NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
635042 | 6g8o | 27432 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 -2.087 9.190 -9.800 2 H2 GLY 1 2H GLY 1 -0.772 10.239 -9.646 3 H3 GLY 1 3H GLY 1 -2.195 10.768 -10.397 4 HA2 GLY 1 2HA GLY 1 -1.838 10.083 -7.539 5 HA3 GLY 1 1HA GLY 1 -2.098 11.688 -8.205 6 HA PRO 2 HA PRO 2 -6.244 9.131 -8.221 7 HB2 PRO 2 1HB PRO 2 -5.999 7.760 -5.658 8 HB3 PRO 2 2HB PRO 2 -6.444 7.102 -7.233 9 HG2 PRO 2 1HG PRO 2 -4.096 6.522 -6.025 10 HG3 PRO 2 2HG PRO 2 -4.276 6.602 -7.788 11 HD2 PRO 2 1HD PRO 2 -3.131 8.628 -5.904 12 HD3 PRO 2 2HD PRO 2 -2.563 8.137 -7.515 13 H LYS 3 H LYS 3 -7.884 10.351 -7.508 14 HA LYS 3 HA LYS 3 -7.567 11.662 -4.890 15 HB2 LYS 3 1HB LYS 3 -9.247 12.569 -7.226 16 HB3 LYS 3 2HB LYS 3 -9.030 13.425 -5.710 17 HG2 LYS 3 1HG LYS 3 -6.928 12.895 -7.794 18 HG3 LYS 3 2HG LYS 3 -7.694 14.440 -7.438 19 HD2 LYS 3 1HD LYS 3 -5.895 12.859 -5.601 20 HD3 LYS 3 2HD LYS 3 -5.476 14.346 -6.449 21 HE2 LYS 3 1HE LYS 3 -7.203 15.542 -5.181 22 HE3 LYS 3 2HE LYS 3 -7.595 14.053 -4.323 23 HZ1 LYS 3 1HZ LYS 3 -5.178 14.054 -3.624 24 HZ2 LYS 3 2HZ LYS 3 -6.175 15.215 -2.911 25 HZ3 LYS 3 3HZ LYS 3 -5.114 15.664 -4.154 26 H THR 4 H THR 4 -9.234 9.360 -6.643 27 HA THR 4 HA THR 4 -11.412 9.365 -4.681 28 HB THR 4 HB THR 4 -12.852 8.358 -6.478 29 HG1 THR 4 HG1 THR 4 -10.753 9.318 -8.168 30 HG21 THR 4 1HG2 THR 4 -13.128 10.676 -5.845 31 HG22 THR 4 2HG2 THR 4 -13.312 10.515 -7.591 32 HG23 THR 4 3HG2 THR 4 -11.812 11.155 -6.917 33 H LEU 5 H LEU 5 -12.523 7.187 -4.595 34 HA LEU 5 HA LEU 5 -10.697 5.268 -3.718 35 HB2 LEU 5 1HB LEU 5 -13.071 5.546 -2.996 36 HB3 LEU 5 2HB LEU 5 -13.580 4.866 -4.523 37 HG LEU 5 HG LEU 5 -13.515 3.394 -2.378 38 HD11 LEU 5 1HD1 LEU 5 -14.121 2.527 -4.539 39 HD12 LEU 5 2HD1 LEU 5 -13.012 1.407 -3.747 40 HD13 LEU 5 3HD1 LEU 5 -12.427 2.470 -5.028 41 HD21 LEU 5 1HD2 LEU 5 -10.658 3.205 -3.301 42 HD22 LEU 5 2HD2 LEU 5 -11.425 2.209 -2.063 43 HD23 LEU 5 3HD2 LEU 5 -11.208 3.940 -1.796 44 H HIS 6 H HIS 6 -12.718 5.328 -6.619 45 HA HIS 6 HA HIS 6 -11.975 2.959 -7.800 46 HB2 HIS 6 1HB HIS 6 -13.778 4.242 -8.686 47 HB3 HIS 6 2HB HIS 6 -12.734 5.617 -8.995 48 HD1 HIS 6 HD1 HIS 6 -12.543 5.906 -11.423 49 HD2 HIS 6 HD2 HIS 6 -12.467 1.890 -10.352 50 HE1 HIS 6 HE1 HIS 6 -12.244 4.633 -13.572 51 HE2 HIS 6 HE2 HIS 6 -12.195 2.206 -12.905 52 H GLU 7 H GLU 7 -10.376 6.107 -8.094 53 HA GLU 7 HA GLU 7 -8.475 5.307 -10.015 54 HB2 GLU 7 1HB GLU 7 -8.376 7.519 -7.973 55 HB3 GLU 7 2HB GLU 7 -7.231 7.334 -9.292 56 HG2 GLU 7 1HG GLU 7 -9.006 7.647 -10.904 57 HG3 GLU 7 2HG GLU 7 -10.188 7.765 -9.600 58 H LEU 8 H LEU 8 -8.544 5.173 -6.524 59 HA LEU 8 HA LEU 8 -5.789 4.624 -6.157 60 HB2 LEU 8 1HB LEU 8 -7.442 5.462 -4.439 61 HB3 LEU 8 2HB LEU 8 -8.053 3.825 -4.339 62 HG LEU 8 HG LEU 8 -6.368 4.620 -2.571 63 HD11 LEU 8 1HD1 LEU 8 -5.989 2.055 -4.086 64 HD12 LEU 8 2HD1 LEU 8 -7.024 2.328 -2.684 65 HD13 LEU 8 3HD1 LEU 8 -5.270 2.396 -2.515 66 HD21 LEU 8 1HD2 LEU 8 -4.799 5.596 -4.218 67 HD22 LEU 8 2HD2 LEU 8 -4.425 3.963 -4.768 68 HD23 LEU 8 3HD2 LEU 8 -4.047 4.446 -3.114 69 H LEU 9 H LEU 9 -8.662 2.584 -6.463 70 HA LEU 9 HA LEU 9 -7.355 0.113 -6.176 71 HB2 LEU 9 1HB LEU 9 -9.896 0.975 -7.499 72 HB3 LEU 9 2HB LEU 9 -9.312 -0.658 -7.725 73 HG LEU 9 HG LEU 9 -10.999 -0.508 -5.950 74 HD11 LEU 9 1HD1 LEU 9 -9.326 -2.267 -5.865 75 HD12 LEU 9 2HD1 LEU 9 -9.777 -1.739 -4.243 76 HD13 LEU 9 3HD1 LEU 9 -8.250 -1.209 -4.951 77 HD21 LEU 9 1HD2 LEU 9 -10.518 0.586 -3.855 78 HD22 LEU 9 2HD2 LEU 9 -10.469 1.756 -5.175 79 HD23 LEU 9 3HD2 LEU 9 -8.967 1.148 -4.477 80 H GLU 10 H GLU 10 -7.893 2.179 -8.980 81 HA GLU 10 HA GLU 10 -6.779 0.454 -10.916 82 HB2 GLU 10 1HB GLU 10 -6.803 3.476 -10.861 83 HB3 GLU 10 2HB GLU 10 -6.478 2.484 -12.274 84 HG2 GLU 10 1HG GLU 10 -8.763 1.553 -12.079 85 HG3 GLU 10 2HG GLU 10 -9.065 2.683 -10.758 86 H ARG 11 H ARG 11 -5.400 2.669 -8.617 87 HA ARG 11 HA ARG 11 -2.843 2.949 -9.766 88 HB2 ARG 11 1HB ARG 11 -4.170 4.144 -7.724 89 HB3 ARG 11 2HB ARG 11 -3.080 3.100 -6.823 90 HG2 ARG 11 1HG ARG 11 -2.250 5.123 -8.888 91 HG3 ARG 11 2HG ARG 11 -2.173 5.340 -7.141 92 HD2 ARG 11 1HD ARG 11 -0.502 3.720 -6.903 93 HD3 ARG 11 2HD ARG 11 -0.786 3.071 -8.519 94 HE ARG 11 HE ARG 11 0.234 5.814 -8.176 95 HH11 ARG 11 1HH1 ARG 11 0.721 2.518 -9.300 96 HH12 ARG 11 2HH1 ARG 11 2.064 2.940 -10.308 97 HH21 ARG 11 1HH2 ARG 11 1.984 6.350 -9.522 98 HH22 ARG 11 2HH2 ARG 11 2.771 5.110 -10.447 99 H ILE 12 H ILE 12 -4.195 0.728 -7.386 100 HA ILE 12 HA ILE 12 -1.594 -0.544 -7.056 101 HB ILE 12 HB ILE 12 -2.610 -1.766 -5.211 102 HG12 ILE 12 1HG1 ILE 12 -5.125 -0.206 -5.856 103 HG13 ILE 12 2HG1 ILE 12 -4.909 -1.928 -6.149 104 HG21 ILE 12 1HG2 ILE 12 -1.616 0.401 -4.807 105 HG22 ILE 12 2HG2 ILE 12 -3.030 0.185 -3.768 106 HG23 ILE 12 3HG2 ILE 12 -3.140 1.198 -5.206 107 HD11 ILE 12 1HD1 ILE 12 -4.846 -0.577 -3.463 108 HD12 ILE 12 2HD1 ILE 12 -4.639 -2.305 -3.756 109 HD13 ILE 12 3HD1 ILE 12 -6.180 -1.526 -4.121 110 H GLY 13 H GLY 13 -4.344 -0.949 -8.943 111 HA2 GLY 13 1HA GLY 13 -4.469 -2.495 -10.697 112 HA3 GLY 13 2HA GLY 13 -3.268 -3.482 -9.884 113 H LEU 14 H LEU 14 -6.063 -2.282 -8.209 114 HA LEU 14 HA LEU 14 -7.229 -4.978 -8.307 115 HB2 LEU 14 1HB LEU 14 -6.909 -3.122 -5.979 116 HB3 LEU 14 2HB LEU 14 -8.204 -4.297 -6.004 117 HG LEU 14 HG LEU 14 -6.505 -5.307 -4.762 118 HD11 LEU 14 1HD1 LEU 14 -7.477 -6.770 -6.461 119 HD12 LEU 14 2HD1 LEU 14 -5.817 -7.213 -6.059 120 HD13 LEU 14 3HD1 LEU 14 -6.161 -6.350 -7.556 121 HD21 LEU 14 1HD2 LEU 14 -4.553 -4.483 -6.892 122 HD22 LEU 14 2HD2 LEU 14 -4.188 -5.496 -5.496 123 HD23 LEU 14 3HD2 LEU 14 -4.680 -3.821 -5.262 124 H GLU 15 H GLU 15 -7.750 -2.640 -9.982 125 HA GLU 15 HA GLU 15 -10.192 -1.449 -9.248 126 HB2 GLU 15 1HB GLU 15 -10.428 -0.866 -11.625 127 HB3 GLU 15 2HB GLU 15 -8.836 -0.479 -10.994 128 HG2 GLU 15 1HG GLU 15 -7.907 -2.443 -12.060 129 HG3 GLU 15 2HG GLU 15 -9.507 -2.908 -12.638 130 H GLU 16 H GLU 16 -9.438 -4.595 -10.260 131 HA GLU 16 HA GLU 16 -11.884 -5.481 -11.292 132 HB2 GLU 16 1HB GLU 16 -11.166 -7.704 -10.586 133 HB3 GLU 16 2HB GLU 16 -9.821 -6.827 -11.302 134 HG2 GLU 16 1HG GLU 16 -8.963 -6.309 -9.085 135 HG3 GLU 16 2HG GLU 16 -10.324 -7.154 -8.354 136 H HIS 17 H HIS 17 -10.966 -4.503 -8.127 137 HA HIS 17 HA HIS 17 -13.401 -5.709 -7.003 138 HB2 HIS 17 1HB HIS 17 -10.723 -5.157 -5.763 139 HB3 HIS 17 2HB HIS 17 -12.160 -5.346 -4.771 140 HD1 HIS 17 HD1 HIS 17 -13.545 -7.735 -5.731 141 HD2 HIS 17 HD2 HIS 17 -9.389 -7.493 -5.798 142 HE1 HIS 17 HE1 HIS 17 -12.725 -10.111 -5.788 143 HE2 HIS 17 HE2 HIS 17 -10.214 -9.954 -5.895 144 H THR 18 H THR 18 -12.524 -2.884 -8.228 145 HA THR 18 HA THR 18 -12.929 -0.957 -6.271 146 HB THR 18 HB THR 18 -14.009 -0.762 -9.077 147 HG1 THR 18 HG1 THR 18 -12.018 -0.615 -9.750 148 HG21 THR 18 1HG2 THR 18 -14.731 0.996 -7.538 149 HG22 THR 18 2HG2 THR 18 -13.637 1.633 -8.764 150 HG23 THR 18 3HG2 THR 18 -13.048 1.329 -7.130 151 H SER 19 H SER 19 -15.315 -2.652 -8.267 152 HA SER 19 HA SER 19 -17.593 -1.409 -7.202 153 HB2 SER 19 1HB SER 19 -17.404 -4.219 -8.286 154 HB3 SER 19 2HB SER 19 -18.840 -3.202 -8.211 155 HG SER 19 HG SER 19 -17.373 -3.396 -10.249 156 H THR 20 H THR 20 -15.759 -4.263 -6.201 157 HA THR 20 HA THR 20 -17.479 -5.244 -4.244 158 HB THR 20 HB THR 20 -14.479 -5.215 -3.942 159 HG1 THR 20 HG1 THR 20 -16.106 -6.709 -5.731 160 HG21 THR 20 1HG2 THR 20 -14.866 -7.406 -2.909 161 HG22 THR 20 2HG2 THR 20 -16.597 -7.235 -3.198 162 HG23 THR 20 3HG2 THR 20 -15.778 -6.138 -2.087 163 H LEU 21 H LEU 21 -14.780 -2.949 -3.921 164 HA LEU 21 HA LEU 21 -15.196 -2.304 -1.227 165 HB2 LEU 21 1HB LEU 21 -13.904 -0.891 -3.530 166 HB3 LEU 21 2HB LEU 21 -14.119 -0.046 -2.018 167 HG LEU 21 HG LEU 21 -11.922 -0.848 -1.961 168 HD11 LEU 21 1HD1 LEU 21 -13.206 -1.275 0.097 169 HD12 LEU 21 2HD1 LEU 21 -11.864 -2.397 -0.132 170 HD13 LEU 21 3HD1 LEU 21 -13.515 -2.917 -0.470 171 HD21 LEU 21 1HD2 LEU 21 -11.266 -3.137 -2.448 172 HD22 LEU 21 2HD2 LEU 21 -12.064 -2.395 -3.836 173 HD23 LEU 21 3HD2 LEU 21 -12.939 -3.545 -2.825 174 H LEU 22 H LEU 22 -16.288 -0.685 -4.172 175 HA LEU 22 HA LEU 22 -17.643 1.458 -3.076 176 HB2 LEU 22 1HB LEU 22 -17.093 0.874 -5.516 177 HB3 LEU 22 2HB LEU 22 -18.588 -0.037 -5.504 178 HG LEU 22 HG LEU 22 -19.800 2.059 -4.910 179 HD11 LEU 22 1HD1 LEU 22 -18.625 4.190 -5.286 180 HD12 LEU 22 2HD1 LEU 22 -17.109 3.302 -5.450 181 HD13 LEU 22 3HD1 LEU 22 -17.974 3.291 -3.915 182 HD21 LEU 22 1HD2 LEU 22 -19.700 1.241 -7.207 183 HD22 LEU 22 2HD2 LEU 22 -18.188 2.114 -7.458 184 HD23 LEU 22 3HD2 LEU 22 -19.681 3.004 -7.162 185 H LEU 23 H LEU 23 -18.920 -1.762 -3.869 186 HA LEU 23 HA LEU 23 -21.590 -1.211 -3.117 187 HB2 LEU 23 1HB LEU 23 -20.134 -3.840 -3.325 188 HB3 LEU 23 2HB LEU 23 -21.869 -3.664 -3.184 189 HG LEU 23 HG LEU 23 -20.188 -2.679 -5.490 190 HD11 LEU 23 1HD1 LEU 23 -21.288 -4.451 -6.762 191 HD12 LEU 23 2HD1 LEU 23 -22.089 -5.009 -5.293 192 HD13 LEU 23 3HD1 LEU 23 -20.334 -5.103 -5.431 193 HD21 LEU 23 1HD2 LEU 23 -22.120 -1.261 -5.136 194 HD22 LEU 23 2HD2 LEU 23 -23.174 -2.674 -5.072 195 HD23 LEU 23 3HD2 LEU 23 -22.352 -2.255 -6.575 196 H ASN 24 H ASN 24 -18.781 -2.205 -1.348 197 HA ASN 24 HA ASN 24 -20.390 -2.962 0.955 198 HB2 ASN 24 1HB ASN 24 -17.501 -3.278 0.248 199 HB3 ASN 24 2HB ASN 24 -18.022 -3.433 1.921 200 HD21 ASN 24 1HD2 ASN 24 -18.164 -4.787 -1.265 201 HD22 ASN 24 2HD2 ASN 24 -18.845 -6.317 -0.815 202 H GLY 25 H GLY 25 -19.616 -0.140 -0.226 203 HA2 GLY 25 1HA GLY 25 -20.280 1.778 1.013 204 HA3 GLY 25 2HA GLY 25 -19.698 1.000 2.475 205 H TYR 26 H TYR 26 -17.419 0.476 0.172 206 HA TYR 26 HA TYR 26 -15.778 2.651 1.207 207 HB2 TYR 26 1HB TYR 26 -15.083 0.226 -0.446 208 HB3 TYR 26 2HB TYR 26 -13.914 1.415 0.122 209 HD1 TYR 26 HD1 TYR 26 -13.557 1.678 2.580 210 HD2 TYR 26 HD2 TYR 26 -15.856 -1.500 0.948 211 HE1 TYR 26 HE1 TYR 26 -13.341 0.450 4.693 212 HE2 TYR 26 HE2 TYR 26 -15.649 -2.742 3.058 213 HH TYR 26 HH TYR 26 -14.698 -1.357 5.907 214 H GLN 27 H GLN 27 -16.675 4.358 0.108 215 HA GLN 27 HA GLN 27 -16.632 4.239 -2.823 216 HB2 GLN 27 1HB GLN 27 -18.020 6.266 -1.083 217 HB3 GLN 27 2HB GLN 27 -18.286 5.957 -2.793 218 HG2 GLN 27 1HG GLN 27 -19.204 3.769 -2.267 219 HG3 GLN 27 2HG GLN 27 -18.901 4.048 -0.556 220 HE21 GLN 27 1HE2 GLN 27 -20.880 4.848 -3.280 221 HE22 GLN 27 2HE2 GLN 27 -22.122 5.658 -2.395 222 H THR 28 H THR 28 -15.124 5.605 -0.117 223 HA THR 28 HA THR 28 -13.766 7.571 -1.831 224 HB THR 28 HB THR 28 -13.619 9.100 0.068 225 HG1 THR 28 HG1 THR 28 -15.334 7.278 1.447 226 HG21 THR 28 1HG2 THR 28 -16.004 9.714 0.252 227 HG22 THR 28 2HG2 THR 28 -16.437 8.167 -0.481 228 HG23 THR 28 3HG2 THR 28 -15.527 9.361 -1.409 229 H LEU 29 H LEU 29 -11.636 8.238 -0.931 230 HA LEU 29 HA LEU 29 -10.027 6.033 -0.173 231 HB2 LEU 29 1HB LEU 29 -9.454 8.992 0.044 232 HB3 LEU 29 2HB LEU 29 -8.258 7.710 0.116 233 HG LEU 29 HG LEU 29 -9.964 8.370 -2.288 234 HD11 LEU 29 1HD1 LEU 29 -7.897 9.197 -3.279 235 HD12 LEU 29 2HD1 LEU 29 -7.038 8.880 -1.770 236 HD13 LEU 29 3HD1 LEU 29 -8.308 10.104 -1.821 237 HD21 LEU 29 1HD2 LEU 29 -8.575 6.791 -3.470 238 HD22 LEU 29 2HD2 LEU 29 -9.360 5.996 -2.105 239 HD23 LEU 29 3HD2 LEU 29 -7.660 6.453 -2.002 240 H GLU 30 H GLU 30 -11.818 8.439 1.527 241 HA GLU 30 HA GLU 30 -10.638 8.117 4.084 242 HB2 GLU 30 1HB GLU 30 -13.399 9.086 3.340 243 HB3 GLU 30 2HB GLU 30 -12.630 9.290 4.910 244 HG2 GLU 30 1HG GLU 30 -10.849 10.609 3.810 245 HG3 GLU 30 2HG GLU 30 -11.739 10.484 2.297 246 H ASP 31 H ASP 31 -13.110 6.417 2.311 247 HA ASP 31 HA ASP 31 -13.913 4.824 4.577 248 HB2 ASP 31 1HB ASP 31 -14.410 4.418 1.618 249 HB3 ASP 31 2HB ASP 31 -15.122 3.450 2.900 250 H PHE 32 H PHE 32 -11.890 4.440 1.714 251 HA PHE 32 HA PHE 32 -11.352 1.704 2.091 252 HB2 PHE 32 1HB PHE 32 -11.076 2.977 -0.048 253 HB3 PHE 32 2HB PHE 32 -9.609 3.681 0.624 254 HD1 PHE 32 HD1 PHE 32 -7.619 2.329 0.933 255 HD2 PHE 32 HD2 PHE 32 -11.157 0.657 -0.719 256 HE1 PHE 32 HE1 PHE 32 -6.334 0.392 0.159 257 HE2 PHE 32 HE2 PHE 32 -9.874 -1.292 -1.498 258 HZ PHE 32 HZ PHE 32 -7.457 -1.423 -1.058 259 H LYS 33 H LYS 33 -9.791 4.583 3.367 260 HA LYS 33 HA LYS 33 -7.417 3.325 4.222 261 HB2 LYS 33 1HB LYS 33 -7.170 5.232 5.762 262 HB3 LYS 33 2HB LYS 33 -7.565 5.735 4.125 263 HG2 LYS 33 1HG LYS 33 -9.836 6.159 4.737 264 HG3 LYS 33 2HG LYS 33 -9.577 5.477 6.340 265 HD2 LYS 33 1HD LYS 33 -9.588 7.916 6.402 266 HD3 LYS 33 2HD LYS 33 -8.017 7.268 6.868 267 HE2 LYS 33 1HE LYS 33 -7.146 7.751 4.644 268 HE3 LYS 33 2HE LYS 33 -8.721 8.358 4.146 269 HZ1 LYS 33 1HZ LYS 33 -8.536 10.084 5.845 270 HZ2 LYS 33 2HZ LYS 33 -7.260 10.172 4.741 271 HZ3 LYS 33 3HZ LYS 33 -7.005 9.514 6.277 272 H GLU 34 H GLU 34 -10.578 2.885 5.237 273 HA GLU 34 HA GLU 34 -9.815 1.971 7.914 274 HB2 GLU 34 1HB GLU 34 -12.573 2.056 6.699 275 HB3 GLU 34 2HB GLU 34 -12.160 1.889 8.398 276 HG2 GLU 34 1HG GLU 34 -11.239 4.172 8.367 277 HG3 GLU 34 2HG GLU 34 -11.745 4.324 6.685 278 H LEU 35 H LEU 35 -9.951 0.830 4.850 279 HA LEU 35 HA LEU 35 -11.312 -1.636 5.121 280 HB2 LEU 35 1HB LEU 35 -10.854 -0.426 2.994 281 HB3 LEU 35 2HB LEU 35 -9.159 -0.813 3.167 282 HG LEU 35 HG LEU 35 -10.509 -2.187 1.524 283 HD11 LEU 35 1HD1 LEU 35 -9.304 -4.215 2.021 284 HD12 LEU 35 2HD1 LEU 35 -9.038 -3.681 3.679 285 HD13 LEU 35 3HD1 LEU 35 -8.283 -2.814 2.340 286 HD21 LEU 35 1HD2 LEU 35 -11.787 -4.049 2.426 287 HD22 LEU 35 2HD2 LEU 35 -12.484 -2.503 2.914 288 HD23 LEU 35 3HD2 LEU 35 -11.529 -3.442 4.061 289 H ARG 36 H ARG 36 -10.671 -3.473 6.023 290 HA ARG 36 HA ARG 36 -7.808 -3.871 6.560 291 HB2 ARG 36 1HB ARG 36 -10.077 -4.672 8.387 292 HB3 ARG 36 2HB ARG 36 -8.366 -4.916 8.691 293 HG2 ARG 36 1HG ARG 36 -9.800 -2.277 8.526 294 HG3 ARG 36 2HG ARG 36 -9.179 -3.055 9.984 295 HD2 ARG 36 1HD ARG 36 -6.905 -2.849 9.143 296 HD3 ARG 36 2HD ARG 36 -7.511 -2.135 7.650 297 HE ARG 36 HE ARG 36 -7.860 -0.854 10.285 298 HH11 ARG 36 1HH1 ARG 36 -6.989 -0.706 6.893 299 HH12 ARG 36 2HH1 ARG 36 -6.830 1.022 6.886 300 HH21 ARG 36 1HH2 ARG 36 -7.647 1.426 10.264 301 HH22 ARG 36 2HH2 ARG 36 -7.210 2.228 8.789 302 H GLU 37 H GLU 37 -7.375 -6.278 7.096 303 HA GLU 37 HA GLU 37 -8.187 -7.791 4.854 304 HB2 GLU 37 1HB GLU 37 -6.049 -8.142 6.067 305 HB3 GLU 37 2HB GLU 37 -6.959 -8.802 7.419 306 HG2 GLU 37 1HG GLU 37 -7.779 -10.602 6.013 307 HG3 GLU 37 2HG GLU 37 -6.906 -9.932 4.635 308 H THR 38 H THR 38 -9.136 -7.808 8.240 309 HA THR 38 HA THR 38 -10.920 -9.943 8.206 310 HB THR 38 HB THR 38 -11.311 -7.401 9.787 311 HG1 THR 38 HG1 THR 38 -9.606 -9.607 10.429 312 HG21 THR 38 1HG2 THR 38 -11.912 -10.299 10.386 313 HG22 THR 38 2HG2 THR 38 -13.091 -9.046 9.997 314 HG23 THR 38 3HG2 THR 38 -12.167 -8.952 11.497 315 H HIS 39 H HIS 39 -11.163 -6.752 6.907 316 HA HIS 39 HA HIS 39 -14.024 -6.809 6.572 317 HB2 HIS 39 1HB HIS 39 -11.930 -4.970 5.397 318 HB3 HIS 39 2HB HIS 39 -13.669 -4.760 5.206 319 HD1 HIS 39 HD1 HIS 39 -12.845 -2.375 6.382 320 HD2 HIS 39 HD2 HIS 39 -13.087 -5.763 8.770 321 HE1 HIS 39 HE1 HIS 39 -12.802 -1.537 8.747 322 HE2 HIS 39 HE2 HIS 39 -13.149 -3.586 10.168 323 H LEU 40 H LEU 40 -11.154 -7.316 4.579 324 HA LEU 40 HA LEU 40 -12.433 -7.852 2.146 325 HB2 LEU 40 1HB LEU 40 -9.802 -8.427 3.343 326 HB3 LEU 40 2HB LEU 40 -10.285 -9.501 2.048 327 HG LEU 40 HG LEU 40 -10.103 -7.873 0.445 328 HD11 LEU 40 1HD1 LEU 40 -10.287 -5.460 0.874 329 HD12 LEU 40 2HD1 LEU 40 -10.618 -5.811 2.571 330 HD13 LEU 40 3HD1 LEU 40 -11.742 -6.344 1.321 331 HD21 LEU 40 1HD2 LEU 40 -8.267 -6.832 2.586 332 HD22 LEU 40 2HD2 LEU 40 -8.120 -6.541 0.855 333 HD23 LEU 40 3HD2 LEU 40 -7.920 -8.169 1.495 334 H ASN 41 H ASN 41 -11.838 -9.865 4.941 335 HA ASN 41 HA ASN 41 -12.730 -12.323 4.006 336 HB2 ASN 41 1HB ASN 41 -12.965 -10.978 6.690 337 HB3 ASN 41 2HB ASN 41 -13.589 -12.599 6.417 338 HD21 ASN 41 1HD2 ASN 41 -12.128 -13.358 7.977 339 HD22 ASN 41 2HD2 ASN 41 -10.457 -13.590 7.598 340 H GLU 42 H GLU 42 -14.536 -9.536 5.155 341 HA GLU 42 HA GLU 42 -17.111 -10.745 4.914 342 HB2 GLU 42 1HB GLU 42 -16.265 -7.855 5.138 343 HB3 GLU 42 2HB GLU 42 -17.923 -8.423 5.251 344 HG2 GLU 42 1HG GLU 42 -15.675 -9.140 7.112 345 HG3 GLU 42 2HG GLU 42 -16.986 -8.010 7.445 346 H LEU 43 H LEU 43 -15.155 -8.577 2.947 347 HA LEU 43 HA LEU 43 -17.121 -8.219 0.911 348 HB2 LEU 43 1HB LEU 43 -14.207 -7.600 1.164 349 HB3 LEU 43 2HB LEU 43 -14.990 -7.467 -0.394 350 HG LEU 43 HG LEU 43 -16.595 -5.848 0.615 351 HD11 LEU 43 1HD1 LEU 43 -14.723 -5.967 2.964 352 HD12 LEU 43 2HD1 LEU 43 -16.410 -6.484 2.941 353 HD13 LEU 43 3HD1 LEU 43 -16.009 -4.782 2.725 354 HD21 LEU 43 1HD2 LEU 43 -14.659 -5.118 -0.669 355 HD22 LEU 43 2HD2 LEU 43 -13.690 -5.102 0.804 356 HD23 LEU 43 3HD2 LEU 43 -15.047 -3.986 0.626 357 H ASN 44 H ASN 44 -15.282 -10.803 1.759 358 HA ASN 44 HA ASN 44 -14.901 -12.843 0.873 359 HB2 ASN 44 1HB ASN 44 -17.292 -12.407 0.001 360 HB3 ASN 44 2HB ASN 44 -16.518 -12.099 -1.547 361 HD21 ASN 44 1HD2 ASN 44 -15.618 -13.803 -2.687 362 HD22 ASN 44 2HD2 ASN 44 -15.904 -15.454 -2.267 363 H ILE 45 H ILE 45 -13.243 -10.540 0.297 364 HA ILE 45 HA ILE 45 -12.044 -11.244 -2.270 365 HB ILE 45 HB ILE 45 -11.203 -9.137 -0.281 366 HG12 ILE 45 1HG1 ILE 45 -12.713 -8.848 -2.884 367 HG13 ILE 45 2HG1 ILE 45 -13.425 -8.711 -1.280 368 HG21 ILE 45 1HG2 ILE 45 -10.317 -9.632 -3.123 369 HG22 ILE 45 2HG2 ILE 45 -9.352 -9.895 -1.671 370 HG23 ILE 45 3HG2 ILE 45 -9.832 -8.259 -2.127 371 HD11 ILE 45 1HD1 ILE 45 -11.312 -6.908 -2.434 372 HD12 ILE 45 2HD1 ILE 45 -12.023 -6.770 -0.826 373 HD13 ILE 45 3HD1 ILE 45 -13.024 -6.528 -2.257 374 H MET 46 H MET 46 -11.491 -13.358 -1.602 375 HA MET 46 HA MET 46 -9.648 -13.658 0.614 376 HB2 MET 46 1HB MET 46 -10.763 -15.743 -1.262 377 HB3 MET 46 2HB MET 46 -9.901 -16.051 0.238 378 HG2 MET 46 1HG MET 46 -12.415 -14.442 0.259 379 HG3 MET 46 2HG MET 46 -12.489 -16.196 0.165 380 HE1 MET 46 1HE MET 46 -11.478 -13.091 2.162 381 HE2 MET 46 2HE MET 46 -9.926 -13.888 2.435 382 HE3 MET 46 3HE MET 46 -11.066 -13.699 3.764 383 H ASP 47 H ASP 47 -9.367 -12.718 -2.444 384 HA ASP 47 HA ASP 47 -7.252 -14.132 -3.595 385 HB2 ASP 47 1HB ASP 47 -7.860 -11.180 -3.722 386 HB3 ASP 47 2HB ASP 47 -6.787 -12.028 -4.820 387 HA PRO 48 HA PRO 48 -4.655 -13.402 -0.032 388 HB2 PRO 48 1HB PRO 48 -2.513 -14.539 -1.732 389 HB3 PRO 48 2HB PRO 48 -3.055 -15.021 -0.127 390 HG2 PRO 48 1HG PRO 48 -3.682 -16.474 -2.266 391 HG3 PRO 48 2HG PRO 48 -4.830 -16.247 -0.937 392 HD2 PRO 48 1HD PRO 48 -4.771 -14.962 -3.627 393 HD3 PRO 48 2HD PRO 48 -6.158 -15.500 -2.661 394 H GLN 49 H GLN 49 -2.906 -12.867 -3.109 395 HA GLN 49 HA GLN 49 -1.244 -10.871 -1.924 396 HB2 GLN 49 1HB GLN 49 -1.630 -11.870 -4.726 397 HB3 GLN 49 2HB GLN 49 -0.625 -10.468 -4.397 398 HG2 GLN 49 1HG GLN 49 0.876 -11.728 -3.082 399 HG3 GLN 49 2HG GLN 49 -0.217 -13.105 -3.023 400 HE21 GLN 49 1HE2 GLN 49 2.106 -11.362 -4.918 401 HE22 GLN 49 2HE2 GLN 49 2.300 -12.563 -6.144 402 H HIS 50 H HIS 50 -4.197 -10.863 -3.781 403 HA HIS 50 HA HIS 50 -4.261 -8.091 -4.362 404 HB2 HIS 50 1HB HIS 50 -6.516 -10.050 -3.976 405 HB3 HIS 50 2HB HIS 50 -6.721 -8.426 -4.605 406 HD1 HIS 50 HD1 HIS 50 -7.712 -10.366 -6.522 407 HD2 HIS 50 HD2 HIS 50 -3.642 -9.557 -6.268 408 HE1 HIS 50 HE1 HIS 50 -6.748 -11.046 -8.737 409 HE2 HIS 50 HE2 HIS 50 -4.301 -10.466 -8.597 410 H ARG 51 H ARG 51 -5.491 -10.029 -1.690 411 HA ARG 51 HA ARG 51 -6.588 -8.090 -0.052 412 HB2 ARG 51 1HB ARG 51 -4.988 -10.566 0.568 413 HB3 ARG 51 2HB ARG 51 -5.673 -9.563 1.837 414 HG2 ARG 51 1HG ARG 51 -7.853 -10.117 1.261 415 HG3 ARG 51 2HG ARG 51 -7.383 -10.673 -0.347 416 HD2 ARG 51 1HD ARG 51 -7.947 -12.450 1.403 417 HD3 ARG 51 2HD ARG 51 -6.467 -12.654 0.473 418 HE ARG 51 HE ARG 51 -6.090 -11.280 2.974 419 HH11 ARG 51 1HH1 ARG 51 -6.295 -14.416 1.437 420 HH12 ARG 51 2HH1 ARG 51 -5.285 -15.199 2.608 421 HH21 ARG 51 1HH2 ARG 51 -4.763 -12.306 4.531 422 HH22 ARG 51 2HH2 ARG 51 -4.421 -14.005 4.368 423 H ALA 52 H ALA 52 -3.270 -9.284 -0.092 424 HA ALA 52 HA ALA 52 -2.147 -7.672 1.822 425 HB1 ALA 52 1HB ALA 52 -0.016 -8.150 0.716 426 HB2 ALA 52 2HB ALA 52 -0.887 -8.715 -0.707 427 HB3 ALA 52 3HB ALA 52 -1.034 -9.583 0.819 428 H LYS 53 H LYS 53 -2.546 -7.010 -1.640 429 HA LYS 53 HA LYS 53 -1.286 -4.483 -1.609 430 HB2 LYS 53 1HB LYS 53 -3.463 -5.426 -3.483 431 HB3 LYS 53 2HB LYS 53 -2.346 -4.096 -3.763 432 HG2 LYS 53 1HG LYS 53 -0.507 -5.878 -3.483 433 HG3 LYS 53 2HG LYS 53 -1.809 -7.036 -3.754 434 HD2 LYS 53 1HD LYS 53 -0.936 -6.721 -5.881 435 HD3 LYS 53 2HD LYS 53 -2.308 -5.614 -5.860 436 HE2 LYS 53 1HE LYS 53 -0.835 -3.751 -5.374 437 HE3 LYS 53 2HE LYS 53 0.547 -4.846 -5.279 438 HZ1 LYS 53 1HZ LYS 53 0.551 -3.801 -7.407 439 HZ2 LYS 53 2HZ LYS 53 -1.066 -4.203 -7.687 440 HZ3 LYS 53 3HZ LYS 53 0.111 -5.417 -7.641 441 H LEU 54 H LEU 54 -4.728 -5.369 -1.494 442 HA LEU 54 HA LEU 54 -5.817 -2.832 -1.288 443 HB2 LEU 54 1HB LEU 54 -6.741 -5.425 -0.067 444 HB3 LEU 54 2HB LEU 54 -7.715 -3.972 -0.120 445 HG LEU 54 HG LEU 54 -6.656 -5.344 -2.585 446 HD11 LEU 54 1HD1 LEU 54 -8.931 -6.220 -2.858 447 HD12 LEU 54 2HD1 LEU 54 -9.350 -5.593 -1.263 448 HD13 LEU 54 3HD1 LEU 54 -8.136 -6.862 -1.421 449 HD21 LEU 54 1HD2 LEU 54 -8.762 -3.237 -2.150 450 HD22 LEU 54 2HD2 LEU 54 -8.407 -4.016 -3.691 451 HD23 LEU 54 3HD2 LEU 54 -7.187 -3.011 -2.909 452 H LEU 55 H LEU 55 -4.691 -4.972 1.309 453 HA LEU 55 HA LEU 55 -5.452 -3.295 3.440 454 HB2 LEU 55 1HB LEU 55 -3.441 -5.501 3.190 455 HB3 LEU 55 2HB LEU 55 -3.566 -4.571 4.668 456 HG LEU 55 HG LEU 55 -5.200 -5.894 5.373 457 HD11 LEU 55 1HD1 LEU 55 -7.357 -6.004 4.211 458 HD12 LEU 55 2HD1 LEU 55 -6.636 -5.170 2.833 459 HD13 LEU 55 3HD1 LEU 55 -6.760 -4.355 4.393 460 HD21 LEU 55 1HD2 LEU 55 -4.993 -7.218 2.677 461 HD22 LEU 55 2HD2 LEU 55 -5.880 -7.865 4.057 462 HD23 LEU 55 3HD2 LEU 55 -4.128 -7.666 4.148 463 H THR 56 H THR 56 -2.384 -3.630 1.719 464 HA THR 56 HA THR 56 -0.903 -1.816 3.264 465 HB THR 56 HB THR 56 -0.572 -2.447 0.332 466 HG1 THR 56 HG1 THR 56 -0.440 -4.365 1.368 467 HG21 THR 56 1HG2 THR 56 0.730 -0.503 1.097 468 HG22 THR 56 2HG2 THR 56 1.767 -1.876 0.698 469 HG23 THR 56 3HG2 THR 56 1.420 -1.494 2.384 470 H ALA 57 H ALA 57 -2.862 -1.387 0.363 471 HA ALA 57 HA ALA 57 -2.364 1.321 -0.064 472 HB1 ALA 57 1HB ALA 57 -4.766 -0.381 -0.660 473 HB2 ALA 57 2HB ALA 57 -3.466 0.089 -1.755 474 HB3 ALA 57 3HB ALA 57 -4.614 1.295 -1.178 475 H ALA 58 H ALA 58 -4.843 -0.298 1.883 476 HA ALA 58 HA ALA 58 -6.094 2.024 2.851 477 HB1 ALA 58 1HB ALA 58 -5.859 -0.667 4.187 478 HB2 ALA 58 2HB ALA 58 -7.072 -0.218 2.986 479 HB3 ALA 58 3HB ALA 58 -7.046 0.588 4.556 480 H GLU 59 H GLU 59 -3.360 0.144 4.056 481 HA GLU 59 HA GLU 59 -2.964 1.412 6.513 482 HB2 GLU 59 1HB GLU 59 -0.905 0.276 4.609 483 HB3 GLU 59 2HB GLU 59 -0.601 0.678 6.290 484 HG2 GLU 59 1HG GLU 59 -2.592 -1.369 5.362 485 HG3 GLU 59 2HG GLU 59 -0.946 -1.729 5.868 486 H LEU 60 H LEU 60 -1.509 2.114 3.347 487 HA LEU 60 HA LEU 60 -0.114 4.389 4.293 488 HB2 LEU 60 1HB LEU 60 -0.541 3.093 1.684 489 HB3 LEU 60 2HB LEU 60 -0.170 4.806 1.634 490 HG LEU 60 HG LEU 60 1.902 4.414 2.865 491 HD11 LEU 60 1HD1 LEU 60 1.265 2.526 4.214 492 HD12 LEU 60 2HD1 LEU 60 2.687 2.117 3.249 493 HD13 LEU 60 3HD1 LEU 60 1.096 1.516 2.775 494 HD21 LEU 60 1HD2 LEU 60 1.447 2.772 0.399 495 HD22 LEU 60 2HD2 LEU 60 3.042 3.010 1.113 496 HD23 LEU 60 3HD2 LEU 60 2.123 4.397 0.522 497 H LEU 61 H LEU 61 -3.246 4.020 2.634 498 HA LEU 61 HA LEU 61 -3.656 6.774 2.179 499 HB2 LEU 61 1HB LEU 61 -5.650 4.569 2.641 500 HB3 LEU 61 2HB LEU 61 -6.089 6.192 2.157 501 HG LEU 61 HG LEU 61 -4.493 4.196 0.562 502 HD11 LEU 61 1HD1 LEU 61 -7.057 5.511 -0.223 503 HD12 LEU 61 2HD1 LEU 61 -7.061 4.108 0.839 504 HD13 LEU 61 3HD1 LEU 61 -6.366 3.984 -0.776 505 HD21 LEU 61 1HD2 LEU 61 -5.206 7.056 -0.086 506 HD22 LEU 61 2HD2 LEU 61 -4.505 5.897 -1.216 507 HD23 LEU 61 3HD2 LEU 61 -3.584 6.421 0.194 508 H LEU 62 H LEU 62 -3.860 4.877 5.039 509 HA LEU 62 HA LEU 62 -5.595 6.597 6.491 510 HB2 LEU 62 1HB LEU 62 -5.187 4.187 6.985 511 HB3 LEU 62 2HB LEU 62 -3.586 4.619 7.550 512 HG LEU 62 HG LEU 62 -4.575 5.973 9.341 513 HD11 LEU 62 1HD1 LEU 62 -7.002 5.781 9.777 514 HD12 LEU 62 2HD1 LEU 62 -7.191 4.994 8.209 515 HD13 LEU 62 3HD1 LEU 62 -6.629 6.663 8.300 516 HD21 LEU 62 1HD2 LEU 62 -5.454 4.129 10.673 517 HD22 LEU 62 2HD2 LEU 62 -4.044 3.623 9.741 518 HD23 LEU 62 3HD2 LEU 62 -5.662 3.165 9.210 519 H ASP 63 H ASP 63 -2.181 6.518 5.867 520 HA ASP 63 HA ASP 63 -1.786 8.724 7.774 521 HB2 ASP 63 1HB ASP 63 0.092 6.643 6.708 522 HB3 ASP 63 2HB ASP 63 0.697 8.139 7.408 523 H TYR 64 H TYR 64 -1.279 7.728 4.466 524 HA TYR 64 HA TYR 64 0.020 10.268 3.815 525 HB2 TYR 64 1HB TYR 64 -0.243 7.677 2.291 526 HB3 TYR 64 2HB TYR 64 0.500 9.126 1.630 527 HD1 TYR 64 HD1 TYR 64 2.645 9.907 2.464 528 HD2 TYR 64 HD2 TYR 64 0.895 6.325 3.924 529 HE1 TYR 64 HE1 TYR 64 4.808 9.255 3.413 530 HE2 TYR 64 HE2 TYR 64 3.051 5.653 4.880 531 HH TYR 64 HH TYR 64 5.510 6.165 4.405 532 H ASP 65 H ASP 65 -2.674 10.542 4.338 533 HA ASP 65 HA ASP 65 -4.164 10.340 1.870 534 HB2 ASP 65 1HB ASP 65 -6.017 11.295 3.153 535 HB3 ASP 65 2HB ASP 65 -5.275 9.955 4.021 536 H THR 66 H THR 66 -1.934 11.856 1.507 537 HA THR 66 HA THR 66 -1.080 13.833 0.834 538 HB THR 66 HB THR 66 -2.641 15.259 -0.554 539 HG1 THR 66 HG1 THR 66 -4.499 13.907 0.740 540 HG21 THR 66 1HG2 THR 66 -1.243 13.462 -1.485 541 HG22 THR 66 2HG2 THR 66 -2.768 13.638 -2.352 542 HG23 THR 66 3HG2 THR 66 -2.554 12.319 -1.205 543 H GLY 67 H GLY 67 -1.793 13.879 3.557 544 HA2 GLY 67 1HA GLY 67 -3.051 16.459 4.038 545 HA3 GLY 67 2HA GLY 67 -2.490 15.325 5.260 546 H CYS 68 H CYS 68 -0.589 16.447 2.565 547 HA CYS 68 HA CYS 68 1.354 17.577 2.375 548 HB2 CYS 68 1HB CYS 68 0.353 18.982 4.848 549 HB3 CYS 68 2HB CYS 68 1.722 19.511 3.880 550 H GLU 69 H GLU 69 3.466 18.144 3.593 551 HA GLU 69 HA GLU 69 4.444 15.660 4.539 552 HB2 GLU 69 1HB GLU 69 5.777 18.369 4.498 553 HB3 GLU 69 2HB GLU 69 6.595 16.840 4.783 554 HG2 GLU 69 1HG GLU 69 5.951 16.092 2.541 555 HG3 GLU 69 2HG GLU 69 5.174 17.648 2.256 556 H1 GLY 1 1H GLY 1 2.239 6.892 11.005 557 H2 GLY 1 2H GLY 1 0.936 7.962 11.076 558 H3 GLY 1 3H GLY 1 2.362 8.310 11.919 559 HA2 GLY 1 2HA GLY 1 1.998 8.243 8.980 560 HA3 GLY 1 1HA GLY 1 2.280 9.667 9.967 561 HA PRO 2 HA PRO 2 6.390 7.112 9.423 562 HB2 PRO 2 1HB PRO 2 6.126 6.330 6.626 563 HB3 PRO 2 2HB PRO 2 6.561 5.342 8.020 564 HG2 PRO 2 1HG PRO 2 4.205 5.069 6.722 565 HG3 PRO 2 2HG PRO 2 4.385 4.763 8.459 566 HD2 PRO 2 1HD PRO 2 3.271 7.164 7.062 567 HD3 PRO 2 2HD PRO 2 2.695 6.344 8.530 568 H LYS 3 H LYS 3 8.045 8.438 8.988 569 HA LYS 3 HA LYS 3 7.748 10.288 6.718 570 HB2 LYS 3 1HB LYS 3 9.438 10.650 9.194 571 HB3 LYS 3 2HB LYS 3 9.233 11.813 7.896 572 HG2 LYS 3 1HG LYS 3 7.121 10.879 9.822 573 HG3 LYS 3 2HG LYS 3 7.906 12.456 9.803 574 HD2 LYS 3 1HD LYS 3 6.093 11.321 7.675 575 HD3 LYS 3 2HD LYS 3 5.689 12.598 8.817 576 HE2 LYS 3 1HE LYS 3 7.431 14.016 7.829 577 HE3 LYS 3 2HE LYS 3 7.808 12.738 6.676 578 HZ1 LYS 3 1HZ LYS 3 5.397 12.915 5.983 579 HZ2 LYS 3 2HZ LYS 3 6.402 14.199 5.547 580 HZ3 LYS 3 3HZ LYS 3 5.339 14.370 6.856 581 H THR 4 H THR 4 9.379 7.638 7.923 582 HA THR 4 HA THR 4 11.558 8.039 6.007 583 HB THR 4 HB THR 4 12.987 6.646 7.533 584 HG1 THR 4 HG1 THR 4 10.894 7.245 9.393 585 HG21 THR 4 1HG2 THR 4 13.293 9.041 7.410 586 HG22 THR 4 2HG2 THR 4 13.477 8.506 9.080 587 HG23 THR 4 3HG2 THR 4 11.986 9.295 8.566 588 H LEU 5 H LEU 5 12.635 5.930 5.428 589 HA LEU 5 HA LEU 5 10.792 4.253 4.180 590 HB2 LEU 5 1HB LEU 5 13.168 4.652 3.532 591 HB3 LEU 5 2HB LEU 5 13.669 3.655 4.877 592 HG LEU 5 HG LEU 5 13.585 2.679 2.463 593 HD11 LEU 5 1HD1 LEU 5 14.178 1.356 4.382 594 HD12 LEU 5 2HD1 LEU 5 13.051 0.450 3.370 595 HD13 LEU 5 3HD1 LEU 5 12.484 1.219 4.854 596 HD21 LEU 5 1HD2 LEU 5 10.724 2.332 3.330 597 HD22 LEU 5 2HD2 LEU 5 11.479 1.620 1.905 598 HD23 LEU 5 3HD2 LEU 5 11.285 3.370 2.018 599 H HIS 6 H HIS 6 12.812 3.664 7.023 600 HA HIS 6 HA HIS 6 12.036 1.106 7.664 601 HB2 HIS 6 1HB HIS 6 13.854 2.144 8.805 602 HB3 HIS 6 2HB HIS 6 12.826 3.430 9.409 603 HD1 HIS 6 HD1 HIS 6 12.651 3.182 11.843 604 HD2 HIS 6 HD2 HIS 6 12.509 -0.501 9.920 605 HE1 HIS 6 HE1 HIS 6 12.333 1.479 13.661 606 HE2 HIS 6 HE2 HIS 6 12.219 -0.743 12.477 607 H GLU 7 H GLU 7 10.477 4.135 8.633 608 HA GLU 7 HA GLU 7 8.567 2.964 10.345 609 HB2 GLU 7 1HB GLU 7 8.497 5.564 8.825 610 HB3 GLU 7 2HB GLU 7 7.348 5.114 10.076 611 HG2 GLU 7 1HG GLU 7 9.125 5.057 11.716 612 HG3 GLU 7 2HG GLU 7 10.312 5.434 10.465 613 H LEU 8 H LEU 8 8.633 3.588 6.905 614 HA LEU 8 HA LEU 8 5.873 3.164 6.437 615 HB2 LEU 8 1HB LEU 8 7.534 4.333 4.935 616 HB3 LEU 8 2HB LEU 8 8.127 2.749 4.481 617 HG LEU 8 HG LEU 8 6.453 3.927 2.933 618 HD11 LEU 8 1HD1 LEU 8 6.040 1.100 3.859 619 HD12 LEU 8 2HD1 LEU 8 7.077 1.658 2.544 620 HD13 LEU 8 3HD1 LEU 8 5.324 1.781 2.402 621 HD21 LEU 8 1HD2 LEU 8 4.898 4.549 4.753 622 HD22 LEU 8 2HD2 LEU 8 4.498 2.841 4.942 623 HD23 LEU 8 3HD2 LEU 8 4.129 3.675 3.431 624 H LEU 9 H LEU 9 8.719 1.069 6.287 625 HA LEU 9 HA LEU 9 7.378 -1.263 5.476 626 HB2 LEU 9 1HB LEU 9 9.929 -0.737 6.945 627 HB3 LEU 9 2HB LEU 9 9.324 -2.373 6.819 628 HG LEU 9 HG LEU 9 11.012 -1.869 5.113 629 HD11 LEU 9 1HD1 LEU 9 9.315 -3.545 4.655 630 HD12 LEU 9 2HD1 LEU 9 9.775 -2.685 3.184 631 HD13 LEU 9 3HD1 LEU 9 8.255 -2.300 3.992 632 HD21 LEU 9 1HD2 LEU 9 10.547 -0.344 3.304 633 HD22 LEU 9 2HD2 LEU 9 10.513 0.516 4.844 634 HD23 LEU 9 3HD2 LEU 9 9.003 0.094 4.035 635 H GLU 10 H GLU 10 7.945 0.143 8.657 636 HA GLU 10 HA GLU 10 6.814 -1.943 10.180 637 HB2 GLU 10 1HB GLU 10 6.878 1.019 10.772 638 HB3 GLU 10 2HB GLU 10 6.530 -0.245 11.940 639 HG2 GLU 10 1HG GLU 10 8.802 -1.154 11.541 640 HG3 GLU 10 2HG GLU 10 9.127 0.238 10.508 641 H ARG 11 H ARG 11 5.456 0.743 8.434 642 HA ARG 11 HA ARG 11 2.901 0.791 9.612 643 HB2 ARG 11 1HB ARG 11 4.248 2.376 7.868 644 HB3 ARG 11 2HB ARG 11 3.141 1.566 6.770 645 HG2 ARG 11 1HG ARG 11 2.343 3.110 9.226 646 HG3 ARG 11 2HG ARG 11 2.271 3.700 7.565 647 HD2 ARG 11 1HD ARG 11 0.576 2.196 6.986 648 HD3 ARG 11 2HD ARG 11 0.846 1.207 8.421 649 HE ARG 11 HE ARG 11 -0.131 3.974 8.687 650 HH11 ARG 11 1HH1 ARG 11 -0.661 0.522 9.064 651 HH12 ARG 11 2HH1 ARG 11 -1.998 0.727 10.146 652 HH21 ARG 11 1HH2 ARG 11 -1.874 4.234 10.114 653 HH22 ARG 11 2HH2 ARG 11 -2.682 2.839 10.757 654 H ILE 12 H ILE 12 4.222 -0.877 6.803 655 HA ILE 12 HA ILE 12 1.606 -2.012 6.211 656 HB ILE 12 HB ILE 12 2.609 -2.827 4.146 657 HG12 ILE 12 1HG1 ILE 12 5.145 -1.475 5.104 658 HG13 ILE 12 2HG1 ILE 12 4.906 -3.217 5.019 659 HG21 ILE 12 1HG2 ILE 12 1.645 -0.608 4.219 660 HG22 ILE 12 2HG2 ILE 12 3.055 -0.618 3.154 661 HG23 ILE 12 3HG2 ILE 12 3.180 0.061 4.776 662 HD11 ILE 12 1HD1 ILE 12 4.862 -1.317 2.688 663 HD12 ILE 12 2HD1 ILE 12 4.630 -3.064 2.601 664 HD13 ILE 12 3HD1 ILE 12 6.182 -2.403 3.122 665 H GLY 13 H GLY 13 4.358 -2.854 7.951 666 HA2 GLY 13 1HA GLY 13 4.457 -4.743 9.335 667 HA3 GLY 13 2HA GLY 13 3.240 -5.515 8.333 668 H LEU 14 H LEU 14 6.055 -4.020 6.952 669 HA LEU 14 HA LEU 14 7.179 -6.691 6.462 670 HB2 LEU 14 1HB LEU 14 6.887 -4.372 4.590 671 HB3 LEU 14 2HB LEU 14 8.168 -5.542 4.359 672 HG LEU 14 HG LEU 14 6.455 -6.238 2.929 673 HD11 LEU 14 1HD1 LEU 14 7.406 -8.047 4.271 674 HD12 LEU 14 2HD1 LEU 14 5.740 -8.371 3.787 675 HD13 LEU 14 3HD1 LEU 14 6.095 -7.855 5.434 676 HD21 LEU 14 1HD2 LEU 14 4.514 -5.869 5.193 677 HD22 LEU 14 2HD2 LEU 14 4.134 -6.550 3.611 678 HD23 LEU 14 3HD2 LEU 14 4.650 -4.870 3.745 679 H GLU 15 H GLU 15 7.738 -4.789 8.604 680 HA GLU 15 HA GLU 15 10.191 -3.488 8.129 681 HB2 GLU 15 1HB GLU 15 10.440 -3.433 10.577 682 HB3 GLU 15 2HB GLU 15 8.854 -2.896 10.049 683 HG2 GLU 15 1HG GLU 15 7.897 -5.030 10.671 684 HG3 GLU 15 2HG GLU 15 9.490 -5.628 11.135 685 H GLU 16 H GLU 16 9.397 -6.767 8.446 686 HA GLU 16 HA GLU 16 11.830 -7.886 9.250 687 HB2 GLU 16 1HB GLU 16 11.086 -9.895 8.087 688 HB3 GLU 16 2HB GLU 16 9.752 -9.178 8.976 689 HG2 GLU 16 1HG GLU 16 8.890 -8.196 6.924 690 HG3 GLU 16 2HG GLU 16 10.246 -8.872 6.023 691 H HIS 17 H HIS 17 10.923 -6.242 6.373 692 HA HIS 17 HA HIS 17 13.343 -7.205 5.011 693 HB2 HIS 17 1HB HIS 17 10.673 -6.362 3.928 694 HB3 HIS 17 2HB HIS 17 12.108 -6.352 2.915 695 HD1 HIS 17 HD1 HIS 17 13.464 -8.902 3.350 696 HD2 HIS 17 HD2 HIS 17 9.309 -8.635 3.455 697 HE1 HIS 17 HE1 HIS 17 12.619 -11.225 2.882 698 HE2 HIS 17 HE2 HIS 17 10.107 -11.069 3.013 699 H THR 18 H THR 18 12.496 -4.696 6.816 700 HA THR 18 HA THR 18 12.938 -2.400 5.324 701 HB THR 18 HB THR 18 14.021 -2.828 8.104 702 HG1 THR 18 HG1 THR 18 12.028 -2.822 8.788 703 HG21 THR 18 1HG2 THR 18 14.764 -0.790 6.977 704 HG22 THR 18 2HG2 THR 18 13.675 -0.415 8.311 705 HG23 THR 18 3HG2 THR 18 13.086 -0.358 6.650 706 H SER 19 H SER 19 15.298 -4.517 6.902 707 HA SER 19 HA SER 19 17.593 -3.113 6.126 708 HB2 SER 19 1HB SER 19 17.374 -6.090 6.558 709 HB3 SER 19 2HB SER 19 18.810 -5.087 6.740 710 HG SER 19 HG SER 19 17.345 -5.730 8.668 711 H THR 20 H THR 20 15.723 -5.663 4.537 712 HA THR 20 HA THR 20 17.428 -6.212 2.405 713 HB THR 20 HB THR 20 14.430 -6.073 2.117 714 HG1 THR 20 HG1 THR 20 16.021 -7.947 3.539 715 HG21 THR 20 1HG2 THR 20 14.788 -7.995 0.636 716 HG22 THR 20 2HG2 THR 20 16.520 -7.914 0.951 717 HG23 THR 20 3HG2 THR 20 15.716 -6.593 0.105 718 H LEU 21 H LEU 21 14.760 -3.863 2.595 719 HA LEU 21 HA LEU 21 15.187 -2.658 0.103 720 HB2 LEU 21 1HB LEU 21 13.912 -1.758 2.658 721 HB3 LEU 21 2HB LEU 21 14.140 -0.610 1.363 722 HG LEU 21 HG LEU 21 11.931 -1.351 1.140 723 HD11 LEU 21 1HD1 LEU 21 13.210 -1.340 -0.963 724 HD12 LEU 21 2HD1 LEU 21 11.854 -2.467 -0.980 725 HD13 LEU 21 3HD1 LEU 21 13.497 -3.069 -0.765 726 HD21 LEU 21 1HD2 LEU 21 11.244 -3.683 1.123 727 HD22 LEU 21 2HD2 LEU 21 12.048 -3.270 2.637 728 HD23 LEU 21 3HD2 LEU 21 12.911 -4.185 1.400 729 H LEU 22 H LEU 22 16.301 -1.729 3.326 730 HA LEU 22 HA LEU 22 17.680 0.583 2.712 731 HB2 LEU 22 1HB LEU 22 17.124 -0.505 4.969 732 HB3 LEU 22 2HB LEU 22 18.607 -1.413 4.756 733 HG LEU 22 HG LEU 22 19.847 0.746 4.626 734 HD11 LEU 22 1HD1 LEU 22 18.700 2.760 5.455 735 HD12 LEU 22 2HD1 LEU 22 17.172 1.879 5.427 736 HD13 LEU 22 3HD1 LEU 22 18.040 2.189 3.924 737 HD21 LEU 22 1HD2 LEU 22 19.733 -0.545 6.692 738 HD22 LEU 22 2HD2 LEU 22 18.234 0.273 7.129 739 HD23 LEU 22 3HD2 LEU 22 19.740 1.185 7.028 740 H LEU 23 H LEU 23 18.913 -2.747 2.785 741 HA LEU 23 HA LEU 23 21.591 -2.082 2.167 742 HB2 LEU 23 1HB LEU 23 20.101 -4.676 1.802 743 HB3 LEU 23 2HB LEU 23 21.839 -4.493 1.699 744 HG LEU 23 HG LEU 23 20.175 -4.010 4.169 745 HD11 LEU 23 1HD1 LEU 23 21.244 -6.030 5.022 746 HD12 LEU 23 2HD1 LEU 23 22.035 -6.270 3.464 747 HD13 LEU 23 3HD1 LEU 23 20.278 -6.362 3.585 748 HD21 LEU 23 1HD2 LEU 23 22.128 -2.584 4.126 749 HD22 LEU 23 2HD2 LEU 23 23.159 -3.963 3.749 750 HD23 LEU 23 3HD2 LEU 23 22.347 -3.871 5.311 751 H ASN 24 H ASN 24 18.773 -2.632 0.227 752 HA ASN 24 HA ASN 24 20.373 -2.897 -2.189 753 HB2 ASN 24 1HB ASN 24 17.482 -3.321 -1.551 754 HB3 ASN 24 2HB ASN 24 17.994 -3.117 -3.222 755 HD21 ASN 24 1HD2 ASN 24 18.123 -5.135 -0.406 756 HD22 ASN 24 2HD2 ASN 24 18.779 -6.539 -1.186 757 H GLY 25 H GLY 25 19.637 -0.389 -0.426 758 HA2 GLY 25 1HA GLY 25 20.327 1.743 -1.223 759 HA3 GLY 25 2HA GLY 25 19.732 1.308 -2.815 760 H TYR 26 H TYR 26 17.442 0.328 -0.679 761 HA TYR 26 HA TYR 26 15.833 2.701 -1.205 762 HB2 TYR 26 1HB TYR 26 15.107 -0.012 -0.111 763 HB3 TYR 26 2HB TYR 26 13.954 1.286 -0.409 764 HD1 TYR 26 HD1 TYR 26 13.601 2.071 -2.756 765 HD2 TYR 26 HD2 TYR 26 15.858 -1.411 -1.844 766 HE1 TYR 26 HE1 TYR 26 13.371 1.322 -5.083 767 HE2 TYR 26 HE2 TYR 26 15.640 -2.170 -4.169 768 HH TYR 26 HH TYR 26 14.686 -0.187 -6.655 769 H GLN 27 H GLN 27 16.752 4.115 0.232 770 HA GLN 27 HA GLN 27 16.708 3.368 3.069 771 HB2 GLN 27 1HB GLN 27 18.130 5.701 1.803 772 HB3 GLN 27 2HB GLN 27 18.390 5.029 3.405 773 HG2 GLN 27 1HG GLN 27 19.277 2.991 2.424 774 HG3 GLN 27 2HG GLN 27 18.975 3.629 0.811 775 HE21 GLN 27 1HE2 GLN 27 20.982 3.797 3.627 776 HE22 GLN 27 2HE2 GLN 27 22.227 4.768 2.928 777 H THR 28 H THR 28 15.216 5.294 0.720 778 HA THR 28 HA THR 28 13.890 6.863 2.819 779 HB THR 28 HB THR 28 13.762 8.773 1.302 780 HG1 THR 28 HG1 THR 28 15.452 7.264 -0.444 781 HG21 THR 28 1HG2 THR 28 16.156 9.380 1.256 782 HG22 THR 28 2HG2 THR 28 16.567 7.704 1.629 783 HG23 THR 28 3HG2 THR 28 15.671 8.676 2.798 784 H LEU 29 H LEU 29 11.770 7.739 2.104 785 HA LEU 29 HA LEU 29 10.131 5.777 0.889 786 HB2 LEU 29 1HB LEU 29 9.592 8.721 1.314 787 HB3 LEU 29 2HB LEU 29 8.382 7.497 0.973 788 HG LEU 29 HG LEU 29 10.097 7.602 3.456 789 HD11 LEU 29 1HD1 LEU 29 8.041 8.222 4.609 790 HD12 LEU 29 2HD1 LEU 29 7.180 8.255 3.070 791 HD13 LEU 29 3HD1 LEU 29 8.467 9.419 3.384 792 HD21 LEU 29 1HD2 LEU 29 8.683 5.825 4.274 793 HD22 LEU 29 2HD2 LEU 29 9.458 5.333 2.767 794 HD23 LEU 29 3HD2 LEU 29 7.766 5.826 2.769 795 H GLU 30 H GLU 30 11.942 8.482 -0.256 796 HA GLU 30 HA GLU 30 10.768 8.723 -2.822 797 HB2 GLU 30 1HB GLU 30 13.537 9.484 -1.887 798 HB3 GLU 30 2HB GLU 30 12.779 10.021 -3.381 799 HG2 GLU 30 1HG GLU 30 11.003 11.102 -2.038 800 HG3 GLU 30 2HG GLU 30 11.878 10.645 -0.580 801 H ASP 31 H ASP 31 13.214 6.648 -1.457 802 HA ASP 31 HA ASP 31 14.004 5.575 -4.017 803 HB2 ASP 31 1HB ASP 31 14.492 4.531 -1.217 804 HB3 ASP 31 2HB ASP 31 15.186 3.848 -2.679 805 H PHE 32 H PHE 32 11.973 4.608 -1.306 806 HA PHE 32 HA PHE 32 11.399 2.023 -2.265 807 HB2 PHE 32 1HB PHE 32 11.140 2.808 0.099 808 HB3 PHE 32 2HB PHE 32 9.684 3.659 -0.400 809 HD1 PHE 32 HD1 PHE 32 7.673 2.432 -0.990 810 HD2 PHE 32 HD2 PHE 32 11.188 0.396 0.255 811 HE1 PHE 32 HE1 PHE 32 6.361 0.390 -0.648 812 HE2 PHE 32 HE2 PHE 32 9.877 -1.657 0.600 813 HZ PHE 32 HZ PHE 32 7.460 -1.658 0.149 814 H LYS 33 H LYS 33 9.874 5.130 -2.885 815 HA LYS 33 HA LYS 33 7.482 4.114 -3.983 816 HB2 LYS 33 1HB LYS 33 7.261 6.314 -5.071 817 HB3 LYS 33 2HB LYS 33 7.667 6.446 -3.367 818 HG2 LYS 33 1HG LYS 33 9.943 6.963 -3.883 819 HG3 LYS 33 2HG LYS 33 9.673 6.644 -5.596 820 HD2 LYS 33 1HD LYS 33 9.715 9.039 -5.133 821 HD3 LYS 33 2HD LYS 33 8.136 8.527 -5.719 822 HE2 LYS 33 1HE LYS 33 7.275 8.527 -3.441 823 HE3 LYS 33 2HE LYS 33 8.860 8.983 -2.828 824 HZ1 LYS 33 1HZ LYS 33 8.700 11.049 -4.097 825 HZ2 LYS 33 2HZ LYS 33 7.429 10.902 -2.993 826 HZ3 LYS 33 3HZ LYS 33 7.158 10.611 -4.637 827 H GLU 34 H GLU 34 10.635 3.864 -5.078 828 HA GLU 34 HA GLU 34 9.865 3.555 -7.890 829 HB2 GLU 34 1HB GLU 34 12.624 3.346 -6.691 830 HB3 GLU 34 2HB GLU 34 12.209 3.556 -8.384 831 HG2 GLU 34 1HG GLU 34 11.295 5.782 -7.840 832 HG3 GLU 34 2HG GLU 34 11.838 5.563 -6.178 833 H LEU 35 H LEU 35 9.975 1.784 -5.147 834 HA LEU 35 HA LEU 35 11.309 -0.585 -5.943 835 HB2 LEU 35 1HB LEU 35 10.872 0.145 -3.604 836 HB3 LEU 35 2HB LEU 35 9.172 -0.172 -3.848 837 HG LEU 35 HG LEU 35 10.501 -1.887 -2.548 838 HD11 LEU 35 1HD1 LEU 35 9.271 -3.745 -3.467 839 HD12 LEU 35 2HD1 LEU 35 9.011 -2.862 -4.970 840 HD13 LEU 35 3HD1 LEU 35 8.267 -2.294 -3.473 841 HD21 LEU 35 1HD2 LEU 35 11.753 -3.528 -3.836 842 HD22 LEU 35 2HD2 LEU 35 12.471 -1.924 -3.982 843 HD23 LEU 35 3HD2 LEU 35 11.500 -2.580 -5.299 844 H ARG 36 H ARG 36 10.645 -2.170 -7.219 845 HA ARG 36 HA ARG 36 7.778 -2.411 -7.815 846 HB2 ARG 36 1HB ARG 36 10.035 -2.827 -9.780 847 HB3 ARG 36 2HB ARG 36 8.321 -2.974 -10.124 848 HG2 ARG 36 1HG ARG 36 9.794 -0.454 -9.396 849 HG3 ARG 36 2HG ARG 36 9.164 -0.890 -10.985 850 HD2 ARG 36 1HD ARG 36 6.892 -0.841 -10.115 851 HD3 ARG 36 2HD ARG 36 7.506 -0.471 -8.505 852 HE ARG 36 HE ARG 36 7.872 1.342 -10.804 853 HH11 ARG 36 1HH1 ARG 36 6.999 0.765 -7.460 854 HH12 ARG 36 2HH1 ARG 36 6.861 2.452 -7.077 855 HH21 ARG 36 1HH2 ARG 36 7.692 3.568 -10.289 856 HH22 ARG 36 2HH2 ARG 36 7.258 4.035 -8.674 857 H GLU 37 H GLU 37 7.311 -4.634 -8.856 858 HA GLU 37 HA GLU 37 8.104 -6.609 -7.003 859 HB2 GLU 37 1HB GLU 37 5.961 -6.660 -8.259 860 HB3 GLU 37 2HB GLU 37 6.864 -7.029 -9.723 861 HG2 GLU 37 1HG GLU 37 7.667 -9.093 -8.728 862 HG3 GLU 37 2HG GLU 37 6.795 -8.723 -7.241 863 H THR 38 H THR 38 9.060 -5.899 -10.310 864 HA THR 38 HA THR 38 10.809 -8.019 -10.746 865 HB THR 38 HB THR 38 11.230 -5.202 -11.739 866 HG1 THR 38 HG1 THR 38 9.521 -7.192 -12.865 867 HG21 THR 38 1HG2 THR 38 11.799 -7.909 -12.950 868 HG22 THR 38 2HG2 THR 38 12.993 -6.782 -12.306 869 HG23 THR 38 3HG2 THR 38 12.067 -6.360 -13.747 870 H HIS 39 H HIS 39 11.100 -5.190 -8.792 871 HA HIS 39 HA HIS 39 13.962 -5.352 -8.481 872 HB2 HIS 39 1HB HIS 39 11.882 -3.789 -6.939 873 HB3 HIS 39 2HB HIS 39 13.620 -3.644 -6.703 874 HD1 HIS 39 HD1 HIS 39 12.826 -1.050 -7.343 875 HD2 HIS 39 HD2 HIS 39 13.039 -3.852 -10.403 876 HE1 HIS 39 HE1 HIS 39 12.795 0.275 -9.472 877 HE2 HIS 39 HE2 HIS 39 13.104 -1.427 -11.303 878 H LEU 40 H LEU 40 11.079 -6.241 -6.640 879 HA LEU 40 HA LEU 40 12.346 -7.309 -4.382 880 HB2 LEU 40 1HB LEU 40 9.709 -7.571 -5.672 881 HB3 LEU 40 2HB LEU 40 10.175 -8.909 -4.642 882 HG LEU 40 HG LEU 40 10.017 -7.668 -2.722 883 HD11 LEU 40 1HD1 LEU 40 10.235 -5.222 -2.617 884 HD12 LEU 40 2HD1 LEU 40 10.561 -5.202 -4.352 885 HD13 LEU 40 3HD1 LEU 40 11.677 -6.008 -3.250 886 HD21 LEU 40 1HD2 LEU 40 8.198 -6.166 -4.583 887 HD22 LEU 40 2HD2 LEU 40 8.053 -6.251 -2.829 888 HD23 LEU 40 3HD2 LEU 40 7.831 -7.702 -3.804 889 H ASN 41 H ASN 41 11.722 -8.662 -7.544 890 HA ASN 41 HA ASN 41 12.579 -11.277 -7.165 891 HB2 ASN 41 1HB ASN 41 12.836 -9.390 -9.498 892 HB3 ASN 41 2HB ASN 41 13.431 -11.042 -9.582 893 HD21 ASN 41 1HD2 ASN 41 11.963 -11.425 -11.267 894 HD22 ASN 41 2HD2 ASN 41 10.287 -11.712 -10.947 895 H GLU 42 H GLU 42 14.427 -8.332 -7.680 896 HA GLU 42 HA GLU 42 16.985 -9.600 -7.721 897 HB2 GLU 42 1HB GLU 42 16.180 -6.718 -7.315 898 HB3 GLU 42 2HB GLU 42 17.831 -7.270 -7.555 899 HG2 GLU 42 1HG GLU 42 15.569 -7.548 -9.518 900 HG3 GLU 42 2HG GLU 42 16.884 -6.378 -9.603 901 H LEU 43 H LEU 43 15.058 -7.884 -5.324 902 HA LEU 43 HA LEU 43 17.029 -8.000 -3.262 903 HB2 LEU 43 1HB LEU 43 14.125 -7.299 -3.371 904 HB3 LEU 43 2HB LEU 43 14.908 -7.514 -1.821 905 HG LEU 43 HG LEU 43 16.536 -5.738 -2.465 906 HD11 LEU 43 1HD1 LEU 43 14.661 -5.326 -4.777 907 HD12 LEU 43 2HD1 LEU 43 16.341 -5.860 -4.874 908 HD13 LEU 43 3HD1 LEU 43 15.963 -4.237 -4.296 909 HD21 LEU 43 1HD2 LEU 43 14.610 -5.277 -1.049 910 HD22 LEU 43 2HD2 LEU 43 13.642 -4.934 -2.484 911 HD23 LEU 43 3HD2 LEU 43 15.012 -3.898 -2.072 912 H ASN 44 H ASN 44 15.157 -10.312 -4.651 913 HA ASN 44 HA ASN 44 14.750 -12.490 -4.232 914 HB2 ASN 44 1HB ASN 44 17.145 -12.282 -3.289 915 HB3 ASN 44 2HB ASN 44 16.373 -12.315 -1.710 916 HD21 ASN 44 1HD2 ASN 44 15.441 -14.212 -0.980 917 HD22 ASN 44 2HD2 ASN 44 15.711 -15.734 -1.751 918 H ILE 45 H ILE 45 13.124 -10.342 -3.157 919 HA ILE 45 HA ILE 45 11.911 -11.569 -0.803 920 HB ILE 45 HB ILE 45 11.101 -9.070 -2.287 921 HG12 ILE 45 1HG1 ILE 45 12.615 -9.373 0.311 922 HG13 ILE 45 2HG1 ILE 45 13.328 -8.900 -1.227 923 HG21 ILE 45 1HG2 ILE 45 10.208 -10.158 0.383 924 HG22 ILE 45 2HG2 ILE 45 9.240 -10.085 -1.089 925 HG23 ILE 45 3HG2 ILE 45 9.743 -8.594 -0.291 926 HD11 ILE 45 1HD1 ILE 45 11.239 -7.362 0.297 927 HD12 ILE 45 2HD1 ILE 45 11.955 -6.888 -1.244 928 HD13 ILE 45 3HD1 ILE 45 12.957 -6.978 0.203 929 H MET 46 H MET 46 11.333 -13.478 -1.909 930 HA MET 46 HA MET 46 9.487 -13.270 -4.135 931 HB2 MET 46 1HB MET 46 10.573 -15.723 -2.753 932 HB3 MET 46 2HB MET 46 9.707 -15.691 -4.283 933 HG2 MET 46 1HG MET 46 12.240 -14.146 -3.961 934 HG3 MET 46 2HG MET 46 12.293 -15.879 -4.245 935 HE1 MET 46 1HE MET 46 11.323 -12.407 -5.530 936 HE2 MET 46 2HE MET 46 9.762 -13.110 -5.964 937 HE3 MET 46 3HE MET 46 10.904 -12.654 -7.224 938 H ASP 47 H ASP 47 9.220 -13.017 -0.940 939 HA ASP 47 HA ASP 47 7.082 -14.613 -0.121 940 HB2 ASP 47 1HB ASP 47 7.727 -11.767 0.641 941 HB3 ASP 47 2HB ASP 47 6.643 -12.821 1.532 942 HA PRO 48 HA PRO 48 4.491 -13.101 -3.432 943 HB2 PRO 48 1HB PRO 48 2.339 -14.545 -1.995 944 HB3 PRO 48 2HB PRO 48 2.863 -14.676 -3.672 945 HG2 PRO 48 1HG PRO 48 3.481 -16.565 -1.908 946 HG3 PRO 48 2HG PRO 48 4.628 -16.069 -3.162 947 HD2 PRO 48 1HD PRO 48 4.592 -15.394 -0.257 948 HD3 PRO 48 2HD PRO 48 5.970 -15.730 -1.322 949 H GLN 49 H GLN 49 2.769 -13.202 -0.298 950 HA GLN 49 HA GLN 49 1.118 -10.988 -1.030 951 HB2 GLN 49 1HB GLN 49 1.487 -12.573 1.491 952 HB3 GLN 49 2HB GLN 49 0.499 -11.121 1.474 953 HG2 GLN 49 1HG GLN 49 -1.015 -12.051 -0.078 954 HG3 GLN 49 2HG GLN 49 0.063 -13.394 -0.436 955 HE21 GLN 49 1HE2 GLN 49 -2.243 -12.080 1.800 956 HE22 GLN 49 2HE2 GLN 49 -2.451 -13.520 2.734 957 H HIS 50 H HIS 50 4.066 -11.416 0.780 958 HA HIS 50 HA HIS 50 4.172 -8.838 1.945 959 HB2 HIS 50 1HB HIS 50 6.400 -10.697 1.138 960 HB3 HIS 50 2HB HIS 50 6.627 -9.251 2.103 961 HD1 HIS 50 HD1 HIS 50 7.596 -11.573 3.551 962 HD2 HIS 50 HD2 HIS 50 3.535 -10.679 3.494 963 HE1 HIS 50 HE1 HIS 50 6.625 -12.706 5.569 964 HE2 HIS 50 HE2 HIS 50 4.193 -12.053 5.584 965 H ARG 51 H ARG 51 5.378 -10.172 -1.084 966 HA ARG 51 HA ARG 51 6.497 -7.940 -2.271 967 HB2 ARG 51 1HB ARG 51 4.866 -10.203 -3.406 968 HB3 ARG 51 2HB ARG 51 5.564 -8.960 -4.430 969 HG2 ARG 51 1HG ARG 51 7.735 -9.650 -3.995 970 HG3 ARG 51 2HG ARG 51 7.261 -10.535 -2.543 971 HD2 ARG 51 1HD ARG 51 7.799 -11.900 -4.636 972 HD3 ARG 51 2HD ARG 51 6.315 -12.280 -3.768 973 HE ARG 51 HE ARG 51 5.960 -10.392 -5.913 974 HH11 ARG 51 1HH1 ARG 51 6.120 -13.788 -5.087 975 HH12 ARG 51 2HH1 ARG 51 5.110 -14.291 -6.402 976 HH21 ARG 51 1HH2 ARG 51 4.620 -11.041 -7.653 977 HH22 ARG 51 2HH2 ARG 51 4.256 -12.730 -7.863 978 H ALA 52 H ALA 52 3.163 -9.070 -2.481 979 HA ALA 52 HA ALA 52 2.064 -7.066 -3.997 980 HB1 ALA 52 1HB ALA 52 -0.072 -7.744 -3.013 981 HB2 ALA 52 2HB ALA 52 0.793 -8.619 -1.753 982 HB3 ALA 52 3HB ALA 52 0.926 -9.135 -3.433 983 H LYS 53 H LYS 53 2.474 -7.173 -0.474 984 HA LYS 53 HA LYS 53 1.247 -4.684 0.042 985 HB2 LYS 53 1HB LYS 53 3.410 -6.035 1.661 986 HB3 LYS 53 2HB LYS 53 2.310 -4.784 2.223 987 HG2 LYS 53 1HG LYS 53 0.449 -6.440 1.572 988 HG3 LYS 53 2HG LYS 53 1.736 -7.646 1.585 989 HD2 LYS 53 1HD LYS 53 0.870 -7.783 3.732 990 HD3 LYS 53 2HD LYS 53 2.255 -6.714 3.942 991 HE2 LYS 53 1HE LYS 53 0.808 -4.773 3.876 992 HE3 LYS 53 2HE LYS 53 -0.588 -5.805 3.553 993 HZ1 LYS 53 1HZ LYS 53 -0.574 -5.244 5.855 994 HZ2 LYS 53 2HZ LYS 53 1.038 -5.716 6.035 995 HZ3 LYS 53 3HZ LYS 53 -0.157 -6.877 5.732 996 H LEU 54 H LEU 54 4.675 -5.565 -0.267 997 HA LEU 54 HA LEU 54 5.803 -3.062 0.074 998 HB2 LEU 54 1HB LEU 54 6.685 -5.345 -1.680 999 HB3 LEU 54 2HB LEU 54 7.680 -3.950 -1.322 1000 HG LEU 54 HG LEU 54 6.606 -5.805 0.798 1001 HD11 LEU 54 1HD1 LEU 54 8.869 -6.748 0.866 1002 HD12 LEU 54 2HD1 LEU 54 9.295 -5.798 -0.558 1003 HD13 LEU 54 3HD1 LEU 54 8.063 -7.057 -0.673 1004 HD21 LEU 54 1HD2 LEU 54 8.740 -3.681 0.819 1005 HD22 LEU 54 2HD2 LEU 54 8.376 -4.771 2.156 1006 HD23 LEU 54 3HD2 LEU 54 7.169 -3.604 1.615 1007 H LEU 55 H LEU 55 4.643 -4.575 -2.921 1008 HA LEU 55 HA LEU 55 5.429 -2.488 -4.641 1009 HB2 LEU 55 1HB LEU 55 3.389 -4.670 -4.870 1010 HB3 LEU 55 2HB LEU 55 3.525 -3.444 -6.112 1011 HG LEU 55 HG LEU 55 5.141 -4.604 -7.091 1012 HD11 LEU 55 1HD1 LEU 55 7.298 -4.988 -5.987 1013 HD12 LEU 55 2HD1 LEU 55 6.588 -4.463 -4.459 1014 HD13 LEU 55 3HD1 LEU 55 6.721 -3.332 -5.807 1015 HD21 LEU 55 1HD2 LEU 55 4.916 -6.478 -4.743 1016 HD22 LEU 55 2HD2 LEU 55 5.794 -6.823 -6.234 1017 HD23 LEU 55 3HD2 LEU 55 4.045 -6.586 -6.275 1018 H THR 56 H THR 56 2.360 -3.145 -3.018 1019 HA THR 56 HA THR 56 0.904 -1.022 -4.138 1020 HB THR 56 HB THR 56 0.562 -2.269 -1.413 1021 HG1 THR 56 HG1 THR 56 0.401 -3.915 -2.835 1022 HG21 THR 56 1HG2 THR 56 -0.712 -0.188 -1.732 1023 HG22 THR 56 2HG2 THR 56 -1.768 -1.599 -1.638 1024 HG23 THR 56 3HG2 THR 56 -1.416 -0.863 -3.201 1025 H ALA 57 H ALA 57 2.868 -1.256 -1.218 1026 HA ALA 57 HA ALA 57 2.406 1.301 -0.216 1027 HB1 ALA 57 1HB ALA 57 4.782 -0.523 -0.007 1028 HB2 ALA 57 2HB ALA 57 3.489 -0.279 1.168 1029 HB3 ALA 57 3HB ALA 57 4.655 1.006 0.859 1030 H ALA 58 H ALA 58 4.864 0.108 -2.470 1031 HA ALA 58 HA ALA 58 6.143 2.567 -2.921 1032 HB1 ALA 58 1HB ALA 58 5.872 0.232 -4.805 1033 HB2 ALA 58 2HB ALA 58 7.091 0.397 -3.541 1034 HB3 ALA 58 3HB ALA 58 7.075 1.521 -4.901 1035 H GLU 59 H GLU 59 3.384 1.032 -4.498 1036 HA GLU 59 HA GLU 59 3.007 2.805 -6.621 1037 HB2 GLU 59 1HB GLU 59 0.932 1.312 -5.003 1038 HB3 GLU 59 2HB GLU 59 0.634 2.071 -6.556 1039 HG2 GLU 59 1HG GLU 59 2.590 -0.160 -6.094 1040 HG3 GLU 59 2HG GLU 59 0.941 -0.375 -6.667 1041 H LEU 60 H LEU 60 1.560 2.824 -3.373 1042 HA LEU 60 HA LEU 60 0.192 5.269 -3.799 1043 HB2 LEU 60 1HB LEU 60 0.604 3.433 -1.534 1044 HB3 LEU 60 2HB LEU 60 0.257 5.098 -1.113 1045 HG LEU 60 HG LEU 60 -1.820 5.011 -2.395 1046 HD11 LEU 60 1HD1 LEU 60 -1.209 3.450 -4.122 1047 HD12 LEU 60 2HD1 LEU 60 -2.634 2.860 -3.265 1048 HD13 LEU 60 3HD1 LEU 60 -1.053 2.152 -2.936 1049 HD21 LEU 60 1HD2 LEU 60 -1.384 2.872 -0.343 1050 HD22 LEU 60 2HD2 LEU 60 -2.977 3.276 -0.984 1051 HD23 LEU 60 3HD2 LEU 60 -2.041 4.492 -0.113 1052 H LEU 61 H LEU 61 3.321 4.508 -2.269 1053 HA LEU 61 HA LEU 61 3.768 7.093 -1.229 1054 HB2 LEU 61 1HB LEU 61 5.731 5.013 -2.167 1055 HB3 LEU 61 2HB LEU 61 6.193 6.487 -1.343 1056 HG LEU 61 HG LEU 61 4.570 4.216 -0.208 1057 HD11 LEU 61 1HD1 LEU 61 7.155 5.296 0.829 1058 HD12 LEU 61 2HD1 LEU 61 7.136 4.155 -0.510 1059 HD13 LEU 61 3HD1 LEU 61 6.441 3.695 1.043 1060 HD21 LEU 61 1HD2 LEU 61 5.329 6.859 1.039 1061 HD22 LEU 61 2HD2 LEU 61 4.610 5.494 1.893 1062 HD23 LEU 61 3HD2 LEU 61 3.697 6.325 0.633 1063 H LEU 62 H LEU 62 3.951 5.856 -4.436 1064 HA LEU 62 HA LEU 62 5.706 7.831 -5.484 1065 HB2 LEU 62 1HB LEU 62 5.266 5.589 -6.487 1066 HB3 LEU 62 2HB LEU 62 3.671 6.156 -6.942 1067 HG LEU 62 HG LEU 62 4.680 7.852 -8.402 1068 HD11 LEU 62 1HD1 LEU 62 7.106 7.726 -8.877 1069 HD12 LEU 62 2HD1 LEU 62 7.283 6.613 -7.519 1070 HD13 LEU 62 3HD1 LEU 62 6.744 8.269 -7.239 1071 HD21 LEU 62 1HD2 LEU 62 5.532 6.325 -10.101 1072 HD22 LEU 62 2HD2 LEU 62 4.116 5.648 -9.295 1073 HD23 LEU 62 3HD2 LEU 62 5.728 5.067 -8.882 1074 H ASP 63 H ASP 63 2.289 7.659 -4.886 1075 HA ASP 63 HA ASP 63 1.926 10.230 -6.271 1076 HB2 ASP 63 1HB ASP 63 0.018 7.994 -5.670 1077 HB3 ASP 63 2HB ASP 63 -0.564 9.611 -6.046 1078 H TYR 64 H TYR 64 1.416 8.553 -3.251 1079 HA TYR 64 HA TYR 64 0.144 10.907 -2.064 1080 HB2 TYR 64 1HB TYR 64 0.370 8.044 -1.135 1081 HB3 TYR 64 2HB TYR 64 -0.354 9.326 -0.176 1082 HD1 TYR 64 HD1 TYR 64 -2.488 10.297 -0.816 1083 HD2 TYR 64 HD2 TYR 64 -0.785 7.093 -3.018 1084 HE1 TYR 64 HE1 TYR 64 -4.660 9.892 -1.878 1085 HE2 TYR 64 HE2 TYR 64 -2.949 6.670 -4.091 1086 HH TYR 64 HH TYR 64 -5.404 7.100 -3.503 1087 H ASP 65 H ASP 65 2.842 11.247 -2.525 1088 HA ASP 65 HA ASP 65 4.336 10.504 -0.168 1089 HB2 ASP 65 1HB ASP 65 6.192 11.705 -1.222 1090 HB3 ASP 65 2HB ASP 65 5.437 10.589 -2.356 1091 H THR 66 H THR 66 2.121 11.929 0.534 1092 HA THR 66 HA THR 66 1.293 13.727 1.621 1093 HB THR 66 HB THR 66 2.874 14.800 3.276 1094 HG1 THR 66 HG1 THR 66 4.716 13.743 1.720 1095 HG21 THR 66 1HG2 THR 66 1.451 12.864 3.793 1096 HG22 THR 66 2HG2 THR 66 2.972 12.834 4.682 1097 HG23 THR 66 3HG2 THR 66 2.750 11.793 3.279 1098 H GLY 67 H GLY 67 2.019 14.349 -1.032 1099 HA2 GLY 67 1HA GLY 67 3.296 16.959 -0.949 1100 HA3 GLY 67 2HA GLY 67 2.722 16.122 -2.385 1101 H CYS 68 H CYS 68 0.835 16.663 0.497 1102 HA CYS 68 HA CYS 68 -1.092 17.751 0.925 1103 HB2 CYS 68 1HB CYS 68 -0.076 19.636 -1.198 1104 HB3 CYS 68 2HB CYS 68 -1.430 19.968 -0.124 1105 H GLU 69 H GLU 69 -3.197 18.574 -0.118 1106 HA GLU 69 HA GLU 69 -4.209 16.379 -1.592 1107 HB2 GLU 69 1HB GLU 69 -5.500 19.038 -0.966 1108 HB3 GLU 69 2HB GLU 69 -6.341 17.619 -1.575 1109 HG2 GLU 69 1HG GLU 69 -5.735 16.394 0.454 1110 HG3 GLU 69 2HG GLU 69 -4.912 17.827 1.065 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 -2.463 9.698 -9.348 2 H2 GLY 1 2H GLY 1 -1.305 10.926 -9.296 3 H3 GLY 1 3H GLY 1 -2.821 11.222 -9.989 4 HA2 GLY 1 2HA GLY 1 -2.277 10.656 -7.130 5 HA3 GLY 1 1HA GLY 1 -2.705 12.220 -7.808 6 HA PRO 2 HA PRO 2 -6.568 9.262 -7.965 7 HB2 PRO 2 1HB PRO 2 -6.148 7.624 -5.581 8 HB3 PRO 2 2HB PRO 2 -6.563 7.123 -7.220 9 HG2 PRO 2 1HG PRO 2 -4.145 6.628 -6.129 10 HG3 PRO 2 2HG PRO 2 -4.365 6.932 -7.864 11 HD2 PRO 2 1HD PRO 2 -3.401 8.789 -5.721 12 HD3 PRO 2 2HD PRO 2 -2.808 8.579 -7.383 13 H LYS 3 H LYS 3 -7.925 10.792 -7.325 14 HA LYS 3 HA LYS 3 -7.947 11.692 -4.556 15 HB2 LYS 3 1HB LYS 3 -9.654 12.574 -6.887 16 HB3 LYS 3 2HB LYS 3 -9.560 13.356 -5.319 17 HG2 LYS 3 1HG LYS 3 -7.241 13.082 -7.213 18 HG3 LYS 3 2HG LYS 3 -8.289 14.497 -7.123 19 HD2 LYS 3 1HD LYS 3 -6.651 13.410 -4.832 20 HD3 LYS 3 2HD LYS 3 -6.172 14.760 -5.859 21 HE2 LYS 3 1HE LYS 3 -8.265 15.933 -5.159 22 HE3 LYS 3 2HE LYS 3 -8.553 14.624 -4.015 23 HZ1 LYS 3 1HZ LYS 3 -6.226 16.467 -4.030 24 HZ2 LYS 3 2HZ LYS 3 -6.408 15.155 -2.978 25 HZ3 LYS 3 3HZ LYS 3 -7.491 16.450 -2.908 26 H THR 4 H THR 4 -9.478 9.446 -6.589 27 HA THR 4 HA THR 4 -11.674 9.174 -4.668 28 HB THR 4 HB THR 4 -13.028 8.230 -6.554 29 HG1 THR 4 HG1 THR 4 -11.448 9.566 -8.407 30 HG21 THR 4 1HG2 THR 4 -13.571 10.429 -7.524 31 HG22 THR 4 2HG2 THR 4 -12.107 11.091 -6.795 32 HG23 THR 4 3HG2 THR 4 -13.411 10.489 -5.771 33 H LEU 5 H LEU 5 -12.699 6.983 -4.765 34 HA LEU 5 HA LEU 5 -10.824 5.111 -3.896 35 HB2 LEU 5 1HB LEU 5 -13.287 5.349 -3.319 36 HB3 LEU 5 2HB LEU 5 -13.630 4.518 -4.819 37 HG LEU 5 HG LEU 5 -13.593 3.215 -2.567 38 HD11 LEU 5 1HD1 LEU 5 -13.973 2.133 -4.670 39 HD12 LEU 5 2HD1 LEU 5 -12.803 1.190 -3.743 40 HD13 LEU 5 3HD1 LEU 5 -12.257 2.218 -5.070 41 HD21 LEU 5 1HD2 LEU 5 -10.668 3.215 -3.277 42 HD22 LEU 5 2HD2 LEU 5 -11.439 2.249 -2.019 43 HD23 LEU 5 3HD2 LEU 5 -11.387 4.006 -1.874 44 H HIS 6 H HIS 6 -12.750 5.177 -6.879 45 HA HIS 6 HA HIS 6 -11.870 2.846 -8.064 46 HB2 HIS 6 1HB HIS 6 -13.701 4.154 -8.972 47 HB3 HIS 6 2HB HIS 6 -12.608 5.475 -9.357 48 HD1 HIS 6 HD1 HIS 6 -11.493 5.431 -11.612 49 HD2 HIS 6 HD2 HIS 6 -13.300 1.806 -10.643 50 HE1 HIS 6 HE1 HIS 6 -11.402 4.035 -13.700 51 HE2 HIS 6 HE2 HIS 6 -12.411 1.818 -13.067 52 H GLU 7 H GLU 7 -10.397 6.054 -8.220 53 HA GLU 7 HA GLU 7 -8.464 5.347 -10.163 54 HB2 GLU 7 1HB GLU 7 -8.397 7.603 -8.160 55 HB3 GLU 7 2HB GLU 7 -7.419 7.485 -9.617 56 HG2 GLU 7 1HG GLU 7 -10.406 7.788 -9.465 57 HG3 GLU 7 2HG GLU 7 -9.242 9.005 -9.977 58 H LEU 8 H LEU 8 -8.569 5.231 -6.677 59 HA LEU 8 HA LEU 8 -5.796 4.758 -6.273 60 HB2 LEU 8 1HB LEU 8 -7.426 5.584 -4.565 61 HB3 LEU 8 2HB LEU 8 -8.112 3.976 -4.508 62 HG LEU 8 HG LEU 8 -6.437 4.697 -2.685 63 HD11 LEU 8 1HD1 LEU 8 -6.114 2.094 -4.154 64 HD12 LEU 8 2HD1 LEU 8 -7.265 2.441 -2.862 65 HD13 LEU 8 3HD1 LEU 8 -5.534 2.421 -2.523 66 HD21 LEU 8 1HD2 LEU 8 -4.486 3.906 -4.832 67 HD22 LEU 8 2HD2 LEU 8 -4.114 4.354 -3.165 68 HD23 LEU 8 3HD2 LEU 8 -4.761 5.557 -4.280 69 H LEU 9 H LEU 9 -8.623 2.664 -6.609 70 HA LEU 9 HA LEU 9 -7.302 0.229 -6.163 71 HB2 LEU 9 1HB LEU 9 -9.828 1.017 -7.534 72 HB3 LEU 9 2HB LEU 9 -9.231 -0.615 -7.741 73 HG LEU 9 HG LEU 9 -10.936 -0.374 -5.942 74 HD11 LEU 9 1HD1 LEU 9 -9.729 -1.701 -4.284 75 HD12 LEU 9 2HD1 LEU 9 -8.202 -1.264 -5.052 76 HD13 LEU 9 3HD1 LEU 9 -9.383 -2.238 -5.927 77 HD21 LEU 9 1HD2 LEU 9 -10.245 1.832 -5.131 78 HD22 LEU 9 2HD2 LEU 9 -8.760 1.121 -4.497 79 HD23 LEU 9 3HD2 LEU 9 -10.322 0.637 -3.837 80 H GLU 10 H GLU 10 -7.737 2.131 -9.111 81 HA GLU 10 HA GLU 10 -6.525 0.219 -10.827 82 HB2 GLU 10 1HB GLU 10 -6.796 3.209 -11.123 83 HB3 GLU 10 2HB GLU 10 -6.224 2.134 -12.391 84 HG2 GLU 10 1HG GLU 10 -8.429 0.919 -12.160 85 HG3 GLU 10 2HG GLU 10 -8.960 2.285 -11.176 86 H ARG 11 H ARG 11 -5.288 2.713 -8.741 87 HA ARG 11 HA ARG 11 -2.670 2.878 -9.765 88 HB2 ARG 11 1HB ARG 11 -3.350 4.630 -8.356 89 HB3 ARG 11 2HB ARG 11 -3.952 3.531 -7.129 90 HG2 ARG 11 1HG ARG 11 -1.932 4.706 -6.425 91 HG3 ARG 11 2HG ARG 11 -1.709 2.960 -6.477 92 HD2 ARG 11 1HD ARG 11 0.235 4.057 -7.384 93 HD3 ARG 11 2HD ARG 11 -0.609 3.186 -8.659 94 HE ARG 11 HE ARG 11 -1.334 5.967 -8.473 95 HH11 ARG 11 1HH1 ARG 11 0.955 3.662 -9.801 96 HH12 ARG 11 2HH1 ARG 11 1.423 4.707 -11.111 97 HH21 ARG 11 1HH2 ARG 11 -0.719 7.333 -10.178 98 HH22 ARG 11 2HH2 ARG 11 0.465 6.796 -11.332 99 H ILE 12 H ILE 12 -4.164 0.782 -7.347 100 HA ILE 12 HA ILE 12 -1.583 -0.475 -6.836 101 HB ILE 12 HB ILE 12 -2.664 -1.614 -4.990 102 HG12 ILE 12 1HG1 ILE 12 -5.183 -0.152 -5.818 103 HG13 ILE 12 2HG1 ILE 12 -4.908 -1.876 -6.046 104 HG21 ILE 12 1HG2 ILE 12 -3.159 0.373 -3.654 105 HG22 ILE 12 2HG2 ILE 12 -3.315 1.324 -5.129 106 HG23 ILE 12 3HG2 ILE 12 -1.753 0.629 -4.691 107 HD11 ILE 12 1HD1 ILE 12 -5.010 -0.442 -3.406 108 HD12 ILE 12 2HD1 ILE 12 -4.739 -2.171 -3.634 109 HD13 ILE 12 3HD1 ILE 12 -6.284 -1.448 -4.096 110 H GLY 13 H GLY 13 -4.329 -0.993 -8.755 111 HA2 GLY 13 1HA GLY 13 -4.344 -2.573 -10.490 112 HA3 GLY 13 2HA GLY 13 -3.155 -3.517 -9.613 113 H LEU 14 H LEU 14 -6.051 -2.335 -8.089 114 HA LEU 14 HA LEU 14 -7.149 -5.059 -8.173 115 HB2 LEU 14 1HB LEU 14 -6.932 -3.189 -5.842 116 HB3 LEU 14 2HB LEU 14 -8.182 -4.413 -5.896 117 HG LEU 14 HG LEU 14 -6.474 -5.364 -4.619 118 HD11 LEU 14 1HD1 LEU 14 -5.687 -7.237 -5.902 119 HD12 LEU 14 2HD1 LEU 14 -6.008 -6.380 -7.407 120 HD13 LEU 14 3HD1 LEU 14 -7.346 -6.852 -6.359 121 HD21 LEU 14 1HD2 LEU 14 -4.698 -3.811 -5.056 122 HD22 LEU 14 2HD2 LEU 14 -4.519 -4.427 -6.698 123 HD23 LEU 14 3HD2 LEU 14 -4.131 -5.458 -5.321 124 H GLU 15 H GLU 15 -7.697 -2.834 -9.908 125 HA GLU 15 HA GLU 15 -10.102 -1.549 -9.321 126 HB2 GLU 15 1HB GLU 15 -10.366 -1.299 -11.753 127 HB3 GLU 15 2HB GLU 15 -8.733 -0.916 -11.226 128 HG2 GLU 15 1HG GLU 15 -7.950 -3.071 -11.987 129 HG3 GLU 15 2HG GLU 15 -9.589 -3.529 -12.443 130 H GLU 16 H GLU 16 -9.442 -4.823 -10.038 131 HA GLU 16 HA GLU 16 -11.917 -5.754 -10.928 132 HB2 GLU 16 1HB GLU 16 -11.193 -7.928 -9.976 133 HB3 GLU 16 2HB GLU 16 -9.955 -7.163 -10.961 134 HG2 GLU 16 1HG GLU 16 -8.815 -6.382 -8.968 135 HG3 GLU 16 2HG GLU 16 -10.077 -7.080 -7.958 136 H HIS 17 H HIS 17 -10.999 -4.497 -7.871 137 HA HIS 17 HA HIS 17 -13.408 -5.674 -6.656 138 HB2 HIS 17 1HB HIS 17 -10.793 -4.914 -5.367 139 HB3 HIS 17 2HB HIS 17 -12.245 -5.300 -4.455 140 HD1 HIS 17 HD1 HIS 17 -13.292 -7.808 -5.423 141 HD2 HIS 17 HD2 HIS 17 -9.204 -7.055 -5.533 142 HE1 HIS 17 HE1 HIS 17 -12.192 -10.056 -5.603 143 HE2 HIS 17 HE2 HIS 17 -9.772 -9.533 -6.017 144 H THR 18 H THR 18 -12.469 -2.907 -8.015 145 HA THR 18 HA THR 18 -12.949 -0.897 -6.155 146 HB THR 18 HB THR 18 -13.938 -0.765 -8.992 147 HG1 THR 18 HG1 THR 18 -11.941 -0.883 -9.629 148 HG21 THR 18 1HG2 THR 18 -13.367 1.615 -8.737 149 HG22 THR 18 2HG2 THR 18 -12.880 1.302 -7.072 150 HG23 THR 18 3HG2 THR 18 -14.563 1.088 -7.555 151 H SER 19 H SER 19 -15.223 -2.667 -8.201 152 HA SER 19 HA SER 19 -17.563 -1.398 -7.303 153 HB2 SER 19 1HB SER 19 -17.404 -2.788 -9.356 154 HB3 SER 19 2HB SER 19 -17.248 -4.220 -8.344 155 HG SER 19 HG SER 19 -19.355 -4.211 -8.603 156 H THR 20 H THR 20 -15.794 -4.235 -6.156 157 HA THR 20 HA THR 20 -17.583 -5.182 -4.251 158 HB THR 20 HB THR 20 -14.582 -5.101 -3.925 159 HG1 THR 20 HG1 THR 20 -16.236 -6.820 -5.485 160 HG21 THR 20 1HG2 THR 20 -14.952 -7.229 -2.729 161 HG22 THR 20 2HG2 THR 20 -16.690 -7.022 -2.937 162 HG23 THR 20 3HG2 THR 20 -15.778 -5.873 -1.958 163 H LEU 21 H LEU 21 -14.907 -2.871 -3.824 164 HA LEU 21 HA LEU 21 -15.510 -2.207 -1.159 165 HB2 LEU 21 1HB LEU 21 -13.979 -0.846 -3.347 166 HB3 LEU 21 2HB LEU 21 -14.271 -0.009 -1.844 167 HG LEU 21 HG LEU 21 -12.181 -0.879 -1.473 168 HD11 LEU 21 1HD1 LEU 21 -12.338 -2.701 0.081 169 HD12 LEU 21 2HD1 LEU 21 -13.914 -3.158 -0.562 170 HD13 LEU 21 3HD1 LEU 21 -13.722 -1.626 0.291 171 HD21 LEU 21 1HD2 LEU 21 -12.995 -3.393 -2.911 172 HD22 LEU 21 2HD2 LEU 21 -11.414 -3.082 -2.194 173 HD23 LEU 21 3HD2 LEU 21 -11.975 -2.103 -3.550 174 H LEU 22 H LEU 22 -16.345 -0.641 -4.211 175 HA LEU 22 HA LEU 22 -17.671 1.596 -3.279 176 HB2 LEU 22 1HB LEU 22 -17.007 0.843 -5.665 177 HB3 LEU 22 2HB LEU 22 -18.576 0.065 -5.693 178 HG LEU 22 HG LEU 22 -19.617 2.296 -5.247 179 HD11 LEU 22 1HD1 LEU 22 -16.804 3.255 -5.750 180 HD12 LEU 22 2HD1 LEU 22 -17.718 3.414 -4.252 181 HD13 LEU 22 3HD1 LEU 22 -18.238 4.282 -5.695 182 HD21 LEU 22 1HD2 LEU 22 -17.919 2.037 -7.725 183 HD22 LEU 22 2HD2 LEU 22 -19.314 3.098 -7.541 184 HD23 LEU 22 3HD2 LEU 22 -19.525 1.347 -7.487 185 H LEU 23 H LEU 23 -18.968 -1.632 -3.937 186 HA LEU 23 HA LEU 23 -21.674 -0.921 -3.371 187 HB2 LEU 23 1HB LEU 23 -20.357 -3.622 -3.565 188 HB3 LEU 23 2HB LEU 23 -22.084 -3.346 -3.501 189 HG LEU 23 HG LEU 23 -20.227 -2.471 -5.711 190 HD11 LEU 23 1HD1 LEU 23 -22.372 -4.588 -5.643 191 HD12 LEU 23 2HD1 LEU 23 -20.631 -4.870 -5.684 192 HD13 LEU 23 3HD1 LEU 23 -21.433 -4.108 -7.057 193 HD21 LEU 23 1HD2 LEU 23 -22.286 -1.813 -6.882 194 HD22 LEU 23 2HD2 LEU 23 -22.016 -0.864 -5.421 195 HD23 LEU 23 3HD2 LEU 23 -23.213 -2.159 -5.423 196 H ASN 24 H ASN 24 -18.993 -1.900 -1.456 197 HA ASN 24 HA ASN 24 -20.753 -2.708 0.730 198 HB2 ASN 24 1HB ASN 24 -17.861 -3.163 0.143 199 HB3 ASN 24 2HB ASN 24 -18.440 -3.285 1.802 200 HD21 ASN 24 1HD2 ASN 24 -18.428 -4.700 -1.337 201 HD22 ASN 24 2HD2 ASN 24 -19.230 -6.174 -0.902 202 H GLY 25 H GLY 25 -19.758 0.098 -0.334 203 HA2 GLY 25 1HA GLY 25 -20.409 2.004 0.968 204 HA3 GLY 25 2HA GLY 25 -19.837 1.173 2.404 205 H TYR 26 H TYR 26 -17.509 0.476 0.350 206 HA TYR 26 HA TYR 26 -15.827 2.640 1.300 207 HB2 TYR 26 1HB TYR 26 -15.194 0.132 -0.248 208 HB3 TYR 26 2HB TYR 26 -13.990 1.280 0.328 209 HD1 TYR 26 HD1 TYR 26 -15.975 -1.586 1.123 210 HD2 TYR 26 HD2 TYR 26 -13.826 1.660 2.830 211 HE1 TYR 26 HE1 TYR 26 -15.892 -2.779 3.270 212 HE2 TYR 26 HE2 TYR 26 -13.732 0.479 4.980 213 HH TYR 26 HH TYR 26 -15.148 -1.313 6.140 214 H GLN 27 H GLN 27 -16.875 4.253 0.035 215 HA GLN 27 HA GLN 27 -16.524 4.001 -2.861 216 HB2 GLN 27 1HB GLN 27 -18.226 5.977 -1.353 217 HB3 GLN 27 2HB GLN 27 -18.258 5.648 -3.080 218 HG2 GLN 27 1HG GLN 27 -18.956 3.314 -2.531 219 HG3 GLN 27 2HG GLN 27 -19.109 3.823 -0.854 220 HE21 GLN 27 1HE2 GLN 27 -21.119 2.800 -2.677 221 HE22 GLN 27 2HE2 GLN 27 -22.346 4.015 -2.778 222 H THR 28 H THR 28 -15.236 5.499 -0.160 223 HA THR 28 HA THR 28 -13.837 7.421 -1.889 224 HB THR 28 HB THR 28 -13.745 9.030 -0.073 225 HG1 THR 28 HG1 THR 28 -15.430 7.242 1.396 226 HG21 THR 28 1HG2 THR 28 -16.133 9.633 0.080 227 HG22 THR 28 2HG2 THR 28 -16.559 8.045 -0.563 228 HG23 THR 28 3HG2 THR 28 -15.663 9.190 -1.561 229 H LEU 29 H LEU 29 -11.732 8.101 -0.942 230 HA LEU 29 HA LEU 29 -10.186 5.872 -0.111 231 HB2 LEU 29 1HB LEU 29 -9.508 8.812 0.006 232 HB3 LEU 29 2HB LEU 29 -8.363 7.484 0.081 233 HG LEU 29 HG LEU 29 -10.086 8.195 -2.292 234 HD11 LEU 29 1HD1 LEU 29 -8.296 9.794 -1.916 235 HD12 LEU 29 2HD1 LEU 29 -7.981 8.818 -3.351 236 HD13 LEU 29 3HD1 LEU 29 -7.122 8.479 -1.847 237 HD21 LEU 29 1HD2 LEU 29 -9.681 5.785 -2.080 238 HD22 LEU 29 2HD2 LEU 29 -7.946 6.097 -2.029 239 HD23 LEU 29 3HD2 LEU 29 -8.870 6.485 -3.479 240 H GLU 30 H GLU 30 -11.916 8.381 1.484 241 HA GLU 30 HA GLU 30 -10.784 8.156 4.065 242 HB2 GLU 30 1HB GLU 30 -13.576 9.013 3.288 243 HB3 GLU 30 2HB GLU 30 -12.775 9.347 4.818 244 HG2 GLU 30 1HG GLU 30 -11.101 10.684 3.649 245 HG3 GLU 30 2HG GLU 30 -11.907 10.352 2.121 246 H ASP 31 H ASP 31 -13.222 6.377 2.318 247 HA ASP 31 HA ASP 31 -14.009 4.818 4.616 248 HB2 ASP 31 1HB ASP 31 -14.535 4.397 1.666 249 HB3 ASP 31 2HB ASP 31 -15.218 3.418 2.955 250 H PHE 32 H PHE 32 -11.945 4.452 1.794 251 HA PHE 32 HA PHE 32 -11.439 1.706 2.108 252 HB2 PHE 32 1HB PHE 32 -11.078 3.060 0.026 253 HB3 PHE 32 2HB PHE 32 -9.622 3.708 0.771 254 HD1 PHE 32 HD1 PHE 32 -7.657 2.340 1.034 255 HD2 PHE 32 HD2 PHE 32 -11.197 0.742 -0.686 256 HE1 PHE 32 HE1 PHE 32 -6.382 0.412 0.220 257 HE2 PHE 32 HE2 PHE 32 -9.926 -1.196 -1.506 258 HZ PHE 32 HZ PHE 32 -7.512 -1.362 -1.052 259 H LYS 33 H LYS 33 -9.943 4.500 3.602 260 HA LYS 33 HA LYS 33 -7.639 3.113 4.528 261 HB2 LYS 33 1HB LYS 33 -7.365 5.009 6.076 262 HB3 LYS 33 2HB LYS 33 -7.647 5.530 4.422 263 HG2 LYS 33 1HG LYS 33 -9.956 6.024 4.936 264 HG3 LYS 33 2HG LYS 33 -9.738 5.423 6.580 265 HD2 LYS 33 1HD LYS 33 -9.654 7.850 6.535 266 HD3 LYS 33 2HD LYS 33 -8.090 7.181 7.000 267 HE2 LYS 33 1HE LYS 33 -7.260 7.519 4.734 268 HE3 LYS 33 2HE LYS 33 -8.829 8.145 4.239 269 HZ1 LYS 33 1HZ LYS 33 -6.997 9.365 6.231 270 HZ2 LYS 33 2HZ LYS 33 -8.543 9.939 5.868 271 HZ3 LYS 33 3HZ LYS 33 -7.338 9.956 4.679 272 H GLU 34 H GLU 34 -10.882 2.958 5.374 273 HA GLU 34 HA GLU 34 -10.382 1.926 8.065 274 HB2 GLU 34 1HB GLU 34 -12.957 2.410 6.558 275 HB3 GLU 34 2HB GLU 34 -12.848 1.864 8.224 276 HG2 GLU 34 1HG GLU 34 -11.683 4.458 7.269 277 HG3 GLU 34 2HG GLU 34 -13.330 4.304 7.876 278 H LEU 35 H LEU 35 -10.220 0.857 5.031 279 HA LEU 35 HA LEU 35 -11.700 -1.582 5.169 280 HB2 LEU 35 1HB LEU 35 -11.254 -0.376 3.070 281 HB3 LEU 35 2HB LEU 35 -9.539 -0.644 3.277 282 HG LEU 35 HG LEU 35 -10.793 -2.084 1.592 283 HD11 LEU 35 1HD1 LEU 35 -9.377 -3.976 2.005 284 HD12 LEU 35 2HD1 LEU 35 -9.183 -3.512 3.694 285 HD13 LEU 35 3HD1 LEU 35 -8.498 -2.503 2.418 286 HD21 LEU 35 1HD2 LEU 35 -11.895 -4.063 2.470 287 HD22 LEU 35 2HD2 LEU 35 -12.712 -2.597 3.015 288 HD23 LEU 35 3HD2 LEU 35 -11.654 -3.480 4.118 289 H ARG 36 H ARG 36 -11.100 -3.366 6.156 290 HA ARG 36 HA ARG 36 -8.248 -3.761 6.730 291 HB2 ARG 36 1HB ARG 36 -10.618 -4.511 8.443 292 HB3 ARG 36 2HB ARG 36 -8.959 -4.979 8.780 293 HG2 ARG 36 1HG ARG 36 -10.099 -2.196 8.757 294 HG3 ARG 36 2HG ARG 36 -9.486 -3.101 10.146 295 HD2 ARG 36 1HD ARG 36 -7.252 -3.137 9.053 296 HD3 ARG 36 2HD ARG 36 -7.901 -2.097 7.790 297 HE ARG 36 HE ARG 36 -8.302 -0.968 10.372 298 HH11 ARG 36 1HH1 ARG 36 -5.940 -1.458 7.855 299 HH12 ARG 36 2HH1 ARG 36 -4.922 -0.136 8.346 300 HH21 ARG 36 1HH2 ARG 36 -6.994 0.797 11.029 301 HH22 ARG 36 2HH2 ARG 36 -5.545 1.160 10.150 302 H GLU 37 H GLU 37 -7.701 -6.123 7.136 303 HA GLU 37 HA GLU 37 -8.394 -7.499 4.761 304 HB2 GLU 37 1HB GLU 37 -6.205 -7.663 6.011 305 HB3 GLU 37 2HB GLU 37 -7.037 -8.688 7.174 306 HG2 GLU 37 1HG GLU 37 -7.519 -10.310 5.464 307 HG3 GLU 37 2HG GLU 37 -6.815 -9.261 4.234 308 H THR 38 H THR 38 -9.358 -7.813 8.118 309 HA THR 38 HA THR 38 -10.905 -10.133 7.922 310 HB THR 38 HB THR 38 -11.474 -7.712 9.648 311 HG1 THR 38 HG1 THR 38 -10.195 -9.138 11.180 312 HG21 THR 38 1HG2 THR 38 -12.102 -10.635 10.071 313 HG22 THR 38 2HG2 THR 38 -13.266 -9.400 9.590 314 HG23 THR 38 3HG2 THR 38 -12.492 -9.315 11.173 315 H HIS 39 H HIS 39 -11.431 -6.905 6.811 316 HA HIS 39 HA HIS 39 -14.271 -7.169 6.457 317 HB2 HIS 39 1HB HIS 39 -12.338 -5.145 5.303 318 HB3 HIS 39 2HB HIS 39 -14.093 -5.043 5.205 319 HD1 HIS 39 HD1 HIS 39 -13.478 -2.660 6.425 320 HD2 HIS 39 HD2 HIS 39 -13.145 -6.123 8.698 321 HE1 HIS 39 HE1 HIS 39 -13.313 -1.890 8.810 322 HE2 HIS 39 HE2 HIS 39 -13.334 -4.009 10.177 323 H LEU 40 H LEU 40 -11.362 -7.542 4.534 324 HA LEU 40 HA LEU 40 -12.591 -8.024 2.042 325 HB2 LEU 40 1HB LEU 40 -9.934 -8.515 3.246 326 HB3 LEU 40 2HB LEU 40 -10.355 -9.506 1.862 327 HG LEU 40 HG LEU 40 -10.570 -7.600 0.453 328 HD11 LEU 40 1HD1 LEU 40 -11.678 -6.183 2.169 329 HD12 LEU 40 2HD1 LEU 40 -10.472 -5.354 1.186 330 HD13 LEU 40 3HD1 LEU 40 -10.080 -5.848 2.835 331 HD21 LEU 40 1HD2 LEU 40 -8.164 -7.403 2.241 332 HD22 LEU 40 2HD2 LEU 40 -8.341 -6.523 0.724 333 HD23 LEU 40 3HD2 LEU 40 -8.310 -8.284 0.720 334 H ASN 41 H ASN 41 -11.792 -10.105 4.754 335 HA ASN 41 HA ASN 41 -12.535 -12.574 3.729 336 HB2 ASN 41 1HB ASN 41 -12.883 -11.408 6.493 337 HB3 ASN 41 2HB ASN 41 -13.278 -13.079 6.114 338 HD21 ASN 41 1HD2 ASN 41 -11.746 -13.865 7.529 339 HD22 ASN 41 2HD2 ASN 41 -10.051 -13.785 7.199 340 H GLU 42 H GLU 42 -14.477 -9.921 4.895 341 HA GLU 42 HA GLU 42 -16.992 -11.272 4.682 342 HB2 GLU 42 1HB GLU 42 -16.331 -8.335 4.906 343 HB3 GLU 42 2HB GLU 42 -17.922 -9.043 5.132 344 HG2 GLU 42 1HG GLU 42 -15.526 -9.714 6.814 345 HG3 GLU 42 2HG GLU 42 -16.719 -8.489 7.231 346 H LEU 43 H LEU 43 -15.101 -9.059 2.728 347 HA LEU 43 HA LEU 43 -17.130 -8.606 0.760 348 HB2 LEU 43 1HB LEU 43 -14.170 -8.138 0.486 349 HB3 LEU 43 2HB LEU 43 -15.455 -7.363 -0.416 350 HG LEU 43 HG LEU 43 -14.855 -6.979 2.512 351 HD11 LEU 43 1HD1 LEU 43 -14.587 -5.092 0.186 352 HD12 LEU 43 2HD1 LEU 43 -13.257 -5.911 1.008 353 HD13 LEU 43 3HD1 LEU 43 -14.238 -4.732 1.878 354 HD21 LEU 43 1HD2 LEU 43 -16.580 -5.265 2.457 355 HD22 LEU 43 2HD2 LEU 43 -17.243 -6.857 2.081 356 HD23 LEU 43 3HD2 LEU 43 -16.956 -5.692 0.787 357 H ASN 44 H ASN 44 -15.313 -11.240 1.431 358 HA ASN 44 HA ASN 44 -14.961 -13.217 0.386 359 HB2 ASN 44 1HB ASN 44 -17.224 -12.653 -0.669 360 HB3 ASN 44 2HB ASN 44 -16.311 -12.125 -2.076 361 HD21 ASN 44 1HD2 ASN 44 -15.407 -13.639 -3.424 362 HD22 ASN 44 2HD2 ASN 44 -15.687 -15.337 -3.256 363 H ILE 45 H ILE 45 -13.334 -10.680 0.019 364 HA ILE 45 HA ILE 45 -11.812 -11.329 -2.373 365 HB ILE 45 HB ILE 45 -11.201 -9.259 -0.261 366 HG12 ILE 45 1HG1 ILE 45 -12.545 -8.888 -2.944 367 HG13 ILE 45 2HG1 ILE 45 -13.385 -8.889 -1.398 368 HG21 ILE 45 1HG2 ILE 45 -9.264 -9.941 -1.591 369 HG22 ILE 45 2HG2 ILE 45 -9.740 -8.283 -1.965 370 HG23 ILE 45 3HG2 ILE 45 -10.155 -9.592 -3.073 371 HD11 ILE 45 1HD1 ILE 45 -12.204 -6.907 -0.713 372 HD12 ILE 45 2HD1 ILE 45 -12.970 -6.631 -2.277 373 HD13 ILE 45 3HD1 ILE 45 -11.236 -6.939 -2.186 374 H MET 46 H MET 46 -11.347 -13.476 -1.603 375 HA MET 46 HA MET 46 -9.689 -13.718 0.759 376 HB2 MET 46 1HB MET 46 -10.681 -15.815 -1.177 377 HB3 MET 46 2HB MET 46 -9.839 -16.141 0.331 378 HG2 MET 46 1HG MET 46 -12.333 -14.521 0.392 379 HG3 MET 46 2HG MET 46 -12.448 -16.262 0.171 380 HE1 MET 46 1HE MET 46 -9.700 -14.383 2.536 381 HE2 MET 46 2HE MET 46 -10.770 -14.144 3.916 382 HE3 MET 46 3HE MET 46 -11.140 -13.380 2.370 383 H ASP 47 H ASP 47 -9.245 -13.043 -2.425 384 HA ASP 47 HA ASP 47 -6.942 -14.389 -3.226 385 HB2 ASP 47 1HB ASP 47 -7.804 -11.547 -3.787 386 HB3 ASP 47 2HB ASP 47 -6.584 -12.425 -4.700 387 HA PRO 48 HA PRO 48 -4.533 -13.103 0.297 388 HB2 PRO 48 1HB PRO 48 -2.375 -14.438 -1.234 389 HB3 PRO 48 2HB PRO 48 -2.920 -14.707 0.422 390 HG2 PRO 48 1HG PRO 48 -3.527 -16.438 -1.489 391 HG3 PRO 48 2HG PRO 48 -4.704 -16.021 -0.233 392 HD2 PRO 48 1HD PRO 48 -4.555 -15.098 -3.069 393 HD3 PRO 48 2HD PRO 48 -5.971 -15.538 -2.095 394 H GLN 49 H GLN 49 -2.867 -12.880 -2.864 395 HA GLN 49 HA GLN 49 -1.122 -10.817 -1.972 396 HB2 GLN 49 1HB GLN 49 -1.835 -11.883 -4.689 397 HB3 GLN 49 2HB GLN 49 -0.763 -10.506 -4.494 398 HG2 GLN 49 1HG GLN 49 0.822 -11.802 -3.301 399 HG3 GLN 49 2HG GLN 49 -0.291 -13.161 -3.177 400 HE21 GLN 49 1HE2 GLN 49 1.863 -11.395 -5.238 401 HE22 GLN 49 2HE2 GLN 49 1.925 -12.566 -6.508 402 H HIS 50 H HIS 50 -4.206 -10.904 -3.581 403 HA HIS 50 HA HIS 50 -4.264 -8.154 -4.307 404 HB2 HIS 50 1HB HIS 50 -6.511 -10.144 -3.947 405 HB3 HIS 50 2HB HIS 50 -6.697 -8.554 -4.671 406 HD1 HIS 50 HD1 HIS 50 -7.486 -9.789 -6.910 407 HD2 HIS 50 HD2 HIS 50 -3.550 -10.504 -5.763 408 HE1 HIS 50 HE1 HIS 50 -6.383 -10.863 -8.888 409 HE2 HIS 50 HE2 HIS 50 -4.034 -11.374 -8.145 410 H ARG 51 H ARG 51 -5.435 -10.026 -1.576 411 HA ARG 51 HA ARG 51 -6.520 -8.001 -0.002 412 HB2 ARG 51 1HB ARG 51 -4.999 -10.510 0.697 413 HB3 ARG 51 2HB ARG 51 -5.664 -9.451 1.932 414 HG2 ARG 51 1HG ARG 51 -7.831 -9.996 1.423 415 HG3 ARG 51 2HG ARG 51 -7.438 -10.461 -0.231 416 HD2 ARG 51 1HD ARG 51 -8.004 -12.396 1.144 417 HD3 ARG 51 2HD ARG 51 -6.347 -12.467 0.565 418 HE ARG 51 HE ARG 51 -6.334 -11.311 3.113 419 HH11 ARG 51 1HH1 ARG 51 -7.008 -14.368 1.555 420 HH12 ARG 51 2HH1 ARG 51 -6.613 -15.320 2.950 421 HH21 ARG 51 1HH2 ARG 51 -5.785 -12.563 4.975 422 HH22 ARG 51 2HH2 ARG 51 -5.904 -14.297 4.884 423 H ALA 52 H ALA 52 -3.227 -9.270 -0.050 424 HA ALA 52 HA ALA 52 -2.032 -7.665 1.813 425 HB1 ALA 52 1HB ALA 52 0.057 -8.191 0.688 426 HB2 ALA 52 2HB ALA 52 -0.827 -8.674 -0.756 427 HB3 ALA 52 3HB ALA 52 -0.995 -9.602 0.732 428 H LYS 53 H LYS 53 -2.512 -6.974 -1.637 429 HA LYS 53 HA LYS 53 -1.214 -4.462 -1.604 430 HB2 LYS 53 1HB LYS 53 -3.428 -5.347 -3.454 431 HB3 LYS 53 2HB LYS 53 -2.271 -4.056 -3.743 432 HG2 LYS 53 1HG LYS 53 -0.496 -5.912 -3.479 433 HG3 LYS 53 2HG LYS 53 -1.845 -7.010 -3.765 434 HD2 LYS 53 1HD LYS 53 -1.008 -6.711 -5.897 435 HD3 LYS 53 2HD LYS 53 -2.279 -5.491 -5.838 436 HE2 LYS 53 1HE LYS 53 -0.675 -3.762 -5.376 437 HE3 LYS 53 2HE LYS 53 0.620 -4.955 -5.230 438 HZ1 LYS 53 1HZ LYS 53 0.741 -3.925 -7.369 439 HZ2 LYS 53 2HZ LYS 53 -0.884 -4.251 -7.694 440 HZ3 LYS 53 3HZ LYS 53 0.232 -5.522 -7.590 441 H LEU 54 H LEU 54 -4.657 -5.331 -1.401 442 HA LEU 54 HA LEU 54 -5.722 -2.778 -1.274 443 HB2 LEU 54 1HB LEU 54 -6.665 -5.346 -0.019 444 HB3 LEU 54 2HB LEU 54 -7.616 -3.876 -0.027 445 HG LEU 54 HG LEU 54 -6.651 -5.262 -2.525 446 HD11 LEU 54 1HD1 LEU 54 -8.981 -6.014 -2.765 447 HD12 LEU 54 2HD1 LEU 54 -9.323 -5.403 -1.145 448 HD13 LEU 54 3HD1 LEU 54 -8.175 -6.723 -1.366 449 HD21 LEU 54 1HD2 LEU 54 -8.344 -3.855 -3.611 450 HD22 LEU 54 2HD2 LEU 54 -7.081 -2.903 -2.831 451 HD23 LEU 54 3HD2 LEU 54 -8.662 -3.068 -2.066 452 H LEU 55 H LEU 55 -4.581 -4.820 1.414 453 HA LEU 55 HA LEU 55 -5.348 -2.962 3.417 454 HB2 LEU 55 1HB LEU 55 -3.541 -5.340 3.400 455 HB3 LEU 55 2HB LEU 55 -3.610 -4.292 4.802 456 HG LEU 55 HG LEU 55 -5.105 -5.979 5.333 457 HD11 LEU 55 1HD1 LEU 55 -7.269 -4.975 5.358 458 HD12 LEU 55 2HD1 LEU 55 -6.851 -3.927 4.004 459 HD13 LEU 55 3HD1 LEU 55 -6.056 -3.710 5.564 460 HD21 LEU 55 1HD2 LEU 55 -5.133 -7.070 3.140 461 HD22 LEU 55 2HD2 LEU 55 -6.235 -5.827 2.546 462 HD23 LEU 55 3HD2 LEU 55 -6.751 -6.924 3.825 463 H THR 56 H THR 56 -2.362 -3.453 1.628 464 HA THR 56 HA THR 56 -0.774 -1.662 3.133 465 HB THR 56 HB THR 56 -0.541 -2.338 0.199 466 HG1 THR 56 HG1 THR 56 -0.387 -4.248 1.256 467 HG21 THR 56 1HG2 THR 56 0.798 -0.396 0.873 468 HG22 THR 56 2HG2 THR 56 1.824 -1.783 0.499 469 HG23 THR 56 3HG2 THR 56 1.509 -1.347 2.177 470 H ALA 57 H ALA 57 -2.855 -1.286 0.321 471 HA ALA 57 HA ALA 57 -2.364 1.427 -0.157 472 HB1 ALA 57 1HB ALA 57 -4.503 1.390 -1.360 473 HB2 ALA 57 2HB ALA 57 -4.831 -0.210 -0.694 474 HB3 ALA 57 3HB ALA 57 -3.467 0.031 -1.781 475 H ALA 58 H ALA 58 -4.847 -0.197 1.796 476 HA ALA 58 HA ALA 58 -6.149 2.078 2.752 477 HB1 ALA 58 1HB ALA 58 -6.999 -0.206 3.027 478 HB2 ALA 58 2HB ALA 58 -6.957 0.669 4.559 479 HB3 ALA 58 3HB ALA 58 -5.717 -0.535 4.195 480 H GLU 59 H GLU 59 -3.353 0.339 4.038 481 HA GLU 59 HA GLU 59 -2.962 1.820 6.365 482 HB2 GLU 59 1HB GLU 59 -1.141 0.235 4.594 483 HB3 GLU 59 2HB GLU 59 -0.490 1.120 5.963 484 HG2 GLU 59 1HG GLU 59 -2.605 -1.010 6.069 485 HG3 GLU 59 2HG GLU 59 -0.917 -1.187 6.543 486 H LEU 60 H LEU 60 -1.537 2.317 3.132 487 HA LEU 60 HA LEU 60 -0.133 4.636 4.005 488 HB2 LEU 60 1HB LEU 60 -0.459 3.206 1.448 489 HB3 LEU 60 2HB LEU 60 -0.070 4.913 1.334 490 HG LEU 60 HG LEU 60 1.941 4.562 2.682 491 HD11 LEU 60 1HD1 LEU 60 1.168 2.712 4.056 492 HD12 LEU 60 2HD1 LEU 60 2.689 2.317 3.250 493 HD13 LEU 60 3HD1 LEU 60 1.169 1.654 2.644 494 HD21 LEU 60 1HD2 LEU 60 2.260 4.440 0.349 495 HD22 LEU 60 2HD2 LEU 60 1.593 2.812 0.275 496 HD23 LEU 60 3HD2 LEU 60 3.155 3.088 1.048 497 H LEU 61 H LEU 61 -3.312 4.145 2.562 498 HA LEU 61 HA LEU 61 -3.753 6.925 2.055 499 HB2 LEU 61 1HB LEU 61 -5.728 4.710 2.599 500 HB3 LEU 61 2HB LEU 61 -6.160 6.321 2.065 501 HG LEU 61 HG LEU 61 -4.624 4.248 0.510 502 HD11 LEU 61 1HD1 LEU 61 -7.145 4.119 0.783 503 HD12 LEU 61 2HD1 LEU 61 -6.516 4.122 -0.861 504 HD13 LEU 61 3HD1 LEU 61 -7.213 5.593 -0.181 505 HD21 LEU 61 1HD2 LEU 61 -4.626 5.889 -1.319 506 HD22 LEU 61 2HD2 LEU 61 -3.674 6.439 0.062 507 HD23 LEU 61 3HD2 LEU 61 -5.286 7.100 -0.219 508 H LEU 62 H LEU 62 -3.909 4.876 4.810 509 HA LEU 62 HA LEU 62 -5.456 6.580 6.482 510 HB2 LEU 62 1HB LEU 62 -5.239 4.156 6.823 511 HB3 LEU 62 2HB LEU 62 -3.533 4.356 7.155 512 HG LEU 62 HG LEU 62 -4.155 5.746 9.144 513 HD11 LEU 62 1HD1 LEU 62 -6.441 5.586 9.981 514 HD12 LEU 62 2HD1 LEU 62 -6.920 4.722 8.521 515 HD13 LEU 62 3HD1 LEU 62 -6.388 6.399 8.417 516 HD21 LEU 62 1HD2 LEU 62 -4.768 3.822 10.521 517 HD22 LEU 62 2HD2 LEU 62 -3.525 3.396 9.343 518 HD23 LEU 62 3HD2 LEU 62 -5.201 2.918 9.070 519 H ASP 63 H ASP 63 -2.027 6.137 5.849 520 HA ASP 63 HA ASP 63 -1.389 8.090 7.936 521 HB2 ASP 63 1HB ASP 63 -0.208 5.692 7.263 522 HB3 ASP 63 2HB ASP 63 0.877 6.889 6.559 523 H TYR 64 H TYR 64 -1.018 7.557 4.479 524 HA TYR 64 HA TYR 64 0.295 10.161 4.178 525 HB2 TYR 64 1HB TYR 64 -0.079 7.865 2.252 526 HB3 TYR 64 2HB TYR 64 0.635 9.408 1.802 527 HD1 TYR 64 HD1 TYR 64 1.087 6.370 3.822 528 HD2 TYR 64 HD2 TYR 64 2.873 9.947 2.390 529 HE1 TYR 64 HE1 TYR 64 3.279 5.555 4.547 530 HE2 TYR 64 HE2 TYR 64 5.077 9.148 3.110 531 HH TYR 64 HH TYR 64 6.037 7.570 4.693 532 H ASP 65 H ASP 65 -2.160 10.593 4.934 533 HA ASP 65 HA ASP 65 -4.050 10.585 2.758 534 HB2 ASP 65 1HB ASP 65 -4.721 10.218 5.118 535 HB3 ASP 65 2HB ASP 65 -4.261 11.877 5.483 536 H THR 66 H THR 66 -1.908 11.890 1.908 537 HA THR 66 HA THR 66 -1.056 13.793 1.031 538 HB THR 66 HB THR 66 -2.743 15.290 -0.047 539 HG1 THR 66 HG1 THR 66 -4.363 14.202 1.771 540 HG21 THR 66 1HG2 THR 66 -3.181 12.332 -0.432 541 HG22 THR 66 2HG2 THR 66 -1.877 13.278 -1.154 542 HG23 THR 66 3HG2 THR 66 -3.554 13.597 -1.602 543 H GLY 67 H GLY 67 -1.024 13.941 3.810 544 HA2 GLY 67 1HA GLY 67 -2.140 16.494 4.617 545 HA3 GLY 67 2HA GLY 67 -1.228 15.386 5.630 546 H CYS 68 H CYS 68 -0.202 16.626 2.524 547 HA CYS 68 HA CYS 68 1.583 17.835 1.844 548 HB2 CYS 68 1HB CYS 68 1.165 19.157 4.518 549 HB3 CYS 68 2HB CYS 68 2.280 19.745 3.295 550 H GLU 69 H GLU 69 3.897 18.459 2.393 551 HA GLU 69 HA GLU 69 5.232 16.159 3.430 552 HB2 GLU 69 1HB GLU 69 6.501 18.820 2.781 553 HB3 GLU 69 2HB GLU 69 7.265 17.238 2.784 554 HG2 GLU 69 1HG GLU 69 6.991 17.435 0.563 555 HG3 GLU 69 2HG GLU 69 5.389 16.801 0.933 556 H1 GLY 1 1H GLY 1 2.835 7.571 10.325 557 H2 GLY 1 2H GLY 1 1.716 8.820 10.536 558 H3 GLY 1 3H GLY 1 3.237 8.916 11.272 559 HA2 GLY 1 2HA GLY 1 2.689 8.975 8.358 560 HA3 GLY 1 1HA GLY 1 3.153 10.353 9.348 561 HA PRO 2 HA PRO 2 6.944 7.331 8.871 562 HB2 PRO 2 1HB PRO 2 6.491 6.241 6.201 563 HB3 PRO 2 2HB PRO 2 6.890 5.396 7.698 564 HG2 PRO 2 1HG PRO 2 4.464 5.197 6.536 565 HG3 PRO 2 2HG PRO 2 4.688 5.128 8.294 566 HD2 PRO 2 1HD PRO 2 3.771 7.413 6.591 567 HD3 PRO 2 2HD PRO 2 3.169 6.874 8.173 568 H LYS 3 H LYS 3 8.333 8.939 8.565 569 HA LYS 3 HA LYS 3 8.385 10.388 6.040 570 HB2 LYS 3 1HB LYS 3 10.107 10.733 8.497 571 HB3 LYS 3 2HB LYS 3 10.029 11.824 7.124 572 HG2 LYS 3 1HG LYS 3 7.703 11.209 8.926 573 HG3 LYS 3 2HG LYS 3 8.778 12.589 9.131 574 HD2 LYS 3 1HD LYS 3 7.124 12.038 6.665 575 HD3 LYS 3 2HD LYS 3 6.671 13.153 7.954 576 HE2 LYS 3 1HE LYS 3 8.792 14.400 7.513 577 HE3 LYS 3 2HE LYS 3 9.055 13.355 6.119 578 HZ1 LYS 3 1HZ LYS 3 6.777 15.218 6.526 579 HZ2 LYS 3 2HZ LYS 3 6.919 14.147 5.224 580 HZ3 LYS 3 3HZ LYS 3 8.043 15.393 5.416 581 H THR 4 H THR 4 9.864 7.736 7.560 582 HA THR 4 HA THR 4 12.052 7.821 5.614 583 HB THR 4 HB THR 4 13.385 6.470 7.256 584 HG1 THR 4 HG1 THR 4 11.806 7.430 9.340 585 HG21 THR 4 1HG2 THR 4 13.977 8.407 8.664 586 HG22 THR 4 2HG2 THR 4 12.529 9.239 8.093 587 HG23 THR 4 3HG2 THR 4 13.819 8.835 6.961 588 H LEU 5 H LEU 5 13.026 5.634 5.247 589 HA LEU 5 HA LEU 5 11.110 4.024 4.014 590 HB2 LEU 5 1HB LEU 5 13.580 4.320 3.490 591 HB3 LEU 5 2HB LEU 5 13.902 3.188 4.783 592 HG LEU 5 HG LEU 5 13.839 2.384 2.310 593 HD11 LEU 5 1HD1 LEU 5 14.191 0.879 4.139 594 HD12 LEU 5 2HD1 LEU 5 13.000 0.178 3.042 595 HD13 LEU 5 3HD1 LEU 5 12.478 0.919 4.556 596 HD21 LEU 5 1HD2 LEU 5 10.912 2.301 3.015 597 HD22 LEU 5 2HD2 LEU 5 11.664 1.602 1.580 598 HD23 LEU 5 3HD2 LEU 5 11.652 3.352 1.805 599 H HIS 6 H HIS 6 13.031 3.427 6.937 600 HA HIS 6 HA HIS 6 12.100 0.921 7.616 601 HB2 HIS 6 1HB HIS 6 13.957 1.968 8.768 602 HB3 HIS 6 2HB HIS 6 12.897 3.207 9.420 603 HD1 HIS 6 HD1 HIS 6 11.785 2.728 11.623 604 HD2 HIS 6 HD2 HIS 6 13.484 -0.667 9.913 605 HE1 HIS 6 HE1 HIS 6 11.653 0.930 13.377 606 HE2 HIS 6 HE2 HIS 6 12.657 -1.116 12.319 607 H GLU 7 H GLU 7 10.700 4.058 8.444 608 HA GLU 7 HA GLU 7 8.748 3.008 10.201 609 HB2 GLU 7 1HB GLU 7 8.735 5.631 8.711 610 HB3 GLU 7 2HB GLU 7 7.752 5.235 10.114 611 HG2 GLU 7 1HG GLU 7 10.746 5.494 10.020 612 HG3 GLU 7 2HG GLU 7 9.610 6.607 10.775 613 H LEU 8 H LEU 8 8.854 3.616 6.768 614 HA LEU 8 HA LEU 8 6.072 3.300 6.284 615 HB2 LEU 8 1HB LEU 8 7.722 4.427 4.778 616 HB3 LEU 8 2HB LEU 8 8.373 2.850 4.386 617 HG LEU 8 HG LEU 8 6.716 3.971 2.758 618 HD11 LEU 8 1HD1 LEU 8 6.333 1.129 3.655 619 HD12 LEU 8 2HD1 LEU 8 7.495 1.710 2.462 620 HD13 LEU 8 3HD1 LEU 8 5.766 1.799 2.128 621 HD21 LEU 8 1HD2 LEU 8 4.746 2.795 4.701 622 HD22 LEU 8 2HD2 LEU 8 4.385 3.587 3.165 623 HD23 LEU 8 3HD2 LEU 8 5.058 4.518 4.502 624 H LEU 9 H LEU 9 8.850 1.117 6.171 625 HA LEU 9 HA LEU 9 7.473 -1.140 5.231 626 HB2 LEU 9 1HB LEU 9 10.016 -0.717 6.727 627 HB3 LEU 9 2HB LEU 9 9.379 -2.340 6.589 628 HG LEU 9 HG LEU 9 11.093 -1.769 4.876 629 HD11 LEU 9 1HD1 LEU 9 9.858 -2.693 2.981 630 HD12 LEU 9 2HD1 LEU 9 8.340 -2.389 3.829 631 HD13 LEU 9 3HD1 LEU 9 9.496 -3.551 4.478 632 HD21 LEU 9 1HD2 LEU 9 10.458 0.573 4.543 633 HD22 LEU 9 2HD2 LEU 9 8.957 0.046 3.782 634 HD23 LEU 9 3HD2 LEU 9 10.509 -0.328 3.029 635 H GLU 10 H GLU 10 7.942 0.100 8.506 636 HA GLU 10 HA GLU 10 6.693 -2.103 9.794 637 HB2 GLU 10 1HB GLU 10 7.028 0.754 10.705 638 HB3 GLU 10 2HB GLU 10 6.430 -0.549 11.722 639 HG2 GLU 10 1HG GLU 10 8.612 -1.735 11.235 640 HG3 GLU 10 2HG GLU 10 9.173 -0.203 10.563 641 H ARG 11 H ARG 11 5.513 0.796 8.274 642 HA ARG 11 HA ARG 11 2.898 0.806 9.319 643 HB2 ARG 11 1HB ARG 11 3.621 2.796 8.299 644 HB3 ARG 11 2HB ARG 11 4.198 1.959 6.869 645 HG2 ARG 11 1HG ARG 11 2.207 3.304 6.434 646 HG3 ARG 11 2HG ARG 11 1.942 1.591 6.121 647 HD2 ARG 11 1HD ARG 11 0.025 2.520 7.244 648 HD3 ARG 11 2HD ARG 11 0.846 1.385 8.308 649 HE ARG 11 HE ARG 11 1.634 4.128 8.699 650 HH11 ARG 11 1HH1 ARG 11 -0.703 1.647 9.533 651 HH12 ARG 11 2HH1 ARG 11 -1.145 2.405 11.036 652 HH21 ARG 11 1HH2 ARG 11 1.044 5.132 10.644 653 HH22 ARG 11 2HH2 ARG 11 -0.144 4.388 11.674 654 H ILE 12 H ILE 12 4.343 -0.773 6.512 655 HA ILE 12 HA ILE 12 1.737 -1.839 5.761 656 HB ILE 12 HB ILE 12 2.794 -2.593 3.716 657 HG12 ILE 12 1HG1 ILE 12 5.345 -1.396 4.823 658 HG13 ILE 12 2HG1 ILE 12 5.029 -3.122 4.686 659 HG21 ILE 12 1HG2 ILE 12 3.342 -0.385 2.821 660 HG22 ILE 12 2HG2 ILE 12 3.514 0.236 4.461 661 HG23 ILE 12 3HG2 ILE 12 1.938 -0.317 3.888 662 HD11 ILE 12 1HD1 ILE 12 5.169 -1.172 2.403 663 HD12 ILE 12 2HD1 ILE 12 4.862 -2.905 2.267 664 HD13 ILE 12 3HD1 ILE 12 6.419 -2.328 2.865 665 H GLY 13 H GLY 13 4.477 -2.807 7.514 666 HA2 GLY 13 1HA GLY 13 4.454 -4.710 8.893 667 HA3 GLY 13 2HA GLY 13 3.237 -5.424 7.850 668 H LEU 14 H LEU 14 6.161 -4.021 6.586 669 HA LEU 14 HA LEU 14 7.197 -6.727 6.099 670 HB2 LEU 14 1HB LEU 14 7.027 -4.410 4.208 671 HB3 LEU 14 2HB LEU 14 8.248 -5.647 4.003 672 HG LEU 14 HG LEU 14 6.521 -6.272 2.562 673 HD11 LEU 14 1HD1 LEU 14 5.687 -8.352 3.431 674 HD12 LEU 14 2HD1 LEU 14 6.024 -7.833 5.080 675 HD13 LEU 14 3HD1 LEU 14 7.354 -8.109 3.954 676 HD21 LEU 14 1HD2 LEU 14 4.780 -4.803 3.313 677 HD22 LEU 14 2HD2 LEU 14 4.584 -5.741 4.796 678 HD23 LEU 14 3HD2 LEU 14 4.175 -6.455 3.236 679 H GLU 15 H GLU 15 7.792 -4.928 8.256 680 HA GLU 15 HA GLU 15 10.224 -3.596 7.943 681 HB2 GLU 15 1HB GLU 15 10.494 -3.870 10.372 682 HB3 GLU 15 2HB GLU 15 8.871 -3.344 9.943 683 HG2 GLU 15 1HG GLU 15 8.034 -5.593 10.231 684 HG3 GLU 15 2HG GLU 15 9.659 -6.174 10.582 685 H GLU 16 H GLU 16 9.490 -6.929 7.962 686 HA GLU 16 HA GLU 16 11.943 -8.083 8.638 687 HB2 GLU 16 1HB GLU 16 11.166 -10.000 7.268 688 HB3 GLU 16 2HB GLU 16 9.942 -9.421 8.390 689 HG2 GLU 16 1HG GLU 16 8.825 -8.233 6.594 690 HG3 GLU 16 2HG GLU 16 10.080 -8.734 5.463 691 H HIS 17 H HIS 17 11.061 -6.202 5.911 692 HA HIS 17 HA HIS 17 13.444 -7.156 4.467 693 HB2 HIS 17 1HB HIS 17 10.848 -6.084 3.376 694 HB3 HIS 17 2HB HIS 17 12.292 -6.301 2.397 695 HD1 HIS 17 HD1 HIS 17 13.279 -8.979 2.810 696 HD2 HIS 17 HD2 HIS 17 9.211 -8.171 3.089 697 HE1 HIS 17 HE1 HIS 17 12.128 -11.191 2.524 698 HE2 HIS 17 HE2 HIS 17 9.713 -10.707 3.027 699 H THR 18 H THR 18 12.573 -4.710 6.377 700 HA THR 18 HA THR 18 13.094 -2.370 4.970 701 HB THR 18 HB THR 18 14.083 -2.851 7.768 702 HG1 THR 18 HG1 THR 18 12.076 -3.082 8.352 703 HG21 THR 18 1HG2 THR 18 13.567 -0.458 8.013 704 HG22 THR 18 2HG2 THR 18 13.074 -0.407 6.322 705 HG23 THR 18 3HG2 THR 18 14.752 -0.753 6.742 706 H SER 19 H SER 19 15.325 -4.579 6.590 707 HA SER 19 HA SER 19 17.695 -3.203 5.969 708 HB2 SER 19 1HB SER 19 17.502 -4.980 7.694 709 HB3 SER 19 2HB SER 19 17.313 -6.168 6.412 710 HG SER 19 HG SER 19 19.418 -6.264 6.681 711 H THR 20 H THR 20 15.867 -5.707 4.272 712 HA THR 20 HA THR 20 17.627 -6.270 2.201 713 HB THR 20 HB THR 20 14.631 -6.053 1.903 714 HG1 THR 20 HG1 THR 20 16.240 -8.087 3.077 715 HG21 THR 20 1HG2 THR 20 14.956 -7.895 0.293 716 HG22 THR 20 2HG2 THR 20 16.699 -7.779 0.539 717 HG23 THR 20 3HG2 THR 20 15.818 -6.429 -0.181 718 H LEU 21 H LEU 21 15.012 -3.856 2.277 719 HA LEU 21 HA LEU 21 15.633 -2.670 -0.197 720 HB2 LEU 21 1HB LEU 21 14.129 -1.761 2.230 721 HB3 LEU 21 2HB LEU 21 14.441 -0.636 0.934 722 HG LEU 21 HG LEU 21 12.335 -1.362 0.396 723 HD11 LEU 21 1HD1 LEU 21 12.451 -2.827 -1.501 724 HD12 LEU 21 2HD1 LEU 21 14.017 -3.442 -0.972 725 HD13 LEU 21 3HD1 LEU 21 13.858 -1.762 -1.489 726 HD21 LEU 21 1HD2 LEU 21 13.088 -4.138 1.278 727 HD22 LEU 21 2HD2 LEU 21 11.514 -3.649 0.648 728 HD23 LEU 21 3HD2 LEU 21 12.098 -2.986 2.175 729 H LEU 22 H LEU 22 16.497 -1.791 3.111 730 HA LEU 22 HA LEU 22 17.878 0.559 2.659 731 HB2 LEU 22 1HB LEU 22 17.190 -0.658 4.838 732 HB3 LEU 22 2HB LEU 22 18.741 -1.459 4.702 733 HG LEU 22 HG LEU 22 19.832 0.793 4.724 734 HD11 LEU 22 1HD1 LEU 22 17.040 1.684 5.423 735 HD12 LEU 22 2HD1 LEU 22 17.961 2.132 3.987 736 HD13 LEU 22 3HD1 LEU 22 18.493 2.669 5.579 737 HD21 LEU 22 1HD2 LEU 22 18.129 0.064 7.102 738 HD22 LEU 22 2HD2 LEU 22 19.547 1.111 7.134 739 HD23 LEU 22 3HD2 LEU 22 19.719 -0.594 6.719 740 H LEU 23 H LEU 23 19.098 -2.765 2.620 741 HA LEU 23 HA LEU 23 21.822 -2.010 2.213 742 HB2 LEU 23 1HB LEU 23 20.444 -4.664 1.842 743 HB3 LEU 23 2HB LEU 23 22.178 -4.420 1.834 744 HG LEU 23 HG LEU 23 20.334 -3.979 4.182 745 HD11 LEU 23 1HD1 LEU 23 22.425 -6.086 3.674 746 HD12 LEU 23 2HD1 LEU 23 20.679 -6.329 3.660 747 HD13 LEU 23 3HD1 LEU 23 21.495 -5.887 5.159 748 HD21 LEU 23 1HD2 LEU 23 22.406 -3.628 5.460 749 HD22 LEU 23 2HD2 LEU 23 22.162 -2.391 4.228 750 HD23 LEU 23 3HD2 LEU 23 23.328 -3.686 3.958 751 H ASN 24 H ASN 24 19.121 -2.515 0.143 752 HA ASN 24 HA ASN 24 20.868 -2.884 -2.168 753 HB2 ASN 24 1HB ASN 24 17.966 -3.394 -1.680 754 HB3 ASN 24 2HB ASN 24 18.545 -3.182 -3.329 755 HD21 ASN 24 1HD2 ASN 24 18.482 -5.220 -0.558 756 HD22 ASN 24 2HD2 ASN 24 19.261 -6.589 -1.282 757 H GLY 25 H GLY 25 19.936 -0.341 -0.541 758 HA2 GLY 25 1HA GLY 25 20.623 1.779 -1.421 759 HA3 GLY 25 2HA GLY 25 20.034 1.275 -2.995 760 H TYR 26 H TYR 26 17.689 0.219 -1.128 761 HA TYR 26 HA TYR 26 16.061 2.572 -1.598 762 HB2 TYR 26 1HB TYR 26 15.366 -0.189 -0.604 763 HB3 TYR 26 2HB TYR 26 14.189 1.081 -0.926 764 HD1 TYR 26 HD1 TYR 26 16.114 -1.599 -2.302 765 HD2 TYR 26 HD2 TYR 26 14.040 1.977 -3.296 766 HE1 TYR 26 HE1 TYR 26 16.021 -2.313 -4.651 767 HE2 TYR 26 HE2 TYR 26 13.935 1.273 -5.644 768 HH TYR 26 HH TYR 26 15.294 -0.245 -7.155 769 H GLN 27 H GLN 27 17.151 3.859 -0.029 770 HA GLN 27 HA GLN 27 16.788 3.025 2.754 771 HB2 GLN 27 1HB GLN 27 18.539 5.229 1.681 772 HB3 GLN 27 2HB GLN 27 18.562 4.548 3.303 773 HG2 GLN 27 1HG GLN 27 19.201 2.362 2.277 774 HG3 GLN 27 2HG GLN 27 19.371 3.206 0.743 775 HE21 GLN 27 1HE2 GLN 27 21.351 1.774 2.296 776 HE22 GLN 27 2HE2 GLN 27 22.609 2.906 2.646 777 H THR 28 H THR 28 15.535 5.075 0.426 778 HA THR 28 HA THR 28 14.179 6.624 2.519 779 HB THR 28 HB THR 28 14.135 8.585 1.087 780 HG1 THR 28 HG1 THR 28 15.756 7.075 -0.728 781 HG21 THR 28 1HG2 THR 28 16.533 9.151 1.068 782 HG22 THR 28 2HG2 THR 28 16.920 7.453 1.357 783 HG23 THR 28 3HG2 THR 28 16.044 8.379 2.576 784 H LEU 29 H LEU 29 12.096 7.550 1.730 785 HA LEU 29 HA LEU 29 10.500 5.564 0.474 786 HB2 LEU 29 1HB LEU 29 9.892 8.479 0.974 787 HB3 LEU 29 2HB LEU 29 8.716 7.225 0.628 788 HG LEU 29 HG LEU 29 10.453 7.387 3.092 789 HD11 LEU 29 1HD1 