1 ILE 55 1.848 -9.403 11.393 396 H ILE 56 H ILE 56 8.167 -7.934 11.429 397 HA ILE 56 HA ILE 56 9.628 -9.209 13.557 398 HB ILE 56 HB ILE 56 11.657 -8.132 12.805 399 1HG1 ILE 56 1HG1 ILE 56 10.004 -7.095 10.490 400 2HG1 ILE 56 2HG1 ILE 56 10.581 -6.129 11.853 401 1HG2 ILE 56 1HG2 ILE 56 10.184 -9.592 10.609 402 2HG2 ILE 56 2HG2 ILE 56 11.076 -10.340 11.929 403 3HG2 ILE 56 3HG2 ILE 56 11.934 -9.389 10.712 404 1HD1 ILE 56 1HD1 ILE 56 12.248 -7.621 9.910 405 2HD1 ILE 56 2HD1 ILE 56 12.810 -6.707 11.310 406 3HD1 ILE 56 3HD1 ILE 56 12.010 -5.853 9.960 407 H GLU 57 H GLU 57 7.691 -6.585 13.015 408 HA GLU 57 HA GLU 57 8.469 -5.391 15.536 409 1HB GLU 57 1HB GLU 57 10.149 -4.399 14.032 410 2HB GLU 57 2HB GLU 57 8.869 -3.860 12.963 411 1HG GLU 57 1HG GLU 57 8.032 -2.397 14.751 412 2HG GLU 57 2HG GLU 57 9.377 -2.907 15.769 413 H ILE 58 H ILE 58 6.899 -4.211 16.370 414 HA ILE 58 HA ILE 58 4.555 -3.553 14.733 415 HB ILE 58 HB ILE 58 4.541 -4.907 17.428 416 1HG1 ILE 58 1HG1 ILE 58 3.245 -5.941 14.919 417 2HG1 ILE 58 2HG1 ILE 58 4.916 -6.326 15.334 418 1HG2 ILE 58 1HG2 ILE 58 2.033 -4.807 17.226 419 2HG2 ILE 58 2HG2 ILE 58 2.234 -3.904 15.721 420 3HG2 ILE 58 3HG2 ILE 58 2.743 -3.187 17.229 421 1HD1 ILE 58 1HD1 ILE 58 2.496 -6.934 17.016 422 2HD1 ILE 58 2HD1 ILE 58 4.195 -7.336 17.366 423 3HD1 ILE 58 3HD1 ILE 58 3.387 -8.076 15.990 424 H ASN 59 H ASN 59 4.163 -1.497 15.066 425 HA ASN 59 HA ASN 59 3.653 0.466 16.064 426 1HB ASN 59 1HB ASN 59 2.685 -0.951 17.877 427 2HB ASN 59 2HB ASN 59 4.232 -0.873 18.704 428 1HD2 ASN 59 1HD2 ASN 59 1.421 0.799 17.798 429 2HD2 ASN 59 2HD2 ASN 59 1.609 2.199 18.781 430 H GLY 60 H GLY 60 6.635 -0.984 16.539 431 1HA GLY 60 1HA GLY 60 8.514 0.642 16.073 432 2HA GLY 60 2HA GLY 60 7.868 1.539 17.444 433 H GLN 61 H GLN 61 7.447 -1.754 17.950 434 HA GLN 61 HA GLN 61 10.022 -1.990 19.297 435 1HB GLN 61 1HB GLN 61 8.945 -3.365 21.016 436 2HB GLN 61 2HB GLN 61 8.266 -1.755 20.985 437 1HG GLN 61 1HG GLN 61 6.298 -2.569 19.845 438 2HG GLN 61 2HG GLN 61 6.995 -4.186 19.752 439 1HE2 GLN 61 1HE2 GLN 61 5.602 -1.796 21.847 440 2HE2 GLN 61 2HE2 GLN 61 5.369 -2.834 23.201 441 H SER 62 H SER 62 11.099 -3.812 19.167 442 HA SER 62 HA SER 62 10.592 -5.292 16.759 443 1HB SER 62 1HB SER 62 12.889 -4.555 17.562 444 2HB SER 62 2HB SER 62 12.733 -5.727 18.864 445 HG SER 62 HG SER 62 13.054 -6.077 16.135 446 H VAL 63 H VAL 63 9.012 -6.873 16.871 447 HA VAL 63 HA VAL 63 8.739 -8.200 19.409 448 HB VAL 63 HB VAL 63 6.533 -8.813 18.618 449 1HG1 VAL 63 1HG1 VAL 63 7.191 -5.880 18.202 450 2HG1 VAL 63 2HG1 