LEU 29 8.698 9.073 3.064 790 HD12 LEU 29 2HD1 LEU 29 8.354 7.823 4.261 791 HD13 LEU 29 3HD1 LEU 29 7.495 7.828 2.720 792 HD21 LEU 29 1HD2 LEU 29 9.990 5.084 2.385 793 HD22 LEU 29 2HD2 LEU 29 8.262 5.441 2.402 794 HD23 LEU 29 3HD2 LEU 29 9.190 5.497 3.900 795 H GLU 30 H GLU 30 12.280 8.317 -0.574 796 HA GLU 30 HA GLU 30 11.150 8.654 -3.143 797 HB2 GLU 30 1HB GLU 30 13.957 9.267 -2.210 798 HB3 GLU 30 2HB GLU 30 13.169 9.930 -3.637 799 HG2 GLU 30 1HG GLU 30 11.524 11.039 -2.208 800 HG3 GLU 30 2HG GLU 30 12.327 10.382 -0.783 801 H ASP 31 H ASP 31 13.546 6.498 -1.809 802 HA ASP 31 HA ASP 31 14.306 5.434 -4.382 803 HB2 ASP 31 1HB ASP 31 14.813 4.388 -1.588 804 HB3 ASP 31 2HB ASP 31 15.479 3.691 -3.057 805 H PHE 32 H PHE 32 12.223 4.541 -1.694 806 HA PHE 32 HA PHE 32 11.662 1.930 -2.568 807 HB2 PHE 32 1HB PHE 32 11.325 2.829 -0.248 808 HB3 PHE 32 2HB PHE 32 9.885 3.648 -0.839 809 HD1 PHE 32 HD1 PHE 32 7.890 2.408 -1.375 810 HD2 PHE 32 HD2 PHE 32 11.390 0.409 -0.034 811 HE1 PHE 32 HE1 PHE 32 6.570 0.382 -0.973 812 HE2 PHE 32 HE2 PHE 32 10.075 -1.629 0.371 813 HZ PHE 32 HZ PHE 32 7.657 -1.641 -0.098 814 H LYS 33 H LYS 33 10.230 5.005 -3.448 815 HA LYS 33 HA LYS 33 7.893 3.893 -4.631 816 HB2 LYS 33 1HB LYS 33 7.666 6.075 -5.751 817 HB3 LYS 33 2HB LYS 33 7.958 6.235 -4.026 818 HG2 LYS 33 1HG LYS 33 10.279 6.768 -4.436 819 HG3 LYS 33 2HG LYS 33 10.048 6.529 -6.168 820 HD2 LYS 33 1HD LYS 33 10.021 8.896 -5.617 821 HD3 LYS 33 2HD LYS 33 8.442 8.375 -6.203 822 HE2 LYS 33 1HE LYS 33 7.619 8.252 -3.915 823 HE3 LYS 33 2HE LYS 33 9.203 8.721 -3.307 824 HZ1 LYS 33 1HZ LYS 33 7.410 10.372 -4.997 825 HZ2 LYS 33 2HZ LYS 33 8.966 10.821 -4.520 826 HZ3 LYS 33 3HZ LYS 33 7.754 10.618 -3.356 827 H GLU 34 H GLU 34 11.133 3.847 -5.503 828 HA GLU 34 HA GLU 34 10.610 3.404 -8.348 829 HB2 GLU 34 1HB GLU 34 13.192 3.505 -6.781 830 HB3 GLU 34 2HB GLU 34 13.075 3.317 -8.524 831 HG2 GLU 34 1HG GLU 34 11.964 5.683 -7.057 832 HG3 GLU 34 2HG GLU 34 13.612 5.621 -7.676 833 H LEU 35 H LEU 35 10.419 1.733 -5.603 834 HA LEU 35 HA LEU 35 11.846 -0.658 -6.247 835 HB2 LEU 35 1HB LEU 35 11.424 0.097 -3.941 836 HB3 LEU 35 2HB LEU 35 9.704 -0.084 -4.194 837 HG LEU 35 HG LEU 35 10.923 -1.871 -2.847 838 HD11 LEU 35 1HD1 LEU 35 9.464 -3.603 -3.641 839 HD12 LEU 35 2HD1 LEU 35 9.284 -2.793 -5.196 840 HD13 LEU 35 3HD1 LEU 35 8.621 -2.056 -3.734 841 HD21 LEU 35 1HD2 LEU 35 11.982 -3.648 -4.123 842 HD22 LEU 35 2HD2 LEU 35 12.831 -2.118 -4.355 843 HD23 LEU 35 3HD2 LEU 35 11.754 -2.729 -5.611 844 H ARG 36 H ARG 36 11.205 -2.183 -7.583 845 HA ARG 36 HA ARG 36 8.347 -2.388 -8.212 846 HB2 ARG 36 1HB ARG 36 10.697 -2.822 -10.054 847 HB3 ARG 36 2HB ARG 36 9.026 -3.172 -10.473 848 HG2 ARG 36 1HG ARG 36 10.236 -0.481 -9.880 849 HG3 ARG 36 2HG ARG 36 9.606 -1.065 -11.422 850 HD2 ARG 36 1HD ARG 36 7.368 -1.267 -10.359 851 HD3 ARG 36 2HD ARG 36 8.038 -0.529 -8.908 852 HE ARG 36 HE ARG 36 8.479 1.099 -11.201 853 HH11 ARG 36 1HH1 ARG 36 6.101 0.157 -8.833 854 HH12 ARG 36 2HH1 ARG 36 5.112 1.574 -9.037 855 HH21 ARG 36 1HH2 ARG 36 7.211 3.003 -11.472 856 HH22 ARG 36 2HH2 ARG 36 5.764 3.202 -10.535 857 H GLU 37 H GLU 37 7.746 -4.594 -9.097 858 HA GLU 37 HA GLU 37 8.406 -6.450 -7.066 859 HB2 GLU 37 1HB GLU 37 6.218 -6.302 -8.317 860 HB3 GLU 37 2HB GLU 37 7.027 -7.083 -9.668 861 HG2 GLU 37 1HG GLU 37 7.485 -9.026 -8.315 862 HG3 GLU 37 2HG GLU 37 6.770 -8.241 -6.908 863 H THR 38 H THR 38 9.370 -6.083 -10.416 864 HA THR 38 HA THR 38 10.858 -8.430 -10.715 865 HB THR 38 HB THR 38 11.490 -5.721 -11.903 866 HG1 THR 38 HG1 THR 38 10.183 -6.784 -13.698 867 HG21 THR 38 1HG2 THR 38 12.047 -8.507 -12.925 868 HG22 THR 38 2HG2 THR 38 13.239 -7.425 -12.205 869 HG23 THR 38 3HG2 THR 38 12.469 -6.996 -13.732 870 H HIS 39 H HIS 39 11.461 -5.518 -8.963 871 HA HIS 39 HA HIS 39 14.294 -5.912 -8.676 872 HB2 HIS 39 1HB HIS 39 12.403 -4.131 -7.121 873 HB3 HIS 39 2HB HIS 39 14.158 -4.091 -7.006 874 HD1 HIS 39 HD1 HIS 39 13.602 -1.490 -7.702 875 HD2 HIS 39 HD2 HIS 39 13.194 -4.397 -10.645 876 HE1 HIS 39 HE1 HIS 39 13.457 -0.238 -9.875 877 HE2 HIS 39 HE2 HIS 39 13.414 -2.024 -11.651 878 H LEU 40 H LEU 40 11.374 -6.606 -6.858 879 HA LEU 40 HA LEU 40 12.586 -7.629 -4.529 880 HB2 LEU 40 1HB LEU 40 9.921 -7.797 -5.800 881 HB3 LEU 40 2HB LEU 40 10.316 -9.063 -4.655 882 HG LEU 40 HG LEU 40 10.573 -7.497 -2.881 883 HD11 LEU 40 1HD1 LEU 40 11.715 -5.779 -4.267 884 HD12 LEU 40 2HD1 LEU 40 10.529 -5.146 -3.130 885 HD13 LEU 40 3HD1 LEU 40 10.126 -5.277 -4.845 886 HD21 LEU 40 1HD2 LEU 40 8.171 -6.881 -4.577 887 HD22 LEU 40 2HD2 LEU 40 8.371 -6.336 -2.913 888 HD23 LEU 40 3HD2 LEU 40 8.299 -8.059 -3.271 889 H ASN 41 H ASN 41 11.745 -9.080 -7.614 890 HA ASN 41 HA ASN 41 12.430 -11.725 -7.122 891 HB2 ASN 41 1HB ASN 41 12.805 -10.026 -9.588 892 HB3 ASN 41 2HB ASN 41 13.162 -11.747 -9.564 893 HD21 ASN 41 1HD2 ASN 41 11.605 -12.182 -11.105 894 HD22 ASN 41 2HD2 ASN 41 9.912 -12.129 -10.755 895 H GLU 42 H GLU 42 14.430 -8.929 -7.718 896 HA GLU 42 HA GLU 42 16.914 -10.354 -7.802 897 HB2 GLU 42 1HB GLU 42 16.329 -7.418 -7.402 898 HB3 GLU 42 2HB GLU 42 17.899 -8.104 -7.787 899 HG2 GLU 42 1HG GLU 42 15.478 -8.341 -9.548 900 HG3 GLU 42 2HG GLU 42 16.701 -7.087 -9.711 901 H LEU 43 H LEU 43 15.071 -8.557 -5.420 902 HA LEU 43 HA LEU 43 17.107 -8.563 -3.410 903 HB2 LEU 43 1HB LEU 43 14.156 -8.101 -3.037 904 HB3 LEU 43 2HB LEU 43 15.456 -7.557 -1.996 905 HG LEU 43 HG LEU 43 14.873 -6.562 -4.779 906 HD11 LEU 43 1HD1 LEU 43 14.646 -5.194 -2.111 907 HD12 LEU 43 2HD1 LEU 43 13.299 -5.794 -3.079 908 HD13 LEU 43 3HD1 LEU 43 14.307 -4.481 -3.690 909 HD21 LEU 43 1HD2 LEU 43 16.637 -4.938 -4.373 910 HD22 LEU 43 2HD2 LEU 43 17.261 -6.588 -4.338 911 HD23 LEU 43 3HD2 LEU 43 16.998 -5.711 -2.829 912 H ASN 44 H ASN 44 15.227 -10.958 -4.604 913 HA ASN 44 HA ASN 44 14.832 -13.103 -3.998 914 HB2 ASN 44 1HB ASN 44 17.105 -12.831 -2.853 915 HB3 ASN 44 2HB ASN 44 16.204 -12.584 -1.366 916 HD21 ASN 44 1HD2 ASN 44 15.270 -14.324 -0.356 917 HD22 ASN 44 2HD2 ASN 44 15.488 -15.958 -0.875 918 H ILE 45 H ILE 45 13.266 -10.659 -3.104 919 HA ILE 45 HA ILE 45 11.725 -11.761 -0.897 920 HB ILE 45 HB ILE 45 11.164 -9.283 -2.529 921 HG12 ILE 45 1HG1 ILE 45 12.510 -9.509 0.169 922 HG13 ILE 45 2HG1 ILE 45 13.355 -9.207 -1.344 923 HG21 ILE 45 1HG2 ILE 45 9.211 -10.179 -1.363 924 HG22 ILE 45 2HG2 ILE 45 9.726 -8.649 -0.653 925 HG23 ILE 45 3HG2 ILE 45 10.107 -10.170 0.155 926 HD11 ILE 45 1HD1 ILE 45 12.221 -7.098 -1.601 927 HD12 ILE 45 2HD1 ILE 45 12.988 -7.173 -0.014 928 HD13 ILE 45 3HD1 ILE 45 11.249 -7.415 -0.164 929 H MET 46 H MET 46 11.206 -13.688 -2.088 930 HA MET 46 HA MET 46 9.548 -13.398 -4.444 931 HB2 MET 46 1HB MET 46 10.490 -15.869 -2.991 932 HB3 MET 46 2HB MET 46 9.642 -15.859 -4.530 933 HG2 MET 46 1HG MET 46 12.171 -14.318 -4.264 934 HG3 MET 46 2HG MET 46 12.247 -16.069 -4.412 935 HE1 MET 46 1HE MET 46 9.545 -13.676 -6.323 936 HE2 MET 46 2HE MET 46 10.623 -13.180 -7.626 937 HE3 MET 46 3HE MET 46 11.007 -12.762 -5.957 938 H ASP 47 H ASP 47 9.116 -13.396 -1.186 939 HA ASP 47 HA ASP 47 6.779 -14.823 -0.677 940 HB2 ASP 47 1HB ASP 47 7.702 -12.177 0.458 941 HB3 ASP 47 2HB ASP 47 6.459 -13.196 1.170 942 HA PRO 48 HA PRO 48 4.407 -12.776 -3.848 943 HB2 PRO 48 1HB PRO 48 2.214 -14.351 -2.625 944 HB3 PRO 48 2HB PRO 48 2.759 -14.282 -4.301 945 HG2 PRO 48 1HG PRO 48 3.320 -16.388 -2.794 946 HG3 PRO 48 2HG PRO 48 4.509 -15.743 -3.939 947 HD2 PRO 48 1HD PRO 48 4.375 -15.428 -0.971 948 HD3 PRO 48 2HD PRO 48 5.783 -15.688 -2.018 949 H GLN 49 H GLN 49 2.748 -13.177 -0.698 950 HA GLN 49 HA GLN 49 1.047 -10.937 -1.143 951 HB2 GLN 49 1HB GLN 49 1.730 -12.559 1.292 952 HB3 GLN 49 2HB GLN 49 0.691 -11.146 1.391 953 HG2 GLN 49 1HG GLN 49 -0.923 -12.129 -0.042 954 HG3 GLN 49 2HG GLN 49 0.155 -13.462 -0.443 955 HE21 GLN 49 1HE2 GLN 49 -1.957 -12.100 1.951 956 HE22 GLN 49 2HE2 GLN 49 -2.058 -13.511 2.946 957 H HIS 50 H HIS 50 4.127 -11.421 0.402 958 HA HIS 50 HA HIS 50 4.245 -8.884 1.683 959 HB2 HIS 50 1HB HIS 50 6.445 -10.806 0.911 960 HB3 HIS 50 2HB HIS 50 6.668 -9.404 1.947 961 HD1 HIS 50 HD1 HIS 50 7.425 -11.088 3.882 962 HD2 HIS 50 HD2 HIS 50 3.476 -11.465 2.627 963 HE1 HIS 50 HE1 HIS 50 6.297 -12.522 5.600 964 HE2 HIS 50 HE2 HIS 50 3.940 -12.815 4.780 965 H ARG 51 H ARG 51 5.379 -10.174 -1.382 966 HA ARG 51 HA ARG 51 6.512 -7.889 -2.504 967 HB2 ARG 51 1HB ARG 51 4.935 -10.165 -3.704 968 HB3 ARG 51 2HB ARG 51 5.626 -8.888 -4.693 969 HG2 ARG 51 1HG ARG 51 7.778 -9.574 -4.318 970 HG3 ARG 51 2HG ARG 51 7.373 -10.364 -2.794 971 HD2 ARG 51 1HD ARG 51 7.898 -11.983 -4.545 972 HD3 ARG 51 2HD ARG 51 6.240 -12.137 -3.985 973 HE ARG 51 HE ARG 51 6.250 -10.476 -6.235 974 HH11 ARG 51 1HH1 ARG 51 6.860 -13.805 -5.355 975 HH12 ARG 51 2HH1 ARG 51 6.444 -14.437 -6.915 976 HH21 ARG 51 1HH2 ARG 51 5.664 -11.302 -8.311 977 HH22 ARG 51 2HH2 ARG 51 5.748 -13.018 -8.587 978 H ALA 52 H ALA 52 3.190 -9.069 -2.703 979 HA ALA 52 HA ALA 52 2.035 -7.085 -4.193 980 HB1 ALA 52 1HB ALA 52 -0.068 -7.783 -3.192 981 HB2 ALA 52 2HB ALA 52 0.804 -8.578 -1.886 982 HB3 ALA 52 3HB ALA 52 0.951 -9.178 -3.536 983 H LYS 53 H LYS 53 2.524 -7.137 -0.676 984 HA LYS 53 HA LYS 53 1.287 -4.643 -0.183 985 HB2 LYS 53 1HB LYS 53 3.478 -5.942 1.436 986 HB3 LYS 53 2HB LYS 53 2.350 -4.714 1.990 987 HG2 LYS 53 1HG LYS 53 0.534 -6.433 1.351 988 HG3 LYS 53 2HG LYS 53 1.857 -7.598 1.400 989 HD2 LYS 53 1HD LYS 53 1.024 -7.726 3.551 990 HD3 LYS 53 2HD LYS 53 2.322 -6.548 3.740 991 HE2 LYS 53 1HE LYS 53 0.759 -4.725 3.643 992 HE3 LYS 53 2HE LYS 53 -0.563 -5.833 3.262 993 HZ1 LYS 53 1HZ LYS 53 -0.657 -5.250 5.567 994 HZ2 LYS 53 2HZ LYS 53 0.956 -5.689 5.810 995 HZ3 LYS 53 3HZ LYS 53 -0.200 -6.873 5.452 996 H LEU 54 H LEU 54 4.709 -5.528 -0.571 997 HA LEU 54 HA LEU 54 5.832 -3.030 -0.172 998 HB2 LEU 54 1HB LEU 54 6.718 -5.302 -1.936 999 HB3 LEU 54 2HB LEU 54 7.703 -3.887 -1.625 1000 HG LEU 54 HG LEU 54 6.702 -5.739 0.534 1001 HD11 LEU 54 1HD1 LEU 54 9.015 -6.578 0.606 1002 HD12 LEU 54 2HD1 LEU 54 9.373 -5.652 -0.853 1003 HD13 LEU 54 3HD1 LEU 54 8.195 -6.964 -0.906 1004 HD21 LEU 54 1HD2 LEU 54 8.426 -4.630 1.883 1005 HD22 LEU 54 2HD2 LEU 54 7.186 -3.507 1.325 1006 HD23 LEU 54 3HD2 LEU 54 8.762 -3.543 0.535 1007 H LEU 55 H LEU 55 4.651 -4.442 -3.221 1008 HA LEU 55 HA LEU 55 5.460 -2.227 -4.799 1009 HB2 LEU 55 1HB LEU 55 3.600 -4.518 -5.268 1010 HB3 LEU 55 2HB LEU 55 3.694 -3.203 -6.422 1011 HG LEU 55 HG LEU 55 5.152 -4.775 -7.296 1012 HD11 LEU 55 1HD1 LEU 55 7.338 -3.836 -7.117 1013 HD12 LEU 55 2HD1 LEU 55 6.940 -3.083 -5.574 1014 HD13 LEU 55 3HD1 LEU 55 6.153 -2.530 -7.055 1015 HD21 LEU 55 1HD2 LEU 55 5.151 -6.298 -5.379 1016 HD22 LEU 55 2HD2 LEU 55 6.279 -5.230 -4.542 1017 HD23 LEU 55 3HD2 LEU 55 6.774 -6.048 -6.023 1018 H THR 56 H THR 56 2.463 -3.007 -3.136 1019 HA THR 56 HA THR 56 0.919 -0.909 -4.234 1020 HB THR 56 HB THR 56 0.666 -2.174 -1.504 1021 HG1 THR 56 HG1 THR 56 0.470 -3.817 -2.933 1022 HG21 THR 56 1HG2 THR 56 -0.627 -0.105 -1.755 1023 HG22 THR 56 2HG2 THR 56 -1.684 -1.517 -1.675 1024 HG23 THR 56 3HG2 THR 56 -1.358 -0.747 -3.226 1025 H ALA 57 H ALA 57 3.001 -1.174 -1.412 1026 HA ALA 57 HA ALA 57 2.574 1.392 -0.380 1027 HB1 ALA 57 1HB ALA 57 4.709 1.058 0.782 1028 HB2 ALA 57 2HB ALA 57 5.004 -0.376 -0.202 1029 HB3 ALA 57 3HB ALA 57 3.643 -0.337 0.915 1030 H ALA 58 H ALA 58 5.021 0.151 -2.637 1031 HA ALA 58 HA ALA 58 6.376 2.544 -3.102 1032 HB1 ALA 58 1HB ALA 58 7.176 0.349 -3.849 1033 HB2 ALA 58 2HB ALA 58 7.157 1.526 -5.165 1034 HB3 ALA 58 3HB ALA 58 5.890 0.300 -5.057 1035 H GLU 59 H GLU 59 3.543 1.175 -4.711 1036 HA GLU 59 HA GLU 59 3.189 3.112 -6.683 1037 HB2 GLU 59 1HB GLU 59 1.331 1.236 -5.269 1038 HB3 GLU 59 2HB GLU 59 0.701 2.399 -6.424 1039 HG2 GLU 59 1HG GLU 59 2.768 0.289 -6.976 1040 HG3 GLU 59 2HG GLU 59 1.076 0.249 -7.467 1041 H LEU 60 H LEU 60 1.775 2.965 -3.410 1042 HA LEU 60 HA LEU 60 0.425 5.445 -3.779 1043 HB2 LEU 60 1HB LEU 60 0.714 3.509 -1.575 1044 HB3 LEU 60 2HB LEU 60 0.366 5.163 -1.108 1045 HG LEU 60 HG LEU 60 -1.652 5.145 -2.492 1046 HD11 LEU 60 1HD1 LEU 60 -0.925 3.608 -4.225 1047 HD12 LEU 60 2HD1 LEU 60 -2.452 3.083 -3.510 1048 HD13 LEU 60 3HD1 LEU 60 -0.947 2.277 -3.065 1049 HD21 LEU 60 1HD2 LEU 60 -1.976 4.548 -0.235 1050 HD22 LEU 60 2HD2 LEU 60 -1.347 2.927 -0.504 1051 HD23 LEU 60 3HD2 LEU 60 -2.903 3.392 -1.196 1052 H LEU 61 H LEU 61 3.588 4.591 -2.479 1053 HA LEU 61 HA LEU 61 4.093 7.192 -1.406 1054 HB2 LEU 61 1HB LEU 61 6.018 5.098 -2.406 1055 HB3 LEU 61 2HB LEU 61 6.485 6.552 -1.550 1056 HG LEU 61 HG LEU 61 4.899 4.238 -0.456 1057 HD11 LEU 61 1HD1 LEU 61 7.416 4.106 -0.758 1058 HD12 LEU 61 2HD1 LEU 61 6.785 3.784 0.855 1059 HD13 LEU 61 3HD1 LEU 61 7.520 5.346 0.490 1060 HD21 LEU 61 1HD2 LEU 61 4.939 5.463 1.676 1061 HD22 LEU 61 2HD2 LEU 61 4.002 6.307 0.444 1062 HD23 LEU 61 3HD2 LEU 61 5.629 6.859 0.847 1063 H LEU 62 H LEU 62 4.207 5.764 -4.528 1064 HA LEU 62 HA LEU 62 5.794 7.743 -5.813 1065 HB2 LEU 62 1HB LEU 62 5.521 5.448 -6.650 1066 HB3 LEU 62 2HB LEU 62 3.820 5.751 -6.928 1067 HG LEU 62 HG LEU 62 4.478 7.508 -8.587 1068 HD11 LEU 62 1HD1 LEU 62 6.758 7.476 -9.446 1069 HD12 LEU 62 2HD1 LEU 62 7.218 6.314 -8.201 1070 HD13 LEU 62 3HD1 LEU 62 6.725 7.945 -7.746 1071 HD21 LEU 62 1HD2 LEU 62 5.048 5.900 -10.333 1072 HD22 LEU 62 2HD2 LEU 62 3.796 5.266 -9.264 1073 HD23 LEU 62 3HD2 LEU 62 5.460 4.705 -9.103 1074 H ASP 63 H ASP 63 2.355 7.260 -5.270 1075 HA ASP 63 HA ASP 63 1.760 9.616 -6.906 1076 HB2 ASP 63 1HB ASP 63 0.528 7.154 -6.740 1077 HB3 ASP 63 2HB ASP 63 -0.533 8.203 -5.806 1078 H TYR 64 H TYR 64 1.381 8.380 -3.636 1079 HA TYR 64 HA TYR 64 0.123 10.892 -2.797 1080 HB2 TYR 64 1HB TYR 64 0.441 8.238 -1.390 1081 HB3 TYR 64 2HB TYR 64 -0.238 9.669 -0.627 1082 HD1 TYR 64 HD1 TYR 64 -0.755 7.130 -3.234 1083 HD2 TYR 64 HD2 TYR 64 -2.461 10.369 -1.085 1084 HE1 TYR 64 HE1 TYR 64 -2.963 6.534 -4.109 1085 HE2 TYR 64 HE2 TYR 64 -4.683 9.791 -1.950 1086 HH TYR 64 HH TYR 64 -5.679 8.594 -3.819 1087 H ASP 65 H ASP 65 2.594 11.406 -3.458 1088 HA ASP 65 HA ASP 65 4.480 10.917 -1.339 1089 HB2 ASP 65 1HB ASP 65 5.139 11.037 -3.726 1090 HB3 ASP 65 2HB ASP 65 4.708 12.743 -3.735 1091 H THR 66 H THR 66 2.365 12.059 -0.224 1092 HA THR 66 HA THR 66 1.550 13.758 1.028 1093 HB THR 66 HB THR 66 3.273 14.958 2.390 1094 HG1 THR 66 HG1 THR 66 4.871 14.250 0.385 1095 HG21 THR 66 1HG2 THR 66 3.636 11.976 2.152 1096 HG22 THR 66 2HG2 THR 66 2.354 12.783 3.055 1097 HG23 THR 66 3HG2 THR 66 4.035 12.962 3.558 1098 H GLY 67 H GLY 67 1.532 14.478 -1.667 1099 HA2 GLY 67 1HA GLY 67 2.705 17.118 -1.924 1100 HA3 GLY 67 2HA GLY 67 1.765 16.270 -3.141 1101 H CYS 68 H CYS 68 0.769 16.866 0.160 1102 HA CYS 68 HA CYS 68 -0.991 17.940 1.081 1103 HB2 CYS 68 1HB CYS 68 -0.536 19.789 -1.253 1104 HB3 CYS 68 2HB CYS 68 -1.652 20.125 0.061 1105 H GLU 69 H GLU 69 -3.286 18.714 0.686 1106 HA GLU 69 HA GLU 69 -4.670 16.707 -0.794 1107 HB2 GLU 69 1HB GLU 69 -5.880 19.209 0.383 1108 HB3 GLU 69 2HB GLU 69 -6.679 17.678 0.063 1109 HG2 GLU 69 1HG GLU 69 -6.404 17.416 2.278 1110 HG3 GLU 69 2HG GLU 69 -4.815 16.835 1.781 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 -0.775 10.234 -9.491 2 H2 GLY 1 2H GLY 1 -2.201 10.600 -10.324 3 H3 GLY 1 3H GLY 1 -2.019 9.092 -9.589 4 HA2 GLY 1 2HA GLY 1 -1.919 10.169 -7.406 5 HA3 GLY 1 1HA GLY 1 -2.212 11.704 -8.207 6 HA PRO 2 HA PRO 2 -6.252 8.975 -8.301 7 HB2 PRO 2 1HB PRO 2 -6.003 7.608 -5.726 8 HB3 PRO 2 2HB PRO 2 -6.432 6.946 -7.305 9 HG2 PRO 2 1HG PRO 2 -4.077 6.404 -6.117 10 HG3 PRO 2 2HG PRO 2 -4.247 6.533 -7.877 11 HD2 PRO 2 1HD PRO 2 -3.174 8.535 -5.925 12 HD3 PRO 2 2HD PRO 2 -2.573 8.100 -7.540 13 H LYS 3 H LYS 3 -7.590 10.593 -7.863 14 HA LYS 3 HA LYS 3 -7.499 11.945 -5.298 15 HB2 LYS 3 1HB LYS 3 -9.288 12.397 -7.688 16 HB3 LYS 3 2HB LYS 3 -9.170 13.443 -6.283 17 HG2 LYS 3 1HG LYS 3 -6.912 12.858 -8.184 18 HG3 LYS 3 2HG LYS 3 -7.936 14.291 -8.241 19 HD2 LYS 3 1HD LYS 3 -6.164 13.482 -5.933 20 HD3 LYS 3 2HD LYS 3 -5.796 14.735 -7.118 21 HE2 LYS 3 1HE LYS 3 -7.844 15.937 -6.403 22 HE3 LYS 3 2HE LYS 3 -8.079 14.720 -5.152 23 HZ1 LYS 3 1HZ LYS 3 -6.993 16.665 -4.262 24 HZ2 LYS 3 2HZ LYS 3 -5.744 16.531 -5.393 25 HZ3 LYS 3 3HZ LYS 3 -5.942 15.344 -4.207 26 H THR 4 H THR 4 -9.056 9.313 -6.673 27 HA THR 4 HA THR 4 -11.167 9.425 -4.653 28 HB THR 4 HB THR 4 -12.728 8.388 -6.308 29 HG1 THR 4 HG1 THR 4 -11.758 9.213 -8.571 30 HG21 THR 4 1HG2 THR 4 -13.221 10.495 -7.486 31 HG22 THR 4 2HG2 THR 4 -11.659 11.132 -6.967 32 HG23 THR 4 3HG2 THR 4 -12.898 10.746 -5.772 33 H LEU 5 H LEU 5 -12.307 7.274 -4.488 34 HA LEU 5 HA LEU 5 -10.481 5.312 -3.701 35 HB2 LEU 5 1HB LEU 5 -12.800 5.657 -2.843 36 HB3 LEU 5 2HB LEU 5 -13.414 4.975 -4.331 37 HG LEU 5 HG LEU 5 -13.265 3.515 -2.191 38 HD11 LEU 5 1HD1 LEU 5 -12.851 1.511 -3.557 39 HD12 LEU 5 2HD1 LEU 5 -12.298 2.549 -4.873 40 HD13 LEU 5 3HD1 LEU 5 -13.971 2.641 -4.318 41 HD21 LEU 5 1HD2 LEU 5 -10.936 4.026 -1.695 42 HD22 LEU 5 2HD2 LEU 5 -10.447 3.299 -3.227 43 HD23 LEU 5 3HD2 LEU 5 -11.172 2.300 -1.967 44 H HIS 6 H HIS 6 -12.606 5.477 -6.532 45 HA HIS 6 HA HIS 6 -12.035 3.020 -7.666 46 HB2 HIS 6 1HB HIS 6 -13.823 4.516 -8.443 47 HB3 HIS 6 2HB HIS 6 -12.622 5.626 -9.080 48 HD1 HIS 6 HD1 HIS 6 -14.641 2.734 -9.998 49 HD2 HIS 6 HD2 HIS 6 -11.110 4.488 -11.304 50 HE1 HIS 6 HE1 HIS 6 -14.193 1.748 -12.268 51 HE2 HIS 6 HE2 HIS 6 -11.960 2.704 -12.961 52 H GLU 7 H GLU 7 -10.332 6.087 -8.046 53 HA GLU 7 HA GLU 7 -8.563 5.148 -10.053 54 HB2 GLU 7 1HB GLU 7 -8.313 7.494 -8.172 55 HB3 GLU 7 2HB GLU 7 -7.307 7.222 -9.589 56 HG2 GLU 7 1HG GLU 7 -10.281 7.668 -9.589 57 HG3 GLU 7 2HG GLU 7 -9.052 8.849 -10.030 58 H LEU 8 H LEU 8 -8.517 5.171 -6.576 59 HA LEU 8 HA LEU 8 -5.772 4.599 -6.219 60 HB2 LEU 8 1HB LEU 8 -7.426 5.455 -4.510 61 HB3 LEU 8 2HB LEU 8 -8.043 3.822 -4.396 62 HG LEU 8 HG LEU 8 -6.394 4.605 -2.617 63 HD11 LEU 8 1HD1 LEU 8 -5.905 2.067 -4.147 64 HD12 LEU 8 2HD1 LEU 8 -6.995 2.296 -2.780 65 HD13 LEU 8 3HD1 LEU 8 -5.250 2.409 -2.547 66 HD21 LEU 8 1HD2 LEU 8 -4.816 5.655 -4.186 67 HD22 LEU 8 2HD2 LEU 8 -4.408 4.054 -4.806 68 HD23 LEU 8 3HD2 LEU 8 -4.052 4.469 -3.129 69 H LEU 9 H LEU 9 -8.654 2.570 -6.490 70 HA LEU 9 HA LEU 9 -7.372 0.096 -6.144 71 HB2 LEU 9 1HB LEU 9 -9.917 0.957 -7.450 72 HB3 LEU 9 2HB LEU 9 -9.354 -0.682 -7.675 73 HG LEU 9 HG LEU 9 -11.019 -0.467 -5.866 74 HD11 LEU 9 1HD1 LEU 9 -9.427 -2.296 -5.833 75 HD12 LEU 9 2HD1 LEU 9 -9.795 -1.754 -4.194 76 HD13 LEU 9 3HD1 LEU 9 -8.272 -1.292 -4.957 77 HD21 LEU 9 1HD2 LEU 9 -8.882 1.099 -4.444 78 HD22 LEU 9 2HD2 LEU 9 -10.431 0.584 -3.773 79 HD23 LEU 9 3HD2 LEU 9 -10.384 1.762 -5.085 80 H GLU 10 H GLU 10 -7.936 2.053 -9.040 81 HA GLU 10 HA GLU 10 -6.815 0.200 -10.861 82 HB2 GLU 10 1HB GLU 10 -7.031 3.207 -11.052 83 HB3 GLU 10 2HB GLU 10 -6.575 2.151 -12.382 84 HG2 GLU 10 1HG GLU 10 -8.786 1.016 -12.115 85 HG3 GLU 10 2HG GLU 10 -9.220 2.279 -10.964 86 H ARG 11 H ARG 11 -5.461 2.570 -8.723 87 HA ARG 11 HA ARG 11 -2.907 2.829 -9.886 88 HB2 ARG 11 1HB ARG 11 -4.253 4.002 -7.801 89 HB3 ARG 11 2HB ARG 11 -3.047 3.041 -6.959 90 HG2 ARG 11 1HG ARG 11 -2.433 5.039 -9.120 91 HG3 ARG 11 2HG ARG 11 -2.355 5.366 -7.391 92 HD2 ARG 11 1HD ARG 11 -0.622 3.721 -7.113 93 HD3 ARG 11 2HD ARG 11 -0.755 3.242 -8.805 94 HE ARG 11 HE ARG 11 -0.048 6.020 -8.154 95 HH11 ARG 11 1HH1 ARG 11 0.973 2.886 -9.378 96 HH12 ARG 11 2HH1 ARG 11 2.346 3.541 -10.212 97 HH21 ARG 11 1HH2 ARG 11 1.715 6.861 -9.247 98 HH22 ARG 11 2HH2 ARG 11 2.756 5.814 -10.166 99 H ILE 12 H ILE 12 -4.186 0.722 -7.347 100 HA ILE 12 HA ILE 12 -1.589 -0.542 -7.046 101 HB ILE 12 HB ILE 12 -2.576 -1.742 -5.168 102 HG12 ILE 12 1HG1 ILE 12 -5.114 -0.221 -5.816 103 HG13 ILE 12 2HG1 ILE 12 -4.883 -1.947 -6.076 104 HG21 ILE 12 1HG2 ILE 12 -1.600 0.426 -4.789 105 HG22 ILE 12 2HG2 ILE 12 -3.030 0.248 -3.768 106 HG23 ILE 12 3HG2 ILE 12 -3.112 1.220 -5.237 107 HD11 ILE 12 1HD1 ILE 12 -6.132 -1.525 -4.041 108 HD12 ILE 12 2HD1 ILE 12 -4.810 -0.534 -3.422 109 HD13 ILE 12 3HD1 ILE 12 -4.571 -2.265 -3.675 110 H GLY 13 H GLY 13 -4.427 -1.063 -8.820 111 HA2 GLY 13 1HA GLY 13 -4.504 -2.630 -10.579 112 HA3 GLY 13 2HA GLY 13 -3.292 -3.589 -9.745 113 H LEU 14 H LEU 14 -6.072 -2.385 -8.060 114 HA LEU 14 HA LEU 14 -7.231 -5.088 -8.114 115 HB2 LEU 14 1HB LEU 14 -6.969 -3.144 -5.848 116 HB3 LEU 14 2HB LEU 14 -8.255 -4.332 -5.855 117 HG LEU 14 HG LEU 14 -6.536 -5.247 -4.537 118 HD11 LEU 14 1HD1 LEU 14 -5.898 -7.242 -5.717 119 HD12 LEU 14 2HD1 LEU 14 -6.237 -6.469 -7.263 120 HD13 LEU 14 3HD1 LEU 14 -7.553 -6.798 -6.135 121 HD21 LEU 14 1HD2 LEU 14 -4.227 -5.520 -5.322 122 HD22 LEU 14 2HD2 LEU 14 -4.697 -3.831 -5.140 123 HD23 LEU 14 3HD2 LEU 14 -4.621 -4.556 -6.747 124 H GLU 15 H GLU 15 -7.684 -2.789 -9.842 125 HA GLU 15 HA GLU 15 -10.103 -1.502 -9.278 126 HB2 GLU 15 1HB GLU 15 -10.219 -1.114 -11.726 127 HB3 GLU 15 2HB GLU 15 -8.664 -0.694 -11.022 128 HG2 GLU 15 1HG GLU 15 -7.753 -2.833 -11.802 129 HG3 GLU 15 2HG GLU 15 -9.304 -3.202 -12.550 130 H GLU 16 H GLU 16 -9.426 -4.722 -10.158 131 HA GLU 16 HA GLU 16 -11.864 -5.533 -11.271 132 HB2 GLU 16 1HB GLU 16 -11.227 -7.794 -10.495 133 HB3 GLU 16 2HB GLU 16 -9.907 -6.972 -11.312 134 HG2 GLU 16 1HG GLU 16 -8.891 -6.431 -9.176 135 HG3 GLU 16 2HG GLU 16 -10.242 -7.177 -8.328 136 H HIS 17 H HIS 17 -11.084 -4.514 -8.104 137 HA HIS 17 HA HIS 17 -13.573 -5.706 -7.073 138 HB2 HIS 17 1HB HIS 17 -10.945 -5.239 -5.684 139 HB3 HIS 17 2HB HIS 17 -12.437 -5.527 -4.802 140 HD1 HIS 17 HD1 HIS 17 -13.714 -7.861 -5.849 141 HD2 HIS 17 HD2 HIS 17 -9.574 -7.517 -6.014 142 HE1 HIS 17 HE1 HIS 17 -12.857 -10.192 -6.169 143 HE2 HIS 17 HE2 HIS 17 -10.394 -9.908 -6.572 144 H THR 18 H THR 18 -12.621 -2.914 -8.217 145 HA THR 18 HA THR 18 -12.885 -1.004 -6.224 146 HB THR 18 HB THR 18 -14.006 -0.682 -8.995 147 HG1 THR 18 HG1 THR 18 -12.025 -1.039 -9.632 148 HG21 THR 18 1HG2 THR 18 -13.335 1.661 -8.663 149 HG22 THR 18 2HG2 THR 18 -12.804 1.255 -7.028 150 HG23 THR 18 3HG2 THR 18 -14.511 1.126 -7.460 151 H SER 19 H SER 19 -15.402 -2.532 -8.196 152 HA SER 19 HA SER 19 -17.578 -1.133 -7.118 153 HB2 SER 19 1HB SER 19 -17.536 -3.929 -8.263 154 HB3 SER 19 2HB SER 19 -18.953 -2.900 -8.080 155 HG SER 19 HG SER 19 -18.113 -1.486 -9.587 156 H THR 20 H THR 20 -15.956 -4.099 -6.104 157 HA THR 20 HA THR 20 -17.742 -4.948 -4.148 158 HB THR 20 HB THR 20 -14.727 -5.140 -4.054 159 HG1 THR 20 HG1 THR 20 -16.522 -7.105 -5.054 160 HG21 THR 20 1HG2 THR 20 -15.774 -5.698 -1.931 161 HG22 THR 20 2HG2 THR 20 -15.151 -7.157 -2.703 162 HG23 THR 20 3HG2 THR 20 -16.880 -6.806 -2.745 163 H LEU 21 H LEU 21 -14.897 -2.831 -3.827 164 HA LEU 21 HA LEU 21 -15.307 -2.159 -1.131 165 HB2 LEU 21 1HB LEU 21 -13.888 -0.811 -3.407 166 HB3 LEU 21 2HB LEU 21 -14.028 -0.010 -1.863 167 HG LEU 21 HG LEU 21 -11.919 -0.980 -1.795 168 HD11 LEU 21 1HD1 LEU 21 -13.673 -3.061 -0.520 169 HD12 LEU 21 2HD1 LEU 21 -13.271 -1.498 0.194 170 HD13 LEU 21 3HD1 LEU 21 -11.999 -2.684 -0.109 171 HD21 LEU 21 1HD2 LEU 21 -12.113 -2.341 -3.802 172 HD22 LEU 21 2HD2 LEU 21 -13.081 -3.519 -2.913 173 HD23 LEU 21 3HD2 LEU 21 -11.394 -3.251 -2.473 174 H LEU 22 H LEU 22 -16.198 -0.478 -4.102 175 HA LEU 22 HA LEU 22 -17.407 1.774 -3.084 176 HB2 LEU 22 1HB LEU 22 -16.865 1.183 -5.475 177 HB3 LEU 22 2HB LEU 22 -18.340 0.239 -5.497 178 HG LEU 22 HG LEU 22 -19.587 2.350 -4.939 179 HD11 LEU 22 1HD1 LEU 22 -18.452 4.467 -5.399 180 HD12 LEU 22 2HD1 LEU 22 -16.930 3.602 -5.615 181 HD13 LEU 22 3HD1 LEU 22 -17.717 3.621 -4.038 182 HD21 LEU 22 1HD2 LEU 22 -19.521 3.170 -7.233 183 HD22 LEU 22 2HD2 LEU 22 -19.507 1.409 -7.190 184 HD23 LEU 22 3HD2 LEU 22 -18.017 2.295 -7.511 185 H LEU 23 H LEU 23 -18.928 -1.356 -3.801 186 HA LEU 23 HA LEU 23 -21.555 -0.499 -3.151 187 HB2 LEU 23 1HB LEU 23 -20.405 -3.272 -3.367 188 HB3 LEU 23 2HB LEU 23 -22.112 -2.898 -3.263 189 HG LEU 23 HG LEU 23 -20.258 -2.136 -5.516 190 HD11 LEU 23 1HD1 LEU 23 -21.625 -3.677 -6.825 191 HD12 LEU 23 2HD1 LEU 23 -22.533 -4.104 -5.376 192 HD13 LEU 23 3HD1 LEU 23 -20.817 -4.495 -5.490 193 HD21 LEU 23 1HD2 LEU 23 -21.929 -0.411 -5.172 194 HD22 LEU 23 2HD2 LEU 23 -23.209 -1.623 -5.164 195 HD23 LEU 23 3HD2 LEU 23 -22.286 -1.325 -6.636 196 H ASN 24 H ASN 24 -18.928 -1.798 -1.300 197 HA ASN 24 HA ASN 24 -20.710 -2.444 0.912 198 HB2 ASN 24 1HB ASN 24 -17.845 -3.070 0.313 199 HB3 ASN 24 2HB ASN 24 -18.466 -3.232 1.953 200 HD21 ASN 24 1HD2 ASN 24 -18.521 -4.473 -1.267 201 HD22 ASN 24 2HD2 ASN 24 -19.431 -5.907 -0.927 202 H GLY 25 H GLY 25 -19.600 0.299 -0.138 203 HA2 GLY 25 1HA GLY 25 -20.176 2.194 1.227 204 HA3 GLY 25 2HA GLY 25 -19.532 1.336 2.615 205 H TYR 26 H TYR 26 -17.332 0.645 0.415 206 HA TYR 26 HA TYR 26 -15.578 2.769 1.318 207 HB2 TYR 26 1HB TYR 26 -15.072 0.306 -0.344 208 HB3 TYR 26 2HB TYR 26 -13.820 1.434 0.164 209 HD1 TYR 26 HD1 TYR 26 -15.702 -1.468 1.025 210 HD2 TYR 26 HD2 TYR 26 -13.508 1.778 2.673 211 HE1 TYR 26 HE1 TYR 26 -15.441 -2.720 3.124 212 HE2 TYR 26 HE2 TYR 26 -13.235 0.538 4.774 213 HH TYR 26 HH TYR 26 -14.521 -1.323 5.978 214 H GLN 27 H GLN 27 -16.607 4.476 0.187 215 HA GLN 27 HA GLN 27 -16.428 4.342 -2.735 216 HB2 GLN 27 1HB GLN 27 -17.922 6.341 -1.047 217 HB3 GLN 27 2HB GLN 27 -18.048 6.122 -2.786 218 HG2 GLN 27 1HG GLN 27 -18.861 3.790 -2.313 219 HG3 GLN 27 2HG GLN 27 -18.963 4.261 -0.621 220 HE21 GLN 27 1HE2 GLN 27 -21.053 3.425 -2.448 221 HE22 GLN 27 2HE2 GLN 27 -22.203 4.713 -2.491 222 H THR 28 H THR 28 -15.074 5.818 0.021 223 HA THR 28 HA THR 28 -13.567 7.639 -1.727 224 HB THR 28 HB THR 28 -13.403 9.239 0.094 225 HG1 THR 28 HG1 THR 28 -15.129 7.473 1.537 226 HG21 THR 28 1HG2 THR 28 -16.247 8.377 -0.430 227 HG22 THR 28 2HG2 THR 28 -15.291 9.493 -1.409 228 HG23 THR 28 3HG2 THR 28 -15.765 9.941 0.229 229 H LEU 29 H LEU 29 -11.447 8.282 -0.735 230 HA LEU 29 HA LEU 29 -9.949 5.988 0.011 231 HB2 LEU 29 1HB LEU 29 -9.214 8.913 0.226 232 HB3 LEU 29 2HB LEU 29 -8.094 7.564 0.281 233 HG LEU 29 HG LEU 29 -9.795 8.294 -2.104 234 HD11 LEU 29 1HD1 LEU 29 -6.851 8.723 -1.619 235 HD12 LEU 29 2HD1 LEU 29 -8.087 9.981 -1.669 236 HD13 LEU 29 3HD1 LEU 29 -7.714 9.053 -3.123 237 HD21 LEU 29 1HD2 LEU 29 -7.555 6.302 -1.816 238 HD22 LEU 29 2HD2 LEU 29 -8.444 6.674 -3.294 239 HD23 LEU 29 3HD2 LEU 29 -9.270 5.911 -1.937 240 H GLU 30 H GLU 30 -11.627 8.481 1.702 241 HA GLU 30 HA GLU 30 -10.496 8.069 4.267 242 HB2 GLU 30 1HB GLU 30 -13.151 9.235 3.449 243 HB3 GLU 30 2HB GLU 30 -12.501 9.283 5.083 244 HG2 GLU 30 1HG GLU 30 -10.529 10.512 4.174 245 HG3 GLU 30 2HG GLU 30 -11.371 10.598 2.629 246 H ASP 31 H ASP 31 -12.976 6.462 2.443 247 HA ASP 31 HA ASP 31 -13.900 4.917 4.702 248 HB2 ASP 31 1HB ASP 31 -14.316 4.481 1.734 249 HB3 ASP 31 2HB ASP 31 -15.105 3.569 3.012 250 H PHE 32 H PHE 32 -11.877 4.426 1.859 251 HA PHE 32 HA PHE 32 -11.410 1.686 2.251 252 HB2 PHE 32 1HB PHE 32 -11.083 2.952 0.122 253 HB3 PHE 32 2HB PHE 32 -9.618 3.641 0.810 254 HD1 PHE 32 HD1 PHE 32 -11.164 0.656 -0.608 255 HD2 PHE 32 HD2 PHE 32 -7.656 2.260 1.172 256 HE1 PHE 32 HE1 PHE 32 -9.878 -1.291 -1.392 257 HE2 PHE 32 HE2 PHE 32 -6.368 0.326 0.392 258 HZ PHE 32 HZ PHE 32 -7.473 -1.452 -0.895 259 H LYS 33 H LYS 33 -9.825 4.502 3.601 260 HA LYS 33 HA LYS 33 -7.449 3.218 4.409 261 HB2 LYS 33 1HB LYS 33 -7.215 5.095 6.013 262 HB3 LYS 33 2HB LYS 33 -7.536 5.611 4.365 263 HG2 LYS 33 1HG LYS 33 -9.828 6.065 4.891 264 HG3 LYS 33 2HG LYS 33 -9.628 5.397 6.510 265 HD2 LYS 33 1HD LYS 33 -9.606 7.846 6.529 266 HD3 LYS 33 2HD LYS 33 -8.073 7.175 7.077 267 HE2 LYS 33 1HE LYS 33 -7.078 7.615 4.904 268 HE3 LYS 33 2HE LYS 33 -8.617 8.215 4.298 269 HZ1 LYS 33 1HZ LYS 33 -7.094 9.419 6.546 270 HZ2 LYS 33 2HZ LYS 33 -8.524 10.022 5.871 271 HZ3 LYS 33 3HZ LYS 33 -7.104 10.004 4.960 272 H GLU 34 H GLU 34 -10.599 2.730 5.458 273 HA GLU 34 HA GLU 34 -9.699 1.653 8.041 274 HB2 GLU 34 1HB GLU 34 -12.514 2.110 7.048 275 HB3 GLU 34 2HB GLU 34 -12.063 1.555 8.652 276 HG2 GLU 34 1HG GLU 34 -10.832 3.722 8.943 277 HG3 GLU 34 2HG GLU 34 -11.572 4.255 7.433 278 H LEU 35 H LEU 35 -9.842 0.647 5.024 279 HA LEU 35 HA LEU 35 -11.343 -1.770 5.189 280 HB2 LEU 35 1HB LEU 35 -10.802 -0.548 3.089 281 HB3 LEU 35 2HB LEU 35 -9.122 -0.982 3.296 282 HG LEU 35 HG LEU 35 -10.503 -2.298 1.607 283 HD11 LEU 35 1HD1 LEU 35 -9.342 -4.371 2.098 284 HD12 LEU 35 2HD1 LEU 35 -9.007 -3.807 3.735 285 HD13 LEU 35 3HD1 LEU 35 -8.288 -2.979 2.351 286 HD21 LEU 35 1HD2 LEU 35 -12.477 -2.649 2.971 287 HD22 LEU 35 2HD2 LEU 35 -11.526 -3.571 4.134 288 HD23 LEU 35 3HD2 LEU 35 -11.764 -4.192 2.501 289 H ARG 36 H ARG 36 -10.790 -3.585 6.184 290 HA ARG 36 HA ARG 36 -7.957 -4.021 6.833 291 HB2 ARG 36 1HB ARG 36 -10.335 -4.869 8.490 292 HB3 ARG 36 2HB ARG 36 -8.644 -5.095 8.908 293 HG2 ARG 36 1HG ARG 36 -10.133 -2.487 8.704 294 HG3 ARG 36 2HG ARG 36 -9.510 -3.254 10.167 295 HD2 ARG 36 1HD ARG 36 -7.236 -2.946 9.398 296 HD3 ARG 36 2HD ARG 36 -7.814 -2.297 7.867 297 HE ARG 36 HE ARG 36 -8.445 -0.933 10.395 298 HH11 ARG 36 1HH1 ARG 36 -6.911 -0.944 7.244 299 HH12 ARG 36 2HH1 ARG 36 -6.647 0.772 7.232 300 HH21 ARG 36 1HH2 ARG 36 -8.101 1.323 10.371 301 HH22 ARG 36 2HH2 ARG 36 -7.329 2.057 9.001 302 H GLU 37 H GLU 37 -7.482 -6.417 7.281 303 HA GLU 37 HA GLU 37 -8.100 -7.765 4.882 304 HB2 GLU 37 1HB GLU 37 -6.018 -8.093 6.256 305 HB3 GLU 37 2HB GLU 37 -6.988 -9.046 7.372 306 HG2 GLU 37 1HG GLU 37 -7.536 -10.601 5.589 307 HG3 GLU 37 2HG GLU 37 -6.586 -9.644 4.455 308 H THR 38 H THR 38 -9.274 -8.100 8.171 309 HA THR 38 HA THR 38 -10.935 -10.302 7.883 310 HB THR 38 HB THR 38 -11.585 -7.827 9.490 311 HG1 THR 38 HG1 THR 38 -9.917 -10.038 10.188 312 HG21 THR 38 1HG2 THR 38 -12.228 -10.745 9.916 313 HG22 THR 38 2HG2 THR 38 -13.364 -9.494 9.410 314 HG23 THR 38 3HG2 THR 38 -12.641 -9.433 11.018 315 H HIS 39 H HIS 39 -11.255 -7.059 6.706 316 HA HIS 39 HA HIS 39 -14.078 -7.219 6.209 317 HB2 HIS 39 1HB HIS 39 -12.016 -5.234 5.244 318 HB3 HIS 39 2HB HIS 39 -13.751 -5.084 4.981 319 HD1 HIS 39 HD1 HIS 39 -12.866 -2.754 6.362 320 HD2 HIS 39 HD2 HIS 39 -13.522 -6.271 8.472 321 HE1 HIS 39 HE1 HIS 39 -13.001 -2.075 8.773 322 HE2 HIS 39 HE2 HIS 39 -13.648 -4.183 9.997 323 H LEU 40 H LEU 40 -11.107 -7.724 4.376 324 HA LEU 40 HA LEU 40 -12.319 -8.031 1.846 325 HB2 LEU 40 1HB LEU 40 -9.778 -9.133 3.006 326 HB3 LEU 40 2HB LEU 40 -10.304 -9.553 1.390 327 HG LEU 40 HG LEU 40 -9.054 -7.818 0.751 328 HD11 LEU 40 1HD1 LEU 40 -11.297 -6.959 0.378 329 HD12 LEU 40 2HD1 LEU 40 -10.156 -5.661 0.720 330 HD13 LEU 40 3HD1 LEU 40 -11.275 -6.202 1.970 331 HD21 LEU 40 1HD2 LEU 40 -7.974 -7.672 2.914 332 HD22 LEU 40 2HD2 LEU 40 -9.290 -6.665 3.520 333 HD23 LEU 40 3HD2 LEU 40 -8.239 -6.068 2.235 334 H ASN 41 H ASN 41 -11.709 -10.272 4.483 335 HA ASN 41 HA ASN 41 -12.631 -12.622 3.283 336 HB2 ASN 41 1HB ASN 41 -12.893 -11.745 6.169 337 HB3 ASN 41 2HB ASN 41 -13.128 -13.388 5.592 338 HD21 ASN 41 1HD2 ASN 41 -11.270 -12.488 7.552 339 HD22 ASN 41 2HD2 ASN 41 -9.679 -12.839 6.965 340 H GLU 42 H GLU 42 -14.307 -9.945 4.765 341 HA GLU 42 HA GLU 42 -16.921 -11.074 4.641 342 HB2 GLU 42 1HB GLU 42 -15.952 -8.232 4.922 343 HB3 GLU 42 2HB GLU 42 -17.632 -8.720 5.068 344 HG2 GLU 42 1HG GLU 42 -15.401 -9.714 6.820 345 HG3 GLU 42 2HG GLU 42 -16.502 -8.403 7.234 346 H LEU 43 H LEU 43 -14.955 -9.060 2.566 347 HA LEU 43 HA LEU 43 -17.089 -8.469 0.718 348 HB2 LEU 43 1HB LEU 43 -14.123 -8.042 0.398 349 HB3 LEU 43 2HB LEU 43 -15.398 -7.279 -0.530 350 HG LEU 43 HG LEU 43 -14.870 -6.850 2.404 351 HD11 LEU 43 1HD1 LEU 43 -14.185 -4.614 1.732 352 HD12 LEU 43 2HD1 LEU 43 -14.407 -5.054 0.038 353 HD13 LEU 43 3HD1 LEU 43 -13.163 -5.853 1.002 354 HD21 LEU 43 1HD2 LEU 43 -16.851 -5.534 0.561 355 HD22 LEU 43 2HD2 LEU 43 -16.532 -5.079 2.236 356 HD23 LEU 43 3HD2 LEU 43 -17.230 -6.656 1.869 357 H ASN 44 H ASN 44 -15.272 -11.125 1.291 358 HA ASN 44 HA ASN 44 -14.953 -13.095 0.233 359 HB2 ASN 44 1HB ASN 44 -17.252 -12.617 -0.727 360 HB3 ASN 44 2HB ASN 44 -16.429 -11.998 -2.154 361 HD21 ASN 44 1HD2 ASN 44 -17.230 -13.573 -3.515 362 HD22 ASN 44 2HD2 ASN 44 -16.734 -15.224 -3.428 363 H ILE 45 H ILE 45 -13.374 -10.529 -0.236 364 HA ILE 45 HA ILE 45 -11.906 -11.253 -2.641 365 HB ILE 45 HB ILE 45 -11.279 -9.087 -0.626 366 HG12 ILE 45 1HG1 ILE 45 -12.639 -8.848 -3.316 367 HG13 ILE 45 2HG1 ILE 45 -13.479 -8.804 -1.770 368 HG21 ILE 45 1HG2 ILE 45 -10.249 -9.559 -3.425 369 HG22 ILE 45 2HG2 ILE 45 -9.342 -9.802 -1.932 370 HG23 ILE 45 3HG2 ILE 45 -9.849 -8.178 -2.402 371 HD11 ILE 45 1HD1 ILE 45 -11.332 -6.857 -2.562 372 HD12 ILE 45 2HD1 ILE 45 -12.411 -6.767 -1.169 373 HD13 ILE 45 3HD1 ILE 45 -13.056 -6.581 -2.798 374 H MET 46 H MET 46 -11.470 -13.360 -1.762 375 HA MET 46 HA MET 46 -9.904 -13.559 0.654 376 HB2 MET 46 1HB MET 46 -10.637 -15.766 -1.262 377 HB3 MET 46 2HB MET 46 -10.172 -15.925 0.425 378 HG2 MET 46 1HG MET 46 -12.705 -14.705 -0.644 379 HG3 MET 46 2HG MET 46 -12.540 -16.244 0.196 380 HE1 MET 46 1HE MET 46 -11.536 -15.068 3.803 381 HE2 MET 46 2HE MET 46 -10.439 -15.467 2.481 382 HE3 MET 46 3HE MET 46 -11.871 -16.453 2.766 383 H ASP 47 H ASP 47 -9.282 -13.005 -2.549 384 HA ASP 47 HA ASP 47 -6.976 -14.446 -3.159 385 HB2 ASP 47 1HB ASP 47 -7.803 -11.650 -3.940 386 HB3 ASP 47 2HB ASP 47 -6.460 -12.513 -4.674 387 HA PRO 48 HA PRO 48 -4.599 -13.071 0.330 388 HB2 PRO 48 1HB PRO 48 -2.433 -14.443 -1.158 389 HB3 PRO 48 2HB PRO 48 -2.983 -14.668 0.502 390 HG2 PRO 48 1HG PRO 48 -3.588 -16.448 -1.366 391 HG3 PRO 48 2HG PRO 48 -4.764 -15.998 -0.120 392 HD2 PRO 48 1HD PRO 48 -4.620 -15.155 -2.980 393 HD3 PRO 48 2HD PRO 48 -6.034 -15.558 -1.988 394 H GLN 49 H GLN 49 -2.891 -12.902 -2.834 395 HA GLN 49 HA GLN 49 -1.178 -10.814 -1.953 396 HB2 GLN 49 1HB GLN 49 -1.862 -11.879 -4.678 397 HB3 GLN 49 2HB GLN 49 -0.836 -10.469 -4.482 398 HG2 GLN 49 1HG GLN 49 0.712 -11.799 -3.127 399 HG3 GLN 49 2HG GLN 49 -0.304 -13.214 -3.372 400 HE21 GLN 49 1HE2 GLN 49 1.959 -11.024 -4.816 401 HE22 GLN 49 2HE2 GLN 49 2.232 -11.932 -6.257 402 H HIS 50 H HIS 50 -4.269 -10.919 -3.567 403 HA HIS 50 HA HIS 50 -4.404 -8.174 -4.257 404 HB2 HIS 50 1HB HIS 50 -6.566 -10.226 -3.790 405 HB3 HIS 50 2HB HIS 50 -6.887 -8.600 -4.378 406 HD1 HIS 50 HD1 HIS 50 -7.839 -9.784 -6.583 407 HD2 HIS 50 HD2 HIS 50 -3.770 -10.247 -5.906 408 HE1 HIS 50 HE1 HIS 50 -6.879 -10.547 -8.760 409 HE2 HIS 50 HE2 HIS 50 -4.395 -10.624 -8.385 410 H ARG 51 H ARG 51 -5.572 -10.025 -1.495 411 HA ARG 51 HA ARG 51 -6.590 -7.974 0.076 412 HB2 ARG 51 1HB ARG 51 -5.134 -10.515 0.800 413 HB3 ARG 51 2HB ARG 51 -5.825 -9.446 2.014 414 HG2 ARG 51 1HG ARG 51 -7.975 -9.954 1.436 415 HG3 ARG 51 2HG ARG 51 -7.542 -10.396 -0.214 416 HD2 ARG 51 1HD ARG 51 -8.167 -12.366 1.028 417 HD3 ARG 51 2HD ARG 51 -6.458 -12.424 0.624 418 HE ARG 51 HE ARG 51 -6.606 -11.348 3.161 419 HH11 ARG 51 1HH1 ARG 51 -7.515 -14.320 1.559 420 HH12 ARG 51 2HH1 ARG 51 -7.357 -15.296 2.985 421 HH21 ARG 51 1HH2 ARG 51 -6.361 -12.655 5.068 422 HH22 ARG 51 2HH2 ARG 51 -6.718 -14.353 4.968 423 H ALA 52 H ALA 52 -3.309 -9.304 0.012 424 HA ALA 52 HA ALA 52 -2.096 -7.725 1.897 425 HB1 ALA 52 1HB ALA 52 -0.005 -8.232 0.748 426 HB2 ALA 52 2HB ALA 52 -0.906 -8.732 -0.681 427 HB3 ALA 52 3HB ALA 52 -1.051 -9.648 0.817 428 H LYS 53 H LYS 53 -2.600 -7.002 -1.537 429 HA LYS 53 HA LYS 53 -1.288 -4.494 -1.484 430 HB2 LYS 53 1HB LYS 53 -3.485 -5.381 -3.360 431 HB3 LYS 53 2HB LYS 53 -2.336 -4.077 -3.630 432 HG2 LYS 53 1HG LYS 53 -0.547 -5.922 -3.352 433 HG3 LYS 53 2HG LYS 53 -1.883 -7.027 -3.672 434 HD2 LYS 53 1HD LYS 53 -0.944 -6.678 -5.774 435 HD3 LYS 53 2HD LYS 53 -2.309 -5.562 -5.749 436 HE2 LYS 53 1HE LYS 53 -0.848 -3.717 -5.215 437 HE3 LYS 53 2HE LYS 53 0.528 -4.814 -5.073 438 HZ1 LYS 53 1HZ LYS 53 0.217 -5.356 -7.449 439 HZ2 LYS 53 2HZ LYS 53 0.597 -3.730 -7.191 440 HZ3 LYS 53 3HZ LYS 53 -0.994 -4.178 -7.542 441 H LEU 54 H LEU 54 -4.724 -5.371 -1.325 442 HA LEU 54 HA LEU 54 -5.805 -2.833 -1.114 443 HB2 LEU 54 1HB LEU 54 -6.735 -5.429 0.100 444 HB3 LEU 54 2HB LEU 54 -7.702 -3.969 0.052 445 HG LEU 54 HG LEU 54 -6.641 -5.319 -2.424 446 HD11 LEU 54 1HD1 LEU 54 -8.887 -6.230 -2.714 447 HD12 LEU 54 2HD1 LEU 54 -9.347 -5.596 -1.133 448 HD13 LEU 54 3HD1 LEU 54 -8.116 -6.854 -1.255 449 HD21 LEU 54 1HD2 LEU 54 -7.190 -2.989 -2.732 450 HD22 LEU 54 2HD2 LEU 54 -8.761 -3.228 -1.967 451 HD23 LEU 54 3HD2 LEU 54 -8.409 -3.994 -3.516 452 H LEU 55 H LEU 55 -4.616 -4.958 1.479 453 HA LEU 55 HA LEU 55 -5.350 -3.239 3.594 454 HB2 LEU 55 1HB LEU 55 -3.381 -5.478 3.374 455 HB3 LEU 55 2HB LEU 55 -3.431 -4.487 4.816 456 HG LEU 55 HG LEU 55 -4.894 -6.002 5.561 457 HD11 LEU 55 1HD1 LEU 55 -6.717 -4.649 3.590 458 HD12 LEU 55 2HD1 LEU 55 -6.298 -4.051 5.196 459 HD13 LEU 55 3HD1 LEU 55 -7.212 -5.549 5.023 460 HD21 LEU 55 1HD2 LEU 55 -6.122 -7.575 4.147 461 HD22 LEU 55 2HD2 LEU 55 -4.395 -7.572 3.783 462 HD23 LEU 55 3HD2 LEU 55 -5.525 -6.743 2.713 463 H THR 56 H THR 56 -2.341 -3.571 1.780 464 HA THR 56 HA THR 56 -0.818 -1.769 3.304 465 HB THR 56 HB THR 56 -0.563 -2.334 0.353 466 HG1 THR 56 HG1 THR 56 -0.414 -4.289 1.307 467 HG21 THR 56 1HG2 THR 56 1.473 -1.461 2.398 468 HG22 THR 56 2HG2 THR 56 0.771 -0.428 1.152 469 HG23 THR 56 3HG2 THR 56 1.791 -1.796 0.697 470 H ALA 57 H ALA 57 -2.869 -1.321 0.466 471 HA ALA 57 HA ALA 57 -2.409 1.407 0.088 472 HB1 ALA 57 1HB ALA 57 -4.797 -0.312 -0.521 473 HB2 ALA 57 2HB ALA 57 -3.518 0.202 -1.621 474 HB3 ALA 57 3HB ALA 57 -4.673 1.379 -0.999 475 H ALA 58 H ALA 58 -4.849 -0.292 2.020 476 HA ALA 58 HA ALA 58 -6.127 1.978 3.057 477 HB1 ALA 58 1HB ALA 58 -7.013 0.491 4.762 478 HB2 ALA 58 2HB ALA 58 -5.817 -0.735 4.330 479 HB3 ALA 58 3HB ALA 58 -7.067 -0.273 3.171 480 H GLU 59 H GLU 59 -3.368 0.114 4.240 481 HA GLU 59 HA GLU 59 -2.972 1.392 6.690 482 HB2 GLU 59 1HB GLU 59 -0.972 0.179 4.777 483 HB3 GLU 59 2HB GLU 59 -0.574 0.687 6.408 484 HG2 GLU 59 1HG GLU 59 -2.610 -1.410 5.710 485 HG3 GLU 59 2HG GLU 59 -0.949 -1.735 6.189 486 H LEU 60 H LEU 60 -1.469 2.074 3.535 487 HA LEU 60 HA LEU 60 -0.064 4.337 4.458 488 HB2 LEU 60 1HB LEU 60 -0.596 3.101 1.836 489 HB3 LEU 60 2HB LEU 60 -0.219 4.812 1.809 490 HG LEU 60 HG LEU 60 1.895 4.383 2.957 491 HD11 LEU 60 1HD1 LEU 60 2.683 2.083 3.270 492 HD12 LEU 60 2HD1 LEU 60 1.086 1.488 2.811 493 HD13 LEU 60 3HD1 LEU 60 1.281 2.456 4.275 494 HD21 LEU 60 1HD2 LEU 60 2.965 3.032 1.128 495 HD22 LEU 60 2HD2 LEU 60 2.016 4.425 0.607 496 HD23 LEU 60 3HD2 LEU 60 1.342 2.803 0.473 497 H LEU 61 H LEU 61 -3.163 4.063 2.697 498 HA LEU 61 HA LEU 61 -3.570 6.818 2.349 499 HB2 LEU 61 1HB LEU 61 -5.568 4.588 2.666 500 HB3 LEU 61 2HB LEU 61 -5.994 6.220 2.197 501 HG LEU 61 HG LEU 61 -4.186 4.382 0.635 502 HD11 LEU 61 1HD1 LEU 61 -6.997 5.266 0.030 503 HD12 LEU 61 2HD1 LEU 61 -6.574 3.714 0.748 504 HD13 LEU 61 3HD1 LEU 61 -6.013 4.112 -0.872 505 HD21 LEU 61 1HD2 LEU 61 -4.401 6.071 -1.128 506 HD22 LEU 61 2HD2 LEU 61 -3.628 6.731 0.313 507 HD23 LEU 61 3HD2 LEU 61 -5.320 7.099 -0.026 508 H LEU 62 H LEU 62 -3.849 4.859 5.157 509 HA LEU 62 HA LEU 62 -5.653 6.500 6.608 510 HB2 LEU 62 1HB LEU 62 -5.134 4.102 7.076 511 HB3 LEU 62 2HB LEU 62 -3.565 4.603 7.670 512 HG LEU 62 HG LEU 62 -4.600 5.823 9.499 513 HD11 LEU 62 1HD1 LEU 62 -7.032 5.673 9.868 514 HD12 LEU 62 2HD1 LEU 62 -7.208 4.916 8.286 515 HD13 LEU 62 3HD1 LEU 62 -6.624 6.575 8.412 516 HD21 LEU 62 1HD2 LEU 62 -4.117 3.438 9.782 517 HD22 LEU 62 2HD2 LEU 62 -5.739 3.047 9.217 518 HD23 LEU 62 3HD2 LEU 62 -5.523 3.935 10.725 519 H ASP 63 H ASP 63 -2.247 6.591 5.986 520 HA ASP 63 HA ASP 63 -1.965 8.852 7.855 521 HB2 ASP 63 1HB ASP 63 0.035 6.842 6.859 522 HB3 ASP 63 2HB ASP 63 0.535 8.363 7.588 523 H TYR 64 H TYR 64 -1.341 7.743 4.605 524 HA TYR 64 HA TYR 64 -0.117 10.289 3.851 525 HB2 TYR 64 1HB TYR 64 -0.316 7.647 2.403 526 HB3 TYR 64 2HB TYR 64 0.468 9.078 1.752 527 HD1 TYR 64 HD1 TYR 64 2.604 9.832 2.644 528 HD2 TYR 64 HD2 TYR 64 0.728 6.319 4.118 529 HE1 TYR 64 HE1 TYR 64 4.716 9.158 3.685 530 HE2 TYR 64 HE2 TYR 64 2.834 5.626 5.164 531 HH TYR 64 HH TYR 64 5.493 7.719 5.515 532 H ASP 65 H ASP 65 -2.732 10.717 4.279 533 HA ASP 65 HA ASP 65 -4.226 10.262 1.832 534 HB2 ASP 65 1HB ASP 65 -6.103 11.274 2.999 535 HB3 ASP 65 2HB ASP 65 -5.338 10.067 4.027 536 H THR 66 H THR 66 -1.895 11.847 1.619 537 HA THR 66 HA THR 66 -1.038 13.769 0.821 538 HB THR 66 HB THR 66 -2.533 15.009 -0.848 539 HG1 THR 66 HG1 THR 66 -4.410 13.559 0.267 540 HG21 THR 66 1HG2 THR 66 -0.837 13.431 -1.529 541 HG22 THR 66 2HG2 THR 66 -2.286 13.204 -2.509 542 HG23 THR 66 3HG2 THR 66 -1.922 12.083 -1.200 543 H GLY 67 H GLY 67 -2.448 13.991 3.400 544 HA2 GLY 67 1HA GLY 67 -3.616 16.651 3.368 545 HA3 GLY 67 2HA GLY 67 -3.448 15.598 4.766 546 H CYS 68 H CYS 68 -1.003 16.684 2.487 547 HA CYS 68 HA CYS 68 0.965 17.767 2.710 548 HB2 CYS 68 1HB CYS 68 -0.531 19.118 4.948 549 HB3 CYS 68 2HB CYS 68 1.060 19.622 4.395 550 H GLU 69 H GLU 69 2.806 18.263 4.307 551 HA GLU 69 HA GLU 69 3.234 15.856 5.868 552 HB2 GLU 69 1HB GLU 69 5.099 18.169 5.302 553 HB3 GLU 69 2HB GLU 69 5.546 16.641 6.051 554 HG2 GLU 69 1HG GLU 69 4.973 15.464 3.995 555 HG3 GLU 69 2HG GLU 69 4.530 16.994 3.242 556 H1 GLY 1 1H GLY 1 0.821 7.861 11.126 557 H2 GLY 1 2H GLY 1 2.242 8.028 12.031 558 H3 GLY 1 3H GLY 1 2.064 6.724 10.971 559 HA2 GLY 1 2HA GLY 1 1.971 8.274 9.092 560 HA3 GLY 1 1HA GLY 1 2.276 9.584 10.223 561 HA PRO 2 HA PRO 2 6.289 6.861 9.700 562 HB2 PRO 2 1HB PRO 2 6.035 6.116 6.882 563 HB3 PRO 2 2HB PRO 2 6.454 5.110 8.270 564 HG2 PRO 2 1HG PRO 2 4.097 4.872 6.988 565 HG3 PRO 2 2HG PRO 2 4.262 4.598 8.732 566 HD2 PRO 2 1HD PRO 2 3.215 7.001 7.282 567 HD3 PRO 2 2HD PRO 2 2.604 6.218 8.757 568 H LYS 3 H LYS 3 7.652 8.515 9.634 569 HA LYS 3 HA LYS 3 7.574 10.421 7.446 570 HB2 LYS 3 1HB LYS 3 9.360 10.303 9.878 571 HB3 LYS 3 2HB LYS 3 9.258 11.639 8.746 572 HG2 LYS 3 1HG LYS 3 6.988 10.662 10.463 573 HG3 LYS 3 2HG LYS 3 8.025 12.034 10.844 574 HD2 LYS 3 1HD LYS 3 6.253 11.789 8.412 575 HD3 LYS 3 2HD LYS 3 5.896 12.743 9.851 576 HE2 LYS 3 1HE LYS 3 7.953 14.064 9.422 577 HE3 LYS 3 2HE LYS 3 8.180 13.160 7.925 578 HZ1 LYS 3 1HZ LYS 3 7.098 15.265 7.508 579 HZ2 LYS 3 2HZ LYS 3 5.850 14.877 8.578 580 HZ3 LYS 3 3HZ LYS 3 6.044 13.993 7.152 581 H THR 4 H THR 4 9.097 7.532 8.181 582 HA THR 4 HA THR 4 11.221 8.079 6.251 583 HB THR 4 HB THR 4 12.754 6.675 7.644 584 HG1 THR 4 HG1 THR 4 11.806 6.965 10.024 585 HG21 THR 4 1HG2 THR 4 13.272 8.459 9.259 586 HG22 THR 4 2HG2 THR 4 11.722 9.219 8.892 587 HG23 THR 4 3HG2 THR 4 12.961 9.094 7.643 588 H LEU 5 H LEU 5 12.342 6.004 5.612 589 HA LEU 5 HA LEU 5 10.498 4.290 4.396 590 HB2 LEU 5 1HB LEU 5 12.822 4.799 3.640 591 HB3 LEU 5 2HB LEU 5 13.427 3.793 4.937 592 HG LEU 5 HG LEU 5 13.270 2.856 2.522 593 HD11 LEU 5 1HD1 LEU 5 12.835 0.598 3.398 594 HD12 LEU 5 2HD1 LEU 5 12.287 1.315 4.915 595 HD13 LEU 5 3HD1 LEU 5 13.962 1.516 4.397 596 HD21 LEU 5 1HD2 LEU 5 10.947 3.489 2.153 597 HD22 LEU 5 2HD2 LEU 5 10.446 2.438 3.480 598 HD23 LEU 5 3HD2 LEU 5 11.167 1.744 2.027 599 H HIS 6 H HIS 6 12.613 3.796 7.196 600 HA HIS 6 HA HIS 6 12.019 1.148 7.742 601 HB2 HIS 6 1HB HIS 6 13.820 2.411 8.840 602 HB3 HIS 6 2HB HIS 6 12.626 3.357 9.712 603 HD1 HIS 6 HD1 HIS 6 14.609 0.300 9.950 604 HD2 HIS 6 HD2 HIS 6 11.097 1.765 11.616 605 HE1 HIS 6 HE1 HIS 6 14.141 -1.160 11.940 606 HE2 HIS 6 HE2 HIS 6 11.925 -0.353 12.833 607 H GLU 7 H GLU 7 10.341 4.065 8.806 608 HA GLU 7 HA GLU 7 8.557 2.712 10.547 609 HB2 GLU 7 1HB GLU 7 8.335 5.427 9.250 610 HB3 GLU 7 2HB GLU 7 7.319 4.848 10.564 611 HG2 GLU 7 1HG GLU 7 10.296 5.258 10.674 612 HG3 GLU 7 2HG GLU 7 9.075 6.315 11.375 613 H LEU 8 H LEU 8 8.524 3.522 7.163 614 HA LEU 8 HA LEU 8 5.775 3.074 6.685 615 HB2 LEU 8 1HB LEU 8 7.441 4.279 5.213 616 HB3 LEU 8 2HB LEU 8 8.042 2.709 4.733 617 HG LEU 8 HG LEU 8 6.407 3.888 3.176 618 HD11 LEU 8 1HD1 LEU 8 5.891 1.075 4.092 619 HD12 LEU 8 2HD1 LEU 8 6.987 1.598 2.812 620 HD13 LEU 8 3HD1 LEU 8 5.244 1.775 2.611 621 HD21 LEU 8 1HD2 LEU 8 4.833 4.570 4.940 622 HD22 LEU 8 2HD2 LEU 8 4.411 2.874 5.183 623 HD23 LEU 8 3HD2 LEU 8 4.062 3.661 3.642 624 H LEU 9 H LEU 9 8.637 1.007 6.494 625 HA LEU 9 HA LEU 9 7.332 -1.311 5.594 626 HB2 LEU 9 1HB LEU 9 9.881 -0.791 7.062 627 HB3 LEU 9 2HB LEU 9 9.302 -2.434 6.911 628 HG LEU 9 HG LEU 9 10.974 -1.833 5.198 629 HD11 LEU 9 1HD1 LEU 9 9.363 -3.591 4.751 630 HD12 LEU 9 2HD1 LEU 9 9.742 -2.696 3.278 631 HD13 LEU 9 3HD1 LEU 9 8.222 -2.400 4.124 632 HD21 LEU 9 1HD2 LEU 9 8.856 0.035 4.163 633 HD22 LEU 9 2HD2 LEU 9 10.403 -0.329 3.397 634 HD23 LEU 9 3HD2 LEU 9 10.362 0.522 4.941 635 H GLU 10 H GLU 10 7.909 -0.068 8.857 636 HA GLU 10 HA GLU 10 6.757 -2.271 10.211 637 HB2 GLU 10 1HB GLU 10 7.009 0.613 11.076 638 HB3 GLU 10 2HB GLU 10 6.537 -0.710 12.134 639 HG2 GLU 10 1HG GLU 10 8.739 -1.781 11.622 640 HG3 GLU 10 2HG GLU 10 9.189 -0.295 10.784 641 H ARG 11 H ARG 11 5.438 0.546 8.667 642 HA ARG 11 HA ARG 11 2.885 0.555 9.853 643 HB2 ARG 11 1HB ARG 11 4.246 2.152 8.088 644 HB3 ARG 11 2HB ARG 11 3.034 1.418 7.050 645 HG2 ARG 11 1HG ARG 11 2.434 2.881 9.606 646 HG3 ARG 11 2HG ARG 11 2.363 3.591 7.995 647 HD2 ARG 11 1HD ARG 11 0.615 2.069 7.351 648 HD3 ARG 11 2HD ARG 11 0.740 1.220 8.893 649 HE ARG 11 HE ARG 11 0.062 4.080 8.881 650 HH11 ARG 11 1HH1 ARG 11 -0.996 0.762 9.363 651 HH12 ARG 11 2HH1 ARG 11 -2.364 1.225 10.323 652 HH21 ARG 11 1HH2 ARG 11 -1.700 4.669 10.132 653 HH22 ARG 11 2HH2 ARG 11 -2.754 3.449 10.780 654 H ILE 12 H ILE 12 4.145 -0.936 6.905 655 HA ILE 12 HA ILE 12 1.539 -2.074 6.323 656 HB ILE 12 HB ILE 12 2.521 -2.830 4.225 657 HG12 ILE 12 1HG1 ILE 12 5.074 -1.523 5.202 658 HG13 ILE 12 2HG1 ILE 12 4.824 -3.260 5.063 659 HG21 ILE 12 1HG2 ILE 12 1.568 -0.623 4.343 660 HG22 ILE 12 2HG2 ILE 12 3.000 -0.583 3.309 661 HG23 ILE 12 3HG2 ILE 12 3.086 0.034 4.958 662 HD11 ILE 12 1HD1 ILE 12 6.083 -2.402 3.177 663 HD12 ILE 12 2HD1 ILE 12 4.773 -1.283 2.797 664 HD13 ILE 12 3HD1 ILE 12 4.517 -3.024 2.653 665 H GLY 13 H GLY 13 4.378 -3.015 7.926 666 HA2 GLY 13 1HA GLY 13 4.423 -4.937 9.293 667 HA3 GLY 13 2HA GLY 13 3.205 -5.669 8.263 668 H LEU 14 H LEU 14 6.001 -4.147 6.898 669 HA LEU 14 HA LEU 14 7.134 -6.803 6.340 670 HB2 LEU 14 1HB LEU 14 6.899 -4.394 4.575 671 HB3 LEU 14 2HB LEU 14 8.175 -5.564 4.314 672 HG LEU 14 HG LEU 14 6.454 -6.143 2.820 673 HD11 LEU 14 1HD1 LEU 14 5.791 -8.347 3.517 674 HD12 LEU 14 2HD1 LEU 14 6.129 -7.948 5.199 675 HD13 LEU 14 3HD1 LEU 14 7.448 -8.027 4.031 676 HD21 LEU 14 1HD2 LEU 14 4.140 -6.565 3.520 677 HD22 LEU 14 2HD2 LEU 14 4.624 -4.882 3.723 678 HD23 LEU 14 3HD2 LEU 14 4.535 -5.950 5.125 679 H GLU 15 H GLU 15 7.602 -4.962 8.546 680 HA GLU 15 HA GLU 15 10.036 -3.603 8.290 681 HB2 GLU 15 1HB GLU 15 10.147 -3.782 10.762 682 HB3 GLU 15 2HB GLU 15 8.600 -3.195 10.170 683 HG2 GLU 15 1HG GLU 15 7.666 -5.450 10.441 684 HG3 GLU 15 2HG GLU 15 9.209 -5.989 11.097 685 H GLU 16 H GLU 16 9.327 -6.932 8.426 686 HA GLU 16 HA GLU 16 11.755 -8.000 9.324 687 HB2 GLU 16 1HB GLU 16 11.097 -10.017 8.055 688 HB3 GLU 16 2HB GLU 16 9.779 -9.387 9.031 689 HG2 GLU 16 1HG GLU 16 8.788 -8.358 7.068 690 HG3 GLU 16 2HG GLU 16 10.134 -8.919 6.080 691 H HIS 17 H HIS 17 10.989 -6.281 6.466 692 HA HIS 17 HA HIS 17 13.465 -7.233 5.194 693 HB2 HIS 17 1HB HIS 17 10.850 -6.443 3.944 694 HB3 HIS 17 2HB HIS 17 12.342 -6.534 3.020 695 HD1 HIS 17 HD1 HIS 17 13.602 -9.057 3.533 696 HD2 HIS 17 HD2 HIS 17 9.462 -8.725 3.742 697 HE1 HIS 17 HE1 HIS 17 12.724 -11.395 3.303 698 HE2 HIS 17 HE2 HIS 17 10.263 -11.190 3.758 699 H THR 18 H THR 18 12.533 -4.760 6.933 700 HA THR 18 HA THR 18 12.834 -2.454 5.428 701 HB THR 18 HB THR 18 13.943 -2.776 8.204 702 HG1 THR 18 HG1 THR 18 11.954 -3.236 8.743 703 HG21 THR 18 1HG2 THR 18 13.294 -0.413 8.405 704 HG22 THR 18 2HG2 THR 18 12.768 -0.434 6.720 705 HG23 THR 18 3HG2 THR 18 14.472 -0.673 7.116 706 H SER 19 H SER 19 15.332 -4.422 6.999 707 HA SER 19 HA SER 19 17.518 -2.821 6.274 708 HB2 SER 19 1HB SER 19 17.472 -5.800 6.761 709 HB3 SER 19 2HB SER 19 18.886 -4.754 6.828 710 HG SER 19 HG SER 19 18.032 -3.733 8.616 711 H THR 20 H THR 20 15.874 -5.467 4.620 712 HA THR 20 HA THR 20 17.664 -5.873 2.521 713 HB THR 20 HB THR 20 14.647 -6.017 2.392 714 HG1 THR 20 HG1 THR 20 16.408 -8.193 2.872 715 HG21 THR 20 1HG2 THR 20 15.687 -6.078 0.192 716 HG22 THR 20 2HG2 THR 20 15.051 -7.671 0.612 717 HG23 THR 20 3HG2 THR 20 16.782 -7.353 0.728 718 H LEU 21 H LEU 21 14.836 -3.716 2.682 719 HA LEU 21 HA LEU 21 15.263 -2.454 0.208 720 HB2 LEU 21 1HB LEU 21 13.848 -1.640 2.729 721 HB3 LEU 21 2HB LEU 21 14.002 -0.514 1.405 722 HG LEU 21 HG LEU 21 11.883 -1.420 1.117 723 HD11 LEU 21 1HD1 LEU 21 13.622 -3.175 -0.594 724 HD12 LEU 21 2HD1 LEU 21 13.236 -1.489 -0.936 725 HD13 LEU 21 3HD1 LEU 21 11.954 -2.701 -0.910 726 HD21 LEU 21 1HD2 LEU 21 12.056 -3.203 2.764 727 HD22 LEU 21 2HD2 LEU 21 13.018 -4.158 1.636 728 HD23 LEU 21 3HD2 LEU 21 11.336 -3.783 1.262 729 H LEU 22 H LEU 22 16.160 -1.498 3.485 730 HA LEU 22 HA LEU 22 17.392 0.918 3.004 731 HB2 LEU 22 1HB LEU 22 16.838 -0.195 5.203 732 HB3 LEU 22 2HB LEU 22 18.305 -1.131 5.011 733 HG LEU 22 HG LEU 22 19.574 1.038 4.947 734 HD11 LEU 22 1HD1 LEU 22 18.460 3.009 5.867 735 HD12 LEU 22 2HD1 LEU 22 16.928 2.133 5.881 736 HD13 LEU 22 3HD1 LEU 22 17.722 2.497 4.351 737 HD21 LEU 22 1HD2 LEU 22 19.505 1.327 7.369 738 HD22 LEU 22 2HD2 LEU 22 19.479 -0.382 6.932 739 HD23 LEU 22 3HD2 LEU 22 17.993 0.420 7.439 740 H LEU 23 H LEU 23 18.878 -2.309 2.993 741 HA LEU 23 HA LEU 23 21.519 -1.357 2.559 742 HB2 LEU 23 1HB LEU 23 20.337 -4.094 2.143 743 HB3 LEU 23 2HB LEU 23 22.047 -3.727 2.125 744 HG LEU 23 HG LEU 23 20.197 -3.472 4.493 745 HD11 LEU 23 1HD1 LEU 23 21.543 -5.287 5.425 746 HD12 LEU 23 2HD1 LEU 23 22.452 -5.383 3.917 747 HD13 LEU 23 3HD1 LEU 23 20.732 -5.772 3.936 748 HD21 LEU 23 1HD2 LEU 23 21.886 -1.731 4.549 749 HD22 LEU 23 2HD2 LEU 23 23.154 -2.923 4.266 750 HD23 LEU 23 3HD2 LEU 23 22.231 -2.957 5.769 751 H ASN 24 H ASN 24 18.887 -2.182 0.460 752 HA ASN 24 HA ASN 24 20.671 -2.327 -1.837 753 HB2 ASN 24 1HB ASN 24 17.797 -3.041 -1.400 754 HB3 ASN 24 2HB ASN 24 18.419 -2.826 -3.034 755 HD21 ASN 24 1HD2 ASN 24 18.457 -4.777 -0.185 756 HD22 ASN 24 2HD2 ASN 24 19.340 -6.112 -0.854 757 H GLY 25 H GLY 25 19.581 0.119 -0.197 758 HA2 GLY 25 1HA GLY 25 20.186 2.269 -1.093 759 HA3 GLY 25 2HA GLY 25 19.534 1.758 -2.640 760 H TYR 26 H TYR 26 17.316 0.609 -0.665 761 HA TYR 26 HA TYR 26 15.588 2.901 -1.060 762 HB2 TYR 26 1HB TYR 26 15.052 0.130 -0.000 763 HB3 TYR 26 2HB TYR 26 13.814 1.356 -0.242 764 HD1 TYR 26 HD1 TYR 26 15.672 -1.296 -1.735 765 HD2 TYR 26 HD2 TYR 26 13.514 2.259 -2.608 766 HE1 TYR 26 HE1 TYR 26 15.409 -2.035 -4.063 767 HE2 TYR 26 HE2 TYR 26 13.238 1.532 -4.934 768 HH TYR 26 HH TYR 26 14.518 -0.017 -6.528 769 H GLN 27 H GLN 27 16.628 4.293 0.430 770 HA GLN 27 HA GLN 27 16.434 3.506 3.245 771 HB2 GLN 27 1HB GLN 27 17.953 5.819 2.052 772 HB3 GLN 27 2HB GLN 27 18.071 5.214 3.698 773 HG2 GLN 27 1HG GLN 27 18.868 3.041 2.714 774 HG3 GLN 27 2HG GLN 27 18.977 3.878 1.170 775 HE21 GLN 27 1HE2 GLN 27 21.053 2.642 2.776 776 HE22 GLN 27 2HE2 GLN 27 22.215 3.879 3.100 777 H THR 28 H THR 28 15.110 5.580 0.883 778 HA THR 28 HA THR 28 13.616 6.972 2.996 779 HB THR 28 HB THR 28 13.468 8.951 1.586 780 HG1 THR 28 HG1 THR 28 15.172 7.519 -0.214 781 HG21 THR 28 1HG2 THR 28 16.304 7.965 1.911 782 HG22 THR 28 2HG2 THR 28 15.351 8.835 3.115 783 HG23 THR 28 3HG2 THR 28 15.838 9.643 1.624 784 H LEU 29 H LEU 29 11.500 7.835 2.194 785 HA LEU 29 HA LEU 29 9.988 5.796 0.930 786 HB2 LEU 29 1HB LEU 29 9.273 8.697 1.382 787 HB3 LEU 29 2HB LEU 29 8.146 7.404 1.022 788 HG LEU 29 HG LEU 29 9.844 7.564 3.513 789 HD11 LEU 29 1HD1 LEU 29 6.907 8.120 3.135 790 HD12 LEU 29 2HD1 LEU 29 8.153 9.322 3.471 791 HD13 LEU 29 3HD1 LEU 29 7.767 8.092 4.676 792 HD21 LEU 29 1HD2 LEU 29 7.590 5.708 2.783 793 HD22 LEU 29 2HD2 LEU 29 8.479 5.730 4.306 794 HD23 LEU 29 3HD2 LEU 29 9.301 5.286 2.810 795 H GLU 30 H GLU 30 11.691 8.595 -0.151 796 HA GLU 30 HA GLU 30 10.570 8.780 -2.748 797 HB2 GLU 30 1HB GLU 30 13.235 9.700 -1.682 798 HB3 GLU 30 2HB GLU 30 12.592 10.124 -3.265 799 HG2 GLU 30 1HG GLU 30 10.627 11.137 -2.099 800 HG3 GLU 30 2HG GLU 30 11.475 10.870 -0.578 801 H ASP 31 H ASP 31 13.020 6.775 -1.321 802 HA ASP 31 HA ASP 31 13.943 5.775 -3.868 803 HB2 ASP 31 1HB ASP 31 14.339 4.679 -1.073 804 HB3 ASP 31 2HB ASP 31 15.116 4.059 -2.521 805 H PHE 32 H PHE 32 11.905 4.668 -1.217 806 HA PHE 32 HA PHE 32 11.412 2.096 -2.219 807 HB2 PHE 32 1HB PHE 32 11.088 2.850 0.140 808 HB3 PHE 32 2HB PHE 32 9.633 3.692 -0.376 809 HD1 PHE 32 HD1 PHE 32 11.145 0.449 0.332 810 HD2 PHE 32 HD2 PHE 32 7.658 2.448 -1.044 811 HE1 PHE 32 HE1 PHE 32 9.839 -1.611 0.654 812 HE2 PHE 32 HE2 PHE 32 6.349 0.401 -0.722 813 HZ PHE 32 HZ PHE 32 7.435 -1.632 0.130 814 H LYS 33 H LYS 33 9.859 5.161 -2.903 815 HA LYS 33 HA LYS 33 7.475 4.114 -3.980 816 HB2 LYS 33 1HB LYS 33 7.261 6.309 -5.119 817 HB3 LYS 33 2HB LYS 33 7.580 6.434 -3.397 818 HG2 LYS 33 1HG LYS 33 9.878 6.977 -3.803 819 HG3 LYS 33 2HG LYS 33 9.681 6.691 -5.530 820 HD2 LYS 33 1HD LYS 33 9.680 9.081 -5.000 821 HD3 LYS 33 2HD LYS 33 8.143 8.567 -5.687 822 HE2 LYS 33 1HE LYS 33 7.144 8.519 -3.471 823 HE3 LYS 33 2HE LYS 33 8.688 8.953 -2.745 824 HZ1 LYS 33 1HZ LYS 33 7.185 10.648 -4.668 825 HZ2 LYS 33 2HZ LYS 33 8.614 11.068 -3.870 826 HZ3 LYS 33 3HZ LYS 33 7.188 10.860 -2.992 827 H GLU 34 H GLU 34 10.618 3.839 -5.109 828 HA GLU 34 HA GLU 34 9.716 3.387 -7.871 829 HB2 GLU 34 1HB GLU 34 12.529 3.581 -6.796 830 HB3 GLU 34 2HB GLU 34 12.080 3.405 -8.484 831 HG2 GLU 34 1HG GLU 34 10.865 5.590 -8.280 832 HG3 GLU 34 2HG GLU 34 11.608 5.763 -6.689 833 H LEU 35 H LEU 35 9.845 1.725 -5.159 834 HA LEU 35 HA LEU 35 11.321 -0.605 -5.865 835 HB2 LEU 35 1HB LEU 35 10.785 0.116 -3.543 836 HB3 LEU 35 2HB LEU 35 9.102 -0.245 -3.844 837 HG LEU 35 HG LEU 35 10.467 -1.923 -2.495 838 HD11 LEU 35 1HD1 LEU 35 9.289 -3.819 -3.443 839 HD12 LEU 35 2HD1 LEU 35 8.965 -2.897 -4.910 840 HD13 LEU 35 3HD1 LEU 35 8.249 -2.396 -3.376 841 HD21 LEU 35 1HD2 LEU 35 12.441 -1.974 -3.902 842 HD22 LEU 35 2HD2 LEU 35 11.483 -2.601 -5.243 843 HD23 LEU 35 3HD2 LEU 35 11.711 -3.577 -3.792 844 H ARG 36 H ARG 36 10.757 -2.140 -7.247 845 HA ARG 36 HA ARG 36 7.923 -2.395 -7.980 846 HB2 ARG 36 1HB ARG 36 10.298 -2.871 -9.787 847 HB3 ARG 36 2HB ARG 36 8.604 -2.972 -10.241 848 HG2 ARG 36 1HG ARG 36 10.123 -0.498 -9.452 849 HG3 ARG 36 2HG ARG 36 9.497 -0.907 -11.051 850 HD2 ARG 36 1HD ARG 36 7.225 -0.753 -10.240 851 HD3 ARG 36 2HD ARG 36 7.802 -0.481 -8.598 852 HE ARG 36 HE ARG 36 8.475 1.424 -10.731 853 HH11 ARG 36 1HH1 ARG 36 6.898 0.706 -7.684 854 HH12 ARG 36 2HH1 ARG 36 6.649 2.374 -7.283 855 HH21 ARG 36 1HH2 ARG 36 8.142 3.616 -10.200 856 HH22 ARG 36 2HH2 ARG 36 7.354 4.024 -8.707 857 H GLU 37 H GLU 37 7.433 -4.623 -8.964 858 HA GLU 37 HA GLU 37 8.020 -6.483 -6.926 859 HB2 GLU 37 1HB GLU 37 5.939 -6.466 -8.342 860 HB3 GLU 37 2HB GLU 37 6.904 -7.153 -9.644 861 HG2 GLU 37 1HG GLU 37 7.425 -9.081 -8.258 862 HG3 GLU 37 2HG GLU 37 6.482 -8.394 -6.938 863 H THR 38 H THR 38 9.206 -6.072 -10.203 864 HA THR 38 HA THR 38 10.842 -8.304 -10.423 865 HB THR 38 HB THR 38 11.530 -5.536 -11.421 866 HG1 THR 38 HG1 THR 38 9.816 -7.506 -12.581 867 HG21 THR 38 1HG2 THR 38 12.146 -8.288 -12.500 868 HG22 THR 38 2HG2 THR 38 13.291 -7.194 -11.721 869 HG23 THR 38 3HG2 THR 38 12.576 -6.763 -13.275 870 H HIS 39 H HIS 39 11.191 -5.413 -8.545 871 HA HIS 39 HA HIS 39 14.009 -5.708 -8.088 872 HB2 HIS 39 1HB HIS 39 11.958 -3.977 -6.701 873 HB3 HIS 39 2HB HIS 39 13.694 -3.905 -6.408 874 HD1 HIS 39 HD1 HIS 39 12.831 -1.315 -7.228 875 HD2 HIS 39 HD2 HIS 39 13.471 -4.271 -10.075 876 HE1 HIS 39 HE1 HIS 39 12.989 -0.114 -9.422 877 HE2 HIS 39 HE2 HIS 39 13.618 -1.896 -11.089 878 H LEU 40 H LEU 40 11.027 -6.589 -6.419 879 HA LEU 40 HA LEU 40 12.227 -7.471 -4.023 880 HB2 LEU 40 1HB LEU 40 9.678 -8.256 -5.405 881 HB3 LEU 40 2HB LEU 40 10.195 -9.037 -3.925 882 HG LEU 40 HG LEU 40 8.962 -7.478 -2.910 883 HD11 LEU 40 1HD1 LEU 40 11.213 -6.748 -2.352 884 HD12 LEU 40 2HD1 LEU 40 10.084 -5.396 -2.389 885 HD13 LEU 40 3HD1 LEU 40 11.201 -5.648 -3.729 886 HD21 LEU 40 1HD2 LEU 40 7.889 -6.836 -4.984 887 HD22 LEU 40 2HD2 LEU 40 9.217 -5.733 -5.346 888 HD23 LEU 40 3HD2 LEU 40 8.168 -5.429 -3.961 889 H ASN 41 H ASN 41 11.611 -9.049 -7.103 890 HA ASN 41 HA ASN 41 12.502 -11.620 -6.460 891 HB2 ASN 41 1HB ASN 41 12.776 -10.120 -9.075 892 HB3 ASN 41 2HB ASN 41 13.000 -11.853 -8.881 893 HD21 ASN 41 1HD2 ASN 41 11.150 -10.518 -10.584 894 HD22 ASN 41 2HD2 ASN 41 9.558 -10.976 -10.089 895 H GLU 42 H GLU 42 14.213 -8.696 -7.294 896 HA GLU 42 HA GLU 42 16.815 -9.854 -7.424 897 HB2 GLU 42 1HB GLU 42 15.878 -7.009 -7.060 898 HB3 GLU 42 2HB GLU 42 17.554 -7.469 -7.310 899 HG2 GLU 42 1HG GLU 42 15.316 -8.014 -9.242 900 HG3 GLU 42 2HG GLU 42 16.437 -6.660 -9.348 901 H LEU 43 H LEU 43 14.861 -8.330 -4.953 902 HA LEU 43 HA LEU 43 16.988 -8.196 -3.014 903 HB2 LEU 43 1HB LEU 43 14.025 -7.824 -2.614 904 HB3 LEU 43 2HB LEU 43 15.302 -7.303 -1.533 905 HG LEU 43 HG LEU 43 14.791 -6.216 -4.297 906 HD11 LEU 43 1HD1 LEU 43 14.126 -4.184 -3.137 907 HD12 LEU 43 2HD1 LEU 43 14.340 -4.997 -1.586 908 HD13 LEU 43 3HD1 LEU 43 13.091 -5.546 -2.707 909 HD21 LEU 43 1HD2 LEU 43 16.777 -5.374 -2.200 910 HD22 LEU 43 2HD2 LEU 43 16.470 -4.548 -3.729 911 HD23 LEU 43 3HD2 LEU 43 17.150 -6.176 -3.727 912 H ASN 44 H ASN 44 15.154 -10.639 -4.176 913 HA ASN 44 HA ASN 44 14.814 -12.792 -3.588 914 HB2 ASN 44 1HB ASN 44 17.112 -12.558 -2.537 915 HB3 ASN 44 2HB ASN 44 16.283 -12.277 -1.010 916 HD21 ASN 44 1HD2 ASN 44 17.069 -14.122 -0.044 917 HD22 ASN 44 2HD2 ASN 44 16.569 -15.710 -0.509 918 H ILE 45 H ILE 45 13.255 -10.382 -2.554 919 HA ILE 45 HA ILE 45 11.771 -11.616 -0.378 920 HB ILE 45 HB ILE 45 11.170 -9.046 -1.854 921 HG12 ILE 45 1HG1 ILE 45 12.522 -9.436 0.823 922 HG13 ILE 45 2HG1 ILE 45 13.367 -9.050 -0.671 923 HG21 ILE 45 1HG2 ILE 45 10.126 -10.125 0.766 924 HG22 ILE 45 2HG2 ILE 45 9.222 -10.018 -0.745 925 HG23 ILE 45 3HG2 ILE 45 9.742 -8.546 0.078 926 HD11 ILE 45 1HD1 ILE 45 11.236 -7.315 0.540 927 HD12 ILE 45 2HD1 ILE 45 12.318 -6.921 -0.798 928 HD13 ILE 45 3HD1 ILE 45 12.962 -7.114 0.830 929 H MET 46 H MET 46 11.311 -13.473 -1.707 930 HA MET 46 HA MET 46 9.755 -13.097 -4.109 931 HB2 MET 46 1HB MET 46 10.454 -15.694 -2.750 932 HB3 MET 46 2HB MET 46 9.999 -15.453 -4.430 933 HG2 MET 46 1HG MET 46 12.534 -14.530 -3.102 934 HG3 MET 46 2HG MET 46 12.367 -15.840 -4.264 935 HE1 MET 46 1HE MET 46 11.384 -13.879 -7.519 936 HE2 MET 46 2HE MET 46 10.279 -14.553 -6.323 937 HE3 MET 46 3HE MET 46 11.704 -15.466 -6.819 938 H ASP 47 H ASP 47 9.128 -13.276 -0.870 939 HA ASP 47 HA ASP 47 6.809 -14.793 -0.600 940 HB2 ASP 47 1HB ASP 47 7.671 -12.256 0.791 941 HB3 ASP 47 2HB ASP 47 6.316 -13.246 1.315 942 HA PRO 48 HA PRO 48 4.454 -12.639 -3.692 943 HB2 PRO 48 1HB PRO 48 2.271 -14.295 -2.556 944 HB3 PRO 48 2HB PRO 48 2.824 -14.141 -4.224 945 HG2 PRO 48 1HG PRO 48 3.408 -16.302 -2.805 946 HG3 PRO 48 2HG PRO 48 4.592 -15.594 -3.917 947 HD2 PRO 48 1HD PRO 48 4.447 -15.419 -0.942 948 HD3 PRO 48 2HD PRO 48 5.860 -15.598 -1.998 949 H GLN 49 H GLN 49 2.750 -13.174 -0.569 950 HA GLN 49 HA GLN 49 1.049 -10.929 -0.962 951 HB2 GLN 49 1HB GLN 49 1.713 -12.589 1.454 952 HB3 GLN 49 2HB GLN 49 0.701 -11.161 1.580 953 HG2 GLN 49 1HG GLN 49 -0.854 -12.133 -0.046 954 HG3 GLN 49 2HG GLN 49 0.147 -13.580 -0.122 955 HE21 GLN 49 1HE2 GLN 49 -2.097 -11.740 1.776 956 HE22 GLN 49 2HE2 GLN 49 -2.395 -12.954 2.969 957 H HIS 50 H HIS 50 4.131 -11.425 0.594 958 HA HIS 50 HA HIS 50 4.289 -8.908 1.883 959 HB2 HIS 50 1HB HIS 50 6.434 -10.824 0.972 960 HB3 HIS 50 2HB HIS 50 6.767 -9.377 1.913 961 HD1 HIS 50 HD1 HIS 50 7.697 -11.028 3.801 962 HD2 HIS 50 HD2 HIS 50 3.628 -11.301 3.019 963 HE1 HIS 50 HE1 HIS 50 6.720 -12.259 5.749 964 HE2 HIS 50 HE2 HIS 50 4.238 -12.225 5.355 965 H ARG 51 H ARG 51 5.450 -10.099 -1.225 966 HA ARG 51 HA ARG 51 6.495 -7.755 -2.288 967 HB2 ARG 51 1HB ARG 51 5.019 -10.052 -3.568 968 HB3 ARG 51 2HB ARG 51 5.725 -8.744 -4.508 969 HG2 ARG 51 1HG ARG 51 7.867 -9.395 -4.060 970 HG3 ARG 51 2HG ARG 51 7.425 -10.194 -2.553 971 HD2 ARG 51 1HD ARG 51 8.031 -11.839 -4.208 972 HD3 ARG 51 2HD ARG 51 6.322 -11.967 -3.830 973 HE ARG 51 HE ARG 51 6.490 -10.349 -6.059 974 HH11 ARG 51 1HH1 ARG 51 7.358 -13.616 -5.163 975 HH12 ARG 51 2HH1 ARG 51 7.197 -14.247 -6.771 976 HH21 ARG 51 1HH2 ARG 51 6.248 -11.188 -8.209 977 HH22 ARG 51 2HH2 ARG 51 6.575 -12.870 -8.492 978 H ALA 52 H ALA 52 3.203 -9.037 -2.537 979 HA ALA 52 HA ALA 52 2.009 -7.061 -4.014 980 HB1 ALA 52 1HB ALA 52 -0.089 -7.792 -3.010 981 HB2 ALA 52 2HB ALA 52 0.801 -8.613 -1.730 982 HB3 ALA 52 3HB ALA 52 0.941 -9.166 -3.398 983 H LYS 53 H LYS 53 2.508 -7.136 -0.504 984 HA LYS 53 HA LYS 53 1.221 -4.668 0.010 985 HB2 LYS 53 1HB LYS 53 3.405 -5.977 1.635 986 HB3 LYS 53 2HB LYS 53 2.269 -4.756 2.193 987 HG2 LYS 53 1HG LYS 53 0.464 -6.473 1.502 988 HG3 LYS 53 2HG LYS 53 1.788 -7.635 1.568 989 HD2 LYS 53 1HD LYS 53 0.840 -7.756 3.692 990 HD3 LYS 53 2HD LYS 53 2.218 -6.680 3.921 991 HE2 LYS 53 1HE LYS 53 0.783 -4.745 3.817 992 HE3 LYS 53 2HE LYS 53 -0.604 -5.763 3.424 993 HZ1 LYS 53 1HZ LYS 53 -0.319 -6.838 5.607 994 HZ2 LYS 53 2HZ LYS 53 -0.672 -5.191 5.732 995 HZ3 LYS 53 3HZ LYS 53 0.911 -5.735 5.976 996 H LEU 54 H LEU 54 4.650 -5.521 -0.333 997 HA LEU 54 HA LEU 54 5.754 -3.011 0.030 998 HB2 LEU 54 1HB LEU 54 6.664 -5.275 -1.737 999 HB3 LEU 54 2HB LEU 54 7.644 -3.874 -1.361 1000 HG LEU 54 HG LEU 54 6.563 -5.735 0.748 1001 HD11 LEU 54 1HD1 LEU 54 8.797 -6.713 0.826 1002 HD12 LEU 54 2HD1 LEU 54 9.269 -5.742 -0.570 1003 HD13 LEU 54 3HD1 LEU 54 8.024 -6.982 -0.738 1004 HD21 LEU 54 1HD2 LEU 54 7.134 -3.540 1.572 1005 HD22 LEU 54 2HD2 LEU 54 8.706 -3.620 0.775 1006 HD23 LEU 54 3HD2 LEU 54 8.338 -4.710 2.112 1007 H LEU 55 H LEU 55 4.553 -4.482 -2.978 1008 HA LEU 55 HA LEU 55 5.310 -2.336 -4.648 1009 HB2 LEU 55 1HB LEU 55 3.318 -4.548 -4.943 1010 HB3 LEU 55 2HB LEU 55 3.381 -3.256 -6.125 1011 HG LEU 55 HG LEU 55 4.833 -4.578 -7.191 1012 HD11 LEU 55 1HD1 LEU 55 6.665 -3.719 -4.967 1013 HD12 LEU 55 2HD1 LEU 55 6.254 -2.770 -6.396 1014 HD13 LEU 55 3HD1 LEU 55 7.156 -4.279 -6.567 1015 HD21 LEU 55 1HD2 LEU 55 6.044 -6.440 -6.169 1016 HD22 LEU 55 2HD2 LEU 55 4.317 -6.502 -5.810 1017 HD23 LEU 55 3HD2 LEU 55 5.454 -5.947 -4.582 1018 H THR 56 H THR 56 2.295 -3.041 -2.955 1019 HA THR 56 HA THR 56 0.791 -0.928 -4.036 1020 HB THR 56 HB THR 56 0.522 -2.141 -1.289 1021 HG1 THR 56 HG1 THR 56 0.358 -3.830 -2.658 1022 HG21 THR 56 1HG2 THR 56 -1.500 -0.812 -3.087 1023 HG22 THR 56 2HG2 THR 56 -0.791 -0.092 -1.640 1024 HG23 THR 56 3HG2 THR 56 -1.826 -1.516 -1.504 1025 H ALA 57 H ALA 57 2.838 -1.151 -1.170 1026 HA ALA 57 HA ALA 57 2.402 1.426 -0.186 1027 HB1 ALA 57 1HB ALA 57 4.770 -0.411 0.021 1028 HB2 ALA 57 2HB ALA 57 3.492 -0.146 1.208 1029 HB3 ALA 57 3HB ALA 57 4.663 1.129 0.870 1030 H ALA 58 H ALA 58 4.833 0.183 -2.449 1031 HA ALA 58 HA ALA 58 6.138 2.616 -2.942 1032 HB1 ALA 58 1HB ALA 58 7.016 1.543 -4.938 1033 HB2 ALA 58 2HB ALA 58 5.804 0.264 -4.797 1034 HB3 ALA 58 3HB ALA 58 7.055 0.437 -3.564 1035 H GLU 59 H GLU 59 3.360 1.098 -4.515 1036 HA GLU 59 HA GLU 59 2.986 2.900 -6.616 1037 HB2 GLU 59 1HB GLU 59 0.969 1.306 -5.028 1038 HB3 GLU 59 2HB GLU 59 0.581 2.175 -6.503 1039 HG2 GLU 59 1HG GLU 59 2.594 -0.045 -6.290 1040 HG3 GLU 59 2HG GLU 59 0.933 -0.233 -6.842 1041 H LEU 60 H LEU 60 1.476 2.864 -3.392 1042 HA LEU 60 HA LEU 60 0.099 5.291 -3.781 1043 HB2 LEU 60 1HB LEU 60 0.610 3.486 -1.509 1044 HB3 LEU 60 2HB LEU 60 0.249 5.150 -1.093 1045 HG LEU 60 HG LEU 60 -1.866 5.014 -2.313 1046 HD11 LEU 60 1HD1 LEU 60 -2.672 2.854 -3.142 1047 HD12 LEU 60 2HD1 LEU 60 -1.084 2.153 -2.825 1048 HD13 LEU 60 3HD1 LEU 60 -1.260 3.429 -4.032 1049 HD21 LEU 60 1HD2 LEU 60 -2.956 3.295 -0.839 1050 HD22 LEU 60 2HD2 LEU 60 -1.994 4.522 -0.014 1051 HD23 LEU 60 3HD2 LEU 60 -1.339 2.902 -0.250 1052 H LEU 61 H LEU 61 3.190 4.594 -2.123 1053 HA LEU 61 HA LEU 61 3.624 7.195 -1.162 1054 HB2 LEU 61 1HB LEU 61 5.599 5.074 -1.976 1055 HB3 LEU 61 2HB LEU 61 6.042 6.554 -1.149 1056 HG LEU 61 HG LEU 61 4.210 4.428 -0.045 1057 HD11 LEU 61 1HD1 LEU 61 7.025 5.125 0.754 1058 HD12 LEU 61 2HD1 LEU 61 6.593 3.782 -0.300 1059 HD13 LEU 61 3HD1 LEU 61 6.026 3.807 1.366 1060 HD21 LEU 61 1HD2 LEU 61 4.433 5.672 2.056 1061 HD22 LEU 61 2HD2 LEU 61 3.670 6.649 0.801 1062 HD23 LEU 61 3HD2 LEU 61 5.364 6.914 1.217 1063 H LEU 62 H LEU 62 3.893 5.920 -4.341 1064 HA LEU 62 HA LEU 62 5.715 7.829 -5.383 1065 HB2 LEU 62 1HB LEU 62 5.173 5.601 -6.380 1066 HB3 LEU 62 2HB LEU 62 3.612 6.243 -6.847 1067 HG LEU 62 HG LEU 62 4.665 7.829 -8.354 1068 HD11 LEU 62 1HD1 LEU 62 7.096 7.740 -8.750 1069 HD12 LEU 62 2HD1 LEU 62 7.262 6.646 -7.376 1070 HD13 LEU 62 3HD1 LEU 62 6.694 8.298 -7.127 1071 HD21 LEU 62 1HD2 LEU 62 4.157 5.576 -9.166 1072 HD22 LEU 62 2HD2 LEU 62 5.772 5.046 -8.701 1073 HD23 LEU 62 3HD2 LEU 62 5.572 6.254 -9.971 1074 H ASP 63 H ASP 63 2.306 7.807 -4.766 1075 HA ASP 63 HA ASP 63 2.050 10.433 -6.072 1076 HB2 ASP 63 1HB ASP 63 0.030 8.271 -5.547 1077 HB3 ASP 63 2HB ASP 63 -0.455 9.922 -5.917 1078 H TYR 64 H TYR 64 1.409 8.628 -3.154 1079 HA TYR 64 HA TYR 64 0.209 10.951 -1.846 1080 HB2 TYR 64 1HB TYR 64 0.375 8.048 -1.029 1081 HB3 TYR 64 2HB TYR 64 -0.397 9.305 -0.076 1082 HD1 TYR 64 HD1 TYR 64 -2.519 10.263 -0.775 1083 HD2 TYR 64 HD2 TYR 64 -0.676 7.151 -3.001 1084 HE1 TYR 64 HE1 TYR 64 -4.635 9.863 -1.942 1085 HE2 TYR 64 HE2 TYR 64 -2.786 6.734 -4.179 1086 HH TYR 64 HH TYR 64 -5.418 8.879 -4.058 1087 H ASP 65 H ASP 65 2.830 11.437 -2.161 1088 HA ASP 65 HA ASP 65 4.316 10.427 0.116 1089 HB2 ASP 65 1HB ASP 65 6.200 11.675 -0.792 1090 HB3 ASP 65 2HB ASP 65 5.431 10.731 -2.063 1091 H THR 66 H THR 66 1.994 11.939 0.691 1092 HA THR 66 HA THR 66 1.151 13.645 1.895 1093 HB THR 66 HB THR 66 2.647 14.465 3.804 1094 HG1 THR 66 HG1 THR 66 4.512 13.260 2.391 1095 HG21 THR 66 1HG2 THR 66 0.942 12.788 4.114 1096 HG22 THR 66 2HG2 THR 66 2.388 12.327 5.014 1097 HG23 THR 66 3HG2 THR 66 2.013 11.541 3.483 1098 H GLY 67 H GLY 67 2.567 14.426 -0.568 1099 HA2 GLY 67 1HA GLY 67 3.757 16.997 0.072 1100 HA3 GLY 67 2HA GLY 67 3.592 16.293 -1.531 1101 H CYS 68 H CYS 68 1.154 16.870 0.935 1102 HA CYS 68 HA CYS 68 -0.808 17.987 0.954 1103 HB2 CYS 68 1HB CYS 68 0.711 19.791 -0.918 1104 HB3 CYS 68 2HB CYS 68 -0.884 20.170 -0.282 1105 H GLU 69 H GLU 69 -2.643 18.835 -0.487 1106 HA GLU 69 HA GLU 69 -3.083 16.852 -2.555 1107 HB2 GLU 69 1HB GLU 69 -4.933 18.996 -1.488 1108 HB3 GLU 69 2HB GLU 69 -5.388 17.683 -2.563 1109 HG2 GLU 69 1HG GLU 69 -4.865 16.062 -0.833 1110 HG3 GLU 69 2HG GLU 69 -4.361 17.362 0.245 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 -0.961 11.187 -8.549 2 H2 GLY 1 2H GLY 1 -2.452 11.354 -9.331 3 H3 GLY 1 3H GLY 1 -1.918 9.823 -8.839 4 HA2 GLY 1 2HA GLY 1 -2.135 10.376 -6.554 5 HA3 GLY 1 1HA GLY 1 -2.480 12.047 -6.969 6 HA PRO 2 HA PRO 2 -6.348 9.159 -7.916 7 HB2 PRO 2 1HB PRO 2 -6.142 7.525 -5.478 8 HB3 PRO 2 2HB PRO 2 -6.550 7.038 -7.125 9 HG2 PRO 2 1HG PRO 2 -4.196 6.401 -6.008 10 HG3 PRO 2 2HG PRO 2 -4.344 6.771 -7.737 11 HD2 PRO 2 1HD PRO 2 -3.321 8.484 -5.511 12 HD3 PRO 2 2HD PRO 2 -2.728 8.323 -7.177 13 H LYS 3 H LYS 3 -7.728 10.720 -7.411 14 HA LYS 3 HA LYS 3 -7.901 11.767 -4.721 15 HB2 LYS 3 1HB LYS 3 -9.543 12.428 -7.167 16 HB3 LYS 3 2HB LYS 3 -9.518 13.333 -5.663 17 HG2 LYS 3 1HG LYS 3 -7.153 12.958 -7.486 18 HG3 LYS 3 2HG LYS 3 -8.193 14.380 -7.461 19 HD2 LYS 3 1HD LYS 3 -6.561 13.374 -5.129 20 HD3 LYS 3 2HD LYS 3 -6.101 14.704 -6.191 21 HE2 LYS 3 1HE LYS 3 -8.227 15.850 -5.527 22 HE3 LYS 3 2HE LYS 3 -8.467 14.578 -4.332 23 HZ1 LYS 3 1HZ LYS 3 -7.436 16.499 -3.332 24 HZ2 LYS 3 2HZ LYS 3 -6.167 16.449 -4.444 25 HZ3 LYS 3 3HZ LYS 3 -6.355 15.201 -3.321 26 H THR 4 H THR 4 -9.379 9.345 -6.600 27 HA THR 4 HA THR 4 -11.576 9.190 -4.667 28 HB THR 4 HB THR 4 -13.012 8.252 -6.446 29 HG1 THR 4 HG1 THR 4 -12.133 8.820 -8.663 30 HG21 THR 4 1HG2 THR 4 -13.179 10.620 -5.910 31 HG22 THR 4 2HG2 THR 4 -13.415 10.365 -7.640 32 HG23 THR 4 3HG2 THR 4 -11.874 10.983 -7.040 33 H LEU 5 H LEU 5 -12.581 7.034 -4.562 34 HA LEU 5 HA LEU 5 -10.750 5.081 -3.823 35 HB2 LEU 5 1HB LEU 5 -13.150 5.365 -3.107 36 HB3 LEU 5 2HB LEU 5 -13.626 4.651 -4.630 37 HG LEU 5 HG LEU 5 -13.565 3.204 -2.485 38 HD11 LEU 5 1HD1 LEU 5 -12.927 1.221 -3.798 39 HD12 LEU 5 2HD1 LEU 5 -12.334 2.286 -5.074 40 HD13 LEU 5 3HD1 LEU 5 -14.047 2.284 -4.651 41 HD21 LEU 5 1HD2 LEU 5 -10.664 3.122 -3.284 42 HD22 LEU 5 2HD2 LEU 5 -11.441 2.114 -2.063 43 HD23 LEU 5 3HD2 LEU 5 -11.309 3.856 -1.817 44 H HIS 6 H HIS 6 -12.724 5.354 -6.743 45 HA HIS 6 HA HIS 6 -12.040 3.005 -8.024 46 HB2 HIS 6 1HB HIS 6 -13.805 4.535 -8.777 47 HB3 HIS 6 2HB HIS 6 -12.590 5.711 -9.246 48 HD1 HIS 6 HD1 HIS 6 -11.602 5.501 -11.559 49 HD2 HIS 6 HD2 HIS 6 -13.855 2.182 -10.445 50 HE1 HIS 6 HE1 HIS 6 -11.857 4.110 -13.641 51 HE2 HIS 6 HE2 HIS 6 -13.317 2.172 -12.970 52 H GLU 7 H GLU 7 -10.415 6.149 -8.183 53 HA GLU 7 HA GLU 7 -8.508 5.347 -10.113 54 HB2 GLU 7 1HB GLU 7 -8.297 7.590 -8.107 55 HB3 GLU 7 2HB GLU 7 -7.360 7.425 -9.585 56 HG2 GLU 7 1HG GLU 7 -10.314 7.928 -9.350 57 HG3 GLU 7 2HG GLU 7 -9.083 9.055 -9.907 58 H LEU 8 H LEU 8 -8.622 5.277 -6.623 59 HA LEU 8 HA LEU 8 -5.898 4.701 -6.156 60 HB2 LEU 8 1HB LEU 8 -7.602 5.491 -4.487 61 HB3 LEU 8 2HB LEU 8 -8.266 3.873 -4.483 62 HG LEU 8 HG LEU 8 -6.677 4.550 -2.586 63 HD11 LEU 8 1HD1 LEU 8 -7.401 2.273 -2.893 64 HD12 LEU 8 2HD1 LEU 8 -5.684 2.307 -2.489 65 HD13 LEU 8 3HD1 LEU 8 -6.192 2.033 -4.153 66 HD21 LEU 8 1HD2 LEU 8 -4.324 4.316 -2.992 67 HD22 LEU 8 2HD2 LEU 8 -4.978 5.553 -4.066 68 HD23 LEU 8 3HD2 LEU 8 -4.617 3.943 -4.690 69 H LEU 9 H LEU 9 -8.743 2.615 -6.521 70 HA LEU 9 HA LEU 9 -7.401 0.177 -6.159 71 HB2 LEU 9 1HB LEU 9 -9.970 0.982 -7.435 72 HB3 LEU 9 2HB LEU 9 -9.371 -0.641 -7.707 73 HG LEU 9 HG LEU 9 -11.016 -0.467 -5.854 74 HD11 LEU 9 1HD1 LEU 9 -8.250 -1.345 -5.065 75 HD12 LEU 9 2HD1 LEU 9 -9.446 -2.310 -5.932 76 HD13 LEU 9 3HD1 LEU 9 -9.749 -1.818 -4.265 77 HD21 LEU 9 1HD2 LEU 9 -8.824 1.018 -4.429 78 HD22 LEU 9 2HD2 LEU 9 -10.369 0.509 -3.748 79 HD23 LEU 9 3HD2 LEU 9 -10.324 1.732 -5.017 80 H GLU 10 H GLU 10 -8.056 2.055 -9.097 81 HA GLU 10 HA GLU 10 -6.892 0.199 -10.880 82 HB2 GLU 10 1HB GLU 10 -7.178 3.192 -11.121 83 HB3 GLU 10 2HB GLU 10 -6.681 2.132 -12.433 84 HG2 GLU 10 1HG GLU 10 -8.874 0.927 -12.104 85 HG3 GLU 10 2HG GLU 10 -9.344 2.270 -11.062 86 H ARG 11 H ARG 11 -5.557 2.667 -8.823 87 HA ARG 11 HA ARG 11 -3.015 2.910 -10.005 88 HB2 ARG 11 1HB ARG 11 -4.293 4.209 -8.037 89 HB3 ARG 11 2HB ARG 11 -3.300 3.148 -7.054 90 HG2 ARG 11 1HG ARG 11 -2.223 5.006 -9.159 91 HG3 ARG 11 2HG ARG 11 -2.347 5.402 -7.448 92 HD2 ARG 11 1HD ARG 11 -0.148 4.714 -7.652 93 HD3 ARG 11 2HD ARG 11 -0.965 3.261 -7.090 94 HE ARG 11 HE ARG 11 -0.743 2.316 -9.239 95 HH11 ARG 11 1HH1 ARG 11 0.829 5.447 -8.955 96 HH12 ARG 11 2HH1 ARG 11 1.816 5.201 -10.369 97 HH21 ARG 11 1HH2 ARG 11 0.556 2.013 -11.082 98 HH22 ARG 11 2HH2 ARG 11 1.659 3.256 -11.572 99 H ILE 12 H ILE 12 -4.171 0.936 -7.283 100 HA ILE 12 HA ILE 12 -1.597 -0.331 -7.025 101 HB ILE 12 HB ILE 12 -2.585 -1.575 -5.178 102 HG12 ILE 12 1HG1 ILE 12 -5.147 -0.105 -5.845 103 HG13 ILE 12 2HG1 ILE 12 -4.871 -1.821 -6.131 104 HG21 ILE 12 1HG2 ILE 12 -3.076 0.374 -3.758 105 HG22 ILE 12 2HG2 ILE 12 -3.205 1.371 -5.207 106 HG23 ILE 12 3HG2 ILE 12 -1.663 0.622 -4.785 107 HD11 ILE 12 1HD1 ILE 12 -4.583 -2.169 -3.729 108 HD12 ILE 12 2HD1 ILE 12 -6.157 -1.471 -4.111 109 HD13 ILE 12 3HD1 ILE 12 -4.877 -0.451 -3.454 110 H GLY 13 H GLY 13 -4.417 -0.934 -8.823 111 HA2 GLY 13 1HA GLY 13 -4.360 -2.459 -10.630 112 HA3 GLY 13 2HA GLY 13 -3.161 -3.404 -9.761 113 H LEU 14 H LEU 14 -5.988 -2.315 -8.102 114 HA LEU 14 HA LEU 14 -7.079 -5.043 -8.246 115 HB2 LEU 14 1HB LEU 14 -6.918 -3.139 -5.938 116 HB3 LEU 14 2HB LEU 14 -8.160 -4.372 -5.990 117 HG LEU 14 HG LEU 14 -6.453 -5.282 -4.675 118 HD11 LEU 14 1HD1 LEU 14 -5.974 -6.362 -7.438 119 HD12 LEU 14 2HD1 LEU 14 -7.327 -6.799 -6.394 120 HD13 LEU 14 3HD1 LEU 14 -5.676 -7.188 -5.909 121 HD21 LEU 14 1HD2 LEU 14 -4.685 -3.711 -5.187 122 HD22 LEU 14 2HD2 LEU 14 -4.474 -4.444 -6.777 123 HD23 LEU 14 3HD2 LEU 14 -4.114 -5.372 -5.321 124 H GLU 15 H GLU 15 -7.612 -2.824 -9.992 125 HA GLU 15 HA GLU 15 -10.033 -1.548 -9.444 126 HB2 GLU 15 1HB GLU 15 -10.216 -1.256 -11.882 127 HB3 GLU 15 2HB GLU 15 -8.616 -0.858 -11.277 128 HG2 GLU 15 1HG GLU 15 -7.742 -2.952 -12.067 129 HG3 GLU 15 2HG GLU 15 -9.351 -3.473 -12.560 130 H GLU 16 H GLU 16 -9.361 -4.806 -10.205 131 HA GLU 16 HA GLU 16 -11.825 -5.662 -11.235 132 HB2 GLU 16 1HB GLU 16 -11.126 -7.888 -10.481 133 HB3 GLU 16 2HB GLU 16 -9.803 -7.040 -11.271 134 HG2 GLU 16 1HG GLU 16 -8.925 -6.422 -9.045 135 HG3 GLU 16 2HG GLU 16 -10.206 -7.383 -8.309 136 H HIS 17 H HIS 17 -10.895 -4.635 -8.099 137 HA HIS 17 HA HIS 17 -13.341 -5.799 -6.955 138 HB2 HIS 17 1HB HIS 17 -10.636 -5.331 -5.745 139 HB3 HIS 17 2HB HIS 17 -12.066 -5.434 -4.729 140 HD1 HIS 17 HD1 HIS 17 -13.579 -7.761 -5.611 141 HD2 HIS 17 HD2 HIS 17 -9.417 -7.736 -5.775 142 HE1 HIS 17 HE1 HIS 17 -12.887 -10.179 -5.628 143 HE2 HIS 17 HE2 HIS 17 -10.364 -10.159 -5.676 144 H THR 18 H THR 18 -12.450 -3.021 -8.218 145 HA THR 18 HA THR 18 -12.803 -1.071 -6.257 146 HB THR 18 HB THR 18 -13.870 -0.809 -9.057 147 HG1 THR 18 HG1 THR 18 -11.889 -1.068 -9.710 148 HG21 THR 18 1HG2 THR 18 -13.193 1.543 -8.735 149 HG22 THR 18 2HG2 THR 18 -12.712 1.154 -7.083 150 HG23 THR 18 3HG2 THR 18 -14.404 1.020 -7.565 151 H SER 19 H SER 19 -15.180 -2.699 -8.297 152 HA SER 19 HA SER 19 -17.463 -1.440 -7.263 153 HB2 SER 19 1HB SER 19 -17.422 -2.747 -9.364 154 HB3 SER 19 2HB SER 19 -17.213 -4.222 -8.425 155 HG SER 19 HG SER 19 -19.292 -4.265 -8.238 156 H THR 20 H THR 20 -15.617 -4.248 -6.217 157 HA THR 20 HA THR 20 -17.392 -5.269 -4.314 158 HB THR 20 HB THR 20 -14.400 -5.231 -3.958 159 HG1 THR 20 HG1 THR 20 -15.991 -6.773 -5.744 160 HG21 THR 20 1HG2 THR 20 -14.783 -7.407 -2.920 161 HG22 THR 20 2HG2 THR 20 -16.507 -7.280 -3.267 162 HG23 THR 20 3HG2 THR 20 -15.752 -6.161 -2.131 163 H LEU 21 H LEU 21 -14.688 -2.992 -3.906 164 HA LEU 21 HA LEU 21 -15.176 -2.358 -1.220 165 HB2 LEU 21 1HB LEU 21 -13.796 -0.949 -3.476 166 HB3 LEU 21 2HB LEU 21 -14.033 -0.119 -1.958 167 HG LEU 21 HG LEU 21 -11.852 -0.965 -1.865 168 HD11 LEU 21 1HD1 LEU 21 -13.162 -1.369 0.165 169 HD12 LEU 21 2HD1 LEU 21 -11.872 -2.551 -0.059 170 HD13 LEU 21 3HD1 LEU 21 -13.540 -2.989 -0.422 171 HD21 LEU 21 1HD2 LEU 21 -11.982 -2.496 -3.753 172 HD22 LEU 21 2HD2 LEU 21 -12.901 -3.636 -2.767 173 HD23 LEU 21 3HD2 LEU 21 -11.228 -3.261 -2.353 174 H LEU 22 H LEU 22 -16.132 -0.709 -4.186 175 HA LEU 22 HA LEU 22 -17.445 1.481 -3.161 176 HB2 LEU 22 1HB LEU 22 -16.859 0.901 -5.562 177 HB3 LEU 22 2HB LEU 22 -18.319 -0.066 -5.590 178 HG LEU 22 HG LEU 22 -19.625 1.993 -5.075 179 HD11 LEU 22 1HD1 LEU 22 -16.964 3.325 -5.541 180 HD12 LEU 22 2HD1 LEU 22 -17.890 3.315 -4.041 181 HD13 LEU 22 3HD1 LEU 22 -18.516 4.157 -5.457 182 HD21 LEU 22 1HD2 LEU 22 -17.930 2.062 -7.567 183 HD22 LEU 22 2HD2 LEU 22 -19.464 2.900 -7.339 184 HD23 LEU 22 3HD2 LEU 22 -19.416 1.137 -7.349 185 H LEU 23 H LEU 23 -18.828 -1.695 -3.949 186 HA LEU 23 HA LEU 23 -21.481 -0.948 -3.233 187 HB2 LEU 23 1HB LEU 23 -20.281 -3.684 -3.614 188 HB3 LEU 23 2HB LEU 23 -21.992 -3.326 -3.526 189 HG LEU 23 HG LEU 23 -20.095 -2.430 -5.694 190 HD11 LEU 23 1HD1 LEU 23 -21.395 -3.909 -7.124 191 HD12 LEU 23 2HD1 LEU 23 -22.367 -4.406 -5.738 192 HD13 LEU 23 3HD1 LEU 23 -20.649 -4.798 -5.796 193 HD21 LEU 23 1HD2 LEU 23 -21.786 -0.736 -5.289 194 HD22 LEU 23 2HD2 LEU 23 -23.056 -1.957 -5.380 195 HD23 LEU 23 3HD2 LEU 23 -22.101 -1.569 -6.812 196 H ASN 24 H ASN 24 -18.770 -2.086 -1.460 197 HA ASN 24 HA ASN 24 -20.466 -2.976 0.740 198 HB2 ASN 24 1HB ASN 24 -17.579 -3.349 0.078 199 HB3 ASN 24 2HB ASN 24 -18.113 -3.521 1.746 200 HD21 ASN 24 1HD2 ASN 24 -18.239 -4.824 -1.455 201 HD22 ASN 24 2HD2 ASN 24 -18.965 -6.344 -1.037 202 H GLY 25 H GLY 25 -19.601 -0.119 -0.263 203 HA2 GLY 25 1HA GLY 25 -20.278 1.723 1.114 204 HA3 GLY 25 2HA GLY 25 -19.608 0.883 2.502 205 H TYR 26 H TYR 26 -17.352 0.347 0.310 206 HA TYR 26 HA TYR 26 -15.724 2.549 1.278 207 HB2 TYR 26 1HB TYR 26 -15.020 0.125 -0.376 208 HB3 TYR 26 2HB TYR 26 -13.859 1.290 0.257 209 HD1 TYR 26 HD1 TYR 26 -15.861 -1.619 0.958 210 HD2 TYR 26 HD2 TYR 26 -13.591 1.505 2.733 211 HE1 TYR 26 HE1 TYR 26 -15.757 -2.894 3.053 212 HE2 TYR 26 HE2 TYR 26 -13.473 0.237 4.833 213 HH TYR 26 HH TYR 26 -14.849 -1.546 5.970 214 H GLN 27 H GLN 27 -16.725 4.207 0.138 215 HA GLN 27 HA GLN 27 -16.618 4.044 -2.784 216 HB2 GLN 27 1HB GLN 27 -18.143 6.010 -1.082 217 HB3 GLN 27 2HB GLN 27 -18.347 5.708 -2.802 218 HG2 GLN 27 1HG GLN 27 -19.141 3.454 -2.320 219 HG3 GLN 27 2HG GLN 27 -18.912 3.741 -0.600 220 HE21 GLN 27 1HE2 GLN 27 -20.869 4.399 -3.378 221 HE22 GLN 27 2HE2 GLN 27 -22.198 5.098 -2.523 222 H THR 28 H THR 28 -15.173 5.508 -0.098 223 HA THR 28 HA THR 28 -13.791 7.395 -1.878 224 HB THR 28 HB THR 28 -13.659 9.031 -0.083 225 HG1 THR 28 HG1 THR 28 -15.342 7.263 1.413 226 HG21 THR 28 1HG2 THR 28 -15.573 9.218 -1.552 227 HG22 THR 28 2HG2 THR 28 -16.054 9.639 0.091 228 HG23 THR 28 3HG2 THR 28 -16.475 8.060 -0.574 229 H LEU 29 H LEU 29 -11.694 8.144 -0.883 230 HA LEU 29 HA LEU 29 -10.082 5.958 -0.095 231 HB2 LEU 29 1HB LEU 29 -9.545 8.915 0.203 232 HB3 LEU 29 2HB LEU 29 -8.342 7.638 0.250 233 HG LEU 29 HG LEU 29 -10.021 8.362 -2.151 234 HD11 LEU 29 1HD1 LEU 29 -8.395 10.092 -1.620 235 HD12 LEU 29 2HD1 LEU 29 -7.939 9.223 -3.087 236 HD13 LEU 29 3HD1 LEU 29 -7.113 8.883 -1.565 237 HD21 LEU 29 1HD2 LEU 29 -8.591 6.838 -3.367 238 HD22 LEU 29 2HD2 LEU 29 -9.416 5.993 -2.058 239 HD23 LEU 29 3HD2 LEU 29 -7.718 6.442 -1.888 240 H GLU 30 H GLU 30 -11.925 8.346 1.600 241 HA GLU 30 HA GLU 30 -10.798 8.074 4.171 242 HB2 GLU 30 1HB GLU 30 -13.594 8.874 3.356 243 HB3 GLU 30 2HB GLU 30 -12.905 9.098 4.958 244 HG2 GLU 30 1HG GLU 30 -11.229 10.601 4.047 245 HG3 GLU 30 2HG GLU 30 -11.870 10.349 2.425 246 H ASP 31 H ASP 31 -13.187 6.261 2.389 247 HA ASP 31 HA ASP 31 -13.936 4.638 4.654 248 HB2 ASP 31 1HB ASP 31 -14.433 4.181 1.703 249 HB3 ASP 31 2HB ASP 31 -15.184 3.297 3.024 250 H PHE 32 H PHE 32 -11.904 4.347 1.795 251 HA PHE 32 HA PHE 32 -11.358 1.605 2.095 252 HB2 PHE 32 1HB PHE 32 -11.085 2.929 -0.008 253 HB3 PHE 32 2HB PHE 32 -9.626 3.630 0.683 254 HD1 PHE 32 HD1 PHE 32 -11.153 0.601 -0.688 255 HD2 PHE 32 HD2 PHE 32 -7.617 2.313 0.927 256 HE1 PHE 32 HE1 PHE 32 -9.850 -1.322 -1.501 257 HE2 PHE 32 HE2 PHE 32 -6.315 0.407 0.119 258 HZ PHE 32 HZ PHE 32 -7.425 -1.416 -1.101 259 H LYS 33 H LYS 33 -9.832 4.440 3.495 260 HA LYS 33 HA LYS 33 -7.472 3.112 4.342 261 HB2 LYS 33 1HB LYS 33 -7.166 5.004 5.867 262 HB3 LYS 33 2HB LYS 33 -7.587 5.539 4.247 263 HG2 LYS 33 1HG LYS 33 -9.863 5.946 4.930 264 HG3 LYS 33 2HG LYS 33 -9.519 5.314 6.540 265 HD2 LYS 33 1HD LYS 33 -9.512 7.736 6.567 266 HD3 LYS 33 2HD LYS 33 -7.894 7.119 6.888 267 HE2 LYS 33 1HE LYS 33 -7.219 7.591 4.625 268 HE3 LYS 33 2HE LYS 33 -8.858 8.070 4.196 269 HZ1 LYS 33 1HZ LYS 33 -7.487 10.002 4.588 270 HZ2 LYS 33 2HZ LYS 33 -7.088 9.446 6.137 271 HZ3 LYS 33 3HZ LYS 33 -8.681 9.899 5.791 272 H GLU 34 H GLU 34 -10.639 2.710 5.255 273 HA GLU 34 HA GLU 34 -9.953 1.730 7.936 274 HB2 GLU 34 1HB GLU 34 -12.713 1.964 6.751 275 HB3 GLU 34 2HB GLU 34 -12.273 1.840 8.448 276 HG2 GLU 34 1HG GLU 34 -11.203 4.067 8.277 277 HG3 GLU 34 2HG GLU 34 -11.800 4.184 6.625 278 H LEU 35 H LEU 35 -9.920 0.685 4.919 279 HA LEU 35 HA LEU 35 -11.411 -1.750 5.058 280 HB2 LEU 35 1HB LEU 35 -10.953 -0.479 2.976 281 HB3 LEU 35 2HB LEU 35 -9.254 -0.857 3.141 282 HG LEU 35 HG LEU 35 -10.590 -2.187 1.452 283 HD11 LEU 35 1HD1 LEU 35 -9.362 -4.216 1.883 284 HD12 LEU 35 2HD1 LEU 35 -9.109 -3.738 3.561 285 HD13 LEU 35 3HD1 LEU 35 -8.358 -2.815 2.257 286 HD21 LEU 35 1HD2 LEU 35 -12.550 -2.542 2.907 287 HD22 LEU 35 2HD2 LEU 35 -11.569 -3.597 3.924 288 HD23 LEU 35 3HD2 LEU 35 -11.897 -4.042 2.250 289 H ARG 36 H ARG 36 -10.778 -3.619 5.900 290 HA ARG 36 HA ARG 36 -7.928 -4.040 6.429 291 HB2 ARG 36 1HB ARG 36 -10.201 -4.570 8.346 292 HB3 ARG 36 2HB ARG 36 -8.533 -5.053 8.612 293 HG2 ARG 36 1HG ARG 36 -9.560 -2.231 8.376 294 HG3 ARG 36 2HG ARG 36 -9.026 -3.041 9.853 295 HD2 ARG 36 1HD ARG 36 -6.779 -3.242 8.953 296 HD3 ARG 36 2HD ARG 36 -7.301 -2.507 7.442 297 HE ARG 36 HE ARG 36 -7.833 -0.799 9.648 298 HH11 ARG 36 1HH1 ARG 36 -5.280 -1.961 7.571 299 HH12 ARG 36 2HH1 ARG 36 -4.281 -0.549 7.779 300 HH21 ARG 36 1HH2 ARG 36 -6.522 1.080 9.910 301 HH22 ARG 36 2HH2 ARG 36 -4.997 1.167 9.088 302 H GLU 37 H GLU 37 -7.535 -6.428 7.069 303 HA GLU 37 HA GLU 37 -8.334 -7.978 4.868 304 HB2 GLU 37 1HB GLU 37 -6.251 -8.357 6.173 305 HB3 GLU 37 2HB GLU 37 -7.229 -8.979 7.495 306 HG2 GLU 37 1HG GLU 37 -8.040 -10.771 6.077 307 HG3 GLU 37 2HG GLU 37 -7.102 -10.139 4.725 308 H THR 38 H THR 38 -9.427 -7.878 8.207 309 HA THR 38 HA THR 38 -11.244 -9.981 8.186 310 HB THR 38 HB THR 38 -11.575 -7.344 9.631 311 HG1 THR 38 HG1 THR 38 -10.466 -8.629 11.347 312 HG21 THR 38 1HG2 THR 38 -12.558 -10.124 10.284 313 HG22 THR 38 2HG2 THR 38 -13.549 -8.777 9.722 314 HG23 THR 38 3HG2 THR 38 -12.765 -8.696 11.299 315 H HIS 39 H HIS 39 -11.461 -6.744 6.914 316 HA HIS 39 HA HIS 39 -14.281 -6.860 6.393 317 HB2 HIS 39 1HB HIS 39 -12.136 -4.942 5.469 318 HB3 HIS 39 2HB HIS 39 -13.845 -4.765 5.076 319 HD1 HIS 39 HD1 HIS 39 -12.573 -2.510 6.642 320 HD2 HIS 39 HD2 HIS 39 -14.333 -5.812 8.445 321 HE1 HIS 39 HE1 HIS 39 -13.115 -1.789 8.978 322 HE2 HIS 39 HE2 HIS 39 -14.043 -3.849 10.096 323 H LEU 40 H LEU 40 -11.304 -7.276 4.541 324 HA LEU 40 HA LEU 40 -12.451 -7.735 2.031 325 HB2 LEU 40 1HB LEU 40 -9.881 -8.260 3.331 326 HB3 LEU 40 2HB LEU 40 -10.278 -9.396 2.059 327 HG LEU 40 HG LEU 40 -10.032 -7.844 0.406 328 HD11 LEU 40 1HD1 LEU 40 -11.798 -6.357 1.070 329 HD12 LEU 40 2HD1 LEU 40 -10.355 -5.414 0.719 330 HD13 LEU 40 3HD1 LEU 40 -10.817 -5.728 2.392 331 HD21 LEU 40 1HD2 LEU 40 -8.143 -6.417 0.867 332 HD22 LEU 40 2HD2 LEU 40 -7.925 -7.974 1.661 333 HD23 LEU 40 3HD2 LEU 40 -8.419 -6.569 2.600 334 H ASN 41 H ASN 41 -11.956 -9.866 4.763 335 HA ASN 41 HA ASN 41 -12.743 -12.259 3.536 336 HB2 ASN 41 1HB ASN 41 -12.987 -11.327 6.397 337 HB3 ASN 41 2HB ASN 41 -13.387 -12.961 5.879 338 HD21 ASN 41 1HD2 ASN 41 -11.372 -12.170 7.756 339 HD22 ASN 41 2HD2 ASN 41 -9.853 -12.690 7.120 340 H GLU 42 H GLU 42 -14.569 -9.634 4.949 341 HA GLU 42 HA GLU 42 -17.125 -10.881 4.713 342 HB2 GLU 42 1HB GLU 42 -16.342 -7.983 5.031 343 HB3 GLU 42 2HB GLU 42 -17.977 -8.602 5.176 344 HG2 GLU 42 1HG GLU 42 -15.650 -9.325 6.934 345 HG3 GLU 42 2HG GLU 42 -16.973 -8.238 7.352 346 H LEU 43 H LEU 43 -15.183 -8.721 2.756 347 HA LEU 43 HA LEU 43 -17.181 -8.304 0.744 348 HB2 LEU 43 1HB LEU 43 -14.285 -7.647 1.049 349 HB3 LEU 43 2HB LEU 43 -15.016 -7.542 -0.537 350 HG LEU 43 HG LEU 43 -16.655 -5.921 0.347 351 HD11 LEU 43 1HD1 LEU 43 -16.682 -6.585 2.676 352 HD12 LEU 43 2HD1 LEU 43 -16.276 -4.877 2.514 353 HD13 LEU 43 3HD1 LEU 43 -15.008 -6.056 2.858 354 HD21 LEU 43 1HD2 LEU 43 -13.787 -5.162 0.828 355 HD22 LEU 43 2HD2 LEU 43 -15.127 -4.055 0.515 356 HD23 LEU 43 3HD2 LEU 43 -14.599 -5.180 -0.738 357 H ASN 44 H ASN 44 -15.365 -10.900 1.562 358 HA ASN 44 HA ASN 44 -14.993 -12.930 0.653 359 HB2 ASN 44 1HB ASN 44 -17.339 -12.470 -0.292 360 HB3 ASN 44 2HB ASN 44 -16.519 -12.107 -1.805 361 HD21 ASN 44 1HD2 ASN 44 -15.675 -13.766 -3.016 362 HD22 ASN 44 2HD2 ASN 44 -15.929 -15.434 -2.642 363 H ILE 45 H ILE 45 -13.274 -10.634 0.168 364 HA ILE 45 HA ILE 45 -12.000 -11.316 -2.359 365 HB ILE 45 HB ILE 45 -11.150 -9.299 -0.277 366 HG12 ILE 45 1HG1 ILE 45 -12.621 -8.936 -2.896 367 HG13 ILE 45 2HG1 ILE 45 -13.320 -8.751 -1.293 368 HG21 ILE 45 1HG2 ILE 45 -10.212 -9.701 -3.119 369 HG22 ILE 45 2HG2 ILE 45 -9.298 -10.104 -1.666 370 HG23 ILE 45 3HG2 ILE 45 -9.684 -8.420 -2.027 371 HD11 ILE 45 1HD1 ILE 45 -11.851 -6.862 -0.869 372 HD12 ILE 45 2HD1 ILE 45 -12.836 -6.604 -2.307 373 HD13 ILE 45 3HD1 ILE 45 -11.138 -7.052 -2.470 374 H MET 46 H MET 46 -11.558 -13.458 -1.776 375 HA MET 46 HA MET 46 -9.945 -14.074 0.526 376 HB2 MET 46 1HB MET 46 -10.704 -15.816 -1.820 377 HB3 MET 46 2HB MET 46 -10.064 -16.370 -0.280 378 HG2 MET 46 1HG MET 46 -12.656 -14.876 -0.508 379 HG3 MET 46 2HG MET 46 -12.553 -16.624 -0.663 380 HE1 MET 46 1HE MET 46 -12.265 -14.155 3.176 381 HE2 MET 46 2HE MET 46 -12.993 -13.678 1.642 382 HE3 MET 46 3HE MET 46 -11.241 -13.737 1.807 383 H ASP 47 H ASP 47 -9.387 -12.977 -2.564 384 HA ASP 47 HA ASP 47 -7.019 -14.135 -3.428 385 HB2 ASP 47 1HB ASP 47 -7.844 -11.238 -3.595 386 HB3 ASP 47 2HB ASP 47 -6.646 -12.014 -4.617 387 HA PRO 48 HA PRO 48 -4.742 -13.068 0.301 388 HB2 PRO 48 1HB PRO 48 -2.511 -14.402 -1.089 389 HB3 PRO 48 2HB PRO 48 -3.244 -14.762 0.473 390 HG2 PRO 48 1HG PRO 48 -3.651 -16.342 -1.638 391 HG3 PRO 48 2HG PRO 48 -4.929 -16.030 -0.450 392 HD2 PRO 48 1HD PRO 48 -4.549 -14.852 -3.173 393 HD3 PRO 48 2HD PRO 48 -6.038 -15.397 -2.378 394 H GLN 49 H GLN 49 -2.943 -12.838 -2.796 395 HA GLN 49 HA GLN 49 -1.216 -10.803 -1.822 396 HB2 GLN 49 1HB GLN 49 -1.850 -11.798 -4.589 397 HB3 GLN 49 2HB GLN 49 -0.774 -10.436 -4.324 398 HG2 GLN 49 1HG GLN 49 0.709 -11.822 -3.010 399 HG3 GLN 49 2HG GLN 49 -0.384 -13.190 -3.179 400 HE21 GLN 49 1HE2 GLN 49 1.993 -11.209 -4.726 401 HE22 GLN 49 2HE2 GLN 49 2.196 -12.189 -6.134 402 H HIS 50 H HIS 50 -4.265 -10.807 -3.537 403 HA HIS 50 HA HIS 50 -4.312 -8.035 -4.134 404 HB2 HIS 50 1HB HIS 50 -6.580 -9.986 -3.775 405 HB3 HIS 50 2HB HIS 50 -6.765 -8.361 -4.412 406 HD1 HIS 50 HD1 HIS 50 -7.744 -10.167 -6.407 407 HD2 HIS 50 HD2 HIS 50 -3.643 -9.633 -5.964 408 HE1 HIS 50 HE1 HIS 50 -6.728 -10.887 -8.584 409 HE2 HIS 50 HE2 HIS 50 -4.254 -10.507 -8.321 410 H ARG 51 H ARG 51 -5.604 -9.963 -1.473 411 HA ARG 51 HA ARG 51 -6.639 -7.991 0.162 412 HB2 ARG 51 1HB ARG 51 -5.145 -10.534 0.766 413 HB3 ARG 51 2HB ARG 51 -5.730 -9.495 2.057 414 HG2 ARG 51 1HG ARG 51 -7.935 -9.963 1.613 415 HG3 ARG 51 2HG ARG 51 -7.611 -10.411 -0.061 416 HD2 ARG 51 1HD ARG 51 -8.179 -12.317 1.482 417 HD3 ARG 51 2HD ARG 51 -6.682 -12.487 0.574 418 HE ARG 51 HE ARG 51 -6.267 -11.350 3.169 419 HH11 ARG 51 1HH1 ARG 51 -6.748 -14.353 1.438 420 HH12 ARG 51 2HH1 ARG 51 -5.902 -15.314 2.606 421 HH21 ARG 51 1HH2 ARG 51 -5.135 -12.606 4.715 422 HH22 ARG 51 2HH2 ARG 51 -4.990 -14.325 4.474 423 H ALA 52 H ALA 52 -3.334 -9.221 0.037 424 HA ALA 52 HA ALA 52 -2.165 -7.629 1.958 425 HB1 ALA 52 1HB ALA 52 -1.115 -9.572 0.891 426 HB2 ALA 52 2HB ALA 52 -0.064 -8.161 0.866 427 HB3 ALA 52 3HB ALA 52 -0.924 -8.642 -0.593 428 H LYS 53 H LYS 53 -2.561 -6.974 -1.516 429 HA LYS 53 HA LYS 53 -1.268 -4.468 -1.494 430 HB2 LYS 53 1HB LYS 53 -3.464 -5.384 -3.357 431 HB3 LYS 53 2HB LYS 53 -2.337 -4.066 -3.644 432 HG2 LYS 53 1HG LYS 53 -0.525 -5.896 -3.344 433 HG3 LYS 53 2HG LYS 53 -1.852 -7.009 -3.676 434 HD2 LYS 53 1HD LYS 53 -0.896 -6.647 -5.769 435 HD3 LYS 53 2HD LYS 53 -2.272 -5.546 -5.756 436 HE2 LYS 53 1HE LYS 53 -0.819 -3.692 -5.187 437 HE3 LYS 53 2HE LYS 53 0.563 -4.786 -5.083 438 HZ1 LYS 53 1HZ LYS 53 0.213 -5.287 -7.466 439 HZ2 LYS 53 2HZ LYS 53 0.611 -3.673 -7.177 440 HZ3 LYS 53 3HZ LYS 53 -0.989 -4.096 -7.518 441 H LEU 54 H LEU 54 -4.713 -5.303 -1.333 442 HA LEU 54 HA LEU 54 -5.757 -2.739 -1.206 443 HB2 LEU 54 1HB LEU 54 -6.749 -5.294 0.043 444 HB3 LEU 54 2HB LEU 54 -7.696 -3.824 -0.061 445 HG LEU 54 HG LEU 54 -6.607 -5.272 -2.470 446 HD11 LEU 54 1HD1 LEU 54 -8.896 -6.091 -2.790 447 HD12 LEU 54 2HD1 LEU 54 -9.341 -5.423 -1.219 448 HD13 LEU 54 3HD1 LEU 54 -8.157 -6.728 -1.322 449 HD21 LEU 54 1HD2 LEU 54 -8.678 -3.109 -2.153 450 HD22 LEU 54 2HD2 LEU 54 -8.276 -3.927 -3.663 451 HD23 LEU 54 3HD2 LEU 54 -7.068 -2.929 -2.853 452 H LEU 55 H LEU 55 -4.699 -4.848 1.445 453 HA LEU 55 HA LEU 55 -5.432 -3.117 3.542 454 HB2 LEU 55 1HB LEU 55 -3.466 -5.367 3.323 455 HB3 LEU 55 2HB LEU 55 -3.549 -4.406 4.782 456 HG LEU 55 HG LEU 55 -5.248 -5.620 5.540 457 HD11 LEU 55 1HD1 LEU 55 -6.805 -4.195 4.403 458 HD12 LEU 55 2HD1 LEU 55 -7.367 -5.864 4.312 459 HD13 LEU 55 3HD1 LEU 55 -6.608 -5.111 2.908 460 HD21 LEU 55 1HD2 LEU 55 -4.916 -7.151 2.971 461 HD22 LEU 55 2HD2 LEU 55 -5.880 -7.694 4.342 462 HD23 LEU 55 3HD2 LEU 55 -4.137 -7.481 4.518 463 H THR 56 H THR 56 -2.436 -3.452 1.710 464 HA THR 56 HA THR 56 -0.891 -1.639 3.229 465 HB THR 56 HB THR 56 -0.620 -2.264 0.290 466 HG1 THR 56 HG1 THR 56 -0.508 -4.201 1.292 467 HG21 THR 56 1HG2 THR 56 0.726 -0.358 1.048 468 HG22 THR 56 2HG2 THR 56 1.742 -1.747 0.651 469 HG23 THR 56 3HG2 THR 56 1.402 -1.358 2.336 470 H ALA 57 H ALA 57 -2.925 -1.258 0.374 471 HA ALA 57 HA ALA 57 -2.409 1.455 -0.075 472 HB1 ALA 57 1HB ALA 57 -3.463 0.218 -1.788 473 HB2 ALA 57 2HB ALA 57 -4.636 1.413 -1.238 474 HB3 ALA 57 3HB ALA 57 -4.780 -0.268 -0.725 475 H ALA 58 H ALA 58 -4.877 -0.186 1.869 476 HA ALA 58 HA ALA 58 -6.189 2.078 2.847 477 HB1 ALA 58 1HB ALA 58 -5.704 -0.535 4.272 478 HB2 ALA 58 2HB ALA 58 -7.013 -0.213 3.131 479 HB3 ALA 58 3HB ALA 58 -6.947 0.655 4.667 480 H GLU 59 H GLU 59 -3.341 0.374 4.041 481 HA GLU 59 HA GLU 59 -2.874 1.797 6.388 482 HB2 GLU 59 1HB GLU 59 -0.920 0.546 4.456 483 HB3 GLU 59 2HB GLU 59 -0.490 1.116 6.057 484 HG2 GLU 59 1HG GLU 59 -2.545 -1.002 5.528 485 HG3 GLU 59 2HG GLU 59 -0.853 -1.332 5.876 486 H LEU 60 H LEU 60 -1.551 2.385 3.129 487 HA LEU 60 HA LEU 60 -0.205 4.742 3.995 488 HB2 LEU 60 1HB LEU 60 -0.479 3.281 1.449 489 HB3 LEU 60 2HB LEU 60 -0.136 4.995 1.322 490 HG LEU 60 HG LEU 60 1.877 4.712 2.679 491 HD11 LEU 60 1HD1 LEU 60 1.187 2.881 4.090 492 HD12 LEU 60 2HD1 LEU 60 2.683 2.471 3.247 493 HD13 LEU 60 3HD1 LEU 60 1.148 1.794 2.699 494 HD21 LEU 60 1HD2 LEU 60 2.239 4.577 0.368 495 HD22 LEU 60 2HD2 LEU 60 1.566 2.952 0.282 496 HD23 LEU 60 3HD2 LEU 60 3.123 3.218 1.068 497 H LEU 61 H LEU 61 -3.407 4.159 2.710 498 HA LEU 61 HA LEU 61 -3.892 6.916 2.100 499 HB2 LEU 61 1HB LEU 61 -5.805 4.687 2.775 500 HB3 LEU 61 2HB LEU 61 -6.301 6.287 2.268 501 HG LEU 61 HG LEU 61 -4.841 4.224 0.634 502 HD11 LEU 61 1HD1 LEU 61 -7.430 5.608 0.044 503 HD12 LEU 61 2HD1 LEU 61 -7.356 4.156 1.035 504 HD13 LEU 61 3HD1 LEU 61 -6.797 4.108 -0.637 505 HD21 LEU 61 1HD2 LEU 61 -4.914 5.876 -1.193 506 HD22 LEU 61 2HD2 LEU 61 -3.876 6.391 0.137 507 HD23 LEU 61 3HD2 LEU 61 -5.485 7.090 -0.048 508 H LEU 62 H LEU 62 -3.992 4.945 4.942 509 HA LEU 62 HA LEU 62 -5.427 6.758 6.593 510 HB2 LEU 62 1HB LEU 62 -5.229 4.344 7.038 511 HB3 LEU 62 2HB LEU 62 -3.511 4.541 7.313 512 HG LEU 62 HG LEU 62 -4.035 6.006 9.254 513 HD11 LEU 62 1HD1 LEU 62 -6.238 6.769 8.573 514 HD12 LEU 62 2HD1 LEU 62 -6.321 5.977 10.146 515 HD13 LEU 62 3HD1 LEU 62 -6.866 5.127 8.700 516 HD21 LEU 62 1HD2 LEU 62 -5.242 3.244 9.326 517 HD22 LEU 62 2HD2 LEU 62 -4.710 4.181 10.722 518 HD23 LEU 62 3HD2 LEU 62 -3.534 3.632 9.528 519 H ASP 63 H ASP 63 -2.015 6.120 5.983 520 HA ASP 63 HA ASP 63 -1.215 8.194 7.848 521 HB2 ASP 63 1HB ASP 63 0.217 6.114 6.259 522 HB3 ASP 63 2HB ASP 63 1.116 7.493 6.876 523 H TYR 64 H TYR 64 -1.050 7.617 4.358 524 HA TYR 64 HA TYR 64 0.139 10.261 3.970 525 HB2 TYR 64 1HB TYR 64 -0.226 7.938 2.075 526 HB3 TYR 64 2HB TYR 64 0.479 9.483 1.618 527 HD1 TYR 64 HD1 TYR 64 2.723 10.024 2.189 528 HD2 TYR 64 HD2 TYR 64 0.950 6.460 3.658 529 HE1 TYR 64 HE1 TYR 64 4.929 9.247 2.924 530 HE2 TYR 64 HE2 TYR 64 3.145 5.661 4.397 531 HH TYR 64 HH TYR 64 5.885 7.683 4.545 532 H ASP 65 H ASP 65 -2.322 10.605 4.794 533 HA ASP 65 HA ASP 65 -4.258 10.639 2.674 534 HB2 ASP 65 1HB ASP 65 -4.860 10.335 5.063 535 HB3 ASP 65 2HB ASP 65 -4.347 11.989 5.380 536 H THR 66 H THR 66 -2.022 11.923 1.838 537 HA THR 66 HA THR 66 -1.130 13.818 0.983 538 HB THR 66 HB THR 66 -2.804 15.297 -0.187 539 HG1 THR 66 HG1 THR 66 -4.489 14.204 1.518 540 HG21 THR 66 1HG2 THR 66 -1.753 13.334 -1.232 541 HG22 THR 66 2HG2 THR 66 -3.396 13.595 -1.815 542 HG23 THR 66 3HG2 THR 66 -3.073 12.330 -0.634 543 H GLY 67 H GLY 67 -1.252 14.022 3.752 544 HA2 GLY 67 1HA GLY 67 -2.365 16.615 4.431 545 HA3 GLY 67 2HA GLY 67 -1.529 15.518 5.520 546 H CYS 68 H CYS 68 -0.286 16.594 2.446 547 HA CYS 68 HA CYS 68 1.540 17.761 1.814 548 HB2 CYS 68 1HB CYS 68 1.083 19.208 4.422 549 HB3 CYS 68 2HB CYS 68 2.158 19.747 3.139 550 H GLU 69 H GLU 69 3.843 18.273 2.371 551 HA GLU 69 HA GLU 69 4.911 16.061 3.932 552 HB2 GLU 69 1HB GLU 69 7.089 16.719 2.855 553 HB3 GLU 69 2HB GLU 69 5.835 16.192 1.743 554 HG2 GLU 69 1HG GLU 69 5.342 18.534 1.217 555 HG3 GLU 69 2HG GLU 69 6.633 19.037 2.306 556 H1 GLY 1 1H GLY 1 1.089 9.405 9.834 557 H2 GLY 1 2H GLY 1 2.575 9.396 10.642 558 H3 GLY 1 3H GLY 1 2.019 7.991 9.873 559 HA2 GLY 1 2HA GLY 1 2.267 8.956 7.730 560 HA3 GLY 1 1HA GLY 1 2.638 10.514 8.449 561 HA PRO 2 HA PRO 2 6.457 7.436 8.836 562 HB2 PRO 2 1HB PRO 2 6.229 6.299 6.131 563 HB3 PRO 2 2HB PRO 2 6.624 5.499 7.655 564 HG2 PRO 2 1HG PRO 2 4.261 5.128 6.439 565 HG3 PRO 2 2HG PRO 2 4.414 5.160 8.207 566 HD2 PRO 2 1HD PRO 2 3.426 7.282 6.349 567 HD3 PRO 2 2HD PRO 2 2.825 6.815 7.953 568 H LYS 3 H LYS 3 7.868 9.039 8.634 569 HA LYS 3 HA LYS 3 8.056 10.581 6.192 570 HB2 LYS 3 1HB LYS 3 9.704 10.738 8.716 571 HB3 LYS 3 2HB LYS 3 9.694 11.914 7.413 572 HG2 LYS 3 1HG LYS 3 7.325 11.236 9.137 573 HG3 LYS 3 2HG LYS 3 8.387 12.622 9.376 574 HD2 LYS 3 1HD LYS 3 6.740 12.096 6.900 575 HD3 LYS 3 2HD LYS 3 6.299 13.208 8.195 576 HE2 LYS 3 1HE LYS 3 8.436 14.434 7.753 577 HE3 LYS 3 2HE LYS 3 8.668 13.403 6.343 578 HZ1 LYS 3 1HZ LYS 3 7.661 15.485 5.714 579 HZ2 LYS 3 2HZ LYS 3 6.386 15.245 6.799 580 HZ3 LYS 3 3HZ LYS 3 6.560 14.226 5.462 581 H THR 4 H THR 4 9.490 7.821 7.563 582 HA THR 4 HA THR 4 11.693 8.000 5.641 583 HB THR 4 HB THR 4 13.099 6.713 7.220 584 HG1 THR 4 HG1 THR 4 12.239 6.850 9.493 585 HG21 THR 4 1HG2 THR 4 13.314 9.137 7.129 586 HG22 THR 4 2HG2 THR 4 13.542 8.560 8.781 587 HG23 THR 4 3HG2 THR 4 12.015 9.310 8.310 588 H LEU 5 H LEU 5 12.664 5.880 5.146 589 HA LEU 5 HA LEU 5 10.795 4.140 4.037 590 HB2 LEU 5 1HB LEU 5 13.201 4.516 3.382 591 HB3 LEU 5 2HB LEU 5 13.663 3.515 4.741 592 HG LEU 5 HG LEU 5 13.582 2.504 2.361 593 HD11 LEU 5 1HD1 LEU 5 12.907 0.319 3.275 594 HD12 LEU 5 2HD1 LEU 5 12.330 1.135 4.730 595 HD13 LEU 5 3HD1 LEU 5 14.043 1.181 4.313 596 HD21 LEU 5 1HD2 LEU 5 10.680 2.322 3.133 597 HD22 LEU 5 2HD2 LEU 5 11.441 1.549 1.744 598 HD23 LEU 5 3HD2 LEU 5 11.339 3.308 1.830 599 H HIS 6 H HIS 6 12.781 3.812 6.944 600 HA HIS 6 HA HIS 6 12.047 1.280 7.763 601 HB2 HIS 6 1HB HIS 6 13.836 2.610 8.790 602 HB3 HIS 6 2HB HIS 6 12.639 3.697 9.475 603 HD1 HIS 6 HD1 HIS 6 11.636 3.063 11.702 604 HD2 HIS 6 HD2 HIS 6 13.844 -0.014 9.979 605 HE1 HIS 6 HE1 HIS 6 11.870 1.304 13.482 606 HE2 HIS 6 HE2 HIS 6 13.304 -0.493 12.458 607 H GLU 7 H GLU 7 10.473 4.364 8.516 608 HA GLU 7 HA GLU 7 8.550 3.239 10.262 609 HB2 GLU 7 1HB GLU 7 8.383 5.829 8.720 610 HB3 GLU 7 2HB GLU 7 7.439 5.399 10.140 611 HG2 GLU 7 1HG GLU 7 10.401 5.886 10.005 612 HG3 GLU 7 2HG GLU 7 9.188 6.904 10.772 613 H LEU 8 H LEU 8 8.671 3.834 6.821 614 HA LEU 8 HA LEU 8 5.937 3.407 6.260 615 HB2 LEU 8 1HB LEU 8 7.654 4.469 4.765 616 HB3 LEU 8 2HB LEU 8 8.291 2.871 4.453 617 HG LEU 8 HG LEU 8 6.716 3.921 2.722 618 HD11 LEU 8 1HD1 LEU 8 7.404 1.616 2.592 619 HD12 LEU 8 2HD1 LEU 8 5.690 1.751 2.203 620 HD13 LEU 8 3HD1 LEU 8 6.189 1.160 3.786 621 HD21 LEU 8 1HD2 LEU 8 4.361 3.652 3.081 622 HD22 LEU 8 2HD2 LEU 8 5.033 4.649 4.372 623 HD23 LEU 8 3HD2 LEU 8 4.646 2.956 4.676 624 H LEU 9 H LEU 9 8.743 1.241 6.219 625 HA LEU 9 HA LEU 9 7.359 -1.061 5.401 626 HB2 LEU 9 1HB LEU 9 9.940 -0.560 6.803 627 HB3 LEU 9 2HB LEU 9 9.313 -2.193 6.760 628 HG LEU 9 HG LEU 9 10.967 -1.699 4.973 629 HD11 LEU 9 1HD1 LEU 9 8.187 -2.361 4.034 630 HD12 LEU 9 2HD1 LEU 9 9.363 -3.495 4.703 631 HD13 LEU 9 3HD1 LEU 9 9.680 -2.704 3.158 632 HD21 LEU 9 1HD2 LEU 9 8.802 0.065 3.857 633 HD22 LEU 9 2HD2 LEU 9 10.343 -0.327 3.093 634 HD23 LEU 9 3HD2 LEU 9 10.311 0.632 4.573 635 H GLU 10 H GLU 10 8.037 0.216 8.641 636 HA GLU 10 HA GLU 10 6.846 -1.930 10.041 637 HB2 GLU 10 1HB GLU 10 7.178 0.957 10.847 638 HB3 GLU 10 2HB GLU 10 6.660 -0.324 11.932 639 HG2 GLU 10 1HG GLU 10 8.834 -1.482 11.386 640 HG3 GLU 10 2HG GLU 10 9.330 0.025 10.612 641 H ARG 11 H ARG 11 5.550 0.905 8.497 642 HA ARG 11 HA ARG 11 3.008 0.959 9.704 643 HB2 ARG 11 1HB ARG 11 4.316 2.585 8.017 644 HB3 ARG 11 2HB ARG 11 3.307 1.747 6.851 645 HG2 ARG 11 1HG ARG 11 2.257 3.195 9.269 646 HG3 ARG 11 2HG ARG 11 2.393 3.904 7.664 647 HD2 ARG 11 1HD ARG 11 0.182 3.227 7.737 648 HD3 ARG 11 2HD ARG 11 0.976 1.894 6.908 649 HE ARG 11 HE ARG 11 0.734 0.562 8.838 650 HH11 ARG 11 1HH1 ARG 11 -0.777 3.721 9.167 651 HH12 ARG 11 2HH1 ARG 11 -1.764 3.223 10.510 652 HH21 ARG 11 1HH2 ARG 11 -0.579 -0.067 10.582 653 HH22 ARG 11 2HH2 ARG 11 -1.651 1.082 11.311 654 H ILE 12 H ILE 12 4.138 -0.474 6.653 655 HA ILE 12 HA ILE 12 1.547 -1.631 6.161 656 HB ILE 12 HB ILE 12 2.516 -2.516 4.111 657 HG12 ILE 12 1HG1 ILE 12 5.103 -1.244 5.042 658 HG13 ILE 12 2HG1 ILE 12 4.798 -2.977 4.996 659 HG21 ILE 12 1HG2 ILE 12 3.046 -0.341 3.086 660 HG22 ILE 12 2HG2 ILE 12 3.189 0.359 4.698 661 HG23 ILE 12 3HG2 ILE 12 1.634 -0.268 4.144 662 HD11 ILE 12 1HD1 ILE 12 4.507 -2.856 2.572 663 HD12 ILE 12 2HD1 ILE 12 6.094 -2.273 3.078 664 HD13 ILE 12 3HD1 ILE 12 4.834 -1.122 2.629 665 H GLY 13 H GLY 13 4.353 -2.609 7.806 666 HA2 GLY 13 1HA GLY 13 4.259 -4.446 9.288 667 HA3 GLY 13 2HA GLY 13 3.059 -5.194 8.251 668 H LEU 14 H LEU 14 5.899 -3.854 6.825 669 HA LEU 14 HA LEU 14 6.949 -6.578 6.458 670 HB2 LEU 14 1HB LEU 14 6.824 -4.267 4.554 671 HB3 LEU 14 2HB LEU 14 8.045 -5.509 4.368 672 HG LEU 14 HG LEU 14 6.326 -6.123 2.905 673 HD11 LEU 14 1HD1 LEU 14 5.822 -7.697 5.414 674 HD12 LEU 14 2HD1 LEU 14 7.170 -7.954 4.304 675 HD13 LEU 14 3HD1 LEU 14 5.512 -8.214 3.757 676 HD21 LEU 14 1HD2 LEU 14 4.584 -4.647 3.712 677 HD22 LEU 14 2HD2 LEU 14 4.358 -5.670 5.133 678 HD23 LEU 14 3HD2 LEU 14 3.985 -6.293 3.525 679 H GLU 15 H GLU 15 7.520 -4.745 8.597 680 HA GLU 15 HA GLU 15 9.960 -3.427 8.290 681 HB2 GLU 15 1HB GLU 15 10.151 -3.605 10.740 682 HB3 GLU 15 2HB GLU 15 8.559 -3.068 10.224 683 HG2 GLU 15 1HG GLU 15 7.649 -5.266 10.602 684 HG3 GLU 15 2HG GLU 15 9.247 -5.889 11.006 685 H GLU 16 H GLU 16 9.234 -6.757 8.423 686 HA GLU 16 HA GLU 16 11.683 -7.839 9.265 687 HB2 GLU 16 1HB GLU 16 10.943 -9.869 8.104 688 HB3 GLU 16 2HB GLU 16 9.633 -9.163 9.045 689 HG2 GLU 16 1HG GLU 16 8.774 -8.109 6.983 690 HG3 GLU 16 2HG GLU 16 10.038 -8.932 6.071 691 H HIS 17 H HIS 17 10.781 -6.204 6.394 692 HA HIS 17 HA HIS 17 13.201 -7.178 5.038 693 HB2 HIS 17 1HB HIS 17 10.508 -6.441 3.944 694 HB3 HIS 17 2HB HIS 17 11.936 -6.376 2.925 695 HD1 HIS 17 HD1 HIS 17 13.406 -8.856 3.360 696 HD2 HIS 17 HD2 HIS 17 9.244 -8.787 3.516 697 HE1 HIS 17 HE1 HIS 17 12.669 -11.217 2.902 698 HE2 HIS 17 HE2 HIS 17 10.149 -11.161 2.956 699 H THR 18 H THR 18 12.360 -4.685 6.811 700 HA THR 18 HA THR 18 12.741 -2.399 5.254 701 HB THR 18 HB THR 18 13.808 -2.688 8.051 702 HG1 THR 18 HG1 THR 18 11.820 -3.071 8.622 703 HG21 THR 18 1HG2 THR 18 13.168 -0.308 8.180 704 HG22 THR 18 2HG2 THR 18 12.685 -0.370 6.486 705 HG23 THR 18 3HG2 THR 18 14.374 -0.618 6.931 706 H SER 19 H SER 19 15.088 -4.434 6.931 707 HA SER 19 HA SER 19 17.391 -3.024 6.162 708 HB2 SER 19 1HB SER 19 17.336 -4.706 7.973 709 HB3 SER 19 2HB SER 19 17.096 -5.971 6.773 710 HG SER 19 HG SER 19 19.171 -6.025 6.580 711 H THR 20 H THR 20 15.511 -5.563 4.608 712 HA THR 20 HA THR 20 17.265 -6.227 2.537 713 HB THR 20 HB THR 20 14.272 -6.073 2.201 714 HG1 THR 20 HG1 THR 20 15.839 -7.950 3.659 715 HG21 THR 20 1HG2 THR 20 14.623 -8.016 0.764 716 HG22 THR 20 2HG2 THR 20 16.349 -7.984 1.125 717 HG23 THR 20 3HG2 THR 20 15.611 -6.656 0.228 718 H LEU 21 H LEU 21 14.601 -3.868 2.578 719 HA LEU 21 HA LEU 21 15.103 -2.742 0.059 720 HB2 LEU 21 1HB LEU 21 13.741 -1.763 2.542 721 HB3 LEU 21 2HB LEU 21 13.995 -0.665 1.210 722 HG LEU 21 HG LEU 21 11.800 -1.441 0.961 723 HD11 LEU 21 1HD1 LEU 21 13.105 -1.474 -1.110 724 HD12 LEU 21 2HD1 LEU 21 11.797 -2.657 -1.113 725 HD13 LEU 21 3HD1 LEU 21 13.458 -3.181 -0.843 726 HD21 LEU 21 1HD2 LEU 21 11.902 -3.306 2.523 727 HD22 LEU 21 2HD2 LEU 21 12.801 -4.254 1.337 728 HD23 LEU 21 3HD2 LEU 21 11.137 -3.775 1.004 729 H LEU 22 H LEU 22 16.082 -1.702 3.285 730 HA LEU 22 HA LEU 22 17.431 0.621 2.690 731 HB2 LEU 22 1HB LEU 22 16.831 -0.391 4.936 732 HB3 LEU 22 2HB LEU 22 18.272 -1.373 4.781 733 HG LEU 22 HG LEU 22 19.618 0.723 4.663 734 HD11 LEU 22 1HD1 LEU 22 16.978 1.988 5.376 735 HD12 LEU 22 2HD1 LEU 22 17.907 2.247 3.901 736 HD13 LEU 22 3HD1 LEU 22 18.544 2.795 5.450 737 HD21 LEU 22 1HD2 LEU 22 17.913 0.345 7.120 738 HD22 LEU 22 2HD2 LEU 22 19.463 1.185 7.058 739 HD23 LEU 22 3HD2 LEU 22 19.383 -0.548 6.731 740 H LEU 23 H LEU 23 18.762 -2.666 2.859 741 HA LEU 23 HA LEU 23 21.430 -1.843 2.293 742 HB2 LEU 23 1HB LEU 23 20.179 -4.580 2.149 743 HB3 LEU 23 2HB LEU 23 21.895 -4.243 2.128 744 HG LEU 23 HG LEU 23 20.012 -3.742 4.430 745 HD11 LEU 23 1HD1 LEU 23 21.288 -5.488 5.550 746 HD12 LEU 23 2HD1 LEU 23 22.253 -5.728 4.095 747 HD13 LEU 23 3HD1 LEU 23 20.527 -6.097 4.080 748 HD21 LEU 23 1HD2 LEU 23 21.733 -2.032 4.352 749 HD22 LEU 23 2HD2 LEU 23 22.982 -3.267 4.208 750 HD23 LEU 23 3HD2 LEU 23 22.033 -3.143 5.689 751 H ASN 24 H ASN 24 18.702 -2.569 0.342 752 HA ASN 24 HA ASN 24 20.384 -3.062 -1.988 753 HB2 ASN 24 1HB ASN 24 17.491 -3.504 -1.403 754 HB3 ASN 24 2HB ASN 24 18.022 -3.366 -3.075 755 HD21 ASN 24 1HD2 ASN 24 18.117 -5.261 -0.186 756 HD22 ASN 24 2HD2 ASN 24 18.836 -6.677 -0.884 757 H GLY 25 H GLY 25 19.556 -0.432 -0.461 758 HA2 GLY 25 1HA GLY 25 20.272 1.625 -1.463 759 HA3 GLY 25 2HA GLY 25 19.597 1.073 -2.986 760 H TYR 26 H TYR 26 17.326 0.168 -0.933 761 HA TYR 26 HA TYR 26 15.736 2.539 -1.466 762 HB2 TYR 26 1HB TYR 26 14.990 -0.140 -0.300 763 HB3 TYR 26 2HB TYR 26 13.850 1.144 -0.698 764 HD1 TYR 26 HD1 TYR 26 15.808 -1.610 -1.942 765 HD2 TYR 26 HD2 TYR 26 13.585 1.826 -3.088 766 HE1 TYR 26 HE1 TYR 26 15.685 -2.464 -4.240 767 HE2 TYR 26 HE2 TYR 26 13.448 0.980 -5.388 768 HH TYR 26 HH TYR 26 14.778 -0.569 -6.844 769 H GLN 27 H GLN 27 16.768 3.933 -0.035 770 HA GLN 27 HA GLN 27 16.646 3.220 2.804 771 HB2 GLN 27 1HB GLN 27 18.210 5.446 1.505 772 HB3 GLN 27 2HB GLN 27 18.400 4.822 3.138 773 HG2 GLN 27 1HG GLN 27 19.157 2.687 2.243 774 HG3 GLN 27 2HG GLN 27 18.941 3.293 0.606 775 HE21 GLN 27 1HE2 GLN 27 20.890 3.398 3.463 776 HE22 GLN 27 2HE2 GLN 27 22.230 4.223 2.758 777 H THR 28 H THR 28 15.231 5.193 0.447 778 HA THR 28 HA THR 28 13.879 6.729 2.557 779 HB THR 28 HB THR 28 13.773 8.675 1.105 780 HG1 THR 28 HG1 THR 28 15.431 7.202 -0.702 781 HG21 THR 28 1HG2 THR 28 15.685 8.554 2.580 782 HG22 THR 28 2HG2 THR 28 16.179 9.267 1.045 783 HG23 THR 28 3HG2 THR 28 16.570 7.584 1.403 784 H LEU 29 H LEU 29 11.796 7.698 1.715 785 HA LEU 29 HA LEU 29 10.150 5.717 0.540 786 HB2 LEU 29 1HB LEU 29 9.662 8.686 0.814 787 HB3 LEU 29 2HB LEU 29 8.436 7.463 0.528 788 HG LEU 29 HG LEU 29 10.129 7.689 3.016 789 HD11 LEU 29 1HD1 LEU 29 8.531 9.514 2.825 790 HD12 LEU 29 2HD1 LEU 29 8.059 8.393 4.103 791 HD13 LEU 29 3HD1 LEU 29 7.230 8.357 2.546 792 HD21 LEU 29 1HD2 LEU 29 8.670 5.988 3.928 793 HD22 LEU 29 2HD2 LEU 29 9.482 5.390 2.481 794 HD23 LEU 29 3HD2 LEU 29 7.792 5.893 2.402 795 H GLU 30 H GLU 30 12.029 8.358 -0.671 796 HA GLU 30 HA GLU 30 10.911 8.592 -3.249 797 HB2 GLU 30 1HB GLU 30 13.718 9.175 -2.296 798 HB3 GLU 30 2HB GLU 30 13.034 9.713 -3.825 799 HG2 GLU 30 1HG GLU 30 11.380 11.037 -2.638 800 HG3 GLU 30 2HG GLU 30 12.021 10.474 -1.097 801 H ASP 31 H ASP 31 13.268 6.437 -1.841 802 HA ASP 31 HA ASP 31 13.992 5.261 -4.374 803 HB2 ASP 31 1HB ASP 31 14.475 4.240 -1.567 804 HB3 ASP 31 2HB ASP 31 15.211 3.609 -3.033 805 H PHE 32 H PHE 32 11.949 4.468 -1.621 806 HA PHE 32 HA PHE 32 11.355 1.844 -2.438 807 HB2 PHE 32 1HB PHE 32 11.102 2.746 -0.121 808 HB3 PHE 32 2HB PHE 32 9.656 3.590 -0.663 809 HD1 PHE 32 HD1 PHE 32 11.128 0.330 0.105 810 HD2 PHE 32 HD2 PHE 32 7.625 2.378 -1.152 811 HE1 PHE 32 HE1 PHE 32 9.791 -1.688 0.540 812 HE2 PHE 32 HE2 PHE 32 6.291 0.374 -0.719 813 HZ PHE 32 HZ PHE 32 7.367 -1.663 0.131 814 H LYS 33 H LYS 33 9.880 4.919 -3.270 815 HA LYS 33 HA LYS 33 7.501 3.815 -4.353 816 HB2 LYS 33 1HB LYS 33 7.231 5.967 -5.489 817 HB3 LYS 33 2HB LYS 33 7.657 6.178 -3.798 818 HG2 LYS 33 1HG LYS 33 9.941 6.667 -4.394 819 HG3 LYS 33 2HG LYS 33 9.589 6.358 -6.094 820 HD2 LYS 33 1HD LYS 33 9.627 8.743 -5.653 821 HD3 LYS 33 2HD LYS 33 8.001 8.225 -6.095 822 HE2 LYS 33 1HE LYS 33 7.321 8.256 -3.783 823 HE3 LYS 33 2HE LYS 33 8.963 8.627 -3.270 824 HZ1 LYS 33 1HZ LYS 33 7.620 10.613 -3.285 825 HZ2 LYS 33 2HZ LYS 33 7.206 10.367 -4.909 826 HZ3 LYS 33 3HZ LYS 33 8.804 10.726 -4.493 827 H GLU 34 H GLU 34 10.663 3.534 -5.327 828 HA GLU 34 HA GLU 34 9.967 3.098 -8.147 829 HB2 GLU 34 1HB GLU 34 12.731 3.064 -6.944 830 HB3 GLU 34 2HB GLU 34 12.289 3.273 -8.632 831 HG2 GLU 34 1HG GLU 34 11.263 5.445 -8.048 832 HG3 GLU 34 2HG GLU 34 11.833 5.232 -6.397 833 H LEU 35 H LEU 35 9.916 1.502 -5.382 834 HA LEU 35 HA LEU 35 11.360 -0.890 -5.985 835 HB2 LEU 35 1HB LEU 35 10.920 -0.029 -3.697 836 HB3 LEU 35 2HB LEU 35 9.216 -0.340 -3.928 837 HG LEU 35 HG LEU 35 10.525 -1.990 -2.527 838 HD11 LEU 35 1HD1 LEU 35 9.265 -3.880 -3.335 839 HD12 LEU 35 2HD1 LEU 35 9.025 -3.085 -4.891 840 HD13 LEU 35 3HD1 LEU 35 8.285 -2.416 -3.434 841 HD21 LEU 35 1HD2 LEU 35 12.483 -2.096 -4.025 842 HD22 LEU 35 2HD2 LEU 35 11.486 -2.922 -5.224 843 HD23 LEU 35 3HD2 LEU 35 11.803 -3.682 -3.664 844 H ARG 36 H ARG 36 10.694 -2.553 -7.163 845 HA ARG 36 HA ARG 36 7.840 -2.816 -7.764 846 HB2 ARG 36 1HB ARG 36 10.113 -3.013 -9.747 847 HB3 ARG 36 2HB ARG 36 8.438 -3.408 -10.100 848 HG2 ARG 36 1HG ARG 36 9.510 -0.701 -9.335 849 HG3 ARG 36 2HG ARG 36 8.967 -1.206 -10.937 850 HD2 ARG 36 1HD ARG 36 6.714 -1.534 -10.089 851 HD3 ARG 36 2HD ARG 36 7.246 -1.109 -8.466 852 HE ARG 36 HE ARG 36 7.812 0.984 -10.300 853 HH11 ARG 36 1HH1 ARG 36 5.235 -0.518 -8.486 854 HH12 ARG 36 2HH1 ARG 36 4.252 0.918 -8.425 855 HH21 ARG 36 1HH2 ARG 36 6.528 2.896 -10.193 856 HH22 ARG 36 2HH2 ARG 36 4.995 2.844 -9.383 857 H GLU 37 H GLU 37 7.402 -5.032 -8.836 858 HA GLU 37 HA GLU 37 8.178 -6.987 -6.974 859 HB2 GLU 37 1HB GLU 37 6.090 -7.073 -8.327 860 HB3 GLU 37 2HB GLU 37 7.063 -7.451 -9.742 861 HG2 GLU 37 1HG GLU 37 7.833 -9.496 -8.693 862 HG3 GLU 37 2HG GLU 37 6.905 -9.115 -7.244 863 H THR 38 H THR 38 9.275 -6.278 -10.246 864 HA THR 38 HA THR 38 11.060 -8.374 -10.614 865 HB THR 38 HB THR 38 11.435 -5.519 -11.540 866 HG1 THR 38 HG1 THR 38 10.318 -6.455 -13.468 867 HG21 THR 38 1HG2 THR 38 12.379 -8.140 -12.701 868 HG22 THR 38 2HG2 THR 38 13.388 -6.940 -11.894 869 HG23 THR 38 3HG2 THR 38 12.611 -6.551 -13.429 870 H HIS 39 H HIS 39 11.324 -5.439 -8.753 871 HA HIS 39 HA HIS 39 14.144 -5.700 -8.270 872 HB2 HIS 39 1HB HIS 39 12.033 -3.955 -6.993 873 HB3 HIS 39 2HB HIS 39 13.745 -3.885 -6.582 874 HD1 HIS 39 HD1 HIS 39 12.520 -1.351 -7.682 875 HD2 HIS 39 HD2 HIS 39 14.203 -4.286 -10.093 876 HE1 HIS 39 HE1 HIS 39 13.072 -0.212 -9.841 877 HE2 HIS 39 HE2 HIS 39 13.977 -2.030 -11.332 878 H LEU 40 H LEU 40 11.158 -6.415 -6.532 879 HA LEU 40 HA LEU 40 12.294 -7.356 -4.152 880 HB2 LEU 40 1HB LEU 40 9.719 -7.584 -5.525 881 HB3 LEU 40 2HB LEU 40 10.095 -8.946 -4.492 882 HG LEU 40 HG LEU 40 9.868 -7.734 -2.574 883 HD11 LEU 40 1HD1 LEU 40 11.661 -6.177 -2.945 884 HD12 LEU 40 2HD1 LEU 40 10.233 -5.293 -2.419 885 HD13 LEU 40 3HD1 LEU 40 10.694 -5.292 -4.122 886 HD21 LEU 40 1HD2 LEU 40 8.005 -6.210 -2.753 887 HD22 LEU 40 2HD2 LEU 40 7.760 -7.586 -3.827 888 HD23 LEU 40 3HD2 LEU 40 8.281 -6.036 -4.483 889 H ASN 41 H ASN 41 11.773 -8.918 -7.240 890 HA ASN 41 HA ASN 41 12.518 -11.513 -6.491 891 HB2 ASN 41 1HB ASN 41 12.784 -10.054 -9.120 892 HB3 ASN 41 2HB ASN 41 13.154 -11.762 -8.925 893 HD21 ASN 41 1HD2 ASN 41 11.161 -10.593 -10.615 894 HD22 ASN 41 2HD2 ASN 41 9.632 -11.206 -10.092 895 H GLU 42 H GLU 42 14.388 -8.699 -7.393 896 HA GLU 42 HA GLU 42 16.923 -10.010 -7.388 897 HB2 GLU 42 1HB GLU 42 16.193 -7.090 -7.152 898 HB3 GLU 42 2HB GLU 42 17.818 -7.701 -7.420 899 HG2 GLU 42 1HG GLU 42 15.472 -8.033 -9.272 900 HG3 GLU 42 2HG GLU 42 16.817 -6.915 -9.483 901 H LEU 43 H LEU 43 15.003 -8.240 -5.055 902 HA LEU 43 HA LEU 43 17.007 -8.241 -3.002 903 HB2 LEU 43 1HB LEU 43 14.126 -7.483 -3.173 904 HB3 LEU 43 2HB LEU 43 14.855 -7.695 -1.596 905 HG LEU 43 HG LEU 43 16.524 -5.965 -2.157 906 HD11 LEU 43 1HD1 LEU 43 16.548 -6.176 -4.571 907 HD12 LEU 43 2HD1 LEU 43 16.170 -4.523 -4.089 908 HD13 LEU 43 3HD1 LEU 43 14.884 -5.594 -4.651 909 HD21 LEU 43 1HD2 LEU 43 13.671 -5.081 -2.486 910 HD22 LEU 43 2HD2 LEU 43 15.028 -4.076 -1.969 911 HD23 LEU 43 3HD2 LEU 43 14.478 -5.409 -0.953 912 H ASN 44 H ASN 44 15.151 -10.601 -4.296 913 HA ASN 44 HA ASN 44 14.742 -12.759 -3.790 914 HB2 ASN 44 1HB ASN 44 17.097 -12.527 -2.785 915 HB3 ASN 44 2HB ASN 44 16.284 -12.451 -1.228 916 HD21 ASN 44 1HD2 ASN 44 15.427 -14.293 -0.351 917 HD22 ASN 44 2HD2 ASN 44 15.635 -15.864 -1.046 918 H ILE 45 H ILE 45 13.065 -10.573 -2.875 919 HA ILE 45 HA ILE 45 11.777 -11.703 -0.521 920 HB ILE 45 HB ILE 45 10.963 -9.311 -2.179 921 HG12 ILE 45 1HG1 ILE 45 12.435 -9.475 0.459 922 HG13 ILE 45 2HG1 ILE 45 13.140 -9.002 -1.083 923 HG21 ILE 45 1HG2 ILE 45 10.015 -10.229 0.535 924 HG22 ILE 45 2HG2 ILE 45 9.096 -10.333 -0.966 925 HG23 ILE 45 3HG2 ILE 45 9.510 -8.755 -0.294 926 HD11 ILE 45 1HD1 ILE 45 11.703 -7.040 -1.137 927 HD12 ILE 45 2HD1 ILE 45 12.689 -7.077 0.323 928 HD13 ILE 45 3HD1 ILE 45 10.984 -7.519 0.399 929 H MET 46 H MET 46 11.302 -13.690 -1.507 930 HA MET 46 HA MET 46 9.682 -13.827 -3.880 931 HB2 MET 46 1HB MET 46 10.401 -15.997 -1.908 932 HB3 MET 46 2HB MET 46 9.760 -16.235 -3.526 933 HG2 MET 46 1HG MET 46 12.376 -14.860 -3.014 934 HG3 MET 46 2HG MET 46 12.241 -16.604 -3.193 935 HE1 MET 46 1HE MET 46 12.001 -13.447 -6.496 936 HE2 MET 46 2HE MET 46 12.732 -13.277 -4.901 937 HE3 MET 46 3HE MET 46 10.980 -13.281 -5.072 938 H ASP 47 H ASP 47 9.136 -13.328 -0.641 939 HA ASP 47 HA ASP 47 6.749 -14.585 -0.003 940 HB2 ASP 47 1HB ASP 47 7.627 -11.785 0.706 941 HB3 ASP 47 2HB ASP 47 6.414 -12.720 1.566 942 HA PRO 48 HA PRO 48 4.493 -12.790 -3.457 943 HB2 PRO 48 1HB PRO 48 2.237 -14.326 -2.333 944 HB3 PRO 48 2HB PRO 48 2.962 -14.395 -3.939 945 HG2 PRO 48 1HG PRO 48 3.346 -16.355 -2.174 946 HG3 PRO 48 2HG PRO 48 4.630 -15.838 -3.280 947 HD2 PRO 48 1HD PRO 48 4.259 -15.198 -0.382 948 HD3 PRO 48 2HD PRO 48 5.742 -15.605 -1.267 949 H GLN 49 H GLN 49 2.709 -13.113 -0.363 950 HA GLN 49 HA GLN 49 1.006 -10.911 -0.939 951 HB2 GLN 49 1HB GLN 49 1.618 -12.419 1.587 952 HB3 GLN 49 2HB GLN 49 0.559 -11.019 1.584 953 HG2 GLN 49 1HG GLN 49 -0.935 -12.118 0.028 954 HG3 GLN 49 2HG GLN 49 0.142 -13.508 -0.057 955 HE21 GLN 49 1HE2 GLN 49 -2.211 -11.817 1.829 956 HE22 GLN 49 2HE2 GLN 49 -2.432 -13.040 3.028 957 H HIS 50 H HIS 50 4.048 -11.293 0.743 958 HA HIS 50 HA HIS 50 4.140 -8.686 1.856 959 HB2 HIS 50 1HB HIS 50 6.378 -10.569 1.129 960 HB3 HIS 50 2HB HIS 50 6.584 -9.102 2.068 961 HD1 HIS 50 HD1 HIS 50 7.530 -11.260 3.687 962 HD2 HIS 50 HD2 HIS 50 3.440 -10.612 3.339 963 HE1 HIS 50 HE1 HIS 50 6.497 -12.390 5.668 964 HE2 HIS 50 HE2 HIS 50 4.040 -11.870 5.519 965 H ARG 51 H ARG 51 5.405 -10.093 -1.128 966 HA ARG 51 HA ARG 51 6.476 -7.865 -2.360 967 HB2 ARG 51 1HB ARG 51 4.939 -10.221 -3.431 968 HB3 ARG 51 2HB ARG 51 5.545 -8.968 -4.503 969 HG2 ARG 51 1HG ARG 51 7.742 -9.549 -4.157 970 HG3 ARG 51 2HG ARG 51 7.405 -10.303 -2.599 971 HD2 ARG 51 1HD ARG 51 7.942 -11.886 -4.480 972 HD3 ARG 51 2HD ARG 51 6.444 -12.204 -3.616 973 HE ARG 51 HE ARG 51 6.038 -10.584 -5.939 974 HH11 ARG 51 1HH1 ARG 51 6.486 -13.866 -4.824 975 HH12 ARG 51 2HH1 ARG 51 5.636 -14.577 -6.156 976 HH21 ARG 51 1HH2 ARG 51 4.892 -11.504 -7.699 977 HH22 ARG 51 2HH2 ARG 51 4.731 -13.236 -7.794 978 H ALA 52 H ALA 52 3.153 -9.044 -2.475 979 HA ALA 52 HA ALA 52 2.011 -7.093 -4.047 980 HB1 ALA 52 1HB ALA 52 0.927 -9.186 -3.369 981 HB2 ALA 52 2HB ALA 52 -0.100 -7.787 -3.076 982 HB3 ALA 52 3HB ALA 52 0.746 -8.552 -1.734 983 H LYS 53 H LYS 53 2.414 -7.119 -0.513 984 HA LYS 53 HA LYS 53 1.161 -4.634 -0.055 985 HB2 LYS 53 1HB LYS 53 3.338 -5.924 1.597 986 HB3 LYS 53 2HB LYS 53 2.233 -4.665 2.131 987 HG2 LYS 53 1HG LYS 53 0.390 -6.375 1.494 988 HG3 LYS 53 2HG LYS 53 1.698 -7.552 1.602 989 HD2 LYS 53 1HD LYS 53 0.747 -7.583 3.730 990 HD3 LYS 53 2HD LYS 53 2.141 -6.523 3.923 991 HE2 LYS 53 1HE LYS 53 0.720 -4.569 3.721 992 HE3 LYS 53 2HE LYS 53 -0.680 -5.599 3.414 993 HZ1 LYS 53 1HZ LYS 53 -0.345 -6.549 5.657 994 HZ2 LYS 53 2HZ LYS 53 -0.709 -4.902 5.683 995 HZ3 LYS 53 3HZ LYS 53 0.882 -5.415 5.931 996 H LEU 54 H LEU 54 4.592 -5.482 -0.379 997 HA LEU 54 HA LEU 54 5.676 -2.956 -0.016 998 HB2 LEU 54 1HB LEU 54 6.629 -5.242 -1.730 999 HB3 LEU 54 2HB LEU 54 7.600 -3.836 -1.350 1000 HG LEU 54 HG LEU 54 6.484 -5.699 0.743 1001 HD11 LEU 54 1HD1 LEU 54 8.758 -6.603 0.898 1002 HD12 LEU 54 2HD1 LEU 54 9.218 -5.655 -0.519 1003 HD13 LEU 54 3HD1 LEU 54 8.011 -6.934 -0.665 1004 HD21 LEU 54 1HD2 LEU 54 8.591 -3.550 0.841 1005 HD22 LEU 54 2HD2 LEU 54 8.173 -4.633 2.168 1006 HD23 LEU 54 3HD2 LEU 54 6.985 -3.479 1.564 1007 H LEU 55 H LEU 55 4.594 -4.505 -3.020 1008 HA LEU 55 HA LEU 55 5.355 -2.420 -4.749 1009 HB2 LEU 55 1HB LEU 55 3.350 -4.636 -4.958 1010 HB3 LEU 55 2HB LEU 55 3.453 -3.418 -6.210 1011 HG LEU 55 HG LEU 55 5.133 -4.493 -7.183 1012 HD11 LEU 55 1HD1 LEU 55 6.711 -3.336 -5.800 1013 HD12 LEU 55 2HD1 LEU 55 7.246 -5.001 -6.030 1014 HD13 LEU 55 3HD1 LEU 55 6.498 -4.516 -4.506 1015 HD21 LEU 55 1HD2 LEU 55 4.768 -6.480 -4.953 1016 HD22 LEU 55 2HD2 LEU 55 5.728 -6.767 -6.404 1017 HD23 LEU 55 3HD2 LEU 55 3.989 -6.495 -6.537 1018 H THR 56 H THR 56 2.350 -3.044 -3.011 1019 HA THR 56 HA THR 56 0.838 -0.951 -4.153 1020 HB THR 56 HB THR 56 0.553 -2.118 -1.385 1021 HG1 THR 56 HG1 THR 56 0.411 -3.828 -2.739 1022 HG21 THR 56 1HG2 THR 56 -0.758 -0.080 -1.769 1023 HG22 THR 56 2HG2 THR 56 -1.800 -1.500 -1.639 1024 HG23 THR 56 3HG2 THR 56 -1.448 -0.806 -3.221 1025 H ALA 57 H ALA 57 2.875 -1.154 -1.282 1026 HA ALA 57 HA ALA 57 2.401 1.432 -0.323 1027 HB1 ALA 57 1HB ALA 57 3.432 -0.124 1.123 1028 HB2 ALA 57 2HB ALA 57 4.627 1.133 0.807 1029 HB3 ALA 57 3HB ALA 57 4.743 -0.422 -0.016 1030 H ALA 58 H ALA 58 4.845 0.149 -2.547 1031 HA ALA 58 HA ALA 58 6.198 2.536 -3.079 1032 HB1 ALA 58 1HB ALA 58 5.673 0.250 -4.973 1033 HB2 ALA 58 2HB ALA 58 6.985 0.328 -3.796 1034 HB3 ALA 58 3HB ALA 58 6.935 1.474 -5.138 1035 H GLU 59 H GLU 59 3.323 1.136 -4.571 1036 HA GLU 59 HA GLU 59 2.886 2.990 -6.603 1037 HB2 GLU 59 1HB GLU 59 0.901 1.428 -4.945 1038 HB3 GLU 59 2HB GLU 59 0.490 2.298 -6.411 1039 HG2 GLU 59 1HG GLU 59 2.505 0.080 -6.288 1040 HG3 GLU 59 2HG GLU 59 0.808 -0.149 -6.691 1041 H LEU 60 H LEU 60 1.565 2.966 -3.290 1042 HA LEU 60 HA LEU 60 0.260 5.467 -3.692 1043 HB2 LEU 60 1HB LEU 60 0.505 3.545 -1.472 1044 HB3 LEU 60 2HB LEU 60 0.192 5.210 -1.020 1045 HG LEU 60 HG LEU 60 -1.824 5.225 -2.401 1046 HD11 LEU 60 1HD1 LEU 60 -1.163 3.684 -4.136 1047 HD12 LEU 60 2HD1 LEU 60 -2.667 3.147 -3.386 1048 HD13 LEU 60 3HD1 LEU 60 -1.145 2.352 -2.979 1049 HD21 LEU 60 1HD2 LEU 60 -2.194 4.659 -0.158 1050 HD22 LEU 60 2HD2 LEU 60 -1.549 3.036 -0.383 1051 HD23 LEU 60 3HD2 LEU 60 -3.099 3.473 -1.102 1052 H LEU 61 H LEU 61 3.449 4.601 -2.543 1053 HA LEU 61 HA LEU 61 3.980 7.182 -1.422 1054 HB2 LEU 61 1HB LEU 61 5.856 5.089 -2.511 1055 HB3 LEU 61 2HB LEU 61 6.378 6.554 -1.711 1056 HG LEU 61 HG LEU 61 4.882 4.245 -0.496 1057 HD11 LEU 61 1HD1 LEU 61 7.492 5.450 0.344 1058 HD12 LEU 61 2HD1 LEU 61 7.396 4.214 -0.904 1059 HD13 LEU 61 3HD1 LEU 61 6.831 3.860 0.728 1060 HD21 LEU 61 1HD2 LEU 61 4.979 5.518 1.611 1061 HD22 LEU 61 2HD2 LEU 61 3.951 6.292 0.405 1062 HD23 LEU 61 3HD2 LEU 61 5.570 6.919 0.717 1063 H LEU 62 H LEU 62 4.052 5.785 -4.586 1064 HA LEU 62 HA LEU 62 5.526 7.853 -5.864 1065 HB2 LEU 62 1HB LEU 62 5.283 5.573 -6.762 1066 HB3 LEU 62 2HB LEU 62 3.568 5.853 -6.991 1067 HG LEU 62 HG LEU 62 4.120 7.649 -8.617 1068 HD11 LEU 62 1HD1 LEU 62 6.335 8.230 -7.808 1069 HD12 LEU 62 2HD1 LEU 62 6.406 7.752 -9.504 1070 HD13 LEU 62 3HD1 LEU 62 6.936 6.631 -8.249 1071 HD21 LEU 62 1HD2 LEU 62 5.278 4.931 -9.218 1072 HD22 LEU 62 2HD2 LEU 62 4.766 6.126 -10.410 1073 HD23 LEU 62 3HD2 LEU 62 3.577 5.381 -9.340 1074 H ASP 63 H ASP 63 2.103 7.169 -5.385 1075 HA ASP 63 HA ASP 63 1.340 9.577 -6.814 1076 HB2 ASP 63 1HB ASP 63 -0.130 7.253 -5.655 1077 HB3 ASP 63 2HB ASP 63 -1.004 8.741 -5.995 1078 H TYR 64 H TYR 64 1.144 8.340 -3.499 1079 HA TYR 64 HA TYR 64 0.009 10.885 -2.613 1080 HB2 TYR 64 1HB TYR 64 0.331 8.239 -1.194 1081 HB3 TYR 64 2HB TYR 64 -0.349 9.683 -0.452 1082 HD1 TYR 64 HD1 TYR 64 -2.581 10.360 -0.908 1083 HD2 TYR 64 HD2 TYR 64 -0.866 7.110 -3.030 1084 HE1 TYR 64 HE1 TYR 64 -4.799 9.775 -1.775 1085 HE2 TYR 64 HE2 TYR 64 -3.073 6.504 -3.906 1086 HH TYR 64 HH TYR 64 -5.776 8.564 -3.666 1087 H ASP 65 H ASP 65 2.480 11.339 -3.359 1088 HA ASP 65 HA ASP 65 4.415 10.937 -1.275 1089 HB2 ASP 65 1HB ASP 65 5.011 11.086 -3.681 1090 HB3 ASP 65 2HB ASP 65 4.521 12.775 -3.675 1091 H THR 66 H THR 66 2.194 12.077 -0.208 1092 HA THR 66 HA THR 66 1.333 13.790 0.993 1093 HB THR 66 HB THR 66 3.028 14.994 2.420 1094 HG1 THR 66 HG1 THR 66 4.701 14.211 0.542 1095 HG21 THR 66 1HG2 THR 66 1.945 12.887 3.081 1096 HG22 THR 66 2HG2 THR 66 3.593 13.009 3.701 1097 HG23 THR 66 3HG2 THR 66 3.250 11.992 2.302 1098 H GLY 67 H GLY 67 1.467 14.513 -1.690 1099 HA2 GLY 67 1HA GLY 67 2.623 17.170 -1.865 1100 HA3 GLY 67 2HA GLY 67 1.771 16.314 -3.142 1101 H CYS 68 H CYS 68 0.536 16.805 0.082 1102 HA CYS 68 HA CYS 68 -1.272 17.860 0.926 1103 HB2 CYS 68 1HB CYS 68 -0.792 19.772 -1.356 1104 HB3 CYS 68 2HB CYS 68 -1.853 20.074 0.014 1105 H GLU 69 H GLU 69 -3.562 18.503 0.488 1106 HA GLU 69 HA GLU 69 -4.669 16.654 -1.463 1107 HB2 GLU 69 1HB GLU 69 -6.838 17.140 -0.280 1108 HB3 GLU 69 2HB GLU 69 -5.597 16.385 0.708 1109 HG2 GLU 69 1HG GLU 69 -5.055 18.577 1.668 1110 HG3 GLU 69 2HG GLU 69 -6.340 19.301 0.703 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 -0.961 10.921 -8.927 2 H2 GLY 1 2H GLY 1 -2.393 11.548 -9.570 3 H3 GLY 1 3H GLY 1 -2.220 9.884 -9.363 4 HA2 GLY 1 2HA GLY 1 -2.068 10.203 -6.951 5 HA3 GLY 1 1HA GLY 1 -2.368 11.914 -7.212 6 HA PRO 2 HA PRO 2 -6.364 9.158 -8.084 7 HB2 PRO 2 1HB PRO 2 -6.082 7.554 -5.622 8 HB3 PRO 2 2HB PRO 2 -6.609 7.058 -7.232 9 HG2 PRO 2 1HG PRO 2 -4.216 6.349 -6.289 10 HG3 PRO 2 2HG PRO 2 -4.447 6.764 -7.998 11 HD2 PRO 2 1HD PRO 2 -3.272 8.409 -5.789 12 HD3 PRO 2 2HD PRO 2 -2.747 8.249 -7.478 13 H LYS 3 H LYS 3 -7.851 10.582 -7.542 14 HA LYS 3 HA LYS 3 -7.903 11.733 -4.873 15 HB2 LYS 3 1HB LYS 3 -9.529 12.347 -7.340 16 HB3 LYS 3 2HB LYS 3 -9.630 13.228 -5.824 17 HG2 LYS 3 1HG LYS 3 -7.157 13.000 -7.523 18 HG3 LYS 3 2HG LYS 3 -8.265 14.372 -7.527 19 HD2 LYS 3 1HD LYS 3 -6.683 13.391 -5.148 20 HD3 LYS 3 2HD LYS 3 -6.284 14.795 -6.137 21 HE2 LYS 3 1HE LYS 3 -8.429 15.824 -5.504 22 HE3 LYS 3 2HE LYS 3 -8.774 14.435 -4.477 23 HZ1 LYS 3 1HZ LYS 3 -6.475 16.278 -4.146 24 HZ2 LYS 3 2HZ LYS 3 -6.847 14.968 -3.143 25 HZ3 LYS 3 3HZ LYS 3 -7.885 16.298 -3.219 26 H THR 4 H THR 4 -9.412 9.266 -6.648 27 HA THR 4 HA THR 4 -11.537 9.117 -4.635 28 HB THR 4 HB THR 4 -13.003 8.098 -6.375 29 HG1 THR 4 HG1 THR 4 -12.151 8.901 -8.602 30 HG21 THR 4 1HG2 THR 4 -13.275 10.435 -5.758 31 HG22 THR 4 2HG2 THR 4 -13.563 10.221 -7.485 32 HG23 THR 4 3HG2 THR 4 -12.035 10.903 -6.922 33 H LEU 5 H LEU 5 -12.556 6.895 -4.601 34 HA LEU 5 HA LEU 5 -10.594 5.029 -3.868 35 HB2 LEU 5 1HB LEU 5 -12.966 5.242 -3.020 36 HB3 LEU 5 2HB LEU 5 -13.489 4.474 -4.502 37 HG LEU 5 HG LEU 5 -13.244 3.068 -2.345 38 HD11 LEU 5 1HD1 LEU 5 -12.100 2.182 -4.984 39 HD12 LEU 5 2HD1 LEU 5 -13.783 2.080 -4.466 40 HD13 LEU 5 3HD1 LEU 5 -12.552 1.102 -3.665 41 HD21 LEU 5 1HD2 LEU 5 -10.994 3.860 -1.809 42 HD22 LEU 5 2HD2 LEU 5 -10.390 3.126 -3.295 43 HD23 LEU 5 3HD2 LEU 5 -11.046 2.108 -2.014 44 H HIS 6 H HIS 6 -12.738 5.239 -6.659 45 HA HIS 6 HA HIS 6 -12.096 2.939 -8.022 46 HB2 HIS 6 1HB HIS 6 -13.855 4.528 -8.682 47 HB3 HIS 6 2HB HIS 6 -12.628 5.682 -9.172 48 HD1 HIS 6 HD1 HIS 6 -11.533 5.356 -11.462 49 HD2 HIS 6 HD2 HIS 6 -14.212 2.338 -10.437 50 HE1 HIS 6 HE1 HIS 6 -11.916 4.030 -13.564 51 HE2 HIS 6 HE2 HIS 6 -13.589 2.261 -12.941 52 H GLU 7 H GLU 7 -10.429 6.056 -8.108 53 HA GLU 7 HA GLU 7 -8.593 5.278 -10.125 54 HB2 GLU 7 1HB GLU 7 -8.397 7.525 -8.119 55 HB3 GLU 7 2HB GLU 7 -7.413 7.354 -9.568 56 HG2 GLU 7 1HG GLU 7 -10.371 7.856 -9.414 57 HG3 GLU 7 2HG GLU 7 -9.123 8.953 -9.996 58 H LEU 8 H LEU 8 -8.602 5.138 -6.635 59 HA LEU 8 HA LEU 8 -5.831 4.594 -6.320 60 HB2 LEU 8 1HB LEU 8 -7.445 5.439 -4.567 61 HB3 LEU 8 2HB LEU 8 -8.067 3.807 -4.458 62 HG LEU 8 HG LEU 8 -6.362 4.579 -2.709 63 HD11 LEU 8 1HD1 LEU 8 -7.017 2.282 -2.854 64 HD12 LEU 8 2HD1 LEU 8 -5.264 2.360 -2.661 65 HD13 LEU 8 3HD1 LEU 8 -5.963 2.028 -4.245 66 HD21 LEU 8 1HD2 LEU 8 -4.805 5.588 -4.331 67 HD22 LEU 8 2HD2 LEU 8 -4.441 3.973 -4.942 68 HD23 LEU 8 3HD2 LEU 8 -4.040 4.399 -3.278 69 H LEU 9 H LEU 9 -8.718 2.557 -6.535 70 HA LEU 9 HA LEU 9 -7.421 0.096 -6.157 71 HB2 LEU 9 1HB LEU 9 -10.005 0.947 -7.361 72 HB3 LEU 9 2HB LEU 9 -9.451 -0.685 -7.663 73 HG LEU 9 HG LEU 9 -11.042 -0.409 -5.727 74 HD11 LEU 9 1HD1 LEU 9 -9.651 -2.383 -5.970 75 HD12 LEU 9 2HD1 LEU 9 -9.805 -1.934 -4.270 76 HD13 LEU 9 3HD1 LEU 9 -8.321 -1.561 -5.153 77 HD21 LEU 9 1HD2 LEU 9 -8.630 0.799 -4.393 78 HD22 LEU 9 2HD2 LEU 9 -10.176 0.415 -3.635 79 HD23 LEU 9 3HD2 LEU 9 -10.083 1.680 -4.860 80 H GLU 10 H GLU 10 -8.101 1.932 -9.112 81 HA GLU 10 HA GLU 10 -6.966 0.026 -10.868 82 HB2 GLU 10 1HB GLU 10 -7.238 3.015 -11.192 83 HB3 GLU 10 2HB GLU 10 -6.803 1.900 -12.479 84 HG2 GLU 10 1HG GLU 10 -9.004 0.748 -12.047 85 HG3 GLU 10 2HG GLU 10 -9.418 2.125 -11.026 86 H ARG 11 H ARG 11 -5.644 2.552 -8.886 87 HA ARG 11 HA ARG 11 -3.132 2.830 -10.121 88 HB2 ARG 11 1HB ARG 11 -4.392 4.219 -8.242 89 HB3 ARG 11 2HB ARG 11 -3.452 3.189 -7.172 90 HG2 ARG 11 1HG ARG 11 -2.274 4.916 -9.334 91 HG3 ARG 11 2HG ARG 11 -2.421 5.386 -7.642 92 HD2 ARG 11 1HD ARG 11 -0.964 3.619 -6.960 93 HD3 ARG 11 2HD ARG 11 -0.928 2.952 -8.592 94 HE ARG 11 HE ARG 11 0.187 5.605 -7.897 95 HH11 ARG 11 1HH1 ARG 11 0.435 2.515 -9.558 96 HH12 ARG 11 2HH1 ARG 11 1.889 2.955 -10.389 97 HH21 ARG 11 1HH2 ARG 11 2.072 6.163 -8.979 98 HH22 ARG 11 2HH2 ARG 11 2.821 5.036 -10.072 99 H ILE 12 H ILE 12 -4.265 0.822 -7.430 100 HA ILE 12 HA ILE 12 -1.647 -0.395 -7.161 101 HB ILE 12 HB ILE 12 -2.600 -1.632 -5.285 102 HG12 ILE 12 1HG1 ILE 12 -5.166 -0.145 -5.895 103 HG13 ILE 12 2HG1 ILE 12 -4.908 -1.863 -6.182 104 HG21 ILE 12 1HG2 ILE 12 -1.648 0.550 -4.903 105 HG22 ILE 12 2HG2 ILE 12 -3.051 0.325 -3.854 106 HG23 ILE 12 3HG2 ILE 12 -3.186 1.321 -5.303 107 HD11 ILE 12 1HD1 ILE 12 -4.568 -2.203 -3.785 108 HD12 ILE 12 2HD1 ILE 12 -6.149 -1.503 -4.139 109 HD13 ILE 12 3HD1 ILE 12 -4.853 -0.484 -3.510 110 H GLY 13 H GLY 13 -4.535 -1.009 -8.854 111 HA2 GLY 13 1HA GLY 13 -4.578 -2.545 -10.638 112 HA3 GLY 13 2HA GLY 13 -3.311 -3.464 -9.848 113 H LEU 14 H LEU 14 -6.174 -2.395 -8.167 114 HA LEU 14 HA LEU 14 -7.197 -5.152 -8.256 115 HB2 LEU 14 1HB LEU 14 -7.032 -3.261 -5.935 116 HB3 LEU 14 2HB LEU 14 -8.241 -4.525 -5.978 117 HG LEU 14 HG LEU 14 -6.494 -5.402 -4.696 118 HD11 LEU 14 1HD1 LEU 14 -7.342 -6.930 -6.423 119 HD12 LEU 14 2HD1 LEU 14 -5.678 -7.277 -5.949 120 HD13 LEU 14 3HD1 LEU 14 -6.005 -6.448 -7.469 121 HD21 LEU 14 1HD2 LEU 14 -4.159 -5.428 -5.393 122 HD22 LEU 14 2HD2 LEU 14 -4.776 -3.790 -5.191 123 HD23 LEU 14 3HD2 LEU 14 -4.576 -4.464 -6.809 124 H GLU 15 H GLU 15 -7.814 -3.013 -10.019 125 HA GLU 15 HA GLU 15 -10.213 -1.706 -9.385 126 HB2 GLU 15 1HB GLU 15 -10.462 -1.386 -11.809 127 HB3 GLU 15 2HB GLU 15 -8.838 -1.011 -11.255 128 HG2 GLU 15 1HG GLU 15 -8.038 -3.144 -12.083 129 HG3 GLU 15 2HG GLU 15 -9.671 -3.571 -12.595 130 H GLU 16 H GLU 16 -9.558 -4.965 -10.103 131 HA GLU 16 HA GLU 16 -12.061 -5.850 -11.022 132 HB2 GLU 16 1HB GLU 16 -11.361 -8.050 -10.155 133 HB3 GLU 16 2HB GLU 16 -10.085 -7.271 -11.081 134 HG2 GLU 16 1HG GLU 16 -8.953 -6.621 -9.058 135 HG3 GLU 16 2HG GLU 16 -10.276 -7.248 -8.078 136 H HIS 17 H HIS 17 -11.116 -4.569 -8.015 137 HA HIS 17 HA HIS 17 -13.497 -5.723 -6.723 138 HB2 HIS 17 1HB HIS 17 -10.825 -5.017 -5.532 139 HB3 HIS 17 2HB HIS 17 -12.256 -5.295 -4.553 140 HD1 HIS 17 HD1 HIS 17 -13.455 -7.783 -5.429 141 HD2 HIS 17 HD2 HIS 17 -9.338 -7.235 -5.616 142 HE1 HIS 17 HE1 HIS 17 -12.469 -10.092 -5.496 143 HE2 HIS 17 HE2 HIS 17 -10.022 -9.713 -5.928 144 H THR 18 H THR 18 -12.537 -2.968 -8.116 145 HA THR 18 HA THR 18 -12.941 -0.948 -6.257 146 HB THR 18 HB THR 18 -13.943 -0.823 -9.093 147 HG1 THR 18 HG1 THR 18 -11.913 -0.581 -9.756 148 HG21 THR 18 1HG2 THR 18 -12.917 1.247 -7.159 149 HG22 THR 18 2HG2 THR 18 -14.576 1.066 -7.733 150 HG23 THR 18 3HG2 THR 18 -13.303 1.559 -8.852 151 H SER 19 H SER 19 -15.323 -2.622 -8.276 152 HA SER 19 HA SER 19 -17.605 -1.334 -7.282 153 HB2 SER 19 1HB SER 19 -17.578 -2.715 -9.332 154 HB3 SER 19 2HB SER 19 -17.348 -4.154 -8.347 155 HG SER 19 HG SER 19 -19.408 -4.187 -7.984 156 H THR 20 H THR 20 -15.825 -4.179 -6.194 157 HA THR 20 HA THR 20 -17.555 -5.108 -4.223 158 HB THR 20 HB THR 20 -14.562 -5.075 -3.887 159 HG1 THR 20 HG1 THR 20 -16.121 -6.759 -5.588 160 HG21 THR 20 1HG2 THR 20 -14.949 -7.258 -2.859 161 HG22 THR 20 2HG2 THR 20 -16.673 -7.123 -3.202 162 HG23 THR 20 3HG2 THR 20 -15.912 -6.012 -2.064 163 H LEU 21 H LEU 21 -14.842 -2.822 -3.932 164 HA LEU 21 HA LEU 21 -15.265 -2.151 -1.246 165 HB2 LEU 21 1HB LEU 21 -13.919 -0.793 -3.546 166 HB3 LEU 21 2HB LEU 21 -14.142 0.083 -2.051 167 HG LEU 21 HG LEU 21 -11.966 -0.753 -1.921 168 HD11 LEU 21 1HD1 LEU 21 -13.299 -1.191 0.103 169 HD12 LEU 21 2HD1 LEU 21 -11.963 -2.322 -0.110 170 HD13 LEU 21 3HD1 LEU 21 -13.610 -2.823 -0.490 171 HD21 LEU 21 1HD2 LEU 21 -12.089 -2.281 -3.817 172 HD22 LEU 21 2HD2 LEU 21 -12.975 -3.439 -2.823 173 HD23 LEU 21 3HD2 LEU 21 -11.306 -3.027 -2.422 174 H LEU 22 H LEU 22 -16.347 -0.524 -4.215 175 HA LEU 22 HA LEU 22 -17.709 1.602 -3.085 176 HB2 LEU 22 1HB LEU 22 -17.697 0.208 -5.654 177 HB3 LEU 22 2HB LEU 22 -19.223 0.986 -5.293 178 HG LEU 22 HG LEU 22 -18.117 3.140 -5.064 179 HD11 LEU 22 1HD1 LEU 22 -15.747 3.406 -5.561 180 HD12 LEU 22 2HD1 LEU 22 -15.578 1.656 -5.714 181 HD13 LEU 22 3HD1 LEU 22 -15.991 2.370 -4.154 182 HD21 LEU 22 1HD2 LEU 22 -18.869 2.453 -7.274 183 HD22 LEU 22 2HD2 LEU 22 -17.310 1.684 -7.577 184 HD23 LEU 22 3HD2 LEU 22 -17.408 3.436 -7.383 185 H LEU 23 H LEU 23 -18.951 -1.638 -3.823 186 HA LEU 23 HA LEU 23 -21.629 -1.087 -3.086 187 HB2 LEU 23 1HB LEU 23 -20.150 -3.708 -3.220 188 HB3 LEU 23 2HB LEU 23 -21.884 -3.546 -3.059 189 HG LEU 23 HG LEU 23 -20.225 -2.687 -5.428 190 HD11 LEU 23 1HD1 LEU 23 -21.445 -4.456 -6.599 191 HD12 LEU 23 2HD1 LEU 23 -22.229 -4.911 -5.085 192 HD13 LEU 23 3HD1 LEU 23 -20.484 -5.092 -5.263 193 HD21 LEU 23 1HD2 LEU 23 -22.089 -1.163 -5.095 194 HD22 LEU 23 2HD2 LEU 23 -23.204 -2.524 -4.978 195 HD23 LEU 23 3HD2 LEU 23 -22.376 -2.190 -6.499 196 H ASN 24 H ASN 24 -18.807 -2.050 -1.312 197 HA ASN 24 HA ASN 24 -20.384 -2.769 1.020 198 HB2 ASN 24 1HB ASN 24 -17.498 -3.049 0.283 199 HB3 ASN 24 2HB ASN 24 -17.997 -3.190 1.966 200 HD21 ASN 24 1HD2 ASN 24 -18.196 -4.579 -1.212 201 HD22 ASN 24 2HD2 ASN 24 -18.838 -6.112 -0.721 202 H GLY 25 H GLY 25 -19.427 0.038 -0.254 203 HA2 GLY 25 1HA GLY 25 -20.132 2.002 0.939 204 HA3 GLY 25 2HA GLY 25 -19.541 1.265 2.416 205 H TYR 26 H TYR 26 -17.248 0.550 0.265 206 HA TYR 26 HA TYR 26 -15.575 2.746 1.175 207 HB2 TYR 26 1HB TYR 26 -14.919 0.230 -0.349 208 HB3 TYR 26 2HB TYR 26 -13.733 1.400 0.218 209 HD1 TYR 26 HD1 TYR 26 -15.758 -1.442 1.059 210 HD2 TYR 26 HD2 TYR 26 -13.478 1.749 2.688 211 HE1 TYR 26 HE1 TYR 26 -15.647 -2.629 3.206 212 HE2 TYR 26 HE2 TYR 26 -13.353 0.574 4.838 213 HH TYR 26 HH TYR 26 -14.768 -1.175 6.053 214 H GLN 27 H GLN 27 -16.502 4.389 -0.080 215 HA GLN 27 HA GLN 27 -16.185 4.093 -2.984 216 HB2 GLN 27 1HB GLN 27 -17.913 6.069 -1.507 217 HB3 GLN 27 2HB GLN 27 -17.929 5.718 -3.230 218 HG2 GLN 27 1HG GLN 27 -18.648 3.418 -2.716 219 HG3 GLN 27 2HG GLN 27 -18.722 3.854 -1.013 220 HE21 GLN 27 1HE2 GLN 27 -20.817 2.888 -2.743 221 HE22 GLN 27 2HE2 GLN 27 -22.052 4.093 -2.743 222 H THR 28 H THR 28 -14.940 5.612 -0.266 223 HA THR 28 HA THR 28 -13.502 7.503 -1.994 224 HB THR 28 HB THR 28 -13.427 9.132 -0.191 225 HG1 THR 28 HG1 THR 28 -15.124 7.319 1.233 226 HG21 THR 28 1HG2 THR 28 -15.284 9.326 -1.729 227 HG22 THR 28 2HG2 THR 28 -15.828 9.742 -0.104 228 HG23 THR 28 3HG2 THR 28 -16.222 8.164 -0.790 229 H LEU 29 H LEU 29 -11.429 8.213 -1.015 230 HA LEU 29 HA LEU 29 -9.851 6.032 -0.164 231 HB2 LEU 29 1HB LEU 29 -9.277 8.988 0.080 232 HB3 LEU 29 2HB LEU 29 -8.093 7.695 0.137 233 HG LEU 29 HG LEU 29 -9.780 8.399 -2.266 234 HD11 LEU 29 1HD1 LEU 29 -6.861 8.900 -1.719 235 HD12 LEU 29 2HD1 LEU 29 -8.133 10.122 -1.766 236 HD13 LEU 29 3HD1 LEU 29 -7.708 9.236 -3.231 237 HD21 LEU 29 1HD2 LEU 29 -9.187 6.026 -2.137 238 HD22 LEU 29 2HD2 LEU 29 -7.486 6.468 -1.991 239 HD23 LEU 29 3HD2 LEU 29 -8.371 6.844 -3.468 240 H GLU 30 H GLU 30 -11.706 8.447 1.471 241 HA GLU 30 HA GLU 30 -10.560 8.146 4.050 242 HB2 GLU 30 1HB GLU 30 -13.293 9.158 3.263 243 HB3 GLU 30 2HB GLU 30 -12.548 9.348 4.846 244 HG2 GLU 30 1HG GLU 30 -10.670 10.562 3.649 245 HG3 GLU 30 2HG GLU 30 -11.736 10.602 2.246 246 H ASP 31 H ASP 31 -13.011 6.446 2.259 247 HA ASP 31 HA ASP 31 -13.882 4.904 4.534 248 HB2 ASP 31 1HB ASP 31 -14.276 4.405 1.574 249 HB3 ASP 31 2HB ASP 31 -15.044 3.495 2.866 250 H PHE 32 H PHE 32 -11.805 4.440 1.726 251 HA PHE 32 HA PHE 32 -11.298 1.708 2.171 252 HB2 PHE 32 1HB PHE 32 -11.010 2.948 0.012 253 HB3 PHE 32 2HB PHE 32 -9.530 3.633 0.672 254 HD1 PHE 32 HD1 PHE 32 -7.558 2.266 0.959 255 HD2 PHE 32 HD2 PHE 32 -11.145 0.607 -0.593 256 HE1 PHE 32 HE1 PHE 32 -6.311 0.304 0.193 257 HE2 PHE 32 HE2 PHE 32 -9.901 -1.368 -1.365 258 HZ PHE 32 HZ PHE 32 -7.476 -1.518 -0.972 259 H LYS 33 H LYS 33 -9.723 4.592 3.410 260 HA LYS 33 HA LYS 33 -7.360 3.318 4.286 261 HB2 LYS 33 1HB LYS 33 -7.083 5.259 5.775 262 HB3 LYS 33 2HB LYS 33 -7.470 5.725 4.128 263 HG2 LYS 33 1HG LYS 33 -9.770 6.144 4.754 264 HG3 LYS 33 2HG LYS 33 -9.436 5.609 6.400 265 HD2 LYS 33 1HD LYS 33 -9.461 8.049 6.235 266 HD3 LYS 33 2HD LYS 33 -7.871 7.447 6.700 267 HE2 LYS 33 1HE LYS 33 -7.065 7.735 4.434 268 HE3 LYS 33 2HE LYS 33 -8.666 8.233 3.898 269 HZ1 LYS 33 1HZ LYS 33 -7.267 10.145 4.240 270 HZ2 LYS 33 2HZ LYS 33 -6.938 9.678 5.831 271 HZ3 LYS 33 3HZ LYS 33 -8.500 10.146 5.395 272 H GLU 34 H GLU 34 -10.513 2.936 5.274 273 HA GLU 34 HA GLU 34 -9.778 1.995 7.955 274 HB2 GLU 34 1HB GLU 34 -12.477 2.527 6.709 275 HB3 GLU 34 2HB GLU 34 -12.219 1.964 8.354 276 HG2 GLU 34 1HG GLU 34 -11.136 4.549 7.278 277 HG3 GLU 34 2HG GLU 34 -12.672 4.401 8.130 278 H LEU 35 H LEU 35 -9.863 0.858 4.955 279 HA LEU 35 HA LEU 35 -11.389 -1.535 5.199 280 HB2 LEU 35 1HB LEU 35 -10.876 -0.380 3.066 281 HB3 LEU 35 2HB LEU 35 -9.188 -0.782 3.269 282 HG LEU 35 HG LEU 35 -10.534 -2.158 1.620 283 HD11 LEU 35 1HD1 LEU 35 -9.091 -3.641 3.804 284 HD12 LEU 35 2HD1 LEU 35 -8.320 -2.792 2.462 285 HD13 LEU 35 3HD1 LEU 35 -9.347 -4.191 2.147 286 HD21 LEU 35 1HD2 LEU 35 -12.523 -2.450 3.006 287 HD22 LEU 35 2HD2 LEU 35 -11.581 -3.397 4.157 288 HD23 LEU 35 3HD2 LEU 35 -11.838 -4.000 2.520 289 H ARG 36 H ARG 36 -10.832 -3.354 6.191 290 HA ARG 36 HA ARG 36 -7.992 -3.815 6.797 291 HB2 ARG 36 1HB ARG 36 -10.332 -4.671 8.503 292 HB3 ARG 36 2HB ARG 36 -8.629 -4.847 8.892 293 HG2 ARG 36 1HG ARG 36 -10.180 -2.277 8.686 294 HG3 ARG 36 2HG ARG 36 -9.546 -3.026 10.153 295 HD2 ARG 36 1HD ARG 36 -7.277 -2.676 9.388 296 HD3 ARG 36 2HD ARG 36 -7.866 -2.043 7.853 297 HE ARG 36 HE ARG 36 -8.489 -0.694 10.395 298 HH11 ARG 36 1HH1 ARG 36 -7.128 -0.652 7.168 299 HH12 ARG 36 2HH1 ARG 36 -6.961 1.075 7.127 300 HH21 ARG 36 1HH2 ARG 36 -8.260 1.589 10.335 301 HH22 ARG 36 2HH2 ARG 36 -7.608 2.344 8.915 302 H GLU 37 H GLU 37 -7.543 -6.212 7.259 303 HA GLU 37 HA GLU 37 -8.250 -7.636 4.937 304 HB2 GLU 37 1HB GLU 37 -6.159 -8.038 6.180 305 HB3 GLU 37 2HB GLU 37 -7.093 -8.741 7.496 306 HG2 GLU 37 1HG GLU 37 -7.928 -10.459 5.944 307 HG3 GLU 37 2HG GLU 37 -6.900 -9.780 4.681 308 H THR 38 H THR 38 -9.370 -7.866 8.274 309 HA THR 38 HA THR 38 -11.075 -10.062 7.967 310 HB THR 38 HB THR 38 -11.441 -7.693 9.809 311 HG1 THR 38 HG1 THR 38 -9.619 -9.774 9.764 312 HG21 THR 38 1HG2 THR 38 -13.413 -9.131 9.685 313 HG22 THR 38 2HG2 THR 38 -12.617 -9.285 11.252 314 HG23 THR 38 3HG2 THR 38 -12.413 -10.540 10.031 315 H HIS 39 H HIS 39 -11.365 -6.779 6.944 316 HA HIS 39 HA HIS 39 -14.201 -6.860 6.477 317 HB2 HIS 39 1HB HIS 39 -12.085 -4.972 5.420 318 HB3 HIS 39 2HB HIS 39 -13.819 -4.769 5.187 319 HD1 HIS 39 HD1 HIS 39 -12.969 -2.414 6.455 320 HD2 HIS 39 HD2 HIS 39 -13.419 -5.861 8.729 321 HE1 HIS 39 HE1 HIS 39 -13.007 -1.644 8.839 322 HE2 HIS 39 HE2 HIS 39 -13.464 -3.719 10.187 323 H LEU 40 H LEU 40 -11.256 -7.285 4.575 324 HA LEU 40 HA LEU 40 -12.438 -7.753 2.082 325 HB2 LEU 40 1HB LEU 40 -9.846 -8.308 3.354 326 HB3 LEU 40 2HB LEU 40 -10.264 -9.388 2.042 327 HG LEU 40 HG LEU 40 -10.059 -7.758 0.447 328 HD11 LEU 40 1HD1 LEU 40 -10.697 -5.717 2.561 329 HD12 LEU 40 2HD1 LEU 40 -11.758 -6.259 1.261 330 HD13 LEU 40 3HD1 LEU 40 -10.303 -5.342 0.884 331 HD21 LEU 40 1HD2 LEU 40 -8.117 -6.389 0.927 332 HD22 LEU 40 2HD2 LEU 40 -7.909 -8.012 1.583 333 HD23 LEU 40 3HD2 LEU 40 -8.324 -6.674 2.653 334 H ASN 41 H ASN 41 -11.875 -9.885 4.812 335 HA ASN 41 HA ASN 41 -12.740 -12.296 3.725 336 HB2 ASN 41 1HB ASN 41 -13.069 -11.137 6.490 337 HB3 ASN 41 2HB ASN 41 -13.606 -12.762 6.085 338 HD21 ASN 41 1HD2 ASN 41 -12.184 -13.691 7.534 339 HD22 ASN 41 2HD2 ASN 41 -10.481 -13.758 7.247 340 H GLU 42 H GLU 42 -14.561 -9.560 4.950 341 HA GLU 42 HA GLU 42 -17.121 -10.795 4.652 342 HB2 GLU 42 1HB GLU 42 -16.351 -7.907 5.050 343 HB3 GLU 42 2HB GLU 42 -17.983 -8.547 5.175 344 HG2 GLU 42 1HG GLU 42 -15.654 -9.303 6.919 345 HG3 GLU 42 2HG GLU 42 -16.977 -8.227 7.365 346 H LEU 43 H LEU 43 -15.090 -8.691 2.746 347 HA LEU 43 HA LEU 43 -17.072 -8.223 0.717 348 HB2 LEU 43 1HB LEU 43 -14.185 -7.553 1.065 349 HB3 LEU 43 2HB LEU 43 -14.904 -7.421 -0.523 350 HG LEU 43 HG LEU 43 -16.591 -5.851 0.445 351 HD11 LEU 43 1HD1 LEU 43 -14.788 -5.959 2.848 352 HD12 LEU 43 2HD1 LEU 43 -16.470 -6.488 2.770 353 HD13 LEU 43 3HD1 LEU 43 -16.073 -4.780 2.580 354 HD21 LEU 43 1HD2 LEU 43 -15.096 -3.952 0.505 355 HD22 LEU 43 2HD2 LEU 43 -14.620 -5.075 -0.771 356 HD23 LEU 43 3HD2 LEU 43 -13.717 -5.027 0.743 357 H ASN 44 H ASN 44 -15.374 -10.870 1.533 358 HA ASN 44 HA ASN 44 -14.973 -12.875 0.567 359 HB2 ASN 44 1HB ASN 44 -17.261 -12.445 -0.416 360 HB3 ASN 44 2HB ASN 44 -16.450 -11.853 -1.856 361 HD21 ASN 44 1HD2 ASN 44 -15.429 -14.564 0.148 362 HD22 ASN 44 2HD2 ASN 44 -15.663 -15.774 -1.063 363 H ILE 45 H ILE 45 -13.160 -10.649 0.248 364 HA ILE 45 HA ILE 45 -11.851 -11.264 -2.299 365 HB ILE 45 HB ILE 45 -11.102 -9.195 -0.232 366 HG12 ILE 45 1HG1 ILE 45 -12.541 -8.868 -2.874 367 HG13 ILE 45 2HG1 ILE 45 -13.298 -8.765 -1.288 368 HG21 ILE 45 1HG2 ILE 45 -10.131 -9.606 -3.061 369 HG22 ILE 45 2HG2 ILE 45 -9.211 -9.936 -1.592 370 HG23 ILE 45 3HG2 ILE 45 -9.665 -8.279 -1.995 371 HD11 ILE 45 1HD1 ILE 45 -11.167 -6.925 -2.341 372 HD12 ILE 45 2HD1 ILE 45 -11.954 -6.812 -0.766 373 HD13 ILE 45 3HD1 ILE 45 -12.891 -6.569 -2.241 374 H MET 46 H MET 46 -11.181 -13.342 -1.796 375 HA MET 46 HA MET 46 -9.634 -13.738 0.635 376 HB2 MET 46 1HB MET 46 -10.646 -15.746 -1.372 377 HB3 MET 46 2HB MET 46 -9.869 -16.130 0.157 378 HG2 MET 46 1HG MET 46 -12.347 -14.463 0.095 379 HG3 MET 46 2HG MET 46 -12.445 -16.214 -0.035 380 HE1 MET 46 1HE MET 46 -9.997 -13.954 2.421 381 HE2 MET 46 2HE MET 46 -11.226 -13.779 3.670 382 HE3 MET 46 3HE MET 46 -11.524 -13.161 2.044 383 H ASP 47 H ASP 47 -9.080 -13.071 -2.593 384 HA ASP 47 HA ASP 47 -6.752 -14.539 -3.158 385 HB2 ASP 47 1HB ASP 47 -7.745 -11.859 -4.094 386 HB3 ASP 47 2HB ASP 47 -6.220 -12.526 -4.659 387 HA PRO 48 HA PRO 48 -4.428 -13.004 0.274 388 HB2 PRO 48 1HB PRO 48 -2.195 -14.330 -1.148 389 HB3 PRO 48 2HB PRO 48 -2.779 -14.556 0.499 390 HG2 PRO 48 1HG PRO 48 -3.268 -16.373 -1.371 391 HG3 PRO 48 2HG PRO 48 -4.483 -15.965 -0.147 392 HD2 PRO 48 1HD PRO 48 -4.321 -15.130 -3.007 393 HD3 PRO 48 2HD PRO 48 -5.736 -15.591 -2.041 394 H GLN 49 H GLN 49 -2.831 -12.821 -2.931 395 HA GLN 49 HA GLN 49 -1.126 -10.685 -2.147 396 HB2 GLN 49 1HB GLN 49 -1.953 -11.733 -4.844 397 HB3 GLN 49 2HB GLN 49 -0.890 -10.348 -4.664 398 HG2 GLN 49 1HG GLN 49 0.718 -11.707 -3.472 399 HG3 GLN 49 2HG GLN 49 -0.355 -13.100 -3.578 400 HE21 GLN 49 1HE2 GLN 49 1.811 -11.013 -5.298 401 HE22 GLN 49 2HE2 GLN 49 1.936 -11.980 -6.724 402 H HIS 50 H HIS 50 -4.276 -10.897 -3.637 403 HA HIS 50 HA HIS 50 -4.473 -8.160 -4.370 404 HB2 HIS 50 1HB HIS 50 -6.650 -10.203 -3.861 405 HB3 HIS 50 2HB HIS 50 -6.906 -8.630 -4.604 406 HD1 HIS 50 HD1 HIS 50 -7.774 -9.867 -6.795 407 HD2 HIS 50 HD2 HIS 50 -3.801 -10.597 -5.806 408 HE1 HIS 50 HE1 HIS 50 -6.760 -10.948 -8.813 409 HE2 HIS 50 HE2 HIS 50 -4.323 -11.215 -8.260 410 H ARG 51 H ARG 51 -5.532 -10.051 -1.603 411 HA ARG 51 HA ARG 51 -6.588 -8.058 0.016 412 HB2 ARG 51 1HB ARG 51 -4.985 -10.531 0.645 413 HB3 ARG 51 2HB ARG 51 -5.633 -9.495 1.907 414 HG2 ARG 51 1HG ARG 51 -7.826 -10.050 1.408 415 HG3 ARG 51 2HG ARG 51 -7.411 -10.627 -0.208 416 HD2 ARG 51 1HD ARG 51 -7.937 -12.397 1.534 417 HD3 ARG 51 2HD ARG 51 -6.446 -12.596 0.620 418 HE ARG 51 HE ARG 51 -6.099 -11.211 3.120 419 HH11 ARG 51 1HH1 ARG 51 -6.255 -14.343 1.567 420 HH12 ARG 51 2HH1 ARG 51 -5.305 -15.137 2.785 421 HH21 ARG 51 1HH2 ARG 51 -4.828 -12.245 4.722 422 HH22 ARG 51 2HH2 ARG 51 -4.502 -13.949 4.574 423 H ALA 52 H ALA 52 -3.267 -9.268 -0.116 424 HA ALA 52 HA ALA 52 -2.088 -7.660 1.764 425 HB1 ALA 52 1HB ALA 52 -0.987 -9.558 0.746 426 HB2 ALA 52 2HB ALA 52 0.012 -8.118 0.566 427 HB3 ALA 52 3HB ALA 52 -0.920 -8.718 -0.802 428 H LYS 53 H LYS 53 -2.544 -6.980 -1.691 429 HA LYS 53 HA LYS 53 -1.272 -4.459 -1.653 430 HB2 LYS 53 1HB LYS 53 -3.452 -5.389 -3.526 431 HB3 LYS 53 2HB LYS 53 -2.317 -4.075 -3.810 432 HG2 LYS 53 1HG LYS 53 -0.493 -5.850 -3.545 433 HG3 LYS 53 2HG LYS 53 -1.794 -7.021 -3.745 434 HD2 LYS 53 1HD LYS 53 -0.909 -6.756 -5.891 435 HD3 LYS 53 2HD LYS 53 -2.354 -5.749 -5.895 436 HE2 LYS 53 1HE LYS 53 -1.046 -3.761 -5.579 437 HE3 LYS 53 2HE LYS 53 0.418 -4.719 -5.335 438 HZ1 LYS 53 1HZ LYS 53 0.324 -3.791 -7.562 439 HZ2 LYS 53 2HZ LYS 53 -1.147 -4.565 -7.859 440 HZ3 LYS 53 3HZ LYS 53 0.259 -5.479 -7.625 441 H LEU 54 H LEU 54 -4.701 -5.365 -1.463 442 HA LEU 54 HA LEU 54 -5.787 -2.819 -1.280 443 HB2 LEU 54 1HB LEU 54 -6.703 -5.414 -0.063 444 HB3 LEU 54 2HB LEU 54 -7.671 -3.954 -0.073 445 HG LEU 54 HG LEU 54 -6.677 -5.336 -2.562 446 HD11 LEU 54 1HD1 LEU 54 -8.218 -6.780 -1.374 447 HD12 LEU 54 2HD1 LEU 54 -8.985 -6.116 -2.819 448 HD13 LEU 54 3HD1 LEU 54 -9.376 -5.456 -1.229 449 HD21 LEU 54 1HD2 LEU 54 -8.678 -3.129 -2.120 450 HD22 LEU 54 2HD2 LEU 54 -8.380 -3.936 -3.659 451 HD23 LEU 54 3HD2 LEU 54 -7.103 -2.985 -2.900 452 H LEU 55 H LEU 55 -4.677 -4.957 1.344 453 HA LEU 55 HA LEU 55 -5.413 -3.220 3.435 454 HB2 LEU 55 1HB LEU 55 -3.480 -5.495 3.256 455 HB3 LEU 55 2HB LEU 55 -3.534 -4.501 4.697 456 HG LEU 55 HG LEU 55 -5.039 -5.989 5.421 457 HD11 LEU 55 1HD1 LEU 55 -6.404 -4.016 5.032 458 HD12 LEU 55 2HD1 LEU 55 -7.339 -5.502 4.854 459 HD13 LEU 55 3HD1 LEU 55 -6.812 -4.615 3.423 460 HD21 LEU 55 1HD2 LEU 55 -4.549 -7.579 3.659 461 HD22 LEU 55 2HD2 LEU 55 -5.641 -6.730 2.566 462 HD23 LEU 55 3HD2 LEU 55 -6.282 -7.542 3.994 463 H THR 56 H THR 56 -2.363 -3.601 1.687 464 HA THR 56 HA THR 56 -0.873 -1.785 3.237 465 HB THR 56 HB THR 56 -0.507 -2.428 0.311 466 HG1 THR 56 HG1 THR 56 -0.426 -4.349 1.367 467 HG21 THR 56 1HG2 THR 56 1.832 -1.875 0.721 468 HG22 THR 56 2HG2 THR 56 1.460 -1.499 2.404 469 HG23 THR 56 3HG2 THR 56 0.799 -0.496 1.110 470 H ALA 57 H ALA 57 -2.853 -1.374 0.345 471 HA ALA 57 HA ALA 57 -2.355 1.342 -0.079 472 HB1 ALA 57 1HB ALA 57 -4.608 1.317 -1.195 473 HB2 ALA 57 2HB ALA 57 -4.745 -0.370 -0.694 474 HB3 ALA 57 3HB ALA 57 -3.449 0.126 -1.781 475 H ALA 58 H ALA 58 -4.808 -0.305 1.883 476 HA ALA 58 HA ALA 58 -6.088 1.991 2.862 477 HB1 ALA 58 1HB ALA 58 -6.960 0.556 4.615 478 HB2 ALA 58 2HB ALA 58 -5.754 -0.674 4.228 479 HB3 ALA 58 3HB ALA 58 -7.010 -0.269 3.056 480 H GLU 59 H GLU 59 -3.304 0.180 4.067 481 HA GLU 59 HA GLU 59 -2.877 1.509 6.481 482 HB2 GLU 59 1HB GLU 59 -0.819 0.397 4.562 483 HB3 GLU 59 2HB GLU 59 -0.520 0.798 6.242 484 HG2 GLU 59 1HG GLU 59 -2.486 -1.279 5.329 485 HG3 GLU 59 2HG GLU 59 -0.820 -1.621 5.780 486 H LEU 60 H LEU 60 -1.479 2.174 3.276 487 HA LEU 60 HA LEU 60 -0.109 4.486 4.197 488 HB2 LEU 60 1HB LEU 60 -0.449 3.119 1.603 489 HB3 LEU 60 2HB LEU 60 -0.037 4.821 1.542 490 HG LEU 60 HG LEU 60 1.962 4.383 2.906 491 HD11 LEU 60 1HD1 LEU 60 2.690 2.093 3.313 492 HD12 LEU 60 2HD1 LEU 60 1.160 1.492 2.668 493 HD13 LEU 60 3HD1 LEU 60 1.178 2.453 4.149 494 HD21 LEU 60 1HD2 LEU 60 3.168 3.011 1.179 495 HD22 LEU 60 2HD2 LEU 60 2.298 4.423 0.580 496 HD23 LEU 60 3HD2 LEU 60 1.607 2.815 0.380 497 H LEU 61 H LEU 61 -3.254 4.018 2.632 498 HA LEU 61 HA LEU 61 -3.668 6.768 2.062 499 HB2 LEU 61 1HB LEU 61 -5.634 4.549 2.593 500 HB3 LEU 61 2HB LEU 61 -6.109 6.165 2.113 501 HG LEU 61 HG LEU 61 -4.538 4.176 0.487 502 HD11 LEU 61 1HD1 LEU 61 -6.432 4.023 -0.857 503 HD12 LEU 61 2HD1 LEU 61 -7.131 5.502 -0.200 504 HD13 LEU 61 3HD1 LEU 61 -7.080 4.043 0.783 505 HD21 LEU 61 1HD2 LEU 61 -3.624 6.387 0.094 506 HD22 LEU 61 2HD2 LEU 61 -5.246 7.041 -0.137 507 HD23 LEU 61 3HD2 LEU 61 -4.590 5.880 -1.292 508 H LEU 62 H LEU 62 -3.839 4.905 4.944 509 HA LEU 62 HA LEU 62 -5.518 6.682 6.412 510 HB2 LEU 62 1HB LEU 62 -5.236 4.258 6.887 511 HB3 LEU 62 2HB LEU 62 -3.598 4.586 7.413 512 HG LEU 62 HG LEU 62 -4.446 5.955 9.257 513 HD11 LEU 62 1HD1 LEU 62 -6.858 5.954 9.755 514 HD12 LEU 62 2HD1 LEU 62 -7.160 5.177 8.201 515 HD13 LEU 62 3HD1 LEU 62 -6.476 6.801 8.258 516 HD21 LEU 62 1HD2 LEU 62 -5.422 4.143 10.568 517 HD22 LEU 62 2HD2 LEU 62 -4.071 3.566 9.592 518 HD23 LEU 62 3HD2 LEU 62 -5.728 3.232 9.090 519 H ASP 63 H ASP 63 -2.083 6.348 5.882 520 HA ASP 63 HA ASP 63 -1.557 8.494 7.810 521 HB2 ASP 63 1HB ASP 63 0.187 6.397 6.564 522 HB3 ASP 63 2HB ASP 63 0.882 7.818 7.334 523 H TYR 64 H TYR 64 -1.074 7.635 4.439 524 HA TYR 64 HA TYR 64 0.202 10.216 3.916 525 HB2 TYR 64 1HB TYR 64 -0.034 7.718 2.235 526 HB3 TYR 64 2HB TYR 64 0.752 9.197 1.703 527 HD1 TYR 64 HD1 TYR 64 0.994 6.278 3.883 528 HD2 TYR 64 HD2 TYR 64 2.910 9.836 2.579 529 HE1 TYR 64 HE1 TYR 64 3.100 5.490 4.855 530 HE2 TYR 64 HE2 TYR 64 5.023 9.069 3.552 531 HH TYR 64 HH TYR 64 5.821 7.524 5.252 532 H ASP 65 H ASP 65 -2.437 10.537 4.437 533 HA ASP 65 HA ASP 65 -3.998 10.330 2.022 534 HB2 ASP 65 1HB ASP 65 -5.801 11.301 3.319 535 HB3 ASP 65 2HB ASP 65 -5.012 10.039 4.258 536 H THR 66 H THR 66 -1.688 11.833 1.675 537 HA THR 66 HA THR 66 -0.803 13.797 1.000 538 HB THR 66 HB THR 66 -2.371 15.171 -0.501 539 HG1 THR 66 HG1 THR 66 -4.226 13.810 0.632 540 HG21 THR 66 1HG2 THR 66 -2.233 13.488 -2.289 541 HG22 THR 66 2HG2 THR 66 -1.844 12.263 -1.084 542 HG23 THR 66 3HG2 THR 66 -0.735 13.604 -1.366 543 H GLY 67 H GLY 67 -1.839 13.931 3.679 544 HA2 GLY 67 1HA GLY 67 -3.104 16.526 3.935 545 HA3 GLY 67 2HA GLY 67 -2.624 15.464 5.250 546 H CYS 68 H CYS 68 -0.582 16.568 2.635 547 HA CYS 68 HA CYS 68 1.342 17.742 2.537 548 HB2 CYS 68 1HB CYS 68 0.190 19.081 4.978 549 HB3 CYS 68 2HB CYS 68 1.655 19.616 4.165 550 H GLU 69 H GLU 69 3.457 18.008 3.501 551 HA GLU 69 HA GLU 69 3.927 16.032 5.617 552 HB2 GLU 69 1HB GLU 69 6.258 15.890 4.695 553 HB3 GLU 69 2HB GLU 69 5.001 15.287 3.626 554 HG2 GLU 69 1HG GLU 69 5.110 17.310 2.307 555 HG3 GLU 69 2HG GLU 69 6.294 17.996 3.418 556 H1 GLY 1 1H GLY 1 1.291 8.624 10.619 557 H2 GLY 1 2H GLY 1 2.734 9.065 11.386 558 H3 GLY 1 3H GLY 1 2.528 7.489 10.813 559 HA2 GLY 1 2HA GLY 1 2.392 8.344 8.534 560 HA3 GLY 1 1HA GLY 1 2.733 9.944 9.172 561 HA PRO 2 HA PRO 2 6.657 6.963 9.383 562 HB2 PRO 2 1HB PRO 2 6.348 5.980 6.618 563 HB3 PRO 2 2HB PRO 2 6.855 5.112 8.070 564 HG2 PRO 2 1HG PRO 2 4.449 4.699 6.990 565 HG3 PRO 2 2HG PRO 2 4.684 4.701 8.749 566 HD2 PRO 2 1HD PRO 2 3.558 6.842 6.983 567 HD3 PRO 2 2HD PRO 2 3.022 6.307 8.591 568 H LYS 3 H LYS 3 8.184 8.439 9.179 569 HA LYS 3 HA LYS 3 8.272 10.171 6.847 570 HB2 LYS 3 1HB LYS 3 9.905 10.159 9.383 571 HB3 LYS 3 2HB LYS 3 10.032 11.363 8.113 572 HG2 LYS 3 1HG LYS 3 7.550 10.806 9.715 573 HG3 LYS 3 2HG LYS 3 8.687 12.113 10.037 574 HD2 LYS 3 1HD LYS 3 7.094 11.750 7.497 575 HD3 LYS 3 2HD LYS 3 6.724 12.892 8.788 576 HE2 LYS 3 1HE LYS 3 8.894 13.990 8.411 577 HE3 LYS 3 2HE LYS 3 9.215 12.874 7.089 578 HZ1 LYS 3 1HZ LYS 3 6.960 14.794 7.201 579 HZ2 LYS 3 2HZ LYS 3 7.307 13.746 5.921 580 HZ3 LYS 3 3HZ LYS 3 8.376 14.998 6.301 581 H THR 4 H THR 4 9.713 7.324 8.002 582 HA THR 4 HA THR 4 11.844 7.595 6.007 583 HB THR 4 HB THR 4 13.277 6.171 7.463 584 HG1 THR 4 HG1 THR 4 12.438 6.450 9.816 585 HG21 THR 4 1HG2 THR 4 13.602 8.578 7.403 586 HG22 THR 4 2HG2 THR 4 13.879 7.963 9.032 587 HG23 THR 4 3HG2 THR 4 12.370 8.792 8.646 588 H LEU 5 H LEU 5 12.812 5.412 5.466 589 HA LEU 5 HA LEU 5 10.805 3.820 4.319 590 HB2 LEU 5 1HB LEU 5 13.183 4.167 3.537 591 HB3 LEU 5 2HB LEU 5 13.685 3.064 4.800 592 HG LEU 5 HG LEU 5 13.412 2.202 2.378 593 HD11 LEU 5 1HD1 LEU 5 12.237 0.757 4.742 594 HD12 LEU 5 2HD1 LEU 5 13.921 0.739 4.214 595 HD13 LEU 5 3HD1 LEU 5 12.672 0.001 3.208 596 HD21 LEU 5 1HD2 LEU 5 11.184 3.149 2.045 597 HD22 LEU 5 2HD2 LEU 5 10.557 2.105 3.321 598 HD23 LEU 5 3HD2 LEU 5 11.194 1.398 1.838 599 H HIS 6 H HIS 6 12.941 3.331 7.077 600 HA HIS 6 HA HIS 6 12.245 0.794 7.874 601 HB2 HIS 6 1HB HIS 6 14.039 2.147 8.879 602 HB3 HIS 6 2HB HIS 6 12.836 3.184 9.627 603 HD1 HIS 6 HD1 HIS 6 11.720 2.358 11.781 604 HD2 HIS 6 HD2 HIS 6 14.338 -0.399 10.079 605 HE1 HIS 6 HE1 HIS 6 12.063 0.570 13.514 606 HE2 HIS 6 HE2 HIS 6 13.704 -1.044 12.498 607 H GLU 7 H GLU 7 10.649 3.845 8.680 608 HA GLU 7 HA GLU 7 8.789 2.661 10.465 609 HB2 GLU 7 1HB GLU 7 8.649 5.316 9.037 610 HB3 GLU 7 2HB GLU 7 7.658 4.837 10.409 611 HG2 GLU 7 1HG GLU 7 10.626 5.297 10.367 612 HG3 GLU 7 2HG GLU 7 9.402 6.255 11.193 613 H LEU 8 H LEU 8 8.806 3.340 7.039 614 HA LEU 8 HA LEU 8 6.027 2.948 6.610 615 HB2 LEU 8 1HB LEU 8 7.667 4.134 5.096 616 HB3 LEU 8 2HB LEU 8 8.250 2.556 4.613 617 HG LEU 8 HG LEU 8 6.570 3.753 3.091 618 HD11 LEU 8 1HD1 LEU 8 7.169 1.468 2.702 619 HD12 LEU 8 2HD1 LEU 8 5.420 1.631 2.535 620 HD13 LEU 8 3HD1 LEU 8 6.105 0.927 3.998 621 HD21 LEU 8 1HD2 LEU 8 5.032 4.396 4.908 622 HD22 LEU 8 2HD2 LEU 8 4.627 2.693 5.127 623 HD23 LEU 8 3HD2 LEU 8 4.242 3.504 3.610 624 H LEU 9 H LEU 9 8.860 0.845 6.346 625 HA LEU 9 HA LEU 9 7.505 -1.431 5.410 626 HB2 LEU 9 1HB LEU 9 10.105 -0.943 6.772 627 HB3 LEU 9 2HB LEU 9 9.511 -2.587 6.689 628 HG LEU 9 HG LEU 9 11.116 -1.909 4.868 629 HD11 LEU 9 1HD1 LEU 9 9.677 -3.852 4.650 630 HD12 LEU 9 2HD1 LEU 9 9.849 -3.025 3.100 631 HD13 LEU 9 3HD1 LEU 9 8.371 -2.831 4.046 632 HD21 LEU 9 1HD2 LEU 9 8.738 -0.369 3.854 633 HD22 LEU 9 2HD2 LEU 9 10.277 -0.603 3.024 634 HD23 LEU 9 3HD2 LEU 9 10.209 0.346 4.510 635 H GLU 10 H GLU 10 8.215 -0.343 8.708 636 HA GLU 10 HA GLU 10 7.030 -2.580 9.976 637 HB2 GLU 10 1HB GLU 10 7.372 0.246 10.983 638 HB3 GLU 10 2HB GLU 10 6.904 -1.124 11.979 639 HG2 GLU 10 1HG GLU 10 9.080 -2.198 11.289 640 HG3 GLU 10 2HG GLU 10 9.530 -0.631 10.615 641 H ARG 11 H ARG 11 5.778 0.375 8.645 642 HA ARG 11 HA ARG 11 3.264 0.414 9.904 643 HB2 ARG 11 1HB ARG 11 4.568 2.172 8.401 644 HB3 ARG 11 2HB ARG 11 3.611 1.442 7.122 645 HG2 ARG 11 1HG ARG 11 2.462 2.649 9.625 646 HG3 ARG 11 2HG ARG 11 2.627 3.492 8.087 647 HD2 ARG 11 1HD ARG 11 1.132 1.964 7.019 648 HD3 ARG 11 2HD ARG 11 1.075 0.939 8.452 649 HE ARG 11 HE ARG 11 0.021 3.705 8.384 650 HH11 ARG 11 1HH1 ARG 11 -0.303 0.326 9.307 651 HH12 ARG 11 2HH1 ARG 11 -1.749 0.602 10.220 652 HH21 ARG 11 1HH2 ARG 11 -1.849 4.048 9.566 653 HH22 ARG 11 2HH2 ARG 11 -2.629 2.722 10.377 654 H ILE 12 H ILE 12 4.367 -0.945 6.820 655 HA ILE 12 HA ILE 12 1.720 -2.000 6.281 656 HB ILE 12 HB ILE 12 2.649 -2.794 4.167 657 HG12 ILE 12 1HG1 ILE 12 5.248 -1.550 5.102 658 HG13 ILE 12 2HG1 ILE 12 4.948 -3.280 4.983 659 HG21 ILE 12 1HG2 ILE 12 1.752 -0.558 4.305 660 HG22 ILE 12 2HG2 ILE 12 3.151 -0.570 3.228 661 HG23 ILE 12 3HG2 ILE 12 3.308 0.058 4.868 662 HD11 ILE 12 1HD1 ILE 12 4.609 -3.049 2.573 663 HD12 ILE 12 2HD1 ILE 12 6.206 -2.488 3.077 664 HD13 ILE 12 3HD1 ILE 12 4.938 -1.319 2.704 665 H GLY 13 H GLY 13 4.585 -3.061 7.777 666 HA2 GLY 13 1HA GLY 13 4.582 -4.968 9.159 667 HA3 GLY 13 2HA GLY 13 3.299 -5.652 8.179 668 H LEU 14 H LEU 14 6.193 -4.289 6.789 669 HA LEU 14 HA LEU 14 7.150 -7.014 6.236 670 HB2 LEU 14 1HB LEU 14 7.036 -4.636 4.415 671 HB3 LEU 14 2HB LEU 14 8.216 -5.903 4.161 672 HG LEU 14 HG LEU 14 6.455 -6.420 2.716 673 HD11 LEU 14 1HD1 LEU 14 7.258 -8.325 4.046 674 HD12 LEU 14 2HD1 LEU 14 5.589 -8.512 3.505 675 HD13 LEU 14 3HD1 LEU 14 5.928 -8.064 5.176 676 HD21 LEU 14 1HD2 LEU 14 4.118 -6.545 3.393 677 HD22 LEU 14 2HD2 LEU 14 4.777 -4.921 3.573 678 HD23 LEU 14 3HD2 LEU 14 4.552 -5.946 4.992 679 H GLU 15 H GLU 15 7.811 -5.356 8.445 680 HA GLU 15 HA GLU 15 10.241 -3.998 8.127 681 HB2 GLU 15 1HB GLU 15 10.490 -4.253 10.558 682 HB3 GLU 15 2HB GLU 15 8.879 -3.720 10.107 683 HG2 GLU 15 1HG GLU 15 8.023 -5.967 10.420 684 HG3 GLU 15 2HG GLU 15 9.642 -6.542 10.818 685 H GLU 16 H GLU 16 9.507 -7.319 8.078 686 HA GLU 16 HA GLU 16 11.983 -8.456 8.759 687 HB2 GLU 16 1HB GLU 16 11.232 -10.379 7.408 688 HB3 GLU 16 2HB GLU 16 9.969 -9.803 8.488 689 HG2 GLU 16 1HG GLU 16 8.863 -8.678 6.672 690 HG3 GLU 16 2HG GLU 16 10.180 -9.084 5.576 691 H HIS 17 H HIS 17 11.081 -6.492 6.130 692 HA HIS 17 HA HIS 17 13.442 -7.368 4.604 693 HB2 HIS 17 1HB HIS 17 10.792 -6.339 3.613 694 HB3 HIS 17 2HB HIS 17 12.221 -6.420 2.594 695 HD1 HIS 17 HD1 HIS 17 13.353 -9.071 2.867 696 HD2 HIS 17 HD2 HIS 17 9.249 -8.479 3.180 697 HE1 HIS 17 HE1 HIS 17 12.308 -11.306 2.392 698 HE2 HIS 17 HE2 HIS 17 9.870 -10.977 2.899 699 H THR 18 H THR 18 12.541 -4.987 6.600 700 HA THR 18 HA THR 18 13.001 -2.604 5.256 701 HB THR 18 HB THR 18 13.989 -3.163 8.044 702 HG1 THR 18 HG1 THR 18 11.960 -3.026 8.741 703 HG21 THR 18 1HG2 THR 18 13.028 -0.675 6.642 704 HG22 THR 18 2HG2 THR 18 14.679 -1.027 7.158 705 HG23 THR 18 3HG2 THR 18 13.412 -0.775 8.359 706 H SER 19 H SER 19 15.334 -4.756 6.834 707 HA SER 19 HA SER 19 17.649 -3.330 6.157 708 HB2 SER 19 1HB SER 19 17.581 -5.149 7.831 709 HB3 SER 19 2HB SER 19 17.333 -6.314 6.535 710 HG SER 19 HG SER 19 19.396 -6.302 6.178 711 H THR 20 H THR 20 15.814 -5.810 4.442 712 HA THR 20 HA THR 20 17.521 -6.288 2.303 713 HB THR 20 HB THR 20 14.534 -6.094 1.986 714 HG1 THR 20 HG1 THR 20 16.025 -8.174 3.253 715 HG21 THR 20 1HG2 THR 20 14.867 -8.000 0.490 716 HG22 THR 20 2HG2 THR 20 16.593 -7.987 0.852 717 HG23 THR 20 3HG2 THR 20 15.863 -6.629 -0.003 718 H LEU 21 H LEU 21 14.865 -3.932 2.554 719 HA LEU 21 HA LEU 21 15.315 -2.667 0.098 720 HB2 LEU 21 1HB LEU 21 13.993 -1.845 2.652 721 HB3 LEU 21 2HB LEU 21 14.240 -0.654 1.400 722 HG LEU 21 HG LEU 21 12.047 -1.384 1.085 723 HD11 LEU 21 1HD1 LEU 21 13.375 -1.376 -0.987 724 HD12 LEU 21 2HD1 LEU 21 12.012 -2.495 -1.039 725 HD13 LEU 21 3HD1 LEU 21 13.645 -3.108 -0.787 726 HD21 LEU 21 1HD2 LEU 21 12.121 -3.313 2.574 727 HD22 LEU 21 2HD2 LEU 21 12.985 -4.231 1.339 728 HD23 LEU 21 3HD2 LEU 21 11.331 -3.696 1.045 729 H LEU 22 H LEU 22 16.424 -1.798 3.359 730 HA LEU 22 HA LEU 22 17.841 0.498 2.751 731 HB2 LEU 22 1HB LEU 22 17.784 -1.451 4.927 732 HB3 LEU 22 2HB LEU 22 19.331 -0.648 4.755 733 HG LEU 22 HG LEU 22 18.276 1.527 5.030 734 HD11 LEU 22 1HD1 LEU 22 15.912 1.727 5.580 735 HD12 LEU 22 2HD1 LEU 22 15.699 -0.006 5.328 736 HD13 LEU 22 3HD1 LEU 22 16.135 1.037 3.972 737 HD21 LEU 22 1HD2 LEU 22 19.005 0.332 7.020 738 HD22 LEU 22 2HD2 LEU 22 17.428 -0.448 7.141 739 HD23 LEU 22 3HD2 LEU 22 17.569 1.298 7.358 740 H LEU 23 H LEU 23 18.996 -2.855 2.709 741 HA LEU 23 HA LEU 23 21.693 -2.213 2.122 742 HB2 LEU 23 1HB LEU 23 20.154 -4.760 1.651 743 HB3 LEU 23 2HB LEU 23 21.892 -4.604 1.529 744 HG LEU 23 HG LEU 23 20.243 -4.277 4.034 745 HD11 LEU 23 1HD1 LEU 23 21.419 -6.296 4.763 746 HD12 LEU 23 2HD1 LEU 23 22.194 -6.409 3.182 747 HD13 LEU 23 3HD1 LEU 23 20.444 -6.583 3.321 748 HD21 LEU 23 1HD2 LEU 23 22.143 -2.763 4.061 749 HD22 LEU 23 2HD2 LEU 23 23.226 -4.088 3.634 750 HD23 LEU 23 3HD2 LEU 23 22.398 -4.093 5.190 751 H ASN 24 H ASN 24 18.854 -2.677 0.180 752 HA ASN 24 HA ASN 24 20.424 -2.873 -2.257 753 HB2 ASN 24 1HB ASN 24 17.529 -3.245 -1.600 754 HB3 ASN 24 2HB ASN 24 18.029 -3.002 -3.270 755 HD21 ASN 24 1HD2 ASN 24 18.192 -5.095 -0.501 756 HD22 ASN 24 2HD2 ASN 24 18.801 -6.488 -1.336 757 H GLY 25 H GLY 25 19.532 -0.411 -0.371 758 HA2 GLY 25 1HA GLY 25 20.292 1.758 -1.082 759 HA3 GLY 25 2HA GLY 25 19.686 1.398 -2.689 760 H TYR 26 H TYR 26 17.372 0.259 -0.750 761 HA TYR 26 HA TYR 26 15.753 2.645 -1.123 762 HB2 TYR 26 1HB TYR 26 15.026 -0.138 -0.223 763 HB3 TYR 26 2HB TYR 26 13.873 1.161 -0.503 764 HD1 TYR 26 HD1 TYR 26 15.829 -1.463 -1.982 765 HD2 TYR 26 HD2 TYR 26 13.639 2.077 -2.827 766 HE1 TYR 26 HE1 TYR 26 15.701 -2.115 -4.346 767 HE2 TYR 26 HE2 TYR 26 13.497 1.435 -5.193 768 HH TYR 26 HH TYR 26 14.869 -0.019 -6.775 769 H GLN 27 H GLN 27 16.707 3.931 0.475 770 HA GLN 27 HA GLN 27 16.369 2.976 3.232 771 HB2 GLN 27 1HB GLN 27 18.150 5.199 2.254 772 HB3 GLN 27 2HB GLN 27 18.150 4.453 3.848 773 HG2 GLN 27 1HG GLN 27 18.814 2.322 2.808 774 HG3 GLN 27 2HG GLN 27 18.910 3.142 1.255 775 HE21 GLN 27 1HE2 GLN 27 20.969 1.750 2.704 776 HE22 GLN 27 2HE2 GLN 27 22.233 2.895 2.990 777 H THR 28 H THR 28 15.178 5.122 0.943 778 HA THR 28 HA THR 28 13.780 6.594 3.068 779 HB THR 28 HB THR 28 13.748 8.599 1.696 780 HG1 THR 28 HG1 THR 28 15.411 7.144 -0.122 781 HG21 THR 28 1HG2 THR 28 15.612 8.383 3.221 782 HG22 THR 28 2HG2 THR 28 16.162 9.155 1.734 783 HG23 THR 28 3HG2 THR 28 16.519 7.451 2.029 784 H LEU 29 H LEU 29 11.729 7.567 2.276 785 HA LEU 29 HA LEU 29 10.106 5.672 0.951 786 HB2 LEU 29 1HB LEU 29 9.595 8.615 1.399 787 HB3 LEU 29 2HB LEU 29 8.384 7.396 1.045 788 HG LEU 29 HG LEU 29 10.078 7.484 3.542 789 HD11 LEU 29 1HD1 LEU 29 7.175 8.171 3.133 790 HD12 LEU 29 2HD1 LEU 29 8.475 9.318 3.457 791 HD13 LEU 29 3HD1 LEU 29 8.025 8.126 4.679 792 HD21 LEU 29 1HD2 LEU 29 9.428 5.223 2.863 793 HD22 LEU 29 2HD2 LEU 29 7.737 5.729 2.832 794 HD23 LEU 29 3HD2 LEU 29 8.632 5.728 4.352 795 H GLU 30 H GLU 30 12.030 8.344 -0.090 796 HA GLU 30 HA GLU 30 10.879 8.681 -2.665 797 HB2 GLU 30 1HB GLU 30 13.630 9.422 -1.669 798 HB3 GLU 30 2HB GLU 30 12.894 9.993 -3.162 799 HG2 GLU 30 1HG GLU 30 11.038 10.936 -1.714 800 HG3 GLU 30 2HG GLU 30 12.094 10.617 -0.340 801 H ASP 31 H ASP 31 13.282 6.555 -1.320 802 HA ASP 31 HA ASP 31 14.123 5.559 -3.891 803 HB2 ASP 31 1HB ASP 31 14.493 4.381 -1.127 804 HB3 ASP 31 2HB ASP 31 15.244 3.776 -2.594 805 H PHE 32 H PHE 32 12.026 4.510 -1.260 806 HA PHE 32 HA PHE 32 11.452 1.972 -2.327 807 HB2 PHE 32 1HB PHE 32 11.189 2.685 0.062 808 HB3 PHE 32 2HB PHE 32 9.728 3.539 -0.418 809 HD1 PHE 32 HD1 PHE 32 7.723 2.325 -1.011 810 HD2 PHE 32 HD2 PHE 32 11.264 0.264 0.109 811 HE1 PHE 32 HE1 PHE 32 6.426 0.269 -0.719 812 HE2 PHE 32 HE2 PHE 32 9.968 -1.804 0.404 813 HZ PHE 32 HZ PHE 32 7.543 -1.800 -0.008 814 H LYS 33 H LYS 33 9.957 5.102 -2.860 815 HA LYS 33 HA LYS 33 7.566 4.121 -4.002 816 HB2 LYS 33 1HB LYS 33 7.341 6.360 -5.002 817 HB3 LYS 33 2HB LYS 33 7.733 6.423 -3.290 818 HG2 LYS 33 1HG LYS 33 10.043 6.918 -3.809 819 HG3 LYS 33 2HG LYS 33 9.701 6.787 -5.535 820 HD2 LYS 33 1HD LYS 33 9.785 9.123 -4.810 821 HD3 LYS 33 2HD LYS 33 8.183 8.683 -5.397 822 HE2 LYS 33 1HE LYS 33 7.377 8.459 -3.123 823 HE3 LYS 33 2HE LYS 33 8.987 8.782 -2.490 824 HZ1 LYS 33 1HZ LYS 33 7.630 10.756 -2.383 825 HZ2 LYS 33 2HZ LYS 33 7.304 10.672 -4.039 826 HZ3 LYS 33 3HZ LYS 33 8.873 10.992 -3.503 827 H GLU 34 H GLU 34 10.717 3.902 -5.056 828 HA GLU 34 HA GLU 34 9.965 3.627 -7.882 829 HB2 GLU 34 1HB GLU 34 12.672 3.791 -6.552 830 HB3 GLU 34 2HB GLU 34 12.408 3.624 -8.282 831 HG2 GLU 34 1HG GLU 34 11.381 5.920 -6.644 832 HG3 GLU 34 2HG GLU 34 12.913 5.937 -7.512 833 H LEU 35 H LEU 35 10.014 1.824 -5.229 834 HA LEU 35 HA LEU 35 11.482 -0.486 -6.023 835 HB2 LEU 35 1HB LEU 35 10.987 0.158 -3.680 836 HB3 LEU 35 2HB LEU 35 9.291 -0.143 -3.970 837 HG LEU 35 HG LEU 35 10.596 -1.897 -2.684 838 HD11 LEU 35 1HD1 LEU 35 9.125 -2.801 -5.149 839 HD12 LEU 35 2HD1 LEU 35 8.370 -2.264 -3.647 840 HD13 LEU 35 3HD1 LEU 35 9.360 -3.723 -3.663 841 HD21 LEU 35 1HD2 LEU 35 12.583 -1.910 -4.099 842 HD22 LEU 35 2HD2 LEU 35 11.624 -2.541 -5.439 843 HD23 LEU 35 3HD2 LEU 35 11.857 -3.512 -3.987 844 H ARG 36 H ARG 36 10.885 -2.016 -7.407 845 HA ARG 36 HA ARG 36 8.036 -2.250 -8.099 846 HB2 ARG 36 1HB ARG 36 10.359 -2.740 -9.966 847 HB3 ARG 36 2HB ARG 36 8.653 -2.782 -10.379 848 HG2 ARG 36 1HG ARG 36 10.260 -0.365 -9.581 849 HG3 ARG 36 2HG ARG 36 9.618 -0.738 -11.183 850 HD2 ARG 36 1HD ARG 36 7.352 -0.527 -10.359 851 HD3 ARG 36 2HD ARG 36 7.946 -0.277 -8.719 852 HE ARG 36 HE ARG 36 8.597 1.611 -10.887 853 HH11 ARG 36 1HH1 ARG 36 7.232 0.936 -7.729 854 HH12 ARG 36 2HH1 ARG 36 7.124 2.612 -7.285 855 HH21 ARG 36 1HH2 ARG 36 8.442 3.819 -10.298 856 HH22 ARG 36 2HH2 ARG 36 7.810 4.244 -8.737 857 H GLU 37 H GLU 37 7.533 -4.467 -9.107 858 HA GLU 37 HA GLU 37 8.194 -6.404 -7.172 859 HB2 GLU 37 1HB GLU 37 6.098 -6.456 -8.474 860 HB3 GLU 37 2HB GLU 37 7.023 -6.859 -9.917 861 HG2 GLU 37 1HG GLU 37 7.810 -8.908 -8.801 862 HG3 GLU 37 2HG GLU 37 6.783 -8.518 -7.421 863 H THR 38 H THR 38 9.323 -5.889 -10.474 864 HA THR 38 HA THR 38 10.975 -8.136 -10.681 865 HB THR 38 HB THR 38 11.399 -5.412 -11.929 866 HG1 THR 38 HG1 THR 38 9.536 -7.416 -12.356 867 HG21 THR 38 1HG2 THR 38 13.338 -6.888 -12.150 868 HG22 THR 38 2HG2 THR 38 12.541 -6.656 -13.707 869 HG23 THR 38 3HG2 THR 38 12.306 -8.157 -12.809 870 H HIS 39 H HIS 39 11.332 -5.183 -8.928 871 HA HIS 39 HA HIS 39 14.165 -5.437 -8.504 872 HB2 HIS 39 1HB HIS 39 12.094 -3.792 -7.035 873 HB3 HIS 39 2HB HIS 39 13.832 -3.691 -6.765 874 HD1 HIS 39 HD1 HIS 39 13.037 -1.087 -7.456 875 HD2 HIS 39 HD2 HIS 39 13.418 -3.929 -10.463 876 HE1 HIS 39 HE1 HIS 39 13.094 0.208 -9.602 877 HE2 HIS 39 HE2 HIS 39 13.548 -1.513 -11.383 878 H LEU 40 H LEU 40 11.206 -6.223 -6.750 879 HA LEU 40 HA LEU 40 12.366 -7.277 -4.431 880 HB2 LEU 40 1HB LEU 40 9.767 -7.462 -5.792 881 HB3 LEU 40 2HB LEU 40 10.155 -8.825 -4.764 882 HG LEU 40 HG LEU 40 9.983 -7.601 -2.837 883 HD11 LEU 40 1HD1 LEU 40 10.677 -5.144 -4.425 884 HD12 LEU 40 2HD1 LEU 40 11.719 -5.999 -3.287 885 HD13 LEU 40 3HD1 LEU 40 10.285 -5.160 -2.706 886 HD21 LEU 40 1HD2 LEU 40 8.076 -6.116 -2.983 887 HD22 LEU 40 2HD2 LEU 40 7.832 -7.535 -3.999 888 HD23 LEU 40 3HD2 LEU 40 8.281 -5.995 -4.729 889 H ASN 41 H ASN 41 11.761 -8.712 -7.576 890 HA ASN 41 HA ASN 41 12.567 -11.326 -7.080 891 HB2 ASN 41 1HB ASN 41 12.935 -9.562 -9.500 892 HB3 ASN 41 2HB ASN 41 13.437 -11.247 -9.482 893 HD21 ASN 41 1HD2 ASN 41 12.006 -11.772 -11.114 894 HD22 ASN 41 2HD2 ASN 41 10.298 -11.873 -10.851 895 H GLU 42 H GLU 42 14.462 -8.429 -7.648 896 HA GLU 42 HA GLU 42 16.990 -9.764 -7.644 897 HB2 GLU 42 1HB GLU 42 16.287 -6.843 -7.355 898 HB3 GLU 42 2HB GLU 42 17.902 -7.475 -7.641 899 HG2 GLU 42 1HG GLU 42 15.549 -7.760 -9.492 900 HG3 GLU 42 2HG GLU 42 16.885 -6.627 -9.683 901 H LEU 43 H LEU 43 14.999 -8.101 -5.301 902 HA LEU 43 HA LEU 43 16.981 -8.162 -3.217 903 HB2 LEU 43 1HB LEU 43 14.113 -7.360 -3.397 904 HB3 LEU 43 2HB LEU 43 14.829 -7.618 -1.824 905 HG LEU 43 HG LEU 43 16.557 -5.908 -2.405 906 HD11 LEU 43 1HD1 LEU 43 14.761 -5.414 -4.764 907 HD12 LEU 43 2HD1 LEU 43 16.430 -5.988 -4.813 908 HD13 LEU 43 3HD1 LEU 43 16.073 -4.361 -4.232 909 HD21 LEU 43 1HD2 LEU 43 15.109 -4.011 -2.020 910 HD22 LEU 43 2HD2 LEU 43 14.598 -5.387 -1.038 911 HD23 LEU 43 3HD2 LEU 43 13.705 -4.966 -2.500 912 H ASN 44 H ASN 44 15.217 -10.505 -4.619 913 HA ASN 44 HA ASN 44 14.768 -12.669 -4.144 914 HB2 ASN 44 1HB ASN 44 17.064 -12.538 -3.097 915 HB3 ASN 44 2HB ASN 44 16.262 -12.276 -1.556 916 HD21 ASN 44 1HD2 ASN 44 15.184 -14.429 -4.132 917 HD22 ASN 44 2HD2 ASN 44 15.393 -15.889 -3.234 918 H ILE 45 H ILE 45 13.011 -10.539 -3.317 919 HA ILE 45 HA ILE 45 11.683 -11.690 -0.978 920 HB ILE 45 HB ILE 45 10.988 -9.186 -2.511 921 HG12 ILE 45 1HG1 ILE 45 12.424 -9.512 0.132 922 HG13 ILE 45 2HG1 ILE 45 13.187 -9.062 -1.387 923 HG21 ILE 45 1HG2 ILE 45 9.996 -10.215 0.148 924 HG22 ILE 45 2HG2 ILE 45 9.077 -10.176 -1.356 925 HG23 ILE 45 3HG2 ILE 45 9.566 -8.668 -0.582 926 HD11 ILE 45 1HD1 ILE 45 11.097 -7.465 0.064 927 HD12 ILE 45 2HD1 ILE 45 11.894 -7.011 -1.441 928 HD13 ILE 45 3HD1 ILE 45 12.830 -7.138 0.048 929 H MET 46 H MET 46 10.966 -13.587 -1.946 930 HA MET 46 HA MET 46 9.416 -13.364 -4.398 931 HB2 MET 46 1HB MET 46 10.368 -15.813 -2.919 932 HB3 MET 46 2HB MET 46 9.592 -15.805 -4.495 933 HG2 MET 46 1HG MET 46 12.110 -14.264 -4.045 934 HG3 MET 46 2HG MET 46 12.165 -15.998 -4.325 935 HE1 MET 46 1HE MET 46 9.782 -13.176 -6.185 936 HE2 MET 46 2HE MET 46 11.019 -12.743 -7.363 937 HE3 MET 46 3HE MET 46 11.326 -12.522 -5.640 938 H ASP 47 H ASP 47 8.866 -13.448 -1.105 939 HA ASP 47 HA ASP 47 6.503 -14.954 -0.890 940 HB2 ASP 47 1HB ASP 47 7.547 -12.582 0.636 941 HB3 ASP 47 2HB ASP 47 6.010 -13.334 1.037 942 HA PRO 48 HA PRO 48 4.232 -12.610 -3.869 943 HB2 PRO 48 1HB PRO 48 1.958 -14.172 -2.800 944 HB3 PRO 48 2HB PRO 48 2.553 -14.028 -4.453 945 HG2 PRO 48 1HG PRO 48 2.979 -16.240 -3.047 946 HG3 PRO 48 2HG PRO 48 4.213 -15.595 -4.142 947 HD2 PRO 48 1HD PRO 48 4.054 -15.435 -1.166 948 HD3 PRO 48 2HD PRO 48 5.462 -15.698 -2.212 949 H GLN 49 H GLN 49 2.609 -13.142 -0.715 950 HA GLN 49 HA GLN 49 0.970 -10.836 -0.975 951 HB2 GLN 49 1HB GLN 49 1.763 -12.500 1.402 952 HB3 GLN 49 2HB GLN 49 0.737 -11.086 1.553 953 HG2 GLN 49 1HG GLN 49 -0.904 -12.086 0.087 954 HG3 GLN 49 2HG GLN 49 0.131 -13.491 -0.142 955 HE21 GLN 49 1HE2 GLN 49 -1.981 -11.810 2.028 956 HE22 GLN 49 2HE2 GLN 49 -2.138 -13.082 3.185 957 H HIS 50 H HIS 50 4.108 -11.466 0.421 958 HA HIS 50 HA HIS 50 4.368 -8.977 1.765 959 HB2 HIS 50 1HB HIS 50 6.499 -10.896 0.795 960 HB3 HIS 50 2HB HIS 50 6.787 -9.544 1.882 961 HD1 HIS 50 HD1 HIS 50 7.616 -11.268 3.730 962 HD2 HIS 50 HD2 HIS 50 3.637 -11.669 2.595 963 HE1 HIS 50 HE1 HIS 50 6.570 -12.769 5.440 964 HE2 HIS 50 HE2 HIS 50 4.133 -12.864 4.828 965 H ARG 51 H ARG 51 5.392 -10.201 -1.367 966 HA ARG 51 HA ARG 51 6.504 -7.914 -2.481 967 HB2 ARG 51 1HB ARG 51 4.844 -10.132 -3.666 968 HB3 ARG 51 2HB ARG 51 5.525 -8.849 -4.652 969 HG2 ARG 51 1HG ARG 51 7.700 -9.562 -4.300 970 HG3 ARG 51 2HG ARG 51 7.264 -10.486 -2.860 971 HD2 ARG 51 1HD ARG 51 7.750 -11.816 -4.968 972 HD3 ARG 51 2HD ARG 51 6.254 -12.185 -4.119 973 HE ARG 51 HE ARG 51 5.947 -10.249 -6.228 974 HH11 ARG 51 1HH1 ARG 51 6.025 -13.660 -5.451 975 HH12 ARG 51 2HH1 ARG 51 5.058 -14.126 -6.812 976 HH21 ARG 51 1HH2 ARG 51 4.656 -10.848 -8.024 977 HH22 ARG 51 2HH2 ARG 51 4.281 -12.529 -8.274 978 H ALA 52 H ALA 52 3.155 -9.041 -2.631 979 HA ALA 52 HA ALA 52 2.021 -7.012 -4.080 980 HB1 ALA 52 1HB ALA 52 0.871 -9.068 -3.529 981 HB2 ALA 52 2HB ALA 52 -0.095 -7.685 -3.018 982 HB3 ALA 52 3HB ALA 52 0.818 -8.609 -1.829 983 H LYS 53 H LYS 53 2.485 -7.163 -0.564 984 HA LYS 53 HA LYS 53 1.268 -4.674 -0.017 985 HB2 LYS 53 1HB LYS 53 3.418 -6.060 1.588 986 HB3 LYS 53 2HB LYS 53 2.314 -4.819 2.168 987 HG2 LYS 53 1HG LYS 53 0.449 -6.440 1.502 988 HG3 LYS 53 2HG LYS 53 1.721 -7.658 1.428 989 HD2 LYS 53 1HD LYS 53 0.828 -7.872 3.576 990 HD3 LYS 53 2HD LYS 53 2.298 -6.929 3.812 991 HE2 LYS 53 1HE LYS 53 1.040 -4.890 3.959 992 HE3 LYS 53 2HE LYS 53 -0.447 -5.732 3.508 993 HZ1 LYS 53 1HZ LYS 53 -0.334 -5.336 5.888 994 HZ2 LYS 53 2HZ LYS 53 1.118 -6.192 5.991 995 HZ3 LYS 53 3HZ LYS 53 -0.309 -6.996 5.563 996 H LEU 54 H LEU 54 4.676 -5.590 -0.414 997 HA LEU 54 HA LEU 54 5.824 -3.097 -0.010 998 HB2 LEU 54 1HB LEU 54 6.683 -5.363 -1.794 999 HB3 LEU 54 2HB LEU 54 7.685 -3.969 -1.448 1000 HG LEU 54 HG LEU 54 6.649 -5.865 0.656 1001 HD11 LEU 54 1HD1 LEU 54 8.158 -7.032 -0.834 1002 HD12 LEU 54 2HD1 LEU 54 8.936 -6.738 0.722 1003 HD13 LEU 54 3HD1 LEU 54 9.348 -5.739 -0.674 1004 HD21 LEU 54 1HD2 LEU 54 8.702 -3.664 0.732 1005 HD22 LEU 54 2HD2 LEU 54 8.377 -4.797 2.044 1006 HD23 LEU 54 3HD2 LEU 54 7.126 -3.667 1.524 1007 H LEU 55 H LEU 55 4.670 -4.545 -3.055 1008 HA LEU 55 HA LEU 55 5.457 -2.389 -4.687 1009 HB2 LEU 55 1HB LEU 55 3.471 -4.597 -5.038 1010 HB3 LEU 55 2HB LEU 55 3.552 -3.298 -6.209 1011 HG LEU 55 HG LEU 55 5.024 -4.612 -7.262 1012 HD11 LEU 55 1HD1 LEU 55 6.435 -2.815 -6.431 1013 HD12 LEU 55 2HD1 LEU 55 7.334 -4.322 -6.603 1014 HD13 LEU 55 3HD1 LEU 55 6.824 -3.777 -5.004 1015 HD21 LEU 55 1HD2 LEU 55 4.492 -6.551 -5.912 1016 HD22 LEU 55 2HD2 LEU 55 5.600 -6.004 -4.654 1017 HD23 LEU 55 3HD2 LEU 55 6.226 -6.480 -6.234 1018 H THR 56 H THR 56 2.390 -3.088 -3.070 1019 HA THR 56 HA THR 56 0.949 -0.927 -4.154 1020 HB THR 56 HB THR 56 0.560 -2.223 -1.457 1021 HG1 THR 56 HG1 THR 56 0.440 -3.843 -2.937 1022 HG21 THR 56 1HG2 THR 56 -1.762 -1.534 -1.720 1023 HG22 THR 56 2HG2 THR 56 -1.378 -0.788 -3.271 1024 HG23 THR 56 3HG2 THR 56 -0.696 -0.127 -1.783 1025 H ALA 57 H ALA 57 2.930 -1.245 -1.250 1026 HA ALA 57 HA ALA 57 2.494 1.308 -0.209 1027 HB1 ALA 57 1HB ALA 57 4.741 0.971 0.869 1028 HB2 ALA 57 2HB ALA 57 4.841 -0.558 -0.008 1029 HB3 ALA 57 3HB ALA 57 3.552 -0.295 1.166 1030 H ALA 58 H ALA 58 4.919 0.106 -2.499 1031 HA ALA 58 HA ALA 58 6.257 2.532 -2.922 1032 HB1 ALA 58 1HB ALA 58 7.096 1.519 -4.965 1033 HB2 ALA 58 2HB ALA 58 5.859 0.263 -4.863 1034 HB3 ALA 58 3HB ALA 58 7.123 0.357 -3.637 1035 H GLU 59 H GLU 59 3.434 1.119 -4.507 1036 HA GLU 59 HA GLU 59 3.046 2.979 -6.547 1037 HB2 GLU 59 1HB GLU 59 0.959 1.500 -4.931 1038 HB3 GLU 59 2HB GLU 59 0.671 2.288 -6.471 1039 HG2 GLU 59 1HG GLU 59 2.588 0.013 -6.070 1040 HG3 GLU 59 2HG GLU 59 0.919 -0.173 -6.595 1041 H LEU 60 H LEU 60 1.655 2.916 -3.275 1042 HA LEU 60 HA LEU 60 0.340 5.410 -3.635 1043 HB2 LEU 60 1HB LEU 60 0.640 3.472 -1.428 1044 HB3 LEU 60 2HB LEU 60 0.265 5.123 -0.975 1045 HG LEU 60 HG LEU 60 -1.737 5.059 -2.399 1046 HD11 LEU 60 1HD1 LEU 60 -2.517 2.943 -3.325 1047 HD12 LEU 60 2HD1 LEU 60 -1.004 2.174 -2.842 1048 HD13 LEU 60 3HD1 LEU 60 -0.995 3.452 -4.060 1049 HD21 LEU 60 1HD2 LEU 60 -2.981 3.354 -1.033 1050 HD22 LEU 60 2HD2 LEU 60 -2.079 4.568 -0.126 1051 HD23 LEU 60 3HD2 LEU 60 -1.428 2.940 -0.305 1052 H LEU 61 H LEU 61 3.465 4.517 -2.225 1053 HA LEU 61 HA LEU 61 3.946 7.050 -1.036 1054 HB2 LEU 61 1HB LEU 61 5.861 4.968 -2.070 1055 HB3 LEU 61 2HB LEU 61 6.370 6.417 -1.230 1056 HG LEU 61 HG LEU 61 4.746 4.144 -0.104 1057 HD11 LEU 61 1HD1 LEU 61 6.631 3.637 1.163 1058 HD12 LEU 61 2HD1 LEU 61 7.367 5.210 0.869 1059 HD13 LEU 61 3HD1 LEU 61 7.286 4.023 -0.428 1060 HD21 LEU 61 1HD2 LEU 61 3.887 6.227 0.790 1061 HD22 LEU 61 2HD2 LEU 61 5.522 6.770 1.162 1062 HD23 LEU 61 3HD2 LEU 61 4.834 5.390 2.019 1063 H LEU 62 H LEU 62 4.080 5.903 -4.272 1064 HA LEU 62 HA LEU 62 5.809 7.931 -5.291 1065 HB2 LEU 62 1HB LEU 62 5.474 5.690 -6.312 1066 HB3 LEU 62 2HB LEU 62 3.845 6.167 -6.745 1067 HG LEU 62 HG LEU 62 4.730 7.904 -8.225 1068 HD11 LEU 62 1HD1 LEU 62 7.142 7.961 -8.717 1069 HD12 LEU 62 2HD1 LEU 62 7.423 6.836 -7.387 1070 HD13 LEU 62 3HD1 LEU 62 6.779 8.445 -7.061 1071 HD21 LEU 62 1HD2 LEU 62 5.667 6.419 -9.918 1072 HD22 LEU 62 2HD2 LEU 62 4.299 5.667 -9.098 1073 HD23 LEU 62 3HD2 LEU 62 5.945 5.185 -8.691 1074 H ASP 63 H ASP 63 2.367 7.568 -4.843 1075 HA ASP 63 HA ASP 63 1.902 10.110 -6.228 1076 HB2 ASP 63 1HB ASP 63 0.106 7.819 -5.506 1077 HB3 ASP 63 2HB ASP 63 -0.558 9.397 -5.910 1078 H TYR 64 H TYR 64 1.384 8.508 -3.145 1079 HA TYR 64 HA TYR 64 0.166 10.927 -2.038 1080 HB2 TYR 64 1HB TYR 64 0.337 8.104 -0.981 1081 HB3 TYR 64 2HB TYR 64 -0.414 9.438 -0.119 1082 HD1 TYR 64 HD1 TYR 64 -0.718 7.107 -2.913 1083 HD2 TYR 64 HD2 TYR 64 -2.557 10.313 -0.821 1084 HE1 TYR 64 HE1 TYR 64 -2.839 6.615 -4.036 1085 HE2 TYR 64 HE2 TYR 64 -4.683 9.841 -1.941 1086 HH TYR 64 HH TYR 64 -5.512 8.747 -3.945 1087 H ASP 65 H ASP 65 2.811 11.307 -2.470 1088 HA ASP 65 HA ASP 65 4.357 10.501 -0.170 1089 HB2 ASP 65 1HB ASP 65 6.192 11.700 -1.210 1090 HB3 ASP 65 2HB ASP 65 5.380 10.699 -2.407 1091 H THR 66 H THR 66 2.092 11.936 0.520 1092 HA THR 66 HA THR 66 1.250 13.710 1.631 1093 HB THR 66 HB THR 66 2.843 14.662 3.407 1094 HG1 THR 66 HG1 THR 66 4.672 13.544 1.983 1095 HG21 THR 66 1HG2 THR 66 2.658 12.613 4.755 1096 HG22 THR 66 2HG2 THR 66 2.247 11.711 3.298 1097 HG23 THR 66 3HG2 THR 66 1.168 12.974 3.883 1098 H GLY 67 H GLY 67 2.302 14.439 -0.947 1099 HA2 GLY 67 1HA GLY 67 3.622 16.992 -0.592 1100 HA3 GLY 67 2HA GLY 67 3.131 16.273 -2.118 1101 H CYS 68 H CYS 68 1.096 16.792 0.678 1102 HA CYS 68 HA CYS 68 -0.799 17.956 1.045 1103 HB2 CYS 68 1HB CYS 68 0.399 19.795 -1.018 1104 HB3 CYS 68 2HB CYS 68 -1.061 20.162 -0.108 1105 H GLU 69 H GLU 69 -2.905 18.473 0.181 1106 HA GLU 69 HA GLU 69 -3.417 17.080 -2.348 1107 HB2 GLU 69 1HB GLU 69 -5.748 16.768 -1.479 1108 HB3 GLU 69 2HB GLU 69 -4.511 15.907 -0.578 1109 HG2 GLU 69 1HG GLU 69 -4.586 17.567 1.176 1110 HG3 GLU 69 2HG GLU 69 -5.744 18.523 0.252 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 -2.350 9.818 -9.738 2 H2 GLY 1 2H GLY 1 -1.059 10.843 -9.380 3 H3 GLY 1 3H GLY 1 -2.518 11.486 -9.945 4 HA2 GLY 1 2HA GLY 1 -2.028 10.183 -7.331 5 HA3 GLY 1 1HA GLY 1 -2.406 11.875 -7.612 6 HA PRO 2 HA PRO 2 -6.316 8.930 -8.093 7 HB2 PRO 2 1HB PRO 2 -5.959 7.632 -5.476 8 HB3 PRO 2 2HB PRO 2 -6.448 6.931 -7.021 9 HG2 PRO 2 1HG PRO 2 -4.026 6.459 -5.976 10 HG3 PRO 2 2HG PRO 2 -4.270 6.625 -7.725 11 HD2 PRO 2 1HD PRO 2 -3.178 8.607 -5.766 12 HD3 PRO 2 2HD PRO 2 -2.644 8.244 -7.422 13 H LYS 3 H LYS 3 -7.918 10.261 -7.652 14 HA LYS 3 HA LYS 3 -7.940 11.694 -5.106 15 HB2 LYS 3 1HB LYS 3 -9.665 12.109 -7.545 16 HB3 LYS 3 2HB LYS 3 -9.575 13.161 -6.143 17 HG2 LYS 3 1HG LYS 3 -7.369 12.626 -8.117 18 HG3 LYS 3 2HG LYS 3 -8.329 14.098 -7.992 19 HD2 LYS 3 1HD LYS 3 -6.482 13.021 -5.860 20 HD3 LYS 3 2HD LYS 3 -6.108 14.342 -6.966 21 HE2 LYS 3 1HE LYS 3 -8.337 14.317 -4.937 22 HE3 LYS 3 2HE LYS 3 -6.804 15.167 -4.768 23 HZ1 LYS 3 1HZ LYS 3 -8.493 16.683 -5.491 24 HZ2 LYS 3 2HZ LYS 3 -8.898 15.700 -6.802 25 HZ3 LYS 3 3HZ LYS 3 -7.392 16.464 -6.754 26 H THR 4 H THR 4 -9.516 9.140 -6.759 27 HA THR 4 HA THR 4 -11.581 9.103 -4.685 28 HB THR 4 HB THR 4 -13.155 8.138 -6.347 29 HG1 THR 4 HG1 THR 4 -12.144 8.990 -8.607 30 HG21 THR 4 1HG2 THR 4 -12.058 10.865 -7.027 31 HG22 THR 4 2HG2 THR 4 -13.273 10.505 -5.800 32 HG23 THR 4 3HG2 THR 4 -13.640 10.251 -7.506 33 H LEU 5 H LEU 5 -12.730 6.873 -4.770 34 HA LEU 5 HA LEU 5 -10.894 4.994 -3.830 35 HB2 LEU 5 1HB LEU 5 -13.337 5.239 -3.261 36 HB3 LEU 5 2HB LEU 5 -13.708 4.479 -4.791 37 HG LEU 5 HG LEU 5 -13.757 3.075 -2.628 38 HD11 LEU 5 1HD1 LEU 5 -14.044 2.096 -4.804 39 HD12 LEU 5 2HD1 LEU 5 -12.969 1.083 -3.838 40 HD13 LEU 5 3HD1 LEU 5 -12.305 2.136 -5.088 41 HD21 LEU 5 1HD2 LEU 5 -11.649 2.059 -2.014 42 HD22 LEU 5 2HD2 LEU 5 -11.577 3.810 -1.807 43 HD23 LEU 5 3HD2 LEU 5 -10.804 3.052 -3.200 44 H HIS 6 H HIS 6 -12.804 5.003 -6.820 45 HA HIS 6 HA HIS 6 -11.851 2.673 -7.968 46 HB2 HIS 6 1HB HIS 6 -13.750 3.946 -8.832 47 HB3 HIS 6 2HB HIS 6 -12.674 5.242 -9.324 48 HD1 HIS 6 HD1 HIS 6 -12.928 5.181 -11.799 49 HD2 HIS 6 HD2 HIS 6 -12.173 1.417 -10.213 50 HE1 HIS 6 HE1 HIS 6 -12.638 3.660 -13.776 51 HE2 HIS 6 HE2 HIS 6 -12.348 1.362 -12.794 52 H GLU 7 H GLU 7 -10.516 5.930 -8.113 53 HA GLU 7 HA GLU 7 -8.501 5.431 -10.004 54 HB2 GLU 7 1HB GLU 7 -8.600 7.433 -7.751 55 HB3 GLU 7 2HB GLU 7 -7.417 7.453 -9.051 56 HG2 GLU 7 1HG GLU 7 -10.387 7.696 -9.428 57 HG3 GLU 7 2HG GLU 7 -9.263 9.050 -9.367 58 H LEU 8 H LEU 8 -8.561 5.190 -6.488 59 HA LEU 8 HA LEU 8 -5.802 4.648 -6.170 60 HB2 LEU 8 1HB LEU 8 -7.470 5.461 -4.438 61 HB3 LEU 8 2HB LEU 8 -8.021 3.804 -4.320 62 HG LEU 8 HG LEU 8 -6.373 4.636 -2.563 63 HD11 LEU 8 1HD1 LEU 8 -5.121 2.495 -2.552 64 HD12 LEU 8 2HD1 LEU 8 -5.814 2.139 -4.134 65 HD13 LEU 8 3HD1 LEU 8 -6.865 2.308 -2.727 66 HD21 LEU 8 1HD2 LEU 8 -4.409 4.207 -4.797 67 HD22 LEU 8 2HD2 LEU 8 -4.034 4.604 -3.119 68 HD23 LEU 8 3HD2 LEU 8 -4.871 5.775 -4.137 69 H LEU 9 H LEU 9 -8.665 2.590 -6.416 70 HA LEU 9 HA LEU 9 -7.372 0.133 -6.052 71 HB2 LEU 9 1HB LEU 9 -9.915 0.976 -7.366 72 HB3 LEU 9 2HB LEU 9 -9.347 -0.662 -7.596 73 HG LEU 9 HG LEU 9 -11.024 -0.396 -5.766 74 HD11 LEU 9 1HD1 LEU 9 -9.530 -2.303 -5.811 75 HD12 LEU 9 2HD1 LEU 9 -9.820 -1.781 -4.151 76 HD13 LEU 9 3HD1 LEU 9 -8.300 -1.379 -4.951 77 HD21 LEU 9 1HD2 LEU 9 -10.347 0.563 -3.659 78 HD22 LEU 9 2HD2 LEU 9 -10.244 1.777 -4.934 79 HD23 LEU 9 3HD2 LEU 9 -8.779 1.002 -4.334 80 H GLU 10 H GLU 10 -7.983 2.006 -9.003 81 HA GLU 10 HA GLU 10 -6.816 0.145 -10.777 82 HB2 GLU 10 1HB GLU 10 -7.103 3.141 -10.989 83 HB3 GLU 10 2HB GLU 10 -6.557 2.110 -12.304 84 HG2 GLU 10 1HG GLU 10 -8.709 0.905 -12.194 85 HG3 GLU 10 2HG GLU 10 -9.248 2.050 -10.964 86 H ARG 11 H ARG 11 -5.508 2.702 -8.795 87 HA ARG 11 HA ARG 11 -2.974 2.963 -9.933 88 HB2 ARG 11 1HB ARG 11 -4.307 4.196 -7.930 89 HB3 ARG 11 2HB ARG 11 -3.199 3.207 -6.992 90 HG2 ARG 11 1HG ARG 11 -2.393 5.160 -9.132 91 HG3 ARG 11 2HG ARG 11 -2.355 5.467 -7.397 92 HD2 ARG 11 1HD ARG 11 -0.686 3.817 -7.060 93 HD3 ARG 11 2HD ARG 11 -0.852 3.221 -8.711 94 HE ARG 11 HE ARG 11 0.106 5.958 -8.143 95 HH11 ARG 11 1HH1 ARG 11 0.549 2.821 -9.663 96 HH12 ARG 11 2HH1 ARG 11 1.921 3.334 -10.587 97 HH21 ARG 11 1HH2 ARG 11 1.881 6.622 -9.367 98 HH22 ARG 11 2HH2 ARG 11 2.675 5.503 -10.432 99 H ILE 12 H ILE 12 -4.156 0.865 -7.348 100 HA ILE 12 HA ILE 12 -1.531 -0.345 -7.069 101 HB ILE 12 HB ILE 12 -2.507 -1.566 -5.180 102 HG12 ILE 12 1HG1 ILE 12 -5.024 -0.000 -5.804 103 HG13 ILE 12 2HG1 ILE 12 -4.827 -1.732 -6.046 104 HG21 ILE 12 1HG2 ILE 12 -1.479 0.586 -4.815 105 HG22 ILE 12 2HG2 ILE 12 -2.890 0.425 -3.766 106 HG23 ILE 12 3HG2 ILE 12 -2.987 1.407 -5.226 107 HD11 ILE 12 1HD1 ILE 12 -4.755 -0.269 -3.421 108 HD12 ILE 12 2HD1 ILE 12 -4.457 -1.996 -3.625 109 HD13 ILE 12 3HD1 ILE 12 -6.041 -1.321 -4.013 110 H GLY 13 H GLY 13 -4.408 -0.937 -8.779 111 HA2 GLY 13 1HA GLY 13 -4.450 -2.498 -10.548 112 HA3 GLY 13 2HA GLY 13 -3.222 -3.438 -9.717 113 H LEU 14 H LEU 14 -5.992 -2.296 -7.989 114 HA LEU 14 HA LEU 14 -7.123 -5.006 -8.081 115 HB2 LEU 14 1HB LEU 14 -6.968 -3.075 -5.787 116 HB3 LEU 14 2HB LEU 14 -8.129 -4.385 -5.816 117 HG LEU 14 HG LEU 14 -6.370 -5.212 -4.534 118 HD11 LEU 14 1HD1 LEU 14 -5.799 -6.181 -7.319 119 HD12 LEU 14 2HD1 LEU 14 -7.095 -6.767 -6.275 120 HD13 LEU 14 3HD1 LEU 14 -5.409 -7.012 -5.814 121 HD21 LEU 14 1HD2 LEU 14 -4.734 -3.487 -4.997 122 HD22 LEU 14 2HD2 LEU 14 -4.444 -4.175 -6.595 123 HD23 LEU 14 3HD2 LEU 14 -4.027 -5.092 -5.148 124 H GLU 15 H GLU 15 -7.622 -2.734 -9.806 125 HA GLU 15 HA GLU 15 -10.063 -1.488 -9.253 126 HB2 GLU 15 1HB GLU 15 -10.203 -1.003 -11.600 127 HB3 GLU 15 2HB GLU 15 -8.528 -0.853 -11.099 128 HG2 GLU 15 1HG GLU 15 -9.727 -3.194 -12.563 129 HG3 GLU 15 2HG GLU 15 -8.744 -1.922 -13.279 130 H GLU 16 H GLU 16 -9.288 -4.687 -10.216 131 HA GLU 16 HA GLU 16 -11.697 -5.706 -11.114 132 HB2 GLU 16 1HB GLU 16 -10.901 -7.862 -10.173 133 HB3 GLU 16 2HB GLU 16 -9.662 -7.021 -11.097 134 HG2 GLU 16 1HG GLU 16 -8.646 -6.219 -9.043 135 HG3 GLU 16 2HG GLU 16 -9.907 -7.004 -8.097 136 H HIS 17 H HIS 17 -10.900 -4.505 -7.988 137 HA HIS 17 HA HIS 17 -13.311 -5.765 -6.862 138 HB2 HIS 17 1HB HIS 17 -10.736 -4.969 -5.519 139 HB3 HIS 17 2HB HIS 17 -12.196 -5.366 -4.624 140 HD1 HIS 17 HD1 HIS 17 -13.200 -7.888 -5.585 141 HD2 HIS 17 HD2 HIS 17 -9.118 -7.100 -5.654 142 HE1 HIS 17 HE1 HIS 17 -12.077 -10.132 -5.690 143 HE2 HIS 17 HE2 HIS 17 -9.647 -9.608 -6.031 144 H THR 18 H THR 18 -12.579 -2.994 -8.214 145 HA THR 18 HA THR 18 -12.950 -0.980 -6.336 146 HB THR 18 HB THR 18 -14.041 -0.941 -9.143 147 HG1 THR 18 HG1 THR 18 -11.964 -1.192 -9.564 148 HG21 THR 18 1HG2 THR 18 -14.858 0.862 -7.714 149 HG22 THR 18 2HG2 THR 18 -13.751 1.487 -8.937 150 HG23 THR 18 3HG2 THR 18 -13.201 1.273 -7.274 151 H SER 19 H SER 19 -15.406 -2.659 -8.275 152 HA SER 19 HA SER 19 -17.616 -1.320 -7.157 153 HB2 SER 19 1HB SER 19 -17.674 -2.573 -9.299 154 HB3 SER 19 2HB SER 19 -17.536 -4.078 -8.395 155 HG SER 19 HG SER 19 -19.681 -2.251 -8.495 156 H THR 20 H THR 20 -15.798 -4.153 -6.195 157 HA THR 20 HA THR 20 -17.547 -5.184 -4.266 158 HB THR 20 HB THR 20 -14.534 -5.181 -4.063 159 HG1 THR 20 HG1 THR 20 -16.227 -6.391 -5.892 160 HG21 THR 20 1HG2 THR 20 -14.880 -7.320 -2.927 161 HG22 THR 20 2HG2 THR 20 -16.623 -7.159 -3.139 162 HG23 THR 20 3HG2 THR 20 -15.753 -6.025 -2.106 163 H LEU 21 H LEU 21 -14.778 -2.974 -3.868 164 HA LEU 21 HA LEU 21 -15.237 -2.321 -1.186 165 HB2 LEU 21 1HB LEU 21 -13.893 -0.911 -3.464 166 HB3 LEU 21 2HB LEU 21 -14.113 -0.076 -1.947 167 HG LEU 21 HG LEU 21 -11.920 -0.912 -1.896 168 HD11 LEU 21 1HD1 LEU 21 -13.573 -2.920 -0.391 169 HD12 LEU 21 2HD1 LEU 21 -13.191 -1.292 0.166 170 HD13 LEU 21 3HD1 LEU 21 -11.901 -2.472 -0.066 171 HD21 LEU 21 1HD2 LEU 21 -11.300 -3.208 -2.366 172 HD22 LEU 21 2HD2 LEU 21 -12.095 -2.473 -3.759 173 HD23 LEU 21 3HD2 LEU 21 -12.980 -3.601 -2.732 174 H LEU 22 H LEU 22 -16.253 -0.714 -4.150 175 HA LEU 22 HA LEU 22 -17.567 1.485 -3.165 176 HB2 LEU 22 1HB LEU 22 -17.036 0.834 -5.554 177 HB3 LEU 22 2HB LEU 22 -18.477 -0.160 -5.513 178 HG LEU 22 HG LEU 22 -19.814 1.893 -5.055 179 HD11 LEU 22 1HD1 LEU 22 -17.210 3.282 -5.664 180 HD12 LEU 22 2HD1 LEU 22 -18.037 3.266 -4.109 181 HD13 LEU 22 3HD1 LEU 22 -18.781 4.063 -5.495 182 HD21 LEU 22 1HD2 LEU 22 -19.711 2.708 -7.356 183 HD22 LEU 22 2HD2 LEU 22 -19.618 0.948 -7.298 184 HD23 LEU 22 3HD2 LEU 22 -18.160 1.899 -7.576 185 H LEU 23 H LEU 23 -18.941 -1.730 -3.791 186 HA LEU 23 HA LEU 23 -21.576 -0.981 -2.996 187 HB2 LEU 23 1HB LEU 23 -20.331 -3.691 -3.413 188 HB3 LEU 23 2HB LEU 23 -22.041 -3.407 -3.165 189 HG LEU 23 HG LEU 23 -20.404 -2.442 -5.507 190 HD11 LEU 23 1HD1 LEU 23 -22.541 -4.555 -5.301 191 HD12 LEU 23 2HD1 LEU 23 -20.819 -4.830 -5.568 192 HD13 LEU 23 3HD1 LEU 23 -21.781 -4.003 -6.792 193 HD21 LEU 23 1HD2 LEU 23 -22.135 -0.838 -4.973 194 HD22 LEU 23 2HD2 LEU 23 -23.340 -2.123 -4.901 195 HD23 LEU 23 3HD2 LEU 23 -22.568 -1.724 -6.435 196 H ASN 24 H ASN 24 -18.795 -2.209 -1.345 197 HA ASN 24 HA ASN 24 -20.372 -3.116 0.919 198 HB2 ASN 24 1HB ASN 24 -17.504 -3.352 0.129 199 HB3 ASN 24 2HB ASN 24 -17.951 -3.573 1.817 200 HD21 ASN 24 1HD2 ASN 24 -18.228 -4.817 -1.410 201 HD22 ASN 24 2HD2 ASN 24 -18.869 -6.368 -0.977 202 H GLY 25 H GLY 25 -19.487 -0.202 -0.075 203 HA2 GLY 25 1HA GLY 25 -20.179 1.626 1.323 204 HA3 GLY 25 2HA GLY 25 -19.525 0.764 2.706 205 H TYR 26 H TYR 26 -17.375 0.377 0.266 206 HA TYR 26 HA TYR 26 -15.712 2.560 1.281 207 HB2 TYR 26 1HB TYR 26 -15.002 0.074 -0.273 208 HB3 TYR 26 2HB TYR 26 -13.842 1.281 0.277 209 HD1 TYR 26 HD1 TYR 26 -15.750 -1.634 1.153 210 HD2 TYR 26 HD2 TYR 26 -13.580 1.653 2.745 211 HE1 TYR 26 HE1 TYR 26 -15.594 -2.792 3.317 212 HE2 TYR 26 HE2 TYR 26 -13.411 0.507 4.907 213 HH TYR 26 HH TYR 26 -14.763 -1.266 6.147 214 H GLN 27 H GLN 27 -16.681 4.196 0.087 215 HA GLN 27 HA GLN 27 -16.590 3.913 -2.832 216 HB2 GLN 27 1HB GLN 27 -18.176 5.896 -1.208 217 HB3 GLN 27 2HB GLN 27 -18.348 5.547 -2.923 218 HG2 GLN 27 1HG GLN 27 -19.014 3.237 -2.326 219 HG3 GLN 27 2HG GLN 27 -18.965 3.705 -0.633 220 HE21 GLN 27 1HE2 GLN 27 -21.167 2.723 -2.249 221 HE22 GLN 27 2HE2 GLN 27 -22.407 3.925 -2.161 222 H THR 28 H THR 28 -15.232 5.522 -0.184 223 HA THR 28 HA THR 28 -13.862 7.368 -2.015 224 HB THR 28 HB THR 28 -13.760 9.040 -0.229 225 HG1 THR 28 HG1 THR 28 -15.417 7.203 1.215 226 HG21 THR 28 1HG2 THR 28 -16.561 8.070 -0.793 227 HG22 THR 28 2HG2 THR 28 -15.617 9.181 -1.789 228 HG23 THR 28 3HG2 THR 28 -16.144 9.671 -0.178 229 H LEU 29 H LEU 29 -11.754 8.131 -1.096 230 HA LEU 29 HA LEU 29 -10.141 5.982 -0.228 231 HB2 LEU 29 1HB LEU 29 -9.610 8.951 -0.068 232 HB3 LEU 29 2HB LEU 29 -8.400 7.689 0.060 233 HG LEU 29 HG LEU 29 -10.056 8.299 -2.389 234 HD11 LEU 29 1HD1 LEU 29 -7.132 8.764 -1.826 235 HD12 LEU 29 2HD1 LEU 29 -8.378 10.008 -1.937 236 HD13 LEU 29 3HD1 LEU 29 -7.952 9.056 -3.361 237 HD21 LEU 29 1HD2 LEU 29 -9.506 5.917 -2.144 238 HD22 LEU 29 2HD2 LEU 29 -7.797 6.342 -2.029 239 HD23 LEU 29 3HD2 LEU 29 -8.690 6.666 -3.515 240 H GLU 30 H GLU 30 -11.952 8.439 1.388 241 HA GLU 30 HA GLU 30 -10.866 8.273 3.972 242 HB2 GLU 30 1HB GLU 30 -13.705 8.898 3.146 243 HB3 GLU 30 2HB GLU 30 -12.973 9.288 4.698 244 HG2 GLU 30 1HG GLU 30 -11.474 10.845 3.662 245 HG3 GLU 30 2HG GLU 30 -12.016 10.361 2.055 246 H ASP 31 H ASP 31 -13.175 6.318 2.233 247 HA ASP 31 HA ASP 31 -13.940 4.790 4.563 248 HB2 ASP 31 1HB ASP 31 -14.436 4.215 1.633 249 HB3 ASP 31 2HB ASP 31 -15.190 3.389 2.988 250 H PHE 32 H PHE 32 -11.928 4.390 1.703 251 HA PHE 32 HA PHE 32 -11.387 1.661 2.049 252 HB2 PHE 32 1HB PHE 32 -11.058 2.951 -0.058 253 HB3 PHE 32 2HB PHE 32 -9.628 3.683 0.660 254 HD1 PHE 32 HD1 PHE 32 -11.085 0.593 -0.666 255 HD2 PHE 32 HD2 PHE 32 -7.599 2.427 0.925 256 HE1 PHE 32 HE1 PHE 32 -9.738 -1.319 -1.425 257 HE2 PHE 32 HE2 PHE 32 -6.248 0.527 0.168 258 HZ PHE 32 HZ PHE 32 -7.312 -1.349 -1.011 259 H LYS 33 H LYS 33 -9.856 4.493 3.434 260 HA LYS 33 HA LYS 33 -7.525 3.153 4.342 261 HB2 LYS 33 1HB LYS 33 -7.241 5.104 5.831 262 HB3 LYS 33 2HB LYS 33 -7.539 5.552 4.159 263 HG2 LYS 33 1HG LYS 33 -9.886 5.989 4.706 264 HG3 LYS 33 2HG LYS 33 -9.554 5.582 6.389 265 HD2 LYS 33 1HD LYS 33 -9.552 7.994 6.065 266 HD3 LYS 33 2HD LYS 33 -7.945 7.420 6.513 267 HE2 LYS 33 1HE LYS 33 -7.233 7.531 4.197 268 HE3 LYS 33 2HE LYS 33 -8.852 8.013 3.698 269 HZ1 LYS 33 1HZ LYS 33 -8.603 10.025 5.025 270 HZ2 LYS 33 2HZ LYS 33 -7.393 9.919 3.848 271 HZ3 LYS 33 3HZ LYS 33 -7.040 9.559 5.465 272 H GLU 34 H GLU 34 -10.695 2.776 5.214 273 HA GLU 34 HA GLU 34 -10.042 1.873 7.929 274 HB2 GLU 34 1HB GLU 34 -12.759 2.064 6.633 275 HB3 GLU 34 2HB GLU 34 -12.413 1.823 8.337 276 HG2 GLU 34 1HG GLU 34 -11.349 4.087 8.343 277 HG3 GLU 34 2HG GLU 34 -11.961 4.301 6.704 278 H LEU 35 H LEU 35 -9.999 0.737 4.903 279 HA LEU 35 HA LEU 35 -11.462 -1.702 5.115 280 HB2 LEU 35 1HB LEU 35 -10.991 -0.506 2.997 281 HB3 LEU 35 2HB LEU 35 -9.291 -0.859 3.191 282 HG LEU 35 HG LEU 35 -10.605 -2.256 1.531 283 HD11 LEU 35 1HD1 LEU 35 -9.087 -3.707 3.685 284 HD12 LEU 35 2HD1 LEU 35 -8.362 -2.821 2.342 285 HD13 LEU 35 3HD1 LEU 35 -9.341 -4.254 2.028 286 HD21 LEU 35 1HD2 LEU 35 -11.847 -4.143 2.407 287 HD22 LEU 35 2HD2 LEU 35 -12.567 -2.628 2.951 288 HD23 LEU 35 3HD2 LEU 35 -11.575 -3.580 4.055 289 H ARG 36 H ARG 36 -10.827 -3.608 5.906 290 HA ARG 36 HA ARG 36 -7.992 -3.982 6.550 291 HB2 ARG 36 1HB ARG 36 -10.341 -4.570 8.348 292 HB3 ARG 36 2HB ARG 36 -8.699 -5.101 8.666 293 HG2 ARG 36 1HG ARG 36 -9.680 -2.259 8.523 294 HG3 ARG 36 2HG ARG 36 -9.159 -3.138 9.965 295 HD2 ARG 36 1HD ARG 36 -6.910 -3.376 8.926 296 HD3 ARG 36 2HD ARG 36 -7.462 -2.350 7.606 297 HE ARG 36 HE ARG 36 -7.816 -1.117 10.160 298 HH11 ARG 36 1HH1 ARG 36 -5.523 -1.762 7.611 299 HH12 ARG 36 2HH1 ARG 36 -4.457 -0.454 8.043 300 HH21 ARG 36 1HH2 ARG 36 -6.450 0.631 10.718 301 HH22 ARG 36 2HH2 ARG 36 -5.001 0.911 9.804 302 H GLU 37 H GLU 37 -7.492 -6.321 7.082 303 HA GLU 37 HA GLU 37 -8.177 -7.896 4.869 304 HB2 GLU 37 1HB GLU 37 -6.102 -8.179 6.179 305 HB3 GLU 37 2HB GLU 37 -7.051 -8.812 7.517 306 HG2 GLU 37 1HG GLU 37 -7.819 -10.644 6.059 307 HG3 GLU 37 2HG GLU 37 -6.758 -10.035 4.790 308 H THR 38 H THR 38 -9.297 -7.971 8.214 309 HA THR 38 HA THR 38 -10.992 -10.180 8.050 310 HB THR 38 HB THR 38 -11.349 -7.680 9.716 311 HG1 THR 38 HG1 THR 38 -9.615 -9.849 9.857 312 HG21 THR 38 1HG2 THR 38 -13.354 -9.068 9.684 313 HG22 THR 38 2HG2 THR 38 -12.567 -9.146 11.261 314 HG23 THR 38 3HG2 THR 38 -12.394 -10.481 10.122 315 H HIS 39 H HIS 39 -11.348 -6.916 6.938 316 HA HIS 39 HA HIS 39 -14.182 -7.067 6.498 317 HB2 HIS 39 1HB HIS 39 -12.139 -5.122 5.400 318 HB3 HIS 39 2HB HIS 39 -13.885 -4.943 5.272 319 HD1 HIS 39 HD1 HIS 39 -13.091 -2.595 6.537 320 HD2 HIS 39 HD2 HIS 39 -13.152 -6.099 8.768 321 HE1 HIS 39 HE1 HIS 39 -12.955 -1.870 8.937 322 HE2 HIS 39 HE2 HIS 39 -13.182 -3.996 10.274 323 H LEU 40 H LEU 40 -11.245 -7.439 4.584 324 HA LEU 40 HA LEU 40 -12.395 -7.842 2.075 325 HB2 LEU 40 1HB LEU 40 -9.836 -8.455 3.368 326 HB3 LEU 40 2HB LEU 40 -10.248 -9.522 2.042 327 HG LEU 40 HG LEU 40 -9.966 -7.902 0.464 328 HD11 LEU 40 1HD1 LEU 40 -11.714 -6.419 1.205 329 HD12 LEU 40 2HD1 LEU 40 -10.259 -5.488 0.870 330 HD13 LEU 40 3HD1 LEU 40 -10.710 -5.852 2.536 331 HD21 LEU 40 1HD2 LEU 40 -7.857 -8.118 1.670 332 HD22 LEU 40 2HD2 LEU 40 -8.332 -6.801 2.741 333 HD23 LEU 40 3HD2 LEU 40 -8.065 -6.492 1.027 334 H ASN 41 H ASN 41 -11.919 -10.073 4.745 335 HA ASN 41 HA ASN 41 -12.789 -12.420 3.511 336 HB2 ASN 41 1HB ASN 41 -13.106 -11.434 6.343 337 HB3 ASN 41 2HB ASN 41 -13.642 -13.031 5.836 338 HD21 ASN 41 1HD2 ASN 41 -11.640 -12.340 7.781 339 HD22 ASN 41 2HD2 ASN 41 -10.160 -13.052 7.243 340 H GLU 42 H GLU 42 -14.583 -9.797 4.995 341 HA GLU 42 HA GLU 42 -17.154 -10.951 4.650 342 HB2 GLU 42 1HB GLU 42 -16.339 -8.085 5.117 343 HB3 GLU 42 2HB GLU 42 -17.965 -8.725 5.295 344 HG2 GLU 42 1HG GLU 42 -15.554 -9.489 6.919 345 HG3 GLU 42 2HG GLU 42 -16.912 -8.502 7.452 346 H LEU 43 H LEU 43 -15.145 -8.781 2.789 347 HA LEU 43 HA LEU 43 -17.143 -8.201 0.817 348 HB2 LEU 43 1HB LEU 43 -14.227 -7.643 1.124 349 HB3 LEU 43 2HB LEU 43 -14.967 -7.448 -0.449 350 HG LEU 43 HG LEU 43 -16.580 -5.846 0.574 351 HD11 LEU 43 1HD1 LEU 43 -14.772 -6.075 2.963 352 HD12 LEU 43 2HD1 LEU 43 -16.471 -6.546 2.882 353 HD13 LEU 43 3HD1 LEU 43 -16.019 -4.849 2.731 354 HD21 LEU 43 1HD2 LEU 43 -15.009 -4.007 0.689 355 HD22 LEU 43 2HD2 LEU 43 -14.615 -5.098 -0.641 356 HD23 LEU 43 3HD2 LEU 43 -13.672 -5.149 0.851 357 H ASN 44 H ASN 44 -15.532 -10.939 1.504 358 HA ASN 44 HA ASN 44 -15.274 -12.932 0.463 359 HB2 ASN 44 1HB ASN 44 -17.546 -12.203 -0.522 360 HB3 ASN 44 2HB ASN 44 -16.638 -11.832 -1.980 361 HD21 ASN 44 1HD2 ASN 44 -15.847 -13.502 -3.239 362 HD22 ASN 44 2HD2 ASN 44 -16.279 -15.154 -2.981 363 H ILE 45 H ILE 45 -13.407 -10.670 0.130 364 HA ILE 45 HA ILE 45 -12.133 -11.293 -2.416 365 HB ILE 45 HB ILE 45 -11.245 -9.368 -0.261 366 HG12 ILE 45 1HG1 ILE 45 -12.678 -8.880 -2.883 367 HG13 ILE 45 2HG1 ILE 45 -13.394 -8.736 -1.282 368 HG21 ILE 45 1HG2 ILE 45 -9.416 -10.200 -1.679 369 HG22 ILE 45 2HG2 ILE 45 -9.728 -8.487 -1.951 370 HG23 ILE 45 3HG2 ILE 45 -10.303 -9.684 -3.113 371 HD11 ILE 45 1HD1 ILE 45 -12.848 -6.566 -2.207 372 HD12 ILE 45 2HD1 ILE 45 -11.159 -7.047 -2.373 373 HD13 ILE 45 3HD1 ILE 45 -11.882 -6.901 -0.770 374 H MET 46 H MET 46 -11.556 -13.392 -2.107 375 HA MET 46 HA MET 46 -9.988 -14.159 0.209 376 HB2 MET 46 1HB MET 46 -10.937 -15.750 -2.174 377 HB3 MET 46 2HB MET 46 -10.111 -16.423 -0.776 378 HG2 MET 46 1HG MET 46 -12.738 -14.970 -0.636 379 HG3 MET 46 2HG MET 46 -12.585 -16.715 -0.797 380 HE1 MET 46 1HE MET 46 -13.160 -13.930 1.594 381 HE2 MET 46 2HE MET 46 -11.426 -13.659 1.432 382 HE3 MET 46 3HE MET 46 -12.090 -14.213 2.967 383 H ASP 47 H ASP 47 -9.420 -12.928 -2.851 384 HA ASP 47 HA ASP 47 -7.091 -14.202 -3.726 385 HB2 ASP 47 1HB ASP 47 -7.878 -11.293 -3.982 386 HB3 ASP 47 2HB ASP 47 -6.650 -12.097 -4.949 387 HA PRO 48 HA PRO 48 -4.868 -13.277 0.049 388 HB2 PRO 48 1HB PRO 48 -2.643 -14.584 -1.391 389 HB3 PRO 48 2HB PRO 48 -3.358 -14.970 0.174 390 HG2 PRO 48 1HG PRO 48 -3.816 -16.501 -1.952 391 HG3 PRO 48 2HG PRO 48 -5.083 -16.181 -0.756 392 HD2 PRO 48 1HD PRO 48 -4.693 -14.990 -3.464 393 HD3 PRO 48 2HD PRO 48 -6.190 -15.487 -2.655 394 H GLN 49 H GLN 49 -3.009 -12.945 -2.985 395 HA GLN 49 HA GLN 49 -1.244 -11.007 -1.877 396 HB2 GLN 49 1HB GLN 49 -1.841 -11.839 -4.709 397 HB3 GLN 49 2HB GLN 49 -0.660 -10.601 -4.316 398 HG2 GLN 49 1HG GLN 49 0.632 -12.198 -3.038 399 HG3 GLN 49 2HG GLN 49 -0.577 -13.442 -3.332 400 HE21 GLN 49 1HE2 GLN 49 1.989 -11.553 -4.711 401 HE22 GLN 49 2HE2 GLN 49 2.169 -12.484 -6.155 402 H HIS 50 H HIS 50 -4.230 -10.897 -3.659 403 HA HIS 50 HA HIS 50 -4.148 -8.119 -4.263 404 HB2 HIS 50 1HB HIS 50 -6.465 -10.048 -4.133 405 HB3 HIS 50 2HB HIS 50 -6.575 -8.415 -4.771 406 HD1 HIS 50 HD1 HIS 50 -7.340 -9.826 -7.017 407 HD2 HIS 50 HD2 HIS 50 -3.339 -10.037 -5.899 408 HE1 HIS 50 HE1 HIS 50 -6.121 -10.719 -9.017 409 HE2 HIS 50 HE2 HIS 50 -3.691 -10.651 -8.387 410 H ARG 51 H ARG 51 -5.565 -10.040 -1.681 411 HA ARG 51 HA ARG 51 -6.730 -8.033 -0.144 412 HB2 ARG 51 1HB ARG 51 -5.295 -10.571 0.639 413 HB3 ARG 51 2HB ARG 51 -6.116 -9.544 1.808 414 HG2 ARG 51 1HG ARG 51 -8.202 -10.063 0.997 415 HG3 ARG 51 2HG ARG 51 -7.581 -10.525 -0.587 416 HD2 ARG 51 1HD ARG 51 -8.316 -12.479 0.645 417 HD3 ARG 51 2HD ARG 51 -6.581 -12.522 0.380 418 HE ARG 51 HE ARG 51 -6.244 -12.098 2.682 419 HH11 ARG 51 1HH1 ARG 51 -9.628 -12.334 1.849 420 HH12 ARG 51 2HH1 ARG 51 -10.112 -12.875 3.433 421 HH21 ARG 51 1HH2 ARG 51 -6.873 -12.825 4.763 422 HH22 ARG 51 2HH2 ARG 51 -8.547 -13.165 5.078 423 H ALA 52 H ALA 52 -3.457 -9.340 -0.028 424 HA ALA 52 HA ALA 52 -2.400 -7.796 1.994 425 HB1 ALA 52 1HB ALA 52 -1.374 -9.780 0.868 426 HB2 ALA 52 2HB ALA 52 -0.267 -8.446 1.172 427 HB3 ALA 52 3HB ALA 52 -0.903 -8.709 -0.451 428 H LYS 53 H LYS 53 -2.612 -7.078 -1.463 429 HA LYS 53 HA LYS 53 -1.245 -4.615 -1.387 430 HB2 LYS 53 1HB LYS 53 -3.442 -5.444 -3.286 431 HB3 LYS 53 2HB LYS 53 -2.258 -4.170 -3.551 432 HG2 LYS 53 1HG LYS 53 -0.495 -5.990 -3.310 433 HG3 LYS 53 2HG LYS 53 -1.825 -7.134 -3.471 434 HD2 LYS 53 1HD LYS 53 -0.958 -6.913 -5.637 435 HD3 LYS 53 2HD LYS 53 -2.396 -5.895 -5.634 436 HE2 LYS 53 1HE LYS 53 -1.028 -3.918 -5.305 437 HE3 LYS 53 2HE LYS 53 0.419 -4.921 -5.189 438 HZ1 LYS 53 1HZ LYS 53 -1.310 -4.617 -7.583 439 HZ2 LYS 53 2HZ LYS 53 0.041 -5.628 -7.483 440 HZ3 LYS 53 3HZ LYS 53 0.229 -3.953 -7.374 441 H LEU 54 H LEU 54 -4.712 -5.366 -1.287 442 HA LEU 54 HA LEU 54 -5.718 -2.795 -1.149 443 HB2 LEU 54 1HB LEU 54 -6.737 -5.335 0.106 444 HB3 LEU 54 2HB LEU 54 -7.664 -3.851 0.023 445 HG LEU 54 HG LEU 54 -6.627 -5.311 -2.402 446 HD11 LEU 54 1HD1 LEU 54 -8.207 -6.727 -1.241 447 HD12 LEU 54 2HD1 LEU 54 -8.940 -6.070 -2.706 448 HD13 LEU 54 3HD1 LEU 54 -9.355 -5.392 -1.130 449 HD21 LEU 54 1HD2 LEU 54 -8.284 -3.916 -3.570 450 HD22 LEU 54 2HD2 LEU 54 -7.022 -2.963 -2.790 451 HD23 LEU 54 3HD2 LEU 54 -8.621 -3.081 -2.055 452 H LEU 55 H LEU 55 -4.687 -4.902 1.525 453 HA LEU 55 HA LEU 55 -5.388 -3.128 3.599 454 HB2 LEU 55 1HB LEU 55 -3.373 -5.352 3.453 455 HB3 LEU 55 2HB LEU 55 -3.579 -4.395 4.903 456 HG LEU 55 HG LEU 55 -5.155 -5.810 5.551 457 HD11 LEU 55 1HD1 LEU 55 -6.637 -4.936 3.087 458 HD12 LEU 55 2HD1 LEU 55 -6.695 -4.179 4.680 459 HD13 LEU 55 3HD1 LEU 55 -7.342 -5.805 4.451 460 HD21 LEU 55 1HD2 LEU 55 -4.132 -7.525 4.199 461 HD22 LEU 55 2HD2 LEU 55 -5.048 -6.997 2.788 462 HD23 LEU 55 3HD2 LEU 55 -5.888 -7.704 4.168 463 H THR 56 H THR 56 -2.376 -3.564 1.816 464 HA THR 56 HA THR 56 -0.781 -1.777 3.268 465 HB THR 56 HB THR 56 -0.612 -2.388 0.317 466 HG1 THR 56 HG1 THR 56 -0.545 -4.332 1.349 467 HG21 THR 56 1HG2 THR 56 0.808 -0.523 1.055 468 HG22 THR 56 2HG2 THR 56 1.768 -1.933 0.599 469 HG23 THR 56 3HG2 THR 56 1.503 -1.560 2.301 470 H ALA 57 H ALA 57 -2.852 -1.308 0.450 471 HA ALA 57 HA ALA 57 -2.271 1.391 0.005 472 HB1 ALA 57 1HB ALA 57 -4.512 1.410 -1.131 473 HB2 ALA 57 2HB ALA 57 -4.694 -0.269 -0.619 474 HB3 ALA 57 3HB ALA 57 -3.377 0.189 -1.698 475 H ALA 58 H ALA 58 -4.794 -0.174 1.948 476 HA ALA 58 HA ALA 58 -6.065 2.140 2.867 477 HB1 ALA 58 1HB ALA 58 -6.972 -0.126 3.125 478 HB2 ALA 58 2HB ALA 58 -6.946 0.754 4.654 479 HB3 ALA 58 3HB ALA 58 -5.726 -0.480 4.323 480 H GLU 59 H GLU 59 -3.291 0.367 4.140 481 HA GLU 59 HA GLU 59 -2.891 1.752 6.524 482 HB2 GLU 59 1HB GLU 59 -0.860 0.516 4.657 483 HB3 GLU 59 2HB GLU 59 -0.517 1.025 6.301 484 HG2 GLU 59 1HG GLU 59 -2.564 -1.047 5.577 485 HG3 GLU 59 2HG GLU 59 -0.897 -1.411 6.010 486 H LEU 60 H LEU 60 -1.446 2.353 3.326 487 HA LEU 60 HA LEU 60 -0.044 4.654 4.217 488 HB2 LEU 60 1HB LEU 60 -0.451 3.282 1.639 489 HB3 LEU 60 2HB LEU 60 -0.039 4.983 1.553 490 HG LEU 60 HG LEU 60 2.016 4.598 2.772 491 HD11 LEU 60 1HD1 LEU 60 1.116 1.731 2.939 492 HD12 LEU 60 2HD1 LEU 60 1.328 2.856 4.284 493 HD13 LEU 60 3HD1 LEU 60 2.727 2.314 3.355 494 HD21 LEU 60 1HD2 LEU 60 1.506 2.761 0.463 495 HD22 LEU 60 2HD2 LEU 60 3.109 3.005 1.156 496 HD23 LEU 60 3HD2 LEU 60 2.238 4.364 0.443 497 H LEU 61 H LEU 61 -3.191 4.214 2.656 498 HA LEU 61 HA LEU 61 -3.617 6.971 2.125 499 HB2 LEU 61 1HB LEU 61 -5.599 4.757 2.629 500 HB3 LEU 61 2HB LEU 61 -6.029 6.361 2.075 501 HG LEU 61 HG LEU 61 -4.393 4.321 0.577 502 HD11 LEU 61 1HD1 LEU 61 -6.244 4.018 -0.771 503 HD12 LEU 61 2HD1 LEU 61 -6.980 5.541 -0.280 504 HD13 LEU 61 3HD1 LEU 61 -6.961 4.176 0.833 505 HD21 LEU 61 1HD2 LEU 61 -3.541 6.559 0.134 506 HD22 LEU 61 2HD2 LEU 61 -5.176 7.132 -0.197 507 HD23 LEU 61 3HD2 LEU 61 -4.423 5.946 -1.265 508 H LEU 62 H LEU 62 -3.843 5.034 4.965 509 HA LEU 62 HA LEU 62 -5.544 6.756 6.456 510 HB2 LEU 62 1HB LEU 62 -5.184 4.336 6.911 511 HB3 LEU 62 2HB LEU 62 -3.559 4.715 7.447 512 HG LEU 62 HG LEU 62 -4.481 6.071 9.283 513 HD11 LEU 62 1HD1 LEU 62 -6.566 6.764 8.249 514 HD12 LEU 62 2HD1 LEU 62 -6.882 5.946 9.778 515 HD13 LEU 62 3HD1 LEU 62 -7.144 5.099 8.254 516 HD21 LEU 62 1HD2 LEU 62 -5.602 3.276 9.145 517 HD22 LEU 62 2HD2 LEU 62 -5.327 4.215 10.613 518 HD23 LEU 62 3HD2 LEU 62 -3.959 3.704 9.622 519 H ASP 63 H ASP 63 -2.095 6.515 5.948 520 HA ASP 63 HA ASP 63 -1.638 8.681 7.865 521 HB2 ASP 63 1HB ASP 63 0.106 6.606 6.634 522 HB3 ASP 63 2HB ASP 63 0.842 8.131 7.116 523 H TYR 64 H TYR 64 -0.847 7.846 4.512 524 HA TYR 64 HA TYR 64 0.236 10.479 4.013 525 HB2 TYR 64 1HB TYR 64 -0.106 8.053 2.248 526 HB3 TYR 64 2HB TYR 64 0.664 9.548 1.730 527 HD1 TYR 64 HD1 TYR 64 2.843 10.182 2.591 528 HD2 TYR 64 HD2 TYR 64 1.004 6.538 3.764 529 HE1 TYR 64 HE1 TYR 64 4.991 9.399 3.478 530 HE2 TYR 64 HE2 TYR 64 3.142 5.738 4.655 531 HH TYR 64 HH TYR 64 5.828 7.784 5.115 532 H ASP 65 H ASP 65 -2.340 10.823 4.687 533 HA ASP 65 HA ASP 65 -4.039 10.869 2.356 534 HB2 ASP 65 1HB ASP 65 -4.900 10.465 4.665 535 HB3 ASP 65 2HB ASP 65 -4.499 12.131 5.064 536 H THR 66 H THR 66 -1.818 12.197 1.737 537 HA THR 66 HA THR 66 -0.885 14.136 1.026 538 HB THR 66 HB THR 66 -2.532 15.690 -0.120 539 HG1 THR 66 HG1 THR 66 -4.279 14.527 1.405 540 HG21 THR 66 1HG2 THR 66 -2.989 14.109 -1.905 541 HG22 THR 66 2HG2 THR 66 -2.692 12.762 -0.811 542 HG23 THR 66 3HG2 THR 66 -1.371 13.840 -1.257 543 H GLY 67 H GLY 67 -1.073 14.233 3.780 544 HA2 GLY 67 1HA GLY 67 -2.294 16.763 4.531 545 HA3 GLY 67 2HA GLY 67 -1.491 15.632 5.607 546 H CYS 68 H CYS 68 -0.133 16.929 2.654 547 HA CYS 68 HA CYS 68 1.702 18.163 2.189 548 HB2 CYS 68 1HB CYS 68 1.020 19.424 4.840 549 HB3 CYS 68 2HB CYS 68 2.248 20.041 3.742 550 H GLU 69 H GLU 69 3.968 18.671 2.873 551 HA GLU 69 HA GLU 69 4.945 16.476 4.556 552 HB2 GLU 69 1HB GLU 69 7.109 16.813 3.272 553 HB3 GLU 69 2HB GLU 69 5.762 16.142 2.367 554 HG2 GLU 69 1HG GLU 69 5.342 18.281 1.334 555 HG3 GLU 69 2HG GLU 69 6.598 19.033 2.317 556 H1 GLY 1 1H GLY 1 2.670 7.424 11.065 557 H2 GLY 1 2H GLY 1 1.422 8.550 10.928 558 H3 GLY 1 3H GLY 1 2.891 9.003 11.632 559 HA2 GLY 1 2HA GLY 1 2.396 8.320 8.793 560 HA3 GLY 1 1HA GLY 1 2.833 9.895 9.440 561 HA PRO 2 HA PRO 2 6.626 6.768 9.273 562 HB2 PRO 2 1HB PRO 2 6.246 6.091 6.433 563 HB3 PRO 2 2HB PRO 2 6.694 5.050 7.787 564 HG2 PRO 2 1HG PRO 2 4.269 4.908 6.664 565 HG3 PRO 2 2HG PRO 2 4.502 4.682 8.408 566 HD2 PRO 2 1HD PRO 2 3.503 7.084 6.924 567 HD3 PRO 2 2HD PRO 2 2.936 6.388 8.458 568 H LYS 3 H LYS 3 8.273 8.106 9.143 569 HA LYS 3 HA LYS 3 8.374 10.060 6.975 570 HB2 LYS 3 1HB LYS 3 10.087 9.863 9.450 571 HB3 LYS 3 2HB LYS 3 10.051 11.199 8.313 572 HG2 LYS 3 1HG LYS 3 7.804 10.327 10.114 573 HG3 LYS 3 2HG LYS 3 8.818 11.753 10.318 574 HD2 LYS 3 1HD LYS 3 6.959 11.240 7.995 575 HD3 LYS 3 2HD LYS 3 6.617 12.296 9.364 576 HE2 LYS 3 1HE LYS 3 8.865 12.640 7.385 577 HE3 LYS 3 2HE LYS 3 7.363 13.560 7.407 578 HZ1 LYS 3 1HZ LYS 3 9.098 14.818 8.450 579 HZ2 LYS 3 2HZ LYS 3 9.456 13.554 9.512 580 HZ3 LYS 3 3HZ LYS 3 7.978 14.363 9.630 581 H THR 4 H THR 4 9.843 7.150 8.032 582 HA THR 4 HA THR 4 11.923 7.490 5.999 583 HB THR 4 HB THR 4 13.448 6.132 7.408 584 HG1 THR 4 HG1 THR 4 12.428 6.494 9.797 585 HG21 THR 4 1HG2 THR 4 12.432 8.671 8.680 586 HG22 THR 4 2HG2 THR 4 13.652 8.553 7.412 587 HG23 THR 4 3HG2 THR 4 13.986 7.908 9.019 588 H LEU 5 H LEU 5 12.993 5.255 5.594 589 HA LEU 5 HA LEU 5 11.101 3.697 4.261 590 HB2 LEU 5 1HB LEU 5 13.557 3.969 3.767 591 HB3 LEU 5 2HB LEU 5 13.885 2.878 5.093 592 HG LEU 5 HG LEU 5 13.906 1.984 2.675 593 HD11 LEU 5 1HD1 LEU 5 14.131 0.540 4.584 594 HD12 LEU 5 2HD1 LEU 5 13.032 -0.194 3.413 595 HD13 LEU 5 3HD1 LEU 5 12.390 0.582 4.863 596 HD21 LEU 5 1HD2 LEU 5 11.770 1.208 1.844 597 HD22 LEU 5 2HD2 LEU 5 11.764 2.963 2.028 598 HD23 LEU 5 3HD2 LEU 5 10.947 1.948 3.217 599 H HIS 6 H HIS 6 12.976 2.983 7.187 600 HA HIS 6 HA HIS 6 11.931 0.491 7.788 601 HB2 HIS 6 1HB HIS 6 13.862 1.478 8.922 602 HB3 HIS 6 2HB HIS 6 12.823 2.668 9.684 603 HD1 HIS 6 HD1 HIS 6 13.042 2.054 12.088 604 HD2 HIS 6 HD2 HIS 6 12.186 -1.240 9.701 605 HE1 HIS 6 HE1 HIS 6 12.699 0.137 13.674 606 HE2 HIS 6 HE2 HIS 6 12.287 -1.867 12.209 607 H GLU 7 H GLU 7 10.710 3.683 8.648 608 HA GLU 7 HA GLU 7 8.656 2.859 10.373 609 HB2 GLU 7 1HB GLU 7 8.855 5.300 8.613 610 HB3 GLU 7 2HB GLU 7 7.656 5.081 9.879 611 HG2 GLU 7 1HG GLU 7 10.627 5.120 10.316 612 HG3 GLU 7 2HG GLU 7 9.555 6.497 10.548 613 H LEU 8 H LEU 8 8.747 3.395 6.890 614 HA LEU 8 HA LEU 8 5.975 3.035 6.451 615 HB2 LEU 8 1HB LEU 8 7.693 4.147 4.946 616 HB3 LEU 8 2HB LEU 8 8.183 2.536 4.468 617 HG LEU 8 HG LEU 8 6.587 3.798 2.932 618 HD11 LEU 8 1HD1 LEU 8 5.261 1.759 2.446 619 HD12 LEU 8 2HD1 LEU 8 5.921 1.039 3.912 620 HD13 LEU 8 3HD1 LEU 8 6.995 1.473 2.583 621 HD21 LEU 8 1HD2 LEU 8 4.584 2.961 5.013 622 HD22 LEU 8 2HD2 LEU 8 4.242 3.734 3.463 623 HD23 LEU 8 3HD2 LEU 8 5.111 4.617 4.717 624 H LEU 9 H LEU 9 8.759 0.867 6.249 625 HA LEU 9 HA LEU 9 7.383 -1.399 5.346 626 HB2 LEU 9 1HB LEU 9 9.939 -0.959 6.821 627 HB3 LEU 9 2HB LEU 9 9.312 -2.586 6.683 628 HG LEU 9 HG LEU 9 11.016 -1.985 4.961 629 HD11 LEU 9 1HD1 LEU 9 9.453 -3.798 4.583 630 HD12 LEU 9 2HD1 LEU 9 9.782 -2.936 3.079 631 HD13 LEU 9 3HD1 LEU 9 8.266 -2.661 3.943 632 HD21 LEU 9 1HD2 LEU 9 10.395 -0.565 3.115 633 HD22 LEU 9 2HD2 LEU 9 10.323 0.345 4.626 634 HD23 LEU 9 3HD2 LEU 9 8.837 -0.224 3.867 635 H GLU 10 H GLU 10 8.024 -0.241 8.638 636 HA GLU 10 HA GLU 10 6.774 -2.404 9.956 637 HB2 GLU 10 1HB GLU 10 7.168 0.458 10.823 638 HB3 GLU 10 2HB GLU 10 6.566 -0.813 11.876 639 HG2 GLU 10 1HG GLU 10 8.674 -2.048 11.513 640 HG3 GLU 10 2HG GLU 10 9.272 -0.676 10.577 641 H ARG 11 H ARG 11 5.581 0.574 8.587 642 HA ARG 11 HA ARG 11 3.043 0.678 9.746 643 HB2 ARG 11 1HB ARG 11 4.445 2.264 8.066 644 HB3 ARG 11 2HB ARG 11 3.316 1.547 6.927 645 HG2 ARG 11 1HG ARG 11 2.553 3.017 9.437 646 HG3 ARG 11 2HG ARG 11 2.547 3.694 7.811 647 HD2 ARG 11 1HD ARG 11 0.820 2.228 7.120 648 HD3 ARG 11 2HD ARG 11 0.947 1.274 8.597 649 HE ARG 11 HE ARG 11 0.098 4.105 8.650 650 HH11 ARG 11 1HH1 ARG 11 -0.477 0.729 9.424 651 HH12 ARG 11 2HH1 ARG 11 -1.841 1.071 10.435 652 HH21 ARG 11 1HH2 ARG 11 -1.664 4.545 9.996 653 HH22 ARG 11 2HH2 ARG 11 -2.503 3.245 10.785 654 H ILE 12 H ILE 12 4.177 -0.845 6.767 655 HA ILE 12 HA ILE 12 1.515 -1.865 6.218 656 HB ILE 12 HB ILE 12 2.469 -2.678 4.109 657 HG12 ILE 12 1HG1 ILE 12 5.035 -1.383 5.068 658 HG13 ILE 12 2HG1 ILE 12 4.772 -3.118 4.923 659 HG21 ILE 12 1HG2 ILE 12 1.523 -0.464 4.223 660 HG22 ILE 12 2HG2 ILE 12 2.939 -0.440 3.169 661 HG23 ILE 12 3HG2 ILE 12 3.053 0.192 4.811 662 HD11 ILE 12 1HD1 ILE 12 4.782 -1.111 2.685 663 HD12 ILE 12 2HD1 ILE 12 4.416 -2.828 2.502 664 HD13 ILE 12 3HD1 ILE 12 6.021 -2.318 3.034 665 H GLY 13 H GLY 13 4.354 -2.926 7.755 666 HA2 GLY 13 1HA GLY 13 4.322 -4.837 9.140 667 HA3 GLY 13 2HA GLY 13 3.068 -5.526 8.121 668 H LEU 14 H LEU 14 5.894 -4.135 6.696 669 HA LEU 14 HA LEU 14 6.925 -6.842 6.194 670 HB2 LEU 14 1HB LEU 14 6.868 -4.450 4.378 671 HB3 LEU 14 2HB LEU 14 7.979 -5.778 4.124 672 HG LEU 14 HG LEU 14 6.204 -6.233 2.686 673 HD11 LEU 14 1HD1 LEU 14 5.571 -7.772 5.186 674 HD12 LEU 14 2HD1 LEU 14 6.853 -8.161 4.040 675 HD13 LEU 14 3HD1 LEU 14 5.165 -8.235 3.534 676 HD21 LEU 14 1HD2 LEU 14 4.628 -4.594 3.515 677 HD22 LEU 14 2HD2 LEU 14 4.296 -5.607 4.921 678 HD23 LEU 14 3HD2 LEU 14 3.861 -6.164 3.307 679 H GLU 15 H GLU 15 7.488 -5.022 8.378 680 HA GLU 15 HA GLU 15 9.978 -3.781 8.120 681 HB2 GLU 15 1HB GLU 15 10.106 -3.831 10.516 682 HB3 GLU 15 2HB GLU 15 8.445 -3.513 10.054 683 HG2 GLU 15 1HG GLU 15 9.536 -6.164 10.967 684 HG3 GLU 15 2HG GLU 15 8.600 -5.040 11.946 685 H GLU 16 H GLU 16 9.073 -7.082 8.353 686 HA GLU 16 HA GLU 16 11.432 -8.366 9.012 687 HB2 GLU 16 1HB GLU 16 10.568 -10.231 7.619 688 HB3 GLU 16 2HB GLU 16 9.351 -9.568 8.703 689 HG2 GLU 16 1HG GLU 16 8.378 -8.304 6.876 690 HG3 GLU 16 2HG GLU 16 9.628 -8.890 5.783 691 H HIS 17 H HIS 17 10.723 -6.469 6.232 692 HA HIS 17 HA HIS 17 13.095 -7.548 4.857 693 HB2 HIS 17 1HB HIS 17 10.564 -6.378 3.717 694 HB3 HIS 17 2HB HIS 17 12.017 -6.619 2.761 695 HD1 HIS 17 HD1 HIS 17 12.918 -9.325 3.144 696 HD2 HIS 17 HD2 HIS 17 8.869 -8.421 3.372 697 HE1 HIS 17 HE1 HIS 17 11.721 -11.491 2.746 698 HE2 HIS 17 HE2 HIS 17 9.308 -10.969 3.196 699 H THR 18 H THR 18 12.453 -5.118 6.788 700 HA THR 18 HA THR 18 12.911 -2.754 5.401 701 HB THR 18 HB THR 18 13.978 -3.373 8.149 702 HG1 THR 18 HG1 THR 18 11.886 -3.644 8.494 703 HG21 THR 18 1HG2 THR 18 14.871 -1.333 7.153 704 HG22 THR 18 2HG2 THR 18 13.774 -0.951 8.479 705 HG23 THR 18 3HG2 THR 18 13.234 -0.776 6.809 706 H SER 19 H SER 19 15.290 -4.908 6.927 707 HA SER 19 HA SER 19 17.551 -3.432 6.132 708 HB2 SER 19 1HB SER 19 17.547 -5.122 7.947 709 HB3 SER 19 2HB SER 19 17.376 -6.388 6.737 710 HG SER 19 HG SER 19 19.575 -4.724 7.285 711 H THR 20 H THR 20 15.657 -5.936 4.573 712 HA THR 20 HA THR 20 17.386 -6.567 2.464 713 HB THR 20 HB THR 20 14.375 -6.423 2.271 714 HG1 THR 20 HG1 THR 20 15.995 -8.008 3.823 715 HG21 THR 20 1HG2 THR 20 14.652 -8.250 0.673 716 HG22 THR 20 2HG2 THR 20 16.400 -8.208 0.913 717 HG23 THR 20 3HG2 THR 20 15.579 -6.837 0.167 718 H LEU 21 H LEU 21 14.697 -4.224 2.556 719 HA LEU 21 HA LEU 21 15.209 -3.014 0.085 720 HB2 LEU 21 1HB LEU 21 13.888 -2.091 2.613 721 HB3 LEU 21 2HB LEU 21 14.156 -0.951 1.318 722 HG LEU 21 HG LEU 21 11.936 -1.672 1.076 723 HD11 LEU 21 1HD1 LEU 21 13.532 -3.361 -0.831 724 HD12 LEU 21 2HD1 LEU 21 13.217 -1.637 -1.016 725 HD13 LEU 21 3HD1 LEU 21 11.881 -2.788 -1.054 726 HD21 LEU 21 1HD2 LEU 21 11.229 -3.992 1.027 727 HD22 LEU 21 2HD2 LEU 21 12.033 -3.611 2.551 728 HD23 LEU 21 3HD2 LEU 21 12.890 -4.518 1.303 729 H LEU 22 H LEU 22 16.251 -2.138 3.334 730 HA LEU 22 HA LEU 22 17.652 0.175 2.860 731 HB2 LEU 22 1HB LEU 22 17.072 -0.963 5.046 732 HB3 LEU 22 2HB LEU 22 18.475 -1.978 4.793 733 HG LEU 22 HG LEU 22 19.893 0.072 4.803 734 HD11 LEU 22 1HD1 LEU 22 17.330 1.388 5.687 735 HD12 LEU 22 2HD1 LEU 22 18.179 1.684 4.173 736 HD13 LEU 22 3HD1 LEU 22 18.930 2.130 5.705 737 HD21 LEU 22 1HD2 LEU 22 19.786 0.366 7.227 738 HD22 LEU 22 2HD2 LEU 22 19.634 -1.334 6.781 739 HD23 LEU 22 3HD2 LEU 22 18.204 -0.415 7.254 740 H LEU 23 H LEU 23 18.899 -3.150 2.764 741 HA LEU 23 HA LEU 23 21.572 -2.345 2.162 742 HB2 LEU 23 1HB LEU 23 20.224 -5.031 1.968 743 HB3 LEU 23 2HB LEU 23 21.945 -4.765 1.796 744 HG LEU 23 HG LEU 23 20.315 -4.275 4.287 745 HD11 LEU 23 1HD1 LEU 23 22.376 -6.370 3.626 746 HD12 LEU 23 2HD1 LEU 23 20.643 -6.629 3.823 747 HD13 LEU 23 3HD1 LEU 23 21.622 -6.131 5.202 748 HD21 LEU 23 1HD2 LEU 23 22.108 -2.658 4.128 749 HD22 LEU 23 2HD2 LEU 23 23.267 -3.941 3.778 750 HD23 LEU 23 3HD2 LEU 23 22.492 -3.861 5.359 751 H ASN 24 H ASN 24 18.766 -3.076 0.276 752 HA ASN 24 HA ASN 24 20.332 -3.520 -2.129 753 HB2 ASN 24 1HB ASN 24 17.449 -3.816 -1.420 754 HB3 ASN 24 2HB ASN 24 17.906 -3.670 -3.113 755 HD21 ASN 24 1HD2 ASN 24 18.115 -5.614 -0.243 756 HD22 ASN 24 2HD2 ASN 24 18.692 -7.054 -1.015 757 H GLY 25 H GLY 25 19.540 -0.866 -0.515 758 HA2 GLY 25 1HA GLY 25 20.312 1.201 -1.469 759 HA3 GLY 25 2HA GLY 25 19.650 0.688 -3.012 760 H TYR 26 H TYR 26 17.455 -0.147 -0.728 761 HA TYR 26 HA TYR 26 15.885 2.267 -1.245 762 HB2 TYR 26 1HB TYR 26 15.069 -0.471 -0.280 763 HB3 TYR 26 2HB TYR 26 13.959 0.870 -0.553 764 HD1 TYR 26 HD1 TYR 26 15.774 -1.849 -2.045 765 HD2 TYR 26 HD2 TYR 26 13.735 1.785 -2.877 766 HE1 TYR 26 HE1 TYR 26 15.596 -2.497 -4.411 767 HE2 TYR 26 HE2 TYR 26 13.544 1.149 -5.238 768 HH TYR 26 HH TYR 26 14.868 -0.366 -6.833 769 H GLN 27 H GLN 27 16.897 3.562 0.285 770 HA GLN 27 HA GLN 27 16.758 2.649 3.069 771 HB2 GLN 27 1HB GLN 27 18.432 4.877 1.928 772 HB3 GLN 27 2HB GLN 27 18.574 4.152 3.522 773 HG2 GLN 27 1HG GLN 27 19.167 2.009 2.430 774 HG3 GLN 27 2HG GLN 27 19.148 2.841 0.882 775 HE21 GLN 27 1HE2 GLN 27 21.302 1.454 2.254 776 HE22 GLN 27 2HE2 GLN 27 22.581 2.604 2.426 777 H THR 28 H THR 28 15.491 4.853 0.836 778 HA THR 28 HA THR 28 14.172 6.303 3.027 779 HB THR 28 HB THR 28 14.149 8.329 1.655 780 HG1 THR 28 HG1 THR 28 15.771 6.821 -0.159 781 HG21 THR 28 1HG2 THR 28 16.912 7.150 1.973 782 HG22 THR 28 2HG2 THR 28 16.011 8.051 3.193 783 HG23 THR 28 3HG2 THR 28 16.558 8.861 1.726 784 H LEU 29 H LEU 29 12.102 7.335 2.284 785 HA LEU 29 HA LEU 29 10.423 5.485 0.963 786 HB2 LEU 29 1HB LEU 29 9.996 8.435 1.460 787 HB3 LEU 29 2HB LEU 29 8.745 7.273 1.054 788 HG LEU 29 HG LEU 29 10.399 7.266 3.579 789 HD11 LEU 29 1HD1 LEU 29 7.501 7.957 3.128 790 HD12 LEU 29 2HD1 LEU 29 8.791 9.095 3.515 791 HD13 LEU 29 3HD1 LEU 29 8.316 7.869 4.691 792 HD21 LEU 29 1HD2 LEU 29 9.764 5.020 2.816 793 HD22 LEU 29 2HD2 LEU 29 8.074 5.524 2.793 794 HD23 LEU 29 3HD2 LEU 29 8.961 5.480 4.315 795 H GLU 30 H GLU 30 12.343 8.167 -0.061 796 HA GLU 30 HA GLU 30 11.284 8.613 -2.625 797 HB2 GLU 30 1HB GLU 30 14.134 8.943 -1.669 798 HB3 GLU 30 2HB GLU 30 13.432 9.688 -3.100 799 HG2 GLU 30 1HG GLU 30 11.957 11.014 -1.744 800 HG3 GLU 30 2HG GLU 30 12.495 10.187 -0.286 801 H ASP 31 H ASP 31 13.504 6.240 -1.348 802 HA ASP 31 HA ASP 31 14.240 5.236 -3.955 803 HB2 ASP 31 1HB ASP 31 14.675 4.014 -1.221 804 HB3 ASP 31 2HB ASP 31 15.398 3.457 -2.721 805 H PHE 32 H PHE 32 12.169 4.294 -1.269 806 HA PHE 32 HA PHE 32 11.541 1.728 -2.208 807 HB2 PHE 32 1HB PHE 32 11.236 2.531 0.130 808 HB3 PHE 32 2HB PHE 32 9.840 3.455 -0.411 809 HD1 PHE 32 HD1 PHE 32 11.170 0.096 0.206 810 HD2 PHE 32 HD2 PHE 32 7.772 2.364 -0.952 811 HE1 PHE 32 HE1 PHE 32 9.746 -1.884 0.521 812 HE2 PHE 32 HE2 PHE 32 6.344 0.399 -0.636 813 HZ PHE 32 HZ PHE 32 7.326 -1.729 0.104 814 H LYS 33 H LYS 33 10.121 4.848 -2.931 815 HA LYS 33 HA LYS 33 7.759 3.826 -4.122 816 HB2 LYS 33 1HB LYS 33 7.561 6.065 -5.147 817 HB3 LYS 33 2HB LYS 33 7.857 6.124 -3.416 818 HG2 LYS 33 1HG LYS 33 10.224 6.584 -3.847 819 HG3 LYS 33 2HG LYS 33 9.896 6.569 -5.580 820 HD2 LYS 33 1HD LYS 33 9.974 8.847 -4.736 821 HD3 LYS 33 2HD LYS 33 8.353 8.448 -5.302 822 HE2 LYS 33 1HE LYS 33 7.620 8.078 -3.018 823 HE3 LYS 33 2HE LYS 33 9.250 8.377 -2.422 824 HZ1 LYS 33 1HZ LYS 33 9.092 10.637 -3.282 825 HZ2 LYS 33 2HZ LYS 33 7.869 10.325 -2.153 826 HZ3 LYS 33 3HZ LYS 33 7.514 10.341 -3.808 827 H GLU 34 H GLU 34 10.926 3.536 -5.048 828 HA GLU 34 HA GLU 34 10.269 3.275 -7.893 829 HB2 GLU 34 1HB GLU 34 12.977 3.075 -6.588 830 HB3 GLU 34 2HB GLU 34 12.637 3.227 -8.303 831 HG2 GLU 34 1HG GLU 34 11.658 5.476 -7.817 832 HG3 GLU 34 2HG GLU 34 12.258 5.303 -6.168 833 H LEU 35 H LEU 35 10.152 1.503 -5.195 834 HA LEU 35 HA LEU 35 11.524 -0.884 -5.936 835 HB2 LEU 35 1HB LEU 35 11.075 -0.166 -3.609 836 HB3 LEU 35 2HB LEU 35 9.365 -0.403 -3.880 837 HG LEU 35 HG LEU 35 10.610 -2.180 -2.566 838 HD11 LEU 35 1HD1 LEU 35 9.065 -3.064 -4.991 839 HD12 LEU 35 2HD1 LEU 35 8.358 -2.468 -3.487 840 HD13 LEU 35 3HD1 LEU 35 9.282 -3.969 -3.494 841 HD21 LEU 35 1HD2 LEU 35 11.791 -3.873 -3.833 842 HD22 LEU 35 2HD2 LEU 35 12.572 -2.303 -4.029 843 HD23 LEU 35 3HD2 LEU 35 11.558 -2.951 -5.317 844 H ARG 36 H ARG 36 10.826 -2.547 -7.124 845 HA ARG 36 HA ARG 36 7.990 -2.658 -7.852 846 HB2 ARG 36 1HB ARG 36 10.340 -2.924 -9.727 847 HB3 ARG 36 2HB ARG 36 8.683 -3.310 -10.161 848 HG2 ARG 36 1HG ARG 36 9.766 -0.609 -9.393 849 HG3 ARG 36 2HG ARG 36 9.227 -1.130 -10.993 850 HD2 ARG 36 1HD ARG 36 6.962 -1.500 -10.042 851 HD3 ARG 36 2HD ARG 36 7.535 -0.819 -8.522 852 HE ARG 36 HE ARG 36 7.970 0.938 -10.734 853 HH11 ARG 36 1HH1 ARG 36 5.621 -0.174 -8.403 854 HH12 ARG 36 2HH1 ARG 36 4.615 1.240 -8.529 855 HH21 ARG 36 1HH2 ARG 36 6.661 2.818 -10.899 856 HH22 ARG 36 2HH2 ARG 36 5.213 2.933 -9.952 857 H GLU 37 H GLU 37 7.411 -4.801 -8.884 858 HA GLU 37 HA GLU 37 8.016 -6.850 -7.069 859 HB2 GLU 37 1HB GLU 37 5.949 -6.754 -8.418 860 HB3 GLU 37 2HB GLU 37 6.891 -7.115 -9.859 861 HG2 GLU 37 1HG GLU 37 7.570 -9.252 -8.831 862 HG3 GLU 37 2HG GLU 37 6.507 -8.894 -7.470 863 H THR 38 H THR 38 9.173 -6.229 -10.341 864 HA THR 38 HA THR 38 10.782 -8.482 -10.663 865 HB THR 38 HB THR 38 11.240 -5.695 -11.748 866 HG1 THR 38 HG1 THR 38 9.419 -7.703 -12.333 867 HG21 THR 38 1HG2 THR 38 13.198 -7.134 -12.010 868 HG22 THR 38 2HG2 THR 38 12.428 -6.833 -13.567 869 HG23 THR 38 3HG2 THR 38 12.193 -8.378 -12.752 870 H HIS 39 H HIS 39 11.244 -5.563 -8.860 871 HA HIS 39 HA HIS 39 14.066 -5.913 -8.463 872 HB2 HIS 39 1HB HIS 39 12.090 -4.177 -6.964 873 HB3 HIS 39 2HB HIS 39 13.842 -4.098 -6.804 874 HD1 HIS 39 HD1 HIS 39 13.129 -1.501 -7.516 875 HD2 HIS 39 HD2 HIS 39 13.096 -4.423 -10.469 876 HE1 HIS 39 HE1 HIS 39 13.055 -0.256 -9.696 877 HE2 HIS 39 HE2 HIS 39 13.246 -2.039 -11.467 878 H LEU 40 H LEU 40 11.099 -6.579 -6.682 879 HA LEU 40 HA LEU 40 12.206 -7.570 -4.322 880 HB2 LEU 40 1HB LEU 40 9.639 -7.787 -5.725 881 HB3 LEU 40 2HB LEU 40 9.999 -9.135 -4.667 882 HG LEU 40 HG LEU 40 9.757 -7.892 -2.770 883 HD11 LEU 40 1HD1 LEU 40 11.564 -6.348 -3.161 884 HD12 LEU 40 2HD1 LEU 40 10.138 -5.461 -2.634 885 HD13 LEU 40 3HD1 LEU 40 10.593 -5.466 -4.338 886 HD21 LEU 40 1HD2 LEU 40 7.655 -7.761 -4.000 887 HD22 LEU 40 2HD2 LEU 40 8.188 -6.259 -4.755 888 HD23 LEU 40 3HD2 LEU 40 7.913 -6.323 -3.015 889 H ASN 41 H ASN 41 11.683 -9.134 -7.420 890 HA ASN 41 HA ASN 41 12.445 -11.731 -6.726 891 HB2 ASN 41 1HB ASN 41 12.828 -10.159 -9.270 892 HB3 ASN 41 2HB ASN 41 13.306 -11.845 -9.128 893 HD21 ASN 41 1HD2 ASN 41 11.347 -10.659 -10.873 894 HD22 ASN 41 2HD2 ASN 41 9.840 -11.425 -10.521 895 H GLU 42 H GLU 42 14.355 -8.914 -7.586 896 HA GLU 42 HA GLU 42 16.877 -10.223 -7.500 897 HB2 GLU 42 1HB GLU 42 16.178 -7.292 -7.321 898 HB3 GLU 42 2HB GLU 42 17.779 -7.942 -7.640 899 HG2 GLU 42 1HG GLU 42 15.351 -8.235 -9.389 900 HG3 GLU 42 2HG GLU 42 16.744 -7.200 -9.689 901 H LEU 43 H LEU 43 14.928 -8.433 -5.216 902 HA LEU 43 HA LEU 43 16.919 -8.379 -3.156 903 HB2 LEU 43 1HB LEU 43 14.032 -7.652 -3.345 904 HB3 LEU 43 2HB LEU 43 14.757 -7.837 -1.765 905 HG LEU 43 HG LEU 43 16.443 -6.114 -2.405 906 HD11 LEU 43 1HD1 LEU 43 14.652 -5.745 -4.789 907 HD12 LEU 43 2HD1 LEU 43 16.332 -6.287 -4.810 908 HD13 LEU 43 3HD1 LEU 43 15.941 -4.646 -4.292 909 HD21 LEU 43 1HD2 LEU 43 14.938 -4.234 -2.114 910 HD22 LEU 43 2HD2 LEU 43 14.491 -5.575 -1.059 911 HD23 LEU 43 3HD2 LEU 43 13.564 -5.261 -2.528 912 H ASN 44 H ASN 44 15.227 -10.834 -4.437 913 HA ASN 44 HA ASN 44 14.886 -12.997 -3.863 914 HB2 ASN 44 1HB ASN 44 17.169 -12.579 -2.733 915 HB3 ASN 44 2HB ASN 44 16.257 -12.507 -1.232 916 HD21 ASN 44 1HD2 ASN 44 15.388 -14.383 -0.381 917 HD22 ASN 44 2HD2 ASN 44 15.781 -15.952 -0.985 918 H ILE 45 H ILE 45 13.098 -10.793 -3.036 919 HA ILE 45 HA ILE 45 11.765 -11.914 -0.701 920 HB ILE 45 HB ILE 45 10.975 -9.532 -2.382 921 HG12 ILE 45 1HG1 ILE 45 12.394 -9.684 0.287 922 HG13 ILE 45 2HG1 ILE 45 13.133 -9.220 -1.241 923 HG21 ILE 45 1HG2 ILE 45 9.099 -10.584 -1.185 924 HG22 ILE 45 2HG2 ILE 45 9.471 -8.984 -0.543 925 HG23 ILE 45 3HG2 ILE 45 9.990 -10.427 0.329 926 HD11 ILE 45 1HD1 ILE 45 12.654 -7.285 0.138 927 HD12 ILE 45 2HD1 ILE 45 10.947 -7.730 0.189 928 HD13 ILE 45 3HD1 ILE 45 11.692 -7.261 -1.340 929 H MET 46 H MET 46 11.116 -13.869 -1.470 930 HA MET 46 HA MET 46 9.553 -14.046 -3.906 931 HB2 MET 46 1HB MET 46 10.407 -16.157 -1.926 932 HB3 MET 46 2HB MET 46 9.583 -16.474 -3.442 933 HG2 MET 46 1HG MET 46 12.262 -15.131 -3.239 934 HG3 MET 46 2HG MET 46 12.042 -16.862 -3.464 935 HE1 MET 46 1HE MET 46 12.740 -13.628 -5.187 936 HE2 MET 46 2HE MET 46 11.014 -13.354 -4.972 937 HE3 MET 46 3HE MET 46 11.675 -13.573 -6.590 938 H ASP 47 H ASP 47 8.998 -13.512 -0.644 939 HA ASP 47 HA ASP 47 6.613 -14.847 -0.076 940 HB2 ASP 47 1HB ASP 47 7.510 -12.099 0.810 941 HB3 ASP 47 2HB ASP 47 6.236 -13.037 1.572 942 HA PRO 48 HA PRO 48 4.468 -13.032 -3.565 943 HB2 PRO 48 1HB PRO 48 2.179 -14.534 -2.458 944 HB3 PRO 48 2HB PRO 48 2.901 -14.600 -4.065 945 HG2 PRO 48 1HG PRO 48 3.269 -16.571 -2.317 946 HG3 PRO 48 2HG PRO 48 4.563 -16.054 -3.410 947 HD2 PRO 48 1HD PRO 48 4.186 -15.464 -0.509 948 HD3 PRO 48 2HD PRO 48 5.672 -15.832 -1.404 949 H GLN 49 H GLN 49 2.593 -13.300 -0.537 950 HA GLN 49 HA GLN 49 0.902 -11.108 -1.196 951 HB2 GLN 49 1HB GLN 49 1.443 -12.569 1.383 952 HB3 GLN 49 2HB GLN 49 0.316 -11.227 1.276 953 HG2 GLN 49 1HG GLN 49 -1.032 -12.442 -0.321 954 HG3 GLN 49 2HG GLN 49 0.121 -13.772 -0.318 955 HE21 GLN 49 1HE2 GLN 49 -2.369 -12.129 1.457 956 HE22 GLN 49 2HE2 GLN 49 -2.606 -13.354 2.651 957 H HIS 50 H HIS 50 3.871 -11.502 0.578 958 HA HIS 50 HA HIS 50 3.883 -8.924 1.775 959 HB2 HIS 50 1HB HIS 50 6.133 -10.861 1.228 960 HB3 HIS 50 2HB HIS 50 6.290 -9.415 2.213 961 HD1 HIS 50 HD1 HIS 50 6.981 -11.313 4.096 962 HD2 HIS 50 HD2 HIS 50 2.989 -11.136 2.940 963 HE1 HIS 50 HE1 HIS 50 5.710 -12.583 5.839 964 HE2 HIS 50 HE2 HIS 50 3.289 -12.282 5.236 965 H ARG 51 H ARG 51 5.259 -10.282 -1.162 966 HA ARG 51 HA ARG 51 6.513 -8.032 -2.216 967 HB2 ARG 51 1HB ARG 51 4.997 -10.281 -3.544 968 HB3 ARG 51 2HB ARG 51 5.867 -9.054 -4.455 969 HG2 ARG 51 1HG ARG 51 7.925 -9.816 -3.772 970 HG3 ARG 51 2HG ARG 51 7.271 -10.590 -2.329 971 HD2 ARG 51 1HD ARG 51 7.948 -12.256 -3.954 972 HD3 ARG 51 2HD ARG 51 6.210 -12.288 -3.713 973 HE ARG 51 HE ARG 51 5.913 -11.365 -5.867 974 HH11 ARG 51 1HH1 ARG 51 9.278 -11.897 -5.096 975 HH12 ARG 51 2HH1 ARG 51 9.762 -12.083 -6.757 976 HH21 ARG 51 1HH2 ARG 51 6.542 -11.623 -8.052 977 HH22 ARG 51 2HH2 ARG 51 8.207 -11.931 -8.434 978 H ALA 52 H ALA 52 3.198 -9.155 -2.626 979 HA ALA 52 HA ALA 52 2.217 -7.168 -4.262 980 HB1 ALA 52 1HB ALA 52 1.109 -9.313 -3.604 981 HB2 ALA 52 2HB ALA 52 0.053 -7.904 -3.609 982 HB3 ALA 52 3HB ALA 52 0.662 -8.541 -2.082 983 H LYS 53 H LYS 53 2.418 -7.240 -0.730 984 HA LYS 53 HA LYS 53 1.143 -4.771 -0.266 985 HB2 LYS 53 1HB LYS 53 3.287 -6.078 1.410 986 HB3 LYS 53 2HB LYS 53 2.147 -4.851 1.945 987 HG2 LYS 53 1HG LYS 53 0.322 -6.505 1.305 988 HG3 LYS 53 2HG LYS 53 1.608 -7.706 1.216 989 HD2 LYS 53 1HD LYS 53 0.727 -7.932 3.376 990 HD3 LYS 53 2HD LYS 53 2.198 -6.990 3.600 991 HE2 LYS 53 1HE LYS 53 0.902 -4.940 3.704 992 HE3 LYS 53 2HE LYS 53 -0.577 -5.843 3.370 993 HZ1 LYS 53 1HZ LYS 53 1.136 -6.125 5.779 994 HZ2 LYS 53 2HZ LYS 53 -0.249 -7.041 5.459 995 HZ3 LYS 53 3HZ LYS 53 -0.377 -5.374 5.716 996 H LEU 54 H LEU 54 4.581 -5.609 -0.519 997 HA LEU 54 HA LEU 54 5.679 -3.110 -0.085 998 HB2 LEU 54 1HB LEU 54 6.620 -5.347 -1.866 999 HB3 LEU 54 2HB LEU 54 7.598 -3.953 -1.455 1000 HG LEU 54 HG LEU 54 6.482 -5.871 0.585 1001 HD11 LEU 54 1HD1 LEU 54 8.021 -7.057 -0.852 1002 HD12 LEU 54 2HD1 LEU 54 8.762 -6.764 0.722 1003 HD13 LEU 54 3HD1 LEU 54 9.218 -5.774 -0.666 1004 HD21 LEU 54 1HD2 LEU 54 8.171 -4.834 2.040 1005 HD22 LEU 54 2HD2 LEU 54 6.958 -3.682 1.479 1006 HD23 LEU 54 3HD2 LEU 54 8.561 -3.701 0.746 1007 H LEU 55 H LEU 55 4.599 -4.534 -3.159 1008 HA LEU 55 HA LEU 55 5.389 -2.377 -4.791 1009 HB2 LEU 55 1HB LEU 55 3.293 -4.502 -5.144 1010 HB3 LEU 55 2HB LEU 55 3.550 -3.257 -6.347 1011 HG LEU 55 HG LEU 55 5.081 -4.555 -7.288 1012 HD11 LEU 55 1HD1 LEU 55 6.564 -4.300 -4.684 1013 HD12 LEU 55 2HD1 LEU 55 6.667 -3.213 -6.072 1014 HD13 LEU 55 3HD1 LEU 55 7.253 -4.872 -6.205 1015 HD21 LEU 55 1HD2 LEU 55 3.983 -6.486 -6.346 1016 HD22 LEU 55 2HD2 LEU 55 4.901 -6.313 -4.850 1017 HD23 LEU 55 3HD2 LEU 55 5.731 -6.731 -6.350 1018 H THR 56 H THR 56 2.346 -3.083 -3.158 1019 HA THR 56 HA THR 56 0.830 -0.962 -4.184 1020 HB THR 56 HB THR 56 0.604 -2.205 -1.443 1021 HG1 THR 56 HG1 THR 56 0.478 -3.870 -2.877 1022 HG21 THR 56 1HG2 THR 56 -0.737 -0.170 -1.752 1023 HG22 THR 56 2HG2 THR 56 -1.753 -1.608 -1.620 1024 HG23 THR 56 3HG2 THR 56 -1.458 -0.880 -3.198 1025 H ALA 57 H ALA 57 2.886 -1.206 -1.327 1026 HA ALA 57 HA ALA 57 2.396 1.350 -0.301 1027 HB1 ALA 57 1HB ALA 57 4.622 1.037 0.821 1028 HB2 ALA 57 2HB ALA 57 4.753 -0.494 -0.048 1029 HB3 ALA 57 3HB ALA 57 3.439 -0.237 1.099 1030 H ALA 58 H ALA 58 4.882 0.159 -2.531 1031 HA ALA 58 HA ALA 58 6.245 2.569 -2.914 1032 HB1 ALA 58 1HB ALA 58 7.076 0.385 -3.663 1033 HB2 ALA 58 2HB ALA 58 7.098 1.581 -4.960 1034 HB3 ALA 58 3HB ALA 58 5.832 0.349 -4.914 1035 H GLU 59 H GLU 59 3.424 1.227 -4.554 1036 HA GLU 59 HA GLU 59 3.104 3.119 -6.574 1037 HB2 GLU 59 1HB GLU 59 1.005 1.578 -5.039 1038 HB3 GLU 59 2HB GLU 59 0.702 2.450 -6.532 1039 HG2 GLU 59 1HG GLU 59 2.661 0.190 -6.271 1040 HG3 GLU 59 2HG GLU 59 0.991 -0.003 -6.788 1041 H LEU 60 H LEU 60 1.647 3.052 -3.327 1042 HA LEU 60 HA LEU 60 0.335 5.543 -3.696 1043 HB2 LEU 60 1HB LEU 60 0.665 3.623 -1.480 1044 HB3 LEU 60 2HB LEU 60 0.311 5.278 -1.026 1045 HG LEU 60 HG LEU 60 -1.742 5.246 -2.302 1046 HD11 LEU 60 1HD1 LEU 60 -0.944 2.456 -3.099 1047 HD12 LEU 60 2HD1 LEU 60 -1.104 3.860 -4.160 1048 HD13 LEU 60 3HD1 LEU 60 -2.530 3.177 -3.377 1049 HD21 LEU 60 1HD2 LEU 60 -1.328 2.924 -0.457 1050 HD22 LEU 60 2HD2 LEU 60 -2.912 3.382 -1.082 1051 HD23 LEU 60 3HD2 LEU 60 -1.997 4.513 -0.083 1052 H LEU 61 H LEU 61 3.447 4.651 -2.261 1053 HA LEU 61 HA LEU 61 3.966 7.206 -1.134 1054 HB2 LEU 61 1HB LEU 61 5.873 5.085 -2.108 1055 HB3 LEU 61 2HB LEU 61 6.356 6.511 -1.214 1056 HG LEU 61 HG LEU 61 4.630 4.256 -0.205 1057 HD11 LEU 61 1HD1 LEU 61 6.455 3.593 1.048 1058 HD12 LEU 61 2HD1 LEU 61 7.250 5.160 0.905 1059 HD13 LEU 61 3HD1 LEU 61 7.193 4.072 -0.480 1060 HD21 LEU 61 1HD2 LEU 61 3.856 6.371 0.714 1061 HD22 LEU 61 2HD2 LEU 61 5.506 6.794 1.169 1062 HD23 LEU 61 3HD2 LEU 61 4.697 5.433 1.948 1063 H LEU 62 H LEU 62 4.150 5.936 -4.329 1064 HA LEU 62 HA LEU 62 5.933 7.875 -5.397 1065 HB2 LEU 62 1HB LEU 62 5.486 5.634 -6.378 1066 HB3 LEU 62 2HB LEU 62 3.883 6.184 -6.821 1067 HG LEU 62 HG LEU 62 4.873 7.873 -8.309 1068 HD11 LEU 62 1HD1 LEU 62 6.970 8.243 -7.140 1069 HD12 LEU 62 2HD1 LEU 62 7.273 7.772 -8.812 1070 HD13 LEU 62 3HD1 LEU 62 7.489 6.600 -7.514 1071 HD21 LEU 62 1HD2 LEU 62 5.890 5.076 -8.787 1072 HD22 LEU 62 2HD2 LEU 62 5.665 6.324 -10.013 1073 HD23 LEU 62 3HD2 LEU 62 4.270 5.660 -9.162 1074 H ASP 63 H ASP 63 2.468 7.667 -4.974 1075 HA ASP 63 HA ASP 63 2.116 10.218 -6.365 1076 HB2 ASP 63 1HB ASP 63 0.281 7.992 -5.624 1077 HB3 ASP 63 2HB ASP 63 -0.391 9.612 -5.778 1078 H TYR 64 H TYR 64 1.269 8.692 -3.280 1079 HA TYR 64 HA TYR 64 0.266 11.187 -2.216 1080 HB2 TYR 64 1HB TYR 64 0.498 8.420 -1.028 1081 HB3 TYR 64 2HB TYR 64 -0.220 9.793 -0.195 1082 HD1 TYR 64 HD1 TYR 64 -2.368 10.681 -0.898 1083 HD2 TYR 64 HD2 TYR 64 -0.650 7.320 -2.845 1084 HE1 TYR 64 HE1 TYR 64 -4.534 10.195 -1.941 1085 HE2 TYR 64 HE2 TYR 64 -2.808 6.816 -3.896 1086 HH TYR 64 HH TYR 64 -5.418 9.017 -3.887 1087 H ASP 65 H ASP 65 2.862 11.572 -2.791 1088 HA ASP 65 HA ASP 65 4.534 11.042 -0.502 1089 HB2 ASP 65 1HB ASP 65 5.411 11.129 -2.839 1090 HB3 ASP 65 2HB ASP 65 5.068 12.856 -2.863 1091 H THR 66 H THR 66 2.349 12.286 0.385 1092 HA THR 66 HA THR 66 1.485 14.054 1.513 1093 HB THR 66 HB THR 66 3.185 15.252 2.971 1094 HG1 THR 66 HG1 THR 66 4.890 14.412 1.230 1095 HG21 THR 66 1HG2 THR 66 3.559 13.301 4.367 1096 HG22 THR 66 2HG2 THR 66 3.217 12.238 3.004 1097 HG23 THR 66 3HG2 THR 66 1.938 13.248 3.674 1098 H GLY 67 H GLY 67 1.700 14.748 -1.154 1099 HA2 GLY 67 1HA GLY 67 3.025 17.330 -1.328 1100 HA3 GLY 67 2HA GLY 67 2.190 16.495 -2.628 1101 H CYS 68 H CYS 68 0.848 17.157 0.534 1102 HA CYS 68 HA CYS 68 -0.944 18.329 1.254 1103 HB2 CYS 68 1HB CYS 68 -0.186 20.115 -1.053 1104 HB3 CYS 68 2HB CYS 68 -1.398 20.524 0.155 1105 H GLU 69 H GLU 69 -3.184 19.051 0.704 1106 HA GLU 69 HA GLU 69 -4.226 17.333 -1.431 1107 HB2 GLU 69 1HB GLU 69 -6.389 17.463 -0.114 1108 HB3 GLU 69 2HB GLU 69 -5.079 16.557 0.626 1109 HG2 GLU 69 1HG GLU 69 -4.595 18.393 2.108 1110 HG3 GLU 69 2HG GLU 69 -5.807 19.395 1.311 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 -2.674 12.956 -8.268 2 H2 GLY 1 2H GLY 1 -2.554 12.036 -9.679 3 H3 GLY 1 3H GLY 1 -1.178 12.336 -8.747 4 HA2 GLY 1 2HA GLY 1 -1.974 10.084 -8.412 5 HA3 GLY 1 1HA GLY 1 -2.050 11.039 -6.936 6 HA PRO 2 HA PRO 2 -6.248 9.089 -8.118 7 HB2 PRO 2 1HB PRO 2 -5.855 7.657 -5.569 8 HB3 PRO 2 2HB PRO 2 -6.433 7.049 -7.123 9 HG2 PRO 2 1HG PRO 2 -3.997 6.428 -6.225 10 HG3 PRO 2 2HG PRO 2 -4.295 6.729 -7.947 11 HD2 PRO 2 1HD PRO 2 -3.075 8.532 -5.890 12 HD3 PRO 2 2HD PRO 2 -2.593 8.260 -7.579 13 H LYS 3 H LYS 3 -7.719 10.552 -7.622 14 HA LYS 3 HA LYS 3 -7.766 11.720 -4.943 15 HB2 LYS 3 1HB LYS 3 -9.299 12.464 -7.433 16 HB3 LYS 3 2HB LYS 3 -9.373 13.323 -5.905 17 HG2 LYS 3 1HG LYS 3 -6.912 13.006 -7.607 18 HG3 LYS 3 2HG LYS 3 -7.935 14.438 -7.548 19 HD2 LYS 3 1HD LYS 3 -6.398 13.277 -5.225 20 HD3 LYS 3 2HD LYS 3 -5.920 14.686 -6.166 21 HE2 LYS 3 1HE LYS 3 -8.435 14.442 -4.520 22 HE3 LYS 3 2HE LYS 3 -6.981 15.311 -4.046 23 HZ1 LYS 3 1HZ LYS 3 -7.292 16.791 -5.926 24 HZ2 LYS 3 2HZ LYS 3 -8.652 16.807 -4.921 25 HZ3 LYS 3 3HZ LYS 3 -8.692 15.960 -6.382 26 H THR 4 H THR 4 -9.229 9.303 -6.769 27 HA THR 4 HA THR 4 -11.498 9.234 -4.914 28 HB THR 4 HB THR 4 -12.841 8.177 -6.711 29 HG1 THR 4 HG1 THR 4 -11.762 8.823 -8.906 30 HG21 THR 4 1HG2 THR 4 -13.233 10.229 -8.009 31 HG22 THR 4 2HG2 THR 4 -11.736 10.906 -7.362 32 HG23 THR 4 3HG2 THR 4 -13.085 10.555 -6.281 33 H LEU 5 H LEU 5 -12.526 7.000 -4.896 34 HA LEU 5 HA LEU 5 -10.624 5.181 -3.921 35 HB2 LEU 5 1HB LEU 5 -13.066 5.419 -3.294 36 HB3 LEU 5 2HB LEU 5 -13.449 4.549 -4.762 37 HG LEU 5 HG LEU 5 -13.357 3.297 -2.488 38 HD11 LEU 5 1HD1 LEU 5 -12.042 2.245 -4.982 39 HD12 LEU 5 2HD1 LEU 5 -13.754 2.163 -4.564 40 HD13 LEU 5 3HD1 LEU 5 -12.572 1.251 -3.623 41 HD21 LEU 5 1HD2 LEU 5 -10.443 3.318 -3.246 42 HD22 LEU 5 2HD2 LEU 5 -11.179 2.362 -1.962 43 HD23 LEU 5 3HD2 LEU 5 -11.152 4.121 -1.845 44 H HIS 6 H HIS 6 -12.539 5.191 -6.907 45 HA HIS 6 HA HIS 6 -11.648 2.768 -7.957 46 HB2 HIS 6 1HB HIS 6 -13.567 4.056 -8.824 47 HB3 HIS 6 2HB HIS 6 -12.457 5.259 -9.456 48 HD1 HIS 6 HD1 HIS 6 -12.932 4.956 -11.914 49 HD2 HIS 6 HD2 HIS 6 -11.970 1.392 -10.006 50 HE1 HIS 6 HE1 HIS 6 -12.692 3.248 -13.738 51 HE2 HIS 6 HE2 HIS 6 -12.309 1.071 -12.545 52 H GLU 7 H GLU 7 -10.323 6.021 -8.286 53 HA GLU 7 HA GLU 7 -8.303 5.472 -10.138 54 HB2 GLU 7 1HB GLU 7 -8.508 7.508 -7.928 55 HB3 GLU 7 2HB GLU 7 -7.163 7.468 -9.059 56 HG2 GLU 7 1HG GLU 7 -9.990 7.625 -10.012 57 HG3 GLU 7 2HG GLU 7 -9.102 9.064 -9.521 58 H LEU 8 H LEU 8 -8.387 5.216 -6.628 59 HA LEU 8 HA LEU 8 -5.638 4.608 -6.298 60 HB2 LEU 8 1HB LEU 8 -7.274 5.479 -4.568 61 HB3 LEU 8 2HB LEU 8 -7.897 3.847 -4.456 62 HG LEU 8 HG LEU 8 -6.215 4.617 -2.694 63 HD11 LEU 8 1HD1 LEU 8 -5.794 2.077 -4.240 64 HD12 LEU 8 2HD1 LEU 8 -6.834 2.318 -2.835 65 HD13 LEU 8 3HD1 LEU 8 -5.080 2.406 -2.664 66 HD21 LEU 8 1HD2 LEU 8 -4.650 5.653 -4.285 67 HD22 LEU 8 2HD2 LEU 8 -4.268 4.049 -4.913 68 HD23 LEU 8 3HD2 LEU 8 -3.882 4.458 -3.242 69 H LEU 9 H LEU 9 -8.557 2.638 -6.571 70 HA LEU 9 HA LEU 9 -7.334 0.143 -6.176 71 HB2 LEU 9 1HB LEU 9 -9.860 1.056 -7.469 72 HB3 LEU 9 2HB LEU 9 -9.342 -0.595 -7.717 73 HG LEU 9 HG LEU 9 -10.998 -0.234 -5.850 74 HD11 LEU 9 1HD1 LEU 9 -9.672 -2.254 -5.998 75 HD12 LEU 9 2HD1 LEU 9 -9.860 -1.762 -4.313 76 HD13 LEU 9 3HD1 LEU 9 -8.339 -1.461 -5.156 77 HD21 LEU 9 1HD2 LEU 9 -10.006 1.843 -4.981 78 HD22 LEU 9 2HD2 LEU 9 -8.606 0.921 -4.434 79 HD23 LEU 9 3HD2 LEU 9 -10.196 0.604 -3.741 80 H GLU 10 H GLU 10 -7.871 2.019 -9.140 81 HA GLU 10 HA GLU 10 -6.722 0.077 -10.863 82 HB2 GLU 10 1HB GLU 10 -7.051 3.059 -11.198 83 HB3 GLU 10 2HB GLU 10 -6.482 1.985 -12.469 84 HG2 GLU 10 1HG GLU 10 -8.639 0.724 -12.211 85 HG3 GLU 10 2HG GLU 10 -9.188 2.035 -11.167 86 H ARG 11 H ARG 11 -5.425 2.564 -8.833 87 HA ARG 11 HA ARG 11 -2.889 2.864 -10.011 88 HB2 ARG 11 1HB ARG 11 -4.216 4.142 -8.052 89 HB3 ARG 11 2HB ARG 11 -3.162 3.137 -7.067 90 HG2 ARG 11 1HG ARG 11 -2.219 5.014 -9.219 91 HG3 ARG 11 2HG ARG 11 -2.270 5.389 -7.497 92 HD2 ARG 11 1HD ARG 11 -0.667 3.707 -7.005 93 HD3 ARG 11 2HD ARG 11 -0.744 3.068 -8.646 94 HE ARG 11 HE ARG 11 0.299 5.766 -8.013 95 HH11 ARG 11 1HH1 ARG 11 0.553 2.697 -9.714 96 HH12 ARG 11 2HH1 ARG 11 1.958 3.178 -10.604 97 HH21 ARG 11 1HH2 ARG 11 2.112 6.391 -9.208 98 HH22 ARG 11 2HH2 ARG 11 2.839 5.280 -10.327 99 H ILE 12 H ILE 12 -4.149 0.672 -7.560 100 HA ILE 12 HA ILE 12 -1.513 -0.551 -7.265 101 HB ILE 12 HB ILE 12 -2.469 -1.756 -5.362 102 HG12 ILE 12 1HG1 ILE 12 -4.982 -0.153 -5.907 103 HG13 ILE 12 2HG1 ILE 12 -4.812 -1.878 -6.210 104 HG21 ILE 12 1HG2 ILE 12 -1.416 0.373 -4.987 105 HG22 ILE 12 2HG2 ILE 12 -2.827 0.238 -3.933 106 HG23 ILE 12 3HG2 ILE 12 -2.908 1.223 -5.393 107 HD11 ILE 12 1HD1 ILE 12 -4.425 -2.251 -3.823 108 HD12 ILE 12 2HD1 ILE 12 -5.981 -1.476 -4.131 109 HD13 ILE 12 3HD1 ILE 12 -4.623 -0.521 -3.532 110 H GLY 13 H GLY 13 -4.381 -1.039 -8.982 111 HA2 GLY 13 1HA GLY 13 -4.548 -2.616 -10.710 112 HA3 GLY 13 2HA GLY 13 -3.308 -3.578 -9.926 113 H LEU 14 H LEU 14 -6.128 -2.334 -8.282 114 HA LEU 14 HA LEU 14 -7.202 -5.070 -8.158 115 HB2 LEU 14 1HB LEU 14 -6.858 -3.037 -5.995 116 HB3 LEU 14 2HB LEU 14 -8.173 -4.187 -5.900 117 HG LEU 14 HG LEU 14 -6.420 -5.068 -4.595 118 HD11 LEU 14 1HD1 LEU 14 -5.906 -7.151 -5.683 119 HD12 LEU 14 2HD1 LEU 14 -6.308 -6.461 -7.252 120 HD13 LEU 14 3HD1 LEU 14 -7.567 -6.675 -6.035 121 HD21 LEU 14 1HD2 LEU 14 -4.167 -5.480 -5.468 122 HD22 LEU 14 2HD2 LEU 14 -4.562 -3.765 -5.371 123 HD23 LEU 14 3HD2 LEU 14 -4.591 -4.589 -6.932 124 H GLU 15 H GLU 15 -7.810 -2.850 -9.972 125 HA GLU 15 HA GLU 15 -10.180 -1.532 -9.323 126 HB2 GLU 15 1HB GLU 15 -10.494 -1.225 -11.714 127 HB3 GLU 15 2HB GLU 15 -8.811 -0.973 -11.274 128 HG2 GLU 15 1HG GLU 15 -8.211 -3.137 -12.122 129 HG3 GLU 15 2HG GLU 15 -9.901 -3.520 -12.438 130 H GLU 16 H GLU 16 -9.618 -4.816 -10.086 131 HA GLU 16 HA GLU 16 -12.112 -5.660 -10.996 132 HB2 GLU 16 1HB GLU 16 -11.450 -7.875 -10.081 133 HB3 GLU 16 2HB GLU 16 -10.198 -7.125 -11.062 134 HG2 GLU 16 1HG GLU 16 -8.981 -6.464 -9.104 135 HG3 GLU 16 2HG GLU 16 -10.284 -7.027 -8.059 136 H HIS 17 H HIS 17 -11.155 -4.507 -7.916 137 HA HIS 17 HA HIS 17 -13.590 -5.638 -6.714 138 HB2 HIS 17 1HB HIS 17 -10.914 -5.034 -5.484 139 HB3 HIS 17 2HB HIS 17 -12.359 -5.270 -4.510 140 HD1 HIS 17 HD1 HIS 17 -13.668 -7.671 -5.400 141 HD2 HIS 17 HD2 HIS 17 -9.534 -7.324 -5.658 142 HE1 HIS 17 HE1 HIS 17 -12.801 -10.022 -5.591 143 HE2 HIS 17 HE2 HIS 17 -10.347 -9.749 -6.059 144 H THR 18 H THR 18 -12.670 -2.872 -8.047 145 HA THR 18 HA THR 18 -13.065 -0.874 -6.162 146 HB THR 18 HB THR 18 -14.173 -0.756 -8.959 147 HG1 THR 18 HG1 THR 18 -12.184 -0.904 -9.620 148 HG21 THR 18 1HG2 THR 18 -14.802 1.086 -7.495 149 HG22 THR 18 2HG2 THR 18 -13.679 1.638 -8.738 150 HG23 THR 18 3HG2 THR 18 -13.107 1.359 -7.092 151 H SER 19 H SER 19 -15.462 -2.594 -8.123 152 HA SER 19 HA SER 19 -17.739 -1.353 -7.040 153 HB2 SER 19 1HB SER 19 -17.784 -2.629 -9.134 154 HB3 SER 19 2HB SER 19 -17.452 -4.112 -8.246 155 HG SER 19 HG SER 19 -19.684 -2.512 -7.603 156 H THR 20 H THR 20 -15.928 -4.243 -6.100 157 HA THR 20 HA THR 20 -17.574 -5.246 -4.107 158 HB THR 20 HB THR 20 -14.564 -5.130 -3.911 159 HG1 THR 20 HG1 THR 20 -16.231 -6.561 -5.661 160 HG21 THR 20 1HG2 THR 20 -14.827 -7.282 -2.777 161 HG22 THR 20 2HG2 THR 20 -16.577 -7.175 -2.978 162 HG23 THR 20 3HG2 THR 20 -15.735 -6.011 -1.955 163 H LEU 21 H LEU 21 -14.969 -2.848 -3.843 164 HA LEU 21 HA LEU 21 -15.367 -2.243 -1.126 165 HB2 LEU 21 1HB LEU 21 -14.048 -0.849 -3.421 166 HB3 LEU 21 2HB LEU 21 -14.277 0.018 -1.924 167 HG LEU 21 HG LEU 21 -12.120 -0.768 -1.710 168 HD11 LEU 21 1HD1 LEU 21 -12.099 -2.497 -0.044 169 HD12 LEU 21 2HD1 LEU 21 -13.717 -3.013 -0.512 170 HD13 LEU 21 3HD1 LEU 21 -13.477 -1.428 0.224 171 HD21 LEU 21 1HD2 LEU 21 -12.081 -2.132 -3.723 172 HD22 LEU 21 2HD2 LEU 21 -12.971 -3.404 -2.882 173 HD23 LEU 21 3HD2 LEU 21 -11.342 -2.974 -2.359 174 H LEU 22 H LEU 22 -16.459 -0.572 -4.063 175 HA LEU 22 HA LEU 22 -17.853 1.509 -2.901 176 HB2 LEU 22 1HB LEU 22 -17.842 0.151 -5.497 177 HB3 LEU 22 2HB LEU 22 -19.342 0.972 -5.125 178 HG LEU 22 HG LEU 22 -18.179 3.086 -4.879 179 HD11 LEU 22 1HD1 LEU 22 -15.804 3.302 -5.319 180 HD12 LEU 22 2HD1 LEU 22 -15.668 1.555 -5.526 181 HD13 LEU 22 3HD1 LEU 22 -16.085 2.226 -3.948 182 HD21 LEU 22 1HD2 LEU 22 -17.377 1.624 -7.387 183 HD22 LEU 22 2HD2 LEU 22 -17.426 3.376 -7.185 184 HD23 LEU 22 3HD2 LEU 22 -18.916 2.436 -7.102 185 H LEU 23 H LEU 23 -19.028 -1.738 -3.671 186 HA LEU 23 HA LEU 23 -21.735 -1.308 -3.061 187 HB2 LEU 23 1HB LEU 23 -20.064 -3.810 -2.974 188 HB3 LEU 23 2HB LEU 23 -21.803 -3.799 -2.776 189 HG LEU 23 HG LEU 23 -20.321 -2.899 -5.246 190 HD11 LEU 23 1HD1 LEU 23 -20.175 -5.305 -4.901 191 HD12 LEU 23 2HD1 LEU 23 -21.225 -4.922 -6.264 192 HD13 LEU 23 3HD1 LEU 23 -21.926 -5.393 -4.716 193 HD21 LEU 23 1HD2 LEU 23 -22.405 -1.692 -4.954 194 HD22 LEU 23 2HD2 LEU 23 -23.272 -3.206 -4.698 195 HD23 LEU 23 3HD2 LEU 23 -22.554 -2.855 -6.271 196 H ASN 24 H ASN 24 -18.982 -2.108 -1.066 197 HA ASN 24 HA ASN 24 -20.736 -2.627 1.204 198 HB2 ASN 24 1HB ASN 24 -17.840 -3.191 0.673 199 HB3 ASN 24 2HB ASN 24 -18.516 -3.311 2.295 200 HD21 ASN 24 1HD2 ASN 24 -18.433 -4.664 -0.886 201 HD22 ASN 24 2HD2 ASN 24 -19.282 -6.126 -0.511 202 H GLY 25 H GLY 25 -19.631 0.034 -0.102 203 HA2 GLY 25 1HA GLY 25 -20.219 2.053 1.041 204 HA3 GLY 25 2HA GLY 25 -19.677 1.320 2.540 205 H TYR 26 H TYR 26 -17.396 0.480 0.390 206 HA TYR 26 HA TYR 26 -15.639 2.611 1.299 207 HB2 TYR 26 1HB TYR 26 -15.076 0.103 -0.273 208 HB3 TYR 26 2HB TYR 26 -13.850 1.220 0.315 209 HD1 TYR 26 HD1 TYR 26 -15.922 -1.598 1.073 210 HD2 TYR 26 HD2 TYR 26 -13.608 1.516 2.808 211 HE1 TYR 26 HE1 TYR 26 -15.833 -2.852 3.184 212 HE2 TYR 26 HE2 TYR 26 -13.508 0.274 4.922 213 HH TYR 26 HH TYR 26 -14.974 -1.501 6.069 214 H GLN 27 H GLN 27 -16.699 4.237 0.020 215 HA GLN 27 HA GLN 27 -16.315 3.961 -2.877 216 HB2 GLN 27 1HB GLN 27 -18.044 5.951 -1.423 217 HB3 GLN 27 2HB GLN 27 -18.041 5.602 -3.146 218 HG2 GLN 27 1HG GLN 27 -18.795 3.312 -2.641 219 HG3 GLN 27 2HG GLN 27 -18.894 3.754 -0.940 220 HE21 GLN 27 1HE2 GLN 27 -20.978 2.823 -2.681 221 HE22 GLN 27 2HE2 GLN 27 -22.186 4.059 -2.709 222 H THR 28 H THR 28 -15.081 5.480 -0.158 223 HA THR 28 HA THR 28 -13.696 7.428 -1.869 224 HB THR 28 HB THR 28 -13.630 9.015 -0.017 225 HG1 THR 28 HG1 THR 28 -15.319 7.158 1.365 226 HG21 THR 28 1HG2 THR 28 -16.023 9.603 0.085 227 HG22 THR 28 2HG2 THR 28 -16.424 8.023 -0.595 228 HG23 THR 28 3HG2 THR 28 -15.509 9.190 -1.550 229 H LEU 29 H LEU 29 -11.593 8.104 -0.975 230 HA LEU 29 HA LEU 29 -10.015 5.919 -0.121 231 HB2 LEU 29 1HB LEU 29 -9.399 8.873 -0.004 232 HB3 LEU 29 2HB LEU 29 -8.225 7.574 0.101 233 HG LEU 29 HG LEU 29 -9.936 8.190 -2.311 234 HD11 LEU 29 1HD1 LEU 29 -8.240 9.899 -1.917 235 HD12 LEU 29 2HD1 LEU 29 -7.857 8.933 -3.343 236 HD13 LEU 29 3HD1 LEU 29 -6.996 8.651 -1.829 237 HD21 LEU 29 1HD2 LEU 29 -8.584 6.545 -3.454 238 HD22 LEU 29 2HD2 LEU 29 -9.391 5.812 -2.068 239 HD23 LEU 29 3HD2 LEU 29 -7.679 6.226 -1.976 240 H GLU 30 H GLU 30 -11.796 8.392 1.499 241 HA GLU 30 HA GLU 30 -10.695 8.170 4.085 242 HB2 GLU 30 1HB GLU 30 -13.497 8.909 3.230 243 HB3 GLU 30 2HB GLU 30 -12.834 9.153 4.840 244 HG2 GLU 30 1HG GLU 30 -11.182 10.691 3.940 245 HG3 GLU 30 2HG GLU 30 -11.811 10.428 2.315 246 H ASP 31 H ASP 31 -13.072 6.308 2.320 247 HA ASP 31 HA ASP 31 -13.824 4.738 4.625 248 HB2 ASP 31 1HB ASP 31 -14.371 4.276 1.682 249 HB3 ASP 31 2HB ASP 31 -15.076 3.357 3.004 250 H PHE 32 H PHE 32 -11.778 4.421 1.790 251 HA PHE 32 HA PHE 32 -11.227 1.677 2.104 252 HB2 PHE 32 1HB PHE 32 -10.920 3.054 0.011 253 HB3 PHE 32 2HB PHE 32 -9.439 3.677 0.732 254 HD1 PHE 32 HD1 PHE 32 -11.074 0.756 -0.741 255 HD2 PHE 32 HD2 PHE 32 -7.498 2.259 0.995 256 HE1 PHE 32 HE1 PHE 32 -9.845 -1.198 -1.586 257 HE2 PHE 32 HE2 PHE 32 -6.266 0.315 0.151 258 HZ PHE 32 HZ PHE 32 -7.434 -1.416 -1.143 259 H LYS 33 H LYS 33 -9.759 4.530 3.521 260 HA LYS 33 HA LYS 33 -7.453 3.157 4.483 261 HB2 LYS 33 1HB LYS 33 -7.115 5.123 5.913 262 HB3 LYS 33 2HB LYS 33 -7.430 5.569 4.244 263 HG2 LYS 33 1HG LYS 33 -9.764 6.050 4.832 264 HG3 LYS 33 2HG LYS 33 -9.400 5.663 6.514 265 HD2 LYS 33 1HD LYS 33 -9.355 8.061 6.184 266 HD3 LYS 33 2HD LYS 33 -7.734 7.473 6.548 267 HE2 LYS 33 1HE LYS 33 -7.122 7.589 4.218 268 HE3 LYS 33 2HE LYS 33 -8.767 8.025 3.769 269 HZ1 LYS 33 1HZ LYS 33 -6.892 9.652 5.391 270 HZ2 LYS 33 2HZ LYS 33 -8.501 10.066 5.091 271 HZ3 LYS 33 3HZ LYS 33 -7.403 9.975 3.812 272 H GLU 34 H GLU 34 -10.651 2.880 5.257 273 HA GLU 34 HA GLU 34 -10.092 1.912 7.976 274 HB2 GLU 34 1HB GLU 34 -12.764 2.316 6.624 275 HB3 GLU 34 2HB GLU 34 -12.495 1.930 8.317 276 HG2 GLU 34 1HG GLU 34 -11.324 4.108 8.558 277 HG3 GLU 34 2HG GLU 34 -11.789 4.484 6.901 278 H LEU 35 H LEU 35 -10.022 0.879 4.937 279 HA LEU 35 HA LEU 35 -11.529 -1.548 5.067 280 HB2 LEU 35 1HB LEU 35 -11.154 -0.337 2.985 281 HB3 LEU 35 2HB LEU 35 -9.428 -0.527 3.154 282 HG LEU 35 HG LEU 35 -10.731 -1.980 1.469 283 HD11 LEU 35 1HD1 LEU 35 -9.080 -3.649 1.589 284 HD12 LEU 35 2HD1 LEU 35 -8.856 -3.410 3.322 285 HD13 LEU 35 3HD1 LEU 35 -8.326 -2.169 2.184 286 HD21 LEU 35 1HD2 LEU 35 -11.224 -3.529 4.002 287 HD22 LEU 35 2HD2 LEU 35 -11.525 -4.101 2.361 288 HD23 LEU 35 3HD2 LEU 35 -12.453 -2.747 3.008 289 H ARG 36 H ARG 36 -10.921 -3.373 5.997 290 HA ARG 36 HA ARG 36 -8.085 -3.758 6.639 291 HB2 ARG 36 1HB ARG 36 -10.454 -4.263 8.444 292 HB3 ARG 36 2HB ARG 36 -8.802 -4.731 8.810 293 HG2 ARG 36 1HG ARG 36 -9.860 -1.933 8.487 294 HG3 ARG 36 2HG ARG 36 -9.313 -2.704 9.979 295 HD2 ARG 36 1HD ARG 36 -7.061 -2.919 9.008 296 HD3 ARG 36 2HD ARG 36 -7.624 -2.088 7.562 297 HE ARG 36 HE ARG 36 -8.117 -0.504 9.848 298 HH11 ARG 36 1HH1 ARG 36 -5.566 -1.629 7.767 299 HH12 ARG 36 2HH1 ARG 36 -4.509 -0.283 8.077 300 HH21 ARG 36 1HH2 ARG 36 -6.760 1.309 10.262 301 HH22 ARG 36 2HH2 ARG 36 -5.203 1.392 9.505 302 H GLU 37 H GLU 37 -7.565 -6.062 7.198 303 HA GLU 37 HA GLU 37 -8.283 -7.668 5.027 304 HB2 GLU 37 1HB GLU 37 -6.191 -7.940 6.279 305 HB3 GLU 37 2HB GLU 37 -7.102 -8.533 7.663 306 HG2 GLU 37 1HG GLU 37 -7.854 -10.441 6.386 307 HG3 GLU 37 2HG GLU 37 -7.018 -9.834 4.957 308 H THR 38 H THR 38 -9.442 -7.639 8.348 309 HA THR 38 HA THR 38 -11.152 -9.839 8.246 310 HB THR 38 HB THR 38 -11.583 -7.244 9.743 311 HG1 THR 38 HG1 THR 38 -10.404 -8.277 11.402 312 HG21 THR 38 1HG2 THR 38 -13.554 -8.711 9.708 313 HG22 THR 38 2HG2 THR 38 -12.848 -8.611 11.321 314 HG23 THR 38 3HG2 THR 38 -12.570 -10.037 10.325 315 H HIS 39 H HIS 39 -11.452 -6.621 6.967 316 HA HIS 39 HA HIS 39 -14.270 -6.822 6.429 317 HB2 HIS 39 1HB HIS 39 -12.220 -4.827 5.450 318 HB3 HIS 39 2HB HIS 39 -13.958 -4.694 5.202 319 HD1 HIS 39 HD1 HIS 39 -12.613 -2.421 6.653 320 HD2 HIS 39 HD2 HIS 39 -14.137 -5.753 8.613 321 HE1 HIS 39 HE1 HIS 39 -12.929 -1.712 9.033 322 HE2 HIS 39 HE2 HIS 39 -13.989 -3.691 10.175 323 H LEU 40 H LEU 40 -11.265 -7.449 4.741 324 HA LEU 40 HA LEU 40 -12.385 -7.803 2.164 325 HB2 LEU 40 1HB LEU 40 -9.856 -8.683 3.473 326 HB3 LEU 40 2HB LEU 40 -10.325 -9.424 1.956 327 HG LEU 40 HG LEU 40 -10.484 -7.068 1.020 328 HD11 LEU 40 1HD1 LEU 40 -10.564 -5.851 3.087 329 HD12 LEU 40 2HD1 LEU 40 -9.125 -5.396 2.176 330 HD13 LEU 40 3HD1 LEU 40 -8.986 -6.484 3.552 331 HD21 LEU 40 1HD2 LEU 40 -7.828 -8.145 1.926 332 HD22 LEU 40 2HD2 LEU 40 -8.056 -6.912 0.687 333 HD23 LEU 40 3HD2 LEU 40 -8.679 -8.541 0.432 334 H ASN 41 H ASN 41 -12.014 -9.891 4.944 335 HA ASN 41 HA ASN 41 -12.892 -12.287 3.787 336 HB2 ASN 41 1HB ASN 41 -13.244 -11.213 6.590 337 HB3 ASN 41 2HB ASN 41 -13.709 -12.843 6.115 338 HD21 ASN 41 1HD2 ASN 41 -11.786 -12.082 8.087 339 HD22 ASN 41 2HD2 ASN 41 -10.261 -12.722 7.585 340 H GLU 42 H GLU 42 -14.601 -9.501 5.010 341 HA GLU 42 HA GLU 42 -17.229 -10.552 4.665 342 HB2 GLU 42 1HB GLU 42 -16.264 -7.696 4.859 343 HB3 GLU 42 2HB GLU 42 -17.929 -8.227 5.030 344 HG2 GLU 42 1HG GLU 42 -15.675 -9.050 6.836 345 HG3 GLU 42 2HG GLU 42 -16.822 -7.757 7.175 346 H LEU 43 H LEU 43 -15.014 -8.623 2.763 347 HA LEU 43 HA LEU 43 -16.825 -8.064 0.625 348 HB2 LEU 43 1HB LEU 43 -13.814 -7.969 0.692 349 HB3 LEU 43 2HB LEU 43 -14.836 -7.233 -0.523 350 HG LEU 43 HG LEU 43 -14.885 -6.454 2.384 351 HD11 LEU 43 1HD1 LEU 43 -13.635 -4.465 1.664 352 HD12 LEU 43 2HD1 LEU 43 -13.427 -5.198 0.073 353 HD13 LEU 43 3HD1 LEU 43 -12.704 -5.955 1.494 354 HD21 LEU 43 1HD2 LEU 43 -16.052 -4.490 1.569 355 HD22 LEU 43 2HD2 LEU 43 -16.920 -5.963 1.136 356 HD23 LEU 43 3HD2 LEU 43 -15.967 -5.110 -0.079 357 H ASN 44 H ASN 44 -15.197 -10.802 1.568 358 HA ASN 44 HA ASN 44 -14.952 -12.875 0.690 359 HB2 ASN 44 1HB ASN 44 -17.223 -12.229 -0.368 360 HB3 ASN 44 2HB ASN 44 -16.301 -11.980 -1.842 361 HD21 ASN 44 1HD2 ASN 44 -15.467 -13.750 -2.931 362 HD22 ASN 44 2HD2 ASN 44 -15.934 -15.372 -2.556 363 H ILE 45 H ILE 45 -13.143 -10.563 0.166 364 HA ILE 45 HA ILE 45 -11.867 -11.266 -2.342 365 HB ILE 45 HB ILE 45 -10.979 -9.280 -0.249 366 HG12 ILE 45 1HG1 ILE 45 -12.394 -8.827 -2.884 367 HG13 ILE 45 2HG1 ILE 45 -13.174 -8.768 -1.309 368 HG21 ILE 45 1HG2 ILE 45 -10.057 -9.706 -3.092 369 HG22 ILE 45 2HG2 ILE 45 -9.133 -10.069 -1.635 370 HG23 ILE 45 3HG2 ILE 45 -9.535 -8.397 -2.031 371 HD11 ILE 45 1HD1 ILE 45 -10.960 -6.955 -2.226 372 HD12 ILE 45 2HD1 ILE 45 -11.808 -6.873 -0.682 373 HD13 ILE 45 3HD1 ILE 45 -12.674 -6.548 -2.183 374 H MET 46 H MET 46 -11.266 -13.375 -1.954 375 HA MET 46 HA MET 46 -9.662 -13.988 0.393 376 HB2 MET 46 1HB MET 46 -10.691 -15.787 -1.796 377 HB3 MET 46 2HB MET 46 -9.917 -16.319 -0.312 378 HG2 MET 46 1HG MET 46 -12.455 -14.714 -0.334 379 HG3 MET 46 2HG MET 46 -12.436 -16.472 -0.411 380 HE1 MET 46 1HE MET 46 -12.568 -13.424 1.802 381 HE2 MET 46 2HE MET 46 -10.810 -13.508 1.745 382 HE3 MET 46 3HE MET 46 -11.656 -13.842 3.251 383 H ASP 47 H ASP 47 -9.161 -13.097 -2.815 384 HA ASP 47 HA ASP 47 -6.841 -14.501 -3.527 385 HB2 ASP 47 1HB ASP 47 -7.907 -11.784 -4.248 386 HB3 ASP 47 2HB ASP 47 -6.357 -12.340 -4.866 387 HA PRO 48 HA PRO 48 -4.459 -13.234 -0.031 388 HB2 PRO 48 1HB PRO 48 -2.241 -14.456 -1.550 389 HB3 PRO 48 2HB PRO 48 -2.828 -14.812 0.073 390 HG2 PRO 48 1HG PRO 48 -3.322 -16.468 -1.946 391 HG3 PRO 48 2HG PRO 48 -4.532 -16.165 -0.688 392 HD2 PRO 48 1HD PRO 48 -4.384 -15.095 -3.469 393 HD3 PRO 48 2HD PRO 48 -5.794 -15.631 -2.535 394 H GLN 49 H GLN 49 -2.730 -12.883 -3.166 395 HA GLN 49 HA GLN 49 -1.077 -10.788 -2.217 396 HB2 GLN 49 1HB GLN 49 -1.718 -11.906 -4.893 397 HB3 GLN 49 2HB GLN 49 -1.034 -10.292 -4.836 398 HG2 GLN 49 1HG GLN 49 0.840 -11.224 -3.477 399 HG3 GLN 49 2HG GLN 49 0.186 -12.828 -3.792 400 HE21 GLN 49 1HE2 GLN 49 2.726 -11.483 -4.596 401 HE22 GLN 49 2HE2 GLN 49 2.799 -11.678 -6.312 402 H HIS 50 H HIS 50 -4.161 -10.893 -3.853 403 HA HIS 50 HA HIS 50 -4.370 -8.125 -4.384 404 HB2 HIS 50 1HB HIS 50 -6.470 -10.275 -4.095 405 HB3 HIS 50 2HB HIS 50 -6.836 -8.631 -4.601 406 HD1 HIS 50 HD1 HIS 50 -7.661 -9.635 -6.936 407 HD2 HIS 50 HD2 HIS 50 -3.618 -10.139 -6.094 408 HE1 HIS 50 HE1 HIS 50 -6.589 -10.285 -9.105 409 HE2 HIS 50 HE2 HIS 50 -4.128 -10.428 -8.611 410 H ARG 51 H ARG 51 -5.406 -10.154 -1.708 411 HA ARG 51 HA ARG 51 -6.535 -8.244 -0.036 412 HB2 ARG 51 1HB ARG 51 -4.881 -10.697 0.549 413 HB3 ARG 51 2HB ARG 51 -5.592 -9.721 1.825 414 HG2 ARG 51 1HG ARG 51 -7.775 -10.264 1.167 415 HG3 ARG 51 2HG ARG 51 -7.233 -10.902 -0.385 416 HD2 ARG 51 1HD ARG 51 -7.860 -12.648 1.273 417 HD3 ARG 51 2HD ARG 51 -6.217 -12.785 0.663 418 HE ARG 51 HE ARG 51 -6.035 -11.312 2.989 419 HH11 ARG 51 1HH1 ARG 51 -7.171 -14.491 2.081 420 HH12 ARG 51 2HH1 ARG 51 -6.745 -15.222 3.593 421 HH21 ARG 51 1HH2 ARG 51 -5.455 -12.270 4.996 422 HH22 ARG 51 2HH2 ARG 51 -5.770 -13.964 5.246 423 H ALA 52 H ALA 52 -3.187 -9.367 -0.153 424 HA ALA 52 HA ALA 52 -2.085 -7.759 1.781 425 HB1 ALA 52 1HB ALA 52 0.051 -8.170 0.647 426 HB2 ALA 52 2HB ALA 52 -0.823 -8.758 -0.765 427 HB3 ALA 52 3HB ALA 52 -0.928 -9.627 0.766 428 H LYS 53 H LYS 53 -2.526 -7.039 -1.666 429 HA LYS 53 HA LYS 53 -1.236 -4.524 -1.600 430 HB2 LYS 53 1HB LYS 53 -3.405 -5.428 -3.496 431 HB3 LYS 53 2HB LYS 53 -2.275 -4.106 -3.755 432 HG2 LYS 53 1HG LYS 53 -0.447 -5.879 -3.506 433 HG3 LYS 53 2HG LYS 53 -1.744 -7.050 -3.736 434 HD2 LYS 53 1HD LYS 53 -0.926 -6.768 -5.881 435 HD3 LYS 53 2HD LYS 53 -2.292 -5.653 -5.849 436 HE2 LYS 53 1HE LYS 53 -0.802 -3.789 -5.430 437 HE3 LYS 53 2HE LYS 53 0.577 -4.889 -5.335 438 HZ1 LYS 53 1HZ LYS 53 0.552 -3.895 -7.485 439 HZ2 LYS 53 2HZ LYS 53 -1.074 -4.280 -7.725 440 HZ3 LYS 53 3HZ LYS 53 0.087 -5.511 -7.677 441 H LEU 54 H LEU 54 -4.675 -5.409 -1.454 442 HA LEU 54 HA LEU 54 -5.746 -2.859 -1.300 443 HB2 LEU 54 1HB LEU 54 -6.691 -5.447 -0.092 444 HB3 LEU 54 2HB LEU 54 -7.646 -3.980 -0.086 445 HG LEU 54 HG LEU 54 -6.652 -5.304 -2.602 446 HD11 LEU 54 1HD1 LEU 54 -8.142 -6.821 -1.467 447 HD12 LEU 54 2HD1 LEU 54 -8.957 -6.111 -2.862 448 HD13 LEU 54 3HD1 LEU 54 -9.323 -5.531 -1.235 449 HD21 LEU 54 1HD2 LEU 54 -8.696 -3.154 -2.084 450 HD22 LEU 54 2HD2 LEU 54 -8.399 -3.914 -3.647 451 HD23 LEU 54 3HD2 LEU 54 -7.133 -2.957 -2.878 452 H LEU 55 H LEU 55 -4.646 -4.963 1.351 453 HA LEU 55 HA LEU 55 -5.390 -3.162 3.398 454 HB2 LEU 55 1HB LEU 55 -3.541 -5.511 3.307 455 HB3 LEU 55 2HB LEU 55 -3.588 -4.483 4.724 456 HG LEU 55 HG LEU 55 -5.122 -5.991 5.404 457 HD11 LEU 55 1HD1 LEU 55 -7.376 -5.265 5.005 458 HD12 LEU 55 2HD1 LEU 55 -6.871 -4.387 3.562 459 HD13 LEU 55 3HD1 LEU 55 -6.312 -3.864 5.152 460 HD21 LEU 55 1HD2 LEU 55 -5.939 -6.486 2.547 461 HD22 LEU 55 2HD2 LEU 55 -6.505 -7.372 3.962 462 HD23 LEU 55 3HD2 LEU 55 -4.810 -7.468 3.481 463 H THR 56 H THR 56 -2.338 -3.641 1.672 464 HA THR 56 HA THR 56 -0.790 -1.865 3.203 465 HB THR 56 HB THR 56 -0.496 -2.465 0.260 466 HG1 THR 56 HG1 THR 56 -0.429 -4.409 1.286 467 HG21 THR 56 1HG2 THR 56 1.860 -1.958 0.628 468 HG22 THR 56 2HG2 THR 56 1.529 -1.605 2.324 469 HG23 THR 56 3HG2 THR 56 0.859 -0.570 1.062 470 H ALA 57 H ALA 57 -2.807 -1.380 0.348 471 HA ALA 57 HA ALA 57 -2.249 1.332 -0.052 472 HB1 ALA 57 1HB ALA 57 -4.662 -0.334 -0.703 473 HB2 ALA 57 2HB ALA 57 -3.349 0.152 -1.777 474 HB3 ALA 57 3HB ALA 57 -4.496 1.353 -1.184 475 H ALA 58 H ALA 58 -4.759 -0.282 1.867 476 HA ALA 58 HA ALA 58 -6.038 2.009 2.837 477 HB1 ALA 58 1HB ALA 58 -6.911 0.577 4.595 478 HB2 ALA 58 2HB ALA 58 -5.700 -0.651 4.214 479 HB3 ALA 58 3HB ALA 58 -6.953 -0.252 3.039 480 H GLU 59 H GLU 59 -3.270 0.204 4.075 481 HA GLU 59 HA GLU 59 -2.871 1.538 6.488 482 HB2 GLU 59 1HB GLU 59 -0.825 0.363 4.599 483 HB3 GLU 59 2HB GLU 59 -0.502 0.818 6.264 484 HG2 GLU 59 1HG GLU 59 -2.531 -1.237 5.446 485 HG3 GLU 59 2HG GLU 59 -0.868 -1.609 5.882 486 H LEU 60 H LEU 60 -1.394 2.187 3.316 487 HA LEU 60 HA LEU 60 -0.010 4.473 4.250 488 HB2 LEU 60 1HB LEU 60 -0.432 3.181 1.624 489 HB3 LEU 60 2HB LEU 60 0.025 4.874 1.608 490 HG LEU 60 HG LEU 60 2.029 4.332 2.937 491 HD11 LEU 60 1HD1 LEU 60 1.148 1.477 2.577 492 HD12 LEU 60 2HD1 LEU 60 1.221 2.367 4.100 493 HD13 LEU 60 3HD1 LEU 60 2.705 2.004 3.217 494 HD21 LEU 60 1HD2 LEU 60 1.616 2.875 0.350 495 HD22 LEU 60 2HD2 LEU 60 3.188 3.039 1.132 496 HD23 LEU 60 3HD2 LEU 60 2.313 4.476 0.598 497 H LEU 61 H LEU 61 -3.151 4.070 2.652 498 HA LEU 61 HA LEU 61 -3.549 6.814 2.100 499 HB2 LEU 61 1HB LEU 61 -5.527 4.606 2.616 500 HB3 LEU 61 2HB LEU 61 -5.992 6.222 2.134 501 HG LEU 61 HG LEU 61 -4.380 4.256 0.518 502 HD11 LEU 61 1HD1 LEU 61 -6.886 3.994 0.774 503 HD12 LEU 61 2HD1 LEU 61 -6.265 4.101 -0.868 504 HD13 LEU 61 3HD1 LEU 61 -7.034 5.502 -0.122 505 HD21 LEU 61 1HD2 LEU 61 -4.470 5.958 -1.261 506 HD22 LEU 61 2HD2 LEU 61 -3.530 6.495 0.129 507 HD23 LEU 61 3HD2 LEU 61 -5.169 7.100 -0.112 508 H LEU 62 H LEU 62 -3.746 5.000 5.023 509 HA LEU 62 HA LEU 62 -5.442 6.810 6.428 510 HB2 LEU 62 1HB LEU 62 -5.145 4.418 7.013 511 HB3 LEU 62 2HB LEU 62 -3.505 4.773 7.517 512 HG LEU 62 HG LEU 62 -4.365 6.248 9.287 513 HD11 LEU 62 1HD1 LEU 62 -7.069 5.326 8.326 514 HD12 LEU 62 2HD1 LEU 62 -6.431 6.968 8.245 515 HD13 LEU 62 3HD1 LEU 62 -6.765 6.227 9.810 516 HD21 LEU 62 1HD2 LEU 62 -3.921 3.904 9.777 517 HD22 LEU 62 2HD2 LEU 62 -5.561 3.481 9.287 518 HD23 LEU 62 3HD2 LEU 62 -5.298 4.490 10.709 519 H ASP 63 H ASP 63 -1.983 6.479 5.979 520 HA ASP 63 HA ASP 63 -1.515 8.709 7.821 521 HB2 ASP 63 1HB ASP 63 0.330 6.678 6.584 522 HB3 ASP 63 2HB ASP 63 0.926 8.090 7.449 523 H TYR 64 H TYR 64 -1.242 7.813 4.473 524 HA TYR 64 HA TYR 64 0.066 10.363 3.841 525 HB2 TYR 64 1HB TYR 64 -0.131 7.804 2.253 526 HB3 TYR 64 2HB TYR 64 0.644 9.273 1.683 527 HD1 TYR 64 HD1 TYR 64 0.937 6.363 3.832 528 HD2 TYR 64 HD2 TYR 64 2.763 10.015 2.662 529 HE1 TYR 64 HE1 TYR 64 3.048 5.618 4.829 530 HE2 TYR 64 HE2 TYR 64 4.881 9.290 3.660 531 HH TYR 64 HH TYR 64 5.692 7.729 5.336 532 H ASP 65 H ASP 65 -2.606 10.635 4.345 533 HA ASP 65 HA ASP 65 -4.127 10.392 1.908 534 HB2 ASP 65 1HB ASP 65 -5.931 11.448 3.137 535 HB3 ASP 65 2HB ASP 65 -5.184 10.212 4.143 536 H THR 66 H THR 66 -1.773 11.836 1.559 537 HA THR 66 HA THR 66 -0.804 13.772 0.927 538 HB THR 66 HB THR 66 -2.403 15.228 -0.560 539 HG1 THR 66 HG1 THR 66 -4.200 13.683 0.372 540 HG21 THR 66 1HG2 THR 66 -1.575 12.422 -1.274 541 HG22 THR 66 2HG2 THR 66 -0.590 13.875 -1.422 542 HG23 THR 66 3HG2 THR 66 -2.023 13.674 -2.431 543 H GLY 67 H GLY 67 -1.882 13.912 3.571 544 HA2 GLY 67 1HA GLY 67 -3.099 16.531 3.828 545 HA3 GLY 67 2HA GLY 67 -2.694 15.433 5.138 546 H CYS 68 H CYS 68 -0.588 16.632 2.600 547 HA CYS 68 HA CYS 68 1.352 17.782 2.586 548 HB2 CYS 68 1HB CYS 68 0.127 19.082 5.013 549 HB3 CYS 68 2HB CYS 68 1.591 19.649 4.219 550 H GLU 69 H GLU 69 3.431 18.111 3.661 551 HA GLU 69 HA GLU 69 4.058 15.845 5.353 552 HB2 GLU 69 1HB GLU 69 5.830 17.940 4.084 553 HB3 GLU 69 2HB GLU 69 6.415 16.568 5.013 554 HG2 GLU 69 1HG GLU 69 5.494 15.034 3.390 555 HG3 GLU 69 2HG GLU 69 4.809 16.378 2.478 556 H1 GLY 1 1H GLY 1 3.017 10.668 10.473 557 H2 GLY 1 2H GLY 1 2.870 9.442 11.625 558 H3 GLY 1 3H GLY 1 1.505 9.978 10.784 559 HA2 GLY 1 2HA GLY 1 2.278 7.853 9.930 560 HA3 GLY 1 1HA GLY 1 2.378 9.128 8.722 561 HA PRO 2 HA PRO 2 6.546 6.899 9.414 562 HB2 PRO 2 1HB PRO 2 6.139 6.113 6.599 563 HB3 PRO 2 2HB PRO 2 6.706 5.149 7.965 564 HG2 PRO 2 1HG PRO 2 4.265 4.788 6.947 565 HG3 PRO 2 2HG PRO 2 4.561 4.671 8.691 566 HD2 PRO 2 1HD PRO 2 3.372 6.926 7.119 567 HD3 PRO 2 2HD PRO 2 2.879 6.267 8.694 568 H LYS 3 H LYS 3 8.033 8.420 9.276 569 HA LYS 3 HA LYS 3 8.106 10.183 6.946 570 HB2 LYS 3 1HB LYS 3 9.639 10.301 9.545 571 HB3 LYS 3 2HB LYS 3 9.729 11.494 8.261 572 HG2 LYS 3 1HG LYS 3 7.261 10.820 9.844 573 HG3 LYS 3 2HG LYS 3 8.300 12.217 10.114 574 HD2 LYS 3 1HD LYS 3 6.755 11.637 7.586 575 HD3 LYS 3 2HD LYS 3 6.286 12.792 8.830 576 HE2 LYS 3 1HE LYS 3 8.806 12.919 7.181 577 HE3 LYS 3 2HE LYS 3 7.358 13.883 6.910 578 HZ1 LYS 3 1HZ LYS 3 7.661 14.882 9.093 579 HZ2 LYS 3 2HZ LYS 3 9.023 15.128 8.121 580 HZ3 LYS 3 3HZ LYS 3 9.060 13.963 9.342 581 H THR 4 H THR 4 9.529 7.381 8.146 582 HA THR 4 HA THR 4 11.803 7.724 6.332 583 HB THR 4 HB THR 4 13.139 6.264 7.824 584 HG1 THR 4 HG1 THR 4 12.049 6.387 10.117 585 HG21 THR 4 1HG2 THR 4 13.542 7.940 9.582 586 HG22 THR 4 2HG2 THR 4 12.056 8.767 9.112 587 HG23 THR 4 3HG2 THR 4 13.407 8.669 7.982 588 H LEU 5 H LEU 5 12.806 5.531 5.809 589 HA LEU 5 HA LEU 5 10.880 4.034 4.414 590 HB2 LEU 5 1HB LEU 5 13.328 4.379 3.860 591 HB3 LEU 5 2HB LEU 5 13.694 3.182 5.081 592 HG LEU 5 HG LEU 5 13.597 2.506 2.576 593 HD11 LEU 5 1HD1 LEU 5 12.261 0.911 4.750 594 HD12 LEU 5 2HD1 LEU 5 13.974 0.908 4.327 595 HD13 LEU 5 3HD1 LEU 5 12.784 0.259 3.197 596 HD21 LEU 5 1HD2 LEU 5 10.682 2.384 3.317 597 HD22 LEU 5 2HD2 LEU 5 11.410 1.745 1.845 598 HD23 LEU 5 3HD2 LEU 5 11.405 3.484 2.143 599 H HIS 6 H HIS 6 12.791 3.304 7.309 600 HA HIS 6 HA HIS 6 11.860 0.721 7.769 601 HB2 HIS 6 1HB HIS 6 13.791 1.749 8.910 602 HB3 HIS 6 2HB HIS 6 12.695 2.780 9.813 603 HD1 HIS 6 HD1 HIS 6 13.157 1.899 12.121 604 HD2 HIS 6 HD2 HIS 6 12.171 -1.106 9.430 605 HE1 HIS 6 HE1 HIS 6 12.917 -0.189 13.492 606 HE2 HIS 6 HE2 HIS 6 12.503 -2.024 11.822 607 H GLU 7 H GLU 7 10.579 3.826 8.850 608 HA GLU 7 HA GLU 7 8.549 2.880 10.524 609 HB2 GLU 7 1HB GLU 7 8.781 5.375 8.856 610 HB3 GLU 7 2HB GLU 7 7.436 5.087 9.950 611 HG2 GLU 7 1HG GLU 7 10.263 4.975 10.907 612 HG3 GLU 7 2HG GLU 7 9.404 6.505 10.759 613 H LEU 8 H LEU 8 8.641 3.455 7.052 614 HA LEU 8 HA LEU 8 5.884 2.979 6.591 615 HB2 LEU 8 1HB LEU 8 7.533 4.213 5.114 616 HB3 LEU 8 2HB LEU 8 8.137 2.647 4.619 617 HG LEU 8 HG LEU 8 6.472 3.830 3.088 618 HD11 LEU 8 1HD1 LEU 8 6.018 1.003 3.993 619 HD12 LEU 8 2HD1 LEU 8 7.063 1.556 2.684 620 HD13 LEU 8 3HD1 LEU 8 5.312 1.702 2.539 621 HD21 LEU 8 1HD2 LEU 8 4.916 4.480 4.884 622 HD22 LEU 8 2HD2 LEU 8 4.510 2.777 5.109 623 HD23 LEU 8 3HD2 LEU 8 4.136 3.579 3.584 624 H LEU 9 H LEU 9 8.778 0.962 6.385 625 HA LEU 9 HA LEU 9 7.525 -1.354 5.418 626 HB2 LEU 9 1HB LEU 9 10.057 -0.798 6.890 627 HB3 LEU 9 2HB LEU 9 9.520 -2.457 6.743 628 HG LEU 9 HG LEU 9 11.185 -1.686 5.013 629 HD11 LEU 9 1HD1 LEU 9 9.836 -3.668 4.678 630 HD12 LEU 9 2HD1 LEU 9 10.033 -2.793 3.159 631 HD13 LEU 9 3HD1 LEU 9 8.513 -2.683 4.051 632 HD21 LEU 9 1HD2 LEU 9 10.222 0.549 4.655 633 HD22 LEU 9 2HD2 LEU 9 8.812 -0.202 3.908 634 HD23 LEU 9 3HD2 LEU 9 10.400 -0.368 3.160 635 H GLU 10 H GLU 10 8.077 -0.233 8.738 636 HA GLU 10 HA GLU 10 6.902 -2.512 9.957 637 HB2 GLU 10 1HB GLU 10 7.261 0.305 10.984 638 HB3 GLU 10 2HB GLU 10 6.680 -1.033 11.966 639 HG2 GLU 10 1HG GLU 10 8.825 -2.219 11.424 640 HG3 GLU 10 2HG GLU 10 9.390 -0.706 10.713 641 H ARG 11 H ARG 11 5.639 0.397 8.566 642 HA ARG 11 HA ARG 11 3.104 0.442 9.788 643 HB2 ARG 11 1HB ARG 11 4.451 2.130 8.181 644 HB3 ARG 11 2HB ARG 11 3.385 1.401 6.990 645 HG2 ARG 11 1HG ARG 11 2.465 2.732 9.525 646 HG3 ARG 11 2HG ARG 11 2.525 3.501 7.942 647 HD2 ARG 11 1HD ARG 11 0.900 2.009 7.068 648 HD3 ARG 11 2HD ARG 11 0.964 0.999 8.510 649 HE ARG 11 HE ARG 11 -0.035 3.786 8.539 650 HH11 ARG 11 1HH1 ARG 11 -0.332 0.408 9.457 651 HH12 ARG 11 2HH1 ARG 11 -1.729 0.677 10.443 652 HH21 ARG 11 1HH2 ARG 11 -1.845 4.132 9.847 653 HH22 ARG 11 2HH2 ARG 11 -2.595 2.796 10.669 654 H ILE 12 H ILE 12 4.343 -1.126 6.890 655 HA ILE 12 HA ILE 12 1.694 -2.207 6.315 656 HB ILE 12 HB ILE 12 2.641 -2.943 4.182 657 HG12 ILE 12 1HG1 ILE 12 5.172 -1.547 5.089 658 HG13 ILE 12 2HG1 ILE 12 4.978 -3.293 4.975 659 HG21 ILE 12 1HG2 ILE 12 1.615 -0.772 4.318 660 HG22 ILE 12 2HG2 ILE 12 3.029 -0.672 3.263 661 HG23 ILE 12 3HG2 ILE 12 3.116 -0.061 4.916 662 HD11 ILE 12 1HD1 ILE 12 4.595 -3.086 2.568 663 HD12 ILE 12 2HD1 ILE 12 6.160 -2.425 3.050 664 HD13 ILE 12 3HD1 ILE 12 4.814 -1.339 2.694 665 H GLY 13 H GLY 13 4.547 -3.125 7.871 666 HA2 GLY 13 1HA GLY 13 4.701 -5.070 9.178 667 HA3 GLY 13 2HA GLY 13 3.444 -5.802 8.195 668 H LEU 14 H LEU 14 6.282 -4.241 6.883 669 HA LEU 14 HA LEU 14 7.323 -6.883 6.115 670 HB2 LEU 14 1HB LEU 14 7.008 -4.391 4.494 671 HB3 LEU 14 2HB LEU 14 8.311 -5.502 4.130 672 HG LEU 14 HG LEU 14 6.552 -6.030 2.655 673 HD11 LEU 14 1HD1 LEU 14 6.009 -8.305 3.219 674 HD12 LEU 14 2HD1 LEU 14 6.419 -8.011 4.906 675 HD13 LEU 14 3HD1 LEU 14 7.676 -7.946 3.670 676 HD21 LEU 14 1HD2 LEU 14 4.293 -6.609 3.408 677 HD22 LEU 14 2HD2 LEU 14 4.710 -4.923 3.714 678 HD23 LEU 14 3HD2 LEU 14 4.724 -6.091 5.037 679 H GLU 15 H GLU 15 7.954 -5.172 8.404 680 HA GLU 15 HA GLU 15 10.339 -3.761 8.077 681 HB2 GLU 15 1HB GLU 15 10.654 -4.026 10.475 682 HB3 GLU 15 2HB GLU 15 8.977 -3.652 10.107 683 HG2 GLU 15 1HG GLU 15 8.339 -5.942 10.424 684 HG3 GLU 15 2HG GLU 15 10.023 -6.417 10.641 685 H GLU 16 H GLU 16 9.731 -7.130 8.051 686 HA GLU 16 HA GLU 16 12.216 -8.193 8.734 687 HB2 GLU 16 1HB GLU 16 11.531 -10.122 7.323 688 HB3 GLU 16 2HB GLU 16 10.284 -9.611 8.452 689 HG2 GLU 16 1HG GLU 16 9.078 -8.495 6.705 690 HG3 GLU 16 2HG GLU 16 10.379 -8.804 5.556 691 H HIS 17 H HIS 17 11.283 -6.326 6.016 692 HA HIS 17 HA HIS 17 13.706 -7.175 4.579 693 HB2 HIS 17 1HB HIS 17 11.043 -6.261 3.528 694 HB3 HIS 17 2HB HIS 17 12.489 -6.280 2.526 695 HD1 HIS 17 HD1 HIS 17 13.764 -8.845 2.819 696 HD2 HIS 17 HD2 HIS 17 9.634 -8.507 3.156 697 HE1 HIS 17 HE1 HIS 17 12.863 -11.160 2.451 698 HE2 HIS 17 HE2 HIS 17 10.414 -10.969 2.984 699 H THR 18 H THR 18 12.826 -4.791 6.529 700 HA THR 18 HA THR 18 13.242 -2.408 5.163 701 HB THR 18 HB THR 18 14.343 -2.964 7.908 702 HG1 THR 18 HG1 THR 18 12.351 -3.246 8.516 703 HG21 THR 18 1HG2 THR 18 14.996 -0.836 6.917 704 HG22 THR 18 2HG2 THR 18 13.877 -0.582 8.259 705 HG23 THR 18 3HG2 THR 18 13.303 -0.459 6.594 706 H SER 19 H SER 19 15.615 -4.566 6.664 707 HA SER 19 HA SER 19 17.909 -3.138 5.899 708 HB2 SER 19 1HB SER 19 17.955 -4.864 7.630 709 HB3 SER 19 2HB SER 19 17.573 -6.095 6.434 710 HG SER 19 HG SER 19 19.861 -4.441 6.231 711 H THR 20 H THR 20 16.068 -5.712 4.313 712 HA THR 20 HA THR 20 17.703 -6.237 2.138 713 HB THR 20 HB THR 20 14.696 -6.035 1.976 714 HG1 THR 20 HG1 THR 20 16.335 -7.852 3.350 715 HG21 THR 20 1HG2 THR 20 14.931 -7.861 0.366 716 HG22 THR 20 2HG2 THR 20 16.682 -7.831 0.585 717 HG23 THR 20 3HG2 THR 20 15.859 -6.446 -0.134 718 H LEU 21 H LEU 21 15.129 -3.811 2.446 719 HA LEU 21 HA LEU 21 15.544 -2.584 -0.052 720 HB2 LEU 21 1HB LEU 21 14.235 -1.756 2.508 721 HB3 LEU 21 2HB LEU 21 14.481 -0.563 1.257 722 HG LEU 21 HG LEU 21 12.314 -1.247 0.865 723 HD11 LEU 21 1HD1 LEU 21 12.277 -2.535 -1.163 724 HD12 LEU 21 2HD1 LEU 21 13.888 -3.167 -0.829 725 HD13 LEU 21 3HD1 LEU 21 13.669 -1.450 -1.172 726 HD21 LEU 21 1HD2 LEU 21 12.249 -3.046 2.498 727 HD22 LEU 21 2HD2 LEU 21 13.128 -4.096 1.385 728 HD23 LEU 21 3HD2 LEU 21 11.507 -3.537 0.973 729 H LEU 22 H LEU 22 16.647 -1.664 3.200 730 HA LEU 22 HA LEU 22 18.073 0.615 2.559 731 HB2 LEU 22 1HB LEU 22 18.040 -1.317 4.763 732 HB3 LEU 22 2HB LEU 22 19.553 -0.452 4.592 733 HG LEU 22 HG LEU 22 18.416 1.678 4.850 734 HD11 LEU 22 1HD1 LEU 22 16.042 1.813 5.329 735 HD12 LEU 22 2HD1 LEU 22 15.884 0.069 5.123 736 HD13 LEU 22 3HD1 LEU 22 16.312 1.085 3.746 737 HD21 LEU 22 1HD2 LEU 22 17.591 -0.321 6.948 738 HD22 LEU 22 2HD2 LEU 22 17.665 1.429 7.161 739 HD23 LEU 22 3HD2 LEU 22 19.142 0.513 6.859 740 H LEU 23 H LEU 23 19.203 -2.737 2.538 741 HA LEU 23 HA LEU 23 21.917 -2.212 2.044 742 HB2 LEU 23 1HB LEU 23 20.215 -4.602 1.372 743 HB3 LEU 23 2HB LEU 23 21.954 -4.565 1.187 744 HG LEU 23 HG LEU 23 20.470 -4.255 3.795 745 HD11 LEU 23 1HD1 LEU 23 20.301 -6.512 2.894 746 HD12 LEU 23 2HD1 LEU 23 21.350 -6.471 4.311 747 HD13 LEU 23 3HD1 LEU 23 22.052 -6.573 2.696 748 HD21 LEU 23 1HD2 LEU 23 22.566 -3.036 3.799 749 HD22 LEU 23 2HD2 LEU 23 23.418 -4.457 3.194 750 HD23 LEU 23 3HD2 LEU 23 22.699 -4.479 4.803 751 H ASN 24 H ASN 24 19.156 -2.480 -0.078 752 HA ASN 24 HA ASN 24 20.909 -2.480 -2.406 753 HB2 ASN 24 1HB ASN 24 18.005 -3.111 -2.023 754 HB3 ASN 24 2HB ASN 24 18.682 -2.852 -3.628 755 HD21 ASN 24 1HD2 ASN 24 18.579 -4.925 -0.855 756 HD22 ASN 24 2HD2 ASN 24 19.401 -6.270 -1.578 757 H GLY 25 H GLY 25 19.830 -0.182 -0.511 758 HA2 GLY 25 1HA GLY 25 20.457 2.041 -1.148 759 HA3 GLY 25 2HA GLY 25 19.906 1.690 -2.776 760 H TYR 26 H TYR 26 17.610 0.398 -0.883 761 HA TYR 26 HA TYR 26 15.883 2.706 -1.261 762 HB2 TYR 26 1HB TYR 26 15.283 -0.097 -0.328 763 HB3 TYR 26 2HB TYR 26 14.073 1.142 -0.638 764 HD1 TYR 26 HD1 TYR 26 16.112 -1.445 -2.034 765 HD2 TYR 26 HD2 TYR 26 13.847 2.019 -3.000 766 HE1 TYR 26 HE1 TYR 26 16.017 -2.171 -4.377 767 HE2 TYR 26 HE2 TYR 26 13.742 1.304 -5.346 768 HH TYR 26 HH TYR 26 15.147 -0.172 -6.879 769 H GLN 27 H GLN 27 16.956 3.970 0.364 770 HA GLN 27 HA GLN 27 16.559 3.024 3.113 771 HB2 GLN 27 1HB GLN 27 18.324 5.274 2.170 772 HB3 GLN 27 2HB GLN 27 18.310 4.528 3.762 773 HG2 GLN 27 1HG GLN 27 19.035 2.411 2.731 774 HG3 GLN 27 2HG GLN 27 19.141 3.237 1.180 775 HE21 GLN 27 1HE2 GLN 27 21.220 1.893 2.648 776 HE22 GLN 27 2HE2 GLN 27 22.446 3.069 2.963 777 H THR 28 H THR 28 15.354 5.152 0.826 778 HA THR 28 HA THR 28 13.990 6.663 2.946 779 HB THR 28 HB THR 28 13.951 8.638 1.520 780 HG1 THR 28 HG1 THR 28 15.622 7.159 -0.271 781 HG21 THR 28 1HG2 THR 28 16.353 9.201 1.554 782 HG22 THR 28 2HG2 THR 28 16.729 7.501 1.844 783 HG23 THR 28 3HG2 THR 28 15.828 8.424 3.048 784 H LEU 29 H LEU 29 11.898 7.560 2.233 785 HA LEU 29 HA LEU 29 10.294 5.654 0.894 786 HB2 LEU 29 1HB LEU 29 9.721 8.563 1.474 787 HB3 LEU 29 2HB LEU 29 8.528 7.343 1.065 788 HG LEU 29 HG LEU 29 10.238 7.348 3.556 789 HD11 LEU 29 1HD1 LEU 29 8.561 9.121 3.575 790 HD12 LEU 29 2HD1 LEU 29 8.166 7.851 4.735 791 HD13 LEU 29 3HD1 LEU 29 7.305 7.941 3.197 792 HD21 LEU 29 1HD2 LEU 29 8.862 5.496 4.278 793 HD22 LEU 29 2HD2 LEU 29 9.666 5.100 2.759 794 HD23 LEU 29 3HD2 LEU 29 7.960 5.545 2.764 795 H GLU 30 H GLU 30 12.121 8.405 -0.099 796 HA GLU 30 HA GLU 30 11.017 8.824 -2.661 797 HB2 GLU 30 1HB GLU 30 13.827 9.301 -1.659 798 HB3 GLU 30 2HB GLU 30 13.168 9.934 -3.160 799 HG2 GLU 30 1HG GLU 30 11.543 11.241 -1.919 800 HG3 GLU 30 2HG GLU 30 12.148 10.574 -0.402 801 H ASP 31 H ASP 31 13.374 6.571 -1.391 802 HA ASP 31 HA ASP 31 14.101 5.574 -3.998 803 HB2 ASP 31 1HB ASP 31 14.640 4.430 -1.249 804 HB3 ASP 31 2HB ASP 31 15.337 3.839 -2.749 805 H PHE 32 H PHE 32 12.044 4.625 -1.317 806 HA PHE 32 HA PHE 32 11.462 2.039 -2.269 807 HB2 PHE 32 1HB PHE 32 11.168 2.885 0.087 808 HB3 PHE 32 2HB PHE 32 9.699 3.683 -0.461 809 HD1 PHE 32 HD1 PHE 32 11.288 0.477 0.280 810 HD2 PHE 32 HD2 PHE 32 7.736 2.391 -1.051 811 HE1 PHE 32 HE1 PHE 32 10.033 -1.606 0.643 812 HE2 PHE 32 HE2 PHE 32 6.478 0.318 -0.689 813 HZ PHE 32 HZ PHE 32 7.622 -1.683 0.162 814 H LYS 33 H LYS 33 10.036 5.161 -2.978 815 HA LYS 33 HA LYS 33 7.713 4.082 -4.237 816 HB2 LYS 33 1HB LYS 33 7.402 6.336 -5.157 817 HB3 LYS 33 2HB LYS 33 7.719 6.371 -3.430 818 HG2 LYS 33 1HG LYS 33 10.057 6.952 -3.887 819 HG3 LYS 33 2HG LYS 33 9.695 6.974 -5.613 820 HD2 LYS 33 1HD LYS 33 9.672 9.228 -4.735 821 HD3 LYS 33 2HD LYS 33 8.045 8.758 -5.220 822 HE2 LYS 33 1HE LYS 33 7.434 8.341 -2.926 823 HE3 LYS 33 2HE LYS 33 9.085 8.638 -2.392 824 HZ1 LYS 33 1HZ LYS 33 7.230 10.623 -3.588 825 HZ2 LYS 33 2HZ LYS 33 8.847 10.934 -3.211 826 HZ3 LYS 33 3HZ LYS 33 7.752 10.568 -1.979 827 H GLU 34 H GLU 34 10.906 3.951 -5.050 828 HA GLU 34 HA GLU 34 10.348 3.667 -7.920 829 HB2 GLU 34 1HB GLU 34 13.016 3.699 -6.503 830 HB3 GLU 34 2HB GLU 34 12.754 3.729 -8.238 831 HG2 GLU 34 1HG GLU 34 11.618 5.922 -7.962 832 HG3 GLU 34 2HG GLU 34 12.079 5.888 -6.261 833 H LEU 35 H LEU 35 10.258 1.944 -5.209 834 HA LEU 35 HA LEU 35 11.731 -0.402 -5.909 835 HB2 LEU 35 1HB LEU 35 11.369 0.288 -3.599 836 HB3 LEU 35 2HB LEU 35 9.640 0.167 -3.806 837 HG LEU 35 HG LEU 35 10.919 -1.661 -2.512 838 HD11 LEU 35 1HD1 LEU 35 9.245 -3.230 -3.022 839 HD12 LEU 35 2HD1 LEU 35 9.031 -2.587 -4.650 840 HD13 LEU 35 3HD1 LEU 35 8.514 -1.641 -3.251 841 HD21 LEU 35 1HD2 LEU 35 11.396 -2.579 -5.338 842 HD22 LEU 35 2HD2 LEU 35 11.692 -3.522 -3.877 843 HD23 LEU 35 3HD2 LEU 35 12.635 -2.064 -4.192 844 H ARG 36 H ARG 36 11.106 -1.946 -7.245 845 HA ARG 36 HA ARG 36 8.265 -2.135 -7.956 846 HB2 ARG 36 1HB ARG 36 10.631 -2.233 -9.829 847 HB3 ARG 36 2HB ARG 36 8.973 -2.582 -10.295 848 HG2 ARG 36 1HG ARG 36 10.066 0.050 -9.325 849 HG3 ARG 36 2HG ARG 36 9.510 -0.344 -10.955 850 HD2 ARG 36 1HD ARG 36 7.256 -0.752 -10.056 851 HD3 ARG 36 2HD ARG 36 7.829 -0.287 -8.458 852 HE ARG 36 HE ARG 36 8.343 1.779 -10.315 853 HH11 ARG 36 1HH1 ARG 36 5.776 0.234 -8.547 854 HH12 ARG 36 2HH1 ARG 36 4.735 1.627 -8.531 855 HH21 ARG 36 1HH2 ARG 36 7.006 3.652 -10.303 856 HH22 ARG 36 2HH2 ARG 36 5.457 3.582 -9.523 857 H GLU 37 H GLU 37 7.710 -4.235 -9.033 858 HA GLU 37 HA GLU 37 8.405 -6.317 -7.309 859 HB2 GLU 37 1HB GLU 37 6.315 -6.261 -8.592 860 HB3 GLU 37 2HB GLU 37 7.222 -6.525 -10.076 861 HG2 GLU 37 1HG GLU 37 7.944 -8.692 -9.280 862 HG3 GLU 37 2HG GLU 37 7.108 -8.426 -7.751 863 H THR 38 H THR 38 9.577 -5.524 -10.530 864 HA THR 38 HA THR 38 11.261 -7.706 -10.944 865 HB THR 38 HB THR 38 11.735 -4.840 -11.790 866 HG1 THR 38 HG1 THR 38 10.558 -5.475 -13.665 867 HG21 THR 38 1HG2 THR 38 13.680 -6.304 -12.104 868 HG22 THR 38 2HG2 THR 38 12.979 -5.820 -13.648 869 HG23 THR 38 3HG2 THR 38 12.678 -7.437 -13.011 870 H HIS 39 H HIS 39 11.601 -4.883 -8.950 871 HA HIS 39 HA HIS 39 14.414 -5.239 -8.475 872 HB2 HIS 39 1HB HIS 39 12.387 -3.506 -7.050 873 HB3 HIS 39 2HB HIS 39 14.127 -3.456 -6.783 874 HD1 HIS 39 HD1 HIS 39 12.821 -0.886 -7.653 875 HD2 HIS 39 HD2 HIS 39 14.292 -3.686 -10.348 876 HE1 HIS 39 HE1 HIS 39 13.134 0.356 -9.803 877 HE2 HIS 39 HE2 HIS 39 14.189 -1.309 -11.372 878 H LEU 40 H LEU 40 11.394 -6.204 -6.981 879 HA LEU 40 HA LEU 40 12.501 -7.175 -4.562 880 HB2 LEU 40 1HB LEU 40 9.964 -7.687 -6.038 881 HB3 LEU 40 2HB LEU 40 10.420 -8.772 -4.740 882 HG LEU 40 HG LEU 40 10.607 -6.706 -3.274 883 HD11 LEU 40 1HD1 LEU 40 10.707 -5.039 -4.997 884 HD12 LEU 40 2HD1 LEU 40 9.273 -4.791 -4.002 885 HD13 LEU 40 3HD1 LEU 40 9.122 -5.522 -5.595 886 HD21 LEU 40 1HD2 LEU 40 7.939 -7.504 -4.409 887 HD22 LEU 40 2HD2 LEU 40 8.179 -6.601 -2.913 888 HD23 LEU 40 3HD2 LEU 40 8.780 -8.253 -3.051 889 H ASN 41 H ASN 41 12.113 -8.543 -7.756 890 HA ASN 41 HA ASN 41 12.956 -11.155 -7.193 891 HB2 ASN 41 1HB ASN 41 13.330 -9.457 -9.663 892 HB3 ASN 41 2HB ASN 41 13.776 -11.156 -9.586 893 HD21 ASN 41 1HD2 ASN 41 11.863 -9.919 -11.323 894 HD22 ASN 41 2HD2 ASN 41 10.330 -10.644 -10.987 895 H GLU 42 H GLU 42 14.708 -8.181 -7.727 896 HA GLU 42 HA GLU 42 17.318 -9.316 -7.635 897 HB2 GLU 42 1HB GLU 42 16.389 -6.484 -7.152 898 HB3 GLU 42 2HB GLU 42 18.049 -6.979 -7.440 899 HG2 GLU 42 1HG GLU 42 15.792 -7.332 -9.392 900 HG3 GLU 42 2HG GLU 42 16.948 -6.003 -9.416 901 H LEU 43 H LEU 43 15.118 -7.869 -5.333 902 HA LEU 43 HA LEU 43 16.933 -7.845 -3.126 903 HB2 LEU 43 1HB LEU 43 13.923 -7.699 -3.167 904 HB3 LEU 43 2HB LEU 43 14.951 -7.283 -1.813 905 HG LEU 43 HG LEU 43 15.018 -5.841 -4.456 906 HD11 LEU 43 1HD1 LEU 43 13.791 -4.063 -3.286 907 HD12 LEU 43 2HD1 LEU 43 13.569 -5.150 -1.912 908 HD13 LEU 43 3HD1 LEU 43 12.842 -5.537 -3.474 909 HD21 LEU 43 1HD2 LEU 43 16.206 -4.140 -3.201 910 HD22 LEU 43 2HD2 LEU 43 17.055 -5.685 -3.128 911 HD23 LEU 43 3HD2 LEU 43 16.109 -5.130 -1.746 912 H ASN 44 H ASN 44 15.263 -10.264 -4.681 913 HA ASN 44 HA ASN 44 14.995 -12.480 -4.315 914 HB2 ASN 44 1HB ASN 44 17.276 -12.129 -3.146 915 HB3 ASN 44 2HB ASN 44 16.358 -12.231 -1.650 916 HD21 ASN 44 1HD2 ASN 44 15.512 -14.192 -1.011 917 HD22 ASN 44 2HD2 ASN 44 15.951 -15.687 -1.766 918 H ILE 45 H ILE 45 13.218 -10.342 -3.261 919 HA ILE 45 HA ILE 45 11.922 -11.601 -0.985 920 HB ILE 45 HB ILE 45 11.070 -9.165 -2.559 921 HG12 ILE 45 1HG1 ILE 45 12.484 -9.358 0.110 922 HG13 ILE 45 2HG1 ILE 45 13.269 -8.942 -1.409 923 HG21 ILE 45 1HG2 ILE 45 10.130 -10.233 0.104 924 HG22 ILE 45 2HG2 ILE 45 9.208 -10.227 -1.399 925 HG23 ILE 45 3HG2 ILE 45 9.632 -8.703 -0.618 926 HD11 ILE 45 1HD1 ILE 45 11.076 -7.364 -0.091 927 HD12 ILE 45 2HD1 ILE 45 