VAL 63 6.834 -6.654 19.726 451 3HG1 VAL 63 3HG1 VAL 63 5.569 -6.513 18.508 452 1HG2 VAL 63 1HG2 VAL 63 7.110 -9.099 16.250 453 2HG2 VAL 63 2HG2 VAL 63 7.292 -7.350 16.078 454 3HG2 VAL 63 3HG2 VAL 63 5.713 -8.046 16.432 455 H VAL 64 H VAL 64 10.512 -8.506 16.915 456 HA VAL 64 HA VAL 64 10.009 -11.179 16.071 457 HB VAL 64 HB VAL 64 11.256 -9.207 14.929 458 1HG1 VAL 64 1HG1 VAL 64 13.545 -10.450 16.365 459 2HG1 VAL 64 2HG1 VAL 64 12.932 -8.804 16.520 460 3HG1 VAL 64 3HG1 VAL 64 13.682 -9.328 15.005 461 1HG2 VAL 64 1HG2 VAL 64 10.798 -11.162 13.825 462 2HG2 VAL 64 2HG2 VAL 64 12.063 -12.079 14.671 463 3HG2 VAL 64 3HG2 VAL 64 12.493 -10.801 13.508 464 H ALA 65 H ALA 65 11.290 -9.780 18.790 465 HA ALA 65 HA ALA 65 12.696 -12.213 19.643 466 1HB ALA 65 1HB ALA 65 13.865 -10.726 21.208 467 2HB ALA 65 2HB ALA 65 12.955 -9.353 20.549 468 3HB ALA 65 3HB ALA 65 14.093 -10.227 19.526 469 H THR 66 H THR 66 9.752 -11.145 19.652 470 HA THR 66 HA THR 66 9.167 -11.271 22.462 471 HB THR 66 HB THR 66 7.705 -10.351 19.973 472 HG1 THR 66 HG1 THR 66 7.942 -8.516 21.892 473 1HG2 THR 66 1HG2 THR 66 6.752 -10.228 22.836 474 2HG2 THR 66 2HG2 THR 66 6.111 -11.280 21.562 475 3HG2 THR 66 3HG2 THR 66 5.956 -9.529 21.418 476 HA PRO 67 HA PRO 67 7.847 -15.572 21.958 477 1HB PRO 67 1HB PRO 67 5.567 -14.677 23.655 478 2HB PRO 67 2HB PRO 67 6.634 -16.056 23.861 479 1HG PRO 67 1HG PRO 67 6.903 -13.849 25.367 480 2HG PRO 67 2HG PRO 67 8.288 -14.823 24.862 481 1HD PRO 67 1HD PRO 67 7.422 -12.156 23.896 482 2HD PRO 67 2HD PRO 67 9.036 -12.891 23.937 483 H HIS 68 H HIS 68 6.503 -16.539 20.574 484 HA HIS 68 HA HIS 68 5.155 -15.092 18.642 485 1HB HIS 68 1HB HIS 68 4.166 -17.164 17.808 486 2HB HIS 68 2HB HIS 68 5.880 -17.351 18.195 487 HD1 HIS 68 HD1 HIS 68 2.419 -18.524 19.244 488 HD2 HIS 68 HD2 HIS 68 6.423 -19.301 20.107 489 HE1 HIS 68 HE1 HIS 68 2.427 -20.624 20.585 490 HE2 HIS 68 HE2 HIS 68 4.863 -21.210 20.831 491 H GLU 69 H GLU 69 3.721 -16.560 21.495 492 HA GLU 69 HA GLU 69 1.064 -15.942 20.733 493 1HB GLU 69 1HB GLU 69 1.726 -17.662 22.391 494 2HB GLU 69 2HB GLU 69 2.163 -16.345 23.483 495 1HG GLU 69 1HG GLU 69 -0.135 -15.528 23.383 496 2HG GLU 69 2HG GLU 69 -0.535 -16.912 22.353 497 H LYS 70 H LYS 70 3.561 -14.280 22.604 498 HA LYS 70 HA LYS 70 2.003 -12.232 23.658 499 1HB LYS 70 1HB LYS 70 4.778 -12.824 23.500 500 2HB LYS 70 2HB LYS 70 4.547 -11.202 22.916 501 1HG LYS 70 1HG LYS 70 3.131 -10.810 24.987 502 2HG LYS 70 2HG LYS 70 3.852 -12.304 25.595 503 1HD LYS 70 1HD LYS 70 6.085 -11.341 25.154 504 2HD LYS 70 2HD LYS 70 