11.931 -6.935 -1.574 928 HD13 ILE 45 3HD1 ILE 45 12.795 -6.982 -0.038 929 H MET 46 H MET 46 11.306 -13.552 -1.869 930 HA MET 46 HA MET 46 9.699 -13.566 -4.290 931 HB2 MET 46 1HB MET 46 10.698 -15.847 -2.590 932 HB3 MET 46 2HB MET 46 9.923 -15.999 -4.158 933 HG2 MET 46 1HG MET 46 12.478 -14.479 -3.756 934 HG3 MET 46 2HG MET 46 12.439 -16.204 -4.097 935 HE1 MET 46 1HE MET 46 12.615 -12.719 -5.529 936 HE2 MET 46 2HE MET 46 10.855 -12.793 -5.494 937 HE3 MET 46 3HE MET 46 11.703 -12.774 -7.037 938 H ASP 47 H ASP 47 9.191 -13.457 -0.965 939 HA ASP 47 HA ASP 47 6.854 -14.953 -0.605 940 HB2 ASP 47 1HB ASP 47 7.940 -12.488 0.728 941 HB3 ASP 47 2HB ASP 47 6.397 -13.178 1.212 942 HA PRO 48 HA PRO 48 4.496 -12.871 -3.703 943 HB2 PRO 48 1HB PRO 48 2.257 -14.390 -2.514 944 HB3 PRO 48 2HB PRO 48 2.845 -14.360 -4.175 945 HG2 PRO 48 1HG PRO 48 3.317 -16.451 -2.603 946 HG3 PRO 48 2HG PRO 48 4.530 -15.873 -3.757 947 HD2 PRO 48 1HD PRO 48 4.399 -15.490 -0.800 948 HD3 PRO 48 2HD PRO 48 5.800 -15.804 -1.841 949 H GLN 49 H GLN 49 2.760 -13.245 -0.577 950 HA GLN 49 HA GLN 49 1.144 -10.961 -1.003 951 HB2 GLN 49 1HB GLN 49 1.765 -12.684 1.335 952 HB3 GLN 49 2HB GLN 49 1.104 -11.092 1.659 953 HG2 GLN 49 1HG GLN 49 -0.779 -11.651 0.123 954 HG3 GLN 49 2HG GLN 49 -0.148 -13.293 0.046 955 HE21 GLN 49 1HE2 GLN 49 -2.675 -12.157 1.142 956 HE22 GLN 49 2HE2 GLN 49 -2.755 -12.762 2.758 957 H HIS 50 H HIS 50 4.219 -11.486 0.570 958 HA HIS 50 HA HIS 50 4.464 -8.924 1.731 959 HB2 HIS 50 1HB HIS 50 6.535 -10.975 0.945 960 HB3 HIS 50 2HB HIS 50 6.923 -9.499 1.821 961 HD1 HIS 50 HD1 HIS 50 7.729 -11.037 3.851 962 HD2 HIS 50 HD2 HIS 50 3.678 -11.264 2.928 963 HE1 HIS 50 HE1 HIS 50 6.647 -12.167 5.807 964 HE2 HIS 50 HE2 HIS 50 4.186 -12.154 5.300 965 H ARG 51 H ARG 51 5.476 -10.282 -1.349 966 HA ARG 51 HA ARG 51 6.640 -8.048 -2.522 967 HB2 ARG 51 1HB ARG 51 4.959 -10.273 -3.671 968 HB3 ARG 51 2HB ARG 51 5.688 -9.033 -4.679 969 HG2 ARG 51 1HG ARG 51 7.860 -9.744 -4.167 970 HG3 ARG 51 2HG ARG 51 7.303 -10.722 -2.808 971 HD2 ARG 51 1HD ARG 51 7.916 -12.038 -4.830 972 HD3 ARG 51 2HD ARG 51 6.268 -12.293 -4.272 973 HE ARG 51 HE ARG 51 6.116 -10.310 -6.185 974 HH11 ARG 51 1HH1 ARG 51 7.209 -13.631 -6.052 975 HH12 ARG 51 2HH1 ARG 51 6.783 -13.976 -7.697 976 HH21 ARG 51 1HH2 ARG 51 5.538 -10.760 -8.360 977 HH22 ARG 51 2HH2 ARG 51 5.838 -12.348 -9.006 978 H ALA 52 H ALA 52 3.278 -9.120 -2.672 979 HA ALA 52 HA ALA 52 2.202 -7.088 -4.175 980 HB1 ALA 52 1HB ALA 52 0.057 -7.727 -3.170 981 HB2 ALA 52 2HB ALA 52 0.918 -8.640 -1.935 982 HB3 ALA 52 3HB ALA 52 1.019 -9.129 -3.625 983 H LYS 53 H LYS 53 2.637 -7.209 -0.654 984 HA LYS 53 HA LYS 53 1.384 -4.732 -0.127 985 HB2 LYS 53 1HB LYS 53 3.537 -6.085 1.504 986 HB3 LYS 53 2HB LYS 53 2.421 -4.847 2.066 987 HG2 LYS 53 1HG LYS 53 0.572 -6.487 1.408 988 HG3 LYS 53 2HG LYS 53 1.854 -7.697 1.352 989 HD2 LYS 53 1HD LYS 53 1.038 -7.920 3.507 990 HD3 LYS 53 2HD LYS 53 2.414 -6.843 3.736 991 HE2 LYS 53 1HE LYS 53 0.949 -4.917 3.767 992 HE3 LYS 53 2HE LYS 53 -0.443 -5.945 3.413 993 HZ1 LYS 53 1HZ LYS 53 -0.419 -5.487 5.733 994 HZ2 LYS 53 2HZ LYS 53 1.203 -5.942 5.881 995 HZ3 LYS 53 3HZ LYS 53 0.024 -7.111 5.539 996 H LEU 54 H LEU 54 4.811 -5.601 -0.479 997 HA LEU 54 HA LEU 54 5.914 -3.100 -0.028 998 HB2 LEU 54 1HB LEU 54 6.830 -5.344 -1.812 999 HB3 LEU 54 2HB LEU 54 7.802 -3.928 -1.470 1000 HG LEU 54 HG LEU 54 6.785 -5.795 0.663 1001 HD11 LEU 54 1HD1 LEU 54 8.262 -7.023 -0.797 1002 HD12 LEU 54 2HD1 LEU 54 9.080 -6.670 0.726 1003 HD13 LEU 54 3HD1 LEU 54 9.458 -5.728 -0.718 1004 HD21 LEU 54 1HD2 LEU 54 8.859 -3.611 0.665 1005 HD22 LEU 54 2HD2 LEU 54 8.547 -4.713 2.004 1006 HD23 LEU 54 3HD2 LEU 54 7.296 -3.585 1.483 1007 H LEU 55 H LEU 55 4.797 -4.508 -3.101 1008 HA LEU 55 HA LEU 55 5.568 -2.285 -4.666 1009 HB2 LEU 55 1HB LEU 55 3.692 -4.565 -5.128 1010 HB3 LEU 55 2HB LEU 55 3.753 -3.234 -6.265 1011 HG LEU 55 HG LEU 55 5.272 -4.558 -7.282 1012 HD11 LEU 55 1HD1 LEU 55 7.533 -3.975 -6.722 1013 HD12 LEU 55 2HD1 LEU 55 7.036 -3.456 -5.113 1014 HD13 LEU 55 3HD1 LEU 55 6.490 -2.564 -6.536 1015 HD21 LEU 55 1HD2 LEU 55 6.072 -5.719 -4.620 1016 HD22 LEU 55 2HD2 LEU 55 6.633 -6.255 -6.204 1017 HD23 LEU 55 3HD2 LEU 55 4.935 -6.439 -5.760 1018 H THR 56 H THR 56 2.508 -3.116 -3.098 1019 HA THR 56 HA THR 56 0.984 -1.010 -4.168 1020 HB THR 56 HB THR 56 0.675 -2.280 -1.448 1021 HG1 THR 56 HG1 THR 56 0.587 -3.928 -2.900 1022 HG21 THR 56 1HG2 THR 56 -1.674 -1.674 -1.687 1023 HG22 THR 56 2HG2 THR 56 -1.334 -0.936 -3.253 1024 HG23 THR 56 3HG2 THR 56 -0.655 -0.235 -1.783 1025 H ALA 57 H ALA 57 2.998 -1.236 -1.280 1026 HA ALA 57 HA ALA 57 2.473 1.313 -0.252 1027 HB1 ALA 57 1HB ALA 57 4.864 -0.490 -0.012 1028 HB2 ALA 57 2HB ALA 57 3.554 -0.256 1.147 1029 HB3 ALA 57 3HB ALA 57 4.714 1.038 0.854 1030 H ALA 58 H ALA 58 4.967 0.162 -2.498 1031 HA ALA 58 HA ALA 58 6.277 2.600 -2.900 1032 HB1 ALA 58 1HB ALA 58 7.137 1.612 -4.948 1033 HB2 ALA 58 2HB ALA 58 5.908 0.344 -4.867 1034 HB3 ALA 58 3HB ALA 58 7.164 0.438 -3.631 1035 H GLU 59 H GLU 59 3.491 1.176 -4.531 1036 HA GLU 59 HA GLU 59 3.117 3.044 -6.561 1037 HB2 GLU 59 1HB GLU 59 1.051 1.484 -5.000 1038 HB3 GLU 59 2HB GLU 59 0.739 2.320 -6.511 1039 HG2 GLU 59 1HG GLU 59 2.739 0.105 -6.197 1040 HG3 GLU 59 2HG GLU 59 1.074 -0.130 -6.715 1041 H LEU 60 H LEU 60 1.639 2.946 -3.328 1042 HA LEU 60 HA LEU 60 0.286 5.406 -3.694 1043 HB2 LEU 60 1HB LEU 60 0.683 3.524 -1.448 1044 HB3 LEU 60 2HB LEU 60 0.250 5.171 -1.032 1045 HG LEU 60 HG LEU 60 -1.758 4.986 -2.450 1046 HD11 LEU 60 1HD1 LEU 60 -0.916 2.115 -2.771 1047 HD12 LEU 60 2HD1 LEU 60 -0.972 3.338 -4.044 1048 HD13 LEU 60 3HD1 LEU 60 -2.463 2.799 -3.270 1049 HD21 LEU 60 1HD2 LEU 60 -1.369 2.957 -0.279 1050 HD22 LEU 60 2HD2 LEU 60 -2.938 3.319 -0.999 1051 HD23 LEU 60 3HD2 LEU 60 -2.047 4.579 -0.143 1052 H LEU 61 H LEU 61 3.418 4.597 -2.235 1053 HA LEU 61 HA LEU 61 3.849 7.128 -1.053 1054 HB2 LEU 61 1HB LEU 61 5.798 5.077 -2.073 1055 HB3 LEU 61 2HB LEU 61 6.284 6.529 -1.226 1056 HG LEU 61 HG LEU 61 4.642 4.260 -0.117 1057 HD11 LEU 61 1HD1 LEU 61 7.144 4.031 -0.432 1058 HD12 LEU 61 2HD1 LEU 61 6.521 3.757 1.191 1059 HD13 LEU 61 3HD1 LEU 61 7.310 5.284 0.795 1060 HD21 LEU 61 1HD2 LEU 61 4.749 5.493 2.014 1061 HD22 LEU 61 2HD2 LEU 61 3.819 6.355 0.790 1062 HD23 LEU 61 3HD2 LEU 61 5.465 6.864 1.166 1063 H LEU 62 H LEU 62 4.028 6.049 -4.319 1064 HA LEU 62 HA LEU 62 5.750 8.117 -5.260 1065 HB2 LEU 62 1HB LEU 62 5.434 5.933 -6.391 1066 HB3 LEU 62 2HB LEU 62 3.798 6.412 -6.798 1067 HG LEU 62 HG LEU 62 4.677 8.255 -8.169 1068 HD11 LEU 62 1HD1 LEU 62 7.369 7.107 -7.451 1069 HD12 LEU 62 2HD1 LEU 62 6.746 8.691 -6.988 1070 HD13 LEU 62 3HD1 LEU 62 7.078 8.334 -8.683 1071 HD21 LEU 62 1HD2 LEU 62 4.209 6.101 -9.201 1072 HD22 LEU 62 2HD2 LEU 62 5.843 5.555 -8.825 1073 HD23 LEU 62 3HD2 LEU 62 5.596 6.875 -9.968 1074 H ASP 63 H ASP 63 2.288 7.737 -4.890 1075 HA ASP 63 HA ASP 63 1.850 10.340 -6.167 1076 HB2 ASP 63 1HB ASP 63 -0.022 8.097 -5.440 1077 HB3 ASP 63 2HB ASP 63 -0.599 9.683 -5.940 1078 H TYR 64 H TYR 64 1.562 8.686 -3.121 1079 HA TYR 64 HA TYR 64 0.284 11.033 -1.909 1080 HB2 TYR 64 1HB TYR 64 0.444 8.169 -0.966 1081 HB3 TYR 64 2HB TYR 64 -0.314 9.474 -0.066 1082 HD1 TYR 64 HD1 TYR 64 -0.638 7.155 -2.842 1083 HD2 TYR 64 HD2 TYR 64 -2.419 10.452 -0.844 1084 HE1 TYR 64 HE1 TYR 64 -2.756 6.694 -3.985 1085 HE2 TYR 64 HE2 TYR 64 -4.545 10.010 -1.982 1086 HH TYR 64 HH TYR 64 -5.377 8.894 -3.973 1087 H ASP 65 H ASP 65 2.955 11.392 -2.331 1088 HA ASP 65 HA ASP 65 4.472 10.555 -0.029 1089 HB2 ASP 65 1HB ASP 65 6.289 11.856 -0.971 1090 HB3 ASP 65 2HB ASP 65 5.535 10.892 -2.235 1091 H THR 66 H THR 66 2.131 11.916 0.642 1092 HA THR 66 HA THR 66 1.191 13.652 1.729 1093 HB THR 66 HB THR 66 2.811 14.693 3.516 1094 HG1 THR 66 HG1 THR 66 4.585 13.389 2.249 1095 HG21 THR 66 1HG2 THR 66 1.931 11.812 3.549 1096 HG22 THR 66 2HG2 THR 66 0.970 13.205 4.033 1097 HG23 THR 66 3HG2 THR 66 2.394 12.750 4.967 1098 H GLY 67 H GLY 67 2.262 14.395 -0.805 1099 HA2 GLY 67 1HA GLY 67 3.523 16.981 -0.451 1100 HA3 GLY 67 2HA GLY 67 3.105 16.224 -1.979 1101 H CYS 68 H CYS 68 1.004 16.818 0.767 1102 HA CYS 68 HA CYS 68 -0.917 17.963 1.053 1103 HB2 CYS 68 1HB CYS 68 0.330 19.782 -0.998 1104 HB3 CYS 68 2HB CYS 68 -1.126 20.166 -0.090 1105 H GLU 69 H GLU 69 -2.985 18.563 0.093 1106 HA GLU 69 HA GLU 69 -3.643 16.774 -2.086 1107 HB2 GLU 69 1HB GLU 69 -5.382 18.538 -0.352 1108 HB3 GLU 69 2HB GLU 69 -5.988 17.433 -1.579 1109 HG2 GLU 69 1HG GLU 69 -5.068 15.547 -0.371 1110 HG3 GLU 69 2HG GLU 69 -4.396 16.633 0.844 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 -2.412 11.254 -10.276 2 H2 GLY 1 2H GLY 1 -2.306 9.616 -9.886 3 H3 GLY 1 3H GLY 1 -0.972 10.627 -9.648 4 HA2 GLY 1 2HA GLY 1 -1.971 10.217 -7.541 5 HA3 GLY 1 1HA GLY 1 -2.236 11.893 -7.991 6 HA PRO 2 HA PRO 2 -6.382 9.324 -8.273 7 HB2 PRO 2 1HB PRO 2 -6.066 7.688 -5.864 8 HB3 PRO 2 2HB PRO 2 -6.594 7.211 -7.479 9 HG2 PRO 2 1HG PRO 2 -4.209 6.469 -6.496 10 HG3 PRO 2 2HG PRO 2 -4.447 6.826 -8.217 11 HD2 PRO 2 1HD PRO 2 -3.252 8.545 -6.073 12 HD3 PRO 2 2HD PRO 2 -2.704 8.284 -7.743 13 H LYS 3 H LYS 3 -7.763 10.797 -7.594 14 HA LYS 3 HA LYS 3 -7.646 11.721 -4.818 15 HB2 LYS 3 1HB LYS 3 -9.235 12.781 -7.156 16 HB3 LYS 3 2HB LYS 3 -9.158 13.503 -5.558 17 HG2 LYS 3 1HG LYS 3 -6.828 13.175 -7.433 18 HG3 LYS 3 2HG LYS 3 -7.738 14.663 -7.185 19 HD2 LYS 3 1HD LYS 3 -6.157 13.192 -5.076 20 HD3 LYS 3 2HD LYS 3 -5.640 14.653 -5.913 21 HE2 LYS 3 1HE LYS 3 -8.036 14.383 -4.103 22 HE3 LYS 3 2HE LYS 3 -6.520 15.188 -3.711 23 HZ1 LYS 3 1HZ LYS 3 -6.963 16.775 -5.493 24 HZ2 LYS 3 2HZ LYS 3 -8.195 16.785 -4.337 25 HZ3 LYS 3 3HZ LYS 3 -8.439 16.018 -5.820 26 H THR 4 H THR 4 -9.117 9.433 -6.666 27 HA THR 4 HA THR 4 -11.444 9.354 -4.886 28 HB THR 4 HB THR 4 -12.691 8.258 -6.768 29 HG1 THR 4 HG1 THR 4 -11.462 9.208 -8.848 30 HG21 THR 4 1HG2 THR 4 -13.086 10.590 -6.211 31 HG22 THR 4 2HG2 THR 4 -13.159 10.361 -7.959 32 HG23 THR 4 3HG2 THR 4 -11.726 11.080 -7.222 33 H LEU 5 H LEU 5 -12.399 7.169 -4.708 34 HA LEU 5 HA LEU 5 -10.431 5.318 -3.905 35 HB2 LEU 5 1HB LEU 5 -12.765 5.622 -2.984 36 HB3 LEU 5 2HB LEU 5 -13.358 4.782 -4.399 37 HG LEU 5 HG LEU 5 -13.060 3.495 -2.177 38 HD11 LEU 5 1HD1 LEU 5 -12.441 1.443 -3.405 39 HD12 LEU 5 2HD1 LEU 5 -12.034 2.442 -4.802 40 HD13 LEU 5 3HD1 LEU 5 -13.693 2.393 -4.205 41 HD21 LEU 5 1HD2 LEU 5 -10.866 2.488 -1.884 42 HD22 LEU 5 2HD2 LEU 5 -10.782 4.243 -1.735 43 HD23 LEU 5 3HD2 LEU 5 -10.234 3.455 -3.215 44 H HIS 6 H HIS 6 -12.589 5.485 -6.683 45 HA HIS 6 HA HIS 6 -12.039 3.060 -7.900 46 HB2 HIS 6 1HB HIS 6 -13.770 4.797 -8.540 47 HB3 HIS 6 2HB HIS 6 -12.482 5.661 -9.362 48 HD1 HIS 6 HD1 HIS 6 -15.121 3.445 -10.073 49 HD2 HIS 6 HD2 HIS 6 -11.182 3.732 -11.353 50 HE1 HIS 6 HE1 HIS 6 -15.019 2.164 -12.227 51 HE2 HIS 6 HE2 HIS 6 -12.690 2.555 -13.092 52 H GLU 7 H GLU 7 -10.391 6.169 -8.300 53 HA GLU 7 HA GLU 7 -8.542 5.282 -10.239 54 HB2 GLU 7 1HB GLU 7 -8.494 7.600 -8.317 55 HB3 GLU 7 2HB GLU 7 -7.256 7.341 -9.539 56 HG2 GLU 7 1HG GLU 7 -10.180 7.650 -10.154 57 HG3 GLU 7 2HG GLU 7 -9.030 8.982 -10.148 58 H LEU 8 H LEU 8 -8.569 5.216 -6.750 59 HA LEU 8 HA LEU 8 -5.803 4.683 -6.400 60 HB2 LEU 8 1HB LEU 8 -7.394 5.595 -4.682 61 HB3 LEU 8 2HB LEU 8 -8.069 3.987 -4.539 62 HG LEU 8 HG LEU 8 -6.339 4.781 -2.802 63 HD11 LEU 8 1HD1 LEU 8 -6.045 2.130 -4.191 64 HD12 LEU 8 2HD1 LEU 8 -7.143 2.512 -2.864 65 HD13 LEU 8 3HD1 LEU 8 -5.399 2.516 -2.597 66 HD21 LEU 8 1HD2 LEU 8 -4.728 5.609 -4.475 67 HD22 LEU 8 2HD2 LEU 8 -4.454 3.945 -4.988 68 HD23 LEU 8 3HD2 LEU 8 -4.031 4.444 -3.352 69 H LEU 9 H LEU 9 -8.680 2.640 -6.612 70 HA LEU 9 HA LEU 9 -7.394 0.191 -6.125 71 HB2 LEU 9 1HB LEU 9 -9.939 1.008 -7.432 72 HB3 LEU 9 2HB LEU 9 -9.378 -0.632 -7.668 73 HG LEU 9 HG LEU 9 -11.026 -0.312 -5.797 74 HD11 LEU 9 1HD1 LEU 9 -9.819 -1.771 -4.240 75 HD12 LEU 9 2HD1 LEU 9 -8.318 -1.425 -5.102 76 HD13 LEU 9 3HD1 LEU 9 -9.627 -2.281 -5.918 77 HD21 LEU 9 1HD2 LEU 9 -8.678 0.957 -4.408 78 HD22 LEU 9 2HD2 LEU 9 -10.255 0.597 -3.705 79 HD23 LEU 9 3HD2 LEU 9 -10.109 1.819 -4.970 80 H GLU 10 H GLU 10 -7.924 1.989 -9.122 81 HA GLU 10 HA GLU 10 -6.751 0.026 -10.804 82 HB2 GLU 10 1HB GLU 10 -7.024 3.005 -11.212 83 HB3 GLU 10 2HB GLU 10 -6.565 1.855 -12.459 84 HG2 GLU 10 1HG GLU 10 -8.756 0.716 -12.084 85 HG3 GLU 10 2HG GLU 10 -9.199 2.059 -11.031 86 H ARG 11 H ARG 11 -5.498 2.589 -8.831 87 HA ARG 11 HA ARG 11 -2.926 2.853 -9.943 88 HB2 ARG 11 1HB ARG 11 -4.315 4.189 -8.082 89 HB3 ARG 11 2HB ARG 11 -3.344 3.194 -7.014 90 HG2 ARG 11 1HG ARG 11 -2.134 4.911 -9.157 91 HG3 ARG 11 2HG ARG 11 -2.494 5.516 -7.544 92 HD2 ARG 11 1HD ARG 11 -0.337 4.894 -7.216 93 HD3 ARG 11 2HD ARG 11 -1.126 3.366 -6.844 94 HE ARG 11 HE ARG 11 -0.271 2.450 -8.783 95 HH11 ARG 11 1HH1 ARG 11 0.384 5.911 -8.687 96 HH12 ARG 11 2HH1 ARG 11 1.524 5.842 -9.999 97 HH21 ARG 11 1HH2 ARG 11 1.253 2.371 -10.456 98 HH22 ARG 11 2HH2 ARG 11 2.014 3.829 -11.013 99 H ILE 12 H ILE 12 -4.249 0.754 -7.421 100 HA ILE 12 HA ILE 12 -1.634 -0.466 -7.026 101 HB ILE 12 HB ILE 12 -2.649 -1.688 -5.180 102 HG12 ILE 12 1HG1 ILE 12 -5.188 -0.184 -5.864 103 HG13 ILE 12 2HG1 ILE 12 -4.935 -1.905 -6.136 104 HG21 ILE 12 1HG2 ILE 12 -3.235 1.262 -5.211 105 HG22 ILE 12 2HG2 ILE 12 -1.698 0.498 -4.794 106 HG23 ILE 12 3HG2 ILE 12 -3.114 0.264 -3.763 107 HD11 ILE 12 1HD1 ILE 12 -6.230 -1.499 -4.121 108 HD12 ILE 12 2HD1 ILE 12 -4.913 -0.527 -3.463 109 HD13 ILE 12 3HD1 ILE 12 -4.680 -2.254 -3.740 110 H GLY 13 H GLY 13 -4.463 -1.036 -8.826 111 HA2 GLY 13 1HA GLY 13 -4.495 -2.604 -10.585 112 HA3 GLY 13 2HA GLY 13 -3.274 -3.541 -9.741 113 H LEU 14 H LEU 14 -6.091 -2.378 -8.091 114 HA LEU 14 HA LEU 14 -7.196 -5.104 -8.121 115 HB2 LEU 14 1HB LEU 14 -6.945 -3.138 -5.878 116 HB3 LEU 14 2HB LEU 14 -8.245 -4.310 -5.870 117 HG LEU 14 HG LEU 14 -6.505 -5.187 -4.527 118 HD11 LEU 14 1HD1 LEU 14 -6.357 -6.545 -7.201 119 HD12 LEU 14 2HD1 LEU 14 -7.619 -6.784 -5.993 120 HD13 LEU 14 3HD1 LEU 14 -5.956 -7.254 -5.637 121 HD21 LEU 14 1HD2 LEU 14 -4.641 -4.667 -6.825 122 HD22 LEU 14 2HD2 LEU 14 -4.235 -5.574 -5.367 123 HD23 LEU 14 3HD2 LEU 14 -4.643 -3.862 -5.255 124 H GLU 15 H GLU 15 -7.727 -2.946 -9.935 125 HA GLU 15 HA GLU 15 -10.095 -1.569 -9.383 126 HB2 GLU 15 1HB GLU 15 -10.287 -1.283 -11.804 127 HB3 GLU 15 2HB GLU 15 -8.641 -1.009 -11.256 128 HG2 GLU 15 1HG GLU 15 -7.999 -3.220 -12.023 129 HG3 GLU 15 2HG GLU 15 -9.653 -3.532 -12.543 130 H GLU 16 H GLU 16 -9.519 -4.855 -10.091 131 HA GLU 16 HA GLU 16 -11.994 -5.711 -11.055 132 HB2 GLU 16 1HB GLU 16 -11.354 -7.909 -10.113 133 HB3 GLU 16 2HB GLU 16 -10.047 -7.162 -11.021 134 HG2 GLU 16 1HG GLU 16 -9.004 -6.434 -8.945 135 HG3 GLU 16 2HG GLU 16 -10.327 -7.143 -8.026 136 H HIS 17 H HIS 17 -11.128 -4.455 -7.996 137 HA HIS 17 HA HIS 17 -13.597 -5.536 -6.814 138 HB2 HIS 17 1HB HIS 17 -10.920 -5.039 -5.538 139 HB3 HIS 17 2HB HIS 17 -12.390 -5.235 -4.592 140 HD1 HIS 17 HD1 HIS 17 -13.766 -7.577 -5.567 141 HD2 HIS 17 HD2 HIS 17 -9.613 -7.380 -5.671 142 HE1 HIS 17 HE1 HIS 17 -12.979 -9.954 -5.755 143 HE2 HIS 17 HE2 HIS 17 -10.502 -9.772 -6.112 144 H THR 18 H THR 18 -12.565 -2.820 -8.132 145 HA THR 18 HA THR 18 -12.887 -0.797 -6.265 146 HB THR 18 HB THR 18 -13.929 -0.696 -9.091 147 HG1 THR 18 HG1 THR 18 -11.912 -0.509 -9.756 148 HG21 THR 18 1HG2 THR 18 -12.949 1.433 -7.195 149 HG22 THR 18 2HG2 THR 18 -14.612 1.188 -7.733 150 HG23 THR 18 3HG2 THR 18 -13.377 1.704 -8.886 151 H SER 19 H SER 19 -15.367 -2.407 -8.229 152 HA SER 19 HA SER 19 -17.562 -1.029 -7.130 153 HB2 SER 19 1HB SER 19 -17.616 -2.318 -9.260 154 HB3 SER 19 2HB SER 19 -17.534 -3.807 -8.323 155 HG SER 19 HG SER 19 -19.651 -3.572 -8.520 156 H THR 20 H THR 20 -15.879 -3.981 -6.199 157 HA THR 20 HA THR 20 -17.595 -4.962 -4.250 158 HB THR 20 HB THR 20 -14.577 -4.943 -4.079 159 HG1 THR 20 HG1 THR 20 -16.343 -6.341 -5.740 160 HG21 THR 20 1HG2 THR 20 -15.689 -5.705 -2.049 161 HG22 THR 20 2HG2 THR 20 -14.893 -7.055 -2.865 162 HG23 THR 20 3HG2 THR 20 -16.642 -6.856 -2.989 163 H LEU 21 H LEU 21 -14.923 -2.643 -3.915 164 HA LEU 21 HA LEU 21 -15.357 -2.072 -1.192 165 HB2 LEU 21 1HB LEU 21 -13.936 -0.683 -3.427 166 HB3 LEU 21 2HB LEU 21 -14.165 0.154 -1.913 167 HG LEU 21 HG LEU 21 -12.037 -0.728 -1.702 168 HD11 LEU 21 1HD1 LEU 21 -13.462 -1.322 0.212 169 HD12 LEU 21 2HD1 LEU 21 -12.119 -2.439 -0.029 170 HD13 LEU 21 3HD1 LEU 21 -13.746 -2.901 -0.525 171 HD21 LEU 21 1HD2 LEU 21 -11.368 -2.972 -2.346 172 HD22 LEU 21 2HD2 LEU 21 -12.047 -2.090 -3.715 173 HD23 LEU 21 3HD2 LEU 21 -13.011 -3.314 -2.889 174 H LEU 22 H LEU 22 -16.351 -0.352 -4.133 175 HA LEU 22 HA LEU 22 -17.693 1.773 -2.975 176 HB2 LEU 22 1HB LEU 22 -17.729 0.406 -5.577 177 HB3 LEU 22 2HB LEU 22 -19.179 1.315 -5.206 178 HG LEU 22 HG LEU 22 -17.938 3.362 -5.021 179 HD11 LEU 22 1HD1 LEU 22 -15.934 2.491 -3.943 180 HD12 LEU 22 2HD1 LEU 22 -15.528 3.467 -5.355 181 HD13 LEU 22 3HD1 LEU 22 -15.458 1.707 -5.450 182 HD21 LEU 22 1HD2 LEU 22 -18.570 2.707 -7.259 183 HD22 LEU 22 2HD2 LEU 22 -17.086 1.771 -7.430 184 HD23 LEU 22 3HD2 LEU 22 -17.009 3.527 -7.291 185 H LEU 23 H LEU 23 -18.968 -1.430 -3.803 186 HA LEU 23 HA LEU 23 -21.657 -0.862 -3.135 187 HB2 LEU 23 1HB LEU 23 -20.185 -3.487 -3.265 188 HB3 LEU 23 2HB LEU 23 -21.921 -3.331 -3.113 189 HG LEU 23 HG LEU 23 -20.257 -2.419 -5.459 190 HD11 LEU 23 1HD1 LEU 23 -22.230 -4.680 -5.189 191 HD12 LEU 23 2HD1 LEU 23 -20.477 -4.840 -5.307 192 HD13 LEU 23 3HD1 LEU 23 -21.399 -4.198 -6.667 193 HD21 LEU 23 1HD2 LEU 23 -23.238 -2.316 -5.010 194 HD22 LEU 23 2HD2 LEU 23 -22.424 -1.974 -6.537 195 HD23 LEU 23 3HD2 LEU 23 -22.144 -0.938 -5.138 196 H ASN 24 H ASN 24 -18.899 -1.710 -1.250 197 HA ASN 24 HA ASN 24 -20.596 -2.381 1.034 198 HB2 ASN 24 1HB ASN 24 -17.742 -2.947 0.357 199 HB3 ASN 24 2HB ASN 24 -18.271 -3.003 2.034 200 HD21 ASN 24 1HD2 ASN 24 -18.479 -4.472 -1.093 201 HD22 ASN 24 2HD2 ASN 24 -19.289 -5.919 -0.589 202 H GLY 25 H GLY 25 -19.544 0.334 -0.214 203 HA2 GLY 25 1HA GLY 25 -20.114 2.320 0.988 204 HA3 GLY 25 2HA GLY 25 -19.554 1.550 2.460 205 H TYR 26 H TYR 26 -17.248 0.687 0.454 206 HA TYR 26 HA TYR 26 -15.487 2.797 1.363 207 HB2 TYR 26 1HB TYR 26 -14.963 0.297 -0.245 208 HB3 TYR 26 2HB TYR 26 -13.715 1.384 0.351 209 HD1 TYR 26 HD1 TYR 26 -15.843 -1.404 1.096 210 HD2 TYR 26 HD2 TYR 26 -13.455 1.645 2.849 211 HE1 TYR 26 HE1 TYR 26 -15.764 -2.682 3.193 212 HE2 TYR 26 HE2 TYR 26 -13.364 0.377 4.949 213 HH TYR 26 HH TYR 26 -14.835 -1.380 6.097 214 H GLN 27 H GLN 27 -16.538 4.447 0.087 215 HA GLN 27 HA GLN 27 -15.962 4.292 -2.789 216 HB2 GLN 27 1HB GLN 27 -17.930 6.036 -1.307 217 HB3 GLN 27 2HB GLN 27 -17.693 6.014 -3.049 218 HG2 GLN 27 1HG GLN 27 -18.414 3.698 -3.132 219 HG3 GLN 27 2HG GLN 27 -18.613 3.689 -1.385 220 HE21 GLN 27 1HE2 GLN 27 -20.776 3.124 -1.597 221 HE22 GLN 27 2HE2 GLN 27 -21.973 4.270 -2.084 222 H THR 28 H THR 28 -14.742 5.493 -0.026 223 HA THR 28 HA THR 28 -13.417 7.683 -1.452 224 HB THR 28 HB THR 28 -13.404 8.985 0.680 225 HG1 THR 28 HG1 THR 28 -15.565 7.439 1.595 226 HG21 THR 28 1HG2 THR 28 -15.745 9.746 0.520 227 HG22 THR 28 2HG2 THR 28 -16.118 8.331 -0.467 228 HG23 THR 28 3HG2 THR 28 -14.993 9.552 -1.064 229 H LEU 29 H LEU 29 -11.335 8.220 -0.595 230 HA LEU 29 HA LEU 29 -9.804 5.951 0.152 231 HB2 LEU 29 1HB LEU 29 -9.047 8.874 0.240 232 HB3 LEU 29 2HB LEU 29 -7.935 7.516 0.244 233 HG LEU 29 HG LEU 29 -9.779 8.261 -2.029 234 HD11 LEU 29 1HD1 LEU 29 -7.752 8.908 -3.205 235 HD12 LEU 29 2HD1 LEU 29 -6.790 8.535 -1.773 236 HD13 LEU 29 3HD1 LEU 29 -7.955 9.859 -1.731 237 HD21 LEU 29 1HD2 LEU 29 -8.579 6.565 -3.290 238 HD22 LEU 29 2HD2 LEU 29 -9.377 5.860 -1.885 239 HD23 LEU 29 3HD2 LEU 29 -7.638 6.150 -1.857 240 H GLU 30 H GLU 30 -11.395 8.496 1.855 241 HA GLU 30 HA GLU 30 -10.100 8.110 4.362 242 HB2 GLU 30 1HB GLU 30 -12.716 9.429 3.651 243 HB3 GLU 30 2HB GLU 30 -12.018 9.430 5.266 244 HG2 GLU 30 1HG GLU 30 -10.002 10.543 4.310 245 HG3 GLU 30 2HG GLU 30 -10.874 10.683 2.787 246 H ASP 31 H ASP 31 -12.738 6.565 2.715 247 HA ASP 31 HA ASP 31 -13.546 5.160 5.130 248 HB2 ASP 31 1HB ASP 31 -15.096 5.907 3.155 249 HB3 ASP 31 2HB ASP 31 -14.512 4.438 2.382 250 H PHE 32 H PHE 32 -11.766 4.639 2.165 251 HA PHE 32 HA PHE 32 -11.443 1.845 2.414 252 HB2 PHE 32 1HB PHE 32 -11.097 3.158 0.315 253 HB3 PHE 32 2HB PHE 32 -9.598 3.774 1.000 254 HD1 PHE 32 HD1 PHE 32 -7.693 2.277 1.347 255 HD2 PHE 32 HD2 PHE 32 -11.248 0.920 -0.543 256 HE1 PHE 32 HE1 PHE 32 -6.481 0.327 0.483 257 HE2 PHE 32 HE2 PHE 32 -10.039 -1.043 -1.410 258 HZ PHE 32 HZ PHE 32 -7.651 -1.337 -0.896 259 H LYS 33 H LYS 33 -9.742 4.538 3.873 260 HA LYS 33 HA LYS 33 -7.482 3.031 4.700 261 HB2 LYS 33 1HB LYS 33 -7.103 4.859 6.328 262 HB3 LYS 33 2HB LYS 33 -7.343 5.433 4.685 263 HG2 LYS 33 1HG LYS 33 -9.548 6.156 5.174 264 HG3 LYS 33 2HG LYS 33 -9.524 5.358 6.745 265 HD2 LYS 33 1HD LYS 33 -9.210 7.746 7.014 266 HD3 LYS 33 2HD LYS 33 -7.749 6.883 7.482 267 HE2 LYS 33 1HE LYS 33 -6.817 7.383 5.220 268 HE3 LYS 33 2HE LYS 33 -8.237 8.376 4.911 269 HZ1 LYS 33 1HZ LYS 33 -7.638 9.848 6.650 270 HZ2 LYS 33 2HZ LYS 33 -6.239 9.617 5.722 271 HZ3 LYS 33 3HZ LYS 33 -6.415 8.822 7.205 272 H GLU 34 H GLU 34 -10.657 2.754 5.518 273 HA GLU 34 HA GLU 34 -10.123 1.633 8.177 274 HB2 GLU 34 1HB GLU 34 -12.703 2.238 6.730 275 HB3 GLU 34 2HB GLU 34 -12.605 1.530 8.335 276 HG2 GLU 34 1HG GLU 34 -11.255 4.124 7.787 277 HG3 GLU 34 2HG GLU 34 -12.999 4.082 8.027 278 H LEU 35 H LEU 35 -9.989 0.720 5.086 279 HA LEU 35 HA LEU 35 -11.476 -1.704 5.053 280 HB2 LEU 35 1HB LEU 35 -10.859 -0.420 3.042 281 HB3 LEU 35 2HB LEU 35 -9.172 -0.759 3.343 282 HG LEU 35 HG LEU 35 -10.349 -2.082 1.520 283 HD11 LEU 35 1HD1 LEU 35 -9.063 -4.069 1.979 284 HD12 LEU 35 2HD1 LEU 35 -8.942 -3.633 3.684 285 HD13 LEU 35 3HD1 LEU 35 -8.145 -2.641 2.460 286 HD21 LEU 35 1HD2 LEU 35 -12.388 -2.564 2.785 287 HD22 LEU 35 2HD2 LEU 35 -11.450 -3.551 3.908 288 HD23 LEU 35 3HD2 LEU 35 -11.600 -4.036 2.220 289 H ARG 36 H ARG 36 -10.896 -3.694 5.681 290 HA ARG 36 HA ARG 36 -8.161 -4.104 6.629 291 HB2 ARG 36 1HB ARG 36 -10.686 -4.762 8.146 292 HB3 ARG 36 2HB ARG 36 -9.079 -5.288 8.620 293 HG2 ARG 36 1HG ARG 36 -10.055 -2.443 8.450 294 HG3 ARG 36 2HG ARG 36 -9.732 -3.365 9.921 295 HD2 ARG 36 1HD ARG 36 -7.384 -3.523 9.333 296 HD3 ARG 36 2HD ARG 36 -7.689 -2.680 7.818 297 HE ARG 36 HE ARG 36 -8.422 -1.215 10.197 298 HH11 ARG 36 1HH1 ARG 36 -5.999 -1.892 7.792 299 HH12 ARG 36 2HH1 ARG 36 -5.045 -0.482 8.131 300 HH21 ARG 36 1HH2 ARG 36 -7.226 0.700 10.629 301 HH22 ARG 36 2HH2 ARG 36 -5.777 1.016 9.731 302 H GLU 37 H GLU 37 -7.738 -6.469 7.101 303 HA GLU 37 HA GLU 37 -8.371 -7.945 4.762 304 HB2 GLU 37 1HB GLU 37 -6.241 -8.218 5.939 305 HB3 GLU 37 2HB GLU 37 -7.090 -8.842 7.346 306 HG2 GLU 37 1HG GLU 37 -7.818 -10.772 6.090 307 HG3 GLU 37 2HG GLU 37 -7.055 -10.134 4.633 308 H THR 38 H THR 38 -9.471 -8.019 8.096 309 HA THR 38 HA THR 38 -11.193 -10.214 7.940 310 HB THR 38 HB THR 38 -11.693 -7.692 9.521 311 HG1 THR 38 HG1 THR 38 -9.888 -9.837 9.938 312 HG21 THR 38 1HG2 THR 38 -13.521 -9.327 9.521 313 HG22 THR 38 2HG2 THR 38 -12.769 -9.194 11.112 314 HG23 THR 38 3HG2 THR 38 -12.399 -10.570 10.074 315 H HIS 39 H HIS 39 -11.469 -6.935 6.820 316 HA HIS 39 HA HIS 39 -14.281 -7.064 6.267 317 HB2 HIS 39 1HB HIS 39 -12.160 -5.100 5.378 318 HB3 HIS 39 2HB HIS 39 -13.877 -4.927 5.029 319 HD1 HIS 39 HD1 HIS 39 -12.625 -2.689 6.587 320 HD2 HIS 39 HD2 HIS 39 -14.244 -6.049 8.412 321 HE1 HIS 39 HE1 HIS 39 -13.079 -2.011 8.953 322 HE2 HIS 39 HE2 HIS 39 -14.272 -3.979 9.967 323 H LEU 40 H LEU 40 -11.299 -7.681 4.546 324 HA LEU 40 HA LEU 40 -12.458 -7.990 1.976 325 HB2 LEU 40 1HB LEU 40 -9.871 -8.609 3.236 326 HB3 LEU 40 2HB LEU 40 -10.302 -9.618 1.867 327 HG LEU 40 HG LEU 40 -10.507 -7.671 0.445 328 HD11 LEU 40 1HD1 LEU 40 -11.331 -6.177 2.264 329 HD12 LEU 40 2HD1 LEU 40 -10.142 -5.464 1.176 330 HD13 LEU 40 3HD1 LEU 40 -9.654 -6.006 2.784 331 HD21 LEU 40 1HD2 LEU 40 -8.176 -6.881 0.513 332 HD22 LEU 40 2HD2 LEU 40 -8.320 -8.635 0.611 333 HD23 LEU 40 3HD2 LEU 40 -7.976 -7.696 2.064 334 H ASN 41 H ASN 41 -11.988 -10.146 4.700 335 HA ASN 41 HA ASN 41 -12.843 -12.530 3.505 336 HB2 ASN 41 1HB ASN 41 -13.261 -11.526 6.327 337 HB3 ASN 41 2HB ASN 41 -13.624 -13.166 5.808 338 HD21 ASN 41 1HD2 ASN 41 -11.804 -12.380 7.843 339 HD22 ASN 41 2HD2 ASN 41 -10.224 -12.891 7.363 340 H GLU 42 H GLU 42 -14.563 -9.741 4.665 341 HA GLU 42 HA GLU 42 -17.188 -10.835 4.314 342 HB2 GLU 42 1HB GLU 42 -16.244 -7.982 4.602 343 HB3 GLU 42 2HB GLU 42 -17.916 -8.510 4.693 344 HG2 GLU 42 1HG GLU 42 -15.734 -9.383 6.566 345 HG3 GLU 42 2HG GLU 42 -16.896 -8.100 6.893 346 H LEU 43 H LEU 43 -14.967 -8.846 2.477 347 HA LEU 43 HA LEU 43 -16.814 -8.243 0.371 348 HB2 LEU 43 1HB LEU 43 -13.812 -8.024 0.374 349 HB3 LEU 43 2HB LEU 43 -14.917 -7.220 -0.720 350 HG LEU 43 HG LEU 43 -14.692 -6.700 2.240 351 HD11 LEU 43 1HD1 LEU 43 -12.779 -5.893 0.964 352 HD12 LEU 43 2HD1 LEU 43 -13.761 -4.566 1.589 353 HD13 LEU 43 3HD1 LEU 43 -13.869 -5.020 -0.114 354 HD21 LEU 43 1HD2 LEU 43 -16.955 -6.372 1.441 355 HD22 LEU 43 2HD2 LEU 43 -16.359 -5.354 0.129 356 HD23 LEU 43 3HD2 LEU 43 -16.190 -4.825 1.803 357 H ASN 44 H ASN 44 -15.248 -11.005 1.195 358 HA ASN 44 HA ASN 44 -14.951 -13.018 0.198 359 HB2 ASN 44 1HB ASN 44 -17.156 -12.299 -0.938 360 HB3 ASN 44 2HB ASN 44 -16.157 -11.934 -2.336 361 HD21 ASN 44 1HD2 ASN 44 -15.258 -13.614 -3.518 362 HD22 ASN 44 2HD2 ASN 44 -15.727 -15.263 -3.295 363 H ILE 45 H ILE 45 -13.043 -10.825 0.037 364 HA ILE 45 HA ILE 45 -11.599 -11.474 -2.433 365 HB ILE 45 HB ILE 45 -10.943 -9.343 -0.398 366 HG12 ILE 45 1HG1 ILE 45 -12.298 -9.044 -3.086 367 HG13 ILE 45 2HG1 ILE 45 -13.136 -8.995 -1.540 368 HG21 ILE 45 1HG2 ILE 45 -9.021 -10.080 -1.702 369 HG22 ILE 45 2HG2 ILE 45 -9.497 -8.448 -2.172 370 HG23 ILE 45 3HG2 ILE 45 -9.920 -9.819 -3.197 371 HD11 ILE 45 1HD1 ILE 45 -11.942 -6.999 -0.915 372 HD12 ILE 45 2HD1 ILE 45 -12.717 -6.769 -2.483 373 HD13 ILE 45 3HD1 ILE 45 -10.983 -7.079 -2.392 374 H MET 46 H MET 46 -11.120 -13.587 -1.642 375 HA MET 46 HA MET 46 -9.562 -13.836 0.785 376 HB2 MET 46 1HB MET 46 -10.452 -15.912 -1.218 377 HB3 MET 46 2HB MET 46 -9.681 -16.254 0.326 378 HG2 MET 46 1HG MET 46 -12.336 -14.894 -0.064 379 HG3 MET 46 2HG MET 46 -12.088 -16.564 0.438 380 HE1 MET 46 1HE MET 46 -13.909 -14.475 2.049 381 HE2 MET 46 2HE MET 46 -13.440 -14.880 3.700 382 HE3 MET 46 3HE MET 46 -13.672 -16.160 2.510 383 H ASP 47 H ASP 47 -8.943 -13.184 -2.410 384 HA ASP 47 HA ASP 47 -6.598 -14.610 -2.977 385 HB2 ASP 47 1HB ASP 47 -7.594 -11.918 -3.890 386 HB3 ASP 47 2HB ASP 47 -6.125 -12.647 -4.521 387 HA PRO 48 HA PRO 48 -4.267 -13.043 0.450 388 HB2 PRO 48 1HB PRO 48 -2.045 -14.331 -1.031 389 HB3 PRO 48 2HB PRO 48 -2.565 -14.549 0.639 390 HG2 PRO 48 1HG PRO 48 -3.091 -16.397 -1.187 391 HG3 PRO 48 2HG PRO 48 -4.278 -15.984 0.063 392 HD2 PRO 48 1HD PRO 48 -4.209 -15.199 -2.815 393 HD3 PRO 48 2HD PRO 48 -5.591 -15.649 -1.797 394 H GLN 49 H GLN 49 -2.727 -12.815 -2.777 395 HA GLN 49 HA GLN 49 -1.049 -10.655 -1.998 396 HB2 GLN 49 1HB GLN 49 -1.840 -11.758 -4.680 397 HB3 GLN 49 2HB GLN 49 -0.820 -10.338 -4.526 398 HG2 GLN 49 1HG GLN 49 0.858 -11.584 -3.374 399 HG3 GLN 49 2HG GLN 49 -0.184 -13.001 -3.287 400 HE21 GLN 49 1HE2 GLN 49 1.845 -11.053 -5.314 401 HE22 GLN 49 2HE2 GLN 49 1.936 -12.168 -6.632 402 H HIS 50 H HIS 50 -4.208 -10.901 -3.481 403 HA HIS 50 HA HIS 50 -4.469 -8.147 -4.136 404 HB2 HIS 50 1HB HIS 50 -6.590 -10.238 -3.604 405 HB3 HIS 50 2HB HIS 50 -6.909 -8.643 -4.269 406 HD1 HIS 50 HD1 HIS 50 -7.873 -9.860 -6.427 407 HD2 HIS 50 HD2 HIS 50 -3.820 -10.441 -5.717 408 HE1 HIS 50 HE1 HIS 50 -6.951 -10.835 -8.538 409 HE2 HIS 50 HE2 HIS 50 -4.480 -11.067 -8.137 410 H ARG 51 H ARG 51 -5.372 -10.117 -1.379 411 HA ARG 51 HA ARG 51 -6.437 -8.179 0.305 412 HB2 ARG 51 1HB ARG 51 -4.814 -10.660 0.829 413 HB3 ARG 51 2HB ARG 51 -5.418 -9.659 2.141 414 HG2 ARG 51 1HG ARG 51 -7.605 -10.231 1.750 415 HG3 ARG 51 2HG ARG 51 -7.309 -10.629 0.058 416 HD2 ARG 51 1HD ARG 51 -7.755 -12.583 1.577 417 HD3 ARG 51 2HD ARG 51 -6.285 -12.678 0.618 418 HE ARG 51 HE ARG 51 -5.858 -11.588 3.242 419 HH11 ARG 51 1HH1 ARG 51 -6.185 -14.547 1.396 420 HH12 ARG 51 2HH1 ARG 51 -5.237 -15.490 2.504 421 HH21 ARG 51 1HH2 ARG 51 -4.614 -12.805 4.691 422 HH22 ARG 51 2HH2 ARG 51 -4.346 -14.499 4.397 423 H ALA 52 H ALA 52 -3.096 -9.293 0.032 424 HA ALA 52 HA ALA 52 -1.902 -7.651 1.883 425 HB1 ALA 52 1HB ALA 52 -0.768 -9.504 0.830 426 HB2 ALA 52 2HB ALA 52 0.166 -8.029 0.594 427 HB3 ALA 52 3HB ALA 52 -0.804 -8.679 -0.726 428 H LYS 53 H LYS 53 -2.542 -6.979 -1.553 429 HA LYS 53 HA LYS 53 -1.305 -4.431 -1.553 430 HB2 LYS 53 1HB LYS 53 -3.494 -5.412 -3.387 431 HB3 LYS 53 2HB LYS 53 -2.411 -4.059 -3.683 432 HG2 LYS 53 1HG LYS 53 -0.537 -5.817 -3.428 433 HG3 LYS 53 2HG LYS 53 -1.827 -6.987 -3.714 434 HD2 LYS 53 1HD LYS 53 -1.044 -6.642 -5.850 435 HD3 LYS 53 2HD LYS 53 -2.345 -5.454 -5.771 436 HE2 LYS 53 1HE LYS 53 -0.773 -3.692 -5.286 437 HE3 LYS 53 2HE LYS 53 0.550 -4.858 -5.197 438 HZ1 LYS 53 1HZ LYS 53 -1.026 -4.135 -7.608 439 HZ2 LYS 53 2HZ LYS 53 0.120 -5.379 -7.558 440 HZ3 LYS 53 3HZ LYS 53 0.602 -3.779 -7.313 441 H LEU 54 H LEU 54 -4.739 -5.362 -1.382 442 HA LEU 54 HA LEU 54 -5.813 -2.808 -1.177 443 HB2 LEU 54 1HB LEU 54 -6.768 -5.433 -0.060 444 HB3 LEU 54 2HB LEU 54 -7.723 -3.966 -0.014 445 HG LEU 54 HG LEU 54 -6.698 -5.190 -2.567 446 HD11 LEU 54 1HD1 LEU 54 -8.171 -6.782 -1.525 447 HD12 LEU 54 2HD1 LEU 54 -9.003 -6.008 -2.876 448 HD13 LEU 54 3HD1 LEU 54 -9.368 -5.523 -1.219 449 HD21 LEU 54 1HD2 LEU 54 -8.440 -3.781 -3.579 450 HD22 LEU 54 2HD2 LEU 54 -7.217 -2.835 -2.733 451 HD23 LEU 54 3HD2 LEU 54 -8.794 -3.104 -1.989 452 H LEU 55 H LEU 55 -4.664 -4.971 1.380 453 HA LEU 55 HA LEU 55 -5.403 -3.309 3.529 454 HB2 LEU 55 1HB LEU 55 -3.576 -5.619 3.179 455 HB3 LEU 55 2HB LEU 55 -3.352 -4.624 4.604 456 HG LEU 55 HG LEU 55 -4.749 -6.478 5.182 457 HD11 LEU 55 1HD1 LEU 55 -6.499 -4.052 4.893 458 HD12 LEU 55 2HD1 LEU 55 -5.253 -4.246 6.126 459 HD13 LEU 55 3HD1 LEU 55 -6.636 -5.341 6.088 460 HD21 LEU 55 1HD2 LEU 55 -6.581 -5.605 2.955 461 HD22 LEU 55 2HD2 LEU 55 -6.892 -6.902 4.107 462 HD23 LEU 55 3HD2 LEU 55 -5.566 -7.049 2.952 463 H THR 56 H THR 56 -2.391 -3.572 1.683 464 HA THR 56 HA THR 56 -0.915 -1.745 3.252 465 HB THR 56 HB THR 56 -0.569 -2.376 0.321 466 HG1 THR 56 HG1 THR 56 -0.397 -4.282 1.397 467 HG21 THR 56 1HG2 THR 56 1.756 -1.735 0.684 468 HG22 THR 56 2HG2 THR 56 1.396 -1.350 2.366 469 HG23 THR 56 3HG2 THR 56 0.678 -0.392 1.071 470 H ALA 57 H ALA 57 -2.966 -1.371 0.410 471 HA ALA 57 HA ALA 57 -2.537 1.355 -0.022 472 HB1 ALA 57 1HB ALA 57 -3.659 0.039 -1.675 473 HB2 ALA 57 2HB ALA 57 -4.760 1.305 -1.134 474 HB3 ALA 57 3HB ALA 57 -4.962 -0.349 -0.552 475 H ALA 58 H ALA 58 -4.906 -0.342 2.000 476 HA ALA 58 HA ALA 58 -6.184 1.938 3.027 477 HB1 ALA 58 1HB ALA 58 -7.017 0.482 4.775 478 HB2 ALA 58 2HB ALA 58 -5.801 -0.733 4.371 479 HB3 ALA 58 3HB ALA 58 -7.077 -0.342 3.216 480 H GLU 59 H GLU 59 -3.405 0.088 4.180 481 HA GLU 59 HA GLU 59 -2.931 1.409 6.582 482 HB2 GLU 59 1HB GLU 59 -1.017 0.113 4.644 483 HB3 GLU 59 2HB GLU 59 -0.548 0.671 6.241 484 HG2 GLU 59 1HG GLU 59 -2.646 -1.405 5.686 485 HG3 GLU 59 2HG GLU 59 -0.980 -1.740 6.145 486 H LEU 60 H LEU 60 -1.520 2.062 3.369 487 HA LEU 60 HA LEU 60 -0.104 4.334 4.286 488 HB2 LEU 60 1HB LEU 60 -0.596 3.068 1.677 489 HB3 LEU 60 2HB LEU 60 -0.258 4.788 1.631 490 HG LEU 60 HG LEU 60 1.842 4.390 2.862 491 HD11 LEU 60 1HD1 LEU 60 2.683 2.104 3.080 492 HD12 LEU 60 2HD1 LEU 60 1.120 1.488 2.539 493 HD13 LEU 60 3HD1 LEU 60 1.240 2.382 4.056 494 HD21 LEU 60 1HD2 LEU 60 2.003 4.554 0.514 495 HD22 LEU 60 2HD2 LEU 60 1.403 2.913 0.293 496 HD23 LEU 60 3HD2 LEU 60 2.999 3.179 0.998 497 H LEU 61 H LEU 61 -3.228 4.007 2.580 498 HA LEU 61 HA LEU 61 -3.671 6.757 2.238 499 HB2 LEU 61 1HB LEU 61 -5.609 4.485 2.604 500 HB3 LEU 61 2HB LEU 61 -6.116 6.122 2.241 501 HG LEU 61 HG LEU 61 -4.376 4.394 0.488 502 HD11 LEU 61 1HD1 LEU 61 -6.662 3.621 0.568 503 HD12 LEU 61 2HD1 LEU 61 -6.327 4.374 -0.986 504 HD13 LEU 61 3HD1 LEU 61 -7.250 5.247 0.234 505 HD21 LEU 61 1HD2 LEU 61 -3.807 6.737 0.237 506 HD22 LEU 61 2HD2 LEU 61 -5.511 7.151 0.045 507 HD23 LEU 61 3HD2 LEU 61 -4.697 6.175 -1.178 508 H LEU 62 H LEU 62 -3.968 4.721 5.012 509 HA LEU 62 HA LEU 62 -5.587 6.324 6.642 510 HB2 LEU 62 1HB LEU 62 -5.040 4.006 7.139 511 HB3 LEU 62 2HB LEU 62 -3.355 4.429 7.350 512 HG LEU 62 HG LEU 62 -3.902 5.726 9.342 513 HD11 LEU 62 1HD1 LEU 62 -6.733 4.844 8.800 514 HD12 LEU 62 2HD1 LEU 62 -6.116 6.495 8.746 515 HD13 LEU 62 3HD1 LEU 62 -6.178 5.626 10.280 516 HD21 LEU 62 1HD2 LEU 62 -3.376 3.356 9.568 517 HD22 LEU 62 2HD2 LEU 62 -5.079 2.949 9.361 518 HD23 LEU 62 3HD2 LEU 62 -4.557 3.857 10.779 519 H ASP 63 H ASP 63 -2.153 6.391 5.948 520 HA ASP 63 HA ASP 63 -1.814 8.637 7.814 521 HB2 ASP 63 1HB ASP 63 0.147 6.687 6.622 522 HB3 ASP 63 2HB ASP 63 0.655 8.139 7.472 523 H TYR 64 H TYR 64 -1.756 7.810 4.473 524 HA TYR 64 HA TYR 64 -0.312 10.288 3.799 525 HB2 TYR 64 1HB TYR 64 -0.469 7.668 2.312 526 HB3 TYR 64 2HB TYR 64 0.311 9.115 1.690 527 HD1 TYR 64 HD1 TYR 64 2.401 9.908 2.671 528 HD2 TYR 64 HD2 TYR 64 0.572 6.312 3.982 529 HE1 TYR 64 HE1 TYR 64 4.503 9.247 3.745 530 HE2 TYR 64 HE2 TYR 64 2.662 5.630 5.059 531 HH TYR 64 HH TYR 64 5.278 7.774 5.521 532 H ASP 65 H ASP 65 -3.185 10.274 4.167 533 HA ASP 65 HA ASP 65 -4.347 10.132 1.536 534 HB2 ASP 65 1HB ASP 65 -6.397 11.012 2.609 535 HB3 ASP 65 2HB ASP 65 -5.760 9.586 3.415 536 H THR 66 H THR 66 -2.273 11.704 1.259 537 HA THR 66 HA THR 66 -1.457 13.700 0.603 538 HB THR 66 HB THR 66 -3.099 15.147 -0.714 539 HG1 THR 66 HG1 THR 66 -4.862 13.595 0.498 540 HG21 THR 66 1HG2 THR 66 -2.793 12.250 -1.487 541 HG22 THR 66 2HG2 THR 66 -1.589 13.512 -1.735 542 HG23 THR 66 3HG2 THR 66 -3.133 13.586 -2.584 543 H GLY 67 H GLY 67 -2.189 13.688 3.342 544 HA2 GLY 67 1HA GLY 67 -3.520 16.227 3.848 545 HA3 GLY 67 2HA GLY 67 -2.995 15.065 5.057 546 H CYS 68 H CYS 68 -0.981 16.343 2.498 547 HA CYS 68 HA CYS 68 0.914 17.580 2.466 548 HB2 CYS 68 1HB CYS 68 -0.375 18.825 4.886 549 HB3 CYS 68 2HB CYS 68 1.095 19.437 4.139 550 H GLU 69 H GLU 69 2.877 18.273 3.884 551 HA GLU 69 HA GLU 69 3.694 15.880 5.330 552 HB2 GLU 69 1HB GLU 69 5.297 18.282 4.428 553 HB3 GLU 69 2HB GLU 69 5.964 16.842 5.184 554 HG2 GLU 69 1HG GLU 69 5.156 15.505 3.288 555 HG3 GLU 69 2HG GLU 69 4.570 16.981 2.524 556 H1 GLY 1 1H GLY 1 2.099 8.799 12.020 557 H2 GLY 1 2H GLY 1 2.030 7.283 11.278 558 H3 GLY 1 3H GLY 1 0.674 8.295 11.259 559 HA2 GLY 1 2HA GLY 1 1.686 8.379 9.120 560 HA3 GLY 1 1HA GLY 1 1.913 9.919 9.930 561 HA PRO 2 HA PRO 2 6.113 7.429 9.659 562 HB2 PRO 2 1HB PRO 2 5.828 6.368 6.944 563 HB3 PRO 2 2HB PRO 2 6.364 5.552 8.413 564 HG2 PRO 2 1HG PRO 2 3.995 5.007 7.276 565 HG3 PRO 2 2HG PRO 2 4.225 4.971 9.034 566 HD2 PRO 2 1HD PRO 2 2.997 7.105 7.328 567 HD3 PRO 2 2HD PRO 2 2.455 6.468 8.896 568 H LYS 3 H LYS 3 7.473 9.037 9.328 569 HA LYS 3 HA LYS 3 7.334 10.556 6.828 570 HB2 LYS 3 1HB LYS 3 8.899 11.099 9.352 571 HB3 LYS 3 2HB LYS 3 8.814 12.156 7.954 572 HG2 LYS 3 1HG LYS 3 6.483 11.377 9.689 573 HG3 LYS 3 2HG LYS 3 7.366 12.898 9.790 574 HD2 LYS 3 1HD LYS 3 5.818 11.911 7.394 575 HD3 LYS 3 2HD LYS 3 5.273 13.137 8.536 576 HE2 LYS 3 1HE LYS 3 7.677 13.323 6.724 577 HE3 LYS 3 2HE LYS 3 6.147 14.169 6.515 578 HZ1 LYS 3 1HZ LYS 3 6.557 15.329 8.608 579 HZ2 LYS 3 2HZ LYS 3 7.795 15.613 7.490 580 HZ3 LYS 3 3HZ LYS 3 8.045 14.538 8.769 581 H THR 4 H THR 4 8.849 7.946 8.135 582 HA THR 4 HA THR 4 11.173 8.304 6.393 583 HB THR 4 HB THR 4 12.450 6.849 7.984 584 HG1 THR 4 HG1 THR 4 11.158 7.325 10.219 585 HG21 THR 4 1HG2 THR 4 12.796 9.249 7.966 586 HG22 THR 4 2HG2 THR 4 12.871 8.641 9.621 587 HG23 THR 4 3HG2 THR 4 11.423 9.477 9.051 588 H LEU 5 H LEU 5 12.167 6.236 5.735 589 HA LEU 5 HA LEU 5 10.242 4.570 4.533 590 HB2 LEU 5 1HB LEU 5 12.570 5.117 3.716 591 HB3 LEU 5 2HB LEU 5 13.179 3.995 4.913 592 HG LEU 5 HG LEU 5 12.910 3.227 2.460 593 HD11 LEU 5 1HD1 LEU 5 12.333 0.941 3.196 594 HD12 LEU 5 2HD1 LEU 5 11.900 1.597 4.777 595 HD13 LEU 5 3HD1 LEU 5 13.562 1.714 4.196 596 HD21 LEU 5 1HD2 LEU 5 10.737 2.270 1.936 597 HD22 LEU 5 2HD2 LEU 5 10.622 4.014 2.181 598 HD23 LEU 5 3HD2 LEU 5 10.084 2.906 3.445 599 H HIS 6 H HIS 6 12.394 4.161 7.291 600 HA HIS 6 HA HIS 6 11.889 1.513 7.936 601 HB2 HIS 6 1HB HIS 6 13.588 3.096 8.955 602 HB3 HIS 6 2HB HIS 6 12.282 3.732 9.942 603 HD1 HIS 6 HD1 HIS 6 14.958 1.451 10.153 604 HD2 HIS 6 HD2 HIS 6 11.017 1.394 11.455 605 HE1 HIS 6 HE1 HIS 6 14.879 -0.268 11.977 606 HE2 HIS 6 HE2 HIS 6 12.543 -0.110 12.905 607 H GLU 7 H GLU 7 10.179 4.425 9.004 608 HA GLU 7 HA GLU 7 8.347 3.095 10.689 609 HB2 GLU 7 1HB GLU 7 8.256 5.781 9.329 610 HB3 GLU 7 2HB GLU 7 7.020 5.234 10.451 611 HG2 GLU 7 1HG GLU 7 9.934 5.465 11.137 612 HG3 GLU 7 2HG GLU 7 8.746 6.728 11.435 613 H LEU 8 H LEU 8 8.380 3.802 7.273 614 HA LEU 8 HA LEU 8 5.624 3.313 6.794 615 HB2 LEU 8 1HB LEU 8 7.202 4.615 5.335 616 HB3 LEU 8 2HB LEU 8 7.908 3.090 4.842 617 HG LEU 8 HG LEU 8 6.167 4.218 3.314 618 HD11 LEU 8 1HD1 LEU 8 5.923 1.321 4.077 619 HD12 LEU 8 2HD1 LEU 8 7.012 2.007 2.872 620 HD13 LEU 8 3HD1 LEU 8 5.270 2.039 2.604 621 HD21 LEU 8 1HD2 LEU 8 4.538 4.623 5.118 622 HD22 LEU 8 2HD2 LEU 8 4.295 2.881 5.247 623 HD23 LEU 8 3HD2 LEU 8 3.864 3.726 3.760 624 H LEU 9 H LEU 9 8.538 1.327 6.570 625 HA LEU 9 HA LEU 9 7.301 -0.976 5.541 626 HB2 LEU 9 1HB LEU 9 9.828 -0.422 7.011 627 HB3 LEU 9 2HB LEU 9 9.298 -2.084 6.873 628 HG LEU 9 HG LEU 9 10.944 -1.326 5.130 629 HD11 LEU 9 1HD1 LEU 9 9.767 -2.422 3.282 630 HD12 LEU 9 2HD1 LEU 9 8.258 -2.304 4.188 631 HD13 LEU 9 3HD1 LEU 9 9.582 -3.298 4.801 632 HD21 LEU 9 1HD2 LEU 9 8.576 0.176 4.040 633 HD22 LEU 9 2HD2 LEU 9 10.163 0.010 3.289 634 HD23 LEU 9 3HD2 LEU 9 9.987 0.918 4.791 635 H GLU 10 H GLU 10 7.791 0.119 8.864 636 HA GLU 10 HA GLU 10 6.649 -2.188 10.062 637 HB2 GLU 10 1HB GLU 10 6.874 0.630 11.124 638 HB3 GLU 10 2HB GLU 10 6.433 -0.778 12.084 639 HG2 GLU 10 1HG GLU 10 8.645 -1.768 11.474 640 HG3 GLU 10 2HG GLU 10 9.063 -0.218 10.745 641 H ARG 11 H ARG 11 5.358 0.728 8.701 642 HA ARG 11 HA ARG 11 2.780 0.692 9.823 643 HB2 ARG 11 1HB ARG 11 4.145 2.432 8.317 644 HB3 ARG 11 2HB ARG 11 3.194 1.681 7.048 645 HG2 ARG 11 1HG ARG 11 1.950 2.856 9.512 646 HG3 ARG 11 2HG ARG 11 2.299 3.810 8.076 647 HD2 ARG 11 1HD ARG 11 0.154 3.238 7.607 648 HD3 ARG 11 2HD ARG 11 0.973 1.848 6.906 649 HE ARG 11 HE ARG 11 0.134 0.507 8.584 650 HH11 ARG 11 1HH1 ARG 11 -0.588 3.884 9.262 651 HH12 ARG 11 2HH1 ARG 11 -1.724 3.503 10.524 652 HH21 ARG 11 1HH2 ARG 11 -1.397 0.029 10.190 653 HH22 ARG 11 2HH2 ARG 11 -2.181 1.311 11.054 654 H ILE 12 H ILE 12 4.146 -0.775 6.909 655 HA ILE 12 HA ILE 12 1.557 -1.924 6.240 656 HB ILE 12 HB ILE 12 2.597 -2.684 4.172 657 HG12 ILE 12 1HG1 ILE 12 5.104 -1.323 5.188 658 HG13 ILE 12 2HG1 ILE 12 4.886 -3.066 5.068 659 HG21 ILE 12 1HG2 ILE 12 3.124 0.196 4.863 660 HG22 ILE 12 2HG2 ILE 12 1.604 -0.485 4.275 661 HG23 ILE 12 3HG2 ILE 12 3.025 -0.457 3.228 662 HD11 ILE 12 1HD1 ILE 12 6.173 -2.197 3.201 663 HD12 ILE 12 2HD1 ILE 12 4.840 -1.125 2.770 664 HD13 ILE 12 3HD1 ILE 12 4.638 -2.874 2.653 665 H GLY 13 H GLY 13 4.386 -2.825 7.892 666 HA2 GLY 13 1HA GLY 13 4.448 -4.750 9.255 667 HA3 GLY 13 2HA GLY 13 3.248 -5.496 8.214 668 H LEU 14 H LEU 14 6.046 -3.943 6.881 669 HA LEU 14 HA LEU 14 7.203 -6.586 6.306 670 HB2 LEU 14 1HB LEU 14 6.917 -4.171 4.560 671 HB3 LEU 14 2HB LEU 14 8.240 -5.287 4.297 672 HG LEU 14 HG LEU 14 6.519 -5.870 2.778 673 HD11 LEU 14 1HD1 LEU 14 6.394 -7.796 5.075 674 HD12 LEU 14 2HD1 LEU 14 7.662 -7.737 3.853 675 HD13 LEU 14 3HD1 LEU 14 6.009 -8.145 3.392 676 HD21 LEU 14 1HD2 LEU 14 4.643 -5.917 5.123 677 HD22 LEU 14 2HD2 LEU 14 4.256 -6.484 3.499 678 HD23 LEU 14 3HD2 LEU 14 4.628 -4.782 3.773 679 H GLU 15 H GLU 15 7.690 -4.871 8.558 680 HA GLU 15 HA GLU 15 10.034 -3.366 8.340 681 HB2 GLU 15 1HB GLU 15 10.212 -3.624 10.765 682 HB3 GLU 15 2HB GLU 15 8.563 -3.263 10.279 683 HG2 GLU 15 1HG GLU 15 7.952 -5.595 10.533 684 HG3 GLU 15 2HG GLU 15 9.614 -5.995 10.968 685 H GLU 16 H GLU 16 9.514 -6.736 8.295 686 HA GLU 16 HA GLU 16 12.002 -7.743 9.061 687 HB2 GLU 16 1HB GLU 16 11.404 -9.684 7.647 688 HB3 GLU 16 2HB GLU 16 10.081 -9.184 8.690 689 HG2 GLU 16 1HG GLU 16 9.035 -8.018 6.823 690 HG3 GLU 16 2HG GLU 16 10.371 -8.487 5.778 691 H HIS 17 H HIS 17 11.116 -5.851 6.352 692 HA HIS 17 HA HIS 17 13.606 -6.602 4.975 693 HB2 HIS 17 1HB HIS 17 10.926 -5.883 3.826 694 HB3 HIS 17 2HB HIS 17 12.400 -5.833 2.869 695 HD1 HIS 17 HD1 HIS 17 13.822 -8.309 3.301 696 HD2 HIS 17 HD2 HIS 17 9.668 -8.217 3.429 697 HE1 HIS 17 HE1 HIS 17 13.081 -10.683 2.943 698 HE2 HIS 17 HE2 HIS 17 10.599 -10.631 3.334 699 H THR 18 H THR 18 12.531 -4.261 6.859 700 HA THR 18 HA THR 18 12.813 -1.872 5.483 701 HB THR 18 HB THR 18 13.838 -2.376 8.271 702 HG1 THR 18 HG1 THR 18 11.815 -2.381 8.939 703 HG21 THR 18 1HG2 THR 18 12.830 0.103 6.890 704 HG22 THR 18 2HG2 THR 18 14.494 -0.229 7.368 705 HG23 THR 18 3HG2 THR 18 13.251 -0.003 8.601 706 H SER 19 H SER 19 15.320 -3.836 7.046 707 HA SER 19 HA SER 19 17.491 -2.199 6.306 708 HB2 SER 19 1HB SER 19 17.568 -3.927 8.097 709 HB3 SER 19 2HB SER 19 17.515 -5.172 6.856 710 HG SER 19 HG SER 19 19.623 -4.953 7.123 711 H THR 20 H THR 20 15.874 -4.917 4.744 712 HA THR 20 HA THR 20 17.602 -5.397 2.626 713 HB THR 20 HB THR 20 14.585 -5.397 2.444 714 HG1 THR 20 HG1 THR 20 16.367 -7.094 3.768 715 HG21 THR 20 1HG2 THR 20 15.714 -5.660 0.302 716 HG22 THR 20 2HG2 THR 20 14.944 -7.173 0.788 717 HG23 THR 20 3HG2 THR 20 16.688 -6.975 0.964 718 H LEU 21 H LEU 21 14.890 -3.109 2.805 719 HA LEU 21 HA LEU 21 15.316 -1.942 0.275 720 HB2 LEU 21 1HB LEU 21 13.862 -1.110 2.754 721 HB3 LEU 21 2HB LEU 21 14.079 0.048 1.466 722 HG LEU 21 HG LEU 21 11.970 -0.802 1.050 723 HD11 LEU 21 1HD1 LEU 21 13.412 -0.932 -0.937 724 HD12 LEU 21 2HD1 LEU 21 12.089 -2.098 -0.961 725 HD13 LEU 21 3HD1 LEU 21 13.724 -2.629 -0.568 726 HD21 LEU 21 1HD2 LEU 21 11.340 -3.145 1.177 727 HD22 LEU 21 2HD2 LEU 21 12.001 -2.576 2.711 728 HD23 LEU 21 3HD2 LEU 21 12.988 -3.570 1.639 729 H LEU 22 H LEU 22 16.271 -0.897 3.530 730 HA LEU 22 HA LEU 22 17.575 1.456 2.881 731 HB2 LEU 22 1HB LEU 22 17.637 -0.455 5.114 732 HB3 LEU 22 2HB LEU 22 19.067 0.542 4.962 733 HG LEU 22 HG LEU 22 17.783 2.554 5.230 734 HD11 LEU 22 1HD1 LEU 22 15.800 1.905 3.973 735 HD12 LEU 22 2HD1 LEU 22 15.372 2.537 5.563 736 HD13 LEU 22 3HD1 LEU 22 15.338 0.798 5.266 737 HD21 LEU 22 1HD2 LEU 22 18.420 1.436 7.272 738 HD22 LEU 22 2HD2 LEU 22 16.958 0.453 7.222 739 HD23 LEU 22 3HD2 LEU 22 16.843 2.195 7.472 740 H LEU 23 H LEU 23 18.915 -1.822 2.994 741 HA LEU 23 HA LEU 23 21.589 -1.075 2.472 742 HB2 LEU 23 1HB LEU 23 20.169 -3.690 2.012 743 HB3 LEU 23 2HB LEU 23 21.902 -3.472 1.910 744 HG LEU 23 HG LEU 23 20.214 -3.134 4.387 745 HD11 LEU 23 1HD1 LEU 23 22.230 -5.244 3.635 746 HD12 LEU 23 2HD1 LEU 23 20.480 -5.455 3.702 747 HD13 LEU 23 3HD1 LEU 23 21.384 -5.117 5.178 748 HD21 LEU 23 1HD2 LEU 23 23.193 -2.879 3.992 749 HD22 LEU 23 2HD2 LEU 23 22.368 -2.897 5.551 750 HD23 LEU 23 3HD2 LEU 23 22.073 -1.583 4.413 751 H ASN 24 H ASN 24 18.850 -1.524 0.432 752 HA ASN 24 HA ASN 24 20.563 -1.650 -1.933 753 HB2 ASN 24 1HB ASN 24 17.717 -2.402 -1.416 754 HB3 ASN 24 2HB ASN 24 18.254 -2.078 -3.061 755 HD21 ASN 24 1HD2 ASN 24 18.482 -4.199 -0.333 756 HD22 ASN 24 2HD2 ASN 24 19.327 -5.480 -1.140 757 H GLY 25 H GLY 25 19.459 0.700 -0.117 758 HA2 GLY 25 1HA GLY 25 19.998 2.916 -0.843 759 HA3 GLY 25 2HA GLY 25 19.451 2.485 -2.453 760 H TYR 26 H TYR 26 17.159 1.153 -0.707 761 HA TYR 26 HA TYR 26 15.358 3.378 -1.131 762 HB2 TYR 26 1HB TYR 26 14.878 0.573 -0.127 763 HB3 TYR 26 2HB TYR 26 13.612 1.743 -0.474 764 HD1 TYR 26 HD1 TYR 26 15.792 -0.770 -1.807 765 HD2 TYR 26 HD2 TYR 26 13.355 2.552 -2.852 766 HE1 TYR 26 HE1 TYR 26 15.741 -1.551 -4.135 767 HE2 TYR 26 HE2 TYR 26 13.292 1.782 -5.183 768 HH TYR 26 HH TYR 26 14.778 0.356 -6.684 769 H GLN 27 H GLN 27 16.380 4.718 0.485 770 HA GLN 27 HA GLN 27 15.801 3.919 3.251 771 HB2 GLN 27 1HB GLN 27 17.737 5.982 2.205 772 HB3 GLN 27 2HB GLN 27 17.499 5.567 3.896 773 HG2 GLN 27 1HG GLN 27 18.263 3.305 3.462 774 HG3 GLN 27 2HG GLN 27 18.465 3.693 1.759 775 HE21 GLN 27 1HE2 GLN 27 20.646 3.123 1.872 776 HE22 GLN 27 2HE2 GLN 27 21.812 4.165 2.606 777 H THR 28 H THR 28 14.566 5.688 0.816 778 HA THR 28 HA THR 28 13.190 7.476 2.686 779 HB THR 28 HB THR 28 13.147 9.223 0.903 780 HG1 THR 28 HG1 THR 28 15.333 7.941 -0.321 781 HG21 THR 28 1HG2 THR 28 15.476 9.976 1.239 782 HG22 THR 28 2HG2 THR 28 15.874 8.382 1.888 783 HG23 THR 28 3HG2 THR 28 14.725 9.419 2.735 784 H LEU 29 H LEU 29 11.099 8.154 1.957 785 HA LEU 29 HA LEU 29 9.612 6.080 0.716 786 HB2 LEU 29 1HB LEU 29 8.798 8.935 1.274 787 HB3 LEU 29 2HB LEU 29 7.715 7.590 0.962 788 HG LEU 29 HG LEU 29 9.540 7.844 3.355 789 HD11 LEU 29 1HD1 LEU 29 7.500 8.181 4.633 790 HD12 LEU 29 2HD1 LEU 29 6.548 8.116 3.149 791 HD13 LEU 29 3HD1 LEU 29 7.688 9.437 3.408 792 HD21 LEU 29 1HD2 LEU 29 8.370 5.890 4.198 793 HD22 LEU 29 2HD2 LEU 29 9.182 5.531 2.674 794 HD23 LEU 29 3HD2 LEU 29 7.438 5.789 2.705 795 H GLU 30 H GLU 30 11.153 8.973 -0.368 796 HA GLU 30 HA GLU 30 9.875 9.127 -2.908 797 HB2 GLU 30 1HB GLU 30 12.467 10.299 -1.907 798 HB3 GLU 30 2HB GLU 30 11.771 10.646 -3.485 799 HG2 GLU 30 1HG GLU 30 9.737 11.491 -2.320 800 HG3 GLU 30 2HG GLU 30 10.602 11.302 -0.797 801 H ASP 31 H ASP 31 12.537 7.300 -1.628 802 HA ASP 31 HA ASP 31 13.370 6.482 -4.293 803 HB2 ASP 31 1HB ASP 31 14.903 6.799 -2.189 804 HB3 ASP 31 2HB ASP 31 14.354 5.178 -1.779 805 H PHE 32 H PHE 32 11.603 5.281 -1.524 806 HA PHE 32 HA PHE 32 11.333 2.609 -2.392 807 HB2 PHE 32 1HB PHE 32 10.958 3.416 -0.055 808 HB3 PHE 32 2HB PHE 32 9.449 4.141 -0.597 809 HD1 PHE 32 HD1 PHE 32 7.576 2.727 -1.279 810 HD2 PHE 32 HD2 PHE 32 11.151 1.046 0.284 811 HE1 PHE 32 HE1 PHE 32 6.400 0.611 -0.879 812 HE2 PHE 32 HE2 PHE 32 9.979 -1.080 0.684 813 HZ PHE 32 HZ PHE 32 7.598 -1.297 0.101 814 H LYS 33 H LYS 33 9.590 5.528 -3.227 815 HA LYS 33 HA LYS 33 7.358 4.203 -4.379 816 HB2 LYS 33 1HB LYS 33 6.947 6.337 -5.565 817 HB3 LYS 33 2HB LYS 33 7.171 6.536 -3.835 818 HG2 LYS 33 1HG LYS 33 9.362 7.392 -4.134 819 HG3 LYS 33 2HG LYS 33 9.358 6.964 -5.844 820 HD2 LYS 33 1HD LYS 33 8.998 9.345 -5.577 821 HD3 LYS 33 2HD LYS 33 7.555 8.580 -6.236 822 HE2 LYS 33 1HE LYS 33 6.609 8.550 -3.924 823 HE3 LYS 33 2HE LYS 33 8.010 9.472 -3.394 824 HZ1 LYS 33 1HZ LYS 33 7.386 11.287 -4.767 825 HZ2 LYS 33 2HZ LYS 33 5.993 10.831 -3.917 826 HZ3 LYS 33 3HZ LYS 33 6.179 10.391 -5.539 827 H GLU 34 H GLU 34 10.538 4.176 -5.222 828 HA GLU 34 HA GLU 34 10.033 3.662 -8.066 829 HB2 GLU 34 1HB GLU 34 12.600 3.974 -6.503 830 HB3 GLU 34 2HB GLU 34 12.515 3.642 -8.226 831 HG2 GLU 34 1HG GLU 34 11.113 6.021 -7.124 832 HG3 GLU 34 2HG GLU 34 12.859 6.067 -7.350 833 H LEU 35 H LEU 35 9.909 2.082 -5.258 834 HA LEU 35 HA LEU 35 11.440 -0.262 -5.755 835 HB2 LEU 35 1HB LEU 35 10.794 0.530 -3.511 836 HB3 LEU 35 2HB LEU 35 9.115 0.237 -3.892 837 HG LEU 35 HG LEU 35 10.313 -1.437 -2.402 838 HD11 LEU 35 1HD1 LEU 35 9.066 -3.294 -3.301 839 HD12 LEU 35 2HD1 LEU 35 8.942 -2.493 -4.866 840 HD13 LEU 35 3HD1 LEU 35 8.122 -1.812 -3.459 841 HD21 LEU 35 1HD2 LEU 35 12.363 -1.586 -3.731 842 HD22 LEU 35 2HD2 LEU 35 11.447 -2.316 -5.049 843 HD23 LEU 35 3HD2 LEU 35 11.603 -3.163 -3.511 844 H ARG 36 H ARG 36 10.898 -2.072 -6.811 845 HA ARG 36 HA ARG 36 8.173 -2.311 -7.846 846 HB2 ARG 36 1HB ARG 36 10.714 -2.566 -9.453 847 HB3 ARG 36 2HB ARG 36 9.120 -3.004 -10.043 848 HG2 ARG 36 1HG ARG 36 10.041 -0.251 -9.242 849 HG3 ARG 36 2HG ARG 36 9.738 -0.831 -10.883 850 HD2 ARG 36 1HD ARG 36 7.393 -1.155 -10.361 851 HD3 ARG 36 2HD ARG 36 7.678 -0.666 -8.695 852 HE ARG 36 HE ARG 36 8.395 1.306 -10.681 853 HH11 ARG 36 1HH1 ARG 36 5.975 0.064 -8.509 854 HH12 ARG 36 2HH1 ARG 36 4.997 1.499 -8.527 855 HH21 ARG 36 1HH2 ARG 36 7.159 3.250 -10.680 856 HH22 ARG 36 2HH2 ARG 36 5.704 3.329 -9.739 857 H GLU 37 H GLU 37 7.791 -4.513 -8.824 858 HA GLU 37 HA GLU 37 8.451 -6.467 -6.880 859 HB2 GLU 37 1HB GLU 37 6.331 -6.506 -8.106 860 HB3 GLU 37 2HB GLU 37 7.196 -6.784 -9.610 861 HG2 GLU 37 1HG GLU 37 7.956 -8.932 -8.814 862 HG3 GLU 37 2HG GLU 37 7.182 -8.648 -7.254 863 H THR 38 H THR 38 9.566 -5.767 -10.136 864 HA THR 38 HA THR 38 11.323 -7.920 -10.461 865 HB THR 38 HB THR 38 11.779 -5.102 -11.443 866 HG1 THR 38 HG1 THR 38 10.026 -7.140 -12.348 867 HG21 THR 38 1HG2 THR 38 13.637 -6.664 -11.794 868 HG22 THR 38 2HG2 THR 38 12.887 -6.195 -13.320 869 HG23 THR 38 3HG2 THR 38 12.541 -7.775 -12.616 870 H HIS 39 H HIS 39 11.538 -4.965 -8.642 871 HA HIS 39 HA HIS 39 14.349 -5.164 -8.111 872 HB2 HIS 39 1HB HIS 39 12.186 -3.486 -6.828 873 HB3 HIS 39 2HB HIS 39 13.897 -3.367 -6.427 874 HD1 HIS 39 HD1 HIS 39 12.617 -0.859 -7.460 875 HD2 HIS 39 HD2 HIS 39 14.312 -3.700 -9.972 876 HE1 HIS 39 HE1 HIS 39 13.067 0.337 -9.613 877 HE2 HIS 39 HE2 HIS 39 14.275 -1.345 -11.047 878 H LEU 40 H LEU 40 11.377 -6.206 -6.593 879 HA LEU 40 HA LEU 40 12.535 -7.058 -4.148 880 HB2 LEU 40 1HB LEU 40 9.964 -7.425 -5.531 881 HB3 LEU 40 2HB LEU 40 10.409 -8.706 -4.418 882 HG LEU 40 HG LEU 40 10.575 -7.121 -2.597 883 HD11 LEU 40 1HD1 LEU 40 11.375 -5.245 -4.032 884 HD12 LEU 40 2HD1 LEU 40 10.171 -4.814 -2.821 885 HD13 LEU 40 3HD1 LEU 40 9.697 -4.991 -4.512 886 HD21 LEU 40 1HD2 LEU 40 8.231 -6.379 -2.501 887 HD22 LEU 40 2HD2 LEU 40 8.409 -8.064 -2.987 888 HD23 LEU 40 3HD2 LEU 40 8.049 -6.830 -4.196 889 H ASN 41 H ASN 41 12.117 -8.556 -7.287 890 HA ASN 41 HA ASN 41 13.009 -11.132 -6.644 891 HB2 ASN 41 1HB ASN 41 13.415 -9.520 -9.172 892 HB3 ASN 41 2HB ASN 41 13.804 -11.229 -9.025 893 HD21 ASN 41 1HD2 ASN 41 11.989 -10.049 -10.849 894 HD22 ASN 41 2HD2 ASN 41 10.413 -10.675 -10.509 895 H GLU 42 H GLU 42 14.677 -8.121 -7.136 896 HA GLU 42 HA GLU 42 17.322 -9.221 -7.030 897 HB2 GLU 42 1HB GLU 42 16.329 -6.391 -6.682 898 HB3 GLU 42 2HB GLU 42 18.011 -6.858 -6.882 899 HG2 GLU 42 1HG GLU 42 15.845 -7.338 -8.909 900 HG3 GLU 42 2HG GLU 42 16.975 -5.988 -8.937 901 H LEU 43 H LEU 43 15.064 -7.736 -4.810 902 HA LEU 43 HA LEU 43 16.893 -7.579 -2.610 903 HB2 LEU 43 1HB LEU 43 13.888 -7.421 -2.587 904 HB3 LEU 43 2HB LEU 43 14.973 -6.861 -1.333 905 HG LEU 43 HG LEU 43 14.747 -5.700 -4.105 906 HD11 LEU 43 1HD1 LEU 43 12.816 -5.228 -2.695 907 HD12 LEU 43 2HD1 LEU 43 13.776 -3.779 -3.002 908 HD13 LEU 43 3HD1 LEU 43 13.889 -4.599 -1.443 909 HD21 LEU 43 1HD2 LEU 43 17.002 -5.517 -3.240 910 HD22 LEU 43 2HD2 LEU 43 16.384 -4.827 -1.739 911 HD23 LEU 43 3HD2 LEU 43 16.208 -3.942 -3.254 912 H ASN 44 H ASN 44 15.379 -10.112 -4.035 913 HA ASN 44 HA ASN 44 15.123 -12.302 -3.520 914 HB2 ASN 44 1HB ASN 44 17.310 -11.827 -2.238 915 HB3 ASN 44 2HB ASN 44 16.303 -11.789 -0.799 916 HD21 ASN 44 1HD2 ASN 44 15.431 -13.692 -0.015 917 HD22 ASN 44 2HD2 ASN 44 15.922 -15.248 -0.586 918 H ILE 45 H ILE 45 13.171 -10.237 -2.884 919 HA ILE 45 HA ILE 45 11.734 -11.445 -0.630 920 HB ILE 45 HB ILE 45 11.043 -8.929 -2.144 921 HG12 ILE 45 1HG1 ILE 45 12.386 -9.211 0.552 922 HG13 ILE 45 2HG1 ILE 45 13.227 -8.804 -0.940 923 HG21 ILE 45 1HG2 ILE 45 9.133 -9.973 -1.047 924 HG22 ILE 45 2HG2 ILE 45 9.576 -8.477 -0.223 925 HG23 ILE 45 3HG2 ILE 45 10.024 -10.034 0.474 926 HD11 ILE 45 1HD1 ILE 45 11.993 -6.744 -1.113 927 HD12 ILE 45 2HD1 ILE 45 12.760 -6.853 0.473 928 HD13 ILE 45 3HD1 ILE 45 11.033 -7.168 0.304 929 H MET 46 H MET 46 11.309 -13.340 -1.880 930 HA MET 46 HA MET 46 9.749 -13.073 -4.300 931 HB2 MET 46 1HB MET 46 10.669 -15.533 -2.810 932 HB3 MET 46 2HB MET 46 9.913 -15.526 -4.399 933 HG2 MET 46 1HG MET 46 12.544 -14.249 -3.690 934 HG3 MET 46 2HG MET 46 12.330 -15.770 -4.554 935 HE1 MET 46 1HE MET 46 14.120 -13.342 -5.643 936 HE2 MET 46 2HE MET 46 13.662 -13.371 -7.346 937 HE3 MET 46 3HE MET 46 13.917 -14.884 -6.474 938 H ASP 47 H ASP 47 9.108 -13.151 -1.044 939 HA ASP 47 HA ASP 47 6.791 -14.716 -0.830 940 HB2 ASP 47 1HB ASP 47 7.732 -12.284 0.674 941 HB3 ASP 47 2HB ASP 47 6.268 -13.156 1.108 942 HA PRO 48 HA PRO 48 4.438 -12.468 -3.833 943 HB2 PRO 48 1HB PRO 48 2.235 -14.095 -2.697 944 HB3 PRO 48 2HB PRO 48 2.770 -13.929 -4.368 945 HG2 PRO 48 1HG PRO 48 3.321 -16.124 -2.990 946 HG3 PRO 48 2HG PRO 48 4.505 -15.427 -4.107 947 HD2 PRO 48 1HD PRO 48 4.408 -15.296 -1.128 948 HD3 PRO 48 2HD PRO 48 5.802 -15.487 -2.207 949 H GLN 49 H GLN 49 2.890 -12.992 -0.643 950 HA GLN 49 HA GLN 49 1.173 -10.742 -0.939 951 HB2 GLN 49 1HB GLN 49 1.978 -12.397 1.436 952 HB3 GLN 49 2HB GLN 49 0.931 -10.998 1.596 953 HG2 GLN 49 1HG GLN 49 -0.720 -11.989 0.186 954 HG3 GLN 49 2HG GLN 49 0.349 -13.331 -0.205 955 HE21 GLN 49 1HE2 GLN 49 -1.721 -11.919 2.190 956 HE22 GLN 49 2HE2 GLN 49 -1.793 -13.297 3.231 957 H HIS 50 H HIS 50 4.332 -11.253 0.473 958 HA HIS 50 HA HIS 50 4.542 -8.711 1.726 959 HB2 HIS 50 1HB HIS 50 6.701 -10.597 0.758 960 HB3 HIS 50 2HB HIS 50 6.992 -9.181 1.759 961 HD1 HIS 50 HD1 HIS 50 7.972 -10.835 3.606 962 HD2 HIS 50 HD2 HIS 50 3.931 -11.301 2.758 963 HE1 HIS 50 HE1 HIS 50 7.056 -12.259 5.451 964 HE2 HIS 50 HE2 HIS 50 4.595 -12.466 4.966 965 H ARG 51 H ARG 51 5.486 -10.003 -1.396 966 HA ARG 51 HA ARG 51 6.516 -7.719 -2.598 967 HB2 ARG 51 1HB ARG 51 4.941 -10.052 -3.669 968 HB3 ARG 51 2HB ARG 51 5.528 -8.773 -4.723 969 HG2 ARG 51 1HG ARG 51 7.727 -9.375 -4.455 970 HG3 ARG 51 2HG ARG 51 7.434 -10.148 -2.896 971 HD2 ARG 51 1HD ARG 51 7.921 -11.702 -4.811 972 HD3 ARG 51 2HD ARG 51 6.450 -12.036 -3.905 973 HE ARG 51 HE ARG 51 6.003 -10.394 -6.218 974 HH11 ARG 51 1HH1 ARG 51 6.397 -13.679 -5.084 975 HH12 ARG 51 2HH1 ARG 51 5.470 -14.375 -6.375 976 HH21 ARG 51 1HH2 ARG 51 4.778 -11.284 -7.911 977 HH22 ARG 51 2HH2 ARG 51 4.551 -13.009 -7.997 978 H ALA 52 H ALA 52 3.196 -8.929 -2.604 979 HA ALA 52 HA ALA 52 1.975 -6.935 -4.045 980 HB1 ALA 52 1HB ALA 52 0.876 -8.998 -3.442 981 HB2 ALA 52 2HB ALA 52 -0.086 -7.630 -2.889 982 HB3 ALA 52 3HB ALA 52 0.891 -8.539 -1.741 983 H LYS 53 H LYS 53 2.595 -7.038 -0.543 984 HA LYS 53 HA LYS 53 1.312 -4.577 0.017 985 HB2 LYS 53 1HB LYS 53 3.515 -5.900 1.600 986 HB3 LYS 53 2HB LYS 53 2.406 -4.667 2.182 987 HG2 LYS 53 1HG LYS 53 0.565 -6.359 1.532 988 HG3 LYS 53 2HG LYS 53 1.875 -7.538 1.559 989 HD2 LYS 53 1HD LYS 53 1.079 -7.692 3.713 990 HD3 LYS 53 2HD LYS 53 2.359 -6.495 3.911 991 HE2 LYS 53 1HE LYS 53 0.755 -4.696 3.817 992 HE3 LYS 53 2HE LYS 53 -0.546 -5.838 3.465 993 HZ1 LYS 53 1HZ LYS 53 1.018 -5.640 5.984 994 HZ2 LYS 53 2HZ LYS 53 -0.110 -6.858 5.656 995 HZ3 LYS 53 3HZ LYS 53 -0.614 -5.250 5.770 996 H LEU 54 H LEU 54 4.762 -5.383 -0.336 997 HA LEU 54 HA LEU 54 5.786 -2.828 0.040 998 HB2 LEU 54 1HB LEU 54 6.793 -5.120 -1.630 999 HB3 LEU 54 2HB LEU 54 7.721 -3.662 -1.342 1000 HG LEU 54 HG LEU 54 6.716 -5.440 0.869 1001 HD11 LEU 54 1HD1 LEU 54 8.218 -6.735 -0.489 1002 HD12 LEU 54 2HD1 LEU 54 9.035 -6.265 1.004 1003 HD13 LEU 54 3HD1 LEU 54 9.393 -5.420 -0.505 1004 HD21 LEU 54 1HD2 LEU 54 8.430 -4.259 2.177 1005 HD22 LEU 54 2HD2 LEU 54 7.189 -3.172 1.555 1006 HD23 LEU 54 3HD2 LEU 54 8.772 -3.240 0.779 1007 H LEU 55 H LEU 55 4.683 -4.388 -2.941 1008 HA LEU 55 HA LEU 55 5.394 -2.276 -4.664 1009 HB2 LEU 55 1HB LEU 55 3.612 -4.640 -4.847 1010 HB3 LEU 55 2HB LEU 55 3.370 -3.357 -6.016 1011 HG LEU 55 HG LEU 55 4.806 -5.006 -6.989 1012 HD11 LEU 55 1HD1 LEU 55 6.509 -2.675 -6.149 1013 HD12 LEU 55 2HD1 LEU 55 5.273 -2.609 -7.404 1014 HD13 LEU 55 3HD1 LEU 55 6.675 -3.661 -7.601 1015 HD21 LEU 55 1HD2 LEU 55 6.616 -4.619 -4.611 1016 HD22 LEU 55 2HD2 LEU 55 6.953 -5.623 -6.020 1017 HD23 LEU 55 3HD2 LEU 55 5.628 -6.045 -4.934 1018 H THR 56 H THR 56 2.384 -2.998 -2.943 1019 HA THR 56 HA THR 56 0.876 -0.896 -4.073 1020 HB THR 56 HB THR 56 0.538 -2.169 -1.356 1021 HG1 THR 56 HG1 THR 56 0.402 -3.792 -2.835 1022 HG21 THR 56 1HG2 THR 56 -1.797 -1.502 -1.580 1023 HG22 THR 56 2HG2 THR 56 -1.441 -0.746 -3.132 1024 HG23 THR 56 3HG2 THR 56 -0.742 -0.089 -1.652 1025 H ALA 57 H ALA 57 2.920 -1.125 -1.209 1026 HA ALA 57 HA ALA 57 2.435 1.427 -0.183 1027 HB1 ALA 57 1HB ALA 57 3.578 -0.202 1.142 1028 HB2 ALA 57 2HB ALA 57 4.657 1.174 0.903 1029 HB3 ALA 57 3HB ALA 57 4.892 -0.305 -0.030 1030 H ALA 58 H ALA 58 4.842 0.268 -2.517 1031 HA ALA 58 HA ALA 58 6.076 2.744 -3.004 1032 HB1 ALA 58 1HB ALA 58 6.939 1.728 -5.027 1033 HB2 ALA 58 2HB ALA 58 5.746 0.431 -4.911 1034 HB3 ALA 58 3HB ALA 58 7.012 0.578 -3.691 1035 H GLU 59 H GLU 59 3.334 1.146 -4.553 1036 HA GLU 59 HA GLU 59 2.839 2.957 -6.608 1037 HB2 GLU 59 1HB GLU 59 0.948 1.226 -5.016 1038 HB3 GLU 59 2HB GLU 59 0.465 2.120 -6.447 1039 HG2 GLU 59 1HG GLU 59 2.597 0.006 -6.366 1040 HG3 GLU 59 2HG GLU 59 0.938 -0.240 -6.903 1041 H LEU 60 H LEU 60 1.411 2.854 -3.340 1042 HA LEU 60 HA LEU 60 -0.045 5.248 -3.734 1043 HB2 LEU 60 1HB LEU 60 0.462 3.441 -1.468 1044 HB3 LEU 60 2HB LEU 60 0.094 5.101 -1.043 1045 HG LEU 60 HG LEU 60 -1.998 4.950 -2.344 1046 HD11 LEU 60 1HD1 LEU 60 -2.792 2.753 -3.072 1047 HD12 LEU 60 2HD1 LEU 60 -1.218 2.065 -2.673 1048 HD13 LEU 60 3HD1 LEU 60 -1.355 3.272 -3.954 1049 HD21 LEU 60 1HD2 LEU 60 -2.164 4.582 -0.018 1050 HD22 LEU 60 2HD2 LEU 60 -1.535 2.943 -0.168 1051 HD23 LEU 60 3HD2 LEU 60 -3.134 3.333 -0.804 1052 H LEU 61 H LEU 61 3.080 4.604 -2.123 1053 HA LEU 61 HA LEU 61 3.470 7.217 -1.176 1054 HB2 LEU 61 1HB LEU 61 5.451 5.121 -2.030 1055 HB3 LEU 61 2HB LEU 61 5.925 6.646 -1.309 1056 HG LEU 61 HG LEU 61 4.217 4.539 0.008 1057 HD11 LEU 61 1HD1 LEU 61 6.517 3.843 -0.227 1058 HD12 LEU 61 2HD1 LEU 61 6.167 4.226 1.454 1059 HD13 LEU 61 3HD1 LEU 61 7.075 5.365 0.462 1060 HD21 LEU 61 1HD2 LEU 61 3.606 6.759 0.769 1061 HD22 LEU 61 2HD2 LEU 61 5.301 7.149 1.058 1062 HD23 LEU 61 3HD2 LEU 61 4.503 5.911 2.030 1063 H LEU 62 H LEU 62 3.813 5.853 -4.333 1064 HA LEU 62 HA LEU 62 5.402 7.808 -5.555 1065 HB2 LEU 62 1HB LEU 62 4.895 5.649 -6.560 1066 HB3 LEU 62 2HB LEU 62 3.204 6.083 -6.682 1067 HG LEU 62 HG LEU 62 3.733 7.798 -8.332 1068 HD11 LEU 62 1HD1 LEU 62 6.578 6.868 -7.981 1069 HD12 LEU 62 2HD1 LEU 62 5.930 8.455 -7.568 1070 HD13 LEU 62 3HD1 LEU 62 6.011 7.947 -9.255 1071 HD21 LEU 62 1HD2 LEU 62 3.249 5.531 -9.082 1072 HD22 LEU 62 2HD2 LEU 62 4.960 5.116 -8.958 1073 HD23 LEU 62 3HD2 LEU 62 4.425 6.309 -10.143 1074 H ASP 63 H ASP 63 1.961 7.655 -4.894 1075 HA ASP 63 HA ASP 63 1.592 10.253 -6.213 1076 HB2 ASP 63 1HB ASP 63 -0.339 8.060 -5.493 1077 HB3 ASP 63 2HB ASP 63 -0.870 9.654 -6.008 1078 H TYR 64 H TYR 64 1.537 8.706 -3.138 1079 HA TYR 64 HA TYR 64 0.049 10.947 -1.937 1080 HB2 TYR 64 1HB TYR 64 0.252 8.065 -1.068 1081 HB3 TYR 64 2HB TYR 64 -0.554 9.323 -0.146 1082 HD1 TYR 64 HD1 TYR 64 -2.658 10.277 -0.935 1083 HD2 TYR 64 HD2 TYR 64 -0.762 7.094 -3.003 1084 HE1 TYR 64 HE1 TYR 64 -4.747 9.832 -2.137 1085 HE2 TYR 64 HE2 TYR 64 -2.840 6.630 -4.214 1086 HH TYR 64 HH TYR 64 -5.489 8.778 -4.205 1087 H ASP 65 H ASP 65 2.924 11.071 -2.281 1088 HA ASP 65 HA ASP 65 4.082 10.367 0.262 1089 HB2 ASP 65 1HB ASP 65 6.117 11.501 -0.571 1090 HB3 ASP 65 2HB ASP 65 5.508 10.281 -1.682 1091 H THR 66 H THR 66 1.975 11.798 0.868 1092 HA THR 66 HA THR 66 1.119 13.582 1.946 1093 HB THR 66 HB THR 66 2.731 14.728 3.564 1094 HG1 THR 66 HG1 THR 66 4.529 13.526 2.051 1095 HG21 THR 66 1HG2 THR 66 2.474 11.727 3.670 1096 HG22 THR 66 2HG2 THR 66 1.245 12.881 4.182 1097 HG23 THR 66 3HG2 THR 66 2.784 12.792 5.039 1098 H GLY 67 H GLY 67 1.849 14.196 -0.721 1099 HA2 GLY 67 1HA GLY 67 3.132 16.810 -0.638 1100 HA3 GLY 67 2HA GLY 67 2.640 15.937 -2.079 1101 H CYS 68 H CYS 68 0.601 16.573 0.686 1102 HA CYS 68 HA CYS 68 -1.319 17.733 0.982 1103 HB2 CYS 68 1HB CYS 68 -0.048 19.510 -1.090 1104 HB3 CYS 68 2HB CYS 68 -1.528 19.916 -0.231 1105 H GLU 69 H GLU 69 -3.297 18.682 -0.247 1106 HA GLU 69 HA GLU 69 -4.058 16.672 -2.209 1107 HB2 GLU 69 1HB GLU 69 -5.710 18.782 -0.803 1108 HB3 GLU 69 2HB GLU 69 -6.344 17.536 -1.868 1109 HG2 GLU 69 1HG GLU 69 -5.518 15.821 -0.315 1110 HG3 GLU 69 2HG GLU 69 -4.963 17.096 0.766 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 -2.177 9.091 -9.744 2 H2 GLY 1 2H GLY 1 -1.164 10.379 -10.152 3 H3 GLY 1 3H GLY 1 -2.700 10.260 -10.844 4 HA2 GLY 1 2HA GLY 1 -2.136 10.705 -7.971 5 HA3 GLY 1 1HA GLY 1 -2.635 11.947 -9.108 6 HA PRO 2 HA PRO 2 -6.440 9.089 -8.363 7 HB2 PRO 2 1HB PRO 2 -5.924 7.608 -5.938 8 HB3 PRO 2 2HB PRO 2 -6.300 6.990 -7.547 9 HG2 PRO 2 1HG PRO 2 -3.869 6.681 -6.349 10 HG3 PRO 2 2HG PRO 2 -4.096 6.742 -8.105 11 HD2 PRO 2 1HD PRO 2 -3.189 8.898 -6.237 12 HD3 PRO 2 2HD PRO 2 -2.584 8.483 -7.857 13 H LYS 3 H LYS 3 -7.867 10.516 -7.643 14 HA LYS 3 HA LYS 3 -7.547 11.625 -4.952 15 HB2 LYS 3 1HB LYS 3 -9.411 12.506 -7.159 16 HB3 LYS 3 2HB LYS 3 -9.114 13.344 -5.647 17 HG2 LYS 3 1HG LYS 3 -7.129 12.915 -7.864 18 HG3 LYS 3 2HG LYS 3 -7.944 14.425 -7.465 19 HD2 LYS 3 1HD LYS 3 -5.979 12.928 -5.728 20 HD3 LYS 3 2HD LYS 3 -5.675 14.430 -6.599 21 HE2 LYS 3 1HE LYS 3 -7.606 14.017 -4.324 22 HE3 LYS 3 2HE LYS 3 -6.086 14.904 -4.268 23 HZ1 LYS 3 1HZ LYS 3 -7.032 16.460 -5.910 24 HZ2 LYS 3 2HZ LYS 3 -7.888 16.442 -4.448 25 HZ3 LYS 3 3HZ LYS 3 -8.512 15.647 -5.804 26 H THR 4 H THR 4 -9.421 9.481 -6.838 27 HA THR 4 HA THR 4 -11.446 9.360 -4.729 28 HB THR 4 HB THR 4 -12.944 8.341 -6.439 29 HG1 THR 4 HG1 THR 4 -11.982 9.097 -8.684 30 HG21 THR 4 1HG2 THR 4 -13.117 10.714 -5.907 31 HG22 THR 4 2HG2 THR 4 -13.430 10.440 -7.621 32 HG23 THR 4 3HG2 THR 4 -11.872 11.085 -7.100 33 H LEU 5 H LEU 5 -12.539 7.147 -4.680 34 HA LEU 5 HA LEU 5 -10.624 5.270 -3.850 35 HB2 LEU 5 1HB LEU 5 -13.000 5.550 -3.051 36 HB3 LEU 5 2HB LEU 5 -13.520 4.757 -4.520 37 HG LEU 5 HG LEU 5 -13.333 3.411 -2.312 38 HD11 LEU 5 1HD1 LEU 5 -13.908 2.376 -4.398 39 HD12 LEU 5 2HD1 LEU 5 -12.704 1.382 -3.574 40 HD13 LEU 5 3HD1 LEU 5 -12.226 2.412 -4.925 41 HD21 LEU 5 1HD2 LEU 5 -10.473 3.359 -3.250 42 HD22 LEU 5 2HD2 LEU 5 -11.165 2.367 -1.967 43 HD23 LEU 5 3HD2 LEU 5 -11.065 4.118 -1.770 44 H HIS 6 H HIS 6 -12.699 5.409 -6.710 45 HA HIS 6 HA HIS 6 -12.037 3.025 -7.929 46 HB2 HIS 6 1HB HIS 6 -13.814 4.487 -8.734 47 HB3 HIS 6 2HB HIS 6 -12.634 5.693 -9.215 48 HD1 HIS 6 HD1 HIS 6 -11.524 5.421 -11.483 49 HD2 HIS 6 HD2 HIS 6 -13.907 2.178 -10.419 50 HE1 HIS 6 HE1 HIS 6 -11.712 3.998 -13.547 51 HE2 HIS 6 HE2 HIS 6 -13.043 1.985 -12.845 52 H GLU 7 H GLU 7 -10.386 6.143 -8.189 53 HA GLU 7 HA GLU 7 -8.536 5.266 -10.150 54 HB2 GLU 7 1HB GLU 7 -8.283 7.577 -8.225 55 HB3 GLU 7 2HB GLU 7 -7.350 7.349 -9.697 56 HG2 GLU 7 1HG GLU 7 -10.300 7.880 -9.479 57 HG3 GLU 7 2HG GLU 7 -9.061 8.977 -10.080 58 H LEU 8 H LEU 8 -8.567 5.302 -6.656 59 HA LEU 8 HA LEU 8 -5.822 4.762 -6.254 60 HB2 LEU 8 1HB LEU 8 -7.460 5.635 -4.561 61 HB3 LEU 8 2HB LEU 8 -8.128 4.021 -4.456 62 HG LEU 8 HG LEU 8 -6.457 4.787 -2.661 63 HD11 LEU 8 1HD1 LEU 8 -5.490 2.535 -2.474 64 HD12 LEU 8 2HD1 LEU 8 -6.066 2.178 -4.102 65 HD13 LEU 8 3HD1 LEU 8 -7.221 2.505 -2.811 66 HD21 LEU 8 1HD2 LEU 8 -4.123 4.481 -3.154 67 HD22 LEU 8 2HD2 LEU 8 -4.804 5.687 -4.247 68 HD23 LEU 8 3HD2 LEU 8 -4.502 4.047 -4.821 69 H LEU 9 H LEU 9 -8.672 2.690 -6.537 70 HA LEU 9 HA LEU 9 -7.369 0.245 -6.083 71 HB2 LEU 9 1HB LEU 9 -9.905 1.052 -7.421 72 HB3 LEU 9 2HB LEU 9 -9.323 -0.582 -7.648 73 HG LEU 9 HG LEU 9 -11.004 -0.320 -5.819 74 HD11 LEU 9 1HD1 LEU 9 -9.796 -1.706 -4.208 75 HD12 LEU 9 2HD1 LEU 9 -8.278 -1.300 -5.010 76 HD13 LEU 9 3HD1 LEU 9 -9.509 -2.226 -5.868 77 HD21 LEU 9 1HD2 LEU 9 -8.761 1.093 -4.396 78 HD22 LEU 9 2HD2 LEU 9 -10.323 0.641 -3.711 79 HD23 LEU 9 3HD2 LEU 9 -10.236 1.855 -4.988 80 H GLU 10 H GLU 10 -7.837 2.128 -9.034 81 HA GLU 10 HA GLU 10 -6.683 0.175 -10.746 82 HB2 GLU 10 1HB GLU 10 -6.916 3.159 -11.144 83 HB3 GLU 10 2HB GLU 10 -6.519 1.989 -12.396 84 HG2 GLU 10 1HG GLU 10 -8.757 0.898 -11.834 85 HG3 GLU 10 2HG GLU 10 -9.118 2.386 -10.960 86 H ARG 11 H ARG 11 -5.412 2.766 -8.789 87 HA ARG 11 HA ARG 11 -2.813 2.912 -9.817 88 HB2 ARG 11 1HB ARG 11 -3.366 4.658 -8.394 89 HB3 ARG 11 2HB ARG 11 -4.118 3.598 -7.216 90 HG2 ARG 11 1HG ARG 11 -2.094 4.604 -6.345 91 HG3 ARG 11 2HG ARG 11 -1.937 2.854 -6.464 92 HD2 ARG 11 1HD ARG 11 0.099 3.757 -7.225 93 HD3 ARG 11 2HD ARG 11 -0.771 3.225 -8.657 94 HE ARG 11 HE ARG 11 -1.140 6.008 -8.027 95 HH11 ARG 11 1HH1 ARG 11 0.866 3.646 -9.655 96 HH12 ARG 11 2HH1 ARG 11 1.581 4.814 -10.728 97 HH21 ARG 11 1HH2 ARG 11 -0.144 7.561 -9.374 98 HH22 ARG 11 2HH2 ARG 11 1.004 7.039 -10.574 99 H ILE 12 H ILE 12 -4.219 0.830 -7.314 100 HA ILE 12 HA ILE 12 -1.638 -0.457 -6.941 101 HB ILE 12 HB ILE 12 -2.686 -1.688 -5.118 102 HG12 ILE 12 1HG1 ILE 12 -5.192 -0.127 -5.797 103 HG13 ILE 12 2HG1 ILE 12 -4.971 -1.850 -6.086 104 HG21 ILE 12 1HG2 ILE 12 -1.699 0.488 -4.713 105 HG22 ILE 12 2HG2 ILE 12 -3.112 0.253 -3.679 106 HG23 ILE 12 3HG2 ILE 12 -3.229 1.272 -5.113 107 HD11 ILE 12 1HD1 ILE 12 -6.268 -1.436 -4.072 108 HD12 ILE 12 2HD1 ILE 12 -4.932 -0.501 -3.398 109 HD13 ILE 12 3HD1 ILE 12 -4.738 -2.230 -3.694 110 H GLY 13 H GLY 13 -4.417 -0.909 -8.813 111 HA2 GLY 13 1HA GLY 13 -4.539 -2.448 -10.575 112 HA3 GLY 13 2HA GLY 13 -3.289 -3.404 -9.796 113 H LEU 14 H LEU 14 -6.084 -2.284 -8.064 114 HA LEU 14 HA LEU 14 -7.133 -5.031 -8.068 115 HB2 LEU 14 1HB LEU 14 -6.872 -3.051 -5.844 116 HB3 LEU 14 2HB LEU 14 -8.165 -4.228 -5.807 117 HG LEU 14 HG LEU 14 -6.380 -5.068 -4.480 118 HD11 LEU 14 1HD1 LEU 14 -6.368 -6.483 -7.129 119 HD12 LEU 14 2HD1 LEU 14 -7.544 -6.711 -5.835 120 HD13 LEU 14 3HD1 LEU 14 -5.856 -7.160 -5.585 121 HD21 LEU 14 1HD2 LEU 14 -4.535 -3.775 -5.312 122 HD22 LEU 14 2HD2 LEU 14 -4.591 -4.632 -6.854 123 HD23 LEU 14 3HD2 LEU 14 -4.145 -5.493 -5.380 124 H GLU 15 H GLU 15 -7.744 -2.848 -9.867 125 HA GLU 15 HA GLU 15 -10.156 -1.575 -9.265 126 HB2 GLU 15 1HB GLU 15 -10.407 -1.234 -11.651 127 HB3 GLU 15 2HB GLU 15 -8.732 -0.980 -11.183 128 HG2 GLU 15 1HG GLU 15 -8.115 -3.138 -12.039 129 HG3 GLU 15 2HG GLU 15 -9.800 -3.514 -12.394 130 H GLU 16 H GLU 16 -9.458 -4.827 -10.014 131 HA GLU 16 HA GLU 16 -11.875 -5.815 -10.961 132 HB2 GLU 16 1HB GLU 16 -11.149 -7.958 -9.952 133 HB3 GLU 16 2HB GLU 16 -9.866 -7.175 -10.862 134 HG2 GLU 16 1HG GLU 16 -8.873 -6.359 -8.808 135 HG3 GLU 16 2HG GLU 16 -10.190 -7.063 -7.874 136 H HIS 17 H HIS 17 -11.071 -4.525 -7.883 137 HA HIS 17 HA HIS 17 -13.569 -5.600 -6.760 138 HB2 HIS 17 1HB HIS 17 -10.911 -5.139 -5.436 139 HB3 HIS 17 2HB HIS 17 -12.397 -5.301 -4.512 140 HD1 HIS 17 HD1 HIS 17 -13.795 -7.628 -5.562 141 HD2 HIS 17 HD2 HIS 17 -9.640 -7.500 -5.457 142 HE1 HIS 17 HE1 HIS 17 -13.043 -10.023 -5.661 143 HE2 HIS 17 HE2 HIS 17 -10.538 -9.895 -5.859 144 H THR 18 H THR 18 -12.573 -2.905 -8.086 145 HA THR 18 HA THR 18 -12.850 -0.885 -6.196 146 HB THR 18 HB THR 18 -13.942 -0.690 -8.992 147 HG1 THR 18 HG1 THR 18 -11.963 -0.939 -9.666 148 HG21 THR 18 1HG2 THR 18 -13.207 1.665 -8.729 149 HG22 THR 18 2HG2 THR 18 -12.787 1.307 -7.054 150 HG23 THR 18 3HG2 THR 18 -14.465 1.193 -7.589 151 H SER 19 H SER 19 -15.340 -2.472 -8.160 152 HA SER 19 HA SER 19 -17.529 -1.081 -7.085 153 HB2 SER 19 1HB SER 19 -17.512 -3.890 -8.193 154 HB3 SER 19 2HB SER 19 -18.888 -2.791 -8.102 155 HG SER 19 HG SER 19 -18.275 -1.969 -9.924 156 H THR 20 H THR 20 -15.817 -3.980 -6.067 157 HA THR 20 HA THR 20 -17.597 -4.923 -4.136 158 HB THR 20 HB THR 20 -14.594 -4.997 -3.855 159 HG1 THR 20 HG1 THR 20 -16.305 -6.450 -5.597 160 HG21 THR 20 1HG2 THR 20 -15.035 -7.156 -2.782 161 HG22 THR 20 2HG2 THR 20 -16.765 -6.927 -3.037 162 HG23 THR 20 3HG2 THR 20 -15.882 -5.845 -1.960 163 H LEU 21 H LEU 21 -14.812 -2.741 -3.778 164 HA LEU 21 HA LEU 21 -15.287 -2.091 -1.082 165 HB2 LEU 21 1HB LEU 21 -13.772 -0.784 -3.313 166 HB3 LEU 21 2HB LEU 21 -13.976 0.059 -1.798 167 HG LEU 21 HG LEU 21 -11.883 -0.920 -1.594 168 HD11 LEU 21 1HD1 LEU 21 -13.698 -2.981 -0.379 169 HD12 LEU 21 2HD1 LEU 21 -13.343 -1.403 0.327 170 HD13 LEU 21 3HD1 LEU 21 -12.052 -2.587 0.114 171 HD21 LEU 21 1HD2 LEU 21 -12.995 -3.470 -2.739 172 HD22 LEU 21 2HD2 LEU 21 -11.336 -3.212 -2.198 173 HD23 LEU 21 3HD2 LEU 21 -11.962 -2.314 -3.582 174 H LEU 22 H LEU 22 -16.103 -0.392 -4.076 175 HA LEU 22 HA LEU 22 -17.271 1.885 -3.064 176 HB2 LEU 22 1HB LEU 22 -16.727 1.302 -5.456 177 HB3 LEU 22 2HB LEU 22 -18.217 0.382 -5.493 178 HG LEU 22 HG LEU 22 -19.446 2.500 -4.947 179 HD11 LEU 22 1HD1 LEU 22 -18.282 4.612 -5.359 180 HD12 LEU 22 2HD1 LEU 22 -16.762 3.735 -5.540 181 HD13 LEU 22 3HD1 LEU 22 -17.594 3.746 -3.986 182 HD21 LEU 22 1HD2 LEU 22 -17.818 2.455 -7.483 183 HD22 LEU 22 2HD2 LEU 22 -19.313 3.357 -7.230 184 HD23 LEU 22 3HD2 LEU 22 -19.330 1.594 -7.208 185 H LEU 23 H LEU 23 -18.871 -1.193 -3.831 186 HA LEU 23 HA LEU 23 -21.474 -0.285 -3.151 187 HB2 LEU 23 1HB LEU 23 -20.381 -3.079 -3.423 188 HB3 LEU 23 2HB LEU 23 -22.080 -2.675 -3.299 189 HG LEU 23 HG LEU 23 -20.234 -1.871 -5.548 190 HD11 LEU 23 1HD1 LEU 23 -20.762 -4.238 -5.584 191 HD12 LEU 23 2HD1 LEU 23 -21.597 -3.397 -6.890 192 HD13 LEU 23 3HD1 LEU 23 -22.481 -3.874 -5.442 193 HD21 LEU 23 1HD2 LEU 23 -22.276 -1.060 -6.639 194 HD22 LEU 23 2HD2 LEU 23 -21.926 -0.176 -5.154 195 HD23 LEU 23 3HD2 LEU 23 -23.190 -1.406 -5.171 196 H ASN 24 H ASN 24 -18.855 -1.631 -1.334 197 HA ASN 24 HA ASN 24 -20.630 -2.287 0.884 198 HB2 ASN 24 1HB ASN 24 -17.803 -3.009 0.222 199 HB3 ASN 24 2HB ASN 24 -18.389 -3.162 1.875 200 HD21 ASN 24 1HD2 ASN 24 -18.540 -4.381 -1.340 201 HD22 ASN 24 2HD2 ASN 24 -19.506 -5.778 -0.997 202 H GLY 25 H GLY 25 -19.601 0.465 -0.070 203 HA2 GLY 25 1HA GLY 25 -20.061 2.311 1.377 204 HA3 GLY 25 2HA GLY 25 -19.402 1.384 2.714 205 H TYR 26 H TYR 26 -17.283 0.770 0.397 206 HA TYR 26 HA TYR 26 -15.485 2.851 1.344 207 HB2 TYR 26 1HB TYR 26 -15.005 0.362 -0.284 208 HB3 TYR 26 2HB TYR 26 -13.739 1.477 0.225 209 HD1 TYR 26 HD1 TYR 26 -13.411 1.832 2.710 210 HD2 TYR 26 HD2 TYR 26 -15.725 -1.358 1.123 211 HE1 TYR 26 HE1 TYR 26 -13.204 0.634 4.839 212 HE2 TYR 26 HE2 TYR 26 -15.529 -2.570 3.253 213 HH TYR 26 HH TYR 26 -14.566 -1.129 6.082 214 H GLN 27 H GLN 27 -16.395 4.582 0.225 215 HA GLN 27 HA GLN 27 -16.226 4.429 -2.702 216 HB2 GLN 27 1HB GLN 27 -17.807 6.411 -1.079 217 HB3 GLN 27 2HB GLN 27 -17.945 6.078 -2.801 218 HG2 GLN 27 1HG GLN 27 -18.643 3.752 -2.191 219 HG3 GLN 27 2HG GLN 27 -18.719 4.292 -0.520 220 HE21 GLN 27 1HE2 GLN 27 -20.797 3.262 -2.244 221 HE22 GLN 27 2HE2 GLN 27 -22.028 4.472 -2.300 222 H THR 28 H THR 28 -14.934 5.905 0.072 223 HA THR 28 HA THR 28 -13.474 7.787 -1.647 224 HB THR 28 HB THR 28 -13.357 9.380 0.178 225 HG1 THR 28 HG1 THR 28 -15.081 7.627 1.641 226 HG21 THR 28 1HG2 THR 28 -16.178 8.433 -0.330 227 HG22 THR 28 2HG2 THR 28 -15.263 9.583 -1.309 228 HG23 THR 28 3HG2 THR 28 -15.740 10.008 0.335 229 H LEU 29 H LEU 29 -11.373 8.471 -0.629 230 HA LEU 29 HA LEU 29 -9.839 6.186 0.071 231 HB2 LEU 29 1HB LEU 29 -9.127 9.112 0.313 232 HB3 LEU 29 2HB LEU 29 -7.996 7.768 0.323 233 HG LEU 29 HG LEU 29 -9.727 8.607 -2.006 234 HD11 LEU 29 1HD1 LEU 29 -7.627 9.238 -3.065 235 HD12 LEU 29 2HD1 LEU 29 -6.753 8.811 -1.592 236 HD13 LEU 29 3HD1 LEU 29 -7.898 10.153 -1.580 237 HD21 LEU 29 1HD2 LEU 29 -8.509 6.934 -3.281 238 HD22 LEU 29 2HD2 LEU 29 -9.388 6.192 -1.943 239 HD23 LEU 29 3HD2 LEU 29 -7.646 6.438 -1.826 240 H GLU 30 H GLU 30 -11.504 8.663 1.835 241 HA GLU 30 HA GLU 30 -10.372 8.173 4.387 242 HB2 GLU 30 1HB GLU 30 -13.037 9.326 3.567 243 HB3 GLU 30 2HB GLU 30 -12.479 9.255 5.233 244 HG2 GLU 30 1HG GLU 30 -10.566 10.655 4.652 245 HG3 GLU 30 2HG GLU 30 -11.130 10.727 2.984 246 H ASP 31 H ASP 31 -12.894 6.639 2.523 247 HA ASP 31 HA ASP 31 -13.814 5.007 4.708 248 HB2 ASP 31 1HB ASP 31 -14.218 4.711 1.724 249 HB3 ASP 31 2HB ASP 31 -14.977 3.697 2.941 250 H PHE 32 H PHE 32 -11.743 4.583 1.883 251 HA PHE 32 HA PHE 32 -11.349 1.825 2.201 252 HB2 PHE 32 1HB PHE 32 -10.941 3.143 0.113 253 HB3 PHE 32 2HB PHE 32 -9.461 3.748 0.849 254 HD1 PHE 32 HD1 PHE 32 -7.561 2.275 1.198 255 HD2 PHE 32 HD2 PHE 32 -11.115 0.856 -0.651 256 HE1 PHE 32 HE1 PHE 32 -6.354 0.297 0.405 257 HE2 PHE 32 HE2 PHE 32 -9.906 -1.132 -1.451 258 HZ PHE 32 HZ PHE 32 -7.520 -1.411 -0.921 259 H LYS 33 H LYS 33 -9.713 4.555 3.684 260 HA LYS 33 HA LYS 33 -7.437 3.110 4.542 261 HB2 LYS 33 1HB LYS 33 -7.117 4.924 6.181 262 HB3 LYS 33 2HB LYS 33 -7.395 5.520 4.553 263 HG2 LYS 33 1HG LYS 33 -9.591 6.201 5.072 264 HG3 LYS 33 2HG LYS 33 -9.580 5.314 6.596 265 HD2 LYS 33 1HD LYS 33 -9.307 7.677 7.025 266 HD3 LYS 33 2HD LYS 33 -7.825 6.818 7.438 267 HE2 LYS 33 1HE LYS 33 -6.947 7.472 5.169 268 HE3 LYS 33 2HE LYS 33 -8.362 8.508 5.005 269 HZ1 LYS 33 1HZ LYS 33 -7.671 9.718 6.973 270 HZ2 LYS 33 2HZ LYS 33 -6.431 9.736 5.820 271 HZ3 LYS 33 3HZ LYS 33 -6.326 8.712 7.164 272 H GLU 34 H GLU 34 -10.642 2.816 5.413 273 HA GLU 34 HA GLU 34 -10.056 1.750 8.081 274 HB2 GLU 34 1HB GLU 34 -12.712 2.165 6.704 275 HB3 GLU 34 2HB GLU 34 -12.473 1.717 8.384 276 HG2 GLU 34 1HG GLU 34 -11.537 4.296 7.164 277 HG3 GLU 34 2HG GLU 34 -13.059 4.097 8.026 278 H LEU 35 H LEU 35 -9.895 0.695 5.058 279 HA LEU 35 HA LEU 35 -11.456 -1.683 5.078 280 HB2 LEU 35 1HB LEU 35 -10.742 -0.472 3.046 281 HB3 LEU 35 2HB LEU 35 -9.082 -0.893 3.389 282 HG LEU 35 HG LEU 35 -10.308 -2.205 1.583 283 HD11 LEU 35 1HD1 LEU 35 -9.124 -4.239 2.114 284 HD12 LEU 35 2HD1 LEU 35 -8.996 -3.756 3.805 285 HD13 LEU 35 3HD1 LEU 35 -8.141 -2.843 2.559 286 HD21 LEU 35 1HD2 LEU 35 -12.378 -2.550 2.845 287 HD22 LEU 35 2HD2 LEU 35 -11.499 -3.553 4.000 288 HD23 LEU 35 3HD2 LEU 35 -11.662 -4.074 2.323 289 H ARG 36 H ARG 36 -10.966 -3.674 5.768 290 HA ARG 36 HA ARG 36 -8.260 -4.158 6.786 291 HB2 ARG 36 1HB ARG 36 -10.857 -4.841 8.170 292 HB3 ARG 36 2HB ARG 36 -9.271 -5.368 8.709 293 HG2 ARG 36 1HG ARG 36 -10.243 -2.522 8.532 294 HG3 ARG 36 2HG ARG 36 -9.998 -3.464 10.005 295 HD2 ARG 36 1HD ARG 36 -7.628 -3.604 9.568 296 HD3 ARG 36 2HD ARG 36 -7.837 -2.789 8.022 297 HE ARG 36 HE ARG 36 -8.722 -1.270 10.308 298 HH11 ARG 36 1HH1 ARG 36 -6.106 -2.043 8.142 299 HH12 ARG 36 2HH1 ARG 36 -5.186 -0.612 8.494 300 HH21 ARG 36 1HH2 ARG 36 -7.548 0.657 10.766 301 HH22 ARG 36 2HH2 ARG 36 -6.025 0.930 9.984 302 H GLU 37 H GLU 37 -7.793 -6.494 7.127 303 HA GLU 37 HA GLU 37 -8.380 -7.912 4.756 304 HB2 GLU 37 1HB GLU 37 -6.278 -8.234 5.958 305 HB3 GLU 37 2HB GLU 37 -7.153 -8.894 7.334 306 HG2 GLU 37 1HG GLU 37 -7.889 -10.774 5.990 307 HG3 GLU 37 2HG GLU 37 -7.067 -10.102 4.582 308 H THR 38 H THR 38 -9.542 -8.189 8.072 309 HA THR 38 HA THR 38 -11.188 -10.426 7.713 310 HB THR 38 HB THR 38 -11.647 -8.084 9.570 311 HG1 THR 38 HG1 THR 38 -10.575 -10.198 10.798 312 HG21 THR 38 1HG2 THR 38 -13.585 -9.546 9.400 313 HG22 THR 38 2HG2 THR 38 -12.808 -9.743 10.972 314 HG23 THR 38 3HG2 THR 38 -12.571 -10.955 9.711 315 H HIS 39 H HIS 39 -11.534 -7.104 6.794 316 HA HIS 39 HA HIS 39 -14.353 -7.228 6.267 317 HB2 HIS 39 1HB HIS 39 -12.248 -5.253 5.361 318 HB3 HIS 39 2HB HIS 39 -13.971 -5.082 5.041 319 HD1 HIS 39 HD1 HIS 39 -13.333 -2.759 6.437 320 HD2 HIS 39 HD2 HIS 39 -13.647 -6.315 8.567 321 HE1 HIS 39 HE1 HIS 39 -13.511 -2.088 8.851 322 HE2 HIS 39 HE2 HIS 39 -13.759 -4.250 10.125 323 H LEU 40 H LEU 40 -11.376 -7.675 4.467 324 HA LEU 40 HA LEU 40 -12.545 -8.087 1.928 325 HB2 LEU 40 1HB LEU 40 -9.938 -8.639 3.200 326 HB3 LEU 40 2HB LEU 40 -10.340 -9.634 1.816 327 HG LEU 40 HG LEU 40 -10.459 -7.748 0.378 328 HD11 LEU 40 1HD1 LEU 40 -11.628 -6.265 1.954 329 HD12 LEU 40 2HD1 LEU 40 -10.298 -5.476 1.111 330 HD13 LEU 40 3HD1 LEU 40 -10.098 -5.994 2.787 331 HD21 LEU 40 1HD2 LEU 40 -8.222 -8.490 0.808 332 HD22 LEU 40 2HD2 LEU 40 -8.128 -7.494 2.257 333 HD23 LEU 40 3HD2 LEU 40 -8.230 -6.734 0.670 334 H ASN 41 H ASN 41 -11.892 -10.211 4.647 335 HA ASN 41 HA ASN 41 -12.722 -12.635 3.551 336 HB2 ASN 41 1HB ASN 41 -12.963 -11.511 6.339 337 HB3 ASN 41 2HB ASN 41 -13.483 -13.142 5.942 338 HD21 ASN 41 1HD2 ASN 41 -11.960 -13.971 7.391 339 HD22 ASN 41 2HD2 ASN 41 -10.279 -14.033 6.999 340 H GLU 42 H GLU 42 -14.542 -9.928 4.812 341 HA GLU 42 HA GLU 42 -17.119 -11.128 4.573 342 HB2 GLU 42 1HB GLU 42 -16.293 -8.229 4.731 343 HB3 GLU 42 2HB GLU 42 -17.934 -8.827 4.919 344 HG2 GLU 42 1HG GLU 42 -15.623 -9.537 6.704 345 HG3 GLU 42 2HG GLU 42 -16.834 -8.307 7.052 346 H LEU 43 H LEU 43 -15.125 -9.032 2.583 347 HA LEU 43 HA LEU 43 -17.114 -8.636 0.556 348 HB2 LEU 43 1HB LEU 43 -14.145 -8.158 0.382 349 HB3 LEU 43 2HB LEU 43 -15.388 -7.443 -0.622 350 HG LEU 43 HG LEU 43 -14.986 -6.919 2.317 351 HD11 LEU 43 1HD1 LEU 43 -14.287 -4.713 1.637 352 HD12 LEU 43 2HD1 LEU 43 -14.517 -5.138 -0.058 353 HD13 LEU 43 3HD1 LEU 43 -13.261 -5.937 0.888 354 HD21 LEU 43 1HD2 LEU 43 -17.327 -6.795 1.702 355 HD22 LEU 43 2HD2 LEU 43 -16.931 -5.714 0.365 356 HD23 LEU 43 3HD2 LEU 43 -16.678 -5.188 2.030 357 H ASN 44 H ASN 44 -15.219 -11.192 1.371 358 HA ASN 44 HA ASN 44 -14.722 -13.186 0.446 359 HB2 ASN 44 1HB ASN 44 -17.068 -12.911 -0.503 360 HB3 ASN 44 2HB ASN 44 -16.299 -12.376 -1.990 361 HD21 ASN 44 1HD2 ASN 44 -16.743 -15.070 0.188 362 HD22 ASN 44 2HD2 ASN 44 -16.274 -16.300 -0.934 363 H ILE 45 H ILE 45 -13.081 -10.863 0.076 364 HA ILE 45 HA ILE 45 -11.738 -11.401 -2.463 365 HB ILE 45 HB ILE 45 -11.043 -9.377 -0.339 366 HG12 ILE 45 1HG1 ILE 45 -12.455 -8.969 -2.981 367 HG13 ILE 45 2HG1 ILE 45 -13.259 -9.003 -1.417 368 HG21 ILE 45 1HG2 ILE 45 -9.131 -10.014 -1.712 369 HG22 ILE 45 2HG2 ILE 45 -9.638 -8.366 -2.083 370 HG23 ILE 45 3HG2 ILE 45 -10.059 -9.685 -3.176 371 HD11 ILE 45 1HD1 ILE 45 -11.147 -7.019 -2.221 372 HD12 ILE 45 2HD1 ILE 45 -12.086 -7.020 -0.727 373 HD13 ILE 45 3HD1 ILE 45 -12.886 -6.730 -2.272 374 H MET 46 H MET 46 -11.098 -13.518 -1.924 375 HA MET 46 HA MET 46 -9.551 -13.917 0.494 376 HB2 MET 46 1HB MET 46 -10.389 -15.910 -1.609 377 HB3 MET 46 2HB MET 46 -9.700 -16.292 -0.039 378 HG2 MET 46 1HG MET 46 -12.210 -14.695 -0.186 379 HG3 MET 46 2HG MET 46 -12.272 -16.433 -0.445 380 HE1 MET 46 1HE MET 46 -11.444 -13.534 1.923 381 HE2 MET 46 2HE MET 46 -9.942 -14.400 2.262 382 HE3 MET 46 3HE MET 46 -11.198 -14.296 3.494 383 H ASP 47 H ASP 47 -8.936 -13.152 -2.710 384 HA ASP 47 HA ASP 47 -6.558 -14.518 -3.277 385 HB2 ASP 47 1HB ASP 47 -7.586 -11.814 -4.105 386 HB3 ASP 47 2HB ASP 47 -6.051 -12.443 -4.689 387 HA PRO 48 HA PRO 48 -4.328 -13.088 0.271 388 HB2 PRO 48 1HB PRO 48 -2.040 -14.320 -1.140 389 HB3 PRO 48 2HB PRO 48 -2.670 -14.628 0.477 390 HG2 PRO 48 1HG PRO 48 -3.072 -16.369 -1.488 391 HG3 PRO 48 2HG PRO 48 -4.330 -16.036 -0.285 392 HD2 PRO 48 1HD PRO 48 -4.096 -15.066 -3.100 393 HD3 PRO 48 2HD PRO 48 -5.530 -15.599 -2.202 394 H GLN 49 H GLN 49 -2.593 -12.783 -2.855 395 HA GLN 49 HA GLN 49 -0.962 -10.655 -1.911 396 HB2 GLN 49 1HB GLN 49 -1.594 -11.663 -4.675 397 HB3 GLN 49 2HB GLN 49 -0.563 -10.269 -4.407 398 HG2 GLN 49 1HG GLN 49 0.973 -11.634 -3.108 399 HG3 GLN 49 2HG GLN 49 -0.065 -13.037 -3.338 400 HE21 GLN 49 1HE2 GLN 49 2.198 -10.874 -4.817 401 HE22 GLN 49 2HE2 GLN 49 2.466 -11.806 -6.246 402 H HIS 50 H HIS 50 -4.039 -10.863 -3.526 403 HA HIS 50 HA HIS 50 -4.263 -8.106 -4.181 404 HB2 HIS 50 1HB HIS 50 -6.380 -10.231 -3.804 405 HB3 HIS 50 2HB HIS 50 -6.700 -8.621 -4.431 406 HD1 HIS 50 HD1 HIS 50 -7.492 -9.624 -6.735 407 HD2 HIS 50 HD2 HIS 50 -3.540 -10.460 -5.732 408 HE1 HIS 50 HE1 HIS 50 -6.432 -10.531 -8.821 409 HE2 HIS 50 HE2 HIS 50 -4.040 -10.992 -8.211 410 H ARG 51 H ARG 51 -5.309 -10.091 -1.475 411 HA ARG 51 HA ARG 51 -6.455 -8.150 0.154 412 HB2 ARG 51 1HB ARG 51 -4.859 -10.632 0.759 413 HB3 ARG 51 2HB ARG 51 -5.522 -9.628 2.041 414 HG2 ARG 51 1HG ARG 51 -7.684 -10.213 1.564 415 HG3 ARG 51 2HG ARG 51 -7.322 -10.598 -0.119 416 HD2 ARG 51 1HD ARG 51 -7.817 -12.567 1.359 417 HD3 ARG 51 2HD ARG 51 -6.297 -12.643 0.475 418 HE ARG 51 HE ARG 51 -6.004 -11.560 3.116 419 HH11 ARG 51 1HH1 ARG 51 -6.236 -14.520 1.261 420 HH12 ARG 51 2HH1 ARG 51 -5.347 -15.463 2.416 421 HH21 ARG 51 1HH2 ARG 51 -4.840 -12.788 4.637 422 HH22 ARG 51 2HH2 ARG 51 -4.558 -14.481 4.343 423 H ALA 52 H ALA 52 -3.103 -9.259 0.016 424 HA ALA 52 HA ALA 52 -1.990 -7.629 1.934 425 HB1 ALA 52 1HB ALA 52 0.130 -8.024 0.791 426 HB2 ALA 52 2HB ALA 52 -0.738 -8.583 -0.635 427 HB3 ALA 52 3HB ALA 52 -0.836 -9.495 0.870 428 H LYS 53 H LYS 53 -2.496 -6.943 -1.513 429 HA LYS 53 HA LYS 53 -1.277 -4.396 -1.477 430 HB2 LYS 53 1HB LYS 53 -3.443 -5.376 -3.341 431 HB3 LYS 53 2HB LYS 53 -2.367 -4.014 -3.618 432 HG2 LYS 53 1HG LYS 53 -0.485 -5.773 -3.337 433 HG3 LYS 53 2HG LYS 53 -1.768 -6.935 -3.673 434 HD2 LYS 53 1HD LYS 53 -0.866 -6.533 -5.773 435 HD3 LYS 53 2HD LYS 53 -2.249 -5.438 -5.732 436 HE2 LYS 53 1HE LYS 53 -0.814 -3.582 -5.160 437 HE3 LYS 53 2HE LYS 53 0.580 -4.661 -5.049 438 HZ1 LYS 53 1HZ LYS 53 0.594 -3.509 -7.141 439 HZ2 LYS 53 2HZ LYS 53 -0.973 -4.030 -7.501 440 HZ3 LYS 53 3HZ LYS 53 0.296 -5.149 -7.423 441 H LEU 54 H LEU 54 -4.701 -5.344 -1.310 442 HA LEU 54 HA LEU 54 -5.800 -2.805 -1.113 443 HB2 LEU 54 1HB LEU 54 -6.722 -5.427 0.041 444 HB3 LEU 54 2HB LEU 54 -7.697 -3.971 0.053 445 HG LEU 54 HG LEU 54 -6.652 -5.244 -2.471 446 HD11 LEU 54 1HD1 LEU 54 -8.125 -6.819 -1.406 447 HD12 LEU 54 2HD1 LEU 54 -8.954 -6.074 -2.774 448 HD13 LEU 54 3HD1 LEU 54 -9.326 -5.557 -1.127 449 HD21 LEU 54 1HD2 LEU 54 -8.746 -3.144 -1.946 450 HD22 LEU 54 2HD2 LEU 54 -8.412 -3.873 -3.517 451 HD23 LEU 54 3HD2 LEU 54 -7.176 -2.902 -2.714 452 H LEU 55 H LEU 55 -4.631 -4.942 1.464 453 HA LEU 55 HA LEU 55 -5.391 -3.257 3.598 454 HB2 LEU 55 1HB LEU 55 -3.557 -5.574 3.292 455 HB3 LEU 55 2HB LEU 55 -3.388 -4.578 4.724 456 HG LEU 55 HG LEU 55 -4.788 -6.450 5.247 457 HD11 LEU 55 1HD1 LEU 55 -6.509 -4.004 4.941 458 HD12 LEU 55 2HD1 LEU 55 -5.337 -4.266 6.233 459 HD13 LEU 55 3HD1 LEU 55 -6.737 -5.329 6.081 460 HD21 LEU 55 1HD2 LEU 55 -6.898 -6.873 4.111 461 HD22 LEU 55 2HD2 LEU 55 -5.540 -7.008 2.995 462 HD23 LEU 55 3HD2 LEU 55 -6.559 -5.567 2.977 463 H THR 56 H THR 56 -2.408 -3.511 1.729 464 HA THR 56 HA THR 56 -0.888 -1.729 3.314 465 HB THR 56 HB THR 56 -0.596 -2.280 0.360 466 HG1 THR 56 HG1 THR 56 -0.442 -4.223 1.390 467 HG21 THR 56 1HG2 THR 56 1.741 -1.676 0.714 468 HG22 THR 56 2HG2 THR 56 1.405 -1.340 2.412 469 HG23 THR 56 3HG2 THR 56 0.680 -0.336 1.155 470 H ALA 57 H ALA 57 -2.923 -1.288 0.466 471 HA ALA 57 HA ALA 57 -2.458 1.444 0.102 472 HB1 ALA 57 1HB ALA 57 -4.677 1.413 -1.063 473 HB2 ALA 57 2HB ALA 57 -4.829 -0.277 -0.575 474 HB3 ALA 57 3HB ALA 57 -3.511 0.221 -1.632 475 H ALA 58 H ALA 58 -4.870 -0.284 2.035 476 HA ALA 58 HA ALA 58 -6.217 1.968 3.034 477 HB1 ALA 58 1HB ALA 58 -5.815 -0.699 4.385 478 HB2 ALA 58 2HB ALA 58 -7.065 -0.335 3.193 479 HB3 ALA 58 3HB ALA 58 -7.070 0.488 4.754 480 H GLU 59 H GLU 59 -3.484 0.125 4.303 481 HA GLU 59 HA GLU 59 -3.099 1.488 6.696 482 HB2 GLU 59 1HB GLU 59 -1.308 -0.074 4.880 483 HB3 GLU 59 2HB GLU 59 -0.629 0.746 6.274 484 HG2 GLU 59 1HG GLU 59 -2.781 -1.348 6.293 485 HG3 GLU 59 2HG GLU 59 -1.110 -1.541 6.819 486 H LEU 60 H LEU 60 -1.618 2.106 3.511 487 HA LEU 60 HA LEU 60 -0.172 4.357 4.434 488 HB2 LEU 60 1HB LEU 60 -0.696 3.111 1.827 489 HB3 LEU 60 2HB LEU 60 -0.382 4.836 1.777 490 HG LEU 60 HG LEU 60 1.746 4.468 2.966 491 HD11 LEU 60 1HD1 LEU 60 1.170 2.452 4.178 492 HD12 LEU 60 2HD1 LEU 60 2.617 2.200 3.199 493 HD13 LEU 60 3HD1 LEU 60 1.066 1.553 2.662 494 HD21 LEU 60 1HD2 LEU 60 1.266 2.985 0.406 495 HD22 LEU 60 2HD2 LEU 60 2.874 3.242 1.082 496 HD23 LEU 60 3HD2 LEU 60 1.879 4.624 0.620 497 H LEU 61 H LEU 61 -3.260 4.096 2.645 498 HA LEU 61 HA LEU 61 -3.707 6.834 2.344 499 HB2 LEU 61 1HB LEU 61 -5.675 4.589 2.708 500 HB3 LEU 61 2HB LEU 61 -6.145 6.225 2.303 501 HG LEU 61 HG LEU 61 -4.481 4.363 0.616 502 HD11 LEU 61 1HD1 LEU 61 -7.177 5.569 0.064 503 HD12 LEU 61 2HD1 LEU 61 -6.952 3.983 0.788 504 HD13 LEU 61 3HD1 LEU 61 -6.351 4.297 -0.836 505 HD21 LEU 61 1HD2 LEU 61 -3.672 6.631 0.344 506 HD22 LEU 61 2HD2 LEU 61 -5.320 7.217 0.111 507 HD23 LEU 61 3HD2 LEU 61 -4.587 6.145 -1.083 508 H LEU 62 H LEU 62 -4.013 4.817 5.136 509 HA LEU 62 HA LEU 62 -5.692 6.321 6.746 510 HB2 LEU 62 1HB LEU 62 -4.850 4.092 7.309 511 HB3 LEU 62 2HB LEU 62 -3.243 4.751 7.532 512 HG LEU 62 HG LEU 62 -4.021 6.053 9.450 513 HD11 LEU 62 1HD1 LEU 62 -6.291 5.614 10.352 514 HD12 LEU 62 2HD1 LEU 62 -6.677 4.760 8.859 515 HD13 LEU 62 3HD1 LEU 62 -6.296 6.481 8.817 516 HD21 LEU 62 1HD2 LEU 62 -4.428 4.182 10.970 517 HD22 LEU 62 2HD2 LEU 62 -3.157 3.801 9.807 518 HD23 LEU 62 3HD2 LEU 62 -4.778 3.136 9.593 519 H ASP 63 H ASP 63 -2.232 6.685 6.142 520 HA ASP 63 HA ASP 63 -2.261 9.166 7.723 521 HB2 ASP 63 1HB ASP 63 -0.074 7.245 7.004 522 HB3 ASP 63 2HB ASP 63 0.304 8.894 7.486 523 H TYR 64 H TYR 64 -1.796 7.897 4.553 524 HA TYR 64 HA TYR 64 -0.449 10.341 3.654 525 HB2 TYR 64 1HB TYR 64 -0.646 7.599 2.415 526 HB3 TYR 64 2HB TYR 64 0.156 8.968 1.663 527 HD1 TYR 64 HD1 TYR 64 2.245 9.841 2.595 528 HD2 TYR 64 HD2 TYR 64 0.393 6.365 4.180 529 HE1 TYR 64 HE1 TYR 64 4.343 9.246 3.712 530 HE2 TYR 64 HE2 TYR 64 2.483 5.753 5.305 531 HH TYR 64 HH TYR 64 5.074 7.889 5.659 532 H ASP 65 H ASP 65 -3.417 10.195 3.998 533 HA ASP 65 HA ASP 65 -4.458 9.865 1.336 534 HB2 ASP 65 1HB ASP 65 -6.627 10.509 2.269 535 HB3 ASP 65 2HB ASP 65 -5.854 9.259 3.232 536 H THR 66 H THR 66 -2.620 11.567 0.874 537 HA THR 66 HA THR 66 -2.025 13.590 0.053 538 HB THR 66 HB THR 66 -3.814 14.798 -1.253 539 HG1 THR 66 HG1 THR 66 -5.397 13.157 0.206 540 HG21 THR 66 1HG2 THR 66 -3.536 11.849 -1.797 541 HG22 THR 66 2HG2 THR 66 -2.347 13.077 -2.227 542 HG23 THR 66 3HG2 THR 66 -3.947 13.098 -2.972 543 H GLY 67 H GLY 67 -2.475 13.719 2.811 544 HA2 GLY 67 1HA GLY 67 -3.724 16.381 3.107 545 HA3 GLY 67 2HA GLY 67 -3.670 15.171 4.381 546 H CYS 68 H CYS 68 -0.945 15.749 2.329 547 HA CYS 68 HA CYS 68 1.168 16.462 2.716 548 HB2 CYS 68 1HB CYS 68 -0.463 18.414 4.276 549 HB3 CYS 68 2HB CYS 68 1.289 18.458 4.420 550 H GLU 69 H GLU 69 2.610 17.242 4.820 551 HA GLU 69 HA GLU 69 2.932 14.843 6.310 552 HB2 GLU 69 1HB GLU 69 4.231 17.555 6.648 553 HB3 GLU 69 2HB GLU 69 4.768 16.067 7.415 554 HG2 GLU 69 1HG GLU 69 5.294 15.101 5.267 555 HG3 GLU 69 2HG GLU 69 4.661 16.524 4.443 556 H1 GLY 1 1H GLY 1 1.822 6.850 11.085 557 H2 GLY 1 2H GLY 1 0.760 7.974 11.762 558 H3 GLY 1 3H GLY 1 2.306 7.769 12.415 559 HA2 GLY 1 2HA GLY 1 1.706 8.811 9.706 560 HA3 GLY 1 1HA GLY 1 2.168 9.790 11.089 561 HA PRO 2 HA PRO 2 6.066 7.297 9.755 562 HB2 PRO 2 1HB PRO 2 5.588 6.364 7.060 563 HB3 PRO 2 2HB PRO 2 5.995 5.424 8.496 564 HG2 PRO 2 1HG PRO 2 3.572 5.294 7.257 565 HG3 PRO 2 2HG PRO 2 3.805 4.981 8.986 566 HD2 PRO 2 1HD PRO 2 2.814 7.458 7.625 567 HD3 PRO 2 2HD PRO 2 2.231 6.681 9.115 568 H LYS 3 H LYS 3 7.449 8.893 9.363 569 HA LYS 3 HA LYS 3 7.068 10.548 6.976 570 HB2 LYS 3 1HB LYS 3 8.914 11.006 9.316 571 HB3 LYS 3 2HB LYS 3 8.565 12.139 8.024 572 HG2 LYS 3 1HG LYS 3 6.620 11.150 10.095 573 HG3 LYS 3 2HG LYS 3 7.377 12.739 10.045 574 HD2 LYS 3 1HD LYS 3 5.455 11.604 8.018 575 HD3 LYS 3 2HD LYS 3 5.107 12.863 9.202 576 HE2 LYS 3 1HE LYS 3 7.044 13.034 6.900 577 HE3 LYS 3 2HE LYS 3 5.491 13.854 7.033 578 HZ1 LYS 3 1HZ LYS 3 6.378 15.039 8.984 579 HZ2 LYS 3 2HZ LYS 3 7.239 15.376 7.564 580 HZ3 LYS 3 3HZ LYS 3 7.888 14.322 8.720 581 H THR 4 H THR 4 9.031 8.121 8.360 582 HA THR 4 HA THR 4 11.047 8.536 6.274 583 HB THR 4 HB THR 4 12.586 7.220 7.723 584 HG1 THR 4 HG1 THR 4 11.619 7.416 10.076 585 HG21 THR 4 1HG2 THR 4 12.670 9.654 7.726 586 HG22 THR 4 2HG2 THR 4 13.002 9.019 9.338 587 HG23 THR 4 3HG2 THR 4 11.420 9.707 8.969 588 H LEU 5 H LEU 5 12.219 6.409 5.765 589 HA LEU 5 HA LEU 5 10.357 4.710 4.522 590 HB2 LEU 5 1HB LEU 5 12.718 5.238 3.808 591 HB3 LEU 5 2HB LEU 5 13.274 4.160 5.068 592 HG LEU 5 HG LEU 5 13.123 3.328 2.617 593 HD11 LEU 5 1HD1 LEU 5 13.743 1.883 4.428 594 HD12 LEU 5 2HD1 LEU 5 12.573 1.050 3.401 595 HD13 LEU 5 3HD1 LEU 5 12.063 1.741 4.944 596 HD21 LEU 5 1HD2 LEU 5 10.271 2.971 3.514 597 HD22 LEU 5 2HD2 LEU 5 10.989 2.312 2.046 598 HD23 LEU 5 3HD2 LEU 5 10.828 4.058 2.242 599 H HIS 6 H HIS 6 12.440 4.294 7.348 600 HA HIS 6 HA HIS 6 11.873 1.674 8.009 601 HB2 HIS 6 1HB HIS 6 13.604 2.982 9.120 602 HB3 HIS 6 2HB HIS 6 12.385 4.011 9.852 603 