5.297 -9.828 24.688 505 1HE LYS 70 1HE LYS 70 5.186 -11.181 27.359 506 2HE LYS 70 2HE LYS 70 6.093 -9.716 26.919 507 1HZ LYS 70 1HZ LYS 70 3.124 -9.891 26.800 508 2HZ LYS 70 2HZ LYS 70 4.073 -8.484 26.729 509 3HZ LYS 70 3HZ LYS 70 3.981 -9.379 28.143 510 H ILE 71 H ILE 71 3.782 -12.505 20.648 511 HA ILE 71 HA ILE 71 3.384 -9.980 19.563 512 HB ILE 71 HB ILE 71 3.350 -12.645 18.098 513 1HG1 ILE 71 1HG1 ILE 71 5.634 -10.766 18.716 514 2HG1 ILE 71 2HG1 ILE 71 5.339 -12.312 19.494 515 1HG2 ILE 71 1HG2 ILE 71 3.960 -9.882 17.052 516 2HG2 ILE 71 2HG2 ILE 71 2.503 -10.820 16.691 517 3HG2 ILE 71 3HG2 ILE 71 4.083 -11.386 16.137 518 1HD1 ILE 71 1HD1 ILE 71 6.006 -11.889 16.589 519 2HD1 ILE 71 2HD1 ILE 71 5.736 -13.453 17.377 520 3HD1 ILE 71 3HD1 ILE 71 7.100 -12.437 17.860 521 H VAL 72 H VAL 72 1.284 -12.793 19.489 522 HA VAL 72 HA VAL 72 -0.781 -11.658 17.935 523 HB VAL 72 HB VAL 72 -0.792 -14.002 19.863 524 1HG1 VAL 72 1HG1 VAL 72 -3.071 -13.158 19.522 525 2HG1 VAL 72 2HG1 VAL 72 -2.843 -14.734 18.758 526 3HG1 VAL 72 3HG1 VAL 72 -2.850 -13.270 17.776 527 1HG2 VAL 72 1HG2 VAL 72 0.724 -14.260 18.009 528 2HG2 VAL 72 2HG2 VAL 72 -0.565 -13.835 16.882 529 3HG2 VAL 72 3HG2 VAL 72 -0.663 -15.345 17.808 530 H HIS 73 H HIS 73 -0.043 -11.660 21.345 531 HA HIS 73 HA HIS 73 -2.675 -10.885 22.232 532 1HB HIS 73 1HB HIS 73 -0.836 -12.140 23.572 533 2HB HIS 73 2HB HIS 73 -0.101 -10.565 23.794 534 HD1 HIS 73 HD1 HIS 73 -1.503 -12.620 25.921 535 HD2 HIS 73 HD2 HIS 73 -2.964 -8.970 24.582 536 HE1 HIS 73 HE1 HIS 73 -3.029 -11.798 27.736 537 HE2 HIS 73 HE2 HIS 73 -4.230 -9.934 26.604 538 H ILE 74 H ILE 74 0.408 -9.363 21.583 539 HA ILE 74 HA ILE 74 -0.208 -6.783 22.397 540 HB ILE 74 HB ILE 74 1.833 -7.940 20.505 541 1HG1 ILE 74 1HG1 ILE 74 2.269 -6.728 23.210 542 2HG1 ILE 74 2HG1 ILE 74 1.701 -8.383 23.047 543 1HG2 ILE 74 1HG2 ILE 74 1.411 -5.606 19.890 544 2HG2 ILE 74 2HG2 ILE 74 2.999 -5.786 20.655 545 3HG2 ILE 74 3HG2 ILE 74 1.638 -5.118 21.571 546 1HD1 ILE 74 1HD1 ILE 74 4.220 -7.263 21.887 547 2HD1 ILE 74 2HD1 ILE 74 3.575 -8.922 21.753 548 3HD1 ILE 74 3HD1 ILE 74 4.080 -8.301 23.336 549 H LEU 75 H LEU 75 -0.201 -8.340 19.190 550 HA LEU 75 HA LEU 75 -1.245 -6.229 17.665 551 1HB LEU 75 1HB LEU 75 -1.555 -9.209 17.363 552 2HB LEU 75 2HB LEU 75 -2.184 -8.076 16.189 553 HG LEU 75 HG LEU 75 0.728 -8.246 16.938 554 1HD1 LEU 75 1HD1 LEU 75 -0.751 -9.499 14.633 555 2HD1 LEU 75 2HD1 LEU 75 0.038 -10.353 15.960 556 3HD1 LEU 75 3HD1 LEU 75 1.004 -9.433 14.805 557 1HD2 LEU 75 1HD2 LEU 75 -0.732 -6.917 14.646 558 2HD2 LEU 