HD1 HIS 6 HD1 HIS 6 11.296 3.207 12.007 604 HD2 HIS 6 HD2 HIS 6 13.778 0.361 10.253 605 HE1 HIS 6 HE1 HIS 6 11.543 1.367 13.703 606 HE2 HIS 6 HE2 HIS 6 12.960 -0.385 12.586 607 H GLU 7 H GLU 7 10.113 4.598 8.943 608 HA GLU 7 HA GLU 7 8.304 3.249 10.662 609 HB2 GLU 7 1HB GLU 7 7.966 5.914 9.286 610 HB3 GLU 7 2HB GLU 7 7.045 5.339 10.669 611 HG2 GLU 7 1HG GLU 7 9.977 6.001 10.588 612 HG3 GLU 7 2HG GLU 7 8.702 6.902 11.401 613 H LEU 8 H LEU 8 8.315 4.053 7.259 614 HA LEU 8 HA LEU 8 5.588 3.516 6.741 615 HB2 LEU 8 1HB LEU 8 7.186 4.798 5.285 616 HB3 LEU 8 2HB LEU 8 7.908 3.270 4.831 617 HG LEU 8 HG LEU 8 6.202 4.356 3.243 618 HD11 LEU 8 1HD1 LEU 8 5.313 2.168 2.563 619 HD12 LEU 8 2HD1 LEU 8 5.911 1.480 4.073 620 HD13 LEU 8 3HD1 LEU 8 7.046 2.125 2.888 621 HD21 LEU 8 1HD2 LEU 8 3.886 3.866 3.651 622 HD22 LEU 8 2HD2 LEU 8 4.530 4.823 4.986 623 HD23 LEU 8 3HD2 LEU 8 4.288 3.087 5.181 624 H LEU 9 H LEU 9 8.510 1.537 6.570 625 HA LEU 9 HA LEU 9 7.290 -0.793 5.588 626 HB2 LEU 9 1HB LEU 9 9.806 -0.213 7.076 627 HB3 LEU 9 2HB LEU 9 9.281 -1.876 6.937 628 HG LEU 9 HG LEU 9 10.943 -1.159 5.215 629 HD11 LEU 9 1HD1 LEU 9 9.778 -2.199 3.335 630 HD12 LEU 9 2HD1 LEU 9 8.249 -2.033 4.202 631 HD13 LEU 9 3HD1 LEU 9 9.516 -3.080 4.842 632 HD21 LEU 9 1HD2 LEU 9 8.644 0.449 4.130 633 HD22 LEU 9 2HD2 LEU 9 10.219 0.217 3.369 634 HD23 LEU 9 3HD2 LEU 9 10.092 1.116 4.880 635 H GLU 10 H GLU 10 7.706 0.410 8.882 636 HA GLU 10 HA GLU 10 6.630 -1.911 10.123 637 HB2 GLU 10 1HB GLU 10 6.758 0.921 11.164 638 HB3 GLU 10 2HB GLU 10 6.411 -0.508 12.128 639 HG2 GLU 10 1HG GLU 10 8.682 -1.364 11.346 640 HG3 GLU 10 2HG GLU 10 8.986 0.293 10.824 641 H ARG 11 H ARG 11 5.263 1.004 8.782 642 HA ARG 11 HA ARG 11 2.663 0.825 9.802 643 HB2 ARG 11 1HB ARG 11 3.150 2.859 8.797 644 HB3 ARG 11 2HB ARG 11 3.931 2.109 7.417 645 HG2 ARG 11 1HG ARG 11 1.868 3.212 6.785 646 HG3 ARG 11 2HG ARG 11 1.774 1.475 6.515 647 HD2 ARG 11 1HD ARG 11 -0.290 2.112 7.451 648 HD3 ARG 11 2HD ARG 11 0.604 1.312 8.735 649 HE ARG 11 HE ARG 11 0.868 4.178 8.725 650 HH11 ARG 11 1HH1 ARG 11 -1.035 1.443 9.806 651 HH12 ARG 11 2HH1 ARG 11 -1.792 2.327 11.100 652 HH21 ARG 11 1HH2 ARG 11 -0.172 5.367 10.380 653 HH22 ARG 11 2HH2 ARG 11 -1.288 4.550 11.439 654 H ILE 12 H ILE 12 4.132 -0.602 6.905 655 HA ILE 12 HA ILE 12 1.595 -1.864 6.249 656 HB ILE 12 HB ILE 12 2.676 -2.630 4.205 657 HG12 ILE 12 1HG1 ILE 12 5.127 -1.168 5.218 658 HG13 ILE 12 2HG1 ILE 12 4.971 -2.919 5.121 659 HG21 ILE 12 1HG2 ILE 12 1.611 -0.456 4.284 660 HG22 ILE 12 2HG2 ILE 12 3.025 -0.407 3.228 661 HG23 ILE 12 3HG2 ILE 12 3.114 0.276 4.851 662 HD11 ILE 12 1HD1 ILE 12 6.242 -2.030 3.250 663 HD12 ILE 12 2HD1 ILE 12 4.871 -1.016 2.794 664 HD13 ILE 12 3HD1 ILE 12 4.738 -2.774 2.704 665 H GLY 13 H GLY 13 4.394 -2.619 7.984 666 HA2 GLY 13 1HA GLY 13 4.576 -4.496 9.367 667 HA3 GLY 13 2HA GLY 13 3.357 -5.303 8.394 668 H LEU 14 H LEU 14 6.103 -3.740 6.957 669 HA LEU 14 HA LEU 14 7.244 -6.385 6.363 670 HB2 LEU 14 1HB LEU 14 6.906 -3.972 4.629 671 HB3 LEU 14 2HB LEU 14 8.241 -5.065 4.339 672 HG LEU 14 HG LEU 14 6.481 -5.651 2.852 673 HD11 LEU 14 1HD1 LEU 14 6.536 -7.619 5.121 674 HD12 LEU 14 2HD1 LEU 14 7.709 -7.511 3.809 675 HD13 LEU 14 3HD1 LEU 14 6.037 -7.954 3.464 676 HD21 LEU 14 1HD2 LEU 14 4.593 -4.646 3.941 677 HD22 LEU 14 2HD2 LEU 14 4.691 -5.815 5.258 678 HD23 LEU 14 3HD2 LEU 14 4.267 -6.350 3.632 679 H GLU 15 H GLU 15 7.789 -4.620 8.601 680 HA GLU 15 HA GLU 15 10.157 -3.172 8.296 681 HB2 GLU 15 1HB GLU 15 10.413 -3.351 10.699 682 HB3 GLU 15 2HB GLU 15 8.725 -3.061 10.297 683 HG2 GLU 15 1HG GLU 15 8.198 -5.377 10.653 684 HG3 GLU 15 2HG GLU 15 9.895 -5.757 10.926 685 H GLU 16 H GLU 16 9.573 -6.529 8.304 686 HA GLU 16 HA GLU 16 12.034 -7.615 9.019 687 HB2 GLU 16 1HB GLU 16 11.376 -9.517 7.581 688 HB3 GLU 16 2HB GLU 16 10.067 -8.990 8.632 689 HG2 GLU 16 1HG GLU 16 9.030 -7.804 6.798 690 HG3 GLU 16 2HG GLU 16 10.375 -8.221 5.739 691 H HIS 17 H HIS 17 11.172 -5.698 6.312 692 HA HIS 17 HA HIS 17 13.694 -6.422 4.982 693 HB2 HIS 17 1HB HIS 17 11.016 -5.776 3.781 694 HB3 HIS 17 2HB HIS 17 12.504 -5.678 2.849 695 HD1 HIS 17 HD1 HIS 17 13.991 -8.132 3.366 696 HD2 HIS 17 HD2 HIS 17 9.830 -8.126 3.287 697 HE1 HIS 17 HE1 HIS 17 13.317 -10.516 2.946 698 HE2 HIS 17 HE2 HIS 17 10.808 -10.516 3.105 699 H THR 18 H THR 18 12.630 -4.127 6.869 700 HA THR 18 HA THR 18 12.810 -1.729 5.464 701 HB THR 18 HB THR 18 13.909 -2.115 8.239 702 HG1 THR 18 HG1 THR 18 11.943 -2.620 8.800 703 HG21 THR 18 1HG2 THR 18 13.095 0.216 8.496 704 HG22 THR 18 2HG2 THR 18 12.682 0.218 6.782 705 HG23 THR 18 3HG2 THR 18 14.364 0.045 7.284 706 H SER 19 H SER 19 15.365 -3.621 7.038 707 HA SER 19 HA SER 19 17.499 -1.951 6.300 708 HB2 SER 19 1HB SER 19 17.590 -4.935 6.757 709 HB3 SER 19 2HB SER 19 18.924 -3.795 6.915 710 HG SER 19 HG SER 19 18.282 -3.370 8.861 711 H THR 20 H THR 20 15.880 -4.615 4.668 712 HA THR 20 HA THR 20 17.681 -5.048 2.579 713 HB THR 20 HB THR 20 14.681 -5.161 2.278 714 HG1 THR 20 HG1 THR 20 16.448 -6.902 3.656 715 HG21 THR 20 1HG2 THR 20 15.194 -7.017 0.759 716 HG22 THR 20 2HG2 THR 20 16.916 -6.786 1.062 717 HG23 THR 20 3HG2 THR 20 15.988 -5.526 0.247 718 H LEU 21 H LEU 21 14.823 -2.938 2.702 719 HA LEU 21 HA LEU 21 15.264 -1.693 0.218 720 HB2 LEU 21 1HB LEU 21 13.713 -0.962 2.675 721 HB3 LEU 21 2HB LEU 21 13.881 0.198 1.383 722 HG LEU 21 HG LEU 21 11.823 -0.784 0.962 723 HD11 LEU 21 1HD1 LEU 21 13.703 -2.469 -0.669 724 HD12 LEU 21 2HD1 LEU 21 13.290 -0.789 -1.016 725 HD13 LEU 21 3HD1 LEU 21 12.041 -2.034 -1.068 726 HD21 LEU 21 1HD2 LEU 21 13.027 -3.483 1.527 727 HD22 LEU 21 2HD2 LEU 21 11.358 -3.172 1.051 728 HD23 LEU 21 3HD2 LEU 21 11.960 -2.575 2.599 729 H LEU 22 H LEU 22 16.034 -0.669 3.515 730 HA LEU 22 HA LEU 22 17.117 1.817 3.030 731 HB2 LEU 22 1HB LEU 22 16.604 0.703 5.234 732 HB3 LEU 22 2HB LEU 22 18.125 -0.151 5.073 733 HG LEU 22 HG LEU 22 19.278 2.077 5.009 734 HD11 LEU 22 1HD1 LEU 22 18.047 4.006 5.871 735 HD12 LEU 22 2HD1 LEU 22 16.557 3.059 5.855 736 HD13 LEU 22 3HD1 LEU 22 17.377 3.437 4.342 737 HD21 LEU 22 1HD2 LEU 22 17.668 1.420 7.471 738 HD22 LEU 22 2HD2 LEU 22 19.127 2.409 7.424 739 HD23 LEU 22 3HD2 LEU 22 19.209 0.695 7.016 740 H LEU 23 H LEU 23 18.823 -1.299 3.107 741 HA LEU 23 HA LEU 23 21.391 -0.176 2.651 742 HB2 LEU 23 1HB LEU 23 20.397 -2.996 2.299 743 HB3 LEU 23 2HB LEU 23 22.081 -2.517 2.268 744 HG LEU 23 HG LEU 23 20.222 -2.294 4.635 745 HD11 LEU 23 1HD1 LEU 23 20.836 -4.587 4.150 746 HD12 LEU 23 2HD1 LEU 23 21.648 -4.027 5.611 747 HD13 LEU 23 3HD1 LEU 23 22.540 -4.139 4.093 748 HD21 LEU 23 1HD2 LEU 23 22.239 -1.667 5.884 749 HD22 LEU 23 2HD2 LEU 23 21.850 -0.492 4.628 750 HD23 LEU 23 3HD2 LEU 23 23.157 -1.650 4.379 751 H ASN 24 H ASN 24 18.814 -1.182 0.574 752 HA ASN 24 HA ASN 24 20.601 -1.270 -1.727 753 HB2 ASN 24 1HB ASN 24 17.803 -2.215 -1.253 754 HB3 ASN 24 2HB ASN 24 18.391 -1.984 -2.896 755 HD21 ASN 24 1HD2 ASN 24 18.593 -3.872 -0.023 756 HD22 ASN 24 2HD2 ASN 24 19.596 -5.131 -0.663 757 H GLY 25 H GLY 25 19.478 1.165 -0.197 758 HA2 GLY 25 1HA GLY 25 19.869 3.297 -1.204 759 HA3 GLY 25 2HA GLY 25 19.232 2.664 -2.713 760 H TYR 26 H TYR 26 17.147 1.485 -0.597 761 HA TYR 26 HA TYR 26 15.276 3.662 -1.065 762 HB2 TYR 26 1HB TYR 26 14.891 0.862 -0.023 763 HB3 TYR 26 2HB TYR 26 13.584 2.016 -0.277 764 HD1 TYR 26 HD1 TYR 26 13.235 2.900 -2.625 765 HD2 TYR 26 HD2 TYR 26 15.662 -0.480 -1.770 766 HE1 TYR 26 HE1 TYR 26 13.058 2.191 -4.966 767 HE2 TYR 26 HE2 TYR 26 15.495 -1.203 -4.112 768 HH TYR 26 HH TYR 26 14.462 0.790 -6.558 769 H GLN 27 H GLN 27 16.125 5.141 0.414 770 HA GLN 27 HA GLN 27 15.979 4.338 3.235 771 HB2 GLN 27 1HB GLN 27 17.481 6.681 2.087 772 HB3 GLN 27 2HB GLN 27 17.641 5.988 3.695 773 HG2 GLN 27 1HG GLN 27 18.418 3.876 2.593 774 HG3 GLN 27 2HG GLN 27 18.461 4.768 1.080 775 HE21 GLN 27 1HE2 GLN 27 20.597 3.471 2.549 776 HE22 GLN 27 2HE2 GLN 27 21.777 4.693 2.870 777 H THR 28 H THR 28 14.623 6.344 0.852 778 HA THR 28 HA THR 28 13.105 7.747 2.942 779 HB THR 28 HB THR 28 12.918 9.696 1.512 780 HG1 THR 28 HG1 THR 28 14.693 8.382 -0.303 781 HG21 THR 28 1HG2 THR 28 15.776 8.758 1.792 782 HG22 THR 28 2HG2 THR 28 14.835 9.637 2.999 783 HG23 THR 28 3HG2 THR 28 15.280 10.424 1.485 784 H LEU 29 H LEU 29 10.976 8.558 2.090 785 HA LEU 29 HA LEU 29 9.523 6.439 0.893 786 HB2 LEU 29 1HB LEU 29 8.710 9.319 1.298 787 HB3 LEU 29 2HB LEU 29 7.625 7.973 0.991 788 HG LEU 29 HG LEU 29 9.339 8.338 3.454 789 HD11 LEU 29 1HD1 LEU 29 7.222 8.647 4.618 790 HD12 LEU 29 2HD1 LEU 29 6.356 8.524 3.085 791 HD13 LEU 29 3HD1 LEU 29 7.453 9.876 3.372 792 HD21 LEU 29 1HD2 LEU 29 8.185 6.381 4.323 793 HD22 LEU 29 2HD2 LEU 29 9.083 5.986 2.857 794 HD23 LEU 29 3HD2 LEU 29 7.332 6.191 2.791 795 H GLU 30 H GLU 30 11.113 9.278 -0.285 796 HA GLU 30 HA GLU 30 9.967 9.338 -2.879 797 HB2 GLU 30 1HB GLU 30 12.593 10.377 -1.818 798 HB3 GLU 30 2HB GLU 30 12.030 10.657 -3.460 799 HG2 GLU 30 1HG GLU 30 10.067 11.821 -2.585 800 HG3 GLU 30 2HG GLU 30 10.646 11.547 -0.941 801 H ASP 31 H ASP 31 12.549 7.518 -1.395 802 HA ASP 31 HA ASP 31 13.509 6.441 -3.883 803 HB2 ASP 31 1HB ASP 31 13.945 5.516 -1.035 804 HB3 ASP 31 2HB ASP 31 14.730 4.817 -2.443 805 H PHE 32 H PHE 32 11.473 5.339 -1.222 806 HA PHE 32 HA PHE 32 11.175 2.706 -2.139 807 HB2 PHE 32 1HB PHE 32 10.729 3.516 0.187 808 HB3 PHE 32 2HB PHE 32 9.226 4.215 -0.401 809 HD1 PHE 32 HD1 PHE 32 7.377 2.789 -1.070 810 HD2 PHE 32 HD2 PHE 32 10.987 1.124 0.431 811 HE1 PHE 32 HE1 PHE 32 6.243 0.644 -0.734 812 HE2 PHE 32 HE2 PHE 32 9.850 -1.033 0.771 813 HZ PHE 32 HZ PHE 32 7.474 -1.270 0.188 814 H LYS 33 H LYS 33 9.439 5.633 -2.995 815 HA LYS 33 HA LYS 33 7.210 4.332 -4.151 816 HB2 LYS 33 1HB LYS 33 6.815 6.449 -5.351 817 HB3 LYS 33 2HB LYS 33 7.080 6.680 -3.631 818 HG2 LYS 33 1HG LYS 33 9.245 7.539 -3.978 819 HG3 LYS 33 2HG LYS 33 9.261 7.014 -5.661 820 HD2 LYS 33 1HD LYS 33 8.896 9.401 -5.556 821 HD3 LYS 33 2HD LYS 33 7.445 8.604 -6.153 822 HE2 LYS 33 1HE LYS 33 6.558 8.709 -3.798 823 HE3 LYS 33 2HE LYS 33 7.939 9.729 -3.406 824 HZ1 LYS 33 1HZ LYS 33 7.203 11.321 -5.059 825 HZ2 LYS 33 2HZ LYS 33 5.964 11.044 -3.936 826 HZ3 LYS 33 3HZ LYS 33 5.891 10.339 -5.473 827 H GLU 34 H GLU 34 10.418 4.346 -5.057 828 HA GLU 34 HA GLU 34 9.856 3.875 -7.897 829 HB2 GLU 34 1HB GLU 34 12.503 4.072 -6.456 830 HB3 GLU 34 2HB GLU 34 12.272 3.999 -8.195 831 HG2 GLU 34 1HG GLU 34 11.240 6.209 -6.442 832 HG3 GLU 34 2HG GLU 34 12.773 6.261 -7.306 833 H LEU 35 H LEU 35 9.744 2.180 -5.184 834 HA LEU 35 HA LEU 35 11.389 -0.079 -5.714 835 HB2 LEU 35 1HB LEU 35 10.642 0.630 -3.467 836 HB3 LEU 35 2HB LEU 35 8.995 0.237 -3.900 837 HG LEU 35 HG LEU 35 10.274 -1.396 -2.422 838 HD11 LEU 35 1HD1 LEU 35 9.161 -3.303 -3.389 839 HD12 LEU 35 2HD1 LEU 35 9.009 -2.469 -4.934 840 HD13 LEU 35 3HD1 LEU 35 8.128 -1.880 -3.522 841 HD21 LEU 35 1HD2 LEU 35 12.349 -1.382 -3.723 842 HD22 LEU 35 2HD2 LEU 35 11.500 -2.139 -5.072 843 HD23 LEU 35 3HD2 LEU 35 11.690 -3.008 -3.549 844 H ARG 36 H ARG 36 10.964 -1.886 -6.832 845 HA ARG 36 HA ARG 36 8.270 -2.231 -7.936 846 HB2 ARG 36 1HB ARG 36 10.878 -2.505 -9.434 847 HB3 ARG 36 2HB ARG 36 9.304 -2.952 -10.076 848 HG2 ARG 36 1HG ARG 36 10.187 -0.184 -9.277 849 HG3 ARG 36 2HG ARG 36 9.965 -0.787 -10.924 850 HD2 ARG 36 1HD ARG 36 7.604 -1.098 -10.528 851 HD3 ARG 36 2HD ARG 36 7.795 -0.638 -8.841 852 HE ARG 36 HE ARG 36 8.610 1.383 -10.731 853 HH11 ARG 36 1HH1 ARG 36 6.035 0.054 -8.794 854 HH12 ARG 36 2HH1 ARG 36 5.067 1.497 -8.826 855 HH21 ARG 36 1HH2 ARG 36 7.381 3.316 -10.754 856 HH22 ARG 36 2HH2 ARG 36 5.850 3.360 -9.937 857 H GLU 37 H GLU 37 7.881 -4.449 -8.787 858 HA GLU 37 HA GLU 37 8.531 -6.328 -6.779 859 HB2 GLU 37 1HB GLU 37 6.437 -6.453 -8.026 860 HB3 GLU 37 2HB GLU 37 7.325 -6.766 -9.511 861 HG2 GLU 37 1HG GLU 37 8.134 -8.868 -8.607 862 HG3 GLU 37 2HG GLU 37 7.294 -8.549 -7.090 863 H THR 38 H THR 38 9.691 -5.841 -10.072 864 HA THR 38 HA THR 38 11.418 -8.044 -10.185 865 HB THR 38 HB THR 38 11.756 -5.349 -11.517 866 HG1 THR 38 HG1 THR 38 10.795 -7.072 -13.224 867 HG21 THR 38 1HG2 THR 38 13.769 -6.727 -11.636 868 HG22 THR 38 2HG2 THR 38 12.999 -6.608 -13.217 869 HG23 THR 38 3HG2 THR 38 12.819 -8.076 -12.258 870 H HIS 39 H HIS 39 11.646 -4.989 -8.574 871 HA HIS 39 HA HIS 39 14.472 -5.123 -8.084 872 HB2 HIS 39 1HB HIS 39 12.303 -3.470 -6.774 873 HB3 HIS 39 2HB HIS 39 14.022 -3.313 -6.418 874 HD1 HIS 39 HD1 HIS 39 13.301 -0.764 -7.269 875 HD2 HIS 39 HD2 HIS 39 13.724 -3.750 -10.131 876 HE1 HIS 39 HE1 HIS 39 13.434 0.430 -9.476 877 HE2 HIS 39 HE2 HIS 39 13.767 -1.388 -11.189 878 H LEU 40 H LEU 40 11.523 -6.060 -6.435 879 HA LEU 40 HA LEU 40 12.716 -6.980 -4.044 880 HB2 LEU 40 1HB LEU 40 10.123 -7.325 -5.414 881 HB3 LEU 40 2HB LEU 40 10.565 -8.588 -4.283 882 HG LEU 40 HG LEU 40 10.625 -7.060 -2.464 883 HD11 LEU 40 1HD1 LEU 40 11.735 -5.227 -3.671 884 HD12 LEU 40 2HD1 LEU 40 10.380 -4.691 -2.681 885 HD13 LEU 40 3HD1 LEU 40 10.193 -4.833 -4.431 886 HD21 LEU 40 1HD2 LEU 40 8.415 -7.771 -3.053 887 HD22 LEU 40 2HD2 LEU 40 8.278 -6.482 -4.248 888 HD23 LEU 40 3HD2 LEU 40 8.361 -6.088 -2.532 889 H ASN 41 H ASN 41 12.124 -8.468 -7.169 890 HA ASN 41 HA ASN 41 13.040 -11.048 -6.631 891 HB2 ASN 41 1HB ASN 41 13.232 -9.332 -9.108 892 HB3 ASN 41 2HB ASN 41 13.804 -10.994 -9.074 893 HD21 ASN 41 1HD2 ASN 41 12.301 -11.543 -10.671 894 HD22 ASN 41 2HD2 ASN 41 10.624 -11.744 -10.305 895 H GLU 42 H GLU 42 14.758 -8.068 -7.259 896 HA GLU 42 HA GLU 42 17.373 -9.200 -7.282 897 HB2 GLU 42 1HB GLU 42 16.449 -6.367 -6.797 898 HB3 GLU 42 2HB GLU 42 18.108 -6.852 -7.105 899 HG2 GLU 42 1HG GLU 42 15.819 -7.225 -9.017 900 HG3 GLU 42 2HG GLU 42 16.990 -5.910 -9.077 901 H LEU 43 H LEU 43 15.321 -7.666 -4.881 902 HA LEU 43 HA LEU 43 17.304 -7.660 -2.812 903 HB2 LEU 43 1HB LEU 43 14.322 -7.332 -2.547 904 HB3 LEU 43 2HB LEU 43 15.544 -6.813 -1.405 905 HG LEU 43 HG LEU 43 15.113 -5.670 -4.161 906 HD11 LEU 43 1HD1 LEU 43 14.342 -3.690 -3.015 907 HD12 LEU 43 2HD1 LEU 43 14.590 -4.471 -1.453 908 HD13 LEU 43 3HD1 LEU 43 13.360 -5.085 -2.560 909 HD21 LEU 43 1HD2 LEU 43 17.450 -5.600 -3.527 910 HD22 LEU 43 2HD2 LEU 43 17.023 -4.855 -1.985 911 HD23 LEU 43 3HD2 LEU 43 16.743 -3.984 -3.494 912 H ASN 44 H ASN 44 15.495 -10.037 -4.172 913 HA ASN 44 HA ASN 44 15.078 -12.204 -3.711 914 HB2 ASN 44 1HB ASN 44 17.416 -12.055 -2.718 915 HB3 ASN 44 2HB ASN 44 16.638 -11.885 -1.151 916 HD21 ASN 44 1HD2 ASN 44 17.164 -14.023 -3.865 917 HD22 ASN 44 2HD2 ASN 44 16.763 -15.486 -3.036 918 H ILE 45 H ILE 45 13.360 -10.074 -2.837 919 HA ILE 45 HA ILE 45 12.045 -11.206 -0.486 920 HB ILE 45 HB ILE 45 11.271 -8.789 -2.118 921 HG12 ILE 45 1HG1 ILE 45 12.680 -8.920 0.554 922 HG13 ILE 45 2HG1 ILE 45 13.478 -8.583 -0.978 923 HG21 ILE 45 1HG2 ILE 45 9.389 -9.776 -0.926 924 HG22 ILE 45 2HG2 ILE 45 9.840 -8.232 -0.202 925 HG23 ILE 45 3HG2 ILE 45 10.310 -9.743 0.579 926 HD11 ILE 45 1HD1 ILE 45 11.302 -6.899 0.238 927 HD12 ILE 45 2HD1 ILE 45 12.231 -6.541 -1.220 928 HD13 ILE 45 3HD1 ILE 45 13.030 -6.568 0.350 929 H MET 46 H MET 46 11.486 -13.175 -1.493 930 HA MET 46 HA MET 46 9.936 -13.081 -3.938 931 HB2 MET 46 1HB MET 46 10.846 -15.460 -2.323 932 HB3 MET 46 2HB MET 46 10.166 -15.509 -3.943 933 HG2 MET 46 1HG MET 46 12.624 -13.903 -3.429 934 HG3 MET 46 2HG MET 46 12.743 -15.652 -3.564 935 HE1 MET 46 1HE MET 46 11.807 -12.324 -5.240 936 HE2 MET 46 2HE MET 46 10.336 -13.149 -5.763 937 HE3 MET 46 3HE MET 46 11.578 -12.733 -6.939 938 H ASP 47 H ASP 47 9.303 -13.062 -0.649 939 HA ASP 47 HA ASP 47 6.980 -14.598 -0.394 940 HB2 ASP 47 1HB ASP 47 7.923 -12.100 0.998 941 HB3 ASP 47 2HB ASP 47 6.416 -12.894 1.434 942 HA PRO 48 HA PRO 48 4.684 -12.502 -3.552 943 HB2 PRO 48 1HB PRO 48 2.446 -14.095 -2.452 944 HB3 PRO 48 2HB PRO 48 3.080 -14.020 -4.095 945 HG2 PRO 48 1HG PRO 48 3.553 -16.131 -2.557 946 HG3 PRO 48 2HG PRO 48 4.791 -15.498 -3.654 947 HD2 PRO 48 1HD PRO 48 4.538 -15.177 -0.697 948 HD3 PRO 48 2HD PRO 48 5.985 -15.450 -1.686 949 H GLN 49 H GLN 49 2.948 -12.956 -0.444 950 HA GLN 49 HA GLN 49 1.242 -10.729 -0.896 951 HB2 GLN 49 1HB GLN 49 1.926 -12.295 1.580 952 HB3 GLN 49 2HB GLN 49 0.844 -10.914 1.621 953 HG2 GLN 49 1HG GLN 49 -0.650 -12.019 0.054 954 HG3 GLN 49 2HG GLN 49 0.438 -13.401 -0.024 955 HE21 GLN 49 1HE2 GLN 49 -1.900 -11.694 1.878 956 HE22 GLN 49 2HE2 GLN 49 -2.120 -12.917 3.078 957 H HIS 50 H HIS 50 4.337 -11.180 0.640 958 HA HIS 50 HA HIS 50 4.467 -8.628 1.886 959 HB2 HIS 50 1HB HIS 50 6.657 -10.541 1.060 960 HB3 HIS 50 2HB HIS 50 6.925 -9.096 2.025 961 HD1 HIS 50 HD1 HIS 50 7.761 -10.552 4.049 962 HD2 HIS 50 HD2 HIS 50 3.832 -11.280 2.886 963 HE1 HIS 50 HE1 HIS 50 6.753 -11.939 5.878 964 HE2 HIS 50 HE2 HIS 50 4.367 -12.322 5.187 965 H ARG 51 H ARG 51 5.577 -9.930 -1.183 966 HA ARG 51 HA ARG 51 6.641 -7.640 -2.346 967 HB2 ARG 51 1HB ARG 51 5.127 -9.981 -3.484 968 HB3 ARG 51 2HB ARG 51 5.750 -8.699 -4.512 969 HG2 ARG 51 1HG ARG 51 7.933 -9.300 -4.169 970 HG3 ARG 51 2HG ARG 51 7.592 -10.059 -2.614 971 HD2 ARG 51 1HD ARG 51 8.145 -11.636 -4.488 972 HD3 ARG 51 2HD ARG 51 6.633 -11.955 -3.647 973 HE ARG 51 HE ARG 51 6.285 -10.329 -5.984 974 HH11 ARG 51 1HH1 ARG 51 6.635 -13.613 -4.822 975 HH12 ARG 51 2HH1 ARG 51 5.787 -14.312 -6.164 976 HH21 ARG 51 1HH2 ARG 51 5.160 -11.228 -7.743 977 HH22 ARG 51 2HH2 ARG 51 4.959 -12.959 -7.841 978 H ALA 52 H ALA 52 3.329 -8.869 -2.460 979 HA ALA 52 HA ALA 52 2.152 -6.901 -3.981 980 HB1 ALA 52 1HB ALA 52 0.052 -7.609 -2.959 981 HB2 ALA 52 2HB ALA 52 0.947 -8.435 -1.685 982 HB3 ALA 52 3HB ALA 52 1.069 -8.992 -3.352 983 H LYS 53 H LYS 53 2.649 -6.968 -0.466 984 HA LYS 53 HA LYS 53 1.341 -4.521 0.056 985 HB2 LYS 53 1HB LYS 53 3.550 -5.808 1.663 986 HB3 LYS 53 2HB LYS 53 2.429 -4.579 2.231 987 HG2 LYS 53 1HG LYS 53 0.609 -6.299 1.564 988 HG3 LYS 53 2HG LYS 53 1.934 -7.460 1.639 989 HD2 LYS 53 1HD LYS 53 1.026 -7.562 3.774 990 HD3 LYS 53 2HD LYS 53 2.371 -6.437 3.978 991 HE2 LYS 53 1HE LYS 53 0.874 -4.550 3.828 992 HE3 LYS 53 2HE LYS 53 -0.484 -5.623 3.473 993 HZ1 LYS 53 1HZ LYS 53 -0.529 -4.967 5.767 994 HZ2 LYS 53 2HZ LYS 53 1.054 -5.502 6.009 995 HZ3 LYS 53 3HZ LYS 53 -0.176 -6.616 5.677 996 H LEU 54 H LEU 54 4.793 -5.288 -0.303 997 HA LEU 54 HA LEU 54 5.804 -2.731 0.065 998 HB2 LEU 54 1HB LEU 54 6.812 -5.003 -1.635 999 HB3 LEU 54 2HB LEU 54 7.736 -3.546 -1.324 1000 HG LEU 54 HG LEU 54 6.748 -5.378 0.856 1001 HD11 LEU 54 1HD1 LEU 54 8.268 -6.627 -0.526 1002 HD12 LEU 54 2HD1 LEU 54 9.081 -6.173 0.974 1003 HD13 LEU 54 3HD1 LEU 54 9.424 -5.295 -0.518 1004 HD21 LEU 54 1HD2 LEU 54 8.765 -3.142 0.811 1005 HD22 LEU 54 2HD2 LEU 54 8.466 -4.210 2.182 1006 HD23 LEU 54 3HD2 LEU 54 7.192 -3.131 1.611 1007 H LEU 55 H LEU 55 4.703 -4.289 -2.925 1008 HA LEU 55 HA LEU 55 5.390 -2.151 -4.633 1009 HB2 LEU 55 1HB LEU 55 3.641 -4.541 -4.846 1010 HB3 LEU 55 2HB LEU 55 3.428 -3.265 -6.025 1011 HG LEU 55 HG LEU 55 4.893 -4.923 -6.944 1012 HD11 LEU 55 1HD1 LEU 55 6.528 -2.547 -6.097 1013 HD12 LEU 55 2HD1 LEU 55 5.362 -2.556 -7.420 1014 HD13 LEU 55 3HD1 LEU 55 6.798 -3.579 -7.501 1015 HD21 LEU 55 1HD2 LEU 55 7.020 -5.512 -5.920 1016 HD22 LEU 55 2HD2 LEU 55 5.671 -5.936 -4.865 1017 HD23 LEU 55 3HD2 LEU 55 6.640 -4.499 -4.529 1018 H THR 56 H THR 56 2.427 -2.912 -2.873 1019 HA THR 56 HA THR 56 0.838 -0.883 -4.034 1020 HB THR 56 HB THR 56 0.581 -2.077 -1.275 1021 HG1 THR 56 HG1 THR 56 0.490 -3.750 -2.707 1022 HG21 THR 56 1HG2 THR 56 -1.777 -1.493 -1.491 1023 HG22 THR 56 2HG2 THR 56 -1.465 -0.784 -3.075 1024 HG23 THR 56 3HG2 THR 56 -0.768 -0.052 -1.630 1025 H ALA 57 H ALA 57 2.870 -1.006 -1.153 1026 HA ALA 57 HA ALA 57 2.310 1.560 -0.197 1027 HB1 ALA 57 1HB ALA 57 4.535 1.353 0.938 1028 HB2 ALA 57 2HB ALA 57 4.744 -0.182 0.089 1029 HB3 ALA 57 3HB ALA 57 3.415 0.023 1.227 1030 H ALA 58 H ALA 58 4.774 0.386 -2.457 1031 HA ALA 58 HA ALA 58 6.037 2.848 -2.934 1032 HB1 ALA 58 1HB ALA 58 5.718 0.530 -4.837 1033 HB2 ALA 58 2HB ALA 58 6.961 0.666 -3.592 1034 HB3 ALA 58 3HB ALA 58 6.929 1.811 -4.934 1035 H GLU 59 H GLU 59 3.364 1.232 -4.587 1036 HA GLU 59 HA GLU 59 2.918 3.074 -6.620 1037 HB2 GLU 59 1HB GLU 59 1.194 1.086 -5.199 1038 HB3 GLU 59 2HB GLU 59 0.476 2.170 -6.377 1039 HG2 GLU 59 1HG GLU 59 2.699 0.209 -6.859 1040 HG3 GLU 59 2HG GLU 59 1.033 0.078 -7.418 1041 H LEU 60 H LEU 60 1.435 2.926 -3.380 1042 HA LEU 60 HA LEU 60 -0.094 5.272 -3.790 1043 HB2 LEU 60 1HB LEU 60 0.486 3.503 -1.519 1044 HB3 LEU 60 2HB LEU 60 0.112 5.163 -1.093 1045 HG LEU 60 HG LEU 60 -2.008 4.989 -2.339 1046 HD11 LEU 60 1HD1 LEU 60 -1.370 3.312 -3.964 1047 HD12 LEU 60 2HD1 LEU 60 -2.802 2.800 -3.067 1048 HD13 LEU 60 3HD1 LEU 60 -1.226 2.104 -2.684 1049 HD21 LEU 60 1HD2 LEU 60 -1.464 3.000 -0.166 1050 HD22 LEU 60 2HD2 LEU 60 -3.083 3.343 -0.773 1051 HD23 LEU 60 3HD2 LEU 60 -2.133 4.624 -0.016 1052 H LEU 61 H LEU 61 3.012 4.732 -2.097 1053 HA LEU 61 HA LEU 61 3.363 7.351 -1.199 1054 HB2 LEU 61 1HB LEU 61 5.409 5.314 -2.042 1055 HB3 LEU 61 2HB LEU 61 5.822 6.836 -1.283 1056 HG LEU 61 HG LEU 61 4.231 4.590 -0.056 1057 HD11 LEU 61 1HD1 LEU 61 6.885 5.742 0.757 1058 HD12 LEU 61 2HD1 LEU 61 6.713 4.346 -0.299 1059 HD13 LEU 61 3HD1 LEU 61 6.109 4.275 1.354 1060 HD21 LEU 61 1HD2 LEU 61 3.342 6.713 0.707 1061 HD22 LEU 61 2HD2 LEU 61 4.969 7.291 1.068 1062 HD23 LEU 61 3HD2 LEU 61 4.281 5.957 1.995 1063 H LEU 62 H LEU 62 3.724 6.008 -4.365 1064 HA LEU 62 HA LEU 62 5.342 7.886 -5.603 1065 HB2 LEU 62 1HB LEU 62 4.575 5.807 -6.642 1066 HB3 LEU 62 2HB LEU 62 2.945 6.442 -6.720 1067 HG LEU 62 HG LEU 62 3.670 8.160 -8.301 1068 HD11 LEU 62 1HD1 LEU 62 5.945 8.008 -9.273 1069 HD12 LEU 62 2HD1 LEU 62 6.370 6.859 -8.003 1070 HD13 LEU 62 3HD1 LEU 62 5.931 8.516 -7.586 1071 HD21 LEU 62 1HD2 LEU 62 4.129 6.685 -10.194 1072 HD22 LEU 62 2HD2 LEU 62 2.879 6.013 -9.144 1073 HD23 LEU 62 3HD2 LEU 62 4.522 5.375 -9.081 1074 H ASP 63 H ASP 63 1.876 7.989 -4.941 1075 HA ASP 63 HA ASP 63 1.812 10.757 -5.940 1076 HB2 ASP 63 1HB ASP 63 -0.302 8.646 -5.677 1077 HB3 ASP 63 2HB ASP 63 -0.741 10.347 -5.777 1078 H TYR 64 H TYR 64 1.411 8.804 -3.128 1079 HA TYR 64 HA TYR 64 -0.021 10.942 -1.718 1080 HB2 TYR 64 1HB TYR 64 0.277 8.005 -1.110 1081 HB3 TYR 64 2HB TYR 64 -0.568 9.147 -0.079 1082 HD1 TYR 64 HD1 TYR 64 -2.690 10.129 -0.801 1083 HD2 TYR 64 HD2 TYR 64 -0.727 7.154 -3.108 1084 HE1 TYR 64 HE1 TYR 64 -4.773 9.722 -2.030 1085 HE2 TYR 64 HE2 TYR 64 -2.800 6.734 -4.347 1086 HH TYR 64 HH TYR 64 -5.467 8.799 -4.229 1087 H ASP 65 H ASP 65 2.950 10.978 -2.072 1088 HA ASP 65 HA ASP 65 4.010 10.112 0.459 1089 HB2 ASP 65 1HB ASP 65 6.151 11.011 -0.305 1090 HB3 ASP 65 2HB ASP 65 5.415 9.979 -1.521 1091 H THR 66 H THR 66 2.119 11.608 1.276 1092 HA THR 66 HA THR 66 1.457 13.378 2.519 1093 HB THR 66 HB THR 66 3.204 14.335 4.064 1094 HG1 THR 66 HG1 THR 66 4.839 13.074 2.291 1095 HG21 THR 66 1HG2 THR 66 3.038 11.328 3.943 1096 HG22 THR 66 2HG2 THR 66 1.809 12.389 4.630 1097 HG23 THR 66 3HG2 THR 66 3.411 12.301 5.366 1098 H GLY 67 H GLY 67 1.894 14.123 -0.138 1099 HA2 GLY 67 1HA GLY 67 3.035 16.830 0.161 1100 HA3 GLY 67 2HA GLY 67 3.028 15.926 -1.345 1101 H CYS 68 H CYS 68 0.289 15.949 0.771 1102 HA CYS 68 HA CYS 68 -1.849 16.653 0.541 1103 HB2 CYS 68 1HB CYS 68 -0.288 18.952 -0.543 1104 HB3 CYS 68 2HB CYS 68 -2.038 18.969 -0.690 1105 H GLU 69 H GLU 69 -3.324 17.839 -1.354 1106 HA GLU 69 HA GLU 69 -3.563 15.804 -3.331 1107 HB2 GLU 69 1HB GLU 69 -4.971 18.469 -3.072 1108 HB3 GLU 69 2HB GLU 69 -5.454 17.163 -4.146 1109 HG2 GLU 69 1HG GLU 69 -5.937 15.736 -2.265 1110 HG3 GLU 69 2HG GLU 69 -5.342 16.960 -1.145 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 -1.318 12.529 -8.045 2 H2 GLY 1 2H GLY 1 -2.810 12.970 -7.389 3 H3 GLY 1 3H GLY 1 -2.706 12.503 -9.007 4 HA2 GLY 1 2HA GLY 1 -2.089 10.267 -8.364 5 HA3 GLY 1 1HA GLY 1 -2.176 10.755 -6.677 6 HA PRO 2 HA PRO 2 -6.312 8.983 -8.103 7 HB2 PRO 2 1HB PRO 2 -5.991 7.523 -5.557 8 HB3 PRO 2 2HB PRO 2 -6.499 6.927 -7.140 9 HG2 PRO 2 1HG PRO 2 -4.085 6.345 -6.161 10 HG3 PRO 2 2HG PRO 2 -4.325 6.666 -7.888 11 HD2 PRO 2 1HD PRO 2 -3.211 8.457 -5.766 12 HD3 PRO 2 2HD PRO 2 -2.677 8.233 -7.446 13 H LYS 3 H LYS 3 -7.685 10.563 -7.699 14 HA LYS 3 HA LYS 3 -7.875 11.786 -5.085 15 HB2 LYS 3 1HB LYS 3 -9.458 12.270 -7.609 16 HB3 LYS 3 2HB LYS 3 -9.528 13.253 -6.155 17 HG2 LYS 3 1HG LYS 3 -7.066 12.850 -7.837 18 HG3 LYS 3 2HG LYS 3 -8.145 14.238 -7.944 19 HD2 LYS 3 1HD LYS 3 -6.629 13.414 -5.471 20 HD3 LYS 3 2HD LYS 3 -6.124 14.680 -6.589 21 HE2 LYS 3 1HE LYS 3 -8.694 14.654 -5.013 22 HE3 LYS 3 2HE LYS 3 -7.257 15.583 -4.604 23 HZ1 LYS 3 1HZ LYS 3 -8.871 16.950 -5.747 24 HZ2 LYS 3 2HZ LYS 3 -8.880 15.900 -7.072 25 HZ3 LYS 3 3HZ LYS 3 -7.483 16.777 -6.698 26 H THR 4 H THR 4 -9.375 9.283 -6.857 27 HA THR 4 HA THR 4 -11.522 9.183 -4.861 28 HB THR 4 HB THR 4 -12.975 8.125 -6.545 29 HG1 THR 4 HG1 THR 4 -12.025 8.663 -8.826 30 HG21 THR 4 1HG2 THR 4 -13.414 10.130 -7.903 31 HG22 THR 4 2HG2 THR 4 -11.872 10.808 -7.376 32 HG23 THR 4 3HG2 THR 4 -13.158 10.524 -6.202 33 H LEU 5 H LEU 5 -12.498 6.928 -4.757 34 HA LEU 5 HA LEU 5 -10.473 5.133 -3.963 35 HB2 LEU 5 1HB LEU 5 -12.831 5.343 -3.070 36 HB3 LEU 5 2HB LEU 5 -13.368 4.495 -4.503 37 HG LEU 5 HG LEU 5 -13.019 3.213 -2.266 38 HD11 LEU 5 1HD1 LEU 5 -12.002 2.191 -4.908 39 HD12 LEU 5 2HD1 LEU 5 -13.663 2.128 -4.315 40 HD13 LEU 5 3HD1 LEU 5 -12.405 1.184 -3.516 41 HD21 LEU 5 1HD2 LEU 5 -10.218 3.236 -3.370 42 HD22 LEU 5 2HD2 LEU 5 -10.798 2.268 -2.016 43 HD23 LEU 5 3HD2 LEU 5 -10.747 4.027 -1.885 44 H HIS 6 H HIS 6 -12.620 5.279 -6.753 45 HA HIS 6 HA HIS 6 -11.966 2.926 -8.043 46 HB2 HIS 6 1HB HIS 6 -13.754 4.396 -8.789 47 HB3 HIS 6 2HB HIS 6 -12.588 5.633 -9.232 48 HD1 HIS 6 HD1 HIS 6 -11.596 5.518 -11.548 49 HD2 HIS 6 HD2 HIS 6 -13.700 2.076 -10.512 50 HE1 HIS 6 HE1 HIS 6 -11.761 4.155 -13.651 51 HE2 HIS 6 HE2 HIS 6 -13.167 2.161 -13.039 52 H GLU 7 H GLU 7 -10.341 6.071 -8.247 53 HA GLU 7 HA GLU 7 -8.479 5.262 -10.220 54 HB2 GLU 7 1HB GLU 7 -8.213 7.492 -8.206 55 HB3 GLU 7 2HB GLU 7 -7.285 7.320 -9.690 56 HG2 GLU 7 1HG GLU 7 -10.219 7.893 -9.418 57 HG3 GLU 7 2HG GLU 7 -8.969 8.964 -10.038 58 H LEU 8 H LEU 8 -8.547 5.120 -6.745 59 HA LEU 8 HA LEU 8 -5.793 4.559 -6.354 60 HB2 LEU 8 1HB LEU 8 -7.472 5.409 -4.664 61 HB3 LEU 8 2HB LEU 8 -8.093 3.776 -4.573 62 HG LEU 8 HG LEU 8 -6.487 4.526 -2.754 63 HD11 LEU 8 1HD1 LEU 8 -7.055 2.219 -2.969 64 HD12 LEU 8 2HD1 LEU 8 -5.314 2.343 -2.710 65 HD13 LEU 8 3HD1 LEU 8 -5.944 2.026 -4.324 66 HD21 LEU 8 1HD2 LEU 8 -4.126 4.410 -3.222 67 HD22 LEU 8 2HD2 LEU 8 -4.883 5.631 -4.246 68 HD23 LEU 8 3HD2 LEU 8 -4.453 4.058 -4.918 69 H LEU 9 H LEU 9 -8.683 2.550 -6.670 70 HA LEU 9 HA LEU 9 -7.416 0.069 -6.295 71 HB2 LEU 9 1HB LEU 9 -9.962 0.962 -7.560 72 HB3 LEU 9 2HB LEU 9 -9.424 -0.682 -7.824 73 HG LEU 9 HG LEU 9 -11.071 -0.313 -5.928 74 HD11 LEU 9 1HD1 LEU 9 -8.428 -1.623 -5.341 75 HD12 LEU 9 2HD1 LEU 9 -9.810 -2.362 -6.151 76 HD13 LEU 9 3HD1 LEU 9 -9.926 -1.902 -4.451 77 HD21 LEU 9 1HD2 LEU 9 -9.997 1.715 -5.026 78 HD22 LEU 9 2HD2 LEU 9 -8.619 0.732 -4.530 79 HD23 LEU 9 3HD2 LEU 9 -10.206 0.450 -3.816 80 H GLU 10 H GLU 10 -8.014 1.968 -9.229 81 HA GLU 10 HA GLU 10 -6.850 0.085 -11.000 82 HB2 GLU 10 1HB GLU 10 -7.115 3.081 -11.284 83 HB3 GLU 10 2HB GLU 10 -6.657 1.984 -12.577 84 HG2 GLU 10 1HG GLU 10 -8.869 0.830 -12.204 85 HG3 GLU 10 2HG GLU 10 -9.299 2.198 -11.176 86 H ARG 11 H ARG 11 -5.569 2.492 -8.880 87 HA ARG 11 HA ARG 11 -3.024 2.822 -10.059 88 HB2 ARG 11 1HB ARG 11 -4.362 4.090 -8.101 89 HB3 ARG 11 2HB ARG 11 -3.326 3.071 -7.115 90 HG2 ARG 11 1HG ARG 11 -2.351 4.968 -9.235 91 HG3 ARG 11 2HG ARG 11 -2.417 5.321 -7.510 92 HD2 ARG 11 1HD ARG 11 -0.807 3.660 -7.019 93 HD3 ARG 11 2HD ARG 11 -0.896 2.994 -8.650 94 HE ARG 11 HE ARG 11 0.081 5.738 -8.170 95 HH11 ARG 11 1HH1 ARG 11 0.642 2.475 -9.361 96 HH12 ARG 11 2HH1 ARG 11 2.039 2.932 -10.279 97 HH21 ARG 11 1HH2 ARG 11 1.902 6.319 -9.377 98 HH22 ARG 11 2HH2 ARG 11 2.743 5.118 -10.306 99 H ILE 12 H ILE 12 -4.273 0.698 -7.524 100 HA ILE 12 HA ILE 12 -1.653 -0.537 -7.224 101 HB ILE 12 HB ILE 12 -2.624 -1.728 -5.323 102 HG12 ILE 12 1HG1 ILE 12 -5.146 -0.172 -5.946 103 HG13 ILE 12 2HG1 ILE 12 -4.945 -1.904 -6.193 104 HG21 ILE 12 1HG2 ILE 12 -3.129 1.239 -5.377 105 HG22 ILE 12 2HG2 ILE 12 -1.606 0.437 -4.987 106 HG23 ILE 12 3HG2 ILE 12 -2.999 0.260 -3.916 107 HD11 ILE 12 1HD1 ILE 12 -4.823 -0.468 -3.554 108 HD12 ILE 12 2HD1 ILE 12 -4.609 -2.203 -3.795 109 HD13 ILE 12 3HD1 ILE 12 -6.163 -1.447 -4.152 110 H GLY 13 H GLY 13 -4.393 -1.033 -9.074 111 HA2 GLY 13 1HA GLY 13 -4.507 -2.633 -10.774 112 HA3 GLY 13 2HA GLY 13 -3.288 -3.577 -9.938 113 H LEU 14 H LEU 14 -6.103 -2.386 -8.285 114 HA LEU 14 HA LEU 14 -7.204 -5.112 -8.310 115 HB2 LEU 14 1HB LEU 14 -6.973 -3.151 -6.062 116 HB3 LEU 14 2HB LEU 14 -8.248 -4.352 -6.060 117 HG LEU 14 HG LEU 14 -6.559 -5.294 -4.763 118 HD11 LEU 14 1HD1 LEU 14 -7.458 -6.805 -6.474 119 HD12 LEU 14 2HD1 LEU 14 -5.818 -7.220 -5.976 120 HD13 LEU 14 3HD1 LEU 14 -6.090 -6.401 -7.512 121 HD21 LEU 14 1HD2 LEU 14 -4.217 -5.448 -5.461 122 HD22 LEU 14 2HD2 LEU 14 -4.758 -3.786 -5.238 123 HD23 LEU 14 3HD2 LEU 14 -4.589 -4.448 -6.865 124 H GLU 15 H GLU 15 -7.724 -2.842 -10.061 125 HA GLU 15 HA GLU 15 -10.168 -1.615 -9.507 126 HB2 GLU 15 1HB GLU 15 -10.336 -1.268 -11.932 127 HB3 GLU 15 2HB GLU 15 -8.733 -0.890 -11.320 128 HG2 GLU 15 1HG GLU 15 -7.891 -3.006 -12.138 129 HG3 GLU 15 2HG GLU 15 -9.504 -3.450 -12.695 130 H GLU 16 H GLU 16 -9.441 -4.848 -10.273 131 HA GLU 16 HA GLU 16 -11.885 -5.729 -11.332 132 HB2 GLU 16 1HB GLU 16 -11.156 -7.961 -10.506 133 HB3 GLU 16 2HB GLU 16 -9.928 -7.125 -11.445 134 HG2 GLU 16 1HG GLU 16 -8.772 -6.484 -9.419 135 HG3 GLU 16 2HG GLU 16 -10.037 -7.225 -8.441 136 H HIS 17 H HIS 17 -10.984 -4.737 -8.163 137 HA HIS 17 HA HIS 17 -13.407 -5.981 -7.043 138 HB2 HIS 17 1HB HIS 17 -10.756 -5.359 -5.772 139 HB3 HIS 17 2HB HIS 17 -12.199 -5.626 -4.808 140 HD1 HIS 17 HD1 HIS 17 -13.438 -8.071 -5.528 141 HD2 HIS 17 HD2 HIS 17 -9.341 -7.624 -6.114 142 HE1 HIS 17 HE1 HIS 17 -12.510 -10.401 -5.663 143 HE2 HIS 17 HE2 HIS 17 -10.055 -10.123 -6.130 144 H THR 18 H THR 18 -12.534 -3.129 -8.236 145 HA THR 18 HA THR 18 -12.922 -1.227 -6.254 146 HB THR 18 HB THR 18 -14.020 -0.907 -9.034 147 HG1 THR 18 HG1 THR 18 -12.051 -0.899 -9.796 148 HG21 THR 18 1HG2 THR 18 -14.513 0.899 -7.505 149 HG22 THR 18 2HG2 THR 18 -13.314 1.432 -8.682 150 HG23 THR 18 3HG2 THR 18 -12.814 1.008 -7.045 151 H SER 19 H SER 19 -15.327 -2.874 -8.266 152 HA SER 19 HA SER 19 -17.616 -1.617 -7.317 153 HB2 SER 19 1HB SER 19 -17.329 -4.508 -8.150 154 HB3 SER 19 2HB SER 19 -18.825 -3.582 -8.098 155 HG SER 19 HG SER 19 -17.635 -2.108 -9.613 156 H THR 20 H THR 20 -15.857 -4.406 -6.027 157 HA THR 20 HA THR 20 -17.649 -5.190 -4.048 158 HB THR 20 HB THR 20 -14.637 -5.249 -3.846 159 HG1 THR 20 HG1 THR 20 -16.459 -7.055 -5.094 160 HG21 THR 20 1HG2 THR 20 -16.770 -6.991 -2.606 161 HG22 THR 20 2HG2 THR 20 -15.784 -5.794 -1.763 162 HG23 THR 20 3HG2 THR 20 -15.030 -7.234 -2.452 163 H LEU 21 H LEU 21 -14.950 -2.889 -3.869 164 HA LEU 21 HA LEU 21 -15.391 -2.129 -1.193 165 HB2 LEU 21 1HB LEU 21 -14.003 -0.822 -3.512 166 HB3 LEU 21 2HB LEU 21 -14.163 0.013 -1.986 167 HG LEU 21 HG LEU 21 -12.050 -0.898 -1.828 168 HD11 LEU 21 1HD1 LEU 21 -12.117 -2.683 -0.215 169 HD12 LEU 21 2HD1 LEU 21 -13.772 -3.077 -0.677 170 HD13 LEU 21 3HD1 LEU 21 -13.418 -1.534 0.106 171 HD21 LEU 21 1HD2 LEU 21 -12.142 -2.200 -3.889 172 HD22 LEU 21 2HD2 LEU 21 -13.063 -3.452 -3.055 173 HD23 LEU 21 3HD2 LEU 21 -11.401 -3.111 -2.572 174 H LEU 22 H LEU 22 -16.351 -0.604 -4.248 175 HA LEU 22 HA LEU 22 -17.708 1.587 -3.225 176 HB2 LEU 22 1HB LEU 22 -17.676 0.100 -5.761 177 HB3 LEU 22 2HB LEU 22 -19.126 1.037 -5.474 178 HG LEU 22 HG LEU 22 -17.866 3.079 -5.332 179 HD11 LEU 22 1HD1 LEU 22 -15.901 2.231 -4.172 180 HD12 LEU 22 2HD1 LEU 22 -15.445 3.137 -5.615 181 HD13 LEU 22 3HD1 LEU 22 -15.401 1.374 -5.629 182 HD21 LEU 22 1HD2 LEU 22 -18.455 2.299 -7.561 183 HD22 LEU 22 2HD2 LEU 22 -16.938 1.404 -7.658 184 HD23 LEU 22 3HD2 LEU 22 -16.919 3.167 -7.583 185 H LEU 23 H LEU 23 -18.924 -1.676 -3.843 186 HA LEU 23 HA LEU 23 -21.644 -1.075 -3.307 187 HB2 LEU 23 1HB LEU 23 -20.142 -3.684 -3.263 188 HB3 LEU 23 2HB LEU 23 -21.880 -3.552 -3.110 189 HG LEU 23 HG LEU 23 -20.252 -2.738 -5.516 190 HD11 LEU 23 1HD1 LEU 23 -20.390 -5.149 -5.227 191 HD12 LEU 23 2HD1 LEU 23 -21.349 -4.620 -6.609 192 HD13 LEU 23 3HD1 LEU 23 -22.146 -5.043 -5.093 193 HD21 LEU 23 1HD2 LEU 23 -22.439 -2.427 -6.601 194 HD22 LEU 23 2HD2 LEU 23 -22.185 -1.303 -5.266 195 HD23 LEU 23 3HD2 LEU 23 -23.231 -2.706 -5.050 196 H ASN 24 H ASN 24 -18.930 -1.812 -1.302 197 HA ASN 24 HA ASN 24 -20.695 -2.352 0.963 198 HB2 ASN 24 1HB ASN 24 -17.806 -2.944 0.441 199 HB3 ASN 24 2HB ASN 24 -18.442 -2.957 2.082 200 HD21 ASN 24 1HD2 ASN 24 -18.420 -4.519 -0.996 201 HD22 ASN 24 2HD2 ASN 24 -19.275 -5.948 -0.515 202 H GLY 25 H GLY 25 -19.633 0.291 -0.395 203 HA2 GLY 25 1HA GLY 25 -20.186 2.346 0.683 204 HA3 GLY 25 2HA GLY 25 -19.679 1.647 2.210 205 H TYR 26 H TYR 26 -17.339 0.652 0.294 206 HA TYR 26 HA TYR 26 -15.564 2.781 1.123 207 HB2 TYR 26 1HB TYR 26 -15.041 0.197 -0.348 208 HB3 TYR 26 2HB TYR 26 -13.793 1.296 0.229 209 HD1 TYR 26 HD1 TYR 26 -13.740 1.765 2.751 210 HD2 TYR 26 HD2 TYR 26 -15.844 -1.497 1.017 211 HE1 TYR 26 HE1 TYR 26 -13.751 0.624 4.925 212 HE2 TYR 26 HE2 TYR 26 -15.863 -2.649 3.188 213 HH TYR 26 HH TYR 26 -15.211 -1.116 6.065 214 H GLN 27 H GLN 27 -16.671 4.333 -0.265 215 HA GLN 27 HA GLN 27 -16.042 4.048 -3.117 216 HB2 GLN 27 1HB GLN 27 -17.879 6.054 -1.819 217 HB3 GLN 27 2HB GLN 27 -17.763 5.659 -3.529 218 HG2 GLN 27 1HG GLN 27 -18.579 3.405 -3.049 219 HG3 GLN 27 2HG GLN 27 -18.727 3.832 -1.348 220 HE21 GLN 27 1HE2 GLN 27 -20.766 2.924 -3.165 221 HE22 GLN 27 2HE2 GLN 27 -21.968 4.163 -3.223 222 H THR 28 H THR 28 -14.979 5.495 -0.326 223 HA THR 28 HA THR 28 -13.523 7.538 -1.854 224 HB THR 28 HB THR 28 -13.591 8.993 0.143 225 HG1 THR 28 HG1 THR 28 -15.699 7.825 1.372 226 HG21 THR 28 1HG2 THR 28 -15.953 9.667 -0.042 227 HG22 THR 28 2HG2 THR 28 -16.308 8.153 -0.876 228 HG23 THR 28 3HG2 THR 28 -15.238 9.341 -1.621 229 H LEU 29 H LEU 29 -11.479 8.147 -0.893 230 HA LEU 29 HA LEU 29 -9.972 5.919 0.020 231 HB2 LEU 29 1HB LEU 29 -9.260 8.853 0.047 232 HB3 LEU 29 2HB LEU 29 -8.133 7.513 0.169 233 HG LEU 29 HG LEU 29 -9.858 8.107 -2.236 234 HD11 LEU 29 1HD1 LEU 29 -6.914 8.566 -1.791 235 HD12 LEU 29 2HD1 LEU 29 -8.154 9.813 -1.921 236 HD13 LEU 29 3HD1 LEU 29 -7.778 8.795 -3.313 237 HD21 LEU 29 1HD2 LEU 29 -9.342 5.739 -1.954 238 HD22 LEU 29 2HD2 LEU 29 -7.623 6.125 -1.851 239 HD23 LEU 29 3HD2 LEU 29 -8.509 6.426 -3.347 240 H GLU 30 H GLU 30 -11.669 8.518 1.520 241 HA GLU 30 HA GLU 30 -10.511 8.372 4.098 242 HB2 GLU 30 1HB GLU 30 -13.226 9.364 3.227 243 HB3 GLU 30 2HB GLU 30 -12.509 9.640 4.810 244 HG2 GLU 30 1HG GLU 30 -10.673 10.871 3.756 245 HG3 GLU 30 2HG GLU 30 -11.416 10.611 2.180 246 H ASP 31 H ASP 31 -13.007 6.579 2.467 247 HA ASP 31 HA ASP 31 -13.790 5.230 4.921 248 HB2 ASP 31 1HB ASP 31 -15.286 5.870 2.826 249 HB3 ASP 31 2HB ASP 31 -14.711 4.316 2.233 250 H PHE 32 H PHE 32 -12.008 4.628 1.962 251 HA PHE 32 HA PHE 32 -11.677 1.851 2.255 252 HB2 PHE 32 1HB PHE 32 -11.337 3.066 0.140 253 HB3 PHE 32 2HB PHE 32 -9.896 3.817 0.813 254 HD1 PHE 32 HD1 PHE 32 -7.851 2.597 1.029 255 HD2 PHE 32 HD2 PHE 32 -11.345 0.688 -0.458 256 HE1 PHE 32 HE1 PHE 32 -6.477 0.726 0.224 257 HE2 PHE 32 HE2 PHE 32 -9.978 -1.194 -1.261 258 HZ PHE 32 HZ PHE 32 -7.540 -1.174 -0.921 259 H LYS 33 H LYS 33 -9.931 4.531 3.674 260 HA LYS 33 HA LYS 33 -7.642 3.057 4.446 261 HB2 LYS 33 1HB LYS 33 -7.259 4.889 6.053 262 HB3 LYS 33 2HB LYS 33 -7.607 5.472 4.432 263 HG2 LYS 33 1HG LYS 33 -9.924 5.900 5.095 264 HG3 LYS 33 2HG LYS 33 -9.543 5.355 6.728 265 HD2 LYS 33 1HD LYS 33 -9.520 7.792 6.555 266 HD3 LYS 33 2HD LYS 33 -7.931 7.153 6.974 267 HE2 LYS 33 1HE LYS 33 -7.133 7.475 4.756 268 HE3 LYS 33 2HE LYS 33 -8.748 7.842 4.161 269 HZ1 LYS 33 1HZ LYS 33 -7.520 9.861 4.419 270 HZ2 LYS 33 2HZ LYS 33 -7.130 9.484 6.024 271 HZ3 LYS 33 3HZ LYS 33 -8.733 9.823 5.605 272 H GLU 34 H GLU 34 -10.841 2.924 5.490 273 HA GLU 34 HA GLU 34 -10.151 1.782 8.093 274 HB2 GLU 34 1HB GLU 34 -12.897 2.169 6.906 275 HB3 GLU 34 2HB GLU 34 -12.495 1.872 8.591 276 HG2 GLU 34 1HG GLU 34 -11.278 4.074 8.565 277 HG3 GLU 34 2HG GLU 34 -12.000 4.358 6.984 278 H LEU 35 H LEU 35 -10.409 0.880 4.971 279 HA LEU 35 HA LEU 35 -11.692 -1.662 5.219 280 HB2 LEU 35 1HB LEU 35 -11.649 -0.404 3.124 281 HB3 LEU 35 2HB LEU 35 -9.903 -0.456 3.101 282 HG LEU 35 HG LEU 35 -11.160 -1.986 1.517 283 HD11 LEU 35 1HD1 LEU 35 -9.173 -3.284 3.365 284 HD12 LEU 35 2HD1 LEU 35 -8.758 -2.166 2.066 285 HD13 LEU 35 3HD1 LEU 35 -9.507 -3.716 1.687 286 HD21 LEU 35 1HD2 LEU 35 -11.576 -3.543 4.057 287 HD22 LEU 35 2HD2 LEU 35 -11.926 -4.105 2.423 288 HD23 LEU 35 3HD2 LEU 35 -12.837 -2.759 3.107 289 H ARG 36 H ARG 36 -10.805 -3.476 5.975 290 HA ARG 36 HA ARG 36 -7.886 -3.626 6.203 291 HB2 ARG 36 1HB ARG 36 -9.828 -4.404 8.382 292 HB3 ARG 36 2HB ARG 36 -8.076 -4.494 8.470 293 HG2 ARG 36 1HG ARG 36 -9.677 -1.959 8.184 294 HG3 ARG 36 2HG ARG 36 -8.969 -2.564 9.684 295 HD2 ARG 36 1HD ARG 36 -6.779 -2.213 8.915 296 HD3 ARG 36 2HD ARG 36 -7.302 -2.057 7.242 297 HE ARG 36 HE ARG 36 -7.923 0.134 7.637 298 HH11 ARG 36 1HH1 ARG 36 -6.894 -1.386 10.622 299 HH12 ARG 36 2HH1 ARG 36 -6.760 0.116 11.481 300 HH21 ARG 36 1HH2 ARG 36 -7.748 2.099 8.764 301 HH22 ARG 36 2HH2 ARG 36 -7.252 2.092 10.431 302 H GLU 37 H GLU 37 -7.295 -5.957 7.026 303 HA GLU 37 HA GLU 37 -7.964 -7.685 4.932 304 HB2 GLU 37 1HB GLU 37 -5.878 -7.865 6.171 305 HB3 GLU 37 2HB GLU 37 -6.760 -8.312 7.623 306 HG2 GLU 37 1HG GLU 37 -7.439 -10.377 6.672 307 HG3 GLU 37 2HG GLU 37 -6.820 -9.910 5.088 308 H THR 38 H THR 38 -9.060 -7.632 8.298 309 HA THR 38 HA THR 38 -10.682 -9.902 8.203 310 HB THR 38 HB THR 38 -11.189 -7.406 9.829 311 HG1 THR 38 HG1 THR 38 -9.723 -8.197 11.281 312 HG21 THR 38 1HG2 THR 38 -11.868 -10.298 10.360 313 HG22 THR 38 2HG2 THR 38 -13.010 -9.050 9.863 314 HG23 THR 38 3HG2 THR 38 -12.209 -8.938 11.430 315 H HIS 39 H HIS 39 -11.133 -6.706 6.969 316 HA HIS 39 HA HIS 39 -13.980 -6.905 6.634 317 HB2 HIS 39 1HB HIS 39 -11.958 -4.965 5.508 318 HB3 HIS 39 2HB HIS 39 -13.693 -4.838 5.246 319 HD1 HIS 39 HD1 HIS 39 -13.898 -2.598 6.472 320 HD2 HIS 39 HD2 HIS 39 -12.319 -5.648 8.816 321 HE1 HIS 39 HE1 HIS 39 -13.816 -1.684 8.812 322 HE2 HIS 39 HE2 HIS 39 -12.743 -3.497 10.190 323 H LEU 40 H LEU 40 -11.110 -7.466 4.690 324 HA LEU 40 HA LEU 40 -12.457 -7.926 2.239 325 HB2 LEU 40 1HB LEU 40 -9.747 -8.369 3.296 326 HB3 LEU 40 2HB LEU 40 -10.236 -9.467 2.018 327 HG LEU 40 HG LEU 40 -10.682 -7.597 0.537 328 HD11 LEU 40 1HD1 LEU 40 -11.380 -6.049 2.349 329 HD12 LEU 40 2HD1 LEU 40 -10.316 -5.347 1.134 330 HD13 LEU 40 3HD1 LEU 40 -9.671 -5.803 2.713 331 HD21 LEU 40 1HD2 LEU 40 -7.997 -7.504 1.881 332 HD22 LEU 40 2HD2 LEU 40 -8.379 -6.700 0.359 333 HD23 LEU 40 3HD2 LEU 40 -8.463 -8.456 0.471 334 H ASN 41 H ASN 41 -11.672 -9.952 4.980 335 HA ASN 41 HA ASN 41 -12.468 -12.421 3.927 336 HB2 ASN 41 1HB ASN 41 -12.745 -11.360 6.745 337 HB3 ASN 41 2HB ASN 41 -12.999 -13.040 6.293 338 HD21 ASN 41 1HD2 ASN 41 -11.128 -12.069 8.174 339 HD22 ASN 41 2HD2 ASN 41 -9.546 -12.464 7.597 340 H GLU 42 H GLU 42 -14.266 -9.706 5.146 341 HA GLU 42 HA GLU 42 -16.831 -10.983 5.063 342 HB2 GLU 42 1HB GLU 42 -16.067 -8.065 5.188 343 HB3 GLU 42 2HB GLU 42 -17.683 -8.703 5.447 344 HG2 GLU 42 1HG GLU 42 -15.292 -9.392 7.130 345 HG3 GLU 42 2HG GLU 42 -16.466 -8.142 7.524 346 H LEU 43 H LEU 43 -14.923 -8.903 2.988 347 HA LEU 43 HA LEU 43 -16.993 -8.447 1.065 348 HB2 LEU 43 1HB LEU 43 -14.021 -8.062 0.761 349 HB3 LEU 43 2HB LEU 43 -15.276 -7.342 -0.226 350 HG LEU 43 HG LEU 43 -14.769 -6.752 2.684 351 HD11 LEU 43 1HD1 LEU 43 -14.325 -5.076 0.227 352 HD12 LEU 43 2HD1 LEU 43 -13.068 -5.849 1.197 353 HD13 LEU 43 3HD1 LEU 43 -14.064 -4.572 1.898 354 HD21 LEU 43 1HD2 LEU 43 -16.752 -5.555 0.764 355 HD22 LEU 43 2HD2 LEU 43 -16.429 -4.988 2.403 356 HD23 LEU 43 3HD2 LEU 43 -17.127 -6.587 2.145 357 H ASN 44 H ASN 44 -15.198 -11.110 1.758 358 HA ASN 44 HA ASN 44 -14.981 -13.135 0.759 359 HB2 ASN 44 1HB ASN 44 -17.257 -12.585 -0.193 360 HB3 ASN 44 2HB ASN 44 -16.436 -11.997 -1.630 361 HD21 ASN 44 1HD2 ASN 44 -15.635 -13.449 -3.100 362 HD22 ASN 44 2HD2 ASN 44 -15.889 -15.155 -2.984 363 H ILE 45 H ILE 45 -13.323 -10.598 0.168 364 HA ILE 45 HA ILE 45 -11.974 -11.345 -2.279 365 HB ILE 45 HB ILE 45 -11.166 -9.278 -0.231 366 HG12 ILE 45 1HG1 ILE 45 -12.644 -8.950 -2.850 367 HG13 ILE 45 2HG1 ILE 45 -13.377 -8.835 -1.255 368 HG21 ILE 45 1HG2 ILE 45 -10.252 -9.714 -3.076 369 HG22 ILE 45 2HG2 ILE 45 -9.305 -10.029 -1.622 370 HG23 ILE 45 3HG2 ILE 45 -9.762 -8.376 -2.035 371 HD11 ILE 45 1HD1 ILE 45 -12.084 -6.872 -0.757 372 HD12 ILE 45 2HD1 ILE 45 -12.928 -6.649 -2.290 373 HD13 ILE 45 3HD1 ILE 45 -11.205 -7.025 -2.279 374 H MET 46 H MET 46 -11.516 -13.479 -1.618 375 HA MET 46 HA MET 46 -9.720 -13.923 0.602 376 HB2 MET 46 1HB MET 46 -10.736 -15.865 -1.473 377 HB3 MET 46 2HB MET 46 -9.956 -16.279 0.046 378 HG2 MET 46 1HG MET 46 -12.480 -14.686 0.032 379 HG3 MET 46 2HG MET 46 -12.528 -16.431 -0.171 380 HE1 MET 46 1HE MET 46 -10.186 -14.173 2.357 381 HE2 MET 46 2HE MET 46 -11.387 -14.131 3.644 382 HE3 MET 46 3HE MET 46 -11.761 -13.438 2.067 383 H ASP 47 H ASP 47 -9.396 -12.910 -2.475 384 HA ASP 47 HA ASP 47 -7.136 -14.154 -3.532 385 HB2 ASP 47 1HB ASP 47 -7.956 -11.249 -3.632 386 HB3 ASP 47 2HB ASP 47 -6.773 -11.990 -4.697 387 HA PRO 48 HA PRO 48 -4.592 -13.224 0.038 388 HB2 PRO 48 1HB PRO 48 -2.457 -14.438 -1.596 389 HB3 PRO 48 2HB PRO 48 -3.045 -14.883 0.004 390 HG2 PRO 48 1HG PRO 48 -3.610 -16.376 -2.126 391 HG3 PRO 48 2HG PRO 48 -4.792 -16.130 -0.830 392 HD2 PRO 48 1HD PRO 48 -4.642 -14.843 -3.523 393 HD3 PRO 48 2HD PRO 48 -6.058 -15.432 -2.629 394 H GLN 49 H GLN 49 -3.002 -12.801 -3.146 395 HA GLN 49 HA GLN 49 -1.247 -10.795 -2.127 396 HB2 GLN 49 1HB GLN 49 -1.902 -11.742 -4.902 397 HB3 GLN 49 2HB GLN 49 -0.820 -10.387 -4.619 398 HG2 GLN 49 1HG GLN 49 0.689 -11.781 -3.380 399 HG3 GLN 49 2HG GLN 49 -0.425 -13.140 -3.475 400 HE21 GLN 49 1HE2 GLN 49 1.887 -11.206 -5.171 401 HE22 GLN 49 2HE2 GLN 49 2.035 -12.228 -6.556 402 H HIS 50 H HIS 50 -4.323 -10.812 -3.764 403 HA HIS 50 HA HIS 50 -4.423 -8.034 -4.329 404 HB2 HIS 50 1HB HIS 50 -6.645 -10.034 -3.949 405 HB3 HIS 50 2HB HIS 50 -6.869 -8.411 -4.580 406 HD1 HIS 50 HD1 HIS 50 -7.754 -10.571 -6.441 407 HD2 HIS 50 HD2 HIS 50 -3.802 -9.278 -6.291 408 HE1 HIS 50 HE1 HIS 50 -6.758 -11.166 -8.665 409 HE2 HIS 50 HE2 HIS 50 -4.344 -10.467 -8.519 410 H ARG 51 H ARG 51 -5.554 -10.019 -1.642 411 HA ARG 51 HA ARG 51 -6.581 -8.082 0.047 412 HB2 ARG 51 1HB ARG 51 -4.995 -10.590 0.579 413 HB3 ARG 51 2HB ARG 51 -5.573 -9.579 1.895 414 HG2 ARG 51 1HG ARG 51 -7.807 -10.046 1.422 415 HG3 ARG 51 2HG ARG 51 -7.432 -10.644 -0.195 416 HD2 ARG 51 1HD ARG 51 -7.984 -12.456 1.371 417 HD3 ARG 51 2HD ARG 51 -6.348 -12.588 0.739 418 HE ARG 51 HE ARG 51 -5.944 -11.288 3.050 419 HH11 ARG 51 1HH1 ARG 51 -7.793 -14.161 2.290 420 HH12 ARG 51 2HH1 ARG 51 -7.544 -14.890 3.841 421 HH21 ARG 51 1HH2 ARG 51 -5.581 -12.261 5.090 422 HH22 ARG 51 2HH2 ARG 51 -6.284 -13.820 5.428 423 H ALA 52 H ALA 52 -3.271 -9.258 -0.192 424 HA ALA 52 HA ALA 52 -2.052 -7.671 1.686 425 HB1 ALA 52 1HB ALA 52 -0.945 -8.672 -0.929 426 HB2 ALA 52 2HB ALA 52 -0.989 -9.560 0.593 427 HB3 ALA 52 3HB ALA 52 0.012 -8.118 0.440 428 H LYS 53 H LYS 53 -2.625 -6.947 -1.747 429 HA LYS 53 HA LYS 53 -1.320 -4.431 -1.702 430 HB2 LYS 53 1HB LYS 53 -3.497 -5.331 -3.590 431 HB3 LYS 53 2HB LYS 53 -2.345 -4.031 -3.858 432 HG2 LYS 53 1HG LYS 53 -0.549 -5.841 -3.591 433 HG3 LYS 53 2HG LYS 53 -1.871 -6.983 -3.835 434 HD2 LYS 53 1HD LYS 53 -1.046 -6.720 -5.977 435 HD3 LYS 53 2HD LYS 53 -2.366 -5.549 -5.948 436 HE2 LYS 53 1HE LYS 53 -0.787 -3.758 -5.475 437 HE3 LYS 53 2HE LYS 53 0.538 -4.924 -5.444 438 HZ1 LYS 53 1HZ LYS 53 0.547 -3.895 -7.560 439 HZ2 LYS 53 2HZ LYS 53 -1.114 -4.120 -7.770 440 HZ3 LYS 53 3HZ LYS 53 -0.071 -5.453 -7.800 441 H LEU 54 H LEU 54 -4.781 -5.273 -1.656 442 HA LEU 54 HA LEU 54 -5.845 -2.729 -1.457 443 HB2 LEU 54 1HB LEU 54 -6.792 -5.349 -0.317 444 HB3 LEU 54 2HB LEU 54 -7.748 -3.883 -0.247 445 HG LEU 54 HG LEU 54 -6.766 -5.077 -2.829 446 HD11 LEU 54 1HD1 LEU 54 -9.055 -5.941 -3.097 447 HD12 LEU 54 2HD1 LEU 54 -9.408 -5.463 -1.436 448 HD13 LEU 54 3HD1 LEU 54 -8.193 -6.701 -1.759 449 HD21 LEU 54 1HD2 LEU 54 -8.541 -3.679 -3.787 450 HD22 LEU 54 2HD2 LEU 54 -7.324 -2.725 -2.941 451 HD23 LEU 54 3HD2 LEU 54 -8.884 -3.037 -2.180 452 H LEU 55 H LEU 55 -4.786 -4.884 1.132 453 HA LEU 55 HA LEU 55 -5.574 -3.214 3.260 454 HB2 LEU 55 1HB LEU 55 -3.641 -5.490 3.015 455 HB3 LEU 55 2HB LEU 55 -3.773 -4.591 4.510 456 HG LEU 55 HG LEU 55 -5.618 -5.695 5.126 457 HD11 LEU 55 1HD1 LEU 55 -7.553 -6.103 3.650 458 HD12 LEU 55 2HD1 LEU 55 -6.647 -5.387 2.316 459 HD13 LEU 55 3HD1 LEU 55 -7.072 -4.408 3.722 460 HD21 LEU 55 1HD2 LEU 55 -4.954 -7.370 2.714 461 HD22 LEU 55 2HD2 LEU 55 -6.011 -7.864 4.038 462 HD23 LEU 55 3HD2 LEU 55 -4.301 -7.553 4.342 463 H THR 56 H THR 56 -2.465 -3.624 1.602 464 HA THR 56 HA THR 56 -0.959 -1.854 3.173 465 HB THR 56 HB THR 56 -0.634 -2.468 0.233 466 HG1 THR 56 HG1 THR 56 -0.467 -4.374 1.278 467 HG21 THR 56 1HG2 THR 56 0.655 -0.502 0.964 468 HG22 THR 56 2HG2 THR 56 1.702 -1.866 0.564 469 HG23 THR 56 3HG2 THR 56 1.374 -1.471 2.251 470 H ALA 57 H ALA 57 -2.933 -1.329 0.298 471 HA ALA 57 HA ALA 57 -2.372 1.369 -0.097 472 HB1 ALA 57 1HB ALA 57 -4.900 -0.174 -0.636 473 HB2 ALA 57 2HB ALA 57 -3.562 0.105 -1.754 474 HB3 ALA 57 3HB ALA 57 -4.569 1.453 -1.227 475 H ALA 58 H ALA 58 -4.924 -0.177 1.832 476 HA ALA 58 HA ALA 58 -6.050 2.177 2.860 477 HB1 ALA 58 1HB ALA 58 -5.942 -0.553 4.129 478 HB2 ALA 58 2HB ALA 58 -7.147 -0.003 2.962 479 HB3 ALA 58 3HB ALA 58 -7.052 0.751 4.556 480 H GLU 59 H GLU 59 -3.401 0.154 4.030 481 HA GLU 59 HA GLU 59 -2.930 1.338 6.507 482 HB2 GLU 59 1HB GLU 59 -0.907 0.243 4.541 483 HB3 GLU 59 2HB GLU 59 -0.596 0.553 6.240 484 HG2 GLU 59 1HG GLU 59 -2.645 -1.398 5.237 485 HG3 GLU 59 2HG GLU 59 -0.991 -1.827 5.648 486 H LEU 60 H LEU 60 -1.437 2.097 3.365 487 HA LEU 60 HA LEU 60 0.002 4.326 4.341 488 HB2 LEU 60 1HB LEU 60 -0.522 3.112 1.708 489 HB3 LEU 60 2HB LEU 60 -0.136 4.823 1.689 490 HG LEU 60 HG LEU 60 1.977 4.392 2.812 491 HD11 LEU 60 1HD1 LEU 60 1.131 1.504 2.765 492 HD12 LEU 60 2HD1 LEU 60 1.379 2.514 4.193 493 HD13 LEU 60 3HD1 LEU 60 2.749 2.082 3.167 494 HD21 LEU 60 1HD2 LEU 60 2.072 4.366 0.454 495 HD22 LEU 60 2HD2 LEU 60 1.405 2.738 0.378 496 HD23 LEU 60 3HD2 LEU 60 3.032 2.994 1.013 497 H LEU 61 H LEU 61 -3.142 4.052 2.713 498 HA LEU 61 HA LEU 61 -3.525 6.817 2.321 499 HB2 LEU 61 1HB LEU 61 -5.493 4.563 2.629 500 HB3 LEU 61 2HB LEU 61 -5.962 6.200 2.219 501 HG LEU 61 HG LEU 61 -4.098 4.500 0.570 502 HD11 LEU 61 1HD1 LEU 61 -5.999 4.319 -0.971 503 HD12 LEU 61 2HD1 LEU 61 -7.025 5.108 0.227 504 HD13 LEU 61 3HD1 LEU 61 -6.300 3.540 0.577 505 HD21 LEU 61 1HD2 LEU 61 -5.445 7.136 0.000 506 HD22 LEU 61 2HD2 LEU 61 -4.470 6.208 -1.141 507 HD23 LEU 61 3HD2 LEU 61 -3.726 6.892 0.304 508 H LEU 62 H LEU 62 -3.775 4.863 5.140 509 HA LEU 62 HA LEU 62 -5.480 6.614 6.614 510 HB2 LEU 62 1HB LEU 62 -5.170 4.194 7.093 511 HB3 LEU 62 2HB LEU 62 -3.538 4.544 7.626 512 HG LEU 62 HG LEU 62 -4.422 5.924 9.454 513 HD11 LEU 62 1HD1 LEU 62 -7.112 5.062 8.399 514 HD12 LEU 62 2HD1 LEU 62 -6.471 6.705 8.442 515 HD13 LEU 62 3HD1 LEU 62 -6.836 5.862 9.946 516 HD21 LEU 62 1HD2 LEU 62 -5.348 4.110 10.787 517 HD22 LEU 62 2HD2 LEU 62 -3.991 3.547 9.811 518 HD23 LEU 62 3HD2 LEU 62 -5.642 3.172 9.322 519 H ASP 63 H ASP 63 -2.091 6.446 5.948 520 HA ASP 63 HA ASP 63 -1.547 8.545 7.932 521 HB2 ASP 63 1HB ASP 63 0.211 6.542 6.550 522 HB3 ASP 63 2HB ASP 63 0.894 7.980 7.298 523 H TYR 64 H TYR 64 -1.071 7.732 4.540 524 HA TYR 64 HA TYR 64 0.095 10.343 3.983 525 HB2 TYR 64 1HB TYR 64 -0.280 7.892 2.258 526 HB3 TYR 64 2HB TYR 64 0.505 9.373 1.726 527 HD1 TYR 64 HD1 TYR 64 0.835 6.348 3.724 528 HD2 TYR 64 HD2 TYR 64 2.686 10.003 2.611 529 HE1 TYR 64 HE1 TYR 64 2.972 5.522 4.595 530 HE2 TYR 64 HE2 TYR 64 4.833 9.197 3.481 531 HH TYR 64 HH TYR 64 5.687 7.553 5.057 532 H ASP 65 H ASP 65 -2.484 10.653 4.706 533 HA ASP 65 HA ASP 65 -4.219 10.587 2.400 534 HB2 ASP 65 1HB ASP 65 -5.021 10.194 4.740 535 HB3 ASP 65 2HB ASP 65 -4.701 11.890 5.084 536 H THR 66 H THR 66 -2.178 11.959 1.575 537 HA THR 66 HA THR 66 -1.307 13.929 0.841 538 HB THR 66 HB THR 66 -3.051 15.407 -0.268 539 HG1 THR 66 HG1 THR 66 -5.122 14.066 -0.451 540 HG21 THR 66 1HG2 THR 66 -3.128 12.471 -0.934 541 HG22 THR 66 2HG2 THR 66 -1.838 13.578 -1.399 542 HG23 THR 66 3HG2 THR 66 -3.470 13.808 -2.031 543 H GLY 67 H GLY 67 -1.493 14.041 3.628 544 HA2 GLY 67 1HA GLY 67 -2.717 16.618 4.271 545 HA3 GLY 67 2HA GLY 67 -2.111 15.439 5.424 546 H CYS 68 H CYS 68 -0.322 16.539 2.648 547 HA CYS 68 HA CYS 68 1.621 17.674 2.381 548 HB2 CYS 68 1HB CYS 68 0.777 19.067 4.923 549 HB3 CYS 68 2HB CYS 68 2.007 19.628 3.800 550 H GLU 69 H GLU 69 3.734 18.344 3.672 551 HA GLU 69 HA GLU 69 4.653 15.958 4.990 552 HB2 GLU 69 1HB GLU 69 6.042 18.592 4.453 553 HB3 GLU 69 2HB GLU 69 6.823 17.169 5.125 554 HG2 GLU 69 1HG GLU 69 6.284 15.938 3.060 555 HG3 GLU 69 2HG GLU 69 5.600 17.416 2.387 556 H1 GLY 1 1H GLY 1 1.557 10.328 10.022 557 H2 GLY 1 2H GLY 1 3.059 10.887 9.487 558 H3 GLY 1 3H GLY 1 2.944 10.051 10.945 559 HA2 GLY 1 2HA GLY 1 2.285 8.043 9.787 560 HA3 GLY 1 1HA GLY 1 2.394 8.918 8.266 561 HA PRO 2 HA PRO 2 6.483 6.762 9.231 562 HB2 PRO 2 1HB PRO 2 6.144 5.960 6.408 563 HB3 PRO 2 2HB PRO 2 6.630 4.992 7.803 564 HG2 PRO 2 1HG PRO 2 4.210 4.712 6.717 565 HG3 PRO 2 2HG PRO 2 4.450 4.611 8.472 566 HD2 PRO 2 1HD PRO 2 3.382 6.878 6.833 567 HD3 PRO 2 2HD PRO 2 2.836 6.272 8.412 568 H LYS 3 H LYS 3 7.894 8.367 9.213 569 HA LYS 3 HA LYS 3 8.116 10.167 6.960 570 HB2 LYS 3 1HB LYS 3 9.701 10.008 9.522 571 HB3 LYS 3 2HB LYS 3 9.798 11.302 8.342 572 HG2 LYS 3 1HG LYS 3 7.323 10.572 9.885 573 HG3 LYS 3 2HG LYS 3 8.433 11.871 10.316 574 HD2 LYS 3 1HD LYS 3 6.910 11.687 7.717 575 HD3 LYS 3 2HD LYS 3 6.430 12.667 9.102 576 HE2 LYS 3 1HE LYS 3 9.008 12.954 7.564 577 HE3 LYS 3 2HE LYS 3 7.594 13.987 7.387 578 HZ1 LYS 3 1HZ LYS 3 9.229 15.010 8.820 579 HZ2 LYS 3 2HZ LYS 3 9.221 13.672 9.853 580 HZ3 LYS 3 3HZ LYS 3 7.839 14.638 9.711 581 H THR 4 H THR 4 9.555 7.283 8.080 582 HA THR 4 HA THR 4 11.709 7.619 6.118 583 HB THR 4 HB THR 4 13.138 6.167 7.496 584 HG1 THR 4 HG1 THR 4 12.181 6.177 9.848 585 HG21 THR 4 1HG2 THR 4 13.607 7.779 9.295 586 HG22 THR 4 2HG2 THR 4 12.080 8.592 8.943 587 HG23 THR 4 3HG2 THR 4 13.368 8.570 7.736 588 H LEU 5 H LEU 5 12.641 5.430 5.483 589 HA LEU 5 HA LEU 5 10.581 3.922 4.285 590 HB2 LEU 5 1HB LEU 5 12.946 4.289 3.461 591 HB3 LEU 5 2HB LEU 5 13.463 3.115 4.650 592 HG LEU 5 HG LEU 5 13.095 2.407 2.175 593 HD11 LEU 5 1HD1 LEU 5 12.052 0.811 4.503 594 HD12 LEU 5 2HD1 LEU 5 13.712 0.856 3.905 595 HD13 LEU 5 3HD1 LEU 5 12.434 0.154 2.911 596 HD21 LEU 5 1HD2 LEU 5 10.291 2.227 3.259 597 HD22 LEU 5 2HD2 LEU 5 10.855 1.596 1.711 598 HD23 LEU 5 3HD2 LEU 5 10.841 3.335 2.001 599 H HIS 6 H HIS 6 12.724 3.360 7.023 600 HA HIS 6 HA HIS 6 12.021 0.781 7.721 601 HB2 HIS 6 1HB HIS 6 13.833 1.999 8.798 602 HB3 HIS 6 2HB HIS 6 12.688 3.119 9.517 603 HD1 HIS 6 HD1 HIS 6 11.688 2.481 11.745 604 HD2 HIS 6 HD2 HIS 6 13.714 -0.663 9.918 605 HE1 HIS 6 HE1 HIS 6 11.807 0.651 13.459 606 HE2 HIS 6 HE2 HIS 6 13.201 -1.153 12.402 607 H GLU 7 H GLU 7 10.451 3.820 8.662 608 HA GLU 7 HA GLU 7 8.568 2.605 10.390 609 HB2 GLU 7 1HB GLU 7 8.359 5.253 8.961 610 HB3 GLU 7 2HB GLU 7 7.419 4.754 10.360 611 HG2 GLU 7 1HG GLU 7 10.368 5.298 10.237 612 HG3 GLU 7 2HG GLU 7 9.138 6.230 11.084 613 H LEU 8 H LEU 8 8.643 3.286 6.984 614 HA LEU 8 HA LEU 8 5.882 2.893 6.472 615 HB2 LEU 8 1HB LEU 8 7.587 4.085 5.035 616 HB3 LEU 8 2HB LEU 8 8.175 2.509 4.558 617 HG LEU 8 HG LEU 8 6.595 3.702 2.968 618 HD11 LEU 8 1HD1 LEU 8 7.110 1.396 2.629 619 HD12 LEU 8 2HD1 LEU 8 5.373 1.617 2.409 620 HD13 LEU 8 3HD1 LEU 8 5.990 0.914 3.902 621 HD21 LEU 8 1HD2 LEU 8 4.230 3.534 3.397 622 HD22 LEU 8 2HD2 LEU 8 5.008 4.458 4.681 623 HD23 LEU 8 3HD2 LEU 8 4.540 2.780 4.961 624 H LEU 9 H LEU 9 8.732 0.810 6.297 625 HA LEU 9 HA LEU 9 7.417 -1.485 5.348 626 HB2 LEU 9 1HB LEU 9 9.976 -0.972 6.787 627 HB3 LEU 9 2HB LEU 9 9.402 -2.620 6.653 628 HG LEU 9 HG LEU 9 11.063 -1.844 4.897 629 HD11 LEU 9 1HD1 LEU 9 8.395 -2.924 4.021 630 HD12 LEU 9 2HD1 LEU 9 9.761 -3.862 4.629 631 HD13 LEU 9 3HD1 LEU 9 9.890 -3.014 3.087 632 HD21 LEU 9 1HD2 LEU 9 10.036 0.361 4.506 633 HD22 LEU 9 2HD2 LEU 9 8.641 -0.446 3.789 634 HD23 LEU 9 3HD2 LEU 9 10.226 -0.583 3.030 635 H GLU 10 H GLU 10 8.042 -0.347 8.649 636 HA GLU 10 HA GLU 10 6.836 -2.573 9.921 637 HB2 GLU 10 1HB GLU 10 7.156 0.262 10.911 638 HB3 GLU 10 2HB GLU 10 6.675 -1.103 11.908 639 HG2 GLU 10 1HG GLU 10 8.865 -2.175 11.259 640 HG3 GLU 10 2HG GLU 10 9.323 -0.609 10.591 641 H ARG 11 H ARG 11 5.605 0.294 8.437 642 HA ARG 11 HA ARG 11 3.064 0.383 9.663 643 HB2 ARG 11 1HB ARG 11 4.437 2.051 8.062 644 HB3 ARG 11 2HB ARG 11 3.383 1.319 6.861 645 HG2 ARG 11 1HG ARG 11 2.442 2.678 9.374 646 HG3 ARG 11 2HG ARG 11 2.520 3.429 7.781 647 HD2 ARG 11 1HD ARG 11 0.880 1.966 6.913 648 HD3 ARG 11 2HD ARG 11 0.949 0.929 8.339 649 HE ARG 11 HE ARG 11 0.035 3.730 8.530 650 HH11 ARG 11 1HH1 ARG 11 -0.598 0.293 8.914 651 HH12 ARG 11 2HH1 ARG 11 -2.005 0.552 9.893 652 HH21 ARG 11 1HH2 ARG 11 -1.787 4.039 9.823 653 HH22 ARG 11 2HH2 ARG 11 -2.669 2.671 10.428 654 H ILE 12 H ILE 12 4.281 -1.104 6.696 655 HA ILE 12 HA ILE 12 1.638 -2.176 6.113 656 HB ILE 12 HB ILE 12 2.593 -2.903 3.984 657 HG12 ILE 12 1HG1 ILE 12 5.144 -1.592 4.957 658 HG13 ILE 12 2HG1 ILE 12 4.906 -3.327 4.784 659 HG21 ILE 12 1HG2 ILE 12 3.156 -0.043 4.741 660 HG22 ILE 12 2HG2 ILE 12 1.619 -0.701 4.171 661 HG23 ILE 12 3HG2 ILE 12 3.015 -0.645 3.089 662 HD11 ILE 12 1HD1 ILE 12 4.823 -1.302 2.563 663 HD12 ILE 12 2HD1 ILE 12 4.573 -3.039 2.382 664 HD13 ILE 12 3HD1 ILE 12 6.142 -2.422 2.908 665 H GLY 13 H GLY 13 4.362 -3.152 7.789 666 HA2 GLY 13 1HA GLY 13 4.438 -5.111 9.063 667 HA3 GLY 13 2HA GLY 13 3.199 -5.804 8.030 668 H LEU 14 H LEU 14 6.045 -4.322 6.698 669 HA LEU 14 HA LEU 14 7.093 -6.997 6.072 670 HB2 LEU 14 1HB LEU 14 6.910 -4.551 4.358 671 HB3 LEU 14 2HB LEU 14 8.159 -5.744 4.068 672 HG LEU 14 HG LEU 14 6.456 -6.317 2.586 673 HD11 LEU 14 1HD1 LEU 14 7.315 -8.209 3.894 674 HD12 LEU 14 2HD1 LEU 14 5.669 -8.459 3.310 675 HD13 LEU 14 3HD1 LEU 14 5.947 -8.033 4.996 676 HD21 LEU 14 1HD2 LEU 14 4.107 -6.577 3.233 677 HD22 LEU 14 2HD2 LEU 14 4.685 -4.923 3.407 678 HD23 LEU 14 3HD2 LEU 14 4.495 -5.946 4.832 679 H GLU 15 H GLU 15 7.652 -5.230 8.317 680 HA GLU 15 HA GLU 15 10.117 -3.943 8.063 681 HB2 GLU 15 1HB GLU 15 10.285 -4.182 10.502 682 HB3 GLU 15 2HB GLU 15 8.692 -3.636 9.999 683 HG2 GLU 15 1HG GLU 15 7.797 -5.860 10.301 684 HG3 GLU 15 2HG GLU 15 9.398 -6.469 10.713 685 H GLU 16 H GLU 16 9.325 -7.248 8.042 686 HA GLU 16 HA GLU 16 11.748 -8.409 8.852 687 HB2 GLU 16 1HB GLU 16 10.974 -10.367 7.527 688 HB3 GLU 16 2HB GLU 16 9.755 -9.747 8.632 689 HG2 GLU 16 1HG GLU 16 8.633 -8.616 6.811 690 HG3 GLU 16 2HG GLU 16 9.890 -9.133 5.688 691 H HIS 17 H HIS 17 10.884 -6.665 6.022 692 HA HIS 17 HA HIS 17 13.281 -7.662 4.630 693 HB2 HIS 17 1HB HIS 17 10.648 -6.699 3.547 694 HB3 HIS 17 2HB HIS 17 12.090 -6.761 2.547 695 HD1 HIS 17 HD1 HIS 17 13.272 -9.328 2.656 696 HD2 HIS 17 HD2 HIS 17 9.184 -8.951 3.344 697 HE1 HIS 17 HE1 HIS 17 12.299 -11.608 2.246 698 HE2 HIS 17 HE2 HIS 17 9.848 -11.395 2.768 699 H THR 18 H THR 18 12.464 -5.163 6.470 700 HA THR 18 HA THR 18 12.890 -2.850 4.998 701 HB THR 18 HB THR 18 13.992 -3.225 7.771 702 HG1 THR 18 HG1 THR 18 12.018 -3.360 8.518 703 HG21 THR 18 1HG2 THR 18 14.525 -1.115 6.716 704 HG22 THR 18 2HG2 THR 18 13.332 -0.851 7.986 705 HG23 THR 18 3HG2 THR 18 12.831 -0.865 6.296 706 H SER 19 H SER 19 15.257 -4.987 6.540 707 HA SER 19 HA SER 19 17.575 -3.573 5.926 708 HB2 SER 19 1HB SER 19 17.237 -6.574 6.047 709 HB3 SER 19 2HB SER 19 18.747 -5.685 6.234 710 HG SER 19 HG SER 19 17.588 -4.605 8.049 711 H THR 20 H THR 20 15.775 -5.953 4.017 712 HA THR 20 HA THR 20 17.552 -6.272 1.904 713 HB THR 20 HB THR 20 14.537 -6.218 1.698 714 HG1 THR 20 HG1 THR 20 16.332 -8.275 2.519 715 HG21 THR 20 1HG2 THR 20 16.640 -7.653 0.072 716 HG22 THR 20 2HG2 THR 20 15.679 -6.270 -0.458 717 HG23 THR 20 3HG2 THR 20 14.897 -7.818 -0.132 718 H LEU 21 H LEU 21 14.901 -3.938 2.281 719 HA LEU 21 HA LEU 21 15.365 -2.572 -0.137 720 HB2 LEU 21 1HB LEU 21 13.995 -1.827 2.429 721 HB3 LEU 21 2HB LEU 21 14.178 -0.657 1.146 722 HG LEU 21 HG LEU 21 12.048 -1.458 0.779 723 HD11 LEU 21 1HD1 LEU 21 12.084 -2.808 -1.214 724 HD12 LEU 21 2HD1 LEU 21 13.728 -3.337 -0.860 725 HD13 LEU 21 3HD1 LEU 21 13.412 -1.645 -1.252 726 HD21 LEU 21 1HD2 LEU 21 12.102 -3.215 2.469 727 HD22 LEU 21 2HD2 LEU 21 13.003 -4.252 1.360 728 HD23 LEU 21 3HD2 LEU 21 11.351 -3.771 0.973 729 H LEU 22 H LEU 22 16.348 -1.837 3.193 730 HA LEU 22 HA LEU 22 17.751 0.506 2.715 731 HB2 LEU 22 1HB LEU 22 17.678 -1.538 4.827 732 HB3 LEU 22 2HB LEU 22 19.150 -0.589 4.770 733 HG LEU 22 HG LEU 22 17.930 1.456 5.118 734 HD11 LEU 22 1HD1 LEU 22 15.952 0.946 3.792 735 HD12 LEU 22 2HD1 LEU 22 15.508 1.492 5.410 736 HD13 LEU 22 3HD1 LEU 22 15.430 -0.223 5.004 737 HD21 LEU 22 1HD2 LEU 22 18.492 0.153 7.098 738 HD22 LEU 22 2HD2 LEU 22 16.954 -0.703 6.980 739 HD23 LEU 22 3HD2 LEU 22 16.976 1.027 7.325 740 H LEU 23 H LEU 23 18.898 -2.834 2.545 741 HA LEU 23 HA LEU 23 21.631 -2.183 2.162 742 HB2 LEU 23 1HB LEU 23 20.073 -4.671 1.500 743 HB3 LEU 23 2HB LEU 23 21.814 -4.544 1.379 744 HG LEU 23 HG LEU 23 20.194 -4.292 3.913 745 HD11 LEU 23 1HD1 LEU 23 20.285 -6.568 3.055 746 HD12 LEU 23 2HD1 LEU 23 21.247 -6.403 4.524 747 HD13 LEU 23 3HD1 LEU 23 22.042 -6.469 2.951 748 HD21 LEU 23 1HD2 LEU 23 22.383 -4.290 5.039 749 HD22 LEU 23 2HD2 LEU 23 22.157 -2.877 4.010 750 HD23 LEU 23 3HD2 LEU 23 23.176 -4.209 3.465 751 H ASN 24 H ASN 24 18.908 -2.371 0.038 752 HA ASN 24 HA ASN 24 20.672 -2.387 -2.292 753 HB2 ASN 24 1HB ASN 24 17.767 -3.021 -1.921 754 HB3 ASN 24 2HB ASN 24 18.411 -2.664 -3.520 755 HD21 ASN 24 1HD2 ASN 24 18.345 -4.903 -0.889 756 HD22 ASN 24 2HD2 ASN 24 19.165 -6.198 -1.696 757 H GLY 25 H GLY 25 19.653 -0.124 -0.342 758 HA2 GLY 25 1HA GLY 25 20.256 2.118 -0.894 759 HA3 GLY 25 2HA GLY 25 19.743 1.816 -2.544 760 H TYR 26 H TYR 26 17.373 0.439 -0.912 761 HA TYR 26 HA TYR 26 15.648 2.741 -1.222 762 HB2 TYR 26 1HB TYR 26 15.061 -0.106 -0.405 763 HB3 TYR 26 2HB TYR 26 13.840 1.126 -0.704 764 HD1 TYR 26 HD1 TYR 26 13.811 2.181 -3.042 765 HD2 TYR 26 HD2 TYR 26 15.837 -1.443 -2.132 766 HE1 TYR 26 HE1 TYR 26 13.807 1.590 -5.424 767 HE2 TYR 26 HE2 TYR 26 15.844 -2.047 -4.514 768 HH TYR 26 HH TYR 26 15.232 0.133 -6.944 769 H GLN 27 H GLN 27 16.772 3.899 0.498 770 HA GLN 27 HA GLN 27 16.130 2.956 3.202 771 HB2 GLN 27 1HB GLN 27 18.011 5.171 2.418 772 HB3 GLN 27 2HB GLN 27 17.885 4.383 3.982 773 HG2 GLN 27 1HG GLN 27 18.659 2.294 2.977 774 HG3 GLN 27 2HG GLN 27 18.812 3.108 1.424 775 HE21 GLN 27 1HE2 GLN 27 20.830 1.754 2.977 776 HE22 GLN 27 2HE2 GLN 27 22.058 2.919 3.320 777 H THR 28 H THR 28 15.112 5.052 0.841 778 HA THR 28 HA THR 28 13.689 6.704 2.808 779 HB THR 28 HB THR 28 13.796 8.589 1.219 780 HG1 THR 28 HG1 THR 28 15.880 7.695 -0.262 781 HG21 THR 28 1HG2 THR 28 16.170 9.148 1.548 782 HG22 THR 28 2HG2 THR 28 16.494 7.469 1.990 783 HG23 THR 28 3HG2 THR 28 15.450 8.464 3.006 784 H LEU 29 H LEU 29 11.657 7.550 2.034 785 HA LEU 29 HA LEU 29 10.115 5.645 0.606 786 HB2 LEU 29 1HB LEU 29 9.458 8.514 1.274 787 HB3 LEU 29 2HB LEU 29 8.307 7.263 0.837 788 HG LEU 29 HG LEU 29 10.032 7.232 3.313 789 HD11 LEU 29 1HD1 LEU 29 7.101 7.844 2.996 790 HD12 LEU 29 2HD1 LEU 29 8.367 9.000 3.411 791 HD13 LEU 29 3HD1 LEU 29 7.968 7.693 4.525 792 HD21 LEU 29 1HD2 LEU 29 9.469 5.011 2.476 793 HD22 LEU 29 2HD2 LEU 29 7.760 5.446 2.472 794 HD23 LEU 29 3HD2 LEU 29 8.647 5.365 3.994 795 H GLU 30 H GLU 30 11.864 8.494 -0.238 796 HA GLU 30 HA GLU 30 10.719 8.977 -2.776 797 HB2 GLU 30 1HB GLU 30 13.449 9.679 -1.701 798 HB3 GLU 30 2HB GLU 30 12.740 10.337 -3.172 799 HG2 GLU 30 1HG GLU 30 10.920 11.305 -1.842 800 HG3 GLU 30 2HG GLU 30 11.674 10.679 -0.380 801 H ASP 31 H ASP 31 13.173 6.799 -1.619 802 HA ASP 31 HA ASP 31 13.945 6.059 -4.324 803 HB2 ASP 31 1HB ASP 31 15.437 6.150 -2.129 804 HB3 ASP 31 2HB ASP 31 14.829 4.512 -1.927 805 H PHE 32 H PHE 32 12.129 4.813 -1.597 806 HA PHE 32 HA PHE 32 11.745 2.189 -2.539 807 HB2 PHE 32 1HB PHE 32 11.424 2.871 -0.195 808 HB3 PHE 32 2HB PHE 32 10.002 3.793 -0.666 809 HD1 PHE 32 HD1 PHE 32 7.931 2.703 -1.161 810 HD2 PHE 32 HD2 PHE 32 11.380 0.423 -0.179 811 HE1 PHE 32 HE1 PHE 32 6.517 0.722 -0.822 812 HE2 PHE 32 HE2 PHE 32 9.973 -1.569 0.155 813 HZ PHE 32 HZ PHE 32 7.536 -1.418 -0.166 814 H LYS 33 H LYS 33 10.056 5.165 -3.275 815 HA LYS 33 HA LYS 33 7.743 3.967 -4.376 816 HB2 LYS 33 1HB LYS 33 7.406 6.135 -5.500 817 HB3 LYS 33 2HB LYS 33 7.760 6.308 -3.786 818 HG2 LYS 33 1HG LYS 33 10.087 6.836 -4.330 819 HG3 LYS 33 2HG LYS 33 9.702 6.704 -6.046 820 HD2 LYS 33 1HD LYS 33 9.727 9.033 -5.292 821 HD3 LYS 33 2HD LYS 33 8.129 8.542 -5.855 822 HE2 LYS 33 1HE LYS 33 7.321 8.337 -3.627 823 HE3 LYS 33 2HE LYS 33 8.939 8.518 -2.958 824 HZ1 LYS 33 1HZ LYS 33 7.753 10.565 -2.726 825 HZ2 LYS 33 2HZ LYS 33 7.363 10.590 -4.375 826 HZ3 LYS 33 3HZ LYS 33 8.968 10.787 -3.887 827 H GLU 34 H GLU 34 10.947 4.028 -5.426 828 HA GLU 34 HA GLU 34 10.244 3.543 -8.222 829 HB2 GLU 34 1HB GLU 34 12.992 3.579 -6.978 830 HB3 GLU 34 2HB GLU 34 12.592 3.694 -8.684 831 HG2 GLU 34 1HG GLU 34 11.425 5.860 -8.145 832 HG3 GLU 34 2HG GLU 34 12.150 5.749 -6.543 833 H LEU 35 H LEU 35 10.464 1.919 -5.405 834 HA LEU 35 HA LEU 35 11.703 -0.515 -6.251 835 HB2 LEU 35 1HB LEU 35 11.675 0.208 -3.916 836 HB3 LEU 35 2HB LEU 35 9.929 0.185 -3.906 837 HG LEU 35 HG LEU 35 11.149 -1.702 -2.734 838 HD11 LEU 35 1HD1 LEU 35 9.144 -2.483 -4.835 839 HD12 LEU 35 2HD1 LEU 35 8.746 -1.695 -3.308 840 HD13 LEU 35 3HD1 LEU 35 9.461 -3.306 -3.307 841 HD21 LEU 35 1HD2 LEU 35 11.540 -2.620 -5.572 842 HD22 LEU 35 2HD2 LEU 35 11.876 -3.560 -4.118 843 HD23 LEU 35 3HD2 LEU 35 12.815 -2.108 -4.466 844 H ARG 36 H ARG 36 10.783 -2.083 -7.419 845 HA ARG 36 HA ARG 36 7.862 -2.113 -7.671 846 HB2 ARG 36 1HB ARG 36 9.794 -2.389 -9.978 847 HB3 ARG 36 2HB ARG 36 8.040 -2.422 -10.080 848 HG2 ARG 36 1HG ARG 36 9.690 -0.059 -9.201 849 HG3 ARG 36 2HG ARG 36 8.973 -0.274 -10.799 850 HD2 ARG 36 1HD ARG 36 6.786 -0.075 -9.961 851 HD3 ARG 36 2HD ARG 36 7.313 -0.329 -8.300 852 HE ARG 36 HE ARG 36 7.975 1.880 -8.169 853 HH11 ARG 36 1HH1 ARG 36 6.908 1.127 -11.418 854 HH12 ARG 36 2HH1 ARG 36 6.833 2.788 -11.911 855 HH21 ARG 36 1HH2 ARG 36 7.863 4.057 -8.801 856 HH22 ARG 36 2HH2 ARG 36 7.386 4.458 -10.424 857 H GLU 37 H GLU 37 7.228 -4.169 -9.025 858 HA GLU 37 HA GLU 37 7.850 -6.357 -7.397 859 HB2 GLU 37 1HB GLU 37 5.768 -6.199 -8.642 860 HB3 GLU 37 2HB GLU 37 6.648 -6.305 -10.160 861 HG2 GLU 37 1HG GLU 37 7.281 -8.551 -9.730 862 HG3 GLU 37 2HG GLU 37 6.670 -8.462 -8.078 863 H THR 38 H THR 38 8.962 -5.538 -10.656 864 HA THR 38 HA THR 38 10.543 -7.795 -11.102 865 HB THR 38 HB THR 38 11.100 -4.991 -12.088 866 HG1 THR 38 HG1 THR 38 9.636 -5.416 -13.704 867 HG21 THR 38 1HG2 THR 38 11.736 -7.686 -13.292 868 HG22 THR 38 2HG2 THR 38 12.897 -6.609 -12.517 869 HG23 THR 38 3HG2 THR 38 12.099 -6.117 -14.011 870 H HIS 39 H HIS 39 11.049 -4.989 -9.149 871 HA HIS 39 HA HIS 39 13.890 -5.317 -8.877 872 HB2 HIS 39 1HB HIS 39 11.901 -3.663 -7.317 873 HB3 HIS 39 2HB HIS 39 13.639 -3.634 -7.036 874 HD1 HIS 39 HD1 HIS 39 13.883 -1.171 -7.695 875 HD2 HIS 39 HD2 HIS 39 12.259 -3.548 -10.693 876 HE1 HIS 39 HE1 HIS 39 13.828 0.273 -9.752 877 HE2 HIS 39 HE2 HIS 39 12.720 -1.140 -11.519 878 H LEU 40 H LEU 40 11.001 -6.271 -7.120 879 HA LEU 40 HA LEU 40 12.327 -7.324 -4.846 880 HB2 LEU 40 1HB LEU 40 9.614 -7.445 -5.975 881 HB3 LEU 40 2HB LEU 40 10.074 -8.827 -4.997 882 HG LEU 40 HG LEU 40 10.552 -7.373 -3.114 883 HD11 LEU 40 1HD1 LEU 40 11.287 -5.452 -4.505 884 HD12 LEU 40 2HD1 LEU 40 10.233 -5.039 -3.155 885 HD13 LEU 40 3HD1 LEU 40 9.585 -5.093 -4.796 886 HD21 LEU 40 1HD2 LEU 40 7.876 -6.910 -4.392 887 HD22 LEU 40 2HD2 LEU 40 8.267 -6.497 -2.724 888 HD23 LEU 40 3HD2 LEU 40 8.316 -8.179 -3.249 889 H ASN 41 H ASN 41 11.513 -8.625 -7.990 890 HA ASN 41 HA ASN 41 12.249 -11.291 -7.553 891 HB2 ASN 41 1HB ASN 41 12.568 -9.600 -10.039 892 HB3 ASN 41 2HB ASN 41 12.779 -11.343 -9.996 893 HD21 ASN 41 1HD2 ASN 41 10.946 -9.893 -11.593 894 HD22 ASN 41 2HD2 ASN 41 9.349 -10.372 -11.132 895 H GLU 42 H GLU 42 14.111 -8.407 -8.109 896 HA GLU 42 HA GLU 42 16.649 -9.718 -8.324 897 HB2 GLU 42 1HB GLU 42 15.940 -6.839 -7.751 898 HB3 GLU 42 2HB GLU 42 17.545 -7.427 -8.156 899 HG2 GLU 42 1HG GLU 42 15.146 -7.647 -9.952 900 HG3 GLU 42 2HG GLU 42 16.355 -6.370 -10.043 901 H LEU 43 H LEU 43 14.777 -8.147 -5.811 902 HA LEU 43 HA LEU 43 16.847 -8.205 -3.837 903 HB2 LEU 43 1HB LEU 43 13.884 -7.844 -3.445 904 HB3 LEU 43 2HB LEU 43 15.149 -7.406 -2.316 905 HG LEU 43 HG LEU 43 14.664 -6.127 -5.002 906 HD11 LEU 43 1HD1 LEU 43 14.243 -5.076 -2.215 907 HD12 LEU 43 2HD1 LEU 43 12.975 -5.571 -3.340 908 HD13 LEU 43 3HD1 LEU 43 13.999 -4.183 -3.718 909 HD21 LEU 43 1HD2 LEU 43 16.666 -5.461 -2.854 910 HD22 LEU 43 2HD2 LEU 43 16.359 -4.515 -4.311 911 HD23 LEU 43 3HD2 LEU 43 17.024 -6.144 -4.441 912 H ASN 44 H ASN 44 14.993 -10.586 -5.135 913 HA ASN 44 HA ASN 44 14.734 -12.785 -4.651 914 HB2 ASN 44 1HB ASN 44 17.016 -12.538 -3.605 915 HB3 ASN 44 2HB ASN 44 16.210 -12.276 -2.068 916 HD21 ASN 44 1HD2 ASN 44 15.398 -13.995 -0.959 917 HD22 ASN 44 2HD2 ASN 44 15.601 -15.637 -1.457 918 H ILE 45 H ILE 45 13.132 -10.428 -3.469 919 HA ILE 45 HA ILE 45 11.758 -11.709 -1.272 920 HB ILE 45 HB ILE 45 10.998 -9.199 -2.768 921 HG12 ILE 45 1HG1 ILE 45 12.474 -9.533 -0.147 922 HG13 ILE 45 2HG1 ILE 45 13.215 -9.057 -1.669 923 HG21 ILE 45 1HG2 ILE 45 10.066 -10.281 -0.106 924 HG22 ILE 45 2HG2 ILE 45 9.118 -10.221 -1.592 925 HG23 ILE 45 3HG2 ILE 45 9.608 -8.724 -0.799 926 HD11 ILE 45 1HD1 ILE 45 11.964 -7.006 -1.685 927 HD12 ILE 45 2HD1 ILE 45 12.805 -7.172 -0.144 928 HD13 ILE 45 3HD1 ILE 45 11.076 -7.500 -0.244 929 H MET 46 H MET 46 11.256 -13.614 -2.420 930 HA MET 46 HA MET 46 9.459 -13.484 -4.680 931 HB2 MET 46 1HB MET 46 10.436 -15.879 -3.124 932 HB3 MET 46 2HB MET 46 9.650 -15.911 -4.693 933 HG2 MET 46 1HG MET 46 12.202 -14.412 -4.314 934 HG3 MET 46 2HG MET 46 12.215 -16.158 -4.528 935 HE1 MET 46 1HE MET 46 9.927 -13.313 -6.446 936 HE2 MET 46 2HE MET 46 11.136 -12.996 -7.687 937 HE3 MET 46 3HE MET 46 11.518 -12.709 -5.988 938 H ASP 47 H ASP 47 9.150 -13.220 -1.449 939 HA ASP 47 HA ASP 47 6.866 -14.638 -0.711 940 HB2 ASP 47 1HB ASP 47 7.748 -11.858 0.074 941 HB3 ASP 47 2HB ASP 47 6.545 -12.805 0.934 942 HA PRO 48 HA PRO 48 4.352 -12.831 -3.958 943 HB2 PRO 48 1HB PRO 48 2.184 -14.356 -2.663 944 HB3 PRO 48 2HB PRO 48 2.773 -14.421 -4.323 945 HG2 PRO 48 1HG PRO 48 3.295 -16.387 -2.604 946 HG3 PRO 48 2HG PRO 48 4.488 -15.868 -3.806 947 HD2 PRO 48 1HD PRO 48 4.352 -15.252 -0.884 948 HD3 PRO 48 2HD PRO 48 5.761 -15.640 -1.891 949 H GLN 49 H GLN 49 2.762 -13.142 -0.761 950 HA GLN 49 HA GLN 49 1.044 -10.919 -1.275 951 HB2 GLN 49 1HB GLN 49 1.671 -12.511 1.196 952 HB3 GLN 49 2HB GLN 49 0.620 -11.106 1.244 953 HG2 GLN 49 1HG GLN 49 -0.915 -12.132 -0.288 954 HG3 GLN 49 2HG GLN 49 0.169 -13.499 -0.522 955 HE21 GLN 49 1HE2 GLN 49 -2.108 -11.972 1.589 956 HE22 GLN 49 2HE2 GLN 49 -2.293 -13.298 2.682 957 H HIS 50 H HIS 50 4.113 -11.386 0.309 958 HA HIS 50 HA HIS 50 4.267 -8.825 1.516 959 HB2 HIS 50 1HB HIS 50 6.450 -10.725 0.670 960 HB3 HIS 50 2HB HIS 50 6.705 -9.303 1.669 961 HD1 HIS 50 HD1 HIS 50 7.538 -11.856 2.968 962 HD2 HIS 50 HD2 HIS 50 3.613 -10.489 3.125 963 HE1 HIS 50 HE1 HIS 50 6.518 -12.939 4.991 964 HE2 HIS 50 HE2 HIS 50 4.117 -12.192 4.999 965 H ARG 51 H ARG 51 5.373 -10.139 -1.565 966 HA ARG 51 HA ARG 51 6.441 -7.878 -2.751 967 HB2 ARG 51 1HB ARG 51 4.806 -10.154 -3.861 968 HB3 ARG 51 2HB ARG 51 5.412 -8.872 -4.898 969 HG2 ARG 51 1HG ARG 51 7.633 -9.482 -4.547 970 HG3 ARG 51 2HG ARG 51 7.236 -10.441 -3.121 971 HD2 ARG 51 1HD ARG 51 7.761 -11.838 -5.073 972 HD3 ARG 51 2HD ARG 51 6.119 -12.084 -4.492 973 HE ARG 51 HE ARG 51 5.758 -10.258 -6.428 974 HH11 ARG 51 1HH1 ARG 51 7.541 -13.264 -6.371 975 HH12 ARG 51 2HH1 ARG 51 7.276 -13.608 -8.048 976 HH21 ARG 51 1HH2 ARG 51 5.368 -10.713 -8.633 977 HH22 ARG 51 2HH2 ARG 51 6.047 -12.156 -9.334 978 H ALA 52 H ALA 52 3.106 -9.008 -2.788 979 HA ALA 52 HA ALA 52 1.927 -6.997 -4.238 980 HB1 ALA 52 1HB ALA 52 0.787 -8.565 -1.933 981 HB2 ALA 52 2HB ALA 52 0.822 -9.067 -3.624 982 HB3 ALA 52 3HB ALA 52 -0.150 -7.683 -3.134 983 H LYS 53 H LYS 53 2.497 -7.120 -0.730 984 HA LYS 53 HA LYS 53 1.248 -4.637 -0.177 985 HB2 LYS 53 1HB LYS 53 3.398 -6.008 1.439 986 HB3 LYS 53 2HB LYS 53 2.273 -4.785 2.012 987 HG2 LYS 53 1HG LYS 53 0.440 -6.441 1.322 988 HG3 LYS 53 2HG LYS 53 1.737 -7.635 1.285 989 HD2 LYS 53 1HD LYS 53 0.910 -7.873 3.430 990 HD3 LYS 53 2HD LYS 53 2.253 -6.757 3.678 991 HE2 LYS 53 1HE LYS 53 0.716 -4.872 3.648 992 HE3 LYS 53 2HE LYS 53 -0.634 -5.969 3.341 993 HZ1 LYS 53 1HZ LYS 53 -0.627 -5.475 5.640 994 HZ2 LYS 53 2HZ LYS 53 1.028 -5.782 5.787 995 HZ3 LYS 53 3HZ LYS 53 -0.045 -7.059 5.499 996 H LEU 54 H LEU 54 4.691 -5.516 -0.428 997 HA LEU 54 HA LEU 54 5.806 -3.020 -0.013 998 HB2 LEU 54 1HB LEU 54 6.706 -5.312 -1.744 999 HB3 LEU 54 2HB LEU 54 7.692 -3.891 -1.465 1000 HG LEU 54 HG LEU 54 6.673 -5.644 0.760 1001 HD11 LEU 54 1HD1 LEU 54 8.942 -6.595 0.814 1002 HD12 LEU 54 2HD1 LEU 54 9.312 -5.742 -0.687 1003 HD13 LEU 54 3HD1 LEU 54 8.071 -6.997 -0.666 1004 HD21 LEU 54 1HD2 LEU 54 8.473 -4.553 2.021 1005 HD22 LEU 54 2HD2 LEU 54 7.281 -3.398 1.427 1006 HD23 LEU 54 3HD2 LEU 54 8.838 -3.556 0.614 1007 H LEU 55 H LEU 55 4.716 -4.476 -3.041 1008 HA LEU 55 HA LEU 55 5.547 -2.364 -4.713 1009 HB2 LEU 55 1HB LEU 55 3.564 -4.590 -5.010 1010 HB3 LEU 55 2HB LEU 55 3.721 -3.367 -6.251 1011 HG LEU 55 HG LEU 55 5.544 -4.332 -7.113 1012 HD11 LEU 55 1HD1 LEU 55 7.464 -5.122 -5.780 1013 HD12 LEU 55 2HD1 LEU 55 6.568 -4.724 -4.312 1014 HD13 LEU 55 3HD1 LEU 55 7.020 -3.449 -5.445 1015 HD21 LEU 55 1HD2 LEU 55 4.836 -6.517 -5.168 1016 HD22 LEU 55 2HD2 LEU 55 5.885 -6.706 -6.574 1017 HD23 LEU 55 3HD2 LEU 55 4.182 -6.295 -6.792 1018 H THR 56 H THR 56 2.422 -3.092 -3.197 1019 HA THR 56 HA THR 56 0.958 -0.971 -4.300 1020 HB THR 56 HB THR 56 0.609 -2.260 -1.589 1021 HG1 THR 56 HG1 THR 56 0.405 -3.858 -3.062 1022 HG21 THR 56 1HG2 THR 56 -0.635 -0.148 -1.832 1023 HG22 THR 56 2HG2 THR 56 -1.714 -1.545 -1.764 1024 HG23 THR 56 3HG2 THR 56 -1.370 -0.769 -3.310 1025 H ALA 57 H ALA 57 2.934 -1.184 -1.387 1026 HA ALA 57 HA ALA 57 2.424 1.353 -0.359 1027 HB1 ALA 57 1HB ALA 57 4.920 -0.323 -0.206 1028 HB2 ALA 57 2HB ALA 57 3.584 -0.292 0.948 1029 HB3 ALA 57 3HB ALA 57 4.618 1.123 0.756 1030 H ALA 58 H ALA 58 4.949 0.257 -2.604 1031 HA ALA 58 HA ALA 58 6.129 2.763 -3.041 1032 HB1 ALA 58 1HB ALA 58 5.972 0.417 -4.925 1033 HB2 ALA 58 2HB ALA 58 7.183 0.649 -3.662 1034 HB3 ALA 58 3HB ALA 58 7.109 1.763 -5.030 1035 H GLU 59 H GLU 59 3.447 1.133 -4.660 1036 HA GLU 59 HA GLU 59 3.006 2.884 -6.781 1037 HB2 GLU 59 1HB GLU 59 0.953 1.395 -5.129 1038 HB3 GLU 59 2HB GLU 59 0.656 2.102 -6.705 1039 HG2 GLU 59 1HG GLU 59 2.664 -0.069 -6.194 1040 HG3 GLU 59 2HG GLU 59 1.002 -0.359 -6.691 1041 H LEU 60 H LEU 60 1.518 2.902 -3.548 1042 HA LEU 60 HA LEU 60 0.128 5.329 -3.963 1043 HB2 LEU 60 1HB LEU 60 0.615 3.516 -1.694 1044 HB3 LEU 60 2HB LEU 60 0.264 5.179 -1.271 1045 HG LEU 60 HG LEU 60 -1.854 5.070 -2.461 1046 HD11 LEU 60 1HD1 LEU 60 -1.065 2.236 -3.100 1047 HD12 LEU 60 2HD1 LEU 60 -1.287 3.560 -4.248 1048 HD13 LEU 60 3HD1 LEU 60 -2.669 2.926 -3.353 1049 HD21 LEU 60 1HD2 LEU 60 -1.958 4.489 -0.176 1050 HD22 LEU 60 2HD2 LEU 60 -1.325 2.875 -0.490 1051 HD23 LEU 60 3HD2 LEU 60 -2.943 3.308 -1.045 1052 H LEU 61 H LEU 61 3.260 4.609 -2.452 1053 HA LEU 61 HA LEU 61 3.695 7.196 -1.415 1054 HB2 LEU 61 1HB LEU 61 5.617 5.038 -2.249 1055 HB3 LEU 61 2HB LEU 61 6.120 6.522 -1.464 1056 HG LEU 61 HG LEU 61 4.214 4.519 -0.262 1057 HD11 LEU 61 1HD1 LEU 61 6.103 3.935 1.189 1058 HD12 LEU 61 2HD1 LEU 61 7.152 4.964 0.213 1059 HD13 LEU 61 3HD1 LEU 61 6.394 3.541 -0.501 1060 HD21 LEU 61 1HD2 LEU 61 5.617 6.913 0.916 1061 HD22 LEU 61 2HD2 LEU 61 4.616 5.763 1.804 1062 HD23 LEU 61 3HD2 LEU 61 3.893 6.788 0.563 1063 H LEU 62 H LEU 62 3.915 5.962 -4.616 1064 HA LEU 62 HA LEU 62 5.664 7.976 -5.631 1065 HB2 LEU 62 1HB LEU 62 5.304 5.747 -6.675 1066 HB3 LEU 62 2HB LEU 62 3.681 6.249 -7.107 1067 HG LEU 62 HG LEU 62 4.600 8.005 -8.553 1068 HD11 LEU 62 1HD1 LEU 62 7.268 6.865 -7.734 1069 HD12 LEU 62 2HD1 LEU 62 6.659 8.485 -7.388 1070 HD13 LEU 62 3HD1 LEU 62 7.015 8.013 -9.049 1071 HD21 LEU 62 1HD2 LEU 62 5.491 6.543 -10.282 1072 HD22 LEU 62 2HD2 LEU 62 4.121 5.789 -9.466 1073 HD23 LEU 62 3HD2 LEU 62 5.765 5.277 -9.085 1074 H ASP 63 H ASP 63 2.266 7.725 -5.027 1075 HA ASP 63 HA ASP 63 1.776 10.249 -6.449 1076 HB2 ASP 63 1HB ASP 63 -0.028 8.013 -5.584 1077 HB3 ASP 63 2HB ASP 63 -0.679 9.603 -5.966 1078 H TYR 64 H TYR 64 1.275 8.664 -3.348 1079 HA TYR 64 HA TYR 64 0.157 11.091 -2.188 1080 HB2 TYR 64 1HB TYR 64 0.474 8.292 -1.094 1081 HB3 TYR 64 2HB TYR 64 -0.282 9.622 -0.225 1082 HD1 TYR 64 HD1 TYR 64 -0.667 7.164 -2.882 1083 HD2 TYR 64 HD2 TYR 64 -2.445 10.488 -0.932 1084 HE1 TYR 64 HE1 TYR 64 -2.817 6.611 -3.922 1085 HE2 TYR 64 HE2 TYR 64 -4.606 9.955 -1.963 1086 HH TYR 64 HH TYR 64 -5.483 8.747 -3.896 1087 H ASP 65 H ASP 65 2.740 11.518 -2.814 1088 HA ASP 65 HA ASP 65 4.472 10.862 -0.597 1089 HB2 ASP 65 1HB ASP 65 5.270 11.021 -2.963 1090 HB3 ASP 65 2HB ASP 65 4.987 12.756 -2.896 1091 H THR 66 H THR 66 2.446 12.048 0.525 1092 HA THR 66 HA THR 66 1.620 13.800 1.717 1093 HB THR 66 HB THR 66 3.394 14.931 3.143 1094 HG1 THR 66 HG1 THR 66 5.433 13.562 3.010 1095 HG21 THR 66 1HG2 THR 66 3.397 11.919 3.093 1096 HG22 THR 66 2HG2 THR 66 2.132 12.915 3.811 1097 HG23 THR 66 3HG2 THR 66 3.766 12.948 4.475 1098 H GLY 67 H GLY 67 1.818 14.567 -0.958 1099 HA2 GLY 67 1HA GLY 67 3.097 17.198 -0.978 1100 HA3 GLY 67 2HA GLY 67 2.469 16.338 -2.377 1101 H CYS 68 H CYS 68 0.690 16.779 0.584 1102 HA CYS 68 HA CYS 68 -1.228 17.861 1.113 1103 HB2 CYS 68 1HB CYS 68 -0.348 19.804 -1.025 1104 HB3 CYS 68 2HB CYS 68 -1.567 20.107 0.206 1105 H GLU 69 H GLU 69 -3.325 18.854 0.030 1106 HA GLU 69 HA GLU 69 -4.285 16.870 -1.820 1107 HB2 GLU 69 1HB GLU 69 -5.626 19.327 -0.671 1108 HB3 GLU 69 2HB GLU 69 -6.430 18.125 -1.669 1109 HG2 GLU 69 1HG GLU 69 -5.935 16.418 0.035 1110 HG3 GLU 69 2HG GLU 69 -5.215 17.670 1.045 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 -2.643 11.061 -10.747 2 H2 GLY 1 2H GLY 1 -1.193 11.561 -10.032 3 H3 GLY 1 3H GLY 1 -2.632 12.369 -9.678 4 HA2 GLY 1 2HA GLY 1 -2.006 9.563 -8.968 5 HA3 GLY 1 1HA GLY 1 -1.994 10.925 -7.856 6 HA PRO 2 HA PRO 2 -6.301 8.931 -8.330 7 HB2 PRO 2 1HB PRO 2 -5.915 7.667 -5.736 8 HB3 PRO 2 2HB PRO 2 -6.375 6.936 -7.275 9 HG2 PRO 2 1HG PRO 2 -3.970 6.497 -6.121 10 HG3 PRO 2 2HG PRO 2 -4.205 6.511 -7.879 11 HD2 PRO 2 1HD PRO 2 -3.113 8.656 -6.096 12 HD3 PRO 2 2HD PRO 2 -2.545 8.121 -7.693 13 H LYS 3 H LYS 3 -7.726 10.431 -7.807 14 HA LYS 3 HA LYS 3 -7.520 11.779 -5.217 15 HB2 LYS 3 1HB LYS 3 -9.254 12.430 -7.603 16 HB3 LYS 3 2HB LYS 3 -9.079 13.407 -6.154 17 HG2 LYS 3 1HG LYS 3 -6.854 12.764 -8.073 18 HG3 LYS 3 2HG LYS 3 -7.784 14.260 -8.067 19 HD2 LYS 3 1HD LYS 3 -6.156 13.259 -5.735 20 HD3 LYS 3 2HD LYS 3 -5.580 14.428 -6.921 21 HE2 LYS 3 1HE LYS 3 -7.992 14.781 -5.145 22 HE3 LYS 3 2HE LYS 3 -6.408 15.502 -4.867 23 HZ1 LYS 3 1HZ LYS 3 -8.141 16.010 -7.228 24 HZ2 LYS 3 2HZ LYS 3 -6.632 16.714 -6.941 25 HZ3 LYS 3 3HZ LYS 3 -7.932 17.055 -5.915 26 H THR 4 H THR 4 -9.179 9.319 -6.802 27 HA THR 4 HA THR 4 -11.237 9.328 -4.729 28 HB THR 4 HB THR 4 -12.811 8.355 -6.452 29 HG1 THR 4 HG1 THR 4 -12.290 8.809 -8.632 30 HG21 THR 4 1HG2 THR 4 -11.861 11.191 -6.841 31 HG22 THR 4 2HG2 THR 4 -13.052 10.639 -5.661 32 HG23 THR 4 3HG2 THR 4 -13.413 10.548 -7.385 33 H LEU 5 H LEU 5 -12.440 7.106 -4.846 34 HA LEU 5 HA LEU 5 -10.549 5.241 -3.939 35 HB2 LEU 5 1HB LEU 5 -12.959 5.530 -3.226 36 HB3 LEU 5 2HB LEU 5 -13.416 4.685 -4.687 37 HG LEU 5 HG LEU 5 -13.283 3.404 -2.436 38 HD11 LEU 5 1HD1 LEU 5 -12.580 1.355 -3.608 39 HD12 LEU 5 2HD1 LEU 5 -12.050 2.347 -4.969 40 HD13 LEU 5 3HD1 LEU 5 -13.754 2.306 -4.518 41 HD21 LEU 5 1HD2 LEU 5 -11.114 2.413 -1.978 42 HD22 LEU 5 2HD2 LEU 5 -11.042 4.170 -1.842 43 HD23 LEU 5 3HD2 LEU 5 -10.390 3.369 -3.272 44 H HIS 6 H HIS 6 -12.609 5.227 -6.827 45 HA HIS 6 HA HIS 6 -11.828 2.826 -7.946 46 HB2 HIS 6 1HB HIS 6 -13.683 4.108 -8.826 47 HB3 HIS 6 2HB HIS 6 -12.608 5.414 -9.293 48 HD1 HIS 6 HD1 HIS 6 -11.665 5.339 -11.605 49 HD2 HIS 6 HD2 HIS 6 -13.293 1.689 -10.438 50 HE1 HIS 6 HE1 HIS 6 -11.652 3.889 -13.658 51 HE2 HIS 6 HE2 HIS 6 -12.465 1.639 -12.884 52 H GLU 7 H GLU 7 -10.289 5.978 -8.198 53 HA GLU 7 HA GLU 7 -8.432 5.227 -10.205 54 HB2 GLU 7 1HB GLU 7 -8.201 7.468 -8.200 55 HB3 GLU 7 2HB GLU 7 -7.345 7.338 -9.730 56 HG2 GLU 7 1HG GLU 7 -10.297 7.731 -9.336 57 HG3 GLU 7 2HG GLU 7 -9.139 8.910 -9.938 58 H LEU 8 H LEU 8 -8.443 5.176 -6.718 59 HA LEU 8 HA LEU 8 -5.680 4.645 -6.359 60 HB2 LEU 8 1HB LEU 8 -7.340 5.529 -4.666 61 HB3 LEU 8 2HB LEU 8 -7.949 3.894 -4.522 62 HG LEU 8 HG LEU 8 -6.317 4.711 -2.748 63 HD11 LEU 8 1HD1 LEU 8 -5.168 2.537 -2.614 64 HD12 LEU 8 2HD1 LEU 8 -5.750 2.163 -4.236 65 HD13 LEU 8 3HD1 LEU 8 -6.900 2.386 -2.917 66 HD21 LEU 8 1HD2 LEU 8 -3.964 4.580 -3.249 67 HD22 LEU 8 2HD2 LEU 8 -4.738 5.768 -4.298 68 HD23 LEU 8 3HD2 LEU 8 -4.319 4.175 -4.928 69 H LEU 9 H LEU 9 -8.562 2.638 -6.641 70 HA LEU 9 HA LEU 9 -7.324 0.156 -6.213 71 HB2 LEU 9 1HB LEU 9 -9.838 1.043 -7.549 72 HB3 LEU 9 2HB LEU 9 -9.303 -0.608 -7.770 73 HG LEU 9 HG LEU 9 -10.984 -0.262 -5.940 74 HD11 LEU 9 1HD1 LEU 9 -9.601 -2.245 -6.013 75 HD12 LEU 9 2HD1 LEU 9 -9.834 -1.720 -4.344 76 HD13 LEU 9 3HD1 LEU 9 -8.307 -1.395 -5.167 77 HD21 LEU 9 1HD2 LEU 9 -8.662 0.990 -4.496 78 HD22 LEU 9 2HD2 LEU 9 -10.262 0.648 -3.834 79 HD23 LEU 9 3HD2 LEU 9 -10.070 1.864 -5.099 80 H GLU 10 H GLU 10 -7.832 2.024 -9.191 81 HA GLU 10 HA GLU 10 -6.648 0.105 -10.905 82 HB2 GLU 10 1HB GLU 10 -6.896 3.100 -11.196 83 HB3 GLU 10 2HB GLU 10 -6.329 2.029 -12.469 84 HG2 GLU 10 1HG GLU 10 -8.521 0.840 -12.321 85 HG3 GLU 10 2HG GLU 10 -9.062 2.113 -11.225 86 H ARG 11 H ARG 11 -5.380 2.646 -8.892 87 HA ARG 11 HA ARG 11 -2.791 2.861 -9.945 88 HB2 ARG 11 1HB ARG 11 -4.222 4.086 -7.956 89 HB3 ARG 11 2HB ARG 11 -3.046 3.163 -7.032 90 HG2 ARG 11 1HG ARG 11 -2.321 5.055 -9.248 91 HG3 ARG 11 2HG ARG 11 -2.396 5.505 -7.547 92 HD2 ARG 11 1HD ARG 11 -0.692 3.847 -7.024 93 HD3 ARG 11 2HD ARG 11 -0.613 3.380 -8.724 94 HE ARG 11 HE ARG 11 -0.041 6.155 -7.911 95 HH11 ARG 11 1HH1 ARG 11 1.125 3.118 -9.247 96 HH12 ARG 11 2HH1 ARG 11 2.506 3.858 -9.989 97 HH21 ARG 11 1HH2 ARG 11 1.739 7.096 -8.865 98 HH22 ARG 11 2HH2 ARG 11 2.849 6.133 -9.795 99 H ILE 12 H ILE 12 -4.153 0.797 -7.423 100 HA ILE 12 HA ILE 12 -1.570 -0.478 -7.025 101 HB ILE 12 HB ILE 12 -2.607 -1.633 -5.150 102 HG12 ILE 12 1HG1 ILE 12 -5.122 -0.116 -5.891 103 HG13 ILE 12 2HG1 ILE 12 -4.892 -1.849 -6.105 104 HG21 ILE 12 1HG2 ILE 12 -1.630 0.547 -4.798 105 HG22 ILE 12 2HG2 ILE 12 -3.065 0.367 -3.784 106 HG23 ILE 12 3HG2 ILE 12 -3.144 1.327 -5.261 107 HD11 ILE 12 1HD1 ILE 12 -4.879 -0.377 -3.480 108 HD12 ILE 12 2HD1 ILE 12 -4.652 -2.115 -3.693 109 HD13 ILE 12 3HD1 ILE 12 -6.193 -1.367 -4.116 110 H GLY 13 H GLY 13 -4.378 -0.979 -8.853 111 HA2 GLY 13 1HA GLY 13 -4.470 -2.553 -10.591 112 HA3 GLY 13 2HA GLY 13 -3.237 -3.496 -9.772 113 H LEU 14 H LEU 14 -6.131 -2.315 -8.211 114 HA LEU 14 HA LEU 14 -7.224 -5.042 -8.249 115 HB2 LEU 14 1HB LEU 14 -6.997 -3.140 -5.945 116 HB3 LEU 14 2HB LEU 14 -8.254 -4.358 -5.980 117 HG LEU 14 HG LEU 14 -6.583 -5.343 -4.712 118 HD11 LEU 14 1HD1 LEU 14 -7.384 -6.791 -6.521 119 HD12 LEU 14 2HD1 LEU 14 -5.741 -7.180 -6.005 120 HD13 LEU 14 3HD1 LEU 14 -6.006 -6.289 -7.502 121 HD21 LEU 14 1HD2 LEU 14 -4.568 -4.351 -6.710 122 HD22 LEU 14 2HD2 LEU 14 -4.220 -5.383 -5.323 123 HD23 LEU 14 3HD2 LEU 14 -4.818 -3.745 -5.070 124 H GLU 15 H GLU 15 -7.755 -2.789 -9.985 125 HA GLU 15 HA GLU 15 -10.147 -1.486 -9.352 126 HB2 GLU 15 1HB GLU 15 -10.395 -1.142 -11.776 127 HB3 GLU 15 2HB GLU 15 -8.774 -0.770 -11.209 128 HG2 GLU 15 1HG GLU 15 -7.930 -2.830 -12.081 129 HG3 GLU 15 2HG GLU 15 -9.555 -3.367 -12.501 130 H GLU 16 H GLU 16 -9.507 -4.725 -10.233 131 HA GLU 16 HA GLU 16 -11.971 -5.598 -11.209 132 HB2 GLU 16 1HB GLU 16 -11.275 -7.818 -10.399 133 HB3 GLU 16 2HB GLU 16 -9.964 -6.988 -11.227 134 HG2 GLU 16 1HG GLU 16 -8.987 -6.360 -9.093 135 HG3 GLU 16 2HG GLU 16 -10.318 -7.138 -8.243 136 H HIS 17 H HIS 17 -11.085 -4.522 -8.075 137 HA HIS 17 HA HIS 17 -13.510 -5.736 -6.932 138 HB2 HIS 17 1HB HIS 17 -10.827 -5.196 -5.698 139 HB3 HIS 17 2HB HIS 17 -12.264 -5.384 -4.705 140 HD1 HIS 17 HD1 HIS 17 -13.648 -7.774 -5.718 141 HD2 HIS 17 HD2 HIS 17 -9.491 -7.530 -5.691 142 HE1 HIS 17 HE1 HIS 17 -12.828 -10.150 -5.733 143 HE2 HIS 17 HE2 HIS 17 -10.315 -9.999 -5.694 144 H THR 18 H THR 18 -12.661 -2.926 -8.171 145 HA THR 18 HA THR 18 -12.938 -1.016 -6.158 146 HB THR 18 HB THR 18 -14.068 -0.661 -8.918 147 HG1 THR 18 HG1 THR 18 -12.075 -1.158 -9.502 148 HG21 THR 18 1HG2 THR 18 -12.833 1.233 -6.925 149 HG22 THR 18 2HG2 THR 18 -14.545 1.116 -7.336 150 HG23 THR 18 3HG2 THR 18 -13.386 1.675 -8.539 151 H SER 19 H SER 19 -15.430 -2.474 -8.222 152 HA SER 19 HA SER 19 -17.635 -1.191 -7.082 153 HB2 SER 19 1HB SER 19 -17.550 -3.965 -8.277 154 HB3 SER 19 2HB SER 19 -18.967 -2.930 -8.116 155 HG SER 19 HG SER 19 -18.041 -1.488 -9.575 156 H THR 20 H THR 20 -15.864 -4.080 -6.143 157 HA THR 20 HA THR 20 -17.593 -5.067 -4.183 158 HB THR 20 HB THR 20 -14.581 -5.101 -3.991 159 HG1 THR 20 HG1 THR 20 -16.342 -6.569 -5.659 160 HG21 THR 20 1HG2 THR 20 -15.820 -5.947 -2.047 161 HG22 THR 20 2HG2 THR 20 -14.942 -7.238 -2.869 162 HG23 THR 20 3HG2 THR 20 -16.683 -7.072 -3.094 163 H LEU 21 H LEU 21 -14.877 -2.788 -3.909 164 HA LEU 21 HA LEU 21 -15.203 -2.182 -1.195 165 HB2 LEU 21 1HB LEU 21 -13.974 -0.753 -3.519 166 HB3 LEU 21 2HB LEU 21 -14.158 0.094 -2.003 167 HG LEU 21 HG LEU 21 -11.973 -0.692 -1.929 168 HD11 LEU 21 1HD1 LEU 21 -13.264 -1.273 0.094 169 HD12 LEU 21 2HD1 LEU 21 -11.877 -2.326 -0.187 170 HD13 LEU 21 3HD1 LEU 21 -13.503 -2.891 -0.567 171 HD21 LEU 21 1HD2 LEU 21 -12.085 -2.130 -3.893 172 HD22 LEU 21 2HD2 LEU 21 -12.919 -3.361 -2.944 173 HD23 LEU 21 3HD2 LEU 21 -11.257 -2.922 -2.552 174 H LEU 22 H LEU 22 -16.413 -0.496 -4.078 175 HA LEU 22 HA LEU 22 -17.812 1.544 -2.835 176 HB2 LEU 22 1HB LEU 22 -17.915 0.203 -5.456 177 HB3 LEU 22 2HB LEU 22 -19.361 1.080 -5.005 178 HG LEU 22 HG LEU 22 -18.096 3.143 -4.792 179 HD11 LEU 22 1HD1 LEU 22 -15.737 3.258 -5.374 180 HD12 LEU 22 2HD1 LEU 22 -15.693 1.506 -5.573 181 HD13 LEU 22 3HD1 LEU 22 -15.996 2.204 -3.981 182 HD21 LEU 22 1HD2 LEU 22 -18.977 2.554 -6.981 183 HD22 LEU 22 2HD2 LEU 22 -17.487 1.689 -7.359 184 HD23 LEU 22 3HD2 LEU 22 -17.458 3.438 -7.129 185 H LEU 23 H LEU 23 -18.930 -1.724 -3.614 186 HA LEU 23 HA LEU 23 -21.615 -1.320 -2.809 187 HB2 LEU 23 1HB LEU 23 -19.974 -3.829 -3.076 188 HB3 LEU 23 2HB LEU 23 -21.696 -3.817 -2.755 189 HG LEU 23 HG LEU 23 -20.365 -2.723 -5.232 190 HD11 LEU 23 1HD1 LEU 23 -22.030 -5.198 -4.820 191 HD12 LEU 23 2HD1 LEU 23 -20.292 -5.152 -5.123 192 HD13 LEU 23 3HD1 LEU 23 -21.419 -4.605 -6.364 193 HD21 LEU 23 1HD2 LEU 23 -22.675 -2.533 -6.074 194 HD22 LEU 23 2HD2 LEU 23 -22.358 -1.469 -4.706 195 HD23 LEU 23 3HD2 LEU 23 -23.272 -2.959 -4.471 196 H ASN 24 H ASN 24 -18.708 -2.018 -1.084 197 HA ASN 24 HA ASN 24 -20.229 -2.761 1.298 198 HB2 ASN 24 1HB ASN 24 -17.365 -3.107 0.491 199 HB3 ASN 24 2HB ASN 24 -17.838 -3.236 2.180 200 HD21 ASN 24 1HD2 ASN 24 -18.112 -4.624 -0.991 201 HD22 ASN 24 2HD2 ASN 24 -18.781 -6.143 -0.493 202 H GLY 25 H GLY 25 -19.490 -0.007 -0.033 203 HA2 GLY 25 1HA GLY 25 -20.096 1.969 1.153 204 HA3 GLY 25 2HA GLY 25 -19.401 1.274 2.609 205 H TYR 26 H TYR 26 -17.174 0.485 0.504 206 HA TYR 26 HA TYR 26 -15.493 2.714 1.251 207 HB2 TYR 26 1HB TYR 26 -14.909 0.181 -0.279 208 HB3 TYR 26 2HB TYR 26 -13.695 1.353 0.222 209 HD1 TYR 26 HD1 TYR 26 -13.426 1.774 2.711 210 HD2 TYR 26 HD2 TYR 26 -15.587 -1.532 1.149 211 HE1 TYR 26 HE1 TYR 26 -13.199 0.621 4.865 212 HE2 TYR 26 HE2 TYR 26 -15.375 -2.696 3.303 213 HH TYR 26 HH TYR 26 -14.504 -1.171 6.117 214 H GLN 27 H GLN 27 -16.800 4.193 -0.058 215 HA GLN 27 HA GLN 27 -16.321 3.988 -2.943 216 HB2 GLN 27 1HB GLN 27 -18.148 5.875 -1.459 217 HB3 GLN 27 2HB GLN 27 -18.099 5.600 -3.195 218 HG2 GLN 27 1HG GLN 27 -18.831 3.300 -2.846 219 HG3 GLN 27 2HG GLN 27 -18.883 3.583 -1.110 220 HE21 GLN 27 1HE2 GLN 27 -21.003 2.780 -2.934 221 HE22 GLN 27 2HE2 GLN 27 -22.244 3.975 -2.784 222 H THR 28 H THR 28 -15.037 5.343 -0.247 223 HA THR 28 HA THR 28 -13.792 7.510 -1.780 224 HB THR 28 HB THR 28 -13.807 8.910 0.256 225 HG1 THR 28 HG1 THR 28 -15.576 7.992 1.810 226 HG21 THR 28 1HG2 THR 28 -16.217 9.452 0.266 227 HG22 THR 28 2HG2 THR 28 -16.538 7.958 -0.618 228 HG23 THR 28 3HG2 THR 28 -15.585 9.241 -1.366 229 H LEU 29 H LEU 29 -11.699 8.145 -0.942 230 HA LEU 29 HA LEU 29 -10.095 5.968 -0.062 231 HB2 LEU 29 1HB LEU 29 -9.488 8.928 -0.128 232 HB3 LEU 29 2HB LEU 29 -8.303 7.651 0.079 233 HG LEU 29 HG LEU 29 -10.004 8.066 -2.378 234 HD11 LEU 29 1HD1 LEU 29 -7.927 8.758 -3.452 235 HD12 LEU 29 2HD1 LEU 29 -7.075 8.605 -1.914 236 HD13 LEU 29 3HD1 LEU 29 -8.335 9.824 -2.108 237 HD21 LEU 29 1HD2 LEU 29 -8.592 6.365 -3.382 238 HD22 LEU 29 2HD2 LEU 29 -9.442 5.725 -1.976 239 HD23 LEU 29 3HD2 LEU 29 -7.736 6.155 -1.856 240 H GLU 30 H GLU 30 -11.826 8.530 1.448 241 HA GLU 30 HA GLU 30 -10.655 8.464 4.009 242 HB2 GLU 30 1HB GLU 30 -12.127 10.267 3.090 243 HB3 GLU 30 2HB GLU 30 -13.495 9.184 3.284 244 HG2 GLU 30 1HG GLU 30 -13.308 10.810 5.104 245 HG3 GLU 30 2HG GLU 30 -13.184 9.145 5.668 246 H ASP 31 H ASP 31 -13.142 6.540 2.458 247 HA ASP 31 HA ASP 31 -13.784 5.172 4.934 248 HB2 ASP 31 1HB ASP 31 -15.352 5.684 2.862 249 HB3 ASP 31 2HB ASP 31 -14.677 4.177 2.260 250 H PHE 32 H PHE 32 -12.053 4.597 1.935 251 HA PHE 32 HA PHE 32 -11.548 1.855 2.275 252 HB2 PHE 32 1HB PHE 32 -11.318 3.078 0.136 253 HB3 PHE 32 2HB PHE 32 -9.881 3.872 0.769 254 HD1 PHE 32 HD1 PHE 32 -11.266 0.759 -0.546 255 HD2 PHE 32 HD2 PHE 32 -7.818 2.643 1.067 256 HE1 PHE 32 HE1 PHE 32 -9.878 -1.108 -1.346 257 HE2 PHE 32 HE2 PHE 32 -6.421 0.786 0.268 258 HZ PHE 32 HZ PHE 32 -7.450 -1.092 -0.940 259 H LYS 33 H LYS 33 -9.928 4.655 3.604 260 HA LYS 33 HA LYS 33 -7.510 3.360 4.279 261 HB2 LYS 33 1HB LYS 33 -7.182 5.241 5.858 262 HB3 LYS 33 2HB LYS 33 -7.603 5.759 4.232 263 HG2 LYS 33 1HG LYS 33 -9.922 6.085 4.951 264 HG3 LYS 33 2HG LYS 33 -9.467 5.612 6.587 265 HD2 LYS 33 1HD LYS 33 -9.590 8.053 6.323 266 HD3 LYS 33 2HD LYS 33 -7.967 7.510 6.751 267 HE2 LYS 33 1HE LYS 33 -7.181 7.827 4.539 268 HE3 LYS 33 2HE LYS 33 -8.814 8.025 3.910 269 HZ1 LYS 33 1HZ LYS 33 -7.661 10.144 4.112 270 HZ2 LYS 33 2HZ LYS 33 -7.452 9.896 5.772 271 HZ3 LYS 33 3HZ LYS 33 -9.009 10.096 5.136 272 H GLU 34 H GLU 34 -10.575 2.782 5.399 273 HA GLU 34 HA GLU 34 -9.626 1.781 7.996 274 HB2 GLU 34 1HB GLU 34 -12.464 1.993 6.996 275 HB3 GLU 34 2HB GLU 34 -11.950 1.626 8.633 276 HG2 GLU 34 1HG GLU 34 -10.910 3.906 8.707 277 HG3 GLU 34 2HG GLU 34 -11.706 4.233 7.170 278 H LEU 35 H LEU 35 -9.712 0.745 4.988 279 HA LEU 35 HA LEU 35 -11.165 -1.697 5.139 280 HB2 LEU 35 1HB LEU 35 -10.659 -0.401 3.066 281 HB3 LEU 35 2HB LEU 35 -8.983 -0.864 3.229 282 HG LEU 35 HG LEU 35 -10.385 -2.122 1.538 283 HD11 LEU 35 1HD1 LEU 35 -8.178 -2.853 2.353 284 HD12 LEU 35 2HD1 LEU 35 -9.243 -4.199 1.948 285 HD13 LEU 35 3HD1 LEU 35 -8.982 -3.760 3.636 286 HD21 LEU 35 1HD2 LEU 35 -11.748 -3.948 2.369 287 HD22 LEU 35 2HD2 LEU 35 -12.365 -2.400 2.950 288 HD23 LEU 35 3HD2 LEU 35 -11.440 -3.444 4.030 289 H ARG 36 H ARG 36 -10.558 -3.581 5.985 290 HA ARG 36 HA ARG 36 -7.704 -4.047 6.511 291 HB2 ARG 36 1HB ARG 36 -9.941 -4.867 8.368 292 HB3 ARG 36 2HB ARG 36 -8.215 -5.020 8.658 293 HG2 ARG 36 1HG ARG 36 -9.792 -2.461 8.492 294 HG3 ARG 36 2HG ARG 36 -9.105 -3.192 9.945 295 HD2 ARG 36 1HD ARG 36 -6.863 -2.844 9.089 296 HD3 ARG 36 2HD ARG 36 -7.514 -2.214 7.577 297 HE ARG 36 HE ARG 36 -8.169 -0.855 10.090 298 HH11 ARG 36 1HH1 ARG 36 -6.464 -0.848 7.028 299 HH12 ARG 36 2HH1 ARG 36 -6.205 0.866 7.039 300 HH21 ARG 36 1HH2 ARG 36 -7.845 1.392 10.093 301 HH22 ARG 36 2HH2 ARG 36 -7.021 2.144 8.765 302 H GLU 37 H GLU 37 -7.320 -6.460 7.038 303 HA GLU 37 HA GLU 37 -8.105 -7.962 4.804 304 HB2 GLU 37 1HB GLU 37 -6.054 -8.406 6.129 305 HB3 GLU 37 2HB GLU 37 -7.062 -9.020 7.432 306 HG2 GLU 37 1HG GLU 37 -7.907 -10.771 5.961 307 HG3 GLU 37 2HG GLU 37 -6.893 -10.159 4.656 308 H THR 38 H THR 38 -9.194 -8.086 8.165 309 HA THR 38 HA THR 38 -10.962 -10.222 7.974 310 HB THR 38 HB THR 38 -11.396 -7.769 9.677 311 HG1 THR 38 HG1 THR 38 -9.716 -10.023 10.194 312 HG21 THR 38 1HG2 THR 38 -12.080 -10.681 10.076 313 HG22 THR 38 2HG2 THR 38 -13.214 -9.370 9.753 314 HG23 THR 38 3HG2 THR 38 -12.320 -9.409 11.273 315 H HIS 39 H HIS 39 -11.233 -6.977 6.832 316 HA HIS 39 HA HIS 39 -14.090 -7.002 6.509 317 HB2 HIS 39 1HB HIS 39 -11.977 -5.174 5.346 318 HB3 HIS 39 2HB HIS 39 -13.713 -4.931 5.179 319 HD1 HIS 39 HD1 HIS 39 -12.809 -2.590 6.406 320 HD2 HIS 39 HD2 HIS 39 -13.142 -6.030 8.712 321 HE1 HIS 39 HE1 HIS 39 -12.712 -1.816 8.790 322 HE2 HIS 39 HE2 HIS 39 -12.846 -3.912 10.175 323 H LEU 40 H LEU 40 -11.256 -7.477 4.456 324 HA LEU 40 HA LEU 40 -12.610 -7.890 2.035 325 HB2 LEU 40 1HB LEU 40 -9.925 -8.434 3.101 326 HB3 LEU 40 2HB LEU 40 -10.419 -9.448 1.759 327 HG LEU 40 HG LEU 40 -10.552 -7.641 0.282 328 HD11 LEU 40 1HD1 LEU 40 -11.893 -6.168 1.669 329 HD12 LEU 40 2HD1 LEU 40 -10.533 -5.311 0.948 330 HD13 LEU 40 3HD1 LEU 40 -10.473 -5.791 2.646 331 HD21 LEU 40 1HD2 LEU 40 -8.300 -7.042 2.178 332 HD22 LEU 40 2HD2 LEU 40 -8.429 -6.457 0.521 333 HD23 LEU 40 3HD2 LEU 40 -8.268 -8.183 0.836 334 H ASN 41 H ASN 41 -11.906 -10.030 4.701 335 HA ASN 41 HA ASN 41 -12.732 -12.467 3.664 336 HB2 ASN 41 1HB ASN 41 -13.064 -11.248 6.402 337 HB3 ASN 41 2HB ASN 41 -13.601 -12.883 6.043 338 HD21 ASN 41 1HD2 ASN 41 -12.158 -13.685 7.574 339 HD22 ASN 41 2HD2 ASN 41 -10.461 -13.796 7.253 340 H GLU 42 H GLU 42 -14.599 -9.727 4.796 341 HA GLU 42 HA GLU 42 -17.146 -11.021 4.499 342 HB2 GLU 42 1HB GLU 42 -16.445 -8.112 4.901 343 HB3 GLU 42 2HB GLU 42 -18.051 -8.809 5.054 344 HG2 GLU 42 1HG GLU 42 -15.666 -9.446 6.770 345 HG3 GLU 42 2HG GLU 42 -17.043 -8.446 7.225 346 H LEU 43 H LEU 43 -15.136 -8.814 2.673 347 HA LEU 43 HA LEU 43 -17.094 -8.242 0.667 348 HB2 LEU 43 1HB LEU 43 -14.179 -7.689 0.991 349 HB3 LEU 43 2HB LEU 43 -14.929 -7.448 -0.567 350 HG LEU 43 HG LEU 43 -16.533 -5.870 0.528 351 HD11 LEU 43 1HD1 LEU 43 -15.905 -4.924 2.694 352 HD12 LEU 43 2HD1 LEU 43 -14.668 -6.171 2.864 353 HD13 LEU 43 3HD1 LEU 43 -16.374 -6.620 2.811 354 HD21 LEU 43 1HD2 LEU 43 -14.563 -5.113 -0.711 355 HD22 LEU 43 2HD2 LEU 43 -13.624 -5.158 0.782 356 HD23 LEU 43 3HD2 LEU 43 -14.974 -4.032 0.621 357 H ASN 44 H ASN 44 -15.423 -10.978 1.317 358 HA ASN 44 HA ASN 44 -15.210 -12.962 0.237 359 HB2 ASN 44 1HB ASN 44 -17.393 -12.069 -0.901 360 HB3 ASN 44 2HB ASN 44 -16.350 -11.810 -2.288 361 HD21 ASN 44 1HD2 ASN 44 -14.715 -14.129 -1.952 362 HD22 ASN 44 2HD2 ASN 44 -15.697 -15.508 -2.297 363 H ILE 45 H ILE 45 -13.383 -10.558 -0.022 364 HA ILE 45 HA ILE 45 -11.916 -11.235 -2.451 365 HB ILE 45 HB ILE 45 -11.248 -9.167 -0.363 366 HG12 ILE 45 1HG1 ILE 45 -12.593 -8.816 -3.048 367 HG13 ILE 45 2HG1 ILE 45 -13.412 -8.734 -1.492 368 HG21 ILE 45 1HG2 ILE 45 -9.767 -8.241 -2.086 369 HG22 ILE 45 2HG2 ILE 45 -10.198 -9.571 -3.163 370 HG23 ILE 45 3HG2 ILE 45 -9.319 -9.896 -1.668 371 HD11 ILE 45 1HD1 ILE 45 -12.939 -6.526 -2.446 372 HD12 ILE 45 2HD1 ILE 45 -11.213 -6.887 -2.387 373 HD13 ILE 45 3HD1 ILE 45 -12.145 -6.774 -0.892 374 H MET 46 H MET 46 -11.474 -13.380 -1.702 375 HA MET 46 HA MET 46 -9.820 -13.723 0.635 376 HB2 MET 46 1HB MET 46 -10.654 -15.717 -1.473 377 HB3 MET 46 2HB MET 46 -9.890 -16.105 0.061 378 HG2 MET 46 1HG MET 46 -12.447 -14.585 0.067 379 HG3 MET 46 2HG MET 46 -12.478 -16.312 -0.265 380 HE1 MET 46 1HE MET 46 -11.607 -13.501 2.200 381 HE2 MET 46 2HE MET 46 -10.070 -14.346 2.405 382 HE3 MET 46 3HE MET 46 -11.250 -14.332 3.713 383 H ASP 47 H ASP 47 -9.362 -12.915 -2.544 384 HA ASP 47 HA ASP 47 -7.054 -14.121 -3.440 385 HB2 ASP 47 1HB ASP 47 -7.780 -11.204 -3.675 386 HB3 ASP 47 2HB ASP 47 -6.685 -12.072 -4.736 387 HA PRO 48 HA PRO 48 -4.598 -13.080 0.161 388 HB2 PRO 48 1HB PRO 48 -2.448 -14.380 -1.399 389 HB3 PRO 48 2HB PRO 48 -3.047 -14.743 0.219 390 HG2 PRO 48 1HG PRO 48 -3.621 -16.333 -1.834 391 HG3 PRO 48 2HG PRO 48 -4.814 -16.000 -0.566 392 HD2 PRO 48 1HD PRO 48 -4.612 -14.862 -3.322 393 HD3 PRO 48 2HD PRO 48 -6.048 -15.375 -2.415 394 H GLN 49 H GLN 49 -3.005 -12.733 -3.030 395 HA GLN 49 HA GLN 49 -1.207 -10.741 -2.078 396 HB2 GLN 49 1HB GLN 49 -1.982 -11.650 -4.836 397 HB3 GLN 49 2HB GLN 49 -0.890 -10.300 -4.585 398 HG2 GLN 49 1HG GLN 49 0.630 -11.754 -3.352 399 HG3 GLN 49 2HG GLN 49 -0.461 -13.112 -3.608 400 HE21 GLN 49 1HE2 GLN 49 1.835 -10.967 -5.062 401 HE22 GLN 49 2HE2 GLN 49 2.025 -11.837 -6.542 402 H HIS 50 H HIS 50 -4.324 -10.712 -3.647 403 HA HIS 50 HA HIS 50 -4.375 -7.933 -4.229 404 HB2 HIS 50 1HB HIS 50 -6.657 -9.862 -3.827 405 HB3 HIS 50 2HB HIS 50 -6.810 -8.256 -4.514 406 HD1 HIS 50 HD1 HIS 50 -7.828 -9.781 -6.583 407 HD2 HIS 50 HD2 HIS 50 -3.729 -9.950 -5.918 408 HE1 HIS 50 HE1 HIS 50 -6.839 -10.698 -8.692 409 HE2 HIS 50 HE2 HIS 50 -4.352 -10.693 -8.312 410 H ARG 51 H ARG 51 -5.550 -9.904 -1.558 411 HA ARG 51 HA ARG 51 -6.567 -7.952 0.127 412 HB2 ARG 51 1HB ARG 51 -5.077 -10.513 0.645 413 HB3 ARG 51 2HB ARG 51 -5.615 -9.496 1.971 414 HG2 ARG 51 1HG ARG 51 -7.833 -9.940 1.589 415 HG3 ARG 51 2HG ARG 51 -7.567 -10.347 -0.108 416 HD2 ARG 51 1HD ARG 51 -8.100 -12.291 1.375 417 HD3 ARG 51 2HD ARG 51 -6.611 -12.438 0.452 418 HE ARG 51 HE ARG 51 -6.166 -11.374 3.067 419 HH11 ARG 51 1HH1 ARG 51 -6.700 -14.324 1.263 420 HH12 ARG 51 2HH1 ARG 51 -5.871 -15.326 2.408 421 HH21 ARG 51 1HH2 ARG 51 -5.049 -12.683 4.578 422 HH22 ARG 51 2HH2 ARG 51 -4.922 -14.395 4.288 423 H ALA 52 H ALA 52 -3.276 -9.181 -0.121 424 HA ALA 52 HA ALA 52 -2.047 -7.646 1.803 425 HB1 ALA 52 1HB ALA 52 0.018 -8.118 0.587 426 HB2 ALA 52 2HB ALA 52 -0.921 -8.611 -0.817 427 HB3 ALA 52 3HB ALA 52 -1.014 -9.541 0.676 428 H LYS 53 H LYS 53 -2.639 -6.863 -1.605 429 HA LYS 53 HA LYS 53 -1.322 -4.354 -1.540 430 HB2 LYS 53 1HB LYS 53 -3.534 -5.211 -3.407 431 HB3 LYS 53 2HB LYS 53 -2.375 -3.916 -3.674 432 HG2 LYS 53 1HG LYS 53 -0.602 -5.775 -3.430 433 HG3 LYS 53 2HG LYS 53 -1.950 -6.870 -3.738 434 HD2 LYS 53 1HD LYS 53 -1.108 -6.539 -5.862 435 HD3 LYS 53 2HD LYS 53 -2.377 -5.317 -5.787 436 HE2 LYS 53 1HE LYS 53 -0.764 -3.602 -5.269 437 HE3 LYS 53 2HE LYS 53 0.526 -4.804 -5.176 438 HZ1 LYS 53 1HZ LYS 53 0.607 -3.687 -7.283 439 HZ2 LYS 53 2HZ LYS 53 -1.012 -4.047 -7.600 440 HZ3 LYS 53 3HZ LYS 53 0.135 -5.290 -7.542 441 H LEU 54 H LEU 54 -4.778 -5.193 -1.440 442 HA LEU 54 HA LEU 54 -5.809 -2.630 -1.196 443 HB2 LEU 54 1HB LEU 54 -6.823 -5.242 -0.091 444 HB3 LEU 54 2HB LEU 54 -7.758 -3.763 -0.099 445 HG LEU 54 HG LEU 54 -6.684 -5.055 -2.602 446 HD11 LEU 54 1HD1 LEU 54 -9.403 -5.303 -1.327 447 HD12 LEU 54 2HD1 LEU 54 -8.222 -6.594 -1.566 448 HD13 LEU 54 3HD1 LEU 54 -8.994 -5.837 -2.959 449 HD21 LEU 54 1HD2 LEU 54 -7.155 -2.687 -2.812 450 HD22 LEU 54 2HD2 LEU 54 -8.764 -2.927 -2.132 451 HD23 LEU 54 3HD2 LEU 54 -8.354 -3.632 -3.695 452 H LEU 55 H LEU 55 -4.723 -4.856 1.318 453 HA LEU 55 HA LEU 55 -5.460 -3.289 3.539 454 HB2 LEU 55 1HB LEU 55 -3.465 -5.477 3.098 455 HB3 LEU 55 2HB LEU 55 -3.499 -4.621 4.622 456 HG LEU 55 HG LEU 55 -5.367 -5.680 5.335 457 HD11 LEU 55 1HD1 LEU 55 -6.869 -4.658 3.743 458 HD12 LEU 55 2HD1 LEU 55 -7.233 -6.376 3.905 459 HD13 LEU 55 3HD1 LEU 55 -6.353 -5.790 2.493 460 HD21 LEU 55 1HD2 LEU 55 -4.396 -7.478 3.129 461 HD22 LEU 55 2HD2 LEU 55 -5.579 -7.969 4.339 462 HD23 LEU 55 3HD2 LEU 55 -3.948 -7.515 4.836 463 H THR 56 H THR 56 -2.404 -3.552 1.764 464 HA THR 56 HA THR 56 -0.917 -1.762 3.334 465 HB THR 56 HB THR 56 -0.604 -2.341 0.388 466 HG1 THR 56 HG1 THR 56 -0.426 -4.273 1.391 467 HG21 THR 56 1HG2 THR 56 1.402 -1.389 2.427 468 HG22 THR 56 2HG2 THR 56 0.677 -0.389 1.168 469 HG23 THR 56 3HG2 THR 56 1.729 -1.739 0.730 470 H ALA 57 H ALA 57 -2.903 -1.277 0.455 471 HA ALA 57 HA ALA 57 -2.403 1.434 0.069 472 HB1 ALA 57 1HB ALA 57 -3.553 0.164 -1.604 473 HB2 ALA 57 2HB ALA 57 -4.615 1.465 -1.065 474 HB3 ALA 57 3HB ALA 57 -4.878 -0.184 -0.495 475 H ALA 58 H ALA 58 -4.906 -0.189 1.985 476 HA ALA 58 HA ALA 58 -6.107 2.134 3.009 477 HB1 ALA 58 1HB ALA 58 -7.143 -0.082 3.065 478 HB2 ALA 58 2HB ALA 58 -7.117 0.676 4.658 479 HB3 ALA 58 3HB ALA 58 -5.958 -0.598 4.267 480 H GLU 59 H GLU 59 -3.464 0.126 4.224 481 HA GLU 59 HA GLU 59 -3.043 1.319 6.701 482 HB2 GLU 59 1HB GLU 59 -1.053 0.150 4.750 483 HB3 GLU 59 2HB GLU 59 -0.654 0.594 6.399 484 HG2 GLU 59 1HG GLU 59 -2.675 -1.473 5.583 485 HG3 GLU 59 2HG GLU 59 -1.042 -1.797 6.156 486 H LEU 60 H LEU 60 -1.479 2.075 3.599 487 HA LEU 60 HA LEU 60 -0.075 4.305 4.598 488 HB2 LEU 60 1HB LEU 60 -0.589 3.141 1.935 489 HB3 LEU 60 2HB LEU 60 -0.167 4.842 1.966 490 HG LEU 60 HG LEU 60 1.915 4.318 3.141 491 HD11 LEU 60 1HD1 LEU 60 1.227 2.355 4.369 492 HD12 LEU 60 2HD1 LEU 60 2.637 1.986 3.371 493 HD13 LEU 60 3HD1 LEU 60 1.033 1.453 2.863 494 HD21 LEU 60 1HD2 LEU 60 2.057 4.450 0.788 495 HD22 LEU 60 2HD2 LEU 60 1.368 2.840 0.591 496 HD23 LEU 60 3HD2 LEU 60 2.984 3.027 1.275 497 H LEU 61 H LEU 61 -3.149 4.069 2.806 498 HA LEU 61 HA LEU 61 -3.523 6.817 2.424 499 HB2 LEU 61 1HB LEU 61 -5.493 4.563 2.677 500 HB3 LEU 61 2HB LEU 61 -5.978 6.204 2.299 501 HG LEU 61 HG LEU 61 -4.080 4.559 0.634 502 HD11 LEU 61 1HD1 LEU 61 -5.964 4.403 -0.933 503 HD12 LEU 61 2HD1 LEU 61 -7.008 5.156 0.273 504 HD13 LEU 61 3HD1 LEU 61 -6.275 3.583 0.593 505 HD21 LEU 61 1HD2 LEU 61 -4.453 6.301 -1.045 506 HD22 LEU 61 2HD2 LEU 61 -3.716 6.954 0.418 507 HD23 LEU 61 3HD2 LEU 61 -5.437 7.199 0.112 508 H LEU 62 H LEU 62 -3.841 4.949 5.293 509 HA LEU 62 HA LEU 62 -5.627 6.723 6.641 510 HB2 LEU 62 1HB LEU 62 -5.317 4.320 7.203 511 HB3 LEU 62 2HB LEU 62 -3.718 4.704 7.805 512 HG LEU 62 HG LEU 62 -4.694 6.114 9.552 513 HD11 LEU 62 1HD1 LEU 62 -7.328 5.251 8.363 514 HD12 LEU 62 2HD1 LEU 62 -6.680 6.891 8.425 515 HD13 LEU 62 3HD1 LEU 62 -7.138 6.068 9.915 516 HD21 LEU 62 1HD2 LEU 62 -5.963 3.382 9.443 517 HD22 LEU 62 2HD2 LEU 62 -5.660 4.344 10.890 518 HD23 LEU 62 3HD2 LEU 62 -4.308 3.716 9.949 519 H ASP 63 H ASP 63 -2.199 6.569 6.144 520 HA ASP 63 HA ASP 63 -1.815 8.803 8.025 521 HB2 ASP 63 1HB ASP 63 0.087 6.717 6.984 522 HB3 ASP 63 2HB ASP 63 0.658 8.194 7.752 523 H TYR 64 H TYR 64 -1.417 7.773 4.744 524 HA TYR 64 HA TYR 64 -0.007 10.244 4.034 525 HB2 TYR 64 1HB TYR 64 -0.245 7.596 2.602 526 HB3 TYR 64 2HB TYR 64 0.591 9.001 1.953 527 HD1 TYR 64 HD1 TYR 64 2.702 9.748 2.943 528 HD2 TYR 64 HD2 TYR 64 0.736 6.243 4.319 529 HE1 TYR 64 HE1 TYR 64 4.765 9.047 4.069 530 HE2 TYR 64 HE2 TYR 64 2.791 5.523 5.447 531 HH TYR 64 HH TYR 64 5.416 7.571 5.973 532 H ASP 65 H ASP 65 -2.755 10.458 4.461 533 HA ASP 65 HA ASP 65 -4.150 10.172 1.954 534 HB2 ASP 65 1HB ASP 65 -6.063 11.102 3.147 535 HB3 ASP 65 2HB ASP 65 -5.301 9.831 4.098 536 H THR 66 H THR 66 -1.916 11.777 1.667 537 HA THR 66 HA THR 66 -1.102 13.789 1.026 538 HB THR 66 HB THR 66 -2.701 15.105 -0.497 539 HG1 THR 66 HG1 THR 66 -4.488 13.566 0.582 540 HG21 THR 66 1HG2 THR 66 -0.966 13.612 -1.326 541 HG22 THR 66 2HG2 THR 66 -2.426 13.471 -2.306 542 HG23 THR 66 3HG2 THR 66 -2.040 12.230 -1.116 543 H GLY 67 H GLY 67 -2.136 13.848 3.666 544 HA2 GLY 67 1HA GLY 67 -3.475 16.439 3.893 545 HA3 GLY 67 2HA GLY 67 -3.199 15.293 5.198 546 H CYS 68 H CYS 68 -0.719 16.235 2.975 547 HA CYS 68 HA CYS 68 1.254 17.320 3.171 548 HB2 CYS 68 1HB CYS 68 -0.093 18.781 5.445 549 HB3 CYS 68 2HB CYS 68 1.405 19.259 4.660 550 H GLU 69 H GLU 69 3.200 17.457 4.473 551 HA GLU 69 HA GLU 69 3.248 15.369 6.506 552 HB2 GLU 69 1HB GLU 69 5.774 15.657 6.264 553 HB3 GLU 69 2HB GLU 69 4.914 14.981 4.891 554 HG2 GLU 69 1HG GLU 69 5.042 17.044 3.703 555 HG3 GLU 69 2HG GLU 69 5.669 17.883 5.120 556 H1 GLY 1 1H GLY 1 2.772 7.754 12.912 557 H2 GLY 1 2H GLY 1 1.339 8.460 12.367 558 H3 GLY 1 3H GLY 1 2.796 9.306 12.245 559 HA2 GLY 1 2HA GLY 1 2.125 6.809 10.800 560 HA3 GLY 1 1HA GLY 1 2.122 8.420 10.099 561 HA PRO 2 HA PRO 2 6.401 6.318 9.999 562 HB2 PRO 2 1HB PRO 2 5.994 5.793 7.165 563 HB3 PRO 2 2HB PRO 2 6.444 4.674 8.452 564 HG2 PRO 2 1HG PRO 2 4.032 4.594 7.233 565 HG3 PRO 2 2HG PRO 2 4.268 4.135 8.929 566 HD2 PRO 2 1HD PRO 2 3.206 6.694 7.789 567 HD3 PRO 2 2HD PRO 2 2.635 5.760 9.190 568 H LYS 3 H LYS 3 7.841 7.883 9.893 569 HA LYS 3 HA LYS 3 7.662 9.874 7.757 570 HB2 LYS 3 1HB LYS 3 9.410 9.844 10.219 571 HB3 LYS 3 2HB LYS 3 9.243 11.173 9.085 572 HG2 LYS 3 1HG LYS 3 7.015 10.069 10.780 573 HG3 LYS 3 2HG LYS 3 7.968 11.500 11.170 574 HD2 LYS 3 1HD LYS 3 6.326 11.178 8.660 575 HD3 LYS 3 2HD LYS 3 5.765 11.997 10.115 576 HE2 LYS 3 1HE LYS 3 8.184 12.778 8.495 577 HE3 LYS 3 2HE LYS 3 6.612 13.567 8.418 578 HZ1 LYS 3 1HZ LYS 3 8.339 13.405 10.829 579 HZ2 LYS 3 2HZ LYS 3 6.838 14.177 10.737 580 HZ3 LYS 3 3HZ LYS 3 8.147 14.768 9.846 581 H THR 4 H THR 4 9.280 7.054 8.616 582 HA THR 4 HA THR 4 11.339 7.588 6.612 583 HB THR 4 HB THR 4 12.903 6.166 8.006 584 HG1 THR 4 HG1 THR 4 12.395 6.056 10.237 585 HG21 THR 4 1HG2 THR 4 12.000 8.813 9.138 586 HG22 THR 4 2HG2 THR 4 13.178 8.577 7.844 587 HG23 THR 4 3HG2 THR 4 13.543 8.028 9.480 588 H LEU 5 H LEU 5 12.509 5.403 6.118 589 HA LEU 5 HA LEU 5 10.586 3.875 4.758 590 HB2 LEU 5 1HB LEU 5 12.999 4.311 4.132 591 HB3 LEU 5 2HB LEU 5 13.446 3.099 5.311 592 HG LEU 5 HG LEU 5 13.291 2.469 2.802 593 HD11 LEU 5 1HD1 LEU 5 12.559 0.190 3.386 594 HD12 LEU 5 2HD1 LEU 5 12.052 0.788 4.967 595 HD13 LEU 5 3HD1 LEU 5 13.753 0.846 4.505 596 HD21 LEU 5 1HD2 LEU 5 11.109 1.670 2.105 597 HD22 LEU 5 2HD2 LEU 5 11.063 3.400 2.449 598 HD23 LEU 5 3HD2 LEU 5 10.399 2.251 3.611 599 H HIS 6 H HIS 6 12.657 3.054 7.520 600 HA HIS 6 HA HIS 6 11.836 0.453 7.960 601 HB2 HIS 6 1HB HIS 6 13.710 1.423 9.141 602 HB3 HIS 6 2HB HIS 6 12.656 2.572 9.946 603 HD1 HIS 6 HD1 HIS 6 11.702 1.889 12.155 604 HD2 HIS 6 HD2 HIS 6 13.294 -1.331 10.053 605 HE1 HIS 6 HE1 HIS 6 11.673 -0.053 13.748 606 HE2 HIS 6 HE2 HIS 6 12.479 -2.019 12.402 607 H GLU 7 H GLU 7 10.347 3.444 9.053 608 HA GLU 7 HA GLU 7 8.485 2.207 10.799 609 HB2 GLU 7 1HB GLU 7 8.292 4.908 9.473 610 HB3 GLU 7 2HB GLU 7 7.433 4.384 10.915 611 HG2 GLU 7 1HG GLU 7 10.390 4.831 10.623 612 HG3 GLU 7 2HG GLU 7 9.249 5.805 11.541 613 H LEU 8 H LEU 8 8.486 3.096 7.428 614 HA LEU 8 HA LEU 8 5.714 2.721 6.955 615 HB2 LEU 8 1HB LEU 8 7.385 4.002 5.551 616 HB3 LEU 8 2HB LEU 8 7.967 2.458 4.971 617 HG LEU 8 HG LEU 8 6.347 3.744 3.490 618 HD11 LEU 8 1HD1 LEU 8 5.163 1.703 2.785 619 HD12 LEU 8 2HD1 LEU 8 5.743 0.900 4.244 620 HD13 LEU 8 3HD1 LEU 8 6.892 1.453 3.026 621 HD21 LEU 8 1HD2 LEU 8 3.992 3.518 3.952 622 HD22 LEU 8 2HD2 LEU 8 4.786 4.371 5.274 623 HD23 LEU 8 3HD2 LEU 8 4.342 2.675 5.459 624 H LEU 9 H LEU 9 8.566 0.673 6.670 625 HA LEU 9 HA LEU 9 7.291 -1.586 5.603 626 HB2 LEU 9 1HB LEU 9 9.821 -1.129 7.113 627 HB3 LEU 9 2HB LEU 9 9.259 -2.770 6.885 628 HG LEU 9 HG LEU 9 10.945 -1.971 5.204 629 HD11 LEU 9 1HD1 LEU 9 9.530 -3.879 4.752 630 HD12 LEU 9 2HD1 LEU 9 9.765 -2.928 3.284 631 HD13 LEU 9 3HD1 LEU 9 8.246 -2.814 4.176 632 HD21 LEU 9 1HD2 LEU 9 8.640 -0.343 4.163 633 HD22 LEU 9 2HD2 LEU 9 10.233 -0.518 3.426 634 HD23 LEU 9 3HD2 LEU 9 10.061 0.316 4.970 635 H GLU 10 H GLU 10 7.826 -0.588 8.967 636 HA GLU 10 HA GLU 10 6.618 -2.882 10.113 637 HB2 GLU 10 1HB GLU 10 6.916 -0.081 11.201 638 HB3 GLU 10 2HB GLU 10 6.336 -1.450 12.140 639 HG2 GLU 10 1HG GLU 10 8.504 -2.587 11.654 640 HG3 GLU 10 2HG GLU 10 9.065 -1.073 10.942 641 H ARG 11 H ARG 11 5.387 0.123 8.859 642 HA ARG 11 HA ARG 11 2.804 0.082 9.945 643 HB2 ARG 11 1HB ARG 11 4.250 1.774 8.348 644 HB3 ARG 11 2HB ARG 11 3.059 1.150 7.218 645 HG2 ARG 11 1HG ARG 11 2.366 2.389 9.865 646 HG3 ARG 11 2HG ARG 11 2.446 3.277 8.346 647 HD2 ARG 11 1HD ARG 11 0.714 1.846 7.410 648 HD3 ARG 11 2HD ARG 11 0.630 0.945 8.924 649 HE ARG 11 HE ARG 11 0.104 3.843 8.887 650 HH11 ARG 11 1HH1 ARG 11 -1.102 0.575 9.373 651 HH12 ARG 11 2HH1 ARG 11 -2.476 1.109 10.285 652 HH21 ARG 11 1HH2 ARG 11 -1.669 4.522 10.063 653 HH22 ARG 11 2HH2 ARG 11 -2.793 3.358 10.704 654 H ILE 12 H ILE 12 4.132 -1.244 6.952 655 HA ILE 12 HA ILE 12 1.529 -2.333 6.245 656 HB ILE 12 HB ILE 12 2.546 -2.958 4.124 657 HG12 ILE 12 1HG1 ILE 12 5.086 -1.732 5.232 658 HG13 ILE 12 2HG1 ILE 12 4.826 -3.454 4.972 659 HG21 ILE 12 1HG2 ILE 12 1.600 -0.750 4.375 660 HG22 ILE 12 2HG2 ILE 12 3.031 -0.670 3.341 661 HG23 ILE 12 3HG2 ILE 12 3.126 -0.142 5.022 662 HD11 ILE 12 1HD1 ILE 12 4.834 -1.334 2.840 663 HD12 ILE 12 2HD1 ILE 12 4.581 -3.061 2.579 664 HD13 ILE 12 3HD1 ILE 12 6.135 -2.476 3.180 665 H GLY 13 H GLY 13 4.330 -3.339 7.861 666 HA2 GLY 13 1HA GLY 13 4.408 -5.319 9.113 667 HA3 GLY 13 2HA GLY 13 3.156 -5.994 8.085 668 H LEU 14 H LEU 14 6.067 -4.483 6.873 669 HA LEU 14 HA LEU 14 7.111 -7.140 6.171 670 HB2 LEU 14 1HB LEU 14 6.909 -4.687 4.465 671 HB3 LEU 14 2HB LEU 14 8.150 -5.886 4.163 672 HG LEU 14 HG LEU 14 6.463 -6.472 2.687 673 HD11 LEU 14 1HD1 LEU 14 7.241 -8.366 4.037 674 HD12 LEU 14 2HD1 LEU 14 5.592 -8.577 3.446 675 HD13 LEU 14 3HD1 LEU 14 5.872 -8.125 5.125 676 HD21 LEU 14 1HD2 LEU 14 4.466 -6.021 4.888 677 HD22 LEU 14 2HD2 LEU 14 4.099 -6.642 3.278 678 HD23 LEU 14 3HD2 LEU 14 4.722 -5.004 3.467 679 H GLU 15 H GLU 15 7.680 -5.426 8.440 680 HA GLU 15 HA GLU 15 10.095 -4.049 8.170 681 HB2 GLU 15 1HB GLU 15 10.348 -4.377 10.596 682 HB3 GLU 15 2HB GLU 15 8.732 -3.841 10.155 683 HG2 GLU 15 1HG GLU 15 7.858 -6.052 10.441 684 HG3 GLU 15 2HG GLU 15 9.475 -6.702 10.703 685 H GLU 16 H GLU 16 9.407 -7.396 8.151 686 HA GLU 16 HA GLU 16 11.853 -8.536 8.852 687 HB2 GLU 16 1HB GLU 16 11.126 -10.445 7.477 688 HB3 GLU 16 2HB GLU 16 9.825 -9.849 8.502 689 HG2 GLU 16 1HG GLU 16 8.866 -8.653 6.614 690 HG3 GLU 16 2HG GLU 16 10.185 -9.201 5.584 691 H HIS 17 H HIS 17 10.984 -6.648 6.119 692 HA HIS 17 HA HIS 17 13.391 -7.547 4.680 693 HB2 HIS 17 1HB HIS 17 10.713 -6.657 3.651 694 HB3 HIS 17 2HB HIS 17 12.143 -6.594 2.636 695 HD1 HIS 17 HD1 HIS 17 13.490 -9.190 2.954 696 HD2 HIS 17 HD2 HIS 17 9.337 -8.879 3.026 697 HE1 HIS 17 HE1 HIS 17 12.625 -11.472 2.345 698 HE2 HIS 17 HE2 HIS 17 10.116 -11.270 2.354 699 H THR 18 H THR 18 12.583 -5.155 6.626 700 HA THR 18 HA THR 18 12.884 -2.780 5.198 701 HB THR 18 HB THR 18 14.022 -3.198 7.948 702 HG1 THR 18 HG1 THR 18 12.027 -3.798 8.399 703 HG21 THR 18 1HG2 THR 18 12.814 -0.821 6.546 704 HG22 THR 18 2HG2 THR 18 14.524 -1.069 6.902 705 HG23 THR 18 3HG2 THR 18 13.373 -0.838 8.216 706 H SER 19 H SER 19 15.355 -4.771 6.787 707 HA SER 19 HA SER 19 17.580 -3.265 6.021 708 HB2 SER 19 1HB SER 19 17.456 -6.257 6.423 709 HB3 SER 19 2HB SER 19 18.883 -5.232 6.552 710 HG SER 19 HG SER 19 17.975 -4.239 8.356 711 H THR 20 H THR 20 15.761 -5.767 4.347 712 HA THR 20 HA THR 20 17.474 -6.224 2.187 713 HB THR 20 HB THR 20 14.462 -6.151 2.008 714 HG1 THR 20 HG1 THR 20 16.192 -8.034 3.229 715 HG21 THR 20 1HG2 THR 20 15.682 -6.468 -0.096 716 HG22 THR 20 2HG2 THR 20 14.787 -7.919 0.357 717 HG23 THR 20 3HG2 THR 20 16.530 -7.843 0.608 718 H LEU 21 H LEU 21 14.796 -3.916 2.549 719 HA LEU 21 HA LEU 21 15.126 -2.605 0.097 720 HB2 LEU 21 1HB LEU 21 13.923 -1.835 2.726 721 HB3 LEU 21 2HB LEU 21 14.117 -0.617 1.490 722 HG LEU 21 HG LEU 21 11.921 -1.321 1.223 723 HD11 LEU 21 1HD1 LEU 21 13.198 -1.360 -0.889 724 HD12 LEU 21 2HD1 LEU 21 11.796 -2.428 -0.892 725 HD13 LEU 21 3HD1 LEU 21 13.412 -3.100 -0.687 726 HD21 LEU 21 1HD2 LEU 21 12.009 -3.236 2.728 727 HD22 LEU 21 2HD2 LEU 21 12.823 -4.180 1.481 728 HD23 LEU 21 3HD2 LEU 21 11.169 -3.626 1.227 729 H LEU 22 H LEU 22 16.362 -1.773 3.321 730 HA LEU 22 HA LEU 22 17.792 0.504 2.663 731 HB2 LEU 22 1HB LEU 22 17.880 -1.491 4.827 732 HB3 LEU 22 2HB LEU 22 19.338 -0.546 4.620 733 HG LEU 22 HG LEU 22 18.104 1.516 4.972 734 HD11 LEU 22 1HD1 LEU 22 15.747 1.505 5.578 735 HD12 LEU 22 2HD1 LEU 22 15.676 -0.236 5.298 736 HD13 LEU 22 3HD1 LEU 22 15.987 0.863 3.954 737 HD21 LEU 22 1HD2 LEU 22 18.979 0.353 6.918 738 HD22 LEU 22 2HD2 LEU 22 17.478 -0.563 7.058 739 HD23 LEU 22 3HD2 LEU 22 17.473 1.184 7.306 740 H LEU 23 H LEU 23 18.859 -2.870 2.526 741 HA LEU 23 HA LEU 23 21.550 -2.299 1.849 742 HB2 LEU 23 1HB LEU 23 19.875 -4.766 1.441 743 HB3 LEU 23 2HB LEU 23 21.596 -4.693 1.125 744 HG LEU 23 HG LEU 23 20.282 -4.285 3.811 745 HD11 LEU 23 1HD1 LEU 23 21.909 -6.585 2.742 746 HD12 LEU 23 2HD1 LEU 23 20.175 -6.596 3.058 747 HD13 LEU 23 3HD1 LEU 23 21.313 -6.419 4.393 748 HD21 LEU 23 1HD2 LEU 23 22.594 -4.357 4.671 749 HD22 LEU 23 2HD2 LEU 23 22.293 -2.963 3.634 750 HD23 LEU 23 3HD2 LEU 23 23.188 -4.349 3.011 751 H ASN 24 H ASN 24 18.631 -2.468 0.017 752 HA ASN 24 HA ASN 24 20.136 -2.569 -2.486 753 HB2 ASN 24 1HB ASN 24 17.268 -3.078 -1.783 754 HB3 ASN 24 2HB ASN 24 17.738 -2.759 -3.451 755 HD21 ASN 24 1HD2 ASN 24 17.994 -4.951 -0.765 756 HD22 ASN 24 2HD2 ASN 24 18.634 -6.291 -1.661 757 H GLY 25 H GLY 25 19.448 -0.263 -0.463 758 HA2 GLY 25 1HA GLY 25 20.082 1.950 -1.077 759 HA3 GLY 25 2HA GLY 25 19.379 1.680 -2.664 760 H TYR 26 H TYR 26 17.139 0.389 -0.831 761 HA TYR 26 HA TYR 26 15.490 2.762 -0.947 762 HB2 TYR 26 1HB TYR 26 14.864 -0.079 -0.149 763 HB3 TYR 26 2HB TYR 26 13.671 1.204 -0.314 764 HD1 TYR 26 HD1 TYR 26 13.403 2.277 -2.594 765 HD2 TYR 26 HD2 TYR 26 15.517 -1.356 -1.987 766 HE1 TYR 26 HE1 TYR 26 13.151 1.745 -4.975 767 HE2 TYR 26 HE2 TYR 26 15.279 -1.900 -4.372 768 HH TYR 26 HH TYR 26 14.409 0.327 -6.675 769 H GLN 27 H GLN 27 16.815 3.821 0.704 770 HA GLN 27 HA GLN 27 16.338 2.853 3.430 771 HB2 GLN 27 1HB GLN 27 18.192 5.043 2.502 772 HB3 GLN 27 2HB GLN 27 18.142 4.307 4.097 773 HG2 GLN 27 1HG GLN 27 18.839 2.179 3.133 774 HG3 GLN 27 2HG GLN 27 18.889 2.921 1.539 775 HE21 GLN 27 1HE2 GLN 27 21.001 1.627 3.067 776 HE22 GLN 27 2HE2 GLN 27 22.258 2.798 3.232 777 H THR 28 H THR 28 15.073 4.896 1.201 778 HA THR 28 HA THR 28 13.863 6.595 3.264 779 HB THR 28 HB THR 28 13.897 8.485 1.677 780 HG1 THR 28 HG1 THR 28 15.629 8.008 -0.088 781 HG21 THR 28 1HG2 THR 28 16.314 8.976 1.798 782 HG22 THR 28 2HG2 THR 28 16.615 7.296 2.247 783 HG23 THR 28 3HG2 THR 28 15.683 8.344 3.319 784 H LEU 29 H LEU 29 11.777 7.458 2.642 785 HA LEU 29 HA LEU 29 10.139 5.622 1.219 786 HB2 LEU 29 1HB LEU 29 9.580 8.465 2.081 787 HB3 LEU 29 2HB LEU 29 8.374 7.311 1.544 788 HG LEU 29 HG LEU 29 10.084 7.021 4.015 789 HD11 LEU 29 1HD1 LEU 29 8.018 7.429 5.246 790 HD12 LEU 29 2HD1 LEU 29 7.163 7.705 3.728 791 HD13 LEU 29 3HD1 LEU 29 8.440 8.811 4.234 792 HD21 LEU 29 1HD2 LEU 29 8.646 5.134 4.533 793 HD22 LEU 29 2HD2 LEU 29 9.482 4.881 3.002 794 HD23 LEU 29 3HD2 LEU 29 7.783 5.355 3.011 795 H GLU 30 H GLU 30 11.909 8.467 0.438 796 HA GLU 30 HA GLU 30 10.727 9.110 -2.040 797 HB2 GLU 30 1HB GLU 30 12.219 10.591 -0.682 798 HB3 GLU 30 2HB GLU 30 13.575 9.578 -1.155 799 HG2 GLU 30 1HG GLU 30 13.424 11.623 -2.484 800 HG3 GLU 30 2HG GLU 30 13.259 10.173 -3.471 801 H ASP 31 H ASP 31 13.191 6.809 -1.070 802 HA ASP 31 HA ASP 31 13.810 6.146 -3.827 803 HB2 ASP 31 1HB ASP 31 15.386 6.063 -1.704 804 HB3 ASP 31 2HB ASP 31 14.686 4.461 -1.515 805 H PHE 32 H PHE 32 12.077 4.807 -1.082 806 HA PHE 32 HA PHE 32 11.528 2.267 -2.144 807 HB2 PHE 32 1HB PHE 32 11.318 2.870 0.246 808 HB3 PHE 32 2HB PHE 32 9.893 3.826 -0.142 809 HD1 PHE 32 HD1 PHE 32 11.233 0.454 0.279 810 HD2 PHE 32 HD2 PHE 32 7.811 2.753 -0.749 811 HE1 PHE 32 HE1 PHE 32 9.815 -1.538 0.559 812 HE2 PHE 32 HE2 PHE 32 6.388 0.772 -0.468 813 HZ PHE 32 HZ PHE 32 7.388 -1.377 0.188 814 H LYS 33 H LYS 33 9.944 5.343 -2.662 815 HA LYS 33 HA LYS 33 7.510 4.309 -3.650 816 HB2 LYS 33 1HB LYS 33 7.205 6.549 -4.662 817 HB3 LYS 33 2HB LYS 33 7.640 6.604 -2.960 818 HG2 LYS 33 1HG LYS 33 9.958 7.079 -3.576 819 HG3 LYS 33 2HG LYS 33 9.496 7.068 -5.277 820 HD2 LYS 33 1HD LYS 33 9.656 9.345 -4.372 821 HD3 LYS 33 2HD LYS 33 8.024 8.960 -4.920 822 HE2 LYS 33 1HE LYS 33 7.247 8.686 -2.700 823 HE3 LYS 33 2HE LYS 33 8.883 8.688 -2.049 824 HZ1 LYS 33 1HZ LYS 33 7.745 10.797 -1.680 825 HZ2 LYS 33 2HZ LYS 33 7.552 11.005 -3.349 826 HZ3 LYS 33 3HZ LYS 33 9.106 11.006 -2.668 827 H GLU 34 H GLU 34 10.562 4.005 -4.900 828 HA GLU 34 HA GLU 34 9.598 3.757 -7.666 829 HB2 GLU 34 1HB GLU 34 12.442 3.647 -6.662 830 HB3 GLU 34 2HB GLU 34 11.918 3.745 -8.335 831 HG2 GLU 34 1HG GLU 34 10.920 5.975 -7.791 832 HG3 GLU 34 2HG GLU 34 11.711 5.863 -6.219 833 H LEU 35 H LEU 35 9.667 1.949 -5.046 834 HA LEU 35 HA LEU 35 11.084 -0.385 -5.853 835 HB2 LEU 35 1HB LEU 35 10.601 0.317 -3.504 836 HB3 LEU 35 2HB LEU 35 8.917 -0.062 -3.777 837 HG LEU 35 HG LEU 35 10.302 -1.748 -2.491 838 HD11 LEU 35 1HD1 LEU 35 8.084 -2.202 -3.461 839 HD12 LEU 35 2HD1 LEU 35 9.128 -3.621 -3.439 840 HD13 LEU 35 3HD1 LEU 35 8.872 -2.740 -4.945 841 HD21 LEU 35 1HD2 LEU 35 11.638 -3.301 -3.790 842 HD22 LEU 35 2HD2 LEU 35 12.276 -1.663 -3.936 843 HD23 LEU 35 3HD2 LEU 35 11.333 -2.365 -5.252 844 H ARG 36 H ARG 36 10.448 -1.962 -7.169 845 HA ARG 36 HA ARG 36 7.586 -2.229 -7.785 846 HB2 ARG 36 1HB ARG 36 9.809 -2.552 -9.802 847 HB3 ARG 36 2HB ARG 36 8.084 -2.601 -10.116 848 HG2 ARG 36 1HG ARG 36 9.692 -0.199 -9.281 849 HG3 ARG 36 2HG ARG 36 8.996 -0.509 -10.873 850 HD2 ARG 36 1HD ARG 36 6.758 -0.371 -9.951 851 HD3 ARG 36 2HD ARG 36 7.416 -0.176 -8.327 852 HE ARG 36 HE ARG 36 8.093 1.798 -10.385 853 HH11 ARG 36 1HH1 ARG 36 6.398 1.004 -7.420 854 HH12 ARG 36 2HH1 ARG 36 6.161 2.659 -6.969 855 HH21 ARG 36 1HH2 ARG 36 7.794 3.971 -9.780 856 HH22 ARG 36 2HH2 ARG 36 6.987 4.344 -8.290 857 H GLU 37 H GLU 37 7.172 -4.407 -8.948 858 HA GLU 37 HA GLU 37 7.931 -6.460 -7.191 859 HB2 GLU 37 1HB GLU 37 5.873 -6.506 -8.575 860 HB3 GLU 37 2HB GLU 37 6.870 -6.767 -10.000 861 HG2 GLU 37 1HG GLU 37 7.695 -8.855 -9.042 862 HG3 GLU 37 2HG GLU 37 6.680 -8.599 -7.624 863 H THR 38 H THR 38 9.019 -5.696 -10.464 864 HA THR 38 HA THR 38 10.749 -7.836 -10.859 865 HB THR 38 HB THR 38 11.191 -5.024 -11.865 866 HG1 THR 38 HG1 THR 38 9.516 -7.072 -12.949 867 HG21 THR 38 1HG2 THR 38 11.862 -7.726 -13.028 868 HG22 THR 38 2HG2 THR 38 13.006 -6.559 -12.364 869 HG23 THR 38 3HG2 THR 38 12.112 -6.180 -13.837 870 H HIS 39 H HIS 39 11.074 -5.010 -8.905 871 HA HIS 39 HA HIS 39 13.928 -5.168 -8.616 872 HB2 HIS 39 1HB HIS 39 11.850 -3.684 -6.992 873 HB3 HIS 39 2HB HIS 39 13.592 -3.522 -6.779 874 HD1 HIS 39 HD1 HIS 39 12.709 -0.925 -7.329 875 HD2 HIS 39 HD2 HIS 39 13.010 -3.624 -10.471 876 HE1 HIS 39 HE1 HIS 39 12.628 0.462 -9.417 877 HE2 HIS 39 HE2 HIS 39 12.712 -1.193 -11.312 878 H LEU 40 H LEU 40 11.092 -6.132 -6.744 879 HA LEU 40 HA LEU 40 12.442 -7.201 -4.531 880 HB2 LEU 40 1HB LEU 40 9.747 -7.401 -5.689 881 HB3 LEU 40 2HB LEU 40 10.227 -8.745 -4.672 882 HG LEU 40 HG LEU 40 10.389 -7.402 -2.764 883 HD11 LEU 40 1HD1 LEU 40 11.748 -5.630 -3.712 884 HD12 LEU 40 2HD1 LEU 40 10.402 -4.980 -2.782 885 HD13 LEU 40 3HD1 LEU 40 10.335 -4.988 -4.545 886 HD21 LEU 40 1HD2 LEU 40 8.142 -6.286 -4.417 887 HD22 LEU 40 2HD2 LEU 40 8.284 -6.165 -2.665 888 HD23 LEU 40 3HD2 LEU 40 8.096 -7.742 -3.427 889 H ASN 41 H ASN 41 11.697 -8.535 -7.670 890 HA ASN 41 HA ASN 41 12.486 -11.172 -7.326 891 HB2 ASN 41 1HB ASN 41 12.831 -9.274 -9.642 892 HB3 ASN 41 2HB ASN 41 13.339 -10.953 -9.736 893 HD21 ASN 41 1HD2 ASN 41 11.876 -11.307 -11.409 894 HD22 ASN 41 2HD2 ASN 41 10.180 -11.464 -11.117 895 H GLU 42 H GLU 42 14.393 -8.260 -7.691 896 HA GLU 42 HA GLU 42 16.922 -9.622 -7.767 897 HB2 GLU 42 1HB GLU 42 16.262 -6.704 -7.376 898 HB3 GLU 42 2HB GLU 42 17.856 -7.356 -7.724 899 HG2 GLU 42 1HG GLU 42 15.456 -7.485 -9.529 900 HG3 GLU 42 2HG GLU 42 16.842 -6.413 -9.712 901 H LEU 43 H LEU 43 14.946 -7.966 -5.402 902 HA LEU 43 HA LEU 43 16.921 -7.974 -3.329 903 HB2 LEU 43 1HB LEU 43 14.013 -7.313 -3.478 904 HB3 LEU 43 2HB LEU 43 14.769 -7.508 -1.916 905 HG LEU 43 HG LEU 43 16.394 -5.717 -2.558 906 HD11 LEU 43 1HD1 LEU 43 15.778 -4.215 -4.387 907 HD12 LEU 43 2HD1 LEU 43 14.519 -5.353 -4.877 908 HD13 LEU 43 3HD1 LEU 43 16.217 -5.824 -4.959 909 HD21 LEU 43 1HD2 LEU 43 14.439 -5.290 -1.152 910 HD22 LEU 43 2HD2 LEU 43 13.496 -4.924 -2.596 911 HD23 LEU 43 3HD2 LEU 43 14.862 -3.899 -2.150 912 H ASN 44 H ASN 44 15.205 -10.410 -4.681 913 HA ASN 44 HA ASN 44 14.960 -12.608 -4.173 914 HB2 ASN 44 1HB ASN 44 17.157 -12.083 -2.849 915 HB3 ASN 44 2HB ASN 44 16.121 -12.196 -1.437 916 HD21 ASN 44 1HD2 ASN 44 14.447 -14.313 -2.362 917 HD22 ASN 44 2HD2 ASN 44 15.412 -15.750 -2.416 918 H ILE 45 H ILE 45 13.173 -10.335 -3.264 919 HA ILE 45 HA ILE 45 11.700 -11.619 -1.099 920 HB ILE 45 HB ILE 45 11.062 -9.056 -2.553 921 HG12 ILE 45 1HG1 ILE 45 12.418 -9.458 0.121 922 HG13 ILE 45 2HG1 ILE 45 13.234 -8.972 -1.362 923 HG21 ILE 45 1HG2 ILE 45 9.596 -8.606 -0.638 924 HG22 ILE 45 2HG2 ILE 45 10.008 -10.180 0.042 925 HG23 ILE 45 3HG2 ILE 45 9.124 -10.081 -1.481 926 HD11 ILE 45 1HD1 ILE 45 12.795 -7.094 0.149 927 HD12 ILE 45 2HD1 ILE 45 11.065 -7.403 0.007 928 HD13 ILE 45 3HD1 ILE 45 11.994 -6.908 -1.409 929 H MET 46 H MET 46 11.217 -13.478 -2.382 930 HA MET 46 HA MET 46 9.562 -13.154 -4.728 931 HB2 MET 46 1HB MET 46 10.368 -15.656 -3.241 932 HB3 MET 46 2HB MET 46 9.596 -15.605 -4.819 933 HG2 MET 46 1HG MET 46 12.171 -14.172 -4.429 934 HG3 MET 46 2HG MET 46 12.179 -15.923 -4.572 935 HE1 MET 46 1HE MET 46 11.347 -12.543 -6.190 936 HE2 MET 46 2HE MET 46 9.797 -13.281 -6.604 937 HE3 MET 46 3HE MET 46 10.974 -12.936 -7.868 938 H ASP 47 H ASP 47 9.124 -13.234 -1.445 939 HA ASP 47 HA ASP 47 6.794 -14.593 -0.894 940 HB2 ASP 47 1HB ASP 47 7.562 -11.856 0.107 941 HB3 ASP 47 2HB ASP 47 6.458 -12.964 0.904 942 HA PRO 48 HA PRO 48 4.352 -12.590 -4.073 943 HB2 PRO 48 1HB PRO 48 2.186 -14.227 -2.903 944 HB3 PRO 48 2HB PRO 48 2.773 -14.152 -4.564 945 HG2 PRO 48 1HG PRO 48 3.327 -16.242 -3.018 946 HG3 PRO 48 2HG PRO 48 4.523 -15.600 -4.156 947 HD2 PRO 48 1HD PRO 48 4.342 -15.239 -1.196 948 HD3 PRO 48 2HD PRO 48 5.769 -15.514 -2.216 949 H GLN 49 H GLN 49 2.766 -13.085 -0.896 950 HA GLN 49 HA GLN 49 1.000 -10.880 -1.268 951 HB2 GLN 49 1HB GLN 49 1.765 -12.506 1.141 952 HB3 GLN 49 2HB GLN 49 0.691 -11.124 1.263 953 HG2 GLN 49 1HG GLN 49 -0.851 -12.178 -0.303 954 HG3 GLN 49 2HG GLN 49 0.222 -13.569 -0.426 955 HE21 GLN 49 1HE2 GLN 49 -2.048 -11.864 1.558 956 HE22 GLN 49 2HE2 GLN 49 -2.249 -13.101 2.746 957 H HIS 50 H HIS 50 4.119 -11.324 0.235 958 HA HIS 50 HA HIS 50 4.215 -8.804 1.539 959 HB2 HIS 50 1HB HIS 50 6.466 -10.586 0.619 960 HB3 HIS 50 2HB HIS 50 6.645 -9.229 1.714 961 HD1 HIS 50 HD1 HIS 50 7.642 -11.265 3.294 962 HD2 HIS 50 HD2 HIS 50 3.541 -11.205 2.623 963 HE1 HIS 50 HE1 HIS 50 6.645 -12.716 5.075 964 HE2 HIS 50 HE2 HIS 50 4.158 -12.564 4.732 965 H ARG 51 H ARG 51 5.360 -10.003 -1.568 966 HA ARG 51 HA ARG 51 6.400 -7.686 -2.675 967 HB2 ARG 51 1HB ARG 51 4.871 -9.994 -3.850 968 HB3 ARG 51 2HB ARG 51 5.422 -8.667 -4.860 969 HG2 ARG 51 1HG ARG 51 7.632 -9.228 -4.627 970 HG3 ARG 51 2HG ARG 51 7.367 -10.067 -3.098 971 HD2 ARG 51 1HD ARG 51 7.864 -11.553 -5.051 972 HD3 ARG 51 2HD ARG 51 6.376 -11.922 -4.188 973 HE ARG 51 HE ARG 51 5.933 -10.189 -6.416 974 HH11 ARG 51 1HH1 ARG 51 6.429 -13.525 -5.477 975 HH12 ARG 51 2HH1 ARG 51 5.598 -14.171 -6.857 976 HH21 ARG 51 1HH2 ARG 51 4.797 -11.028 -8.222 977 HH22 ARG 51 2HH2 ARG 51 4.660 -12.754 -8.410 978 H ALA 52 H ALA 52 3.090 -8.886 -2.734 979 HA ALA 52 HA ALA 52 1.884 -6.877 -4.183 980 HB1 ALA 52 1HB ALA 52 -0.188 -7.625 -3.123 981 HB2 ALA 52 2HB ALA 52 0.747 -8.490 -1.907 982 HB3 ALA 52 3HB ALA 52 0.821 -8.989 -3.596 983 H LYS 53 H LYS 53 2.485 -7.046 -0.690 984 HA LYS 53 HA LYS 53 1.210 -4.590 -0.077 985 HB2 LYS 53 1HB LYS 53 3.410 -5.946 1.482 986 HB3 LYS 53 2HB LYS 53 2.271 -4.753 2.089 987 HG2 LYS 53 1HG LYS 53 0.470 -6.450 1.369 988 HG3 LYS 53 2HG LYS 53 1.799 -7.609 1.363 989 HD2 LYS 53 1HD LYS 53 0.964 -7.849 3.502 990 HD3 LYS 53 2HD LYS 53 2.255 -6.674 3.753 991 HE2 LYS 53 1HE LYS 53 0.669 -4.857 3.727 992 HE3 LYS 53 2HE LYS 53 -0.641 -5.971 3.324 993 HZ1 LYS 53 1HZ LYS 53 -0.698 -5.465 5.655 994 HZ2 LYS 53 2HZ LYS 53 0.920 -5.918 5.848 995 HZ3 LYS 53 3HZ LYS 53 -0.245 -7.083 5.465 996 H LEU 54 H LEU 54 4.654 -5.423 -0.416 997 HA LEU 54 HA LEU 54 5.726 -2.904 0.030 998 HB2 LEU 54 1HB LEU 54 6.696 -5.140 -1.740 999 HB3 LEU 54 2HB LEU 54 7.655 -3.731 -1.340 1000 HG LEU 54 HG LEU 54 6.566 -5.631 0.729 1001 HD11 LEU 54 1HD1 LEU 54 9.276 -5.564 -0.580 1002 HD12 LEU 54 2HD1 LEU 54 8.078 -6.856 -0.689 1003 HD13 LEU 54 3HD1 LEU 54 8.864 -6.510 0.851 1004 HD21 LEU 54 1HD2 LEU 54 7.067 -3.414 1.567 1005 HD22 LEU 54 2HD2 LEU 54 8.671 -3.480 0.838 1006 HD23 LEU 54 3HD2 LEU 54 8.257 -4.575 2.157 1007 H LEU 55 H LEU 55 4.604 -4.357 -2.983 1008 HA LEU 55 HA LEU 55 5.360 -2.263 -4.706 1009 HB2 LEU 55 1HB LEU 55 3.333 -4.460 -4.855 1010 HB3 LEU 55 2HB LEU 55 3.376 -3.228 -6.096 1011 HG LEU 55 HG LEU 55 5.226 -4.085 -7.075 1012 HD11 LEU 55 1HD1 LEU 55 6.745 -3.550 -5.275 1013 HD12 LEU 55 2HD1 LEU 55 7.084 -5.165 -5.897 1014 HD13 LEU 55 3HD1 LEU 55 6.213 -4.970 -4.374 1015 HD21 LEU 55 1HD2 LEU 55 4.228 -6.394 -5.429 1016 HD22 LEU 55 2HD2 LEU 55 5.402 -6.561 -6.732 1017 HD23 LEU 55 3HD2 LEU 55 3.777 -5.965 -7.079 1018 H THR 56 H THR 56 2.303 -2.947 -3.049 1019 HA THR 56 HA THR 56 0.841 -0.782 -4.077 1020 HB THR 56 HB THR 56 0.523 -2.124 -1.391 1021 HG1 THR 56 HG1 THR 56 0.316 -3.713 -2.870 1022 HG21 THR 56 1HG2 THR 56 -1.472 -0.633 -3.093 1023 HG22 THR 56 2HG2 THR 56 -0.733 -0.015 -1.615 1024 HG23 THR 56 3HG2 THR 56 -1.802 -1.419 -1.549 1025 H ALA 57 H ALA 57 2.834 -1.114 -1.181 1026 HA ALA 57 HA ALA 57 2.382 1.405 -0.083 1027 HB1 ALA 57 1HB ALA 57 3.511 -0.287 1.181 1028 HB2 ALA 57 2HB ALA 57 4.594 1.094 1.005 1029 HB3 ALA 57 3HB ALA 57 4.829 -0.345 0.012 1030 H ALA 58 H ALA 58 4.853 0.312 -2.380 1031 HA ALA 58 HA ALA 58 6.087 2.810 -2.748 1032 HB1 ALA 58 1HB ALA 58 7.090 0.676 -3.398 1033 HB2 ALA 58 2HB ALA 58 7.077 1.834 -4.729 1034 HB3 ALA 58 3HB ALA 58 5.900 0.517 -4.690 1035 H GLU 59 H GLU 59 3.413 1.237 -4.437 1036 HA GLU 59 HA GLU 59 3.005 3.054 -6.504 1037 HB2 GLU 59 1HB GLU 59 0.999 1.436 -4.928 1038 HB3 GLU 59 2HB GLU 59 0.605 2.311 -6.396 1039 HG2 GLU 59 1HG GLU 59 2.594 0.072 -6.175 1040 HG3 GLU 59 2HG GLU 59 0.954 -0.065 -6.798 1041 H LEU 60 H LEU 60 1.461 2.977 -3.301 1042 HA LEU 60 HA LEU 60 0.091 5.413 -3.662 1043 HB2 LEU 60 1HB LEU 60 0.590 3.571 -1.412 1044 HB3 LEU 60 2HB LEU 60 0.195 5.224 -0.983 1045 HG LEU 60 HG LEU 60 -1.897 5.065 -2.243 1046 HD11 LEU 60 1HD1 LEU 60 -1.242 3.494 -3.957 1047 HD12 LEU 60 2HD1 LEU 60 -2.656 2.892 -3.088 1048 HD13 LEU 60 3HD1 LEU 60 -1.060 2.217 -2.751 1049 HD21 LEU 60 1HD2 LEU 60 -2.038 4.561 0.057 1050 HD22 LEU 60 2HD2 LEU 60 -1.366 2.951 -0.186 1051 HD23 LEU 60 3HD2 LEU 60 -2.981 3.332 -0.788 1052 H LEU 61 H LEU 61 3.164 4.659 -2.016 1053 HA LEU 61 HA LEU 61 3.578 7.199 -0.914 1054 HB2 LEU 61 1HB LEU 61 5.514 5.069 -1.772 1055 HB3 LEU 61 2HB LEU 61 6.024 6.541 -0.970 1056 HG LEU 61 HG LEU 61 4.103 4.535 0.202 1057 HD11 LEU 61 1HD1 LEU 61 5.987 3.937 1.661 1058 HD12 LEU 61 2HD1 LEU 61 7.040 4.970 0.694 1059 HD13 LEU 61 3HD1 LEU 61 6.283 3.552 -0.031 1060 HD21 LEU 61 1HD2 LEU 61 4.503 5.760 2.286 1061 HD22 LEU 61 2HD2 LEU 61 3.777 6.792 1.053 1062 HD23 LEU 61 3HD2 LEU 61 5.500 6.920 1.407 1063 H LEU 62 H LEU 62 3.853 6.165 -4.180 1064 HA LEU 62 HA LEU 62 5.673 8.204 -5.011 1065 HB2 LEU 62 1HB LEU 62 5.326 6.044 -6.195 1066 HB3 LEU 62 2HB LEU 62 3.733 6.599 -6.666 1067 HG LEU 62 HG LEU 62 4.728 8.411 -7.975 1068 HD11 LEU 62 1HD1 LEU 62 7.351 7.229 -7.073 1069 HD12 LEU 62 2HD1 LEU 62 6.724 8.832 -6.686 1070 HD13 LEU 62 3HD1 LEU 62 7.171 8.435 -8.345 1071 HD21 LEU 62 1HD2 LEU 62 5.963 5.737 -8.607 1072 HD22 LEU 62 2HD2 LEU 62 5.668 7.053 -9.743 1073 HD23 LEU 62 3HD2 LEU 62 4.311 6.209 -8.995 1074 H ASP 63 H ASP 63 2.243 7.979 -4.556 1075 HA ASP 63 HA ASP 63 1.892 10.641 -5.769 1076 HB2 ASP 63 1HB ASP 63 -0.037 8.380 -5.309 1077 HB3 ASP 63 2HB ASP 63 -0.590 10.015 -5.646 1078 H TYR 64 H TYR 64 1.475 8.769 -2.884 1079 HA TYR 64 HA TYR 64 0.113 10.981 -1.523 1080 HB2 TYR 64 1HB TYR 64 0.311 8.042 -0.856 1081 HB3 TYR 64 2HB TYR 64 -0.502 9.233 0.150 1082 HD1 TYR 64 HD1 TYR 64 -2.600 10.254 -0.593 1083 HD2 TYR 64 HD2 TYR 64 -0.694 7.214 -2.868 1084 HE1 TYR 64 HE1 TYR 64 -4.673 9.913 -1.857 1085 HE2 TYR 64 HE2 TYR 64 -2.759 6.858 -4.138 1086 HH TYR 64 HH TYR 64 -5.357 9.012 -4.079 1087 H ASP 65 H ASP 65 2.863 11.257 -1.893 1088 HA ASP 65 HA ASP 65 4.259 10.294 0.441 1089 HB2 ASP 65 1HB ASP 65 6.180 11.487 -0.467 1090 HB3 ASP 65 2HB ASP 65 5.402 10.527 -1.721 1091 H THR 66 H THR 66 2.046 11.796 1.156 1092 HA THR 66 HA THR 66 1.264 13.577 2.313 1093 HB THR 66 HB THR 66 2.878 14.413 4.131 1094 HG1 THR 66 HG1 THR 66 4.650 13.190 2.680 1095 HG21 THR 66 1HG2 THR 66 1.121 12.778 4.532 1096 HG22 THR 66 2HG2 THR 66 2.577 12.359 5.434 1097 HG23 THR 66 3HG2 THR 66 2.174 11.489 3.956 1098 H GLY 67 H GLY 67 2.288 14.327 -0.213 1099 HA2 GLY 67 1HA GLY 67 3.670 16.862 0.252 1100 HA3 GLY 67 2HA GLY 67 3.382 16.110 -1.311 1101 H CYS 68 H CYS 68 0.918 16.455 1.097 1102 HA CYS 68 HA CYS 68 -1.038 17.579 1.212 1103 HB2 CYS 68 1HB CYS 68 0.327 19.574 -0.597 1104 HB3 CYS 68 2HB CYS 68 -1.153 19.850 0.313 1105 H GLU 69 H GLU 69 -2.984 18.080 0.014 1106 HA GLU 69 HA GLU 69 -3.066 16.637 -2.519 1107 HB2 GLU 69 1HB GLU 69 -5.587 16.885 -2.197 1108 HB3 GLU 69 2HB GLU 69 -4.737 15.849 -1.062 1109 HG2 GLU 69 1HG GLU 69 -4.839 17.510 0.644 1110 HG3 GLU 69 2HG GLU 69 -5.453 18.713 -0.491 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 -2.912 10.581 -10.533 2 H2 GLY 1 2H GLY 1 -2.676 9.054 -9.851 3 H3 GLY 1 3H GLY 1 -1.375 10.125 -9.989 4 HA2 GLY 1 2HA GLY 1 -2.094 10.113 -7.723 5 HA3 GLY 1 1HA GLY 1 -2.482 11.664 -8.456 6 HA PRO 2 HA PRO 2 -6.488 8.889 -8.073 7 HB2 PRO 2 1HB PRO 2 -5.933 7.581 -5.504 8 HB3 PRO 2 2HB PRO 2 -6.573 6.896 -7.000 9 HG2 PRO 2 1HG PRO 2 -4.087 6.349 -6.175 10 HG3 PRO 2 2HG PRO 2 -4.474 6.541 -7.895 11 HD2 PRO 2 1HD PRO 2 -3.197 8.493 -6.014 12 HD3 PRO 2 2HD PRO 2 -2.769 8.104 -7.695 13 H LYS 3 H LYS 3 -7.865 10.410 -7.581 14 HA LYS 3 HA LYS 3 -7.829 11.624 -4.921 15 HB2 LYS 3 1HB LYS 3 -9.500 12.336 -7.335 16 HB3 LYS 3 2HB LYS 3 -9.364 13.265 -5.852 17 HG2 LYS 3 1HG LYS 3 -7.100 12.720 -7.759 18 HG3 LYS 3 2HG LYS 3 -8.048 14.205 -7.710 19 HD2 LYS 3 1HD LYS 3 -6.446 13.131 -5.391 20 HD3 LYS 3 2HD LYS 3 -5.861 14.350 -6.522 21 HE2 LYS 3 1HE LYS 3 -8.285 14.604 -4.745 22 HE3 LYS 3 2HE LYS 3 -6.720 15.363 -4.468 23 HZ1 LYS 3 1HZ LYS 3 -8.198 16.941 -5.458 24 HZ2 LYS 3 2HZ LYS 3 -8.568 15.892 -6.731 25 HZ3 LYS 3 3HZ LYS 3 -7.015 16.542 -6.596 26 H THR 4 H THR 4 -9.332 9.200 -6.705 27 HA THR 4 HA THR 4 -11.561 9.121 -4.810 28 HB THR 4 HB THR 4 -12.958 8.136 -6.625 29 HG1 THR 4 HG1 THR 4 -12.123 8.696 -8.808 30 HG21 THR 4 1HG2 THR 4 -13.222 10.472 -6.034 31 HG22 THR 4 2HG2 THR 4 -13.395 10.270 -7.778 32 HG23 THR 4 3HG2 THR 4 -11.895 10.916 -7.109 33 H LEU 5 H LEU 5 -12.641 6.918 -4.869 34 HA LEU 5 HA LEU 5 -10.806 5.039 -3.919 35 HB2 LEU 5 1HB LEU 5 -13.254 5.320 -3.340 36 HB3 LEU 5 2HB LEU 5 -13.626 4.496 -4.837 37 HG LEU 5 HG LEU 5 -13.628 3.189 -2.599 38 HD11 LEU 5 1HD1 LEU 5 -12.854 1.149 -3.758 39 HD12 LEU 5 2HD1 LEU 5 -12.278 2.163 -5.083 40 HD13 LEU 5 3HD1 LEU 5 -13.999 2.106 -4.700 41 HD21 LEU 5 1HD2 LEU 5 -10.692 3.153 -3.265 42 HD22 LEU 5 2HD2 LEU 5 -11.493 2.179 -2.032 43 HD23 LEU 5 3HD2 LEU 5 -11.426 3.934 -1.863 44 H HIS 6 H HIS 6 -12.742 5.022 -6.906 45 HA HIS 6 HA HIS 6 -11.774 2.645 -7.976 46 HB2 HIS 6 1HB HIS 6 -13.727 3.890 -8.840 47 HB3 HIS 6 2HB HIS 6 -12.646 5.116 -9.477 48 HD1 HIS 6 HD1 HIS 6 -13.453 4.688 -11.889 49 HD2 HIS 6 HD2 HIS 6 -11.744 1.365 -10.074 50 HE1 HIS 6 HE1 HIS 6 -13.082 3.025 -13.732 51 HE2 HIS 6 HE2 HIS 6 -12.189 0.971 -12.591 52 H GLU 7 H GLU 7 -10.527 5.929 -8.283 53 HA GLU 7 HA GLU 7 -8.487 5.448 -10.127 54 HB2 GLU 7 1HB GLU 7 -8.765 7.439 -7.892 55 HB3 GLU 7 2HB GLU 7 -7.377 7.429 -8.970 56 HG2 GLU 7 1HG GLU 7 -10.163 7.575 -10.033 57 HG3 GLU 7 2HG GLU 7 -9.314 9.015 -9.477 58 H LEU 8 H LEU 8 -8.548 5.190 -6.610 59 HA LEU 8 HA LEU 8 -5.794 4.628 -6.299 60 HB2 LEU 8 1HB LEU 8 -7.426 5.458 -4.560 61 HB3 LEU 8 2HB LEU 8 -8.035 3.821 -4.456 62 HG LEU 8 HG LEU 8 -6.347 4.614 -2.701 63 HD11 LEU 8 1HD1 LEU 8 -5.216 2.393 -2.677 64 HD12 LEU 8 2HD1 LEU 8 -5.985 2.056 -4.227 65 HD13 LEU 8 3HD1 LEU 8 -6.974 2.326 -2.792 66 HD21 LEU 8 1HD2 LEU 8 -4.020 4.436 -3.258 67 HD22 LEU 8 2HD2 LEU 8 -4.787 5.620 -4.317 68 HD23 LEU 8 3HD2 LEU 8 -4.417 4.006 -4.921 69 H LEU 9 H LEU 9 -8.667 2.582 -6.547 70 HA LEU 9 HA LEU 9 -7.388 0.116 -6.199 71 HB2 LEU 9 1HB LEU 9 -9.919 0.983 -7.517 72 HB3 LEU 9 2HB LEU 9 -9.355 -0.653 -7.771 73 HG LEU 9 HG LEU 9 -11.036 -0.414 -5.945 74 HD11 LEU 9 1HD1 LEU 9 -9.549 -2.322 -6.010 75 HD12 LEU 9 2HD1 LEU 9 -9.833 -1.819 -4.342 76 HD13 LEU 9 3HD1 LEU 9 -8.313 -1.411 -5.141 77 HD21 LEU 9 1HD2 LEU 9 -10.263 1.749 -5.078 78 HD22 LEU 9 2HD2 LEU 9 -8.799 0.969 -4.480 79 HD23 LEU 9 3HD2 LEU 9 -10.371 0.517 -3.821 80 H GLU 10 H GLU 10 -7.935 2.034 -9.130 81 HA GLU 10 HA GLU 10 -6.751 0.138 -10.881 82 HB2 GLU 10 1HB GLU 10 -7.131 3.117 -11.177 83 HB3 GLU 10 2HB GLU 10 -6.583 2.056 -12.467 84 HG2 GLU 10 1HG GLU 10 -8.704 0.782 -12.220 85 HG3 GLU 10 2HG GLU 10 -9.248 2.012 -11.080 86 H ARG 11 H ARG 11 -5.488 2.658 -8.850 87 HA ARG 11 HA ARG 11 -2.936 2.940 -10.010 88 HB2 ARG 11 1HB ARG 11 -4.258 4.277 -8.122 89 HB3 ARG 11 2HB ARG 11 -3.317 3.238 -7.069 90 HG2 ARG 11 1HG ARG 11 -2.085 4.977 -9.182 91 HG3 ARG 11 2HG ARG 11 -2.373 5.516 -7.533 92 HD2 ARG 11 1HD ARG 11 -0.213 4.815 -7.343 93 HD3 ARG 11 2HD ARG 11 -1.056 3.322 -6.946 94 HE ARG 11 HE ARG 11 -0.373 2.397 -8.959 95 HH11 ARG 11 1HH1 ARG 11 0.576 5.783 -8.779 96 HH12 ARG 11 2HH1 ARG 11 1.722 5.648 -10.084 97 HH21 ARG 11 1HH2 ARG 11 1.156 2.235 -10.642 98 HH22 ARG 11 2HH2 ARG 11 2.049 3.634 -11.137 99 H ILE 12 H ILE 12 -4.137 0.943 -7.335 100 HA ILE 12 HA ILE 12 -1.545 -0.308 -7.035 101 HB ILE 12 HB ILE 12 -2.553 -1.537 -5.179 102 HG12 ILE 12 1HG1 ILE 12 -5.084 -0.023 -5.871 103 HG13 ILE 12 2HG1 ILE 12 -4.843 -1.752 -6.104 104 HG21 ILE 12 1HG2 ILE 12 -1.582 0.646 -4.799 105 HG22 ILE 12 2HG2 ILE 12 -2.990 0.422 -3.758 106 HG23 ILE 12 3HG2 ILE 12 -3.115 1.421 -5.206 107 HD11 ILE 12 1HD1 ILE 12 -4.562 -2.026 -3.687 108 HD12 ILE 12 2HD1 ILE 12 -6.128 -1.324 -4.101 109 HD13 ILE 12 3HD1 ILE 12 -4.841 -0.296 -3.471 110 H GLY 13 H GLY 13 -4.418 -0.905 -8.768 111 HA2 GLY 13 1HA GLY 13 -4.471 -2.432 -10.558 112 HA3 GLY 13 2HA GLY 13 -3.187 -3.347 -9.787 113 H LEU 14 H LEU 14 -6.098 -2.296 -8.156 114 HA LEU 14 HA LEU 14 -7.071 -5.068 -8.205 115 HB2 LEU 14 1HB LEU 14 -6.972 -3.142 -5.911 116 HB3 LEU 14 2HB LEU 14 -8.143 -4.445 -5.948 117 HG LEU 14 HG LEU 14 -6.418 -5.316 -4.672 118 HD11 LEU 14 1HD1 LEU 14 -5.425 -7.077 -5.970 119 HD12 LEU 14 2HD1 LEU 14 -5.745 -6.197 -7.462 120 HD13 LEU 14 3HD1 LEU 14 -7.088 -6.811 -6.496 121 HD21 LEU 14 1HD2 LEU 14 -4.782 -3.577 -5.022 122 HD22 LEU 14 2HD2 LEU 14 -4.456 -4.184 -6.647 123 HD23 LEU 14 3HD2 LEU 14 -4.058 -5.167 -5.240 124 H GLU 15 H GLU 15 -7.691 -2.914 -9.981 125 HA GLU 15 HA GLU 15 -10.136 -1.693 -9.390 126 HB2 GLU 15 1HB GLU 15 -10.378 -1.446 -11.845 127 HB3 GLU 15 2HB GLU 15 -8.813 -0.928 -11.239 128 HG2 GLU 15 1HG GLU 15 -7.812 -3.006 -11.992 129 HG3 GLU 15 2HG GLU 15 -9.382 -3.566 -12.563 130 H GLU 16 H GLU 16 -9.370 -4.938 -10.153 131 HA GLU 16 HA GLU 16 -11.811 -5.908 -11.112 132 HB2 GLU 16 1HB GLU 16 -11.075 -8.088 -10.247 133 HB3 GLU 16 2HB GLU 16 -9.776 -7.262 -11.094 134 HG2 GLU 16 1HG GLU 16 -8.779 -6.600 -8.991 135 HG3 GLU 16 2HG GLU 16 -10.121 -7.318 -8.105 136 H HIS 17 H HIS 17 -10.913 -4.760 -7.993 137 HA HIS 17 HA HIS 17 -13.339 -5.955 -6.829 138 HB2 HIS 17 1HB HIS 17 -10.678 -5.300 -5.611 139 HB3 HIS 17 2HB HIS 17 -12.116 -5.436 -4.611 140 HD1 HIS 17 HD1 HIS 17 -13.482 -7.871 -5.299 141 HD2 HIS 17 HD2 HIS 17 -9.340 -7.633 -5.640 142 HE1 HIS 17 HE1 HIS 17 -12.659 -10.243 -5.234 143 HE2 HIS 17 HE2 HIS 17 -10.178 -10.094 -5.624 144 H THR 18 H THR 18 -12.527 -3.176 -8.180 145 HA THR 18 HA THR 18 -12.921 -1.189 -6.274 146 HB THR 18 HB THR 18 -14.002 -1.014 -9.076 147 HG1 THR 18 HG1 THR 18 -11.979 -1.396 -9.605 148 HG21 THR 18 1HG2 THR 18 -14.608 0.800 -7.562 149 HG22 THR 18 2HG2 THR 18 -13.490 1.363 -8.806 150 HG23 THR 18 3HG2 THR 18 -12.906 1.048 -7.171 151 H SER 19 H SER 19 -15.316 -2.880 -8.273 152 HA SER 19 HA SER 19 -17.577 -1.560 -7.273 153 HB2 SER 19 1HB SER 19 -17.482 -3.003 -9.329 154 HB3 SER 19 2HB SER 19 -17.469 -4.408 -8.269 155 HG SER 19 HG SER 19 -19.543 -4.219 -8.073 156 H THR 20 H THR 20 -15.777 -4.355 -6.116 157 HA THR 20 HA THR 20 -17.545 -5.292 -4.176 158 HB THR 20 HB THR 20 -14.535 -5.189 -3.906 159 HG1 THR 20 HG1 THR 20 -16.202 -7.070 -5.263 160 HG21 THR 20 1HG2 THR 20 -16.609 -7.059 -2.764 161 HG22 THR 20 2HG2 THR 20 -15.684 -5.850 -1.872 162 HG23 THR 20 3HG2 THR 20 -14.865 -7.241 -2.584 163 H LEU 21 H LEU 21 -14.860 -2.978 -3.805 164 HA LEU 21 HA LEU 21 -15.456 -2.256 -1.155 165 HB2 LEU 21 1HB LEU 21 -13.970 -0.877 -3.376 166 HB3 LEU 21 2HB LEU 21 -14.190 -0.101 -1.827 167 HG LEU 21 HG LEU 21 -12.100 -0.999 -1.569 168 HD11 LEU 21 1HD1 LEU 21 -12.216 -2.951 -0.147 169 HD12 LEU 21 2HD1 LEU 21 -13.848 -3.290 -0.718 170 HD13 LEU 21 3HD1 LEU 21 -13.529 -1.830 0.221 171 HD21 LEU 21 1HD2 LEU 21 -12.966 -3.440 -3.100 172 HD22 LEU 21 2HD2 LEU 21 -11.354 -3.142 -2.449 173 HD23 LEU 21 3HD2 LEU 21 -11.996 -2.108 -3.726 174 H LEU 22 H LEU 22 -16.282 -0.759 -4.237 175 HA LEU 22 HA LEU 22 -17.526 1.539 -3.351 176 HB2 LEU 22 1HB LEU 22 -16.871 0.834 -5.700 177 HB3 LEU 22 2HB LEU 22 -18.376 -0.060 -5.750 178 HG LEU 22 HG LEU 22 -19.594 2.082 -5.361 179 HD11 LEU 22 1HD1 LEU 22 -17.790 3.333 -4.314 180 HD12 LEU 22 2HD1 LEU 22 -18.388 4.174 -5.744 181 HD13 LEU 22 3HD1 LEU 22 -16.868 3.282 -5.815 182 HD21 LEU 22 1HD2 LEU 22 -17.809 1.966 -7.787 183 HD22 LEU 22 2HD2 LEU 22 -19.309 2.884 -7.649 184 HD23 LEU 22 3HD2 LEU 22 -19.345 1.122 -7.590 185 H LEU 23 H LEU 23 -18.981 -1.646 -3.960 186 HA LEU 23 HA LEU 23 -21.640 -0.749 -3.423 187 HB2 LEU 23 1HB LEU 23 -20.520 -3.541 -3.547 188 HB3 LEU 23 2HB LEU 23 -22.223 -3.134 -3.514 189 HG LEU 23 HG LEU 23 -20.258 -2.530 -5.720 190 HD11 LEU 23 1HD1 LEU 23 -21.007 -4.831 -5.653 191 HD12 LEU 23 2HD1 LEU 23 -21.712 -3.991 -7.035 192 HD13 LEU 23 3HD1 LEU 23 -22.689 -4.302 -5.600 193 HD21 LEU 23 1HD2 LEU 23 -23.166 -1.760 -5.482 194 HD22 LEU 23 2HD2 LEU 23 -22.180 -1.597 -6.935 195 HD23 LEU 23 3HD2 LEU 23 -21.786 -0.662 -5.493 196 H ASN 24 H ASN 24 -19.058 -2.043 -1.507 197 HA ASN 24 HA ASN 24 -20.880 -2.701 0.658 198 HB2 ASN 24 1HB ASN 24 -17.985 -3.267 0.152 199 HB3 ASN 24 2HB ASN 24 -18.664 -3.458 1.764 200 HD21 ASN 24 1HD2 ASN 24 -18.525 -4.696 -1.448 201 HD22 ASN 24 2HD2 ASN 24 -19.434 -6.144 -1.162 202 H GLY 25 H GLY 25 -19.701 0.063 -0.356 203 HA2 GLY 25 1HA GLY 25 -20.322 1.975 0.971 204 HA3 GLY 25 2HA GLY 25 -19.770 1.112 2.394 205 H TYR 26 H TYR 26 -17.434 0.327 0.447 206 HA TYR 26 HA TYR 26 -15.700 2.452 1.366 207 HB2 TYR 26 1HB TYR 26 -15.149 -0.048 -0.233 208 HB3 TYR 26 2HB TYR 26 -13.910 1.055 0.354 209 HD1 TYR 26 HD1 TYR 26 -13.700 1.371 2.858 210 HD2 TYR 26 HD2 TYR 26 -15.976 -1.765 1.112 211 HE1 TYR 26 HE1 TYR 26 -13.614 0.140 4.979 212 HE2 TYR 26 HE2 TYR 26 -15.903 -3.007 3.230 213 HH TYR 26 HH TYR 26 -15.041 -1.633 6.129 214 H GLN 27 H GLN 27 -16.937 4.002 0.056 215 HA GLN 27 HA GLN 27 -16.477 3.832 -2.824 216 HB2 GLN 27 1HB GLN 27 -18.168 5.808 -1.303 217 HB3 GLN 27 2HB GLN 27 -18.189 5.502 -3.034 218 HG2 GLN 27 1HG GLN 27 -18.943 3.187 -2.540 219 HG3 GLN 27 2HG GLN 27 -19.071 3.649 -0.847 220 HE21 GLN 27 1HE2 GLN 27 -21.107 2.731 -2.704 221 HE22 GLN 27 2HE2 GLN 27 -22.312 3.968 -2.741 222 H THR 28 H THR 28 -15.158 5.210 -0.106 223 HA THR 28 HA THR 28 -13.845 7.286 -1.710 224 HB THR 28 HB THR 28 -13.833 8.749 0.288 225 HG1 THR 28 HG1 THR 28 -15.679 7.929 1.819 226 HG21 THR 28 1HG2 THR 28 -16.193 9.404 0.198 227 HG22 THR 28 2HG2 THR 28 -16.591 7.864 -0.569 228 HG23 THR 28 3HG2 THR 28 -15.574 9.034 -1.412 229 H LEU 29 H LEU 29 -11.745 7.889 -0.936 230 HA LEU 29 HA LEU 29 -10.150 5.748 -0.007 231 HB2 LEU 29 1HB LEU 29 -9.537 8.705 -0.029 232 HB3 LEU 29 2HB LEU 29 -8.360 7.409 0.089 233 HG LEU 29 HG LEU 29 -10.137 7.959 -2.289 234 HD11 LEU 29 1HD1 LEU 29 -7.179 8.378 -1.903 235 HD12 LEU 29 2HD1 LEU 29 -8.404 9.641 -2.032 236 HD13 LEU 29 3HD1 LEU 29 -8.064 8.597 -3.414 237 HD21 LEU 29 1HD2 LEU 29 -7.927 5.943 -1.941 238 HD22 LEU 29 2HD2 LEU 29 -8.855 6.239 -3.411 239 HD23 LEU 29 3HD2 LEU 29 -9.652 5.581 -1.983 240 H GLU 30 H GLU 30 -11.888 8.304 1.496 241 HA GLU 30 HA GLU 30 -10.743 8.262 4.068 242 HB2 GLU 30 1HB GLU 30 -13.553 8.951 3.196 243 HB3 GLU 30 2HB GLU 30 -12.860 9.330 4.765 244 HG2 GLU 30 1HG GLU 30 -11.278 10.825 3.774 245 HG3 GLU 30 2HG GLU 30 -11.770 10.343 2.153 246 H ASP 31 H ASP 31 -13.214 6.309 2.512 247 HA ASP 31 HA ASP 31 -13.826 4.924 4.994 248 HB2 ASP 31 1HB ASP 31 -15.441 5.499 2.977 249 HB3 ASP 31 2HB ASP 31 -14.810 3.992 2.328 250 H PHE 32 H PHE 32 -12.104 4.433 1.993 251 HA PHE 32 HA PHE 32 -11.638 1.670 2.229 252 HB2 PHE 32 1HB PHE 32 -11.380 2.956 0.132 253 HB3 PHE 32 2HB PHE 32 -9.950 3.730 0.803 254 HD1 PHE 32 HD1 PHE 32 -11.326 0.655 -0.612 255 HD2 PHE 32 HD2 PHE 32 -7.887 2.499 1.065 256 HE1 PHE 32 HE1 PHE 32 -9.929 -1.181 -1.467 257 HE2 PHE 32 HE2 PHE 32 -6.483 0.676 0.212 258 HZ PHE 32 HZ PHE 32 -7.499 -1.167 -1.058 259 H LYS 33 H LYS 33 -9.968 4.421 3.635 260 HA LYS 33 HA LYS 33 -7.647 2.983 4.401 261 HB2 LYS 33 1HB LYS 33 -7.261 4.852 5.978 262 HB3 LYS 33 2HB LYS 33 -7.584 5.386 4.335 263 HG2 LYS 33 1HG LYS 33 -9.889 5.889 4.949 264 HG3 LYS 33 2HG LYS 33 -9.561 5.358 6.600 265 HD2 LYS 33 1HD LYS 33 -9.465 7.782 6.436 266 HD3 LYS 33 2HD LYS 33 -7.878 7.120 6.828 267 HE2 LYS 33 1HE LYS 33 -7.161 7.385 4.538 268 HE3 LYS 33 2HE LYS 33 -8.771 7.911 4.057 269 HZ1 LYS 33 1HZ LYS 33 -8.523 9.849 5.469 270 HZ2 LYS 33 2HZ LYS 33 -7.262 9.785 4.340 271 HZ3 LYS 33 3HZ LYS 33 -6.987 9.337 5.952 272 H GLU 34 H GLU 34 -10.820 2.767 5.429 273 HA GLU 34 HA GLU 34 -10.085 1.634 8.033 274 HB2 GLU 34 1HB GLU 34 -12.836 2.102 6.877 275 HB3 GLU 34 2HB GLU 34 -12.456 1.659 8.534 276 HG2 GLU 34 1HG GLU 34 -11.260 3.823 8.769 277 HG3 GLU 34 2HG GLU 34 -11.832 4.257 7.159 278 H LEU 35 H LEU 35 -10.291 0.730 4.931 279 HA LEU 35 HA LEU 35 -11.744 -1.723 5.114 280 HB2 LEU 35 1HB LEU 35 -11.531 -0.458 3.036 281 HB3 LEU 35 2HB LEU 35 -9.795 -0.636 3.076 282 HG LEU 35 HG LEU 35 -11.240 -2.067 1.467 283 HD11 LEU 35 1HD1 LEU 35 -9.090 -3.375 3.106 284 HD12 LEU 35 2HD1 LEU 35 -8.799 -2.199 1.824 285 HD13 LEU 35 3HD1 LEU 35 -9.548 -3.750 1.444 286 HD21 LEU 35 1HD2 LEU 35 -11.421 -3.694 3.994 287 HD22 LEU 35 2HD2 LEU 35 -11.864 -4.242 2.376 288 HD23 LEU 35 3HD2 LEU 35 -12.770 -2.937 3.147 289 H ARG 36 H ARG 36 -11.051 -3.470 6.113 290 HA ARG 36 HA ARG 36 -8.164 -3.810 6.521 291 HB2 ARG 36 1HB ARG 36 -10.386 -4.352 8.488 292 HB3 ARG 36 2HB ARG 36 -8.690 -4.730 8.755 293 HG2 ARG 36 1HG ARG 36 -9.940 -2.009 8.469 294 HG3 ARG 36 2HG ARG 36 -9.160 -2.699 9.897 295 HD2 ARG 36 1HD ARG 36 -7.036 -2.781 8.676 296 HD3 ARG 36 2HD ARG 36 -7.821 -2.057 7.278 297 HE ARG 36 HE ARG 36 -8.211 -0.367 9.469 298 HH11 ARG 36 1HH1 ARG 36 -5.670 -1.551 7.405 299 HH12 ARG 36 2HH1 ARG 36 -4.630 -0.179 7.640 300 HH21 ARG 36 1HH2 ARG 36 -6.876 1.495 9.754 301 HH22 ARG 36 2HH2 ARG 36 -5.343 1.564 8.950 302 H GLU 37 H GLU 37 -7.548 -6.076 7.120 303 HA GLU 37 HA GLU 37 -8.182 -7.707 4.977 304 HB2 GLU 37 1HB GLU 37 -6.137 -7.926 6.295 305 HB3 GLU 37 2HB GLU 37 -7.073 -8.532 7.655 306 HG2 GLU 37 1HG GLU 37 -7.726 -10.475 6.369 307 HG3 GLU 37 2HG GLU 37 -6.851 -9.859 4.968 308 H THR 38 H THR 38 -9.423 -7.852 8.283 309 HA THR 38 HA THR 38 -11.011 -10.142 7.966 310 HB THR 38 HB THR 38 -11.592 -7.798 9.781 311 HG1 THR 38 HG1 THR 38 -9.651 -9.847 9.886 312 HG21 THR 38 1HG2 THR 38 -12.577 -9.502 11.237 313 HG22 THR 38 2HG2 THR 38 -12.200 -10.743 10.042 314 HG23 THR 38 3HG2 THR 38 -13.369 -9.477 9.661 315 H HIS 39 H HIS 39 -11.449 -6.854 6.988 316 HA HIS 39 HA HIS 39 -14.276 -7.052 6.529 317 HB2 HIS 39 1HB HIS 39 -12.266 -5.031 5.510 318 HB3 HIS 39 2HB HIS 39 -14.012 -4.897 5.333 319 HD1 HIS 39 HD1 HIS 39 -12.940 -2.577 6.703 320 HD2 HIS 39 HD2 HIS 39 -13.730 -6.081 8.787 321 HE1 HIS 39 HE1 HIS 39 -13.049 -1.911 9.114 322 HE2 HIS 39 HE2 HIS 39 -13.780 -3.998 10.322 323 H LEU 40 H LEU 40 -11.316 -7.399 4.638 324 HA LEU 40 HA LEU 40 -12.513 -7.816 2.124 325 HB2 LEU 40 1HB LEU 40 -9.918 -8.709 3.330 326 HB3 LEU 40 2HB LEU 40 -10.408 -9.300 1.757 327 HG LEU 40 HG LEU 40 -10.617 -6.849 1.079 328 HD11 LEU 40 1HD1 LEU 40 -9.095 -6.574 3.644 329 HD12 LEU 40 2HD1 LEU 40 -10.625 -5.814 3.212 330 HD13 LEU 40 3HD1 LEU 40 -9.139 -5.350 2.385 331 HD21 LEU 40 1HD2 LEU 40 -7.925 -7.995 1.778 332 HD22 LEU 40 2HD2 LEU 40 -8.212 -6.658 0.664 333 HD23 LEU 40 3HD2 LEU 40 -8.829 -8.267 0.288 334 H ASN 41 H ASN 41 -11.795 -9.977 4.797 335 HA ASN 41 HA ASN 41 -12.641 -12.395 3.729 336 HB2 ASN 41 1HB ASN 41 -12.840 -11.264 6.515 337 HB3 ASN 41 2HB ASN 41 -13.386 -12.892 6.134 338 HD21 ASN 41 1HD2 ASN 41 -11.843 -13.705 7.583 339 HD22 ASN 41 2HD2 ASN 41 -10.173 -13.806 7.152 340 H GLU 42 H GLU 42 -14.502 -9.755 5.123 341 HA GLU 42 HA GLU 42 -17.045 -11.008 4.900 342 HB2 GLU 42 1HB GLU 42 -16.325 -8.079 5.054 343 HB3 GLU 42 2HB GLU 42 -17.929 -8.749 5.301 344 HG2 GLU 42 1HG GLU 42 -17.045 -10.015 7.234 345 HG3 GLU 42 2HG GLU 42 -15.502 -9.192 7.015 346 H LEU 43 H LEU 43 -15.125 -8.913 2.857 347 HA LEU 43 HA LEU 43 -17.197 -8.459 0.919 348 HB2 LEU 43 1HB LEU 43 -14.240 -7.961 0.658 349 HB3 LEU 43 2HB LEU 43 -15.521 -7.224 -0.283 350 HG LEU 43 HG LEU 43 -15.044 -6.790 2.659 351 HD11 LEU 43 1HD1 LEU 43 -13.325 -5.774 1.286 352 HD12 LEU 43 2HD1 LEU 43 -14.374 -4.546 1.998 353 HD13 LEU 43 3HD1 LEU 43 -14.562 -4.990 0.300 354 HD21 LEU 43 1HD2 LEU 43 -17.001 -5.493 0.780 355 HD22 LEU 43 2HD2 LEU 43 -16.731 -5.053 2.467 356 HD23 LEU 43 3HD2 LEU 43 -17.396 -6.636 2.063 357 H ASN 44 H ASN 44 -15.358 -11.065 1.601 358 HA ASN 44 HA ASN 44 -14.908 -13.028 0.573 359 HB2 ASN 44 1HB ASN 44 -17.268 -12.571 -0.349 360 HB3 ASN 44 2HB ASN 44 -16.456 -12.091 -1.833 361 HD21 ASN 44 1HD2 ASN 44 -15.463 -13.655 -3.099 362 HD22 ASN 44 2HD2 ASN 44 -15.718 -15.346 -2.858 363 H ILE 45 H ILE 45 -13.310 -10.562 0.160 364 HA ILE 45 HA ILE 45 -12.041 -11.037 -2.406 365 HB ILE 45 HB ILE 45 -11.184 -9.192 -0.171 366 HG12 ILE 45 1HG1 ILE 45 -12.629 -8.571 -2.754 367 HG13 ILE 45 2HG1 ILE 45 -13.396 -8.643 -1.173 368 HG21 ILE 45 1HG2 ILE 45 -9.326 -9.819 -1.617 369 HG22 ILE 45 2HG2 ILE 45 -9.776 -8.136 -1.890 370 HG23 ILE 45 3HG2 ILE 45 -10.268 -9.378 -3.042 371 HD11 ILE 45 1HD1 ILE 45 -12.932 -6.351 -1.898 372 HD12 ILE 45 2HD1 ILE 45 -11.211 -6.729 -1.952 373 HD13 ILE 45 3HD1 ILE 45 -12.077 -6.770 -0.415 374 H MET 46 H MET 46 -11.555 -13.226 -2.013 375 HA MET 46 HA MET 46 -9.664 -13.812 0.130 376 HB2 MET 46 1HB MET 46 -11.072 -15.701 -1.753 377 HB3 MET 46 2HB MET 46 -10.152 -16.149 -0.326 378 HG2 MET 46 1HG MET 46 -12.522 -14.350 -0.088 379 HG3 MET 46 2HG MET 46 -12.738 -16.088 -0.237 380 HE1 MET 46 1HE MET 46 -10.007 -13.905 1.945 381 HE2 MET 46 2HE MET 46 -11.037 -13.803 3.370 382 HE3 MET 46 3HE MET 46 -11.580 -13.120 1.837 383 H ASP 47 H ASP 47 -8.992 -12.331 -2.296 384 HA ASP 47 HA ASP 47 -7.075 -14.071 -3.636 385 HB2 ASP 47 1HB ASP 47 -7.777 -11.154 -4.001 386 HB3 ASP 47 2HB ASP 47 -6.579 -12.004 -4.964 387 HA PRO 48 HA PRO 48 -4.676 -13.159 0.040 388 HB2 PRO 48 1HB PRO 48 -2.528 -14.420 -1.584 389 HB3 PRO 48 2HB PRO 48 -3.030 -14.748 0.074 390 HG2 PRO 48 1HG PRO 48 -3.728 -16.398 -1.873 391 HG3 PRO 48 2HG PRO 48 -4.868 -15.991 -0.580 392 HD2 PRO 48 1HD PRO 48 -4.778 -15.019 -3.397 393 HD3 PRO 48 2HD PRO 48 -6.178 -15.392 -2.375 394 H GLN 49 H GLN 49 -2.842 -12.765 -3.007 395 HA GLN 49 HA GLN 49 -1.153 -10.754 -1.922 396 HB2 GLN 49 1HB GLN 49 -1.709 -11.693 -4.724 397 HB3 GLN 49 2HB GLN 49 -0.631 -10.344 -4.401 398 HG2 GLN 49 1HG GLN 49 0.857 -11.720 -3.170 399 HG3 GLN 49 2HG GLN 49 -0.278 -13.064 -3.177 400 HE21 GLN 49 1HE2 GLN 49 2.041 -11.255 -5.013 401 HE22 GLN 49 2HE2 GLN 49 2.170 -12.373 -6.324 402 H HIS 50 H HIS 50 -4.118 -10.738 -3.760 403 HA HIS 50 HA HIS 50 -4.144 -7.966 -4.355 404 HB2 HIS 50 1HB HIS 50 -6.388 -9.972 -4.155 405 HB3 HIS 50 2HB HIS 50 -6.577 -8.347 -4.793 406 HD1 HIS 50 HD1 HIS 50 -7.356 -9.765 -7.018 407 HD2 HIS 50 HD2 HIS 50 -3.323 -9.893 -5.995 408 HE1 HIS 50 HE1 HIS 50 -6.157 -10.580 -9.065 409 HE2 HIS 50 HE2 HIS 50 -3.713 -10.491 -8.478 410 H ARG 51 H ARG 51 -5.454 -9.925 -1.759 411 HA ARG 51 HA ARG 51 -6.652 -8.011 -0.156 412 HB2 ARG 51 1HB ARG 51 -5.022 -10.458 0.513 413 HB3 ARG 51 2HB ARG 51 -5.776 -9.475 1.757 414 HG2 ARG 51 1HG ARG 51 -7.934 -10.034 1.034 415 HG3 ARG 51 2HG ARG 51 -7.338 -10.687 -0.494 416 HD2 ARG 51 1HD ARG 51 -8.020 -12.365 1.296 417 HD3 ARG 51 2HD ARG 51 -6.448 -12.591 0.539 418 HE ARG 51 HE ARG 51 -6.107 -11.041 2.848 419 HH11 ARG 51 1HH1 ARG 51 -7.013 -14.305 1.958 420 HH12 ARG 51 2HH1 ARG 51 -6.343 -15.016 3.389 421 HH21 ARG 51 1HH2 ARG 51 -5.212 -11.981 4.739 422 HH22 ARG 51 2HH2 ARG 51 -5.327 -13.701 4.963 423 H ALA 52 H ALA 52 -3.327 -9.165 -0.077 424 HA ALA 52 HA ALA 52 -2.320 -7.556 1.904 425 HB1 ALA 52 1HB ALA 52 -1.251 -9.532 0.804 426 HB2 ALA 52 2HB ALA 52 -0.176 -8.172 1.101 427 HB3 ALA 52 3HB ALA 52 -0.795 -8.463 -0.523 428 H LYS 53 H LYS 53 -2.555 -6.887 -1.566 429 HA LYS 53 HA LYS 53 -1.268 -4.379 -1.507 430 HB2 LYS 53 1HB LYS 53 -3.442 -5.274 -3.399 431 HB3 LYS 53 2HB LYS 53 -2.290 -3.973 -3.670 432 HG2 LYS 53 1HG LYS 53 -0.496 -5.782 -3.391 433 HG3 LYS 53 2HG LYS 53 -1.818 -6.924 -3.630 434 HD2 LYS 53 1HD LYS 53 -0.952 -6.660 -5.770 435 HD3 LYS 53 2HD LYS 53 -2.314 -5.543 -5.759 436 HE2 LYS 53 1HE LYS 53 -0.831 -3.680 -5.327 437 HE3 LYS 53 2HE LYS 53 0.545 -4.779 -5.206 438 HZ1 LYS 53 1HZ LYS 53 0.124 -5.406 -7.546 439 HZ2 LYS 53 2HZ LYS 53 0.540 -3.779 -7.355 440 HZ3 LYS 53 3HZ LYS 53 -1.070 -4.207 -7.629 441 H LEU 54 H LEU 54 -4.720 -5.218 -1.426 442 HA LEU 54 HA LEU 54 -5.775 -2.664 -1.278 443 HB2 LEU 54 1HB LEU 54 -6.757 -5.241 -0.071 444 HB3 LEU 54 2HB LEU 54 -7.706 -3.771 -0.113 445 HG LEU 54 HG LEU 54 -6.653 -5.149 -2.578 446 HD11 LEU 54 1HD1 LEU 54 -8.960 -5.927 -2.898 447 HD12 LEU 54 2HD1 LEU 54 -9.373 -5.306 -1.298 448 HD13 LEU 54 3HD1 LEU 54 -8.207 -6.621 -1.463 449 HD21 LEU 54 1HD2 LEU 54 -8.684 -2.964 -2.172 450 HD22 LEU 54 2HD2 LEU 54 -8.328 -3.750 -3.709 451 HD23 LEU 54 3HD2 LEU 54 -7.085 -2.797 -2.899 452 H LEU 55 H LEU 55 -4.746 -4.777 1.393 453 HA LEU 55 HA LEU 55 -5.513 -2.979 3.433 454 HB2 LEU 55 1HB LEU 55 -3.634 -5.311 3.374 455 HB3 LEU 55 2HB LEU 55 -3.783 -4.312 4.806 456 HG LEU 55 HG LEU 55 -5.341 -5.813 5.398 457 HD11 LEU 55 1HD1 LEU 55 -7.590 -5.224 4.753 458 HD12 LEU 55 2HD1 LEU 55 -6.977 -4.334 3.358 459 HD13 LEU 55 3HD1 LEU 55 -6.613 -3.773 4.991 460 HD21 LEU 55 1HD2 LEU 55 -5.863 -6.438 2.499 461 HD22 LEU 55 2HD2 LEU 55 -6.534 -7.298 3.885 462 HD23 LEU 55 3HD2 LEU 55 -4.798 -7.339 3.577 463 H THR 56 H THR 56 -2.460 -3.448 1.722 464 HA THR 56 HA THR 56 -0.922 -1.659 3.267 465 HB THR 56 HB THR 56 -0.596 -2.315 0.338 466 HG1 THR 56 HG1 THR 56 -0.517 -4.228 1.411 467 HG21 THR 56 1HG2 THR 56 0.740 -0.390 1.094 468 HG22 THR 56 2HG2 THR 56 1.755 -1.783 0.710 469 HG23 THR 56 3HG2 THR 56 1.408 -1.381 2.392 470 H ALA 57 H ALA 57 -2.925 -1.225 0.400 471 HA ALA 57 HA ALA 57 -2.402 1.479 -0.046 472 HB1 ALA 57 1HB ALA 57 -4.864 -0.164 -0.573 473 HB2 ALA 57 2HB ALA 57 -3.560 0.216 -1.698 474 HB3 ALA 57 3HB ALA 57 -4.644 1.490 -1.138 475 H ALA 58 H ALA 58 -4.917 -0.095 1.916 476 HA ALA 58 HA ALA 58 -6.105 2.220 2.929 477 HB1 ALA 58 1HB ALA 58 -5.797 -0.450 4.297 478 HB2 ALA 58 2HB ALA 58 -7.069 -0.020 3.152 479 HB3 ALA 58 3HB ALA 58 -6.970 0.805 4.709 480 H GLU 59 H GLU 59 -3.291 0.411 4.030 481 HA GLU 59 HA GLU 59 -2.820 1.726 6.456 482 HB2 GLU 59 1HB GLU 59 -0.888 0.464 4.506 483 HB3 GLU 59 2HB GLU 59 -0.452 0.980 6.125 484 HG2 GLU 59 1HG GLU 59 -2.574 -1.056 5.534 485 HG3 GLU 59 2HG GLU 59 -0.893 -1.452 5.873 486 H LEU 60 H LEU 60 -1.399 2.360 3.240 487 HA LEU 60 HA LEU 60 0.001 4.650 4.180 488 HB2 LEU 60 1HB LEU 60 -0.375 3.334 1.560 489 HB3 LEU 60 2HB LEU 60 0.071 5.029 1.535 490 HG LEU 60 HG LEU 60 2.058 4.512 2.898 491 HD11 LEU 60 1HD1 LEU 60 1.248 2.557 4.069 492 HD12 LEU 60 2HD1 LEU 60 2.741 2.187 3.204 493 HD13 LEU 60 3HD1 LEU 60 1.188 1.653 2.555 494 HD21 LEU 60 1HD2 LEU 60 2.370 4.630 0.558 495 HD22 LEU 60 2HD2 LEU 60 1.699 3.018 0.325 496 HD23 LEU 60 3HD2 LEU 60 3.258 3.215 1.129 497 H LEU 61 H LEU 61 -3.154 4.204 2.685 498 HA LEU 61 HA LEU 61 -3.610 6.968 2.191 499 HB2 LEU 61 1HB LEU 61 -5.509 4.678 2.661 500 HB3 LEU 61 2HB LEU 61 -6.038 6.297 2.252 501 HG LEU 61 HG LEU 61 -4.292 4.555 0.520 502 HD11 LEU 61 1HD1 LEU 61 -7.208 5.271 0.303 503 HD12 LEU 61 2HD1 LEU 61 -6.543 3.692 0.718 504 HD13 LEU 61 3HD1 LEU 61 -6.274 4.363 -0.885 505 HD21 LEU 61 1HD2 LEU 61 -3.853 6.921 0.181 506 HD22 LEU 61 2HD2 LEU 61 -5.581 7.231 0.003 507 HD23 LEU 61 3HD2 LEU 61 -4.733 6.253 -1.196 508 H LEU 62 H LEU 62 -3.692 4.994 5.000 509 HA LEU 62 HA LEU 62 -5.298 6.719 6.601 510 HB2 LEU 62 1HB LEU 62 -5.007 4.316 7.055 511 HB3 LEU 62 2HB LEU 62 -3.312 4.595 7.401 512 HG LEU 62 HG LEU 62 -3.978 6.035 9.312 513 HD11 LEU 62 1HD1 LEU 62 -6.743 5.037 8.646 514 HD12 LEU 62 2HD1 LEU 62 -6.178 6.704 8.532 515 HD13 LEU 62 3HD1 LEU 62 -6.294 5.918 10.106 516 HD21 LEU 62 1HD2 LEU 62 -4.640 4.194 10.763 517 HD22 LEU 62 2HD2 LEU 62 -3.396 3.681 9.619 518 HD23 LEU 62 3HD2 LEU 62 -5.080 3.232 9.352 519 H ASP 63 H ASP 63 -1.819 6.221 6.169 520 HA ASP 63 HA ASP 63 -1.256 8.366 8.052 521 HB2 ASP 63 1HB ASP 63 0.431 6.329 6.659 522 HB3 ASP 63 2HB ASP 63 1.179 7.761 7.356 523 H TYR 64 H TYR 64 -0.908 7.731 4.604 524 HA TYR 64 HA TYR 64 0.341 10.349 4.223 525 HB2 TYR 64 1HB TYR 64 -0.015 8.009 2.346 526 HB3 TYR 64 2HB TYR 64 0.762 9.525 1.906 527 HD1 TYR 64 HD1 TYR 64 1.073 6.436 3.834 528 HD2 TYR 64 HD2 TYR 64 2.959 10.078 2.741 529 HE1 TYR 64 HE1 TYR 64 3.203 5.579 4.689 530 HE2 TYR 64 HE2 TYR 64 5.101 9.239 3.590 531 HH TYR 64 HH TYR 64 5.919 7.571 5.186 532 H ASP 65 H ASP 65 -2.202 10.665 4.958 533 HA ASP 65 HA ASP 65 -3.976 10.737 2.689 534 HB2 ASP 65 1HB ASP 65 -4.763 10.292 5.012 535 HB3 ASP 65 2HB ASP 65 -4.359 11.953 5.430 536 H THR 66 H THR 66 -1.861 12.065 1.925 537 HA THR 66 HA THR 66 -0.986 14.004 1.141 538 HB THR 66 HB THR 66 -2.710 15.526 0.088 539 HG1 THR 66 HG1 THR 66 -4.344 14.455 1.768 540 HG21 THR 66 1HG2 THR 66 -1.654 13.657 -1.099 541 HG22 THR 66 2HG2 THR 66 -3.326 13.893 -1.610 542 HG23 THR 66 3HG2 THR 66 -2.918 12.579 -0.508 543 H GLY 67 H GLY 67 -1.031 14.127 3.931 544 HA2 GLY 67 1HA GLY 67 -2.207 16.676 4.690 545 HA3 GLY 67 2HA GLY 67 -1.371 15.558 5.753 546 H CYS 68 H CYS 68 -0.194 16.890 2.725 547 HA CYS 68 HA CYS 68 1.638 18.086 2.166 548 HB2 CYS 68 1HB CYS 68 1.096 19.342 4.851 549 HB3 CYS 68 2HB CYS 68 2.277 19.953 3.702 550 H GLU 69 H GLU 69 3.935 18.710 2.909 551 HA GLU 69 HA GLU 69 5.105 16.273 3.950 552 HB2 GLU 69 1HB GLU 69 6.441 18.754 2.847 553 HB3 GLU 69 2HB GLU 69 7.228 17.216 3.179 554 HG2 GLU 69 1HG GLU 69 5.897 16.135 1.471 555 HG3 GLU 69 2HG GLU 69 5.034 17.640 1.163 556 H1 GLY 1 1H GLY 1 3.293 7.934 12.063 557 H2 GLY 1 2H GLY 1 3.004 6.613 11.053 558 H3 GLY 1 3H GLY 1 1.741 7.672 11.437 559 HA2 GLY 1 2HA GLY 1 2.474 8.142 9.221 560 HA3 GLY 1 1HA GLY 1 2.907 9.475 10.282 561 HA PRO 2 HA PRO 2 6.823 6.724 9.280 562 HB2 PRO 2 1HB PRO 2 6.237 6.037 6.485 563 HB3 PRO 2 2HB PRO 2 6.846 5.017 7.791 564 HG2 PRO 2 1HG PRO 2 4.348 4.750 6.871 565 HG3 PRO 2 2HG PRO 2 4.733 4.543 8.590 566 HD2 PRO 2 1HD PRO 2 3.530 6.905 7.193 567 HD3 PRO 2 2HD PRO 2 3.080 6.168 8.747 568 H LYS 3 H LYS 3 8.251 8.270 9.134 569 HA LYS 3 HA LYS 3 8.267 10.045 6.813 570 HB2 LYS 3 1HB LYS 3 9.951 10.143 9.317 571 HB3 LYS 3 2HB LYS 3 9.853 11.384 8.079 572 HG2 LYS 3 1HG LYS 3 7.568 10.504 9.827 573 HG3 LYS 3 2HG LYS 3 8.565 11.931 10.102 574 HD2 LYS 3 1HD LYS 3 6.930 11.449 7.613 575 HD3 LYS 3 2HD LYS 3 6.385 12.406 8.990 576 HE2 LYS 3 1HE LYS 3 8.820 12.967 7.304 577 HE3 LYS 3 2HE LYS 3 7.281 13.818 7.202 578 HZ1 LYS 3 1HZ LYS 3 8.800 15.093 8.508 579 HZ2 LYS 3 2HZ LYS 3 9.137 13.780 9.517 580 HZ3 LYS 3 3HZ LYS 3 7.604 14.489 9.539 581 H THR 4 H THR 4 9.684 7.237 8.011 582 HA THR 4 HA THR 4 11.920 7.507 6.140 583 HB THR 4 HB THR 4 13.270 6.098 7.691 584 HG1 THR 4 HG1 THR 4 12.464 6.148 9.934 585 HG21 THR 4 1HG2 THR 4 13.615 8.495 7.631 586 HG22 THR 4 2HG2 THR 4 13.772 7.905 9.287 587 HG23 THR 4 3HG2 THR 4 12.298 8.732 8.780 588 H LEU 5 H LEU 5 12.933 5.307 5.712 589 HA LEU 5 HA LEU 5 11.034 3.754 4.366 590 HB2 LEU 5 1HB LEU 5 13.492 4.069 3.857 591 HB3 LEU 5 2HB LEU 5 13.829 2.922 5.133 592 HG LEU 5 HG LEU 5 13.798 2.146 2.660 593 HD11 LEU 5 1HD1 LEU 5 12.952 -0.076 3.340 594 HD12 LEU 5 2HD1 LEU 5 12.404 0.638 4.858 595 HD13 LEU 5 3HD1 LEU 5 14.124 0.610 4.466 596 HD21 LEU 5 1HD2 LEU 5 10.860 2.059 3.308 597 HD22 LEU 5 2HD2 LEU 5 11.634 1.359 1.886 598 HD23 LEU 5 3HD2 LEU 5 11.626 3.108 2.115 599 H HIS 6 H HIS 6 12.952 3.004 7.269 600 HA HIS 6 HA HIS 6 11.897 0.483 7.787 601 HB2 HIS 6 1HB HIS 6 13.886 1.437 8.901 602 HB3 HIS 6 2HB HIS 6 12.844 2.528 9.798 603 HD1 HIS 6 HD1 HIS 6 13.624 1.545 12.055 604 HD2 HIS 6 HD2 HIS 6 11.818 -1.234 9.548 605 HE1 HIS 6 HE1 HIS 6 13.184 -0.472 13.483 606 HE2 HIS 6 HE2 HIS 6 12.214 -2.190 11.920 607 H GLU 7 H GLU 7 10.756 3.657 8.815 608 HA GLU 7 HA GLU 7 8.696 2.841 10.517 609 HB2 GLU 7 1HB GLU 7 9.044 5.272 8.782 610 HB3 GLU 7 2HB GLU 7 7.651 5.063 9.832 611 HG2 GLU 7 1HG GLU 7 10.432 4.880 10.901 612 HG3 GLU 7 2HG GLU 7 9.638 6.435 10.674 613 H LEU 8 H LEU 8 8.768 3.372 7.032 614 HA LEU 8 HA LEU 8 5.998 2.986 6.606 615 HB2 LEU 8 1HB LEU 8 7.666 4.128 5.092 616 HB3 LEU 8 2HB LEU 8 8.222 2.535 4.626 617 HG LEU 8 HG LEU 8 6.568 3.751 3.094 618 HD11 LEU 8 1HD1 LEU 8 5.364 1.631 2.580 619 HD12 LEU 8 2HD1 LEU 8 6.111 0.933 4.017 620 HD13 LEU 8 3HD1 LEU 8 7.118 1.481 2.676 621 HD21 LEU 8 1HD2 LEU 8 4.235 3.534 3.601 622 HD22 LEU 8 2HD2 LEU 8 5.031 4.426 4.898 623 HD23 LEU 8 3HD2 LEU 8 4.605 2.730 5.126 624 H LEU 9 H LEU 9 8.800 0.841 6.387 625 HA LEU 9 HA LEU 9 7.441 -1.440 5.501 626 HB2 LEU 9 1HB LEU 9 9.991 -0.972 6.974 627 HB3 LEU 9 2HB LEU 9 9.374 -2.605 6.859 628 HG LEU 9 HG LEU 9 11.071 -2.023 5.128 629 HD11 LEU 9 1HD1 LEU 9 9.521 -3.845 4.772 630 HD12 LEU 9 2HD1 LEU 9 9.830 -2.996 3.256 631 HD13 LEU 9 3HD1 LEU 9 8.321 -2.723 4.131 632 HD21 LEU 9 1HD2 LEU 9 10.375 0.303 4.765 633 HD22 LEU 9 2HD2 LEU 9 8.889 -0.275 4.013 634 HD23 LEU 9 3HD2 LEU 9 10.449 -0.621 3.265 635 H GLU 10 H GLU 10 8.036 -0.244 8.783 636 HA GLU 10 HA GLU 10 6.780 -2.441 10.070 637 HB2 GLU 10 1HB GLU 10 7.262 0.383 11.025 638 HB3 GLU 10 2HB GLU 10 6.672 -0.921 12.047 639 HG2 GLU 10 1HG GLU 10 8.745 -2.182 11.517 640 HG3 GLU 10 2HG GLU 10 9.337 -0.754 10.670 641 H ARG 11 H ARG 11 5.615 0.513 8.655 642 HA ARG 11 HA ARG 11 3.067 0.614 9.858 643 HB2 ARG 11 1HB ARG 11 4.439 2.291 8.308 644 HB3 ARG 11 2HB ARG 11 3.468 1.541 7.053 645 HG2 ARG 11 1HG ARG 11 2.286 2.810 9.504 646 HG3 ARG 11 2HG ARG 11 2.601 3.691 8.014 647 HD2 ARG 11 1HD ARG 11 0.419 3.124 7.677 648 HD3 ARG 11 2HD ARG 11 1.215 1.729 6.955 649 HE ARG 11 HE ARG 11 0.494 0.401 8.716 650 HH11 ARG 11 1HH1 ARG 11 -0.347 3.768 9.294 651 HH12 ARG 11 2HH1 ARG 11 -1.506 3.383 10.533 652 HH21 ARG 11 1HH2 ARG 11 -1.043 -0.085 10.323 653 HH22 ARG 11 2HH2 ARG 11 -1.899 1.198 11.118 654 H ILE 12 H ILE 12 4.211 -0.778 6.801 655 HA ILE 12 HA ILE 12 1.583 -1.846 6.237 656 HB ILE 12 HB ILE 12 2.560 -2.665 4.152 657 HG12 ILE 12 1HG1 ILE 12 5.134 -1.426 5.159 658 HG13 ILE 12 2HG1 ILE 12 4.837 -3.153 5.001 659 HG21 ILE 12 1HG2 ILE 12 1.661 -0.422 4.269 660 HG22 ILE 12 2HG2 ILE 12 3.068 -0.453 3.202 661 HG23 ILE 12 3HG2 ILE 12 3.215 0.194 4.837 662 HD11 ILE 12 1HD1 ILE 12 4.561 -2.877 2.583 663 HD12 ILE 12 2HD1 ILE 12 6.146 -2.334 3.141 664 HD13 ILE 12 3HD1 ILE 12 4.894 -1.152 2.756 665 H GLY 13 H GLY 13 4.430 -2.913 7.781 666 HA2 GLY 13 1HA GLY 13 4.422 -4.796 9.188 667 HA3 GLY 13 2HA GLY 13 3.113 -5.476 8.238 668 H LEU 14 H LEU 14 6.065 -4.185 6.875 669 HA LEU 14 HA LEU 14 6.943 -6.931 6.309 670 HB2 LEU 14 1HB LEU 14 6.925 -4.542 4.498 671 HB3 LEU 14 2HB LEU 14 8.048 -5.862 4.244 672 HG LEU 14 HG LEU 14 6.302 -6.367 2.810 673 HD11 LEU 14 1HD1 LEU 14 5.242 -8.335 3.687 674 HD12 LEU 14 2HD1 LEU 14 5.582 -7.821 5.337 675 HD13 LEU 14 3HD1 LEU 14 6.909 -8.251 4.258 676 HD21 LEU 14 1HD2 LEU 14 4.724 -4.693 3.539 677 HD22 LEU 14 2HD2 LEU 14 4.368 -5.632 4.989 678 HD23 LEU 14 3HD2 LEU 14 3.945 -6.264 3.400 679 H GLU 15 H GLU 15 7.626 -5.246 8.517 680 HA GLU 15 HA GLU 15 10.113 -4.008 8.204 681 HB2 GLU 15 1HB GLU 15 10.351 -4.315 10.653 682 HB3 GLU 15 2HB GLU 15 8.808 -3.622 10.178 683 HG2 GLU 15 1HG GLU 15 7.733 -5.781 10.460 684 HG3 GLU 15 2HG GLU 15 9.280 -6.504 10.897 685 H GLU 16 H GLU 16 9.233 -7.310 8.227 686 HA GLU 16 HA GLU 16 11.636 -8.552 8.937 687 HB2 GLU 16 1HB GLU 16 10.831 -10.458 7.608 688 HB3 GLU 16 2HB GLU 16 9.558 -9.800 8.624 689 HG2 GLU 16 1HG GLU 16 8.589 -8.655 6.729 690 HG3 GLU 16 2HG GLU 16 9.910 -9.195 5.698 691 H HIS 17 H HIS 17 10.793 -6.704 6.157 692 HA HIS 17 HA HIS 17 13.182 -7.695 4.753 693 HB2 HIS 17 1HB HIS 17 10.553 -6.701 3.710 694 HB3 HIS 17 2HB HIS 17 11.991 -6.663 2.703 695 HD1 HIS 17 HD1 HIS 17 13.275 -9.236 2.834 696 HD2 HIS 17 HD2 HIS 17 9.140 -8.939 3.237 697 HE1 HIS 17 HE1 HIS 17 12.371 -11.508 2.258 698 HE2 HIS 17 HE2 HIS 17 9.892 -11.362 2.655 699 H THR 18 H THR 18 12.455 -5.259 6.685 700 HA THR 18 HA THR 18 12.930 -2.913 5.270 701 HB THR 18 HB THR 18 13.997 -3.404 8.037 702 HG1 THR 18 HG1 THR 18 11.966 -3.813 8.493 703 HG21 THR 18 1HG2 THR 18 14.672 -1.318 6.968 704 HG22 THR 18 2HG2 THR 18 13.567 -1.011 8.309 705 HG23 THR 18 3HG2 THR 18 12.981 -0.933 6.645 706 H SER 19 H SER 19 15.253 -5.095 6.830 707 HA SER 19 HA SER 19 17.562 -3.654 6.155 708 HB2 SER 19 1HB SER 19 17.403 -5.515 7.837 709 HB3 SER 19 2HB SER 19 17.358 -6.648 6.490 710 HG SER 19 HG SER 19 19.435 -6.464 6.316 711 H THR 20 H THR 20 15.678 -6.050 4.404 712 HA THR 20 HA THR 20 17.429 -6.597 2.305 713 HB THR 20 HB THR 20 14.427 -6.336 2.075 714 HG1 THR 20 HG1 THR 20 16.011 -8.552 2.941 715 HG21 THR 20 1HG2 THR 20 16.440 -7.982 0.543 716 HG22 THR 20 2HG2 THR 20 15.560 -6.577 -0.060 717 HG23 THR 20 3HG2 THR 20 14.690 -8.060 0.335 718 H LEU 21 H LEU 21 14.822 -4.175 2.461 719 HA LEU 21 HA LEU 21 15.452 -2.901 0.037 720 HB2 LEU 21 1HB LEU 21 14.002 -1.998 2.514 721 HB3 LEU 21 2HB LEU 21 14.256 -0.909 1.172 722 HG LEU 21 HG LEU 21 12.139 -1.658 0.729 723 HD11 LEU 21 1HD1 LEU 21 12.196 -3.248 -1.093 724 HD12 LEU 21 2HD1 LEU 21 13.813 -3.761 -0.615 725 HD13 LEU 21 3HD1 LEU 21 13.548 -2.119 -1.206 726 HD21 LEU 21 1HD2 LEU 21 12.916 -4.405 1.678 727 HD22 LEU 21 2HD2 LEU 21 11.319 -3.919 1.111 728 HD23 LEU 21 3HD2 LEU 21 11.984 -3.214 2.586 729 H LEU 22 H LEU 22 16.312 -2.157 3.370 730 HA LEU 22 HA LEU 22 17.636 0.237 3.015 731 HB2 LEU 22 1HB LEU 22 16.942 -0.946 5.153 732 HB3 LEU 22 2HB LEU 22 18.417 -1.879 5.002 733 HG LEU 22 HG LEU 22 19.708 0.252 5.092 734 HD11 LEU 22 1HD1 LEU 22 17.955 1.768 4.354 735 HD12 LEU 22 2HD1 LEU 22 18.572 2.248 5.935 736 HD13 LEU 22 3HD1 LEU 22 17.022 1.415 5.808 737 HD21 LEU 22 1HD2 LEU 22 17.908 -0.334 7.438 738 HD22 LEU 22 2HD2 LEU 22 19.441 0.536 7.502 739 HD23 LEU 22 3HD2 LEU 22 19.411 -1.170 7.053 740 H LEU 23 H LEU 23 18.981 -3.050 2.896 741 HA LEU 23 HA LEU 23 21.671 -2.146 2.569 742 HB2 LEU 23 1HB LEU 23 20.458 -4.856 2.068 743 HB3 LEU 23 2HB LEU 23 22.174 -4.509 2.126 744 HG LEU 23 HG LEU 23 20.215 -4.347 4.412 745 HD11 LEU 23 1HD1 LEU 23 20.890 -6.600 3.838 746 HD12 LEU 23 2HD1 LEU 23 21.616 -6.110 5.369 747 HD13 LEU 23 3HD1 LEU 23 22.589 -6.130 3.897 748 HD21 LEU 23 1HD2 LEU 23 23.145 -3.640 4.345 749 HD22 LEU 23 2HD2 LEU 23 22.159 -3.771 5.800 750 HD23 LEU 23 3HD2 LEU 23 21.803 -2.528 4.602 751 H ASN 24 H ASN 24 19.058 -2.892 0.420 752 HA ASN 24 HA ASN 24 20.871 -3.102 -1.845 753 HB2 ASN 24 1HB ASN 24 17.956 -3.682 -1.473 754 HB3 ASN 24 2HB ASN 24 18.643 -3.539 -3.086 755 HD21 ASN 24 1HD2 ASN 24 18.423 -5.443 -0.230 756 HD22 ASN 24 2HD2 ASN 24 19.288 -6.823 -0.818 757 H GLY 25 H GLY 25 19.795 -0.604 -0.237 758 HA2 GLY 25 1HA GLY 25 20.472 1.532 -1.114 759 HA3 GLY 25 2HA GLY 25 19.888 1.024 -2.689 760 H TYR 26 H TYR 26 17.525 -0.097 -0.954 761 HA TYR 26 HA TYR 26 15.868 2.237 -1.374 762 HB2 TYR 26 1HB TYR 26 15.222 -0.535 -0.371 763 HB3 TYR 26 2HB TYR 26 14.025 0.713 -0.696 764 HD1 TYR 26 HD1 TYR 26 13.837 1.583 -3.069 765 HD2 TYR 26 HD2 TYR 26 16.002 -1.935 -2.063 766 HE1 TYR 26 HE1 TYR 26 13.723 0.852 -5.412 767 HE2 TYR 26 HE2 TYR 26 15.900 -2.675 -4.402 768 HH TYR 26 HH TYR 26 15.083 -0.667 -6.928 769 H GLN 27 H GLN 27 17.149 3.414 0.244 770 HA GLN 27 HA GLN 27 16.666 2.629 3.019 771 HB2 GLN 27 1HB GLN 27 18.428 4.837 1.968 772 HB3 GLN 27 2HB GLN 27 18.432 4.153 3.587 773 HG2 GLN 27 1HG GLN 27 19.106 1.981 2.581 774 HG3 GLN 27 2HG GLN 27 19.268 2.812 1.038 775 HE21 GLN 27 1HE2 GLN 27 21.244 1.426 2.639 776 HE22 GLN 27 2HE2 GLN 27 22.497 2.576 2.961 777 H THR 28 H THR 28 15.405 4.617 0.675 778 HA THR 28 HA THR 28 14.153 6.325 2.703 779 HB THR 28 HB THR 28 14.195 8.200 1.097 780 HG1 THR 28 HG1 THR 28 16.044 7.633 -0.589 781 HG21 THR 28 1HG2 THR 28 16.581 8.736 1.299 782 HG22 THR 28 2HG2 THR 28 16.923 7.051 1.700 783 HG23 THR 28 3HG2 THR 28 15.951 8.038 2.790 784 H LEU 29 H LEU 29 12.076 7.150 2.093 785 HA LEU 29 HA LEU 29 10.415 5.330 0.710 786 HB2 LEU 29 1HB LEU 29 9.905 8.229 1.393 787 HB3 LEU 29 2HB LEU 29 8.684 7.032 0.994 788 HG LEU 29 HG LEU 29 10.470 6.978 3.427 789 HD11 LEU 29 1HD1 LEU 29 7.528 7.572 3.154 790 HD12 LEU 29 2HD1 LEU 29 8.794 8.731 3.557 791 HD13 LEU 29 3HD1 LEU 29 8.412 7.419 4.672 792 HD21 LEU 29 1HD2 LEU 29 8.195 5.167 2.642 793 HD22 LEU 29 2HD2 LEU 29 9.122 5.096 4.142 794 HD23 LEU 29 3HD2 LEU 29 9.907 4.746 2.603 795 H GLU 30 H GLU 30 12.247 8.095 -0.191 796 HA GLU 30 HA GLU 30 11.115 8.666 -2.703 797 HB2 GLU 30 1HB GLU 30 13.946 9.045 -1.712 798 HB3 GLU 30 2HB GLU 30 13.273 9.786 -3.157 799 HG2 GLU 30 1HG GLU 30 11.739 11.079 -1.857 800 HG3 GLU 30 2HG GLU 30 12.204 10.229 -0.384 801 H ASP 31 H ASP 31 13.516 6.337 -1.629 802 HA ASP 31 HA ASP 31 14.088 5.518 -4.357 803 HB2 ASP 31 1HB ASP 31 15.716 5.578 -2.270 804 HB3 ASP 31 2HB ASP 31 15.035 3.984 -1.970 805 H PHE 32 H PHE 32 12.336 4.431 -1.536 806 HA PHE 32 HA PHE 32 11.784 1.808 -2.378 807 HB2 PHE 32 1HB PHE 32 11.559 2.602 -0.048 808 HB3 PHE 32 2HB PHE 32 10.156 3.551 -0.525 809 HD1 PHE 32 HD1 PHE 32 11.422 0.193 0.167 810 HD2 PHE 32 HD2 PHE 32 8.055 2.478 -1.051 811 HE1 PHE 32 HE1 PHE 32 9.960 -1.739 0.594 812 HE2 PHE 32 HE2 PHE 32 6.586 0.559 -0.622 813 HZ PHE 32 HZ PHE 32 7.536 -1.553 0.203 814 H LYS 33 H LYS 33 10.216 4.856 -3.137 815 HA LYS 33 HA LYS 33 7.851 3.702 -4.195 816 HB2 LYS 33 1HB LYS 33 7.533 5.884 -5.319 817 HB3 LYS 33 2HB LYS 33 7.866 6.030 -3.600 818 HG2 LYS 33 1HG LYS 33 10.190 6.579 -4.094 819 HG3 LYS 33 2HG LYS 33 9.849 6.440 -5.820 820 HD2 LYS 33 1HD LYS 33 9.839 8.771 -5.117 821 HD3 LYS 33 2HD LYS 33 8.233 8.268 -5.646 822 HE2 LYS 33 1HE LYS 33 7.509 8.034 -3.355 823 HE3 LYS 33 2HE LYS 33 9.133 8.386 -2.769 824 HZ1 LYS 33 1HZ LYS 33 8.957 10.597 -3.706 825 HZ2 LYS 33 2HZ LYS 33 7.685 10.322 -2.623 826 HZ3 LYS 33 3HZ LYS 33 7.409 10.259 -4.294 827 H GLU 34 H GLU 34 11.019 3.612 -5.256 828 HA GLU 34 HA GLU 34 10.261 3.111 -8.043 829 HB2 GLU 34 1HB GLU 34 13.020 3.218 -6.819 830 HB3 GLU 34 2HB GLU 34 12.636 3.163 -8.532 831 HG2 GLU 34 1HG GLU 34 11.503 5.362 -8.278 832 HG3 GLU 34 2HG GLU 34 12.092 5.411 -6.618 833 H LEU 35 H LEU 35 10.425 1.534 -5.218 834 HA LEU 35 HA LEU 35 11.793 -0.865 -5.946 835 HB2 LEU 35 1HB LEU 35 11.610 -0.087 -3.641 836 HB3 LEU 35 2HB LEU 35 9.870 -0.192 -3.715 837 HG LEU 35 HG LEU 35 11.260 -1.992 -2.467 838 HD11 LEU 35 1HD1 LEU 35 9.074 -2.834 -4.350 839 HD12 LEU 35 2HD1 LEU 35 8.816 -1.962 -2.838 840 HD13 LEU 35 3HD1 LEU 35 9.512 -3.583 -2.812 841 HD21 LEU 35 1HD2 LEU 35 11.396 -3.025 -5.292 842 HD22 LEU 35 2HD2 LEU 35 11.815 -3.931 -3.838 843 HD23 LEU 35 3HD2 LEU 35 12.767 -2.521 -4.303 844 H ARG 36 H ARG 36 11.046 -2.321 -7.308 845 HA ARG 36 HA ARG 36 8.152 -2.468 -7.771 846 HB2 ARG 36 1HB ARG 36 10.365 -2.634 -9.813 847 HB3 ARG 36 2HB ARG 36 8.660 -2.888 -10.154 848 HG2 ARG 36 1HG ARG 36 9.996 -0.341 -9.276 849 HG3 ARG 36 2HG ARG 36 9.202 -0.674 -10.820 850 HD2 ARG 36 1HD ARG 36 7.067 -0.948 -9.646 851 HD3 ARG 36 2HD ARG 36 7.868 -0.585 -8.122 852 HE ARG 36 HE ARG 36 8.334 1.540 -9.875 853 HH11 ARG 36 1HH1 ARG 36 5.739 0.012 -8.124 854 HH12 ARG 36 2HH1 ARG 36 4.743 1.437 -8.056 855 HH21 ARG 36 1HH2 ARG 36 7.066 3.465 -9.734 856 HH22 ARG 36 2HH2 ARG 36 5.527 3.404 -8.943 857 H GLU 37 H GLU 37 7.468 -4.521 -8.862 858 HA GLU 37 HA GLU 37 8.032 -6.609 -7.135 859 HB2 GLU 37 1HB GLU 37 5.987 -6.462 -8.460 860 HB3 GLU 37 2HB GLU 37 6.909 -6.777 -9.925 861 HG2 GLU 37 1HG GLU 37 7.497 -8.980 -9.108 862 HG3 GLU 37 2HG GLU 37 6.631 -8.664 -7.603 863 H THR 38 H THR 38 9.292 -6.049 -10.388 864 HA THR 38 HA THR 38 10.796 -8.411 -10.595 865 HB THR 38 HB THR 38 11.462 -5.743 -11.845 866 HG1 THR 38 HG1 THR 38 9.479 -7.676 -12.428 867 HG21 THR 38 1HG2 THR 38 12.397 -7.112 -13.648 868 HG22 THR 38 2HG2 THR 38 11.973 -8.575 -12.759 869 HG23 THR 38 3HG2 THR 38 13.180 -7.468 -12.108 870 H HIS 39 H HIS 39 11.340 -5.436 -8.915 871 HA HIS 39 HA HIS 39 14.157 -5.833 -8.518 872 HB2 HIS 39 1HB HIS 39 12.219 -4.015 -7.069 873 HB3 HIS 39 2HB HIS 39 13.970 -3.986 -6.880 874 HD1 HIS 39 HD1 HIS 39 12.966 -1.386 -7.694 875 HD2 HIS 39 HD2 HIS 39 13.665 -4.360 -10.508 876 HE1 HIS 39 HE1 HIS 39 13.103 -0.204 -9.896 877 HE2 HIS 39 HE2 HIS 39 13.752 -1.989 -11.548 878 H LEU 40 H LEU 40 11.173 -6.494 -6.749 879 HA LEU 40 HA LEU 40 12.342 -7.493 -4.389 880 HB2 LEU 40 1HB LEU 40 9.727 -8.010 -5.758 881 HB3 LEU 40 2HB LEU 40 10.190 -8.951 -4.356 882 HG LEU 40 HG LEU 40 10.477 -6.721 -3.153 883 HD11 LEU 40 1HD1 LEU 40 8.977 -5.830 -5.587 884 HD12 LEU 40 2HD1 LEU 40 10.530 -5.237 -4.999 885 HD13 LEU 40 3HD1 LEU 40 9.057 -4.918 -4.085 886 HD21 LEU 40 1HD2 LEU 40 7.752 -7.591 -4.080 887 HD22 LEU 40 2HD2 LEU 40 8.077 -6.544 -2.699 888 HD23 LEU 40 3HD2 LEU 40 8.638 -8.216 -2.689 889 H ASN 41 H ASN 41 11.572 -8.979 -7.473 890 HA ASN 41 HA ASN 41 12.332 -11.600 -6.972 891 HB2 ASN 41 1HB ASN 41 12.581 -9.883 -9.436 892 HB3 ASN 41 2HB ASN 41 13.074 -11.571 -9.431 893 HD21 ASN 41 1HD2 ASN 41 11.506 -11.988 -11.020 894 HD22 ASN 41 2HD2 ASN 41 9.832 -12.130 -10.609 895 H GLU 42 H GLU 42 14.290 -8.785 -7.761 896 HA GLU 42 HA GLU 42 16.788 -10.136 -7.808 897 HB2 GLU 42 1HB GLU 42 16.166 -7.222 -7.312 898 HB3 GLU 42 2HB GLU 42 17.747 -7.875 -7.708 899 HG2 GLU 42 1HG GLU 42 16.830 -8.651 -9.869 900 HG3 GLU 42 2HG GLU 42 15.313 -7.854 -9.466 901 H LEU 43 H LEU 43 14.920 -8.482 -5.353 902 HA LEU 43 HA LEU 43 16.997 -8.541 -3.368 903 HB2 LEU 43 1HB LEU 43 14.057 -8.015 -2.994 904 HB3 LEU 43 2HB LEU 43 15.358 -7.549 -1.918 905 HG LEU 43 HG LEU 43 14.909 -6.459 -4.688 906 HD11 LEU 43 1HD1 LEU 43 13.219 -5.716 -3.119 907 HD12 LEU 43 2HD1 LEU 43 14.309 -4.398 -3.548 908 HD13 LEU 43 3HD1 LEU 43 14.477 -5.208 -1.990 909 HD21 LEU 43 1HD2 LEU 43 16.899 -5.671 -2.574 910 HD22 LEU 43 2HD2 LEU 43 16.651 -4.866 -4.125 911 HD23 LEU 43 3HD2 LEU 43 17.263 -6.519 -4.077 912 H ASN 44 H ASN 44 15.073 -10.870 -4.608 913 HA ASN 44 HA ASN 44 14.553 -12.996 -4.033 914 HB2 ASN 44 1HB ASN 44 16.928 -12.831 -3.048 915 HB3 ASN 44 2HB ASN 44 16.128 -12.668 -1.491 916 HD21 ASN 44 1HD2 ASN 44 15.092 -14.444 -0.595 917 HD22 ASN 44 2HD2 ASN 44 15.285 -16.045 -1.216 918 H ILE 45 H ILE 45 13.033 -10.637 -3.090 919 HA ILE 45 HA ILE 45 11.744 -11.623 -0.683 920 HB ILE 45 HB ILE 45 10.958 -9.300 -2.453 921 HG12 ILE 45 1HG1 ILE 45 12.412 -9.317 0.199 922 HG13 ILE 45 2HG1 ILE 45 13.181 -9.062 -1.363 923 HG21 ILE 45 1HG2 ILE 45 9.073 -10.169 -1.178 924 HG22 ILE 45 2HG2 ILE 45 9.578 -8.605 -0.537 925 HG23 ILE 45 3HG2 ILE 45 10.020 -10.089 0.307 926 HD11 ILE 45 1HD1 ILE 45 12.791 -6.976 -0.139 927 HD12 ILE 45 2HD1 ILE 45 11.057 -7.297 -0.171 928 HD13 ILE 45 3HD1 ILE 45 11.933 -7.024 -1.678 929 H MET 46 H MET 46 11.187 -13.658 -1.555 930 HA MET 46 HA MET 46 9.288 -13.684 -3.770 931 HB2 MET 46 1HB MET 46 10.618 -15.999 -2.362 932 HB3 MET 46 2HB MET 46 9.693 -16.077 -3.853 933 HG2 MET 46 1HG MET 46 12.126 -14.357 -3.683 934 HG3 MET 46 2HG MET 46 12.281 -16.092 -3.927 935 HE1 MET 46 1HE MET 46 9.639 -13.379 -5.555 936 HE2 MET 46 2HE MET 46 10.680 -12.997 -6.924 937 HE3 MET 46 3HE MET 46 11.239 -12.696 -5.278 938 H ASP 47 H ASP 47 8.658 -12.763 -1.070 939 HA ASP 47 HA ASP 47 6.673 -14.687 -0.146 940 HB2 ASP 47 1HB ASP 47 7.451 -11.941 0.846 941 HB3 ASP 47 2HB ASP 47 6.235 -12.955 1.606 942 HA PRO 48 HA PRO 48 4.324 -12.898 -3.527 943 HB2 PRO 48 1HB PRO 48 2.128 -14.415 -2.217 944 HB3 PRO 48 2HB PRO 48 2.626 -14.384 -3.909 945 HG2 PRO 48 1HG PRO 48 3.258 -16.445 -2.378 946 HG3 PRO 48 2HG PRO 48 4.418 -15.803 -3.552 947 HD2 PRO 48 1HD PRO 48 4.343 -15.477 -0.590 948 HD3 PRO 48 2HD PRO 48 5.737 -15.664 -1.671 949 H GLN 49 H GLN 49 2.496 -13.131 -0.461 950 HA GLN 49 HA GLN 49 0.873 -10.877 -1.070 951 HB2 GLN 49 1HB GLN 49 1.385 -12.431 1.452 952 HB3 GLN 49 2HB GLN 49 0.354 -11.011 1.439 953 HG2 GLN 49 1HG GLN 49 -1.174 -12.030 -0.060 954 HG3 GLN 49 2HG GLN 49 -0.082 -13.377 -0.355 955 HE21 GLN 49 1HE2 GLN 49 -2.344 -11.944 1.852 956 HE22 GLN 49 2HE2 GLN 49 -2.526 -13.328 2.872 957 H HIS 50 H HIS 50 3.825 -11.367 0.719 958 HA HIS 50 HA HIS 50 3.942 -8.798 1.915 959 HB2 HIS 50 1HB HIS 50 6.118 -10.782 1.271 960 HB3 HIS 50 2HB HIS 50 6.356 -9.346 2.253 961 HD1 HIS 50 HD1 HIS 50 7.079 -11.249 4.104 962 HD2 HIS 50 HD2 HIS 50 3.047 -11.012 3.092 963 HE1 HIS 50 HE1 HIS 50 5.845 -12.456 5.924 964 HE2 HIS 50 HE2 HIS 50 3.409 -12.176 5.372 965 H ARG 51 H ARG 51 5.202 -10.174 -1.054 966 HA ARG 51 HA ARG 51 6.469 -7.993 -2.196 967 HB2 ARG 51 1HB ARG 51 4.763 -10.178 -3.388 968 HB3 ARG 51 2HB ARG 51 5.554 -8.969 -4.385 969 HG2 ARG 51 1HG ARG 51 7.691 -9.744 -3.809 970 HG3 ARG 51 2HG ARG 51 7.067 -10.698 -2.461 971 HD2 ARG 51 1HD ARG 51 7.700 -11.961 -4.581 972 HD3 ARG 51 2HD ARG 51 6.119 -12.296 -3.887 973 HE ARG 51 HE ARG 51 5.838 -10.261 -5.794 974 HH11 ARG 51 1HH1 ARG 51 6.624 -13.671 -5.657 975 HH12 ARG 51 2HH1 ARG 51 5.942 -14.018 -7.213 976 HH21 ARG 51 1HH2 ARG 51 4.914 -10.729 -7.844 977 HH22 ARG 51 2HH2 ARG 51 4.976 -12.361 -8.444 978 H ALA 52 H ALA 52 3.107 -8.990 -2.516 979 HA ALA 52 HA ALA 52 2.166 -6.948 -4.093 980 HB1 ALA 52 1HB ALA 52 1.025 -9.084 -3.455 981 HB2 ALA 52 2HB ALA 52 -0.003 -7.656 -3.445 982 HB3 ALA 52 3HB ALA 52 0.596 -8.318 -1.926 983 H LYS 53 H LYS 53 2.405 -7.076 -0.560 984 HA LYS 53 HA LYS 53 1.202 -4.577 -0.059 985 HB2 LYS 53 1HB LYS 53 3.336 -5.939 1.582 986 HB3 LYS 53 2HB LYS 53 2.225 -4.694 2.138 987 HG2 LYS 53 1HG LYS 53 0.374 -6.336 1.468 988 HG3 LYS 53 2HG LYS 53 1.656 -7.546 1.445 989 HD2 LYS 53 1HD LYS 53 0.786 -7.736 3.591 990 HD3 LYS 53 2HD LYS 53 2.185 -6.689 3.825 991 HE2 LYS 53 1HE LYS 53 0.764 -4.729 3.818 992 HE3 LYS 53 2HE LYS 53 -0.647 -5.732 3.472 993 HZ1 LYS 53 1HZ LYS 53 -0.244 -6.865 5.614 994 HZ2 LYS 53 2HZ LYS 53 -0.597 -5.223 5.794 995 HZ3 LYS 53 3HZ LYS 53 0.998 -5.764 5.943 996 H LEU 54 H LEU 54 4.624 -5.489 -0.330 997 HA LEU 54 HA LEU 54 5.762 -3.004 0.090 998 HB2 LEU 54 1HB LEU 54 6.667 -5.279 -1.661 999 HB3 LEU 54 2HB LEU 54 7.663 -3.887 -1.294 1000 HG LEU 54 HG LEU 54 6.551 -5.743 0.804 1001 HD11 LEU 54 1HD1 LEU 54 8.832 -6.647 0.938 1002 HD12 LEU 54 2HD1 LEU 54 9.272 -5.703 -0.487 1003 HD13 LEU 54 3HD1 LEU 54 8.063 -6.981 -0.614 1004 HD21 LEU 54 1HD2 LEU 54 8.656 -3.591 0.890 1005 HD22 LEU 54 2HD2 LEU 54 8.261 -4.686 2.215 1006 HD23 LEU 54 3HD2 LEU 54 7.058 -3.535 1.636 1007 H LEU 55 H LEU 55 4.677 -4.435 -2.980 1008 HA LEU 55 HA LEU 55 5.515 -2.256 -4.571 1009 HB2 LEU 55 1HB LEU 55 3.556 -4.476 -5.031 1010 HB3 LEU 55 2HB LEU 55 3.749 -3.191 -6.203 1011 HG LEU 55 HG LEU 55 5.258 -4.575 -7.118 1012 HD11 LEU 55 1HD1 LEU 55 7.519 -4.222 -6.362 1013 HD12 LEU 55 2HD1 LEU 55 6.930 -3.644 -4.802 1014 HD13 LEU 55 3HD1 LEU 55 6.595 -2.721 -6.270 1015 HD21 LEU 55 1HD2 LEU 55 5.736 -5.849 -4.432 1016 HD22 LEU 55 2HD2 LEU 55 6.391 -6.399 -5.975 1017 HD23 LEU 55 3HD2 LEU 55 4.652 -6.451 -5.685 1018 H THR 56 H THR 56 2.440 -2.991 -3.002 1019 HA THR 56 HA THR 56 0.968 -0.856 -4.108 1020 HB THR 56 HB THR 56 0.604 -2.133 -1.395 1021 HG1 THR 56 HG1 THR 56 0.468 -3.755 -2.871 1022 HG21 THR 56 1HG2 THR 56 -0.660 -0.044 -1.698 1023 HG22 THR 56 2HG2 THR 56 -1.726 -1.451 -1.634 1024 HG23 THR 56 3HG2 THR 56 -1.356 -0.696 -3.184 1025 H ALA 57 H ALA 57 2.969 -1.134 -1.222 1026 HA ALA 57 HA ALA 57 2.533 1.419 -0.183 1027 HB1 ALA 57 1HB ALA 57 4.938 -0.382 -0.041 1028 HB2 ALA 57 2HB ALA 57 3.642 -0.216 1.145 1029 HB3 ALA 57 3HB ALA 57 4.769 1.113 0.878 1030 H ALA 58 H ALA 58 5.004 0.237 -2.454 1031 HA ALA 58 HA ALA 58 6.276 2.679 -2.928 1032 HB1 ALA 58 1HB ALA 58 5.888 0.392 -4.855 1033 HB2 ALA 58 2HB ALA 58 7.167 0.514 -3.645 1034 HB3 ALA 58 3HB ALA 58 7.103 1.668 -4.980 1035 H GLU 59 H GLU 59 3.410 1.256 -4.397 1036 HA GLU 59 HA GLU 59 2.993 3.094 -6.466 1037 HB2 GLU 59 1HB GLU 59 1.011 1.494 -4.842 1038 HB3 GLU 59 2HB GLU 59 0.602 2.370 -6.305 1039 HG2 GLU 59 1HG GLU 59 2.651 0.184 -6.180 1040 HG3 GLU 59 2HG GLU 59 0.961 -0.068 -6.604 1041 H LEU 60 H LEU 60 1.577 3.043 -3.187 1042 HA LEU 60 HA LEU 60 0.257 5.528 -3.592 1043 HB2 LEU 60 1HB LEU 60 0.579 3.653 -1.329 1044 HB3 LEU 60 2HB LEU 60 0.187 5.313 -0.928 1045 HG LEU 60 HG LEU 60 -1.809 5.177 -2.367 1046 HD11 LEU 60 1HD1 LEU 60 -1.057 3.506 -3.946 1047 HD12 LEU 60 2HD1 LEU 60 -2.564 3.001 -3.181 1048 HD13 LEU 60 3HD1 LEU 60 -1.034 2.286 -2.671 1049 HD21 LEU 60 1HD2 LEU 60 -2.126 4.784 -0.057 1050 HD22 LEU 60 2HD2 LEU 60 -1.513 3.138 -0.191 1051 HD23 LEU 60 3HD2 LEU 60 -3.060 3.561 -0.925 1052 H LEU 61 H LEU 61 3.388 4.658 -2.242 1053 HA LEU 61 HA LEU 61 3.934 7.224 -1.145 1054 HB2 LEU 61 1HB LEU 61 5.759 5.034 -2.117 1055 HB3 LEU 61 2HB LEU 61 6.338 6.504 -1.361 1056 HG LEU 61 HG LEU 61 4.527 4.480 -0.055 1057 HD11 LEU 61 1HD1 LEU 61 7.464 5.034 0.310 1058 HD12 LEU 61 2HD1 LEU 61 6.750 3.608 -0.443 1059 HD13 LEU 61 3HD1 LEU 61 6.495 3.917 1.270 1060 HD21 LEU 61 1HD2 LEU 61 4.167 6.726 0.802 1061 HD22 LEU 61 2HD2 LEU 61 5.903 6.929 1.043 1062 HD23 LEU 61 3HD2 LEU 61 5.013 5.738 1.994 1063 H LEU 62 H LEU 62 3.967 5.921 -4.323 1064 HA LEU 62 HA LEU 62 5.635 7.905 -5.504 1065 HB2 LEU 62 1HB LEU 62 5.266 5.674 -6.481 1066 HB3 LEU 62 2HB LEU 62 3.585 6.081 -6.752 