75 2HD2 LEU 75 1.017 -7.000 14.832 559 3HD2 LEU 75 3HD2 LEU 75 0.054 -6.092 15.993 560 H SER 76 H SER 76 -2.896 -8.704 19.483 561 HA SER 76 HA SER 76 -5.536 -8.163 18.859 562 1HB SER 76 1HB SER 76 -4.815 -10.151 20.104 563 2HB SER 76 2HB SER 76 -4.351 -9.153 21.472 564 HG SER 76 HG SER 76 -6.254 -9.801 22.047 565 H ASN 77 H ASN 77 -3.419 -6.483 21.146 566 HA ASN 77 HA ASN 77 -5.667 -4.854 22.123 567 1HB ASN 77 1HB ASN 77 -2.909 -5.364 23.156 568 2HB ASN 77 2HB ASN 77 -3.791 -3.940 23.672 569 1HD2 ASN 77 1HD2 ASN 77 -5.391 -7.027 23.041 570 2HD2 ASN 77 2HD2 ASN 77 -5.747 -7.329 24.704 571 H ALA 78 H ALA 78 -3.243 -4.606 19.794 572 HA ALA 78 HA ALA 78 -2.701 -1.837 20.307 573 1HB ALA 78 1HB ALA 78 -1.073 -2.001 18.482 574 2HB ALA 78 2HB ALA 78 -1.681 -3.601 18.082 575 3HB ALA 78 3HB ALA 78 -0.870 -3.330 19.621 576 H VAL 79 H VAL 79 -3.527 -0.135 19.342 577 HA VAL 79 HA VAL 79 -4.932 -0.479 16.811 578 HB VAL 79 HB VAL 79 -6.917 0.517 17.486 579 1HG1 VAL 79 1HG1 VAL 79 -6.053 -0.667 20.003 580 2HG1 VAL 79 2HG1 VAL 79 -6.825 -1.418 18.608 581 3HG1 VAL 79 3HG1 VAL 79 -7.701 -0.211 19.560 582 1HG2 VAL 79 1HG2 VAL 79 -5.589 1.938 19.782 583 2HG2 VAL 79 2HG2 VAL 79 -7.289 2.055 19.220 584 3HG2 VAL 79 3HG2 VAL 79 -5.979 2.605 18.179 585 H GLY 80 H GLY 80 -5.407 2.074 16.051 586 1HA GLY 80 1HA GLY 80 -4.606 4.270 15.878 587 2HA GLY 80 2HA GLY 80 -3.165 3.806 16.780 588 H GLU 81 H GLU 81 -2.057 4.959 14.968 589 HA GLU 81 HA GLU 81 -1.872 3.505 12.515 590 1HB GLU 81 1HB GLU 81 0.018 5.590 13.681 591 2HB GLU 81 2HB GLU 81 0.125 4.944 12.064 592 1HG GLU 81 1HG GLU 81 -0.824 7.053 11.811 593 2HG GLU 81 2HG GLU 81 -2.182 5.943 11.676 594 H ILE 82 H ILE 82 -1.047 1.578 12.569 595 HA ILE 82 HA ILE 82 0.980 0.989 14.605 596 HB ILE 82 HB ILE 82 -0.885 -0.884 13.101 597 1HG1 ILE 82 1HG1 ILE 82 -0.813 -0.148 16.037 598 2HG1 ILE 82 2HG1 ILE 82 -1.884 0.596 14.866 599 1HG2 ILE 82 1HG2 ILE 82 1.143 -1.525 15.269 600 2HG2 ILE 82 2HG2 ILE 82 1.257 -2.017 13.583 601 3HG2 ILE 82 3HG2 ILE 82 -0.022 -2.667 14.603 602 1HD1 ILE 82 1HD1 ILE 82 -3.014 -1.503 14.515 603 2HD1 ILE 82 2HD1 ILE 82 -2.959 -1.127 16.227 604 3HD1 ILE 82 3HD1 ILE 82 -1.854 -2.332 15.556 605 H HIS 83 H HIS 83 2.932 0.841 13.928 606 HA HIS 83 HA HIS 83 3.477 0.574 11.035 607 1HB HIS 83 1HB HIS 83 5.369 1.464 13.257 608 2HB HIS 83 2HB HIS 83 5.651 1.569 11.529 609 HD1 HIS 83 HD1 HIS 83 5.439 3.884 10.683 610 HD2 HIS 83 HD2 HIS 83 3.040 3.263 14.017 611 HE1 HIS 83 HE1 HIS 83 4.312 6.098 11.147 612 HE2 HIS 83 HE2 HIS 83 3.071 5.730 13.324 613 H MET 84 H MET 84 3.856 -1.421 10.556 614 HA MET 84 HA MET 84 5.104 -3.112 12.592 615 1HB MET 84 1HB MET 84 2.578 -3.207 11.855 616 2HB MET 84 2HB MET 84 3.287 -3.968 10.436 617 1HG MET 84 1HG MET 84 4.161 -5.695 11.688 618 2HG MET 84 2HG MET 84 3.664 -4.888 13.215 619 1HE MET 84 1HE MET 84 2.615 -6.465 9.954 620 2HE MET 84 2HE MET 84 1.695 -4.954 9.936 621 3HE MET 84 3HE MET 84 0.843 -6.524 10.037 622 H LYS 85 H LYS 85 6.653 -4.676 11.639 623 HA LYS 85 HA LYS 85 7.438 -3.948 8.883 624 1HB LYS 85 1HB LYS 85 9.200 -4.882 11.149 625 2HB LYS 85 2HB LYS 85 9.714 -4.514 9.513 626 1HG LYS 85 1HG LYS 85 8.442 -2.503 11.252 627 2HG LYS 85 2HG LYS 85 10.202 -2.798 11.309 628 1HD LYS 85 1HD LYS 85 9.741 -2.468 8.654 629 2HD LYS 85 2HD LYS 85 8.483 -1.438 9.342 630 1HE LYS 85 1HE LYS 85 11.405 -1.321 9.999 631 2HE LYS 85 2HE LYS 85 10.562 -0.207 8.931 632 1HZ LYS 85 1HZ LYS 85 9.804 -0.502 11.822 633 2HZ LYS 85 2HZ LYS 85 9.504 0.826 10.767 634 3HZ LYS 85 3HZ LYS 85 11.047 0.452 11.269 635 H THR 86 H THR 86 7.384 -5.571 7.580 636 HA THR 86 HA THR 86 7.383 -8.252 8.751 637 HB THR 86 HB THR 86 5.719 -9.006 7.191 638 HG1 THR 86 HG1 THR 86 5.779 -6.312 6.257 639 1HG2 THR 86 1HG2 THR 86 4.679 -6.476 8.460 640 2HG2 THR 86 2HG2 THR 86 5.045 -7.934 9.340 641 3HG2 THR 86 3HG2 THR 86 3.754 -7.950 8.119 642 H MET 87 H MET 87 8.438 -9.834 7.607 643 HA MET 87 HA MET 87 9.968 -8.931 5.261 644 1HB MET 87 1HB MET 87 10.584 -11.052 7.359 645 2HB MET 87 2HB MET 87 11.566 -10.735 5.938 646 1HG MET 87 1HG MET 87 12.102 -8.536 6.737 647 2HG MET 87 2HG MET 87 11.002 -8.740 8.101 648 1HE MET 87 1HE MET 87 14.355 -10.011 6.446 649 2HE MET 87 2HE MET 87 13.463 -11.516 6.699 650 3HE MET 87 3HE MET 87 14.906 -11.179 7.649 651 HA PRO 88 HA PRO 88 7.796 -12.255 3.121 652 1HB PRO 88 1HB PRO 88 10.247 -13.351 1.936 653 2HB PRO 88 2HB PRO 88 8.926 -12.497 1.137 654 1HG PRO 88 1HG PRO 88 11.348 -11.382 1.405 655 2HG PRO 88 2HG PRO 88 9.864 -10.416 1.525 656 1HD PRO 88 1HD PRO 88 11.580 -11.520 3.736 657 2HD PRO 88 2HD PRO 88 10.917 -9.879 3.547 658 H ALA 89 H ALA 89 9.006 -12.803 5.697 659 HA ALA 89 HA ALA 89 9.144 -14.370 7.261 660 1HB ALA 89 1HB ALA 89 8.046 -16.506 6.956 661 2HB ALA 89 2HB ALA 89 7.993 -16.233 5.196 662 3HB ALA 89 3HB ALA 89 7.108 -15.165 6.299 663 H ALA 90 H ALA 90 11.246 -13.844 5.391 664 HA ALA 90 HA ALA 90 12.841 -16.235 5.439 665 1HB ALA 90 1HB ALA 90 14.561 -14.750 4.436 666 2HB ALA 90 2HB ALA 90 13.464 -13.383 4.617 667 3HB ALA 90 3HB ALA 90 13.055 -14.707 3.523
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