1067 HG LEU 62 HG LEU 62 4.308 7.886 -8.295 1068 HD11 LEU 62 1HD1 LEU 62 7.038 6.675 -7.877 1069 HD12 LEU 62 2HD1 LEU 62 6.525 8.291 -7.390 1070 HD13 LEU 62 3HD1 LEU 62 6.623 7.876 -9.101 1071 HD21 LEU 62 1HD2 LEU 62 4.917 6.393 -10.121 1072 HD22 LEU 62 2HD2 LEU 62 3.651 5.681 -9.118 1073 HD23 LEU 62 3HD2 LEU 62 5.318 5.127 -8.963 1074 H ASP 63 H ASP 63 2.135 7.445 -5.188 1075 HA ASP 63 HA ASP 63 1.657 9.973 -6.547 1076 HB2 ASP 63 1HB ASP 63 -0.103 7.737 -5.636 1077 HB3 ASP 63 2HB ASP 63 -0.801 9.310 -6.000 1078 H TYR 64 H TYR 64 1.270 8.599 -3.329 1079 HA TYR 64 HA TYR 64 0.108 11.105 -2.366 1080 HB2 TYR 64 1HB TYR 64 0.379 8.394 -1.060 1081 HB3 TYR 64 2HB TYR 64 -0.351 9.799 -0.292 1082 HD1 TYR 64 HD1 TYR 64 -0.752 7.228 -2.857 1083 HD2 TYR 64 HD2 TYR 64 -2.525 10.597 -0.979 1084 HE1 TYR 64 HE1 TYR 64 -2.906 6.652 -3.874 1085 HE2 TYR 64 HE2 TYR 64 -4.690 10.036 -1.985 1086 HH TYR 64 HH TYR 64 -5.560 8.792 -3.898 1087 H ASP 65 H ASP 65 2.668 11.484 -3.024 1088 HA ASP 65 HA ASP 65 4.426 10.996 -0.796 1089 HB2 ASP 65 1HB ASP 65 5.226 11.052 -3.154 1090 HB3 ASP 65 2HB ASP 65 4.865 12.774 -3.203 1091 H THR 66 H THR 66 2.353 12.187 0.252 1092 HA THR 66 HA THR 66 1.543 13.931 1.454 1093 HB THR 66 HB THR 66 3.330 15.126 2.795 1094 HG1 THR 66 HG1 THR 66 4.908 14.422 0.909 1095 HG21 THR 66 1HG2 THR 66 2.194 13.079 3.552 1096 HG22 THR 66 2HG2 THR 66 3.871 13.145 4.099 1097 HG23 THR 66 3HG2 THR 66 3.426 12.114 2.740 1098 H GLY 67 H GLY 67 1.605 14.673 -1.248 1099 HA2 GLY 67 1HA GLY 67 2.867 17.290 -1.410 1100 HA3 GLY 67 2HA GLY 67 2.003 16.467 -2.698 1101 H CYS 68 H CYS 68 0.845 17.124 0.554 1102 HA CYS 68 HA CYS 68 -0.950 18.230 1.364 1103 HB2 CYS 68 1HB CYS 68 -0.349 20.027 -0.979 1104 HB3 CYS 68 2HB CYS 68 -1.520 20.411 0.276 1105 H GLU 69 H GLU 69 -3.216 19.073 0.785 1106 HA GLU 69 HA GLU 69 -4.467 16.977 -0.772 1107 HB2 GLU 69 1HB GLU 69 -5.721 19.193 0.860 1108 HB3 GLU 69 2HB GLU 69 -6.556 17.794 0.197 1109 HG2 GLU 69 1HG GLU 69 -5.278 16.318 1.622 1110 HG3 GLU 69 2HG GLU 69 -4.357 17.684 2.246 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 -1.419 12.688 -8.576 2 H2 GLY 1 2H GLY 1 -2.565 12.714 -7.334 3 H3 GLY 1 3H GLY 1 -3.017 13.127 -8.910 4 HA2 GLY 1 2HA GLY 1 -2.576 10.882 -9.663 5 HA3 GLY 1 1HA GLY 1 -2.098 10.452 -8.027 6 HA PRO 2 HA PRO 2 -6.471 9.180 -8.230 7 HB2 PRO 2 1HB PRO 2 -5.737 7.697 -5.804 8 HB3 PRO 2 2HB PRO 2 -6.425 7.102 -7.315 9 HG2 PRO 2 1HG PRO 2 -3.882 6.594 -6.623 10 HG3 PRO 2 2HG PRO 2 -4.366 6.841 -8.311 11 HD2 PRO 2 1HD PRO 2 -3.020 8.736 -6.426 12 HD3 PRO 2 2HD PRO 2 -2.718 8.459 -8.155 13 H LYS 3 H LYS 3 -7.885 10.600 -7.480 14 HA LYS 3 HA LYS 3 -7.606 11.547 -4.707 15 HB2 LYS 3 1HB LYS 3 -9.274 12.659 -6.967 16 HB3 LYS 3 2HB LYS 3 -9.168 13.335 -5.351 17 HG2 LYS 3 1HG LYS 3 -6.852 13.076 -7.252 18 HG3 LYS 3 2HG LYS 3 -7.808 14.539 -7.027 19 HD2 LYS 3 1HD LYS 3 -6.245 13.148 -4.852 20 HD3 LYS 3 2HD LYS 3 -5.672 14.542 -5.764 21 HE2 LYS 3 1HE LYS 3 -8.118 14.456 -4.003 22 HE3 LYS 3 2HE LYS 3 -6.578 15.210 -3.599 23 HZ1 LYS 3 1HZ LYS 3 -8.440 16.028 -5.762 24 HZ2 LYS 3 2HZ LYS 3 -6.908 16.698 -5.526 25 HZ3 LYS 3 3HZ LYS 3 -8.099 16.879 -4.344 26 H THR 4 H THR 4 -9.227 9.417 -6.691 27 HA THR 4 HA THR 4 -11.444 9.230 -4.784 28 HB THR 4 HB THR 4 -12.790 8.258 -6.655 29 HG1 THR 4 HG1 THR 4 -10.626 9.274 -8.230 30 HG21 THR 4 1HG2 THR 4 -13.103 10.571 -5.976 31 HG22 THR 4 2HG2 THR 4 -13.263 10.421 -7.726 32 HG23 THR 4 3HG2 THR 4 -11.781 11.076 -7.029 33 H LEU 5 H LEU 5 -12.457 7.047 -4.751 34 HA LEU 5 HA LEU 5 -10.582 5.202 -3.837 35 HB2 LEU 5 1HB LEU 5 -13.026 5.440 -3.230 36 HB3 LEU 5 2HB LEU 5 -13.402 4.594 -4.713 37 HG LEU 5 HG LEU 5 -13.343 3.316 -2.450 38 HD11 LEU 5 1HD1 LEU 5 -12.595 1.270 -3.598 39 HD12 LEU 5 2HD1 LEU 5 -12.024 2.263 -4.941 40 HD13 LEU 5 3HD1 LEU 5 -13.744 2.214 -4.546 41 HD21 LEU 5 1HD2 LEU 5 -10.425 3.312 -3.190 42 HD22 LEU 5 2HD2 LEU 5 -11.180 2.333 -1.933 43 HD23 LEU 5 3HD2 LEU 5 -11.136 4.090 -1.775 44 H HIS 6 H HIS 6 -12.543 5.117 -6.802 45 HA HIS 6 HA HIS 6 -11.626 2.703 -7.809 46 HB2 HIS 6 1HB HIS 6 -13.561 3.952 -8.695 47 HB3 HIS 6 2HB HIS 6 -12.465 5.138 -9.384 48 HD1 HIS 6 HD1 HIS 6 -12.967 4.741 -11.825 49 HD2 HIS 6 HD2 HIS 6 -11.957 1.251 -9.807 50 HE1 HIS 6 HE1 HIS 6 -12.741 2.973 -13.595 51 HE2 HIS 6 HE2 HIS 6 -12.210 0.854 -12.351 52 H GLU 7 H GLU 7 -10.285 5.947 -8.258 53 HA GLU 7 HA GLU 7 -8.375 5.313 -10.202 54 HB2 GLU 7 1HB GLU 7 -8.329 7.412 -8.043 55 HB3 GLU 7 2HB GLU 7 -7.149 7.320 -9.339 56 HG2 GLU 7 1HG GLU 7 -8.925 7.661 -10.973 57 HG3 GLU 7 2HG GLU 7 -10.103 7.759 -9.662 58 H LEU 8 H LEU 8 -8.246 5.199 -6.687 59 HA LEU 8 HA LEU 8 -5.477 4.622 -6.516 60 HB2 LEU 8 1HB LEU 8 -6.993 5.540 -4.707 61 HB3 LEU 8 2HB LEU 8 -7.607 3.913 -4.505 62 HG LEU 8 HG LEU 8 -5.773 4.777 -2.908 63 HD11 LEU 8 1HD1 LEU 8 -4.769 2.529 -2.762 64 HD12 LEU 8 2HD1 LEU 8 -5.546 2.116 -4.290 65 HD13 LEU 8 3HD1 LEU 8 -6.528 2.495 -2.876 66 HD21 LEU 8 1HD2 LEU 8 -4.321 5.606 -4.736 67 HD22 LEU 8 2HD2 LEU 8 -4.031 3.931 -5.206 68 HD23 LEU 8 3HD2 LEU 8 -3.510 4.505 -3.622 69 H LEU 9 H LEU 9 -8.390 2.624 -6.473 70 HA LEU 9 HA LEU 9 -7.155 0.133 -6.167 71 HB2 LEU 9 1HB LEU 9 -9.737 1.045 -7.362 72 HB3 LEU 9 2HB LEU 9 -9.239 -0.617 -7.576 73 HG LEU 9 HG LEU 9 -10.816 -0.239 -5.677 74 HD11 LEU 9 1HD1 LEU 9 -9.594 -1.639 -4.090 75 HD12 LEU 9 2HD1 LEU 9 -8.099 -1.320 -4.971 76 HD13 LEU 9 3HD1 LEU 9 -9.409 -2.208 -5.749 77 HD21 LEU 9 1HD2 LEU 9 -9.980 0.728 -3.620 78 HD22 LEU 9 2HD2 LEU 9 -9.933 1.915 -4.924 79 HD23 LEU 9 3HD2 LEU 9 -8.450 1.116 -4.404 80 H GLU 10 H GLU 10 -7.820 2.041 -9.061 81 HA GLU 10 HA GLU 10 -6.976 0.135 -10.947 82 HB2 GLU 10 1HB GLU 10 -6.953 3.149 -11.076 83 HB3 GLU 10 2HB GLU 10 -6.648 2.099 -12.451 84 HG2 GLU 10 1HG GLU 10 -8.889 1.159 -12.227 85 HG3 GLU 10 2HG GLU 10 -9.195 2.228 -10.857 86 H ARG 11 H ARG 11 -5.216 2.514 -9.060 87 HA ARG 11 HA ARG 11 -2.800 2.325 -10.533 88 HB2 ARG 11 1HB ARG 11 -3.404 4.271 -9.121 89 HB3 ARG 11 2HB ARG 11 -3.205 3.264 -7.691 90 HG2 ARG 11 1HG ARG 11 -0.876 2.966 -8.163 91 HG3 ARG 11 2HG ARG 11 -1.033 3.828 -9.692 92 HD2 ARG 11 1HD ARG 11 -1.740 5.834 -8.393 93 HD3 ARG 11 2HD ARG 11 -1.368 4.946 -6.917 94 HE ARG 11 HE ARG 11 0.958 4.755 -7.869 95 HH11 ARG 11 1HH1 ARG 11 -1.147 7.395 -8.840 96 HH12 ARG 11 2HH1 ARG 11 0.159 8.509 -9.075 97 HH21 ARG 11 1HH2 ARG 11 2.662 6.229 -8.197 98 HH22 ARG 11 2HH2 ARG 11 2.319 7.852 -8.709 99 H ILE 12 H ILE 12 -3.961 0.829 -7.541 100 HA ILE 12 HA ILE 12 -1.470 -0.576 -7.172 101 HB ILE 12 HB ILE 12 -2.492 -1.573 -5.213 102 HG12 ILE 12 1HG1 ILE 12 -5.013 -0.090 -5.992 103 HG13 ILE 12 2HG1 ILE 12 -4.790 -1.830 -6.148 104 HG21 ILE 12 1HG2 ILE 12 -2.943 0.526 -3.982 105 HG22 ILE 12 2HG2 ILE 12 -3.004 1.379 -5.525 106 HG23 ILE 12 3HG2 ILE 12 -1.503 0.612 -4.999 107 HD11 ILE 12 1HD1 ILE 12 -4.484 -1.997 -3.726 108 HD12 ILE 12 2HD1 ILE 12 -6.049 -1.302 -4.154 109 HD13 ILE 12 3HD1 ILE 12 -4.746 -0.257 -3.585 110 H GLY 13 H GLY 13 -4.346 -1.118 -8.900 111 HA2 GLY 13 1HA GLY 13 -4.390 -2.750 -10.608 112 HA3 GLY 13 2HA GLY 13 -3.243 -3.708 -9.692 113 H LEU 14 H LEU 14 -6.033 -2.364 -8.135 114 HA LEU 14 HA LEU 14 -7.275 -5.028 -8.163 115 HB2 LEU 14 1HB LEU 14 -6.969 -3.100 -5.885 116 HB3 LEU 14 2HB LEU 14 -8.226 -4.319 -5.887 117 HG LEU 14 HG LEU 14 -6.533 -5.294 -4.639 118 HD11 LEU 14 1HD1 LEU 14 -7.353 -6.757 -6.426 119 HD12 LEU 14 2HD1 LEU 14 -5.700 -7.133 -5.938 120 HD13 LEU 14 3HD1 LEU 14 -5.997 -6.249 -7.434 121 HD21 LEU 14 1HD2 LEU 14 -4.776 -3.703 -5.019 122 HD22 LEU 14 2HD2 LEU 14 -4.558 -4.291 -6.669 123 HD23 LEU 14 3HD2 LEU 14 -4.175 -5.335 -5.301 124 H GLU 15 H GLU 15 -7.717 -2.737 -9.902 125 HA GLU 15 HA GLU 15 -10.081 -1.390 -9.259 126 HB2 GLU 15 1HB GLU 15 -10.340 -1.052 -11.700 127 HB3 GLU 15 2HB GLU 15 -8.740 -0.644 -11.106 128 HG2 GLU 15 1HG GLU 15 -7.842 -2.704 -11.970 129 HG3 GLU 15 2HG GLU 15 -9.452 -3.235 -12.454 130 H GLU 16 H GLU 16 -9.515 -4.633 -10.205 131 HA GLU 16 HA GLU 16 -12.051 -5.360 -11.157 132 HB2 GLU 16 1HB GLU 16 -11.385 -7.651 -10.587 133 HB3 GLU 16 2HB GLU 16 -10.089 -6.792 -11.402 134 HG2 GLU 16 1HG GLU 16 -9.087 -6.337 -9.164 135 HG3 GLU 16 2HG GLU 16 -10.315 -7.390 -8.465 136 H HIS 17 H HIS 17 -10.940 -4.601 -7.988 137 HA HIS 17 HA HIS 17 -13.345 -5.820 -6.813 138 HB2 HIS 17 1HB HIS 17 -10.654 -5.190 -5.643 139 HB3 HIS 17 2HB HIS 17 -12.057 -5.429 -4.614 140 HD1 HIS 17 HD1 HIS 17 -13.379 -7.862 -5.420 141 HD2 HIS 17 HD2 HIS 17 -9.257 -7.480 -5.859 142 HE1 HIS 17 HE1 HIS 17 -12.484 -10.206 -5.510 143 HE2 HIS 17 HE2 HIS 17 -10.008 -9.969 -5.873 144 H THR 18 H THR 18 -12.437 -2.940 -7.981 145 HA THR 18 HA THR 18 -12.841 -1.048 -6.010 146 HB THR 18 HB THR 18 -13.919 -0.800 -8.812 147 HG1 THR 18 HG1 THR 18 -11.874 -1.092 -9.303 148 HG21 THR 18 1HG2 THR 18 -14.619 0.943 -7.235 149 HG22 THR 18 2HG2 THR 18 -13.539 1.583 -8.474 150 HG23 THR 18 3HG2 THR 18 -12.928 1.264 -6.850 151 H SER 19 H SER 19 -15.271 -2.626 -8.049 152 HA SER 19 HA SER 19 -17.513 -1.299 -7.060 153 HB2 SER 19 1HB SER 19 -17.427 -4.144 -8.051 154 HB3 SER 19 2HB SER 19 -18.789 -3.028 -8.113 155 HG SER 19 HG SER 19 -17.387 -1.688 -9.479 156 H THR 20 H THR 20 -15.880 -4.236 -5.967 157 HA THR 20 HA THR 20 -17.676 -5.079 -4.021 158 HB THR 20 HB THR 20 -14.659 -5.208 -3.865 159 HG1 THR 20 HG1 THR 20 -16.571 -6.769 -5.267 160 HG21 THR 20 1HG2 THR 20 -16.798 -6.952 -2.640 161 HG22 THR 20 2HG2 THR 20 -15.783 -5.792 -1.778 162 HG23 THR 20 3HG2 THR 20 -15.057 -7.219 -2.523 163 H LEU 21 H LEU 21 -14.892 -2.891 -3.712 164 HA LEU 21 HA LEU 21 -15.319 -2.177 -1.029 165 HB2 LEU 21 1HB LEU 21 -13.924 -0.858 -3.334 166 HB3 LEU 21 2HB LEU 21 -14.094 -0.010 -1.817 167 HG LEU 21 HG LEU 21 -11.967 -0.922 -1.691 168 HD11 LEU 21 1HD1 LEU 21 -13.324 -1.436 0.293 169 HD12 LEU 21 2HD1 LEU 21 -12.019 -2.593 0.027 170 HD13 LEU 21 3HD1 LEU 21 -13.676 -3.024 -0.391 171 HD21 LEU 21 1HD2 LEU 21 -12.079 -2.329 -3.667 172 HD22 LEU 21 2HD2 LEU 21 -13.041 -3.512 -2.779 173 HD23 LEU 21 3HD2 LEU 21 -11.372 -3.199 -2.304 174 H LEU 22 H LEU 22 -16.225 -0.543 -4.027 175 HA LEU 22 HA LEU 22 -17.489 1.695 -3.052 176 HB2 LEU 22 1HB LEU 22 -16.947 1.083 -5.437 177 HB3 LEU 22 2HB LEU 22 -18.388 0.088 -5.436 178 HG LEU 22 HG LEU 22 -19.700 2.176 -4.892 179 HD11 LEU 22 1HD1 LEU 22 -17.067 3.453 -5.602 180 HD12 LEU 22 2HD1 LEU 22 -17.919 3.561 -4.064 181 HD13 LEU 22 3HD1 LEU 22 -18.607 4.306 -5.505 182 HD21 LEU 22 1HD2 LEU 22 -19.639 1.176 -7.119 183 HD22 LEU 22 2HD2 LEU 22 -18.187 2.101 -7.497 184 HD23 LEU 22 3HD2 LEU 22 -19.712 2.935 -7.206 185 H LEU 23 H LEU 23 -18.962 -1.455 -3.767 186 HA LEU 23 HA LEU 23 -21.601 -0.723 -3.117 187 HB2 LEU 23 1HB LEU 23 -20.285 -3.433 -3.123 188 HB3 LEU 23 2HB LEU 23 -22.011 -3.160 -3.037 189 HG LEU 23 HG LEU 23 -20.228 -2.411 -5.353 190 HD11 LEU 23 1HD1 LEU 23 -20.515 -4.808 -5.165 191 HD12 LEU 23 2HD1 LEU 23 -21.428 -4.186 -6.541 192 HD13 LEU 23 3HD1 LEU 23 -22.264 -4.610 -5.047 193 HD21 LEU 23 1HD2 LEU 23 -23.218 -2.210 -5.022 194 HD22 LEU 23 2HD2 LEU 23 -22.328 -1.915 -6.515 195 HD23 LEU 23 3HD2 LEU 23 -22.083 -0.864 -5.121 196 H ASN 24 H ASN 24 -18.946 -1.952 -1.203 197 HA ASN 24 HA ASN 24 -20.722 -2.458 1.040 198 HB2 ASN 24 1HB ASN 24 -17.853 -3.111 0.481 199 HB3 ASN 24 2HB ASN 24 -18.503 -3.233 2.113 200 HD21 ASN 24 1HD2 ASN 24 -18.509 -4.550 -1.081 201 HD22 ASN 24 2HD2 ASN 24 -19.415 -5.981 -0.714 202 H GLY 25 H GLY 25 -19.622 0.249 -0.100 203 HA2 GLY 25 1HA GLY 25 -20.180 2.187 1.198 204 HA3 GLY 25 2HA GLY 25 -19.564 1.363 2.619 205 H TYR 26 H TYR 26 -17.343 0.605 0.451 206 HA TYR 26 HA TYR 26 -15.597 2.756 1.309 207 HB2 TYR 26 1HB TYR 26 -15.054 0.235 -0.249 208 HB3 TYR 26 2HB TYR 26 -13.817 1.377 0.270 209 HD1 TYR 26 HD1 TYR 26 -15.773 -1.474 1.159 210 HD2 TYR 26 HD2 TYR 26 -13.579 1.793 2.768 211 HE1 TYR 26 HE1 TYR 26 -15.628 -2.643 3.316 212 HE2 TYR 26 HE2 TYR 26 -13.419 0.635 4.926 213 HH TYR 26 HH TYR 26 -14.759 -1.126 6.153 214 H GLN 27 H GLN 27 -16.716 4.350 0.102 215 HA GLN 27 HA GLN 27 -16.599 4.110 -2.804 216 HB2 GLN 27 1HB GLN 27 -17.995 6.182 -1.115 217 HB3 GLN 27 2HB GLN 27 -18.207 5.912 -2.840 218 HG2 GLN 27 1HG GLN 27 -19.131 3.698 -2.376 219 HG3 GLN 27 2HG GLN 27 -18.917 3.977 -0.652 220 HE21 GLN 27 1HE2 GLN 27 -20.752 4.790 -3.482 221 HE22 GLN 27 2HE2 GLN 27 -22.053 5.567 -2.656 222 H THR 28 H THR 28 -15.093 5.650 -0.180 223 HA THR 28 HA THR 28 -13.599 7.356 -2.052 224 HB THR 28 HB THR 28 -13.416 9.087 -0.360 225 HG1 THR 28 HG1 THR 28 -15.160 7.468 1.228 226 HG21 THR 28 1HG2 THR 28 -15.318 9.260 -1.846 227 HG22 THR 28 2HG2 THR 28 -15.789 9.795 -0.233 228 HG23 THR 28 3HG2 THR 28 -16.265 8.195 -0.807 229 H LEU 29 H LEU 29 -11.478 8.029 -1.132 230 HA LEU 29 HA LEU 29 -9.989 5.838 -0.140 231 HB2 LEU 29 1HB LEU 29 -9.285 8.775 -0.178 232 HB3 LEU 29 2HB LEU 29 -8.152 7.451 0.024 233 HG LEU 29 HG LEU 29 -9.803 7.971 -2.450 234 HD11 LEU 29 1HD1 LEU 29 -8.072 9.656 -2.125 235 HD12 LEU 29 2HD1 LEU 29 -7.691 8.601 -3.486 236 HD13 LEU 29 3HD1 LEU 29 -6.862 8.385 -1.943 237 HD21 LEU 29 1HD2 LEU 29 -7.611 5.969 -1.948 238 HD22 LEU 29 2HD2 LEU 29 -8.467 6.229 -3.469 239 HD23 LEU 29 3HD2 LEU 29 -9.332 5.602 -2.067 240 H GLU 30 H GLU 30 -11.767 8.401 1.302 241 HA GLU 30 HA GLU 30 -10.621 8.283 3.900 242 HB2 GLU 30 1HB GLU 30 -13.293 9.322 2.953 243 HB3 GLU 30 2HB GLU 30 -12.647 9.557 4.574 244 HG2 GLU 30 1HG GLU 30 -10.732 10.760 3.617 245 HG3 GLU 30 2HG GLU 30 -11.427 10.561 2.011 246 H ASP 31 H ASP 31 -13.058 6.477 2.214 247 HA ASP 31 HA ASP 31 -13.946 5.091 4.595 248 HB2 ASP 31 1HB ASP 31 -14.379 4.418 1.674 249 HB3 ASP 31 2HB ASP 31 -15.182 3.643 3.031 250 H PHE 32 H PHE 32 -11.911 4.476 1.797 251 HA PHE 32 HA PHE 32 -11.412 1.759 2.298 252 HB2 PHE 32 1HB PHE 32 -11.105 2.982 0.126 253 HB3 PHE 32 2HB PHE 32 -9.629 3.668 0.789 254 HD1 PHE 32 HD1 PHE 32 -11.202 0.708 -0.617 255 HD2 PHE 32 HD2 PHE 32 -7.692 2.236 1.224 256 HE1 PHE 32 HE1 PHE 32 -9.942 -1.262 -1.385 257 HE2 PHE 32 HE2 PHE 32 -6.429 0.276 0.456 258 HZ PHE 32 HZ PHE 32 -7.551 -1.474 -0.851 259 H LYS 33 H LYS 33 -9.933 4.628 3.614 260 HA LYS 33 HA LYS 33 -7.498 3.442 4.411 261 HB2 LYS 33 1HB LYS 33 -7.341 5.351 6.002 262 HB3 LYS 33 2HB LYS 33 -7.636 5.820 4.336 263 HG2 LYS 33 1HG LYS 33 -9.929 6.269 4.794 264 HG3 LYS 33 2HG LYS 33 -9.793 5.581 6.411 265 HD2 LYS 33 1HD LYS 33 -9.793 8.014 6.492 266 HD3 LYS 33 2HD LYS 33 -8.255 7.363 7.051 267 HE2 LYS 33 1HE LYS 33 -7.252 7.858 4.876 268 HE3 LYS 33 2HE LYS 33 -8.793 8.484 4.302 269 HZ1 LYS 33 1HZ LYS 33 -7.332 10.272 5.006 270 HZ2 LYS 33 2HZ LYS 33 -7.205 9.599 6.551 271 HZ3 LYS 33 3HZ LYS 33 -8.691 10.199 6.010 272 H GLU 34 H GLU 34 -10.627 2.899 5.506 273 HA GLU 34 HA GLU 34 -9.638 1.836 8.063 274 HB2 GLU 34 1HB GLU 34 -12.464 2.446 7.191 275 HB3 GLU 34 2HB GLU 34 -12.010 1.766 8.748 276 HG2 GLU 34 1HG GLU 34 -10.653 3.813 9.161 277 HG3 GLU 34 2HG GLU 34 -11.320 4.485 7.675 278 H LEU 35 H LEU 35 -9.875 0.857 5.089 279 HA LEU 35 HA LEU 35 -11.422 -1.526 5.233 280 HB2 LEU 35 1HB LEU 35 -10.918 -0.319 3.148 281 HB3 LEU 35 2HB LEU 35 -9.220 -0.673 3.349 282 HG LEU 35 HG LEU 35 -10.542 -2.026 1.644 283 HD11 LEU 35 1HD1 LEU 35 -8.989 -3.537 3.733 284 HD12 LEU 35 2HD1 LEU 35 -8.274 -2.568 2.442 285 HD13 LEU 35 3HD1 LEU 35 -9.226 -4.000 2.047 286 HD21 LEU 35 1HD2 LEU 35 -11.724 -3.973 2.505 287 HD22 LEU 35 2HD2 LEU 35 -12.482 -2.476 3.049 288 HD23 LEU 35 3HD2 LEU 35 -11.471 -3.404 4.155 289 H ARG 36 H ARG 36 -10.877 -3.430 6.085 290 HA ARG 36 HA ARG 36 -8.058 -3.894 6.758 291 HB2 ARG 36 1HB ARG 36 -10.470 -4.581 8.438 292 HB3 ARG 36 2HB ARG 36 -8.814 -5.029 8.819 293 HG2 ARG 36 1HG ARG 36 -9.918 -2.232 8.655 294 HG3 ARG 36 2HG ARG 36 -9.485 -3.111 10.125 295 HD2 ARG 36 1HD ARG 36 -7.154 -3.220 9.338 296 HD3 ARG 36 2HD ARG 36 -7.609 -2.289 7.914 297 HE ARG 36 HE ARG 36 -8.385 -0.824 10.150 298 HH11 ARG 36 1HH1 ARG 36 -5.452 -2.002 8.679 299 HH12 ARG 36 2HH1 ARG 36 -4.464 -0.699 9.257 300 HH21 ARG 36 1HH2 ARG 36 -7.101 0.911 10.934 301 HH22 ARG 36 2HH2 ARG 36 -5.410 0.968 10.542 302 H GLU 37 H GLU 37 -7.596 -6.255 7.206 303 HA GLU 37 HA GLU 37 -8.332 -7.720 4.908 304 HB2 GLU 37 1HB GLU 37 -6.193 -8.030 6.121 305 HB3 GLU 37 2HB GLU 37 -7.081 -8.771 7.447 306 HG2 GLU 37 1HG GLU 37 -7.839 -10.542 5.953 307 HG3 GLU 37 2HG GLU 37 -6.944 -9.802 4.627 308 H THR 38 H THR 38 -9.406 -7.801 8.253 309 HA THR 38 HA THR 38 -11.094 -10.016 8.158 310 HB THR 38 HB THR 38 -11.681 -7.460 9.651 311 HG1 THR 38 HG1 THR 38 -10.033 -7.879 10.916 312 HG21 THR 38 1HG2 THR 38 -13.439 -9.164 9.716 313 HG22 THR 38 2HG2 THR 38 -12.690 -8.954 11.299 314 HG23 THR 38 3HG2 THR 38 -12.271 -10.348 10.301 315 H HIS 39 H HIS 39 -11.437 -6.793 6.923 316 HA HIS 39 HA HIS 39 -14.265 -6.960 6.459 317 HB2 HIS 39 1HB HIS 39 -12.233 -5.026 5.324 318 HB3 HIS 39 2HB HIS 39 -13.982 -4.844 5.246 319 HD1 HIS 39 HD1 HIS 39 -13.082 -2.492 6.465 320 HD2 HIS 39 HD2 HIS 39 -13.216 -5.970 8.732 321 HE1 HIS 39 HE1 HIS 39 -12.899 -1.749 8.854 322 HE2 HIS 39 HE2 HIS 39 -13.236 -3.845 10.209 323 H LEU 40 H LEU 40 -11.308 -7.458 4.644 324 HA LEU 40 HA LEU 40 -12.464 -7.895 2.111 325 HB2 LEU 40 1HB LEU 40 -9.867 -8.441 3.400 326 HB3 LEU 40 2HB LEU 40 -10.267 -9.468 2.038 327 HG LEU 40 HG LEU 40 -10.350 -7.632 0.547 328 HD11 LEU 40 1HD1 LEU 40 -10.316 -5.352 1.177 329 HD12 LEU 40 2HD1 LEU 40 -10.023 -5.763 2.867 330 HD13 LEU 40 3HD1 LEU 40 -11.575 -6.143 2.124 331 HD21 LEU 40 1HD2 LEU 40 -8.107 -8.303 1.047 332 HD22 LEU 40 2HD2 LEU 40 -8.072 -7.277 2.478 333 HD23 LEU 40 3HD2 LEU 40 -8.151 -6.552 0.872 334 H ASN 41 H ASN 41 -11.922 -10.000 4.869 335 HA ASN 41 HA ASN 41 -12.694 -12.430 3.735 336 HB2 ASN 41 1HB ASN 41 -13.243 -11.376 6.520 337 HB3 ASN 41 2HB ASN 41 -13.479 -13.048 6.028 338 HD21 ASN 41 1HD2 ASN 41 -11.805 -12.119 8.112 339 HD22 ASN 41 2HD2 ASN 41 -10.173 -12.531 7.707 340 H GLU 42 H GLU 42 -14.578 -9.777 5.036 341 HA GLU 42 HA GLU 42 -17.130 -10.975 4.669 342 HB2 GLU 42 1HB GLU 42 -16.332 -8.079 4.966 343 HB3 GLU 42 2HB GLU 42 -17.969 -8.700 5.109 344 HG2 GLU 42 1HG GLU 42 -15.670 -9.465 6.888 345 HG3 GLU 42 2HG GLU 42 -16.906 -8.272 7.278 346 H LEU 43 H LEU 43 -15.059 -8.904 2.762 347 HA LEU 43 HA LEU 43 -17.008 -8.377 0.720 348 HB2 LEU 43 1HB LEU 43 -14.023 -7.999 0.608 349 HB3 LEU 43 2HB LEU 43 -15.221 -7.226 -0.408 350 HG LEU 43 HG LEU 43 -14.803 -6.749 2.536 351 HD11 LEU 43 1HD1 LEU 43 -13.117 -5.761 1.051 352 HD12 LEU 43 2HD1 LEU 43 -14.098 -4.551 1.878 353 HD13 LEU 43 3HD1 LEU 43 -14.404 -4.925 0.180 354 HD21 LEU 43 1HD2 LEU 43 -17.160 -6.614 1.975 355 HD22 LEU 43 2HD2 LEU 43 -16.791 -5.512 0.648 356 HD23 LEU 43 3HD2 LEU 43 -16.499 -5.014 2.315 357 H ASN 44 H ASN 44 -15.317 -11.056 1.506 358 HA ASN 44 HA ASN 44 -14.954 -13.059 0.514 359 HB2 ASN 44 1HB ASN 44 -17.200 -12.398 -0.613 360 HB3 ASN 44 2HB ASN 44 -16.212 -12.075 -2.030 361 HD21 ASN 44 1HD2 ASN 44 -15.211 -13.800 -3.094 362 HD22 ASN 44 2HD2 ASN 44 -15.688 -15.439 -2.818 363 H ILE 45 H ILE 45 -13.228 -10.622 0.143 364 HA ILE 45 HA ILE 45 -11.812 -11.262 -2.314 365 HB ILE 45 HB ILE 45 -11.086 -9.244 -0.187 366 HG12 ILE 45 1HG1 ILE 45 -12.474 -8.833 -2.843 367 HG13 ILE 45 2HG1 ILE 45 -13.275 -8.799 -1.277 368 HG21 ILE 45 1HG2 ILE 45 -9.645 -8.283 -1.934 369 HG22 ILE 45 2HG2 ILE 45 -10.090 -9.605 -3.014 370 HG23 ILE 45 3HG2 ILE 45 -9.181 -9.940 -1.541 371 HD11 ILE 45 1HD1 ILE 45 -11.110 -6.911 -2.165 372 HD12 ILE 45 2HD1 ILE 45 -11.996 -6.852 -0.639 373 HD13 ILE 45 3HD1 ILE 45 -12.839 -6.565 -2.161 374 H MET 46 H MET 46 -11.408 -13.434 -1.616 375 HA MET 46 HA MET 46 -9.649 -13.871 0.631 376 HB2 MET 46 1HB MET 46 -10.512 -15.835 -1.493 377 HB3 MET 46 2HB MET 46 -9.848 -16.215 0.087 378 HG2 MET 46 1HG MET 46 -12.379 -14.657 -0.104 379 HG3 MET 46 2HG MET 46 -12.407 -16.394 -0.368 380 HE1 MET 46 1HE MET 46 -11.507 -14.233 3.598 381 HE2 MET 46 2HE MET 46 -11.809 -13.476 2.032 382 HE3 MET 46 3HE MET 46 -10.252 -14.233 2.363 383 H ASP 47 H ASP 47 -9.351 -12.958 -2.525 384 HA ASP 47 HA ASP 47 -7.082 -14.074 -3.601 385 HB2 ASP 47 1HB ASP 47 -7.867 -11.157 -3.564 386 HB3 ASP 47 2HB ASP 47 -6.743 -11.884 -4.700 387 HA PRO 48 HA PRO 48 -4.477 -13.237 -0.034 388 HB2 PRO 48 1HB PRO 48 -2.386 -14.474 -1.707 389 HB3 PRO 48 2HB PRO 48 -2.959 -14.922 -0.101 390 HG2 PRO 48 1HG PRO 48 -3.579 -16.385 -2.236 391 HG3 PRO 48 2HG PRO 48 -4.738 -16.133 -0.922 392 HD2 PRO 48 1HD PRO 48 -4.607 -14.825 -3.608 393 HD3 PRO 48 2HD PRO 48 -6.020 -15.397 -2.697 394 H GLN 49 H GLN 49 -2.964 -12.781 -3.253 395 HA GLN 49 HA GLN 49 -1.138 -10.824 -2.256 396 HB2 GLN 49 1HB GLN 49 -1.915 -11.680 -5.031 397 HB3 GLN 49 2HB GLN 49 -0.815 -10.343 -4.754 398 HG2 GLN 49 1HG GLN 49 0.710 -11.815 -3.572 399 HG3 GLN 49 2HG GLN 49 -0.399 -13.164 -3.793 400 HE21 GLN 49 1HE2 GLN 49 1.896 -11.058 -5.311 401 HE22 GLN 49 2HE2 GLN 49 2.054 -11.955 -6.779 402 H HIS 50 H HIS 50 -4.257 -10.766 -3.814 403 HA HIS 50 HA HIS 50 -4.336 -7.982 -4.323 404 HB2 HIS 50 1HB HIS 50 -6.579 -9.954 -3.923 405 HB3 HIS 50 2HB HIS 50 -6.788 -8.323 -4.533 406 HD1 HIS 50 HD1 HIS 50 -7.756 -10.445 -6.390 407 HD2 HIS 50 HD2 HIS 50 -3.770 -9.252 -6.322 408 HE1 HIS 50 HE1 HIS 50 -6.834 -11.015 -8.654 409 HE2 HIS 50 HE2 HIS 50 -4.413 -10.331 -8.581 410 H ARG 51 H ARG 51 -5.495 -9.989 -1.652 411 HA ARG 51 HA ARG 51 -6.443 -8.058 0.087 412 HB2 ARG 51 1HB ARG 51 -4.892 -10.598 0.566 413 HB3 ARG 51 2HB ARG 51 -5.449 -9.597 1.897 414 HG2 ARG 51 1HG ARG 51 -7.680 -10.068 1.474 415 HG3 ARG 51 2HG ARG 51 -7.357 -10.587 -0.180 416 HD2 ARG 51 1HD ARG 51 -7.873 -12.449 1.391 417 HD3 ARG 51 2HD ARG 51 -6.316 -12.595 0.583 418 HE ARG 51 HE ARG 51 -5.898 -11.313 3.029 419 HH11 ARG 51 1HH1 ARG 51 -6.923 -14.445 1.835 420 HH12 ARG 51 2HH1 ARG 51 -6.292 -15.311 3.197 421 HH21 ARG 51 1HH2 ARG 51 -5.044 -12.448 4.813 422 HH22 ARG 51 2HH2 ARG 51 -5.230 -14.178 4.897 423 H ALA 52 H ALA 52 -3.164 -9.304 -0.233 424 HA ALA 52 HA ALA 52 -1.876 -7.808 1.668 425 HB1 ALA 52 1HB ALA 52 -0.792 -8.690 -1.000 426 HB2 ALA 52 2HB ALA 52 -0.922 -9.704 0.436 427 HB3 ALA 52 3HB ALA 52 0.152 -8.309 0.437 428 H LYS 53 H LYS 53 -2.503 -6.948 -1.723 429 HA LYS 53 HA LYS 53 -1.185 -4.440 -1.602 430 HB2 LYS 53 1HB LYS 53 -3.437 -5.204 -3.459 431 HB3 LYS 53 2HB LYS 53 -2.232 -3.949 -3.713 432 HG2 LYS 53 1HG LYS 53 -0.529 -5.874 -3.543 433 HG3 LYS 53 2HG LYS 53 -1.919 -6.916 -3.842 434 HD2 LYS 53 1HD LYS 53 -1.115 -6.584 -5.976 435 HD3 LYS 53 2HD LYS 53 -2.324 -5.305 -5.858 436 HE2 LYS 53 1HE LYS 53 -0.634 -3.671 -5.371 437 HE3 LYS 53 2HE LYS 53 0.605 -4.927 -5.272 438 HZ1 LYS 53 1HZ LYS 53 0.724 -3.811 -7.384 439 HZ2 LYS 53 2HZ LYS 53 -0.906 -4.130 -7.699 440 HZ3 LYS 53 3HZ LYS 53 0.207 -5.403 -7.632 441 H LEU 54 H LEU 54 -4.610 -5.340 -1.383 442 HA LEU 54 HA LEU 54 -5.704 -2.809 -1.160 443 HB2 LEU 54 1HB LEU 54 -6.604 -5.426 0.019 444 HB3 LEU 54 2HB LEU 54 -7.578 -3.972 0.041 445 HG LEU 54 HG LEU 54 -6.578 -5.268 -2.490 446 HD11 LEU 54 1HD1 LEU 54 -8.060 -6.804 -1.359 447 HD12 LEU 54 2HD1 LEU 54 -8.878 -6.093 -2.752 448 HD13 LEU 54 3HD1 LEU 54 -9.249 -5.523 -1.123 449 HD21 LEU 54 1HD2 LEU 54 -7.081 -2.913 -2.725 450 HD22 LEU 54 2HD2 LEU 54 -8.655 -3.150 -1.966 451 HD23 LEU 54 3HD2 LEU 54 -8.313 -3.882 -3.534 452 H LEU 55 H LEU 55 -4.544 -4.940 1.451 453 HA LEU 55 HA LEU 55 -5.316 -3.171 3.525 454 HB2 LEU 55 1HB LEU 55 -3.448 -5.506 3.418 455 HB3 LEU 55 2HB LEU 55 -3.537 -4.506 4.852 456 HG LEU 55 HG LEU 55 -5.075 -6.022 5.486 457 HD11 LEU 55 1HD1 LEU 55 -6.318 -3.937 5.201 458 HD12 LEU 55 2HD1 LEU 55 -7.337 -5.361 4.986 459 HD13 LEU 55 3HD1 LEU 55 -6.787 -4.450 3.578 460 HD21 LEU 55 1HD2 LEU 55 -4.672 -7.514 3.613 461 HD22 LEU 55 2HD2 LEU 55 -5.738 -6.545 2.596 462 HD23 LEU 55 3HD2 LEU 55 -6.395 -7.419 3.982 463 H THR 56 H THR 56 -2.368 -3.500 1.656 464 HA THR 56 HA THR 56 -0.805 -1.726 3.223 465 HB THR 56 HB THR 56 -0.534 -2.338 0.278 466 HG1 THR 56 HG1 THR 56 -0.343 -4.278 1.244 467 HG21 THR 56 1HG2 THR 56 0.780 -0.403 1.032 468 HG22 THR 56 2HG2 THR 56 1.816 -1.771 0.618 469 HG23 THR 56 3HG2 THR 56 1.488 -1.393 2.309 470 H ALA 57 H ALA 57 -2.859 -1.336 0.377 471 HA ALA 57 HA ALA 57 -2.445 1.399 -0.032 472 HB1 ALA 57 1HB ALA 57 -4.845 -0.326 -0.607 473 HB2 ALA 57 2HB ALA 57 -3.534 0.091 -1.712 474 HB3 ALA 57 3HB ALA 57 -4.658 1.336 -1.168 475 H ALA 58 H ALA 58 -4.854 -0.329 1.922 476 HA ALA 58 HA ALA 58 -6.212 1.902 2.913 477 HB1 ALA 58 1HB ALA 58 -6.994 0.449 4.689 478 HB2 ALA 58 2HB ALA 58 -5.726 -0.723 4.314 479 HB3 ALA 58 3HB ALA 58 -7.010 -0.406 3.144 480 H GLU 59 H GLU 59 -3.353 0.219 4.145 481 HA GLU 59 HA GLU 59 -2.985 1.636 6.511 482 HB2 GLU 59 1HB GLU 59 -1.057 0.303 4.631 483 HB3 GLU 59 2HB GLU 59 -0.499 1.117 6.084 484 HG2 GLU 59 1HG GLU 59 -2.400 -1.200 5.940 485 HG3 GLU 59 2HG GLU 59 -0.726 -1.238 6.490 486 H LEU 60 H LEU 60 -1.543 2.268 3.323 487 HA LEU 60 HA LEU 60 -0.274 4.630 4.258 488 HB2 LEU 60 1HB LEU 60 -0.545 3.298 1.612 489 HB3 LEU 60 2HB LEU 60 -0.013 4.966 1.662 490 HG LEU 60 HG LEU 60 1.859 4.298 3.136 491 HD11 LEU 60 1HD1 LEU 60 0.918 2.328 4.165 492 HD12 LEU 60 2HD1 LEU 60 2.419 1.913 3.331 493 HD13 LEU 60 3HD1 LEU 60 0.865 1.507 2.602 494 HD21 LEU 60 1HD2 LEU 60 3.115 3.056 1.378 495 HD22 LEU 60 2HD2 LEU 60 2.300 4.517 0.818 496 HD23 LEU 60 3HD2 LEU 60 1.604 2.934 0.477 497 H LEU 61 H LEU 61 -3.373 4.005 2.737 498 HA LEU 61 HA LEU 61 -3.880 6.757 2.146 499 HB2 LEU 61 1HB LEU 61 -5.695 4.382 2.465 500 HB3 LEU 61 2HB LEU 61 -6.296 5.985 2.096 501 HG LEU 61 HG LEU 61 -4.389 4.397 0.381 502 HD11 LEU 61 1HD1 LEU 61 -6.343 4.321 -1.160 503 HD12 LEU 61 2HD1 LEU 61 -7.334 4.955 0.154 504 HD13 LEU 61 3HD1 LEU 61 -6.539 3.392 0.322 505 HD21 LEU 61 1HD2 LEU 61 -5.737 7.055 -0.080 506 HD22 LEU 61 2HD2 LEU 61 -4.815 6.155 -1.285 507 HD23 LEU 61 3HD2 LEU 61 -4.011 6.781 0.153 508 H LEU 62 H LEU 62 -4.064 4.808 4.975 509 HA LEU 62 HA LEU 62 -5.841 6.516 6.419 510 HB2 LEU 62 1HB LEU 62 -5.569 4.121 6.922 511 HB3 LEU 62 2HB LEU 62 -3.915 4.421 7.414 512 HG LEU 62 HG LEU 62 -4.702 5.798 9.281 513 HD11 LEU 62 1HD1 LEU 62 -7.093 5.849 9.839 514 HD12 LEU 62 2HD1 LEU 62 -7.456 5.049 8.308 515 HD13 LEU 62 3HD1 LEU 62 -6.747 6.664 8.314 516 HD21 LEU 62 1HD2 LEU 62 -5.696 3.996 10.607 517 HD22 LEU 62 2HD2 LEU 62 -4.349 3.417 9.625 518 HD23 LEU 62 3HD2 LEU 62 -6.008 3.086 9.129 519 H ASP 63 H ASP 63 -2.379 6.276 5.999 520 HA ASP 63 HA ASP 63 -2.000 8.396 7.993 521 HB2 ASP 63 1HB ASP 63 -0.643 6.342 8.242 522 HB3 ASP 63 2HB ASP 63 0.083 6.657 6.669 523 H TYR 64 H TYR 64 -1.254 7.576 4.651 524 HA TYR 64 HA TYR 64 -0.002 10.185 4.246 525 HB2 TYR 64 1HB TYR 64 -0.109 7.732 2.484 526 HB3 TYR 64 2HB TYR 64 0.751 9.213 2.092 527 HD1 TYR 64 HD1 TYR 64 2.886 9.686 3.052 528 HD2 TYR 64 HD2 TYR 64 0.679 6.282 4.295 529 HE1 TYR 64 HE1 TYR 64 4.880 8.819 4.184 530 HE2 TYR 64 HE2 TYR 64 2.658 5.397 5.431 531 HH TYR 64 HH TYR 64 5.419 7.256 6.027 532 H ASP 65 H ASP 65 -2.779 10.279 4.566 533 HA ASP 65 HA ASP 65 -4.066 10.133 1.996 534 HB2 ASP 65 1HB ASP 65 -6.056 10.946 3.155 535 HB3 ASP 65 2HB ASP 65 -5.310 9.622 4.039 536 H THR 66 H THR 66 -1.931 11.742 1.747 537 HA THR 66 HA THR 66 -1.125 13.768 1.166 538 HB THR 66 HB THR 66 -2.717 15.160 -0.255 539 HG1 THR 66 HG1 THR 66 -4.534 13.654 0.873 540 HG21 THR 66 1HG2 THR 66 -2.272 12.265 -0.958 541 HG22 THR 66 2HG2 THR 66 -1.123 13.578 -1.193 542 HG23 THR 66 3HG2 THR 66 -2.634 13.555 -2.103 543 H GLY 67 H GLY 67 -2.116 13.706 3.863 544 HA2 GLY 67 1HA GLY 67 -3.421 16.275 4.266 545 HA3 GLY 67 2HA GLY 67 -3.002 15.110 5.512 546 H CYS 68 H CYS 68 -0.879 16.419 3.052 547 HA CYS 68 HA CYS 68 1.101 17.511 3.133 548 HB2 CYS 68 1HB CYS 68 -0.172 18.758 5.565 549 HB3 CYS 68 2HB CYS 68 1.324 19.321 4.833 550 H GLU 69 H GLU 69 3.032 18.048 4.706 551 HA GLU 69 HA GLU 69 3.680 15.544 6.008 552 HB2 GLU 69 1HB GLU 69 5.339 18.027 5.528 553 HB3 GLU 69 2HB GLU 69 5.945 16.539 6.240 554 HG2 GLU 69 1HG GLU 69 5.415 15.339 4.176 555 HG3 GLU 69 2HG GLU 69 4.829 16.840 3.461 556 H1 GLY 1 1H GLY 1 1.517 9.705 11.354 557 H2 GLY 1 2H GLY 1 2.656 10.096 10.171 558 H3 GLY 1 3H GLY 1 3.116 10.025 11.797 559 HA2 GLY 1 2HA GLY 1 2.676 7.657 11.855 560 HA3 GLY 1 1HA GLY 1 2.188 7.731 10.167 561 HA PRO 2 HA PRO 2 6.555 6.445 9.978 562 HB2 PRO 2 1HB PRO 2 5.816 5.736 7.227 563 HB3 PRO 2 2HB PRO 2 6.503 4.725 8.497 564 HG2 PRO 2 1HG PRO 2 3.959 4.446 7.690 565 HG3 PRO 2 2HG PRO 2 4.444 4.190 9.377 566 HD2 PRO 2 1HD PRO 2 3.103 6.554 8.125 567 HD3 PRO 2 2HD PRO 2 2.800 5.787 9.697 568 H LYS 3 H LYS 3 7.971 8.023 9.675 569 HA LYS 3 HA LYS 3 7.692 9.733 7.298 570 HB2 LYS 3 1HB LYS 3 9.372 10.142 9.779 571 HB3 LYS 3 2HB LYS 3 9.259 11.256 8.428 572 HG2 LYS 3 1HG LYS 3 6.946 10.455 10.175 573 HG3 LYS 3 2HG LYS 3 7.905 11.917 10.389 574 HD2 LYS 3 1HD LYS 3 6.344 11.231 7.901 575 HD3 LYS 3 2HD LYS 3 5.773 12.298 9.181 576 HE2 LYS 3 1HE LYS 3 8.223 12.729 7.474 577 HE3 LYS 3 2HE LYS 3 6.685 13.567 7.306 578 HZ1 LYS 3 1HZ LYS 3 8.534 13.717 9.622 579 HZ2 LYS 3 2HZ LYS 3 7.003 14.432 9.578 580 HZ3 LYS 3 3HZ LYS 3 8.207 14.946 8.505 581 H THR 4 H THR 4 9.309 7.111 8.565 582 HA THR 4 HA THR 4 11.523 7.487 6.682 583 HB THR 4 HB THR 4 12.873 6.003 8.186 584 HG1 THR 4 HG1 THR 4 10.702 6.515 9.977 585 HG21 THR 4 1HG2 THR 4 13.192 8.412 8.208 586 HG22 THR 4 2HG2 THR 4 13.353 7.760 9.839 587 HG23 THR 4 3HG2 THR 4 11.872 8.595 9.364 588 H LEU 5 H LEU 5 12.527 5.403 6.007 589 HA LEU 5 HA LEU 5 10.644 3.914 4.598 590 HB2 LEU 5 1HB LEU 5 13.087 4.314 4.079 591 HB3 LEU 5 2HB LEU 5 13.466 3.072 5.249 592 HG LEU 5 HG LEU 5 13.398 2.511 2.712 593 HD11 LEU 5 1HD1 LEU 5 12.650 0.220 3.216 594 HD12 LEU 5 2HD1 LEU 5 12.085 0.778 4.793 595 HD13 LEU 5 3HD1 LEU 5 13.803 0.847 4.395 596 HD21 LEU 5 1HD2 LEU 5 10.483 2.298 3.430 597 HD22 LEU 5 2HD2 LEU 5 11.231 1.728 1.938 598 HD23 LEU 5 3HD2 LEU 5 11.192 3.453 2.301 599 H HIS 6 H HIS 6 12.613 2.957 7.398 600 HA HIS 6 HA HIS 6 11.692 0.361 7.666 601 HB2 HIS 6 1HB HIS 6 13.631 1.297 8.871 602 HB3 HIS 6 2HB HIS 6 12.539 2.233 9.877 603 HD1 HIS 6 HD1 HIS 6 13.030 1.145 12.099 604 HD2 HIS 6 HD2 HIS 6 12.034 -1.611 9.149 605 HE1 HIS 6 HE1 HIS 6 12.819 -1.070 13.272 606 HE2 HIS 6 HE2 HIS 6 12.262 -2.730 11.470 607 H GLU 7 H GLU 7 10.358 3.334 9.044 608 HA GLU 7 HA GLU 7 8.453 2.162 10.727 609 HB2 GLU 7 1HB GLU 7 8.410 4.804 9.278 610 HB3 GLU 7 2HB GLU 7 7.233 4.339 10.496 611 HG2 GLU 7 1HG GLU 7 9.018 4.178 12.149 612 HG3 GLU 7 2HG GLU 7 10.190 4.656 10.920 613 H LEU 8 H LEU 8 8.318 3.077 7.332 614 HA LEU 8 HA LEU 8 5.547 2.591 7.007 615 HB2 LEU 8 1HB LEU 8 7.060 3.995 5.543 616 HB3 LEU 8 2HB LEU 8 7.671 2.497 4.872 617 HG LEU 8 HG LEU 8 5.833 3.793 3.601 618 HD11 LEU 8 1HD1 LEU 8 4.826 1.685 2.808 619 HD12 LEU 8 2HD1 LEU 8 5.606 0.845 4.149 620 HD13 LEU 8 3HD1 LEU 8 6.586 1.618 2.902 621 HD21 LEU 8 1HD2 LEU 8 4.389 4.050 5.600 622 HD22 LEU 8 2HD2 LEU 8 4.097 2.311 5.558 623 HD23 LEU 8 3HD2 LEU 8 3.573 3.328 4.216 624 H LEU 9 H LEU 9 8.452 0.683 6.376 625 HA LEU 9 HA LEU 9 7.208 -1.606 5.357 626 HB2 LEU 9 1HB LEU 9 9.796 -1.090 6.758 627 HB3 LEU 9 2HB LEU 9 9.294 -2.741 6.475 628 HG LEU 9 HG LEU 9 10.869 -1.823 4.766 629 HD11 LEU 9 1HD1 LEU 9 9.640 -2.697 2.842 630 HD12 LEU 9 2HD1 LEU 9 8.147 -2.648 3.783 631 HD13 LEU 9 3HD1 LEU 9 9.459 -3.726 4.263 632 HD21 LEU 9 1HD2 LEU 9 10.030 -0.295 3.085 633 HD22 LEU 9 2HD2 LEU 9 9.986 0.458 4.679 634 HD23 LEU 9 3HD2 LEU 9 8.501 -0.152 3.952 635 H GLU 10 H GLU 10 7.887 -0.631 8.681 636 HA GLU 10 HA GLU 10 7.038 -3.005 9.927 637 HB2 GLU 10 1HB GLU 10 7.033 -0.162 10.940 638 HB3 GLU 10 2HB GLU 10 6.726 -1.570 11.947 639 HG2 GLU 10 1HG GLU 10 8.961 -2.413 11.441 640 HG3 GLU 10 2HG GLU 10 9.267 -0.991 10.442 641 H ARG 11 H ARG 11 5.287 -0.171 8.823 642 HA ARG 11 HA ARG 11 2.873 -0.772 10.187 643 HB2 ARG 11 1HB ARG 11 3.480 1.499 9.399 644 HB3 ARG 11 2HB ARG 11 3.273 0.950 7.740 645 HG2 ARG 11 1HG ARG 11 0.946 0.535 8.106 646 HG3 ARG 11 2HG ARG 11 1.106 0.907 9.822 647 HD2 ARG 11 1HD ARG 11 1.816 3.207 9.176 648 HD3 ARG 11 2HD ARG 11 1.444 2.794 7.502 649 HE ARG 11 HE ARG 11 -0.882 2.334 8.352 650 HH11 ARG 11 1HH1 ARG 11 1.226 4.574 10.055 651 HH12 ARG 11 2HH1 ARG 11 -0.079 5.565 10.619 652 HH21 ARG 11 1HH2 ARG 11 -2.584 3.641 9.104 653 HH22 ARG 11 2HH2 ARG 11 -2.248 5.028 10.090 654 H ILE 12 H ILE 12 4.018 -1.331 6.883 655 HA ILE 12 HA ILE 12 1.524 -2.562 6.127 656 HB ILE 12 HB ILE 12 2.540 -2.945 3.959 657 HG12 ILE 12 1HG1 ILE 12 5.070 -1.763 5.131 658 HG13 ILE 12 2HG1 ILE 12 4.840 -3.471 4.771 659 HG21 ILE 12 1HG2 ILE 12 2.997 -0.580 3.394 660 HG22 ILE 12 2HG2 ILE 12 3.065 -0.214 5.119 661 HG23 ILE 12 3HG2 ILE 12 1.559 -0.789 4.397 662 HD11 ILE 12 1HD1 ILE 12 4.528 -2.922 2.407 663 HD12 ILE 12 2HD1 ILE 12 6.097 -2.389 3.015 664 HD13 ILE 12 3HD1 ILE 12 4.798 -1.219 2.782 665 H GLY 13 H GLY 13 4.401 -3.594 7.619 666 HA2 GLY 13 1HA GLY 13 4.445 -5.656 8.773 667 HA3 GLY 13 2HA GLY 13 3.292 -6.301 7.620 668 H LEU 14 H LEU 14 6.083 -4.567 6.514 669 HA LEU 14 HA LEU 14 7.317 -7.125 5.754 670 HB2 LEU 14 1HB LEU 14 7.014 -4.612 4.142 671 HB3 LEU 14 2HB LEU 14 8.267 -5.781 3.786 672 HG LEU 14 HG LEU 14 6.570 -6.345 2.310 673 HD11 LEU 14 1HD1 LEU 14 7.389 -8.270 3.587 674 HD12 LEU 14 2HD1 LEU 14 5.735 -8.483 3.013 675 HD13 LEU 14 3HD1 LEU 14 6.035 -8.081 4.703 676 HD21 LEU 14 1HD2 LEU 14 4.816 -4.934 3.145 677 HD22 LEU 14 2HD2 LEU 14 4.601 -5.979 4.551 678 HD23 LEU 14 3HD2 LEU 14 4.213 -6.577 2.937 679 H GLU 15 H GLU 15 7.772 -5.440 8.090 680 HA GLU 15 HA GLU 15 10.139 -3.973 7.857 681 HB2 GLU 15 1HB GLU 15 10.407 -4.362 10.289 682 HB3 GLU 15 2HB GLU 15 8.806 -3.796 9.847 683 HG2 GLU 15 1HG GLU 15 7.910 -6.021 10.075 684 HG3 GLU 15 2HG GLU 15 9.521 -6.666 10.390 685 H GLU 16 H GLU 16 9.566 -7.348 7.807 686 HA GLU 16 HA GLU 16 12.103 -8.327 8.504 687 HB2 GLU 16 1HB GLU 16 11.433 -10.352 7.297 688 HB3 GLU 16 2HB GLU 16 10.137 -9.764 8.326 689 HG2 GLU 16 1HG GLU 16 9.141 -8.672 6.311 690 HG3 GLU 16 2HG GLU 16 10.362 -9.491 5.340 691 H HIS 17 H HIS 17 10.984 -6.675 5.699 692 HA HIS 17 HA HIS 17 13.380 -7.502 4.210 693 HB2 HIS 17 1HB HIS 17 10.687 -6.554 3.286 694 HB3 HIS 17 2HB HIS 17 12.087 -6.482 2.228 695 HD1 HIS 17 HD1 HIS 17 13.409 -9.046 2.290 696 HD2 HIS 17 HD2 HIS 17 9.288 -8.807 2.829 697 HE1 HIS 17 HE1 HIS 17 12.515 -11.313 1.692 698 HE2 HIS 17 HE2 HIS 17 10.038 -11.194 2.116 699 H THR 18 H THR 18 12.490 -5.088 6.176 700 HA THR 18 HA THR 18 12.895 -2.703 4.841 701 HB THR 18 HB THR 18 13.976 -3.286 7.593 702 HG1 THR 18 HG1 THR 18 11.928 -3.700 7.979 703 HG21 THR 18 1HG2 THR 18 14.678 -1.160 6.588 704 HG22 THR 18 2HG2 THR 18 13.602 -0.906 7.963 705 HG23 THR 18 3HG2 THR 18 12.986 -0.737 6.318 706 H SER 19 H SER 19 15.322 -4.823 6.313 707 HA SER 19 HA SER 19 17.563 -3.255 5.757 708 HB2 SER 19 1HB SER 19 17.484 -6.267 5.885 709 HB3 SER 19 2HB SER 19 18.847 -5.214 6.252 710 HG SER 19 HG SER 19 17.402 -4.311 7.938 711 H THR 20 H THR 20 15.933 -5.752 3.864 712 HA THR 20 HA THR 20 17.716 -5.982 1.745 713 HB THR 20 HB THR 20 14.697 -6.060 1.573 714 HG1 THR 20 HG1 THR 20 16.622 -7.956 2.436 715 HG21 THR 20 1HG2 THR 20 16.822 -7.365 -0.129 716 HG22 THR 20 2HG2 THR 20 15.810 -5.998 -0.603 717 HG23 THR 20 3HG2 THR 20 15.080 -7.579 -0.308 718 H LEU 21 H LEU 21 14.934 -3.796 2.102 719 HA LEU 21 HA LEU 21 15.357 -2.329 -0.256 720 HB2 LEU 21 1HB LEU 21 13.966 -1.740 2.336 721 HB3 LEU 21 2HB LEU 21 14.137 -0.485 1.135 722 HG LEU 21 HG LEU 21 12.008 -1.316 0.749 723 HD11 LEU 21 1HD1 LEU 21 13.360 -1.230 -1.301 724 HD12 LEU 21 2HD1 LEU 21 12.054 -2.413 -1.382 725 HD13 LEU 21 3HD1 LEU 21 13.712 -2.948 -1.112 726 HD21 LEU 21 1HD2 LEU 21 12.123 -3.239 2.228 727 HD22 LEU 21 2HD2 LEU 21 13.078 -4.114 1.032 728 HD23 LEU 21 3HD2 LEU 21 11.408 -3.672 0.675 729 H LEU 22 H LEU 22 16.274 -1.652 3.085 730 HA LEU 22 HA LEU 22 17.537 0.774 2.805 731 HB2 LEU 22 1HB LEU 22 17.001 -0.505 4.908 732 HB3 LEU 22 2HB LEU 22 18.437 -1.463 4.610 733 HG LEU 22 HG LEU 22 19.757 0.686 4.696 734 HD11 LEU 22 1HD1 LEU 22 17.133 1.712 5.756 735 HD12 LEU 22 2HD1 LEU 22 17.983 2.262 4.314 736 HD13 LEU 22 3HD1 LEU 22 18.677 2.550 5.909 737 HD21 LEU 22 1HD2 LEU 22 19.698 -0.920 6.533 738 HD22 LEU 22 2HD2 LEU 22 18.248 -0.144 7.168 739 HD23 LEU 22 3HD2 LEU 22 19.776 0.736 7.132 740 H LEU 23 H LEU 23 19.004 -2.451 2.551 741 HA LEU 23 HA LEU 23 21.647 -1.561 2.145 742 HB2 LEU 23 1HB LEU 23 20.327 -4.155 1.364 743 HB3 LEU 23 2HB LEU 23 22.053 -3.870 1.355 744 HG LEU 23 HG LEU 23 20.280 -3.827 3.796 745 HD11 LEU 23 1HD1 LEU 23 20.556 -6.064 2.914 746 HD12 LEU 23 2HD1 LEU 23 21.475 -5.875 4.408 747 HD13 LEU 23 3HD1 LEU 23 22.305 -5.846 2.852 748 HD21 LEU 23 1HD2 LEU 23 23.271 -3.546 3.527 749 HD22 LEU 23 2HD2 LEU 23 22.386 -3.697 5.046 750 HD23 LEU 23 3HD2 LEU 23 22.142 -2.284 4.019 751 H ASN 24 H ASN 24 18.988 -2.177 -0.043 752 HA ASN 24 HA ASN 24 20.751 -2.002 -2.343 753 HB2 ASN 24 1HB ASN 24 17.884 -2.786 -1.985 754 HB3 ASN 24 2HB ASN 24 18.523 -2.421 -3.584 755 HD21 ASN 24 1HD2 ASN 24 18.540 -4.623 -0.924 756 HD22 ASN 24 2HD2 ASN 24 19.448 -5.881 -1.699 757 H GLY 25 H GLY 25 19.660 0.251 -0.457 758 HA2 GLY 25 1HA GLY 25 20.226 2.481 -1.131 759 HA3 GLY 25 2HA GLY 25 19.603 2.116 -2.730 760 H TYR 26 H TYR 26 17.384 0.760 -0.867 761 HA TYR 26 HA TYR 26 15.642 3.074 -1.052 762 HB2 TYR 26 1HB TYR 26 15.095 0.207 -0.295 763 HB3 TYR 26 2HB TYR 26 13.860 1.453 -0.455 764 HD1 TYR 26 HD1 TYR 26 15.805 -1.019 -2.142 765 HD2 TYR 26 HD2 TYR 26 13.617 2.579 -2.723 766 HE1 TYR 26 HE1 TYR 26 15.658 -1.505 -4.545 767 HE2 TYR 26 HE2 TYR 26 13.455 2.103 -5.125 768 HH TYR 26 HH TYR 26 14.762 0.792 -6.818 769 H GLN 27 H GLN 27 16.771 4.244 0.565 770 HA GLN 27 HA GLN 27 16.661 3.162 3.273 771 HB2 GLN 27 1HB GLN 27 18.061 5.634 2.259 772 HB3 GLN 27 2HB GLN 27 18.273 4.876 3.831 773 HG2 GLN 27 1HG GLN 27 19.187 2.886 2.741 774 HG3 GLN 27 2HG GLN 27 18.971 3.653 1.174 775 HE21 GLN 27 1HE2 GLN 27 20.823 3.602 4.107 776 HE22 GLN 27 2HE2 GLN 27 22.125 4.581 3.537 777 H THR 28 H THR 28 15.154 5.413 1.219 778 HA THR 28 HA THR 28 13.670 6.494 3.515 779 HB THR 28 HB THR 28 13.482 8.644 2.399 780 HG1 THR 28 HG1 THR 28 15.226 7.558 0.407 781 HG21 THR 28 1HG2 THR 28 15.385 8.380 3.869 782 HG22 THR 28 2HG2 THR 28 15.855 9.359 2.478 783 HG23 THR 28 3HG2 THR 28 16.330 7.660 2.565 784 H LEU 29 H LEU 29 11.546 7.413 2.839 785 HA LEU 29 HA LEU 29 10.049 5.606 1.253 786 HB2 LEU 29 1HB LEU 29 9.355 8.405 2.154 787 HB3 LEU 29 2HB LEU 29 8.216 7.201 1.574 788 HG LEU 29 HG LEU 29 9.873 6.967 4.088 789 HD11 LEU 29 1HD1 LEU 29 8.147 8.680 4.275 790 HD12 LEU 29 2HD1 LEU 29 7.765 7.273 5.269 791 HD13 LEU 29 3HD1 LEU 29 6.933 7.522 3.732 792 HD21 LEU 29 1HD2 LEU 29 7.673 5.207 3.029 793 HD22 LEU 29 2HD2 LEU 29 8.532 5.008 4.556 794 HD23 LEU 29 3HD2 LEU 29 9.392 4.816 3.028 795 H GLU 30 H GLU 30 11.829 8.478 0.619 796 HA GLU 30 HA GLU 30 10.678 9.123 -1.897 797 HB2 GLU 30 1HB GLU 30 13.354 9.836 -0.697 798 HB3 GLU 30 2HB GLU 30 12.706 10.534 -2.177 799 HG2 GLU 30 1HG GLU 30 10.798 11.415 -0.908 800 HG3 GLU 30 2HG GLU 30 11.490 10.749 0.569 801 H ASP 31 H ASP 31 13.109 6.899 -0.817 802 HA ASP 31 HA ASP 31 13.991 6.268 -3.500 803 HB2 ASP 31 1HB ASP 31 14.430 4.769 -0.906 804 HB3 ASP 31 2HB ASP 31 15.230 4.430 -2.433 805 H PHE 32 H PHE 32 11.958 4.867 -1.002 806 HA PHE 32 HA PHE 32 11.451 2.417 -2.276 807 HB2 PHE 32 1HB PHE 32 11.153 2.950 0.160 808 HB3 PHE 32 2HB PHE 32 9.677 3.802 -0.268 809 HD1 PHE 32 HD1 PHE 32 11.245 0.559 0.205 810 HD2 PHE 32 HD2 PHE 32 7.735 2.566 -1.097 811 HE1 PHE 32 HE1 PHE 32 9.984 -1.547 0.368 812 HE2 PHE 32 HE2 PHE 32 6.468 0.470 -0.934 813 HZ PHE 32 HZ PHE 32 7.588 -1.589 -0.199 814 H LYS 33 H LYS 33 9.976 5.548 -2.690 815 HA LYS 33 HA LYS 33 7.538 4.652 -3.799 816 HB2 LYS 33 1HB LYS 33 7.383 6.944 -4.755 817 HB3 LYS 33 2HB LYS 33 7.687 6.904 -3.026 818 HG2 LYS 33 1HG LYS 33 9.978 7.463 -3.342 819 HG3 LYS 33 2HG LYS 33 9.837 7.280 -5.090 820 HD2 LYS 33 1HD LYS 33 9.841 9.630 -4.457 821 HD3 LYS 33 2HD LYS 33 8.299 9.172 -5.173 822 HE2 LYS 33 1HE LYS 33 7.306 9.013 -2.946 823 HE3 LYS 33 2HE LYS 33 8.851 9.440 -2.219 824 HZ1 LYS 33 1HZ LYS 33 7.391 11.358 -2.364 825 HZ2 LYS 33 2HZ LYS 33 7.262 11.169 -4.037 826 HZ3 LYS 33 3HZ LYS 33 8.748 11.581 -3.349 827 H GLU 34 H GLU 34 10.667 4.447 -5.008 828 HA GLU 34 HA GLU 34 9.668 4.178 -7.761 829 HB2 GLU 34 1HB GLU 34 12.498 4.506 -6.761 830 HB3 GLU 34 2HB GLU 34 12.038 4.311 -8.446 831 HG2 GLU 34 1HG GLU 34 10.672 6.387 -8.227 832 HG3 GLU 34 2HG GLU 34 11.371 6.601 -6.624 833 H LEU 35 H LEU 35 9.906 2.374 -5.208 834 HA LEU 35 HA LEU 35 11.445 0.133 -6.045 835 HB2 LEU 35 1HB LEU 35 10.949 0.680 -3.696 836 HB3 LEU 35 2HB LEU 35 9.249 0.402 -3.987 837 HG LEU 35 HG LEU 35 10.574 -1.393 -2.757 838 HD11 LEU 35 1HD1 LEU 35 9.011 -2.223 -5.190 839 HD12 LEU 35 2HD1 LEU 35 8.303 -1.672 -3.671 840 HD13 LEU 35 3HD1 LEU 35 9.251 -3.158 -3.714 841 HD21 LEU 35 1HD2 LEU 35 11.746 -3.004 -4.154 842 HD22 LEU 35 2HD2 LEU 35 12.508 -1.415 -4.238 843 HD23 LEU 35 3HD2 LEU 35 11.490 -1.977 -5.565 844 H ARG 36 H ARG 36 10.894 -1.435 -7.412 845 HA ARG 36 HA ARG 36 8.072 -1.678 -8.187 846 HB2 ARG 36 1HB ARG 36 10.480 -1.844 -10.000 847 HB3 ARG 36 2HB ARG 36 8.824 -2.159 -10.491 848 HG2 ARG 36 1HG ARG 36 9.931 0.466 -9.519 849 HG3 ARG 36 2HG ARG 36 9.490 0.054 -11.177 850 HD2 ARG 36 1HD ARG 36 7.163 -0.281 -10.450 851 HD3 ARG 36 2HD ARG 36 7.624 0.194 -8.818 852 HE ARG 36 HE ARG 36 8.395 2.250 -10.526 853 HH11 ARG 36 1HH1 ARG 36 5.458 0.697 -9.454 854 HH12 ARG 36 2HH1 ARG 36 4.473 2.115 -9.618 855 HH21 ARG 36 1HH2 ARG 36 7.116 4.142 -10.745 856 HH22 ARG 36 2HH2 ARG 36 5.424 4.083 -10.356 857 H GLU 37 H GLU 37 7.609 -3.807 -9.311 858 HA GLU 37 HA GLU 37 8.339 -5.877 -7.535 859 HB2 GLU 37 1HB GLU 37 6.194 -5.813 -8.776 860 HB3 GLU 37 2HB GLU 37 7.073 -6.136 -10.265 861 HG2 GLU 37 1HG GLU 37 7.830 -8.268 -9.355 862 HG3 GLU 37 2HG GLU 37 6.939 -7.947 -7.870 863 H THR 38 H THR 38 9.398 -4.980 -10.761 864 HA THR 38 HA THR 38 11.081 -7.126 -11.328 865 HB THR 38 HB THR 38 11.672 -4.243 -12.003 866 HG1 THR 38 HG1 THR 38 10.008 -4.261 -13.307 867 HG21 THR 38 1HG2 THR 38 13.426 -5.858 -12.565 868 HG22 THR 38 2HG2 THR 38 12.678 -5.188 -14.015 869 HG23 THR 38 3HG2 THR 38 12.253 -6.812 -13.475 870 H HIS 39 H HIS 39 11.439 -4.411 -9.197 871 HA HIS 39 HA HIS 39 14.269 -4.710 -8.815 872 HB2 HIS 39 1HB HIS 39 12.243 -3.186 -7.161 873 HB3 HIS 39 2HB HIS 39 13.991 -3.042 -7.028 874 HD1 HIS 39 HD1 HIS 39 13.110 -0.429 -7.504 875 HD2 HIS 39 HD2 HIS 39 13.224 -3.093 -10.691 876 HE1 HIS 39 HE1 HIS 39 12.930 0.983 -9.571 877 HE2 HIS 39 HE2 HIS 39 13.242 -0.629 -11.482 878 H LEU 40 H LEU 40 11.314 -5.706 -7.211 879 HA LEU 40 HA LEU 40 12.475 -6.871 -4.925 880 HB2 LEU 40 1HB LEU 40 9.875 -7.009 -6.310 881 HB3 LEU 40 2HB LEU 40 10.274 -8.392 -5.310 882 HG LEU 40 HG LEU 40 10.366 -7.076 -3.347 883 HD11 LEU 40 1HD1 LEU 40 10.336 -4.709 -3.281 884 HD12 LEU 40 2HD1 LEU 40 10.042 -4.608 -5.017 885 HD13 LEU 40 3HD1 LEU 40 11.593 -5.192 -4.419 886 HD21 LEU 40 1HD2 LEU 40 8.120 -7.566 -4.015 887 HD22 LEU 40 2HD2 LEU 40 8.084 -6.165 -5.082 888 HD23 LEU 40 3HD2 LEU 40 8.169 -5.942 -3.335 889 H ASN 41 H ASN 41 11.924 -8.069 -8.177 890 HA ASN 41 HA ASN 41 12.687 -10.729 -7.807 891 HB2 ASN 41 1HB ASN 41 13.235 -8.908 -10.162 892 HB3 ASN 41 2HB ASN 41 13.463 -10.651 -10.181 893 HD21 ASN 41 1HD2 ASN 41 11.801 -9.151 -11.901 894 HD22 ASN 41 2HD2 ASN 41 10.168 -9.668 -11.642 895 H GLU 42 H GLU 42 14.579 -7.819 -8.284 896 HA GLU 42 HA GLU 42 17.126 -9.082 -8.282 897 HB2 GLU 42 1HB GLU 42 16.338 -6.219 -7.728 898 HB3 GLU 42 2HB GLU 42 17.971 -6.779 -8.050 899 HG2 GLU 42 1HG GLU 42 15.662 -6.985 -9.963 900 HG3 GLU 42 2HG GLU 42 16.910 -5.743 -10.002 901 H LEU 43 H LEU 43 15.059 -7.654 -5.851 902 HA LEU 43 HA LEU 43 17.021 -7.749 -3.754 903 HB2 LEU 43 1HB LEU 43 14.038 -7.413 -3.520 904 HB3 LEU 43 2HB LEU 43 15.242 -6.974 -2.329 905 HG LEU 43 HG LEU 43 14.816 -5.657 -5.003 906 HD11 LEU 43 1HD1 LEU 43 13.139 -5.141 -3.286 907 HD12 LEU 43 2HD1 LEU 43 14.120 -3.745 -3.729 908 HD13 LEU 43 3HD1 LEU 43 14.431 -4.599 -2.216 909 HD21 LEU 43 1HD2 LEU 43 17.174 -5.700 -4.436 910 HD22 LEU 43 2HD2 LEU 43 16.814 -5.031 -2.843 911 HD23 LEU 43 3HD2 LEU 43 16.519 -4.068 -4.292 912 H ASN 44 H ASN 44 15.320 -10.077 -5.283 913 HA ASN 44 HA ASN 44 14.961 -12.283 -4.918 914 HB2 ASN 44 1HB ASN 44 17.209 -11.978 -3.654 915 HB3 ASN 44 2HB ASN 44 16.225 -12.078 -2.200 916 HD21 ASN 44 1HD2 ASN 44 15.216 -14.038 -1.685 917 HD22 ASN 44 2HD2 ASN 44 15.695 -15.527 -2.423 918 H ILE 45 H ILE 45 13.236 -10.060 -3.846 919 HA ILE 45 HA ILE 45 11.827 -11.389 -1.679 920 HB ILE 45 HB ILE 45 11.104 -8.833 -3.117 921 HG12 ILE 45 1HG1 ILE 45 12.498 -9.222 -0.461 922 HG13 ILE 45 2HG1 ILE 45 13.296 -8.732 -1.949 923 HG21 ILE 45 1HG2 ILE 45 9.667 -8.420 -1.166 924 HG22 ILE 45 2HG2 ILE 45 10.108 -10.000 -0.517 925 HG23 ILE 45 3HG2 ILE 45 9.197 -9.888 -2.024 926 HD11 ILE 45 1HD1 ILE 45 11.135 -7.182 -0.544 927 HD12 ILE 45 2HD1 ILE 45 12.016 -6.681 -1.988 928 HD13 ILE 45 3HD1 ILE 45 12.865 -6.852 -0.451 929 H MET 46 H MET 46 11.410 -13.256 -2.978 930 HA MET 46 HA MET 46 9.648 -13.016 -5.253 931 HB2 MET 46 1HB MET 46 10.511 -15.512 -3.790 932 HB3 MET 46 2HB MET 46 9.841 -15.418 -5.411 933 HG2 MET 46 1HG MET 46 12.378 -13.985 -4.783 934 HG3 MET 46 2HG MET 46 12.402 -15.723 -5.038 935 HE1 MET 46 1HE MET 46 11.496 -12.501 -8.199 936 HE2 MET 46 2HE MET 46 11.802 -12.233 -6.480 937 HE3 MET 46 3HE MET 46 10.242 -12.860 -7.016 938 H ASP 47 H ASP 47 9.359 -13.073 -1.963 939 HA ASP 47 HA ASP 47 7.089 -14.441 -1.255 940 HB2 ASP 47 1HB ASP 47 7.871 -11.640 -0.448 941 HB3 ASP 47 2HB ASP 47 6.759 -12.671 0.433 942 HA PRO 48 HA PRO 48 4.475 -12.593 -4.411 943 HB2 PRO 48 1HB PRO 48 2.384 -14.261 -3.164 944 HB3 PRO 48 2HB PRO 48 2.951 -14.221 -4.832 945 HG2 PRO 48 1HG PRO 48 3.575 -16.246 -3.220 946 HG3 PRO 48 2HG PRO 48 4.728 -15.623 -4.409 947 HD2 PRO 48 1HD PRO 48 4.612 -15.157 -1.459 948 HD3 PRO 48 2HD PRO 48 6.020 -15.440 -2.503 949 H GLN 49 H GLN 49 2.970 -13.092 -1.195 950 HA GLN 49 HA GLN 49 1.152 -10.923 -1.568 951 HB2 GLN 49 1HB GLN 49 1.932 -12.557 0.833 952 HB3 GLN 49 2HB GLN 49 0.834 -11.194 0.960 953 HG2 GLN 49 1HG GLN 49 -0.696 -12.254 -0.598 954 HG3 GLN 49 2HG GLN 49 0.411 -13.611 -0.781 955 HE21 GLN 49 1HE2 GLN 49 -1.880 -12.038 1.285 956 HE22 GLN 49 2HE2 GLN 49 -2.034 -13.322 2.428 957 H HIS 50 H HIS 50 4.274 -11.335 -0.074 958 HA HIS 50 HA HIS 50 4.364 -8.823 1.230 959 HB2 HIS 50 1HB HIS 50 6.600 -10.594 0.261 960 HB3 HIS 50 2HB HIS 50 6.817 -9.215 1.322 961 HD1 HIS 50 HD1 HIS 50 7.787 -11.787 2.474 962 HD2 HIS 50 HD2 HIS 50 3.799 -10.625 2.769 963 HE1 HIS 50 HE1 HIS 50 6.869 -12.998 4.471 964 HE2 HIS 50 HE2 HIS 50 4.447 -12.332 4.604 965 H ARG 51 H ARG 51 5.518 -9.961 -1.915 966 HA ARG 51 HA ARG 51 6.462 -7.608 -3.018 967 HB2 ARG 51 1HB ARG 51 4.901 -9.894 -4.212 968 HB3 ARG 51 2HB ARG 51 5.458 -8.550 -5.195 969 HG2 ARG 51 1HG ARG 51 7.690 -9.128 -4.937 970 HG3 ARG 51 2HG ARG 51 7.368 -10.108 -3.505 971 HD2 ARG 51 1HD ARG 51 7.872 -11.430 -5.554 972 HD3 ARG 51 2HD ARG 51 6.318 -11.802 -4.818 973 HE ARG 51 HE ARG 51 5.893 -9.861 -6.780 974 HH11 ARG 51 1HH1 ARG 51 6.923 -13.204 -6.565 975 HH12 ARG 51 2HH1 ARG 51 6.282 -13.631 -8.118 976 HH21 ARG 51 1HH2 ARG 51 5.031 -10.424 -8.818 977 HH22 ARG 51 2HH2 ARG 51 5.215 -12.054 -9.400 978 H ALA 52 H ALA 52 3.180 -8.886 -3.063 979 HA ALA 52 HA ALA 52 1.892 -6.900 -4.442 980 HB1 ALA 52 1HB ALA 52 0.811 -8.519 -2.143 981 HB2 ALA 52 2HB ALA 52 0.932 -9.069 -3.812 982 HB3 ALA 52 3HB ALA 52 -0.137 -7.732 -3.401 983 H LYS 53 H LYS 53 2.526 -7.064 -0.951 984 HA LYS 53 HA LYS 53 1.214 -4.628 -0.329 985 HB2 LYS 53 1HB LYS 53 3.468 -5.907 1.217 986 HB3 LYS 53 2HB LYS 53 2.266 -4.780 1.830 987 HG2 LYS 53 1HG LYS 53 0.559 -6.568 1.109 988 HG3 LYS 53 2HG LYS 53 1.949 -7.654 1.087 989 HD2 LYS 53 1HD LYS 53 1.150 -7.957 3.230 990 HD3 LYS 53 2HD LYS 53 2.362 -6.702 3.484 991 HE2 LYS 53 1HE LYS 53 0.677 -4.993 3.502 992 HE3 LYS 53 2HE LYS 53 -0.565 -6.162 3.043 993 HZ1 LYS 53 1HZ LYS 53 -0.679 -5.709 5.390 994 HZ2 LYS 53 2HZ LYS 53 0.951 -6.113 5.596 995 HZ3 LYS 53 3HZ LYS 53 -0.169 -7.306 5.159 996 H LEU 54 H LEU 54 4.637 -5.434 -0.815 997 HA LEU 54 HA LEU 54 5.738 -2.949 -0.289 998 HB2 LEU 54 1HB LEU 54 6.628 -5.110 -2.185 999 HB3 LEU 54 2HB LEU 54 7.609 -3.715 -1.783 1000 HG LEU 54 HG LEU 54 6.608 -5.694 0.260 1001 HD11 LEU 54 1HD1 LEU 54 8.081 -6.835 -1.275 1002 HD12 LEU 54 2HD1 LEU 54 8.905 -6.565 0.262 1003 HD13 LEU 54 3HD1 LEU 54 9.274 -5.544 -1.130 1004 HD21 LEU 54 1HD2 LEU 54 7.120 -3.512 1.176 1005 HD22 LEU 54 2HD2 LEU 54 8.692 -3.521 0.375 1006 HD23 LEU 54 3HD2 LEU 54 8.350 -4.680 1.661 1007 H LEU 55 H LEU 55 4.568 -4.221 -3.409 1008 HA LEU 55 HA LEU 55 5.338 -1.922 -4.874 1009 HB2 LEU 55 1HB LEU 55 3.463 -4.183 -5.451 1010 HB3 LEU 55 2HB LEU 55 3.554 -2.807 -6.530 1011 HG LEU 55 HG LEU 55 5.084 -4.077 -7.583 1012 HD11 LEU 55 1HD1 LEU 55 6.332 -2.171 -6.710 1013 HD12 LEU 55 2HD1 LEU 55 7.350 -3.598 -6.920 1014 HD13 LEU 55 3HD1 LEU 55 6.805 -3.133 -5.307 1015 HD21 LEU 55 1HD2 LEU 55 4.681 -6.051 -6.226 1016 HD22 LEU 55 2HD2 LEU 55 5.754 -5.424 -4.975 1017 HD23 LEU 55 3HD2 LEU 55 6.403 -5.857 -6.557 1018 H THR 56 H THR 56 2.394 -2.782 -3.173 1019 HA THR 56 HA THR 56 0.832 -0.624 -4.146 1020 HB THR 56 HB THR 56 0.568 -2.069 -1.507 1021 HG1 THR 56 HG1 THR 56 0.368 -3.642 -2.995 1022 HG21 THR 56 1HG2 THR 56 -0.739 0.004 -1.660 1023 HG22 THR 56 2HG2 THR 56 -1.781 -1.421 -1.659 1024 HG23 THR 56 3HG2 THR 56 -1.456 -0.569 -3.168 1025 H ALA 57 H ALA 57 2.894 -1.087 -1.317 1026 HA ALA 57 HA ALA 57 2.490 1.409 -0.127 1027 HB1 ALA 57 1HB ALA 57 4.890 -0.411 -0.085 1028 HB2 ALA 57 2HB ALA 57 3.579 -0.336 1.096 1029 HB3 ALA 57 3HB ALA 57 4.705 1.014 0.937 1030 H ALA 58 H ALA 58 4.885 0.325 -2.512 1031 HA ALA 58 HA ALA 58 6.252 2.744 -2.807 1032 HB1 ALA 58 1HB ALA 58 7.025 1.873 -4.933 1033 HB2 ALA 58 2HB ALA 58 5.756 0.645 -4.911 1034 HB3 ALA 58 3HB ALA 58 7.044 0.606 -3.705 1035 H GLU 59 H GLU 59 3.390 1.501 -4.473 1036 HA GLU 59 HA GLU 59 3.018 3.554 -6.314 1037 HB2 GLU 59 1HB GLU 59 1.094 1.724 -4.908 1038 HB3 GLU 59 2HB GLU 59 0.533 2.930 -6.055 1039 HG2 GLU 59 1HG GLU 59 2.436 0.675 -6.609 1040 HG3 GLU 59 2HG GLU 59 0.760 0.800 -7.136 1041 H LEU 60 H LEU 60 1.585 3.222 -3.074 1042 HA LEU 60 HA LEU 60 0.317 5.754 -3.275 1043 HB2 LEU 60 1HB LEU 60 0.591 3.709 -1.135 1044 HB3 LEU 60 2HB LEU 60 0.064 5.321 -0.694 1045 HG LEU 60 HG LEU 60 -1.813 5.117 -2.295 1046 HD11 LEU 60 1HD1 LEU 60 -0.880 3.534 -3.859 1047 HD12 LEU 60 2HD1 LEU 60 -2.378 2.892 -3.178 1048 HD13 LEU 60 3HD1 LEU 60 -0.821 2.291 -2.607 1049 HD21 LEU 60 1HD2 LEU 60 -3.069 3.418 -0.976 1050 HD22 LEU 60 2HD2 LEU 60 -2.251 4.649 -0.014 1051 HD23 LEU 60 3HD2 LEU 60 -1.558 3.034 -0.152 1052 H LEU 61 H LEU 61 3.420 4.711 -2.016 1053 HA LEU 61 HA LEU 61 3.936 7.167 -0.645 1054 HB2 LEU 61 1HB LEU 61 5.742 4.985 -1.652 1055 HB3 LEU 61 2HB LEU 61 6.350 6.407 -0.831 1056 HG LEU 61 HG LEU 61 4.442 4.393 0.350 1057 HD11 LEU 61 1HD1 LEU 61 6.400 3.867 1.798 1058 HD12 LEU 61 2HD1 LEU 61 7.390 4.854 0.722 1059 HD13 LEU 61 3HD1 LEU 61 6.589 3.408 0.111 1060 HD21 LEU 61 1HD2 LEU 61 5.799 6.796 1.564 1061 HD22 LEU 61 2HD2 LEU 61 4.876 5.587 2.456 1062 HD23 LEU 61 3HD2 LEU 61 4.070 6.606 1.267 1063 H LEU 62 H LEU 62 4.106 6.133 -3.921 1064 HA LEU 62 HA LEU 62 5.885 8.186 -4.809 1065 HB2 LEU 62 1HB LEU 62 5.609 6.045 -5.990 1066 HB3 LEU 62 2HB LEU 62 3.953 6.474 -6.366 1067 HG LEU 62 HG LEU 62 4.734 8.338 -7.752 1068 HD11 LEU 62 1HD1 LEU 62 7.123 8.548 -8.279 1069 HD12 LEU 62 2HD1 LEU 62 7.489 7.336 -7.051 1070 HD13 LEU 62 3HD1 LEU 62 6.784 8.884 -6.582 1071 HD21 LEU 62 1HD2 LEU 62 5.723 7.001 -9.551 1072 HD22 LEU 62 2HD2 LEU 62 4.375 6.166 -8.779 1073 HD23 LEU 62 3HD2 LEU 62 6.033 5.697 -8.405 1074 H ASP 63 H ASP 63 2.428 7.839 -4.457 1075 HA ASP 63 HA ASP 63 2.049 10.447 -5.748 1076 HB2 ASP 63 1HB ASP 63 0.693 8.548 -6.578 1077 HB3 ASP 63 2HB ASP 63 -0.036 8.405 -4.981 1078 H TYR 64 H TYR 64 1.305 8.688 -2.791 1079 HA TYR 64 HA TYR 64 0.063 11.068 -1.636 1080 HB2 TYR 64 1HB TYR 64 0.167 8.208 -0.669 1081 HB3 TYR 64 2HB TYR 64 -0.689 9.512 0.142 1082 HD1 TYR 64 HD1 TYR 64 -2.824 10.249 -0.634 1083 HD2 TYR 64 HD2 TYR 64 -0.628 7.351 -2.821 1084 HE1 TYR 64 HE1 TYR 64 -4.823 9.756 -1.967 1085 HE2 TYR 64 HE2 TYR 64 -2.611 6.841 -4.163 1086 HH TYR 64 HH TYR 64 -5.369 8.802 -4.182 1087 H ASP 65 H ASP 65 2.841 11.253 -1.926 1088 HA ASP 65 HA ASP 65 4.127 10.352 0.488 1089 HB2 ASP 65 1HB ASP 65 6.122 11.451 -0.382 1090 HB3 ASP 65 2HB ASP 65 5.367 10.457 -1.621 1091 H THR 66 H THR 66 2.004 11.819 1.205 1092 HA THR 66 HA THR 66 1.201 13.591 2.350 1093 HB THR 66 HB THR 66 2.803 14.504 4.112 1094 HG1 THR 66 HG1 THR 66 4.606 13.392 2.582 1095 HG21 THR 66 1HG2 THR 66 2.344 11.530 3.942 1096 HG22 THR 66 2HG2 THR 66 1.204 12.723 4.561 1097 HG23 THR 66 3HG2 THR 66 2.720 12.426 5.412 1098 H GLY 67 H GLY 67 2.183 14.314 -0.247 1099 HA2 GLY 67 1HA GLY 67 3.498 16.883 0.104 1100 HA3 GLY 67 2HA GLY 67 3.066 16.133 -1.425 1101 H CYS 68 H CYS 68 0.959 16.680 1.323 1102 HA CYS 68 HA CYS 68 -1.014 17.756 1.573 1103 HB2 CYS 68 1HB CYS 68 0.262 19.658 -0.390 1104 HB3 CYS 68 2HB CYS 68 -1.232 19.985 0.477 1105 H GLU 69 H GLU 69 -2.957 18.720 0.241 1106 HA GLU 69 HA GLU 69 -3.606 16.718 -1.747 1107 HB2 GLU 69 1HB GLU 69 -5.261 18.952 -0.553 1108 HB3 GLU 69 2HB GLU 69 -5.871 17.741 -1.673 1109 HG2 GLU 69 1HG GLU 69 -5.358 15.985 -0.060 1110 HG3 GLU 69 2HG GLU 69 -4.744 17.195 1.062 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 -3.355 12.927 -7.700 2 H2 GLY 1 2H GLY 1 -1.829 12.520 -8.295 3 H3 GLY 1 3H GLY 1 -2.537 11.578 -7.084 4 HA2 GLY 1 2HA GLY 1 -3.439 11.851 -9.893 5 HA3 GLY 1 1HA GLY 1 -2.727 10.426 -9.154 6 HA PRO 2 HA PRO 2 -6.833 9.053 -8.279 7 HB2 PRO 2 1HB PRO 2 -5.874 7.733 -5.849 8 HB3 PRO 2 2HB PRO 2 -6.529 7.021 -7.324 9 HG2 PRO 2 1HG PRO 2 -3.929 6.811 -6.672 10 HG3 PRO 2 2HG PRO 2 -4.475 6.929 -8.354 11 HD2 PRO 2 1HD PRO 2 -3.305 9.048 -6.588 12 HD3 PRO 2 2HD PRO 2 -2.999 8.714 -8.306 13 H LYS 3 H LYS 3 -7.960 10.844 -7.684 14 HA LYS 3 HA LYS 3 -7.791 11.852 -4.972 15 HB2 LYS 3 1HB LYS 3 -9.693 12.571 -7.205 16 HB3 LYS 3 2HB LYS 3 -9.519 13.433 -5.687 17 HG2 LYS 3 1HG LYS 3 -7.338 13.124 -7.733 18 HG3 LYS 3 2HG LYS 3 -8.394 14.528 -7.597 19 HD2 LYS 3 1HD LYS 3 -6.551 13.523 -5.428 20 HD3 LYS 3 2HD LYS 3 -6.201 14.866 -6.513 21 HE2 LYS 3 1HE LYS 3 -8.199 16.038 -5.654 22 HE3 LYS 3 2HE LYS 3 -8.461 14.713 -4.521 23 HZ1 LYS 3 1HZ LYS 3 -6.335 15.193 -3.507 24 HZ2 LYS 3 2HZ LYS 3 -7.312 16.572 -3.490 25 HZ3 LYS 3 3HZ LYS 3 -6.052 16.443 -4.610 26 H THR 4 H THR 4 -9.481 9.492 -6.717 27 HA THR 4 HA THR 4 -11.440 9.269 -4.558 28 HB THR 4 HB THR 4 -12.958 8.210 -6.314 29 HG1 THR 4 HG1 THR 4 -11.501 9.765 -8.163 30 HG21 THR 4 1HG2 THR 4 -13.786 10.400 -7.066 31 HG22 THR 4 2HG2 THR 4 -12.294 11.148 -6.494 32 HG23 THR 4 3HG2 THR 4 -13.402 10.396 -5.345 33 H LEU 5 H LEU 5 -12.405 7.065 -4.415 34 HA LEU 5 HA LEU 5 -10.378 5.250 -3.800 35 HB2 LEU 5 1HB LEU 5 -12.643 5.417 -2.766 36 HB3 LEU 5 2HB LEU 5 -13.314 4.691 -4.208 37 HG LEU 5 HG LEU 5 -12.870 3.262 -2.074 38 HD11 LEU 5 1HD1 LEU 5 -13.751 2.342 -4.113 39 HD12 LEU 5 2HD1 LEU 5 -12.484 1.281 -3.493 40 HD13 LEU 5 3HD1 LEU 5 -12.151 2.356 -4.853 41 HD21 LEU 5 1HD2 LEU 5 -10.170 3.221 -3.405 42 HD22 LEU 5 2HD2 LEU 5 -10.693 2.173 -2.086 43 HD23 LEU 5 3HD2 LEU 5 -10.537 3.910 -1.823 44 H HIS 6 H HIS 6 -12.677 5.307 -6.485 45 HA HIS 6 HA HIS 6 -12.092 2.913 -7.724 46 HB2 HIS 6 1HB HIS 6 -13.861 4.688 -8.291 47 HB3 HIS 6 2HB HIS 6 -12.609 5.459 -9.247 48 HD1 HIS 6 HD1 HIS 6 -15.389 3.951 -10.140 49 HD2 HIS 6 HD2 HIS 6 -11.466 2.701 -10.717 50 HE1 HIS 6 HE1 HIS 6 -15.461 2.366 -12.089 51 HE2 HIS 6 HE2 HIS 6 -13.063 1.709 -12.490 52 H GLU 7 H GLU 7 -10.412 5.993 -7.979 53 HA GLU 7 HA GLU 7 -8.715 5.209 -10.126 54 HB2 GLU 7 1HB GLU 7 -8.340 7.439 -8.129 55 HB3 GLU 7 2HB GLU 7 -7.539 7.291 -9.686 56 HG2 GLU 7 1HG GLU 7 -10.484 7.689 -9.241 57 HG3 GLU 7 2HG GLU 7 -9.336 8.921 -9.747 58 H LEU 8 H LEU 8 -8.552 5.083 -6.655 59 HA LEU 8 HA LEU 8 -5.758 4.647 -6.438 60 HB2 LEU 8 1HB LEU 8 -7.319 5.497 -4.654 61 HB3 LEU 8 2HB LEU 8 -7.908 3.858 -4.480 62 HG LEU 8 HG LEU 8 -6.139 4.740 -2.828 63 HD11 LEU 8 1HD1 LEU 8 -5.078 2.513 -2.683 64 HD12 LEU 8 2HD1 LEU 8 -5.823 2.099 -4.228 65 HD13 LEU 8 3HD1 LEU 8 -6.835 2.444 -2.826 66 HD21 LEU 8 1HD2 LEU 8 -4.320 3.973 -5.095 67 HD22 LEU 8 2HD2 LEU 8 -3.846 4.511 -3.482 68 HD23 LEU 8 3HD2 LEU 8 -4.651 5.628 -4.585 69 H LEU 9 H LEU 9 -8.568 2.533 -6.658 70 HA LEU 9 HA LEU 9 -7.247 0.098 -6.211 71 HB2 LEU 9 1HB LEU 9 -9.767 0.879 -7.603 72 HB3 LEU 9 2HB LEU 9 -9.161 -0.750 -7.804 73 HG LEU 9 HG LEU 9 -10.876 -0.537 -6.026 74 HD11 LEU 9 1HD1 LEU 9 -9.663 -1.817 -4.335 75 HD12 LEU 9 2HD1 LEU 9 -8.135 -1.351 -5.087 76 HD13 LEU 9 3HD1 LEU 9 -9.281 -2.363 -5.968 77 HD21 LEU 9 1HD2 LEU 9 -8.760 1.018 -4.564 78 HD22 LEU 9 2HD2 LEU 9 -10.328 0.517 -3.931 79 HD23 LEU 9 3HD2 LEU 9 -10.239 1.696 -5.239 80 H GLU 10 H GLU 10 -7.659 2.020 -9.129 81 HA GLU 10 HA GLU 10 -6.483 0.127 -10.883 82 HB2 GLU 10 1HB GLU 10 -6.679 3.131 -11.131 83 HB3 GLU 10 2HB GLU 10 -6.221 2.038 -12.429 84 HG2 GLU 10 1HG GLU 10 -8.443 0.938 -12.180 85 HG3 GLU 10 2HG GLU 10 -8.878 2.215 -11.043 86 H ARG 11 H ARG 11 -5.233 2.595 -8.770 87 HA ARG 11 HA ARG 11 -2.631 2.815 -9.800 88 HB2 ARG 11 1HB ARG 11 -4.092 3.849 -7.618 89 HB3 ARG 11 2HB ARG 11 -2.649 3.106 -6.943 90 HG2 ARG 11 1HG ARG 11 -2.655 5.140 -9.157 91 HG3 ARG 11 2HG ARG 11 -2.378 5.495 -7.452 92 HD2 ARG 11 1HD ARG 11 -0.373 4.249 -7.419 93 HD3 ARG 11 2HD ARG 11 -0.715 3.518 -8.986 94 HE ARG 11 HE ARG 11 -0.468 6.402 -8.989 95 HH11 ARG 11 1HH1 ARG 11 1.227 3.358 -9.353 96 HH12 ARG 11 2HH1 ARG 11 2.464 4.029 -10.366 97 HH21 ARG 11 1HH2 ARG 11 1.154 7.281 -10.316 98 HH22 ARG 11 2HH2 ARG 11 2.421 6.261 -10.919 99 H ILE 12 H ILE 12 -4.080 0.607 -7.488 100 HA ILE 12 HA ILE 12 -1.484 -0.648 -7.026 101 HB ILE 12 HB ILE 12 -2.547 -1.814 -5.175 102 HG12 ILE 12 1HG1 ILE 12 -5.048 -0.283 -5.940 103 HG13 ILE 12 2HG1 ILE 12 -4.823 -2.016 -6.148 104 HG21 ILE 12 1HG2 ILE 12 -3.018 0.184 -3.805 105 HG22 ILE 12 2HG2 ILE 12 -3.076 1.149 -5.279 106 HG23 ILE 12 3HG2 ILE 12 -1.570 0.362 -4.800 107 HD11 ILE 12 1HD1 ILE 12 -4.851 -0.531 -3.533 108 HD12 ILE 12 2HD1 ILE 12 -4.590 -2.265 -3.723 109 HD13 ILE 12 3HD1 ILE 12 -6.140 -1.550 -4.174 110 H GLY 13 H GLY 13 -4.276 -1.092 -8.882 111 HA2 GLY 13 1HA GLY 13 -4.414 -2.641 -10.631 112 HA3 GLY 13 2HA GLY 13 -3.178 -3.608 -9.844 113 H LEU 14 H LEU 14 -6.029 -2.424 -8.203 114 HA LEU 14 HA LEU 14 -7.107 -5.159 -8.217 115 HB2 LEU 14 1HB LEU 14 -6.857 -3.236 -5.937 116 HB3 LEU 14 2HB LEU 14 -8.112 -4.458 -5.939 117 HG LEU 14 HG LEU 14 -6.404 -5.419 -4.693 118 HD11 LEU 14 1HD1 LEU 14 -5.935 -6.399 -7.492 119 HD12 LEU 14 2HD1 LEU 14 -7.249 -6.909 -6.430 120 HD13 LEU 14 3HD1 LEU 14 -5.573 -7.265 -6.000 121 HD21 LEU 14 1HD2 LEU 14 -4.645 -3.838 -5.119 122 HD22 LEU 14 2HD2 LEU 14 -4.449 -4.457 -6.761 123 HD23 LEU 14 3HD2 LEU 14 -4.061 -5.479 -5.377 124 H GLU 15 H GLU 15 -7.691 -2.953 -9.970 125 HA GLU 15 HA GLU 15 -10.119 -1.710 -9.336 126 HB2 GLU 15 1HB GLU 15 -10.354 -1.365 -11.755 127 HB3 GLU 15 2HB GLU 15 -8.736 -0.979 -11.193 128 HG2 GLU 15 1HG GLU 15 -7.946 -3.142 -11.998 129 HG3 GLU 15 2HG GLU 15 -9.565 -3.512 -12.580 130 H GLU 16 H GLU 16 -9.378 -4.938 -10.114 131 HA GLU 16 HA GLU 16 -11.815 -5.909 -11.075 132 HB2 GLU 16 1HB GLU 16 -11.060 -8.085 -10.193 133 HB3 GLU 16 2HB GLU 16 -9.781 -7.251 -11.066 134 HG2 GLU 16 1HG GLU 16 -8.793 -6.532 -8.965 135 HG3 GLU 16 2HG GLU 16 -10.092 -7.322 -8.075 136 H HIS 17 H HIS 17 -10.923 -4.746 -7.960 137 HA HIS 17 HA HIS 17 -13.392 -5.872 -6.815 138 HB2 HIS 17 1HB HIS 17 -10.723 -5.345 -5.534 139 HB3 HIS 17 2HB HIS 17 -12.187 -5.509 -4.578 140 HD1 HIS 17 HD1 HIS 17 -13.545 -7.907 -5.271 141 HD2 HIS 17 HD2 HIS 17 -9.419 -7.681 -5.773 142 HE1 HIS 17 HE1 HIS 17 -12.737 -10.288 -5.338 143 HE2 HIS 17 HE2 HIS 17 -10.266 -10.137 -5.789 144 H THR 18 H THR 18 -12.476 -3.143 -8.146 145 HA THR 18 HA THR 18 -12.754 -1.119 -6.270 146 HB THR 18 HB THR 18 -13.885 -1.018 -9.061 147 HG1 THR 18 HG1 THR 18 -11.899 -0.952 -9.768 148 HG21 THR 18 1HG2 THR 18 -13.378 1.387 -8.862 149 HG22 THR 18 2HG2 THR 18 -12.878 1.118 -7.191 150 HG23 THR 18 3HG2 THR 18 -14.555 0.844 -7.664 151 H SER 19 H SER 19 -15.274 -2.766 -8.143 152 HA SER 19 HA SER 19 -17.460 -1.369 -7.091 153 HB2 SER 19 1HB SER 19 -18.743 -3.432 -7.824 154 HB3 SER 19 2HB SER 19 -17.772 -2.647 -9.068 155 HG SER 19 HG SER 19 -17.207 -4.725 -9.261 156 H THR 20 H THR 20 -15.731 -4.215 -5.967 157 HA THR 20 HA THR 20 -17.459 -5.070 -3.963 158 HB THR 20 HB THR 20 -14.441 -5.097 -3.810 159 HG1 THR 20 HG1 THR 20 -16.265 -6.681 -5.284 160 HG21 THR 20 1HG2 THR 20 -14.796 -7.132 -2.481 161 HG22 THR 20 2HG2 THR 20 -16.540 -6.908 -2.619 162 HG23 THR 20 3HG2 THR 20 -15.566 -5.726 -1.742 163 H LEU 21 H LEU 21 -14.690 -2.844 -3.715 164 HA LEU 21 HA LEU 21 -15.163 -2.101 -1.042 165 HB2 LEU 21 1HB LEU 21 -13.685 -0.808 -3.314 166 HB3 LEU 21 2HB LEU 21 -13.843 0.006 -1.778 167 HG LEU 21 HG LEU 21 -11.769 -0.974 -1.602 168 HD11 LEU 21 1HD1 LEU 21 -11.918 -2.791 -0.027 169 HD12 LEU 21 2HD1 LEU 21 -13.584 -3.103 -0.506 170 HD13 LEU 21 3HD1 LEU 21 -13.169 -1.590 0.304 171 HD21 LEU 21 1HD2 LEU 21 -11.847 -2.239 -3.678 172 HD22 LEU 21 2HD2 LEU 21 -12.842 -3.468 -2.896 173 HD23 LEU 21 3HD2 LEU 21 -11.183 -3.204 -2.360 174 H LEU 22 H LEU 22 -15.998 -0.540 -4.092 175 HA LEU 22 HA LEU 22 -17.164 1.779 -3.157 176 HB2 LEU 22 1HB LEU 22 -16.581 1.062 -5.529 177 HB3 LEU 22 2HB LEU 22 -18.121 0.231 -5.551 178 HG LEU 22 HG LEU 22 -19.260 2.398 -5.156 179 HD11 LEU 22 1HD1 LEU 22 -17.450 3.587 -4.062 180 HD12 LEU 22 2HD1 LEU 22 -17.980 4.464 -5.496 181 HD13 LEU 22 3HD1 LEU 22 -16.490 3.522 -5.538 182 HD21 LEU 22 1HD2 LEU 22 -18.945 3.235 -7.419 183 HD22 LEU 22 2HD2 LEU 22 -18.987 1.471 -7.406 184 HD23 LEU 22 3HD2 LEU 22 -17.448 2.316 -7.564 185 H LEU 23 H LEU 23 -18.744 -1.340 -3.819 186 HA LEU 23 HA LEU 23 -21.356 -0.409 -3.185 187 HB2 LEU 23 1HB LEU 23 -20.248 -3.201 -3.388 188 HB3 LEU 23 2HB LEU 23 -21.948 -2.818 -3.224 189 HG LEU 23 HG LEU 23 -20.182 -2.053 -5.548 190 HD11 LEU 23 1HD1 LEU 23 -22.402 -4.075 -5.315 191 HD12 LEU 23 2HD1 LEU 23 -20.683 -4.424 -5.510 192 HD13 LEU 23 3HD1 LEU 23 -21.575 -3.626 -6.806 193 HD21 LEU 23 1HD2 LEU 23 -22.280 -1.308 -6.597 194 HD22 LEU 23 2HD2 LEU 23 -21.869 -0.361 -5.168 195 HD23 LEU 23 3HD2 LEU 23 -23.124 -1.597 -5.076 196 H ASN 24 H ASN 24 -18.763 -1.784 -1.317 197 HA ASN 24 HA ASN 24 -20.542 -2.366 0.903 198 HB2 ASN 24 1HB ASN 24 -17.664 -2.948 0.342 199 HB3 ASN 24 2HB ASN 24 -18.277 -3.054 1.989 200 HD21 ASN 24 1HD2 ASN 24 -18.294 -4.437 -1.168 201 HD22 ASN 24 2HD2 ASN 24 -19.167 -5.879 -0.762 202 H GLY 25 H GLY 25 -19.367 0.375 -0.202 203 HA2 GLY 25 1HA GLY 25 -20.001 2.307 1.090 204 HA3 GLY 25 2HA GLY 25 -19.419 1.484 2.525 205 H TYR 26 H TYR 26 -17.150 0.744 0.390 206 HA TYR 26 HA TYR 26 -15.413 2.877 1.312 207 HB2 TYR 26 1HB TYR 26 -14.860 0.370 -0.268 208 HB3 TYR 26 2HB TYR 26 -13.623 1.501 0.273 209 HD1 TYR 26 HD1 TYR 26 -15.470 -1.409 1.085 210 HD2 TYR 26 HD2 TYR 26 -13.542 1.961 2.815 211 HE1 TYR 26 HE1 TYR 26 -15.354 -2.589 3.238 212 HE2 TYR 26 HE2 TYR 26 -13.412 0.792 4.969 213 HH TYR 26 HH TYR 26 -14.746 -1.074 6.114 214 H GLN 27 H GLN 27 -16.372 4.558 0.130 215 HA GLN 27 HA GLN 27 -16.191 4.351 -2.784 216 HB2 GLN 27 1HB GLN 27 -17.688 6.377 -1.130 217 HB3 GLN 27 2HB GLN 27 -17.812 6.134 -2.866 218 HG2 GLN 27 1HG GLN 27 -18.651 3.837 -2.412 219 HG3 GLN 27 2HG GLN 27 -18.671 4.242 -0.700 220 HE21 GLN 27 1HE2 GLN 27 -20.837 3.484 -2.484 221 HE22 GLN 27 2HE2 GLN 27 -21.990 4.769 -2.411 222 H THR 28 H THR 28 -14.908 5.979 -0.046 223 HA THR 28 HA THR 28 -13.340 7.674 -1.869 224 HB THR 28 HB THR 28 -13.170 9.367 -0.146 225 HG1 THR 28 HG1 THR 28 -14.889 7.698 1.418 226 HG21 THR 28 1HG2 THR 28 -16.025 8.491 -0.582 227 HG22 THR 28 2HG2 THR 28 -15.078 9.545 -1.634 228 HG23 THR 28 3HG2 THR 28 -15.527 10.086 -0.017 229 H LEU 29 H LEU 29 -11.219 8.321 -0.900 230 HA LEU 29 HA LEU 29 -9.742 6.058 -0.070 231 HB2 LEU 29 1HB LEU 29 -9.008 8.979 0.135 232 HB3 LEU 29 2HB LEU 29 -7.890 7.625 0.171 233 HG LEU 29 HG LEU 29 -9.605 8.406 -2.189 234 HD11 LEU 29 1HD1 LEU 29 -6.652 8.750 -1.721 235 HD12 LEU 29 2HD1 LEU 29 -7.855 10.039 -1.772 236 HD13 LEU 29 3HD1 LEU 29 -7.506 9.099 -3.224 237 HD21 LEU 29 1HD2 LEU 29 -8.323 6.761 -3.418 238 HD22 LEU 29 2HD2 LEU 29 -9.153 6.005 -2.058 239 HD23 LEU 29 3HD2 LEU 29 -7.425 6.342 -1.960 240 H GLU 30 H GLU 30 -11.393 8.604 1.576 241 HA GLU 30 HA GLU 30 -10.276 8.232 4.154 242 HB2 GLU 30 1HB GLU 30 -12.884 9.446 3.243 243 HB3 GLU 30 2HB GLU 30 -12.296 9.506 4.901 244 HG2 GLU 30 1HG GLU 30 -10.469 10.865 4.316 245 HG3 GLU 30 2HG GLU 30 -10.690 10.554 2.595 246 H ASP 31 H ASP 31 -12.823 6.652 2.366 247 HA ASP 31 HA ASP 31 -13.787 5.179 4.657 248 HB2 ASP 31 1HB ASP 31 -14.203 4.701 1.696 249 HB3 ASP 31 2HB ASP 31 -14.996 3.801 2.979 250 H PHE 32 H PHE 32 -11.748 4.581 1.856 251 HA PHE 32 HA PHE 32 -11.387 1.830 2.261 252 HB2 PHE 32 1HB PHE 32 -10.989 3.057 0.131 253 HB3 PHE 32 2HB PHE 32 -9.522 3.727 0.833 254 HD1 PHE 32 HD1 PHE 32 -7.590 2.314 1.233 255 HD2 PHE 32 HD2 PHE 32 -11.094 0.760 -0.593 256 HE1 PHE 32 HE1 PHE 32 -6.318 0.363 0.467 257 HE2 PHE 32 HE2 PHE 32 -9.825 -1.205 -1.361 258 HZ PHE 32 HZ PHE 32 -7.432 -1.401 -0.831 259 H LYS 33 H LYS 33 -9.719 4.581 3.648 260 HA LYS 33 HA LYS 33 -7.426 3.168 4.500 261 HB2 LYS 33 1HB LYS 33 -7.141 5.035 6.127 262 HB3 LYS 33 2HB LYS 33 -7.331 5.545 4.458 263 HG2 LYS 33 1HG LYS 33 -9.541 6.276 4.831 264 HG3 LYS 33 2HG LYS 33 -9.613 5.483 6.405 265 HD2 LYS 33 1HD LYS 33 -9.322 7.890 6.652 266 HD3 LYS 33 2HD LYS 33 -7.923 7.018 7.267 267 HE2 LYS 33 1HE LYS 33 -6.842 7.446 5.011 268 HE3 LYS 33 2HE LYS 33 -8.172 8.554 4.694 269 HZ1 LYS 33 1HZ LYS 33 -6.151 9.638 5.601 270 HZ2 LYS 33 2HZ LYS 33 -6.362 8.775 7.040 271 HZ3 LYS 33 3HZ LYS 33 -7.532 9.893 6.546 272 H GLU 34 H GLU 34 -10.615 2.868 5.467 273 HA GLU 34 HA GLU 34 -9.838 1.738 8.063 274 HB2 GLU 34 1HB GLU 34 -12.606 2.348 7.034 275 HB3 GLU 34 2HB GLU 34 -12.188 1.826 8.659 276 HG2 GLU 34 1HG GLU 34 -10.786 3.937 8.807 277 HG3 GLU 34 2HG GLU 34 -11.615 4.453 7.340 278 H LEU 35 H LEU 35 -10.017 0.802 5.029 279 HA LEU 35 HA LEU 35 -11.547 -1.610 5.207 280 HB2 LEU 35 1HB LEU 35 -11.214 -0.426 3.100 281 HB3 LEU 35 2HB LEU 35 -9.482 -0.616 3.235 282 HG LEU 35 HG LEU 35 -10.820 -2.089 1.591 283 HD11 LEU 35 1HD1 LEU 35 -8.895 -3.472 3.435 284 HD12 LEU 35 2HD1 LEU 35 -8.408 -2.280 2.230 285 HD13 LEU 35 3HD1 LEU 35 -9.175 -3.782 1.720 286 HD21 LEU 35 1HD2 LEU 35 -11.260 -3.614 4.148 287 HD22 LEU 35 2HD2 LEU 35 -11.600 -4.200 2.519 288 HD23 LEU 35 3HD2 LEU 35 -12.511 -2.839 3.176 289 H ARG 36 H ARG 36 -10.924 -3.340 6.315 290 HA ARG 36 HA ARG 36 -8.049 -3.720 6.787 291 HB2 ARG 36 1HB ARG 36 -10.281 -4.434 8.685 292 HB3 ARG 36 2HB ARG 36 -8.561 -4.595 8.990 293 HG2 ARG 36 1HG ARG 36 -10.142 -2.055 8.705 294 HG3 ARG 36 2HG ARG 36 -9.326 -2.666 10.145 295 HD2 ARG 36 1HD ARG 36 -7.999 -1.764 7.592 296 HD3 ARG 36 2HD ARG 36 -8.057 -0.860 9.101 297 HE ARG 36 HE ARG 36 -6.907 -3.298 9.708 298 HH11 ARG 36 1HH1 ARG 36 -6.196 -0.573 7.635 299 HH12 ARG 36 2HH1 ARG 36 -4.473 -0.763 7.748 300 HH21 ARG 36 1HH2 ARG 36 -4.640 -3.585 9.826 301 HH22 ARG 36 2HH2 ARG 36 -3.586 -2.492 8.976 302 H GLU 37 H GLU 37 -7.543 -6.048 7.476 303 HA GLU 37 HA GLU 37 -8.125 -7.612 5.225 304 HB2 GLU 37 1HB GLU 37 -6.063 -7.760 6.605 305 HB3 GLU 37 2HB GLU 37 -7.005 -8.555 7.857 306 HG2 GLU 37 1HG GLU 37 -7.432 -10.424 6.448 307 HG3 GLU 37 2HG GLU 37 -6.715 -9.603 5.059 308 H THR 38 H THR 38 -9.362 -7.732 8.514 309 HA THR 38 HA THR 38 -10.958 -10.010 8.298 310 HB THR 38 HB THR 38 -11.507 -7.508 9.908 311 HG1 THR 38 HG1 THR 38 -10.350 -9.743 11.095 312 HG21 THR 38 1HG2 THR 38 -12.409 -10.359 10.331 313 HG22 THR 38 2HG2 THR 38 -13.428 -9.016 9.816 314 HG23 THR 38 3HG2 THR 38 -12.710 -9.011 11.426 315 H HIS 39 H HIS 39 -11.342 -6.818 7.037 316 HA HIS 39 HA HIS 39 -14.181 -6.998 6.615 317 HB2 HIS 39 1HB HIS 39 -12.157 -5.052 5.485 318 HB3 HIS 39 2HB HIS 39 -13.905 -4.901 5.333 319 HD1 HIS 39 HD1 HIS 39 -13.334 -2.524 6.541 320 HD2 HIS 39 HD2 HIS 39 -13.015 -5.956 8.865 321 HE1 HIS 39 HE1 HIS 39 -13.219 -1.724 8.919 322 HE2 HIS 39 HE2 HIS 39 -13.277 -3.828 10.307 323 H LEU 40 H LEU 40 -11.246 -7.549 4.759 324 HA LEU 40 HA LEU 40 -12.455 -7.916 2.238 325 HB2 LEU 40 1HB LEU 40 -9.884 -8.850 3.446 326 HB3 LEU 40 2HB LEU 40 -10.390 -9.467 1.886 327 HG LEU 40 HG LEU 40 -10.564 -7.030 1.159 328 HD11 LEU 40 1HD1 LEU 40 -10.553 -5.950 3.275 329 HD12 LEU 40 2HD1 LEU 40 -9.075 -5.508 2.420 330 HD13 LEU 40 3HD1 LEU 40 -9.022 -6.705 3.707 331 HD21 LEU 40 1HD2 LEU 40 -8.808 -8.454 0.362 332 HD22 LEU 40 2HD2 LEU 40 -7.902 -8.238 1.859 333 HD23 LEU 40 3HD2 LEU 40 -8.135 -6.875 0.764 334 H ASN 41 H ASN 41 -12.004 -10.022 4.980 335 HA ASN 41 HA ASN 41 -12.804 -12.438 3.797 336 HB2 ASN 41 1HB ASN 41 -13.108 -11.426 6.626 337 HB3 ASN 41 2HB ASN 41 -13.511 -13.067 6.137 338 HD21 ASN 41 1HD2 ASN 41 -11.539 -12.208 8.049 339 HD22 ASN 41 2HD2 ASN 41 -10.012 -12.784 7.480 340 H GLU 42 H GLU 42 -14.580 -9.713 5.037 341 HA GLU 42 HA GLU 42 -17.169 -10.906 4.760 342 HB2 GLU 42 1HB GLU 42 -16.327 -8.022 5.071 343 HB3 GLU 42 2HB GLU 42 -17.974 -8.619 5.216 344 HG2 GLU 42 1HG GLU 42 -15.664 -9.359 6.990 345 HG3 GLU 42 2HG GLU 42 -16.969 -8.247 7.393 346 H LEU 43 H LEU 43 -15.086 -8.825 2.884 347 HA LEU 43 HA LEU 43 -16.997 -8.209 0.848 348 HB2 LEU 43 1HB LEU 43 -13.995 -8.012 0.721 349 HB3 LEU 43 2HB LEU 43 -15.148 -7.156 -0.280 350 HG LEU 43 HG LEU 43 -14.789 -6.753 2.685 351 HD11 LEU 43 1HD1 LEU 43 -12.880 -5.944 1.445 352 HD12 LEU 43 2HD1 LEU 43 -13.841 -4.595 2.052 353 HD13 LEU 43 3HD1 LEU 43 -13.943 -5.056 0.351 354 HD21 LEU 43 1HD2 LEU 43 -17.064 -6.326 1.946 355 HD22 LEU 43 2HD2 LEU 43 -16.460 -5.254 0.682 356 HD23 LEU 43 3HD2 LEU 43 -16.242 -4.828 2.381 357 H ASN 44 H ASN 44 -15.237 -10.928 1.570 358 HA ASN 44 HA ASN 44 -14.951 -12.934 0.569 359 HB2 ASN 44 1HB ASN 44 -17.278 -12.370 -0.358 360 HB3 ASN 44 2HB ASN 44 -16.447 -11.933 -1.844 361 HD21 ASN 44 1HD2 ASN 44 -15.593 -13.542 -3.137 362 HD22 ASN 44 2HD2 ASN 44 -15.914 -15.220 -2.875 363 H ILE 45 H ILE 45 -13.237 -10.553 0.130 364 HA ILE 45 HA ILE 45 -12.003 -11.089 -2.434 365 HB ILE 45 HB ILE 45 -11.065 -9.267 -0.216 366 HG12 ILE 45 1HG1 ILE 45 -12.506 -8.621 -2.796 367 HG13 ILE 45 2HG1 ILE 45 -13.264 -8.656 -1.210 368 HG21 ILE 45 1HG2 ILE 45 -10.177 -9.507 -3.093 369 HG22 ILE 45 2HG2 ILE 45 -9.240 -9.973 -1.673 370 HG23 ILE 45 3HG2 ILE 45 -9.632 -8.276 -1.954 371 HD11 ILE 45 1HD1 ILE 45 -12.747 -6.389 -1.942 372 HD12 ILE 45 2HD1 ILE 45 -11.038 -6.815 -2.040 373 HD13 ILE 45 3HD1 ILE 45 -11.863 -6.824 -0.480 374 H MET 46 H MET 46 -11.501 -13.254 -2.145 375 HA MET 46 HA MET 46 -9.715 -13.988 0.041 376 HB2 MET 46 1HB MET 46 -11.120 -15.677 -2.025 377 HB3 MET 46 2HB MET 46 -10.134 -16.303 -0.712 378 HG2 MET 46 1HG MET 46 -12.615 -14.653 -0.319 379 HG3 MET 46 2HG MET 46 -12.584 -16.412 -0.320 380 HE1 MET 46 1HE MET 46 -11.288 -13.602 3.038 381 HE2 MET 46 2HE MET 46 -12.546 -13.339 1.830 382 HE3 MET 46 3HE MET 46 -10.849 -13.271 1.363 383 H ASP 47 H ASP 47 -9.176 -12.569 -2.709 384 HA ASP 47 HA ASP 47 -7.133 -14.208 -3.889 385 HB2 ASP 47 1HB ASP 47 -7.821 -11.282 -4.180 386 HB3 ASP 47 2HB ASP 47 -6.560 -12.079 -5.110 387 HA PRO 48 HA PRO 48 -4.740 -13.473 -0.197 388 HB2 PRO 48 1HB PRO 48 -2.544 -14.647 -1.810 389 HB3 PRO 48 2HB PRO 48 -3.132 -15.093 -0.209 390 HG2 PRO 48 1HG PRO 48 -3.720 -16.583 -2.328 391 HG3 PRO 48 2HG PRO 48 -4.907 -16.306 -1.044 392 HD2 PRO 48 1HD PRO 48 -4.744 -15.095 -3.762 393 HD3 PRO 48 2HD PRO 48 -6.168 -15.571 -2.820 394 H GLN 49 H GLN 49 -2.828 -12.975 -3.174 395 HA GLN 49 HA GLN 49 -1.169 -11.007 -1.969 396 HB2 GLN 49 1HB GLN 49 -1.616 -11.854 -4.821 397 HB3 GLN 49 2HB GLN 49 -0.531 -10.539 -4.403 398 HG2 GLN 49 1HG GLN 49 0.849 -12.009 -3.109 399 HG3 GLN 49 2HG GLN 49 -0.288 -13.334 -3.318 400 HE21 GLN 49 1HE2 GLN 49 2.188 -11.419 -4.791 401 HE22 GLN 49 2HE2 GLN 49 2.420 -12.418 -6.180 402 H HIS 50 H HIS 50 -4.124 -10.940 -3.787 403 HA HIS 50 HA HIS 50 -4.116 -8.154 -4.356 404 HB2 HIS 50 1HB HIS 50 -6.369 -10.151 -4.212 405 HB3 HIS 50 2HB HIS 50 -6.551 -8.507 -4.803 406 HD1 HIS 50 HD1 HIS 50 -7.322 -9.819 -7.083 407 HD2 HIS 50 HD2 HIS 50 -3.302 -10.065 -6.034 408 HE1 HIS 50 HE1 HIS 50 -6.125 -10.596 -9.144 409 HE2 HIS 50 HE2 HIS 50 -3.731 -10.894 -8.441 410 H ARG 51 H ARG 51 -5.399 -10.146 -1.766 411 HA ARG 51 HA ARG 51 -6.623 -8.206 -0.187 412 HB2 ARG 51 1HB ARG 51 -4.996 -10.621 0.634 413 HB3 ARG 51 2HB ARG 51 -5.984 -9.676 1.739 414 HG2 ARG 51 1HG ARG 51 -7.979 -10.314 0.591 415 HG3 ARG 51 2HG ARG 51 -7.047 -11.108 -0.680 416 HD2 ARG 51 1HD ARG 51 -7.930 -12.757 0.855 417 HD3 ARG 51 2HD ARG 51 -6.174 -12.696 0.977 418 HE ARG 51 HE ARG 51 -6.950 -11.030 2.942 419 HH11 ARG 51 1HH1 ARG 51 -7.833 -14.307 2.107 420 HH12 ARG 51 2HH1 ARG 51 -8.241 -14.753 3.733 421 HH21 ARG 51 1HH2 ARG 51 -7.464 -11.622 5.095 422 HH22 ARG 51 2HH2 ARG 51 -8.026 -13.223 5.436 423 H ALA 52 H ALA 52 -3.307 -9.376 -0.177 424 HA ALA 52 HA ALA 52 -2.251 -7.802 1.820 425 HB1 ALA 52 1HB ALA 52 -0.116 -8.372 0.918 426 HB2 ALA 52 2HB ALA 52 -0.813 -8.686 -0.669 427 HB3 ALA 52 3HB ALA 52 -1.190 -9.749 0.685 428 H LYS 53 H LYS 53 -2.566 -7.083 -1.639 429 HA LYS 53 HA LYS 53 -1.266 -4.581 -1.557 430 HB2 LYS 53 1HB LYS 53 -3.443 -5.450 -3.464 431 HB3 LYS 53 2HB LYS 53 -2.288 -4.148 -3.717 432 HG2 LYS 53 1HG LYS 53 -0.500 -5.979 -3.445 433 HG3 LYS 53 2HG LYS 53 -1.830 -7.099 -3.738 434 HD2 LYS 53 1HD LYS 53 -1.012 -6.810 -5.870 435 HD3 LYS 53 2HD LYS 53 -2.258 -5.566 -5.821 436 HE2 LYS 53 1HE LYS 53 -0.612 -3.869 -5.334 437 HE3 LYS 53 2HE LYS 53 0.655 -5.094 -5.229 438 HZ1 LYS 53 1HZ LYS 53 -0.872 -4.321 -7.655 439 HZ2 LYS 53 2HZ LYS 53 0.218 -5.614 -7.592 440 HZ3 LYS 53 3HZ LYS 53 0.768 -4.034 -7.356 441 H LEU 54 H LEU 54 -4.719 -5.418 -1.467 442 HA LEU 54 HA LEU 54 -5.774 -2.869 -1.275 443 HB2 LEU 54 1HB LEU 54 -6.733 -5.465 -0.093 444 HB3 LEU 54 2HB LEU 54 -7.685 -3.995 -0.093 445 HG LEU 54 HG LEU 54 -6.656 -5.280 -2.615 446 HD11 LEU 54 1HD1 LEU 54 -8.922 -6.160 -2.899 447 HD12 LEU 54 2HD1 LEU 54 -9.334 -5.590 -1.280 448 HD13 LEU 54 3HD1 LEU 54 -8.114 -6.848 -1.490 449 HD21 LEU 54 1HD2 LEU 54 -7.204 -2.934 -2.831 450 HD22 LEU 54 2HD2 LEU 54 -8.774 -3.208 -2.078 451 HD23 LEU 54 3HD2 LEU 54 -8.416 -3.916 -3.653 452 H LEU 55 H LEU 55 -4.734 -5.022 1.356 453 HA LEU 55 HA LEU 55 -5.420 -3.315 3.471 454 HB2 LEU 55 1HB LEU 55 -3.555 -5.606 3.158 455 HB3 LEU 55 2HB LEU 55 -3.368 -4.588 4.571 456 HG LEU 55 HG LEU 55 -4.727 -6.396 5.234 457 HD11 LEU 55 1HD1 LEU 55 -6.733 -5.318 5.936 458 HD12 LEU 55 2HD1 LEU 55 -6.612 -4.132 4.640 459 HD13 LEU 55 3HD1 LEU 55 -5.430 -4.129 5.950 460 HD21 LEU 55 1HD2 LEU 55 -5.350 -7.149 2.963 461 HD22 LEU 55 2HD2 LEU 55 -6.530 -5.838 2.885 462 HD23 LEU 55 3HD2 LEU 55 -6.713 -7.118 4.081 463 H THR 56 H THR 56 -2.414 -3.631 1.656 464 HA THR 56 HA THR 56 -0.881 -1.846 3.184 465 HB THR 56 HB THR 56 -0.634 -2.444 0.239 466 HG1 THR 56 HG1 THR 56 -0.512 -4.375 1.278 467 HG21 THR 56 1HG2 THR 56 1.718 -1.886 0.552 468 HG22 THR 56 2HG2 THR 56 1.416 -1.529 2.252 469 HG23 THR 56 3HG2 THR 56 0.697 -0.516 0.999 470 H ALA 57 H ALA 57 -2.932 -1.366 0.350 471 HA ALA 57 HA ALA 57 -2.410 1.346 -0.045 472 HB1 ALA 57 1HB ALA 57 -3.559 0.125 -1.728 473 HB2 ALA 57 2HB ALA 57 -4.660 1.373 -1.142 474 HB3 ALA 57 3HB ALA 57 -4.860 -0.300 -0.619 475 H ALA 58 H ALA 58 -4.813 -0.294 1.977 476 HA ALA 58 HA ALA 58 -6.040 2.034 2.984 477 HB1 ALA 58 1HB ALA 58 -7.048 -0.188 3.140 478 HB2 ALA 58 2HB ALA 58 -6.944 0.590 4.720 479 HB3 ALA 58 3HB ALA 58 -5.794 -0.676 4.281 480 H GLU 59 H GLU 59 -3.340 0.076 4.155 481 HA GLU 59 HA GLU 59 -2.883 1.331 6.599 482 HB2 GLU 59 1HB GLU 59 -0.912 0.080 4.680 483 HB3 GLU 59 2HB GLU 59 -0.526 0.532 6.332 484 HG2 GLU 59 1HG GLU 59 -2.646 -1.455 5.561 485 HG3 GLU 59 2HG GLU 59 -0.998 -1.877 6.011 486 H LEU 60 H LEU 60 -1.526 2.057 3.399 487 HA LEU 60 HA LEU 60 -0.044 4.288 4.341 488 HB2 LEU 60 1HB LEU 60 -0.608 3.077 1.713 489 HB3 LEU 60 2HB LEU 60 -0.203 4.784 1.707 490 HG LEU 60 HG LEU 60 1.900 4.283 2.879 491 HD11 LEU 60 1HD1 LEU 60 1.220 2.286 4.072 492 HD12 LEU 60 2HD1 LEU 60 2.649 1.967 3.084 493 HD13 LEU 60 3HD1 LEU 60 1.063 1.411 2.547 494 HD21 LEU 60 1HD2 LEU 60 1.351 2.834 0.312 495 HD22 LEU 60 2HD2 LEU 60 2.968 3.041 0.985 496 HD23 LEU 60 3HD2 LEU 60 2.016 4.454 0.525 497 H LEU 61 H LEU 61 -3.123 4.046 2.528 498 HA LEU 61 HA LEU 61 -3.540 6.787 2.213 499 HB2 LEU 61 1HB LEU 61 -5.520 4.546 2.542 500 HB3 LEU 61 2HB LEU 61 -5.987 6.185 2.138 501 HG LEU 61 HG LEU 61 -4.212 4.414 0.465 502 HD11 LEU 61 1HD1 LEU 61 -7.062 5.289 0.056 503 HD12 LEU 61 2HD1 LEU 61 -6.539 3.681 0.550 504 HD13 LEU 61 3HD1 LEU 61 -6.102 4.296 -1.040 505 HD21 LEU 61 1HD2 LEU 61 -4.476 6.161 -1.237 506 HD22 LEU 61 2HD2 LEU 61 -3.650 6.764 0.199 507 HD23 LEU 61 3HD2 LEU 61 -5.349 7.156 -0.069 508 H LEU 62 H LEU 62 -3.982 4.760 4.991 509 HA LEU 62 HA LEU 62 -5.646 6.389 6.536 510 HB2 LEU 62 1HB LEU 62 -5.053 4.047 7.040 511 HB3 LEU 62 2HB LEU 62 -3.427 4.558 7.438 512 HG LEU 62 HG LEU 62 -4.267 5.836 9.341 513 HD11 LEU 62 1HD1 LEU 62 -6.428 6.497 8.521 514 HD12 LEU 62 2HD1 LEU 62 -6.637 5.584 10.015 515 HD13 LEU 62 3HD1 LEU 62 -6.964 4.819 8.459 516 HD21 LEU 62 1HD2 LEU 62 -5.301 3.005 9.265 517 HD22 LEU 62 2HD2 LEU 62 -4.980 3.951 10.719 518 HD23 LEU 62 3HD2 LEU 62 -3.652 3.495 9.652 519 H ASP 63 H ASP 63 -2.207 6.494 5.922 520 HA ASP 63 HA ASP 63 -1.922 8.735 7.810 521 HB2 ASP 63 1HB ASP 63 -0.510 6.625 8.054 522 HB3 ASP 63 2HB ASP 63 0.306 7.123 6.578 523 H TYR 64 H TYR 64 -1.521 7.745 4.509 524 HA TYR 64 HA TYR 64 -0.146 10.240 3.808 525 HB2 TYR 64 1HB TYR 64 -0.362 7.604 2.356 526 HB3 TYR 64 2HB TYR 64 0.442 9.024 1.708 527 HD1 TYR 64 HD1 TYR 64 0.640 6.289 4.107 528 HD2 TYR 64 HD2 TYR 64 2.575 9.755 2.602 529 HE1 TYR 64 HE1 TYR 64 2.726 5.577 5.174 530 HE2 TYR 64 HE2 TYR 64 4.670 9.064 3.672 531 HH TYR 64 HH TYR 64 5.449 7.633 5.470 532 H ASP 65 H ASP 65 -3.004 10.301 4.186 533 HA ASP 65 HA ASP 65 -4.205 10.191 1.570 534 HB2 ASP 65 1HB ASP 65 -6.206 11.130 2.665 535 HB3 ASP 65 2HB ASP 65 -5.585 9.719 3.513 536 H THR 66 H THR 66 -1.993 11.734 1.455 537 HA THR 66 HA THR 66 -1.100 13.717 0.875 538 HB THR 66 HB THR 66 -2.587 15.127 -0.652 539 HG1 THR 66 HG1 THR 66 -4.486 13.645 0.391 540 HG21 THR 66 1HG2 THR 66 -2.126 12.216 -1.276 541 HG22 THR 66 2HG2 THR 66 -0.963 13.523 -1.483 542 HG23 THR 66 3HG2 THR 66 -2.427 13.479 -2.465 543 H GLY 67 H GLY 67 -2.165 13.782 3.522 544 HA2 GLY 67 1HA GLY 67 -3.415 16.380 3.834 545 HA3 GLY 67 2HA GLY 67 -2.951 15.279 5.125 546 H CYS 68 H CYS 68 -0.931 16.504 2.532 547 HA CYS 68 HA CYS 68 1.012 17.649 2.475 548 HB2 CYS 68 1HB CYS 68 -0.203 18.947 4.903 549 HB3 CYS 68 2HB CYS 68 1.306 19.482 4.176 550 H GLU 69 H GLU 69 3.107 18.041 3.603 551 HA GLU 69 HA GLU 69 3.654 15.712 5.281 552 HB2 GLU 69 1HB GLU 69 6.024 16.041 4.585 553 HB3 GLU 69 2HB GLU 69 4.930 15.708 3.252 554 HG2 GLU 69 1HG GLU 69 4.887 18.105 2.717 555 HG3 GLU 69 2HG GLU 69 6.033 18.397 4.025 556 H1 GLY 1 1H GLY 1 3.412 10.874 9.839 557 H2 GLY 1 2H GLY 1 1.879 10.359 10.323 558 H3 GLY 1 3H GLY 1 2.577 9.716 8.926 559 HA2 GLY 1 2HA GLY 1 3.476 9.315 11.722 560 HA3 GLY 1 1HA GLY 1 2.750 8.109 10.671 561 HA PRO 2 HA PRO 2 6.849 6.939 9.500 562 HB2 PRO 2 1HB PRO 2 5.879 6.216 6.834 563 HB3 PRO 2 2HB PRO 2 6.528 5.179 8.107 564 HG2 PRO 2 1HG PRO 2 3.925 5.145 7.426 565 HG3 PRO 2 2HG PRO 2 4.472 4.867 9.088 566 HD2 PRO 2 1HD PRO 2 3.320 7.346 7.860 567 HD3 PRO 2 2HD PRO 2 3.010 6.629 9.456 568 H LYS 3 H LYS 3 7.990 8.806 9.327 569 HA LYS 3 HA LYS 3 7.833 10.413 6.921 570 HB2 LYS 3 1HB LYS 3 9.741 10.578 9.257 571 HB3 LYS 3 2HB LYS 3 9.575 11.771 7.981 572 HG2 LYS 3 1HG LYS 3 7.391 11.015 9.905 573 HG3 LYS 3 2HG LYS 3 8.459 12.405 10.095 574 HD2 LYS 3 1HD LYS 3 6.608 11.937 7.755 575 HD3 LYS 3 2HD LYS 3 6.268 13.001 9.119 576 HE2 LYS 3 1HE LYS 3 8.275 14.323 8.545 577 HE3 LYS 3 2HE LYS 3 8.527 13.289 7.141 578 HZ1 LYS 3 1HZ LYS 3 6.400 14.001 6.267 579 HZ2 LYS 3 2HZ LYS 3 7.393 15.340 6.556 580 HZ3 LYS 3 3HZ LYS 3 6.136 14.975 7.624 581 H THR 4 H THR 4 9.496 7.699 8.074 582 HA THR 4 HA THR 4 11.461 7.957 5.923 583 HB THR 4 HB THR 4 12.964 6.513 7.397 584 HG1 THR 4 HG1 THR 4 11.509 7.626 9.547 585 HG21 THR 4 1HG2 THR 4 13.816 8.468 8.616 586 HG22 THR 4 2HG2 THR 4 12.329 9.339 8.237 587 HG23 THR 4 3HG2 THR 4 13.425 8.858 6.941 588 H LEU 5 H LEU 5 12.410 5.827 5.284 589 HA LEU 5 HA LEU 5 10.360 4.227 4.265 590 HB2 LEU 5 1HB LEU 5 12.626 4.608 3.292 591 HB3 LEU 5 2HB LEU 5 13.292 3.564 4.527 592 HG LEU 5 HG LEU 5 12.835 2.667 2.124 593 HD11 LEU 5 1HD1 LEU 5 13.709 1.298 3.895 594 HD12 LEU 5 2HD1 LEU 5 12.432 0.419 3.051 595 HD13 LEU 5 3HD1 LEU 5 12.108 1.154 4.621 596 HD21 LEU 5 1HD2 LEU 5 10.136 2.346 3.417 597 HD22 LEU 5 2HD2 LEU 5 10.647 1.623 1.892 598 HD23 LEU 5 3HD2 LEU 5 10.508 3.377 2.034 599 H HIS 6 H HIS 6 12.657 3.649 6.889 600 HA HIS 6 HA HIS 6 12.054 1.038 7.543 601 HB2 HIS 6 1HB HIS 6 13.839 2.617 8.500 602 HB3 HIS 6 2HB HIS 6 12.592 3.158 9.610 603 HD1 HIS 6 HD1 HIS 6 15.355 1.463 10.124 604 HD2 HIS 6 HD2 HIS 6 11.425 0.146 10.405 605 HE1 HIS 6 HE1 HIS 6 15.419 -0.519 11.659 606 HE2 HIS 6 HE2 HIS 6 13.013 -1.197 11.949 607 H GLU 7 H GLU 7 10.399 3.990 8.495 608 HA GLU 7 HA GLU 7 8.698 2.748 10.415 609 HB2 GLU 7 1HB GLU 7 8.341 5.380 8.984 610 HB3 GLU 7 2HB GLU 7 7.543 4.887 10.470 611 HG2 GLU 7 1HG GLU 7 10.489 5.353 10.108 612 HG3 GLU 7 2HG GLU 7 9.354 6.441 10.893 613 H LEU 8 H LEU 8 8.532 3.425 7.008 614 HA LEU 8 HA LEU 8 5.734 3.076 6.702 615 HB2 LEU 8 1HB LEU 8 7.304 4.298 5.159 616 HB3 LEU 8 2HB LEU 8 7.880 2.737 4.613 617 HG LEU 8 HG LEU 8 6.121 3.992 3.208 618 HD11 LEU 8 1HD1 LEU 8 5.039 1.867 2.556 619 HD12 LEU 8 2HD1 LEU 8 5.776 1.103 3.965 620 HD13 LEU 8 3HD1 LEU 8 6.794 1.750 2.678 621 HD21 LEU 8 1HD2 LEU 8 4.292 2.744 5.240 622 HD22 LEU 8 2HD2 LEU 8 3.825 3.640 3.794 623 HD23 LEU 8 3HD2 LEU 8 4.636 4.468 5.123 624 H LEU 9 H LEU 9 8.524 0.946 6.430 625 HA LEU 9 HA LEU 9 7.183 -1.310 5.436 626 HB2 LEU 9 1HB LEU 9 9.710 -0.892 6.964 627 HB3 LEU 9 2HB LEU 9 9.090 -2.518 6.789 628 HG LEU 9 HG LEU 9 10.807 -1.919 5.103 629 HD11 LEU 9 1HD1 LEU 9 9.582 -2.765 3.166 630 HD12 LEU 9 2HD1 LEU 9 8.059 -2.473 4.008 631 HD13 LEU 9 3HD1 LEU 9 9.197 -3.670 4.631 632 HD21 LEU 9 1HD2 LEU 9 8.704 -0.052 4.040 633 HD22 LEU 9 2HD2 LEU 9 10.271 -0.406 3.308 634 HD23 LEU 9 3HD2 LEU 9 10.188 0.441 4.853 635 H GLU 10 H GLU 10 7.604 -0.107 8.714 636 HA GLU 10 HA GLU 10 6.418 -2.349 9.989 637 HB2 GLU 10 1HB GLU 10 6.632 0.516 10.922 638 HB3 GLU 10 2HB GLU 10 6.170 -0.845 11.934 639 HG2 GLU 10 1HG GLU 10 8.384 -1.869 11.438 640 HG3 GLU 10 2HG GLU 10 8.827 -0.371 10.618 641 H ARG 11 H ARG 11 5.189 0.552 8.507 642 HA ARG 11 HA ARG 11 2.587 0.549 9.557 643 HB2 ARG 11 1HB ARG 11 4.062 2.043 7.668 644 HB3 ARG 11 2HB ARG 11 2.612 1.487 6.843 645 HG2 ARG 11 1HG ARG 11 2.637 2.959 9.463 646 HG3 ARG 11 2HG ARG 11 2.364 3.699 7.886 647 HD2 ARG 11 1HD ARG 11 0.348 2.514 7.571 648 HD3 ARG 11 2HD ARG 11 0.682 1.441 8.930 649 HE ARG 11 HE ARG 11 0.470 4.244 9.600 650 HH11 ARG 11 1HH1 ARG 11 -1.254 1.220 9.252 651 HH12 ARG 11 2HH1 ARG 11 -2.486 1.649 10.392 652 HH21 ARG 11 1HH2 ARG 11 -1.159 4.818 11.091 653 HH22 ARG 11 2HH2 ARG 11 -2.431 3.690 11.437 654 H ILE 12 H ILE 12 4.022 -1.080 6.799 655 HA ILE 12 HA ILE 12 1.415 -2.173 6.064 656 HB ILE 12 HB ILE 12 2.468 -2.894 3.997 657 HG12 ILE 12 1HG1 ILE 12 4.984 -1.603 5.087 658 HG13 ILE 12 2HG1 ILE 12 4.742 -3.337 4.891 659 HG21 ILE 12 1HG2 ILE 12 2.960 -0.643 3.116 660 HG22 ILE 12 2HG2 ILE 12 3.026 -0.039 4.773 661 HG23 ILE 12 3HG2 ILE 12 1.513 -0.681 4.128 662 HD11 ILE 12 1HD1 ILE 12 4.785 -1.289 2.688 663 HD12 ILE 12 2HD1 ILE 12 4.507 -3.018 2.476 664 HD13 ILE 12 3HD1 ILE 12 6.064 -2.441 3.075 665 H GLY 13 H GLY 13 4.201 -3.055 7.767 666 HA2 GLY 13 1HA GLY 13 4.326 -4.965 9.113 667 HA3 GLY 13 2HA GLY 13 3.081 -5.715 8.127 668 H LEU 14 H LEU 14 5.942 -4.211 6.796 669 HA LEU 14 HA LEU 14 6.999 -6.885 6.183 670 HB2 LEU 14 1HB LEU 14 6.765 -4.491 4.399 671 HB3 LEU 14 2HB LEU 14 8.007 -5.694 4.121 672 HG LEU 14 HG LEU 14 6.292 -6.328 2.691 673 HD11 LEU 14 1HD1 LEU 14 5.814 -7.916 5.194 674 HD12 LEU 14 2HD1 LEU 14 7.124 -8.182 4.043 675 HD13 LEU 14 3HD1 LEU 14 5.447 -8.417 3.546 676 HD21 LEU 14 1HD2 LEU 14 4.548 -4.871 3.471 677 HD22 LEU 14 2HD2 LEU 14 4.345 -5.848 4.927 678 HD23 LEU 14 3HD2 LEU 14 3.948 -6.522 3.347 679 H GLU 15 H GLU 15 7.596 -5.148 8.390 680 HA GLU 15 HA GLU 15 10.034 -3.809 8.063 681 HB2 GLU 15 1HB GLU 15 10.270 -4.038 10.496 682 HB3 GLU 15 2HB GLU 15 8.655 -3.516 10.039 683 HG2 GLU 15 1HG GLU 15 7.841 -5.801 10.327 684 HG3 GLU 15 2HG GLU 15 9.459 -6.311 10.803 685 H GLU 16 H GLU 16 9.265 -7.123 8.064 686 HA GLU 16 HA GLU 16 11.695 -8.308 8.779 687 HB2 GLU 16 1HB GLU 16 10.921 -10.220 7.431 688 HB3 GLU 16 2HB GLU 16 9.648 -9.596 8.470 689 HG2 GLU 16 1HG GLU 16 8.668 -8.416 6.583 690 HG3 GLU 16 2HG GLU 16 9.964 -8.992 5.539 691 H HIS 17 H HIS 17 10.816 -6.458 6.020 692 HA HIS 17 HA HIS 17 13.275 -7.315 4.645 693 HB2 HIS 17 1HB HIS 17 10.614 -6.482 3.524 694 HB3 HIS 17 2HB HIS 17 12.076 -6.437 2.553 695 HD1 HIS 17 HD1 HIS 17 13.409 -8.939 2.652 696 HD2 HIS 17 HD2 HIS 17 9.286 -8.799 3.226 697 HE1 HIS 17 HE1 HIS 17 12.581 -11.269 2.198 698 HE2 HIS 17 HE2 HIS 17 10.114 -11.205 2.701 699 H THR 18 H THR 18 12.383 -4.959 6.566 700 HA THR 18 HA THR 18 12.680 -2.558 5.209 701 HB THR 18 HB THR 18 13.813 -3.112 7.946 702 HG1 THR 18 HG1 THR 18 11.826 -3.226 8.637 703 HG21 THR 18 1HG2 THR 18 13.326 -0.720 8.303 704 HG22 THR 18 2HG2 THR 18 12.821 -0.596 6.616 705 HG23 THR 18 3HG2 THR 18 14.496 -0.984 7.010 706 H SER 19 H SER 19 15.183 -4.623 6.638 707 HA SER 19 HA SER 19 17.381 -3.030 5.941 708 HB2 SER 19 1HB SER 19 18.662 -5.197 6.187 709 HB3 SER 19 2HB SER 19 17.677 -4.734 7.573 710 HG SER 19 HG SER 19 17.075 -6.774 7.300 711 H THR 20 H THR 20 15.626 -5.522 4.197 712 HA THR 20 HA THR 20 17.351 -5.914 2.049 713 HB THR 20 HB THR 20 14.334 -5.876 1.896 714 HG1 THR 20 HG1 THR 20 16.141 -7.773 2.967 715 HG21 THR 20 1HG2 THR 20 14.671 -7.557 0.139 716 HG22 THR 20 2HG2 THR 20 16.418 -7.389 0.322 717 HG23 THR 20 3HG2 THR 20 15.458 -6.029 -0.261 718 H LEU 21 H LEU 21 14.600 -3.670 2.318 719 HA LEU 21 HA LEU 21 15.084 -2.336 -0.112 720 HB2 LEU 21 1HB LEU 21 13.614 -1.584 2.397 721 HB3 LEU 21 2HB LEU 21 13.780 -0.444 1.085 722 HG LEU 21 HG LEU 21 11.698 -1.338 0.695 723 HD11 LEU 21 1HD1 LEU 21 11.833 -2.747 -1.257 724 HD12 LEU 21 2HD1 LEU 21 13.497 -3.174 -0.861 725 HD13 LEU 21 3HD1 LEU 21 13.094 -1.514 -1.302 726 HD21 LEU 21 1HD2 LEU 21 11.759 -3.044 2.426 727 HD22 LEU 21 2HD2 LEU 21 12.748 -4.072 1.386 728 HD23 LEU 21 3HD2 LEU 21 11.093 -3.680 0.921 729 H LEU 22 H LEU 22 15.932 -1.525 3.214 730 HA LEU 22 HA LEU 22 17.116 0.937 2.833 731 HB2 LEU 22 1HB LEU 22 16.528 -0.296 4.979 732 HB3 LEU 22 2HB LEU 22 18.059 -1.125 4.806 733 HG LEU 22 HG LEU 22 19.218 1.066 4.915 734 HD11 LEU 22 1HD1 LEU 22 17.417 2.488 4.130 735 HD12 LEU 22 2HD1 LEU 22 17.955 3.007 5.726 736 HD13 LEU 22 3HD1 LEU 22 16.456 2.092 5.554 737 HD21 LEU 22 1HD2 LEU 22 18.911 1.362 7.312 738 HD22 LEU 22 2HD2 LEU 22 18.942 -0.351 6.894 739 HD23 LEU 22 3HD2 LEU 22 17.408 0.443 7.244 740 H LEU 23 H LEU 23 18.666 -2.263 2.752 741 HA LEU 23 HA LEU 23 21.286 -1.231 2.350 742 HB2 LEU 23 1HB LEU 23 20.157 -3.988 1.912 743 HB3 LEU 23 2HB LEU 23 21.859 -3.592 1.836 744 HG LEU 23 HG LEU 23 20.100 -3.363 4.276 745 HD11 LEU 23 1HD1 LEU 23 22.305 -5.297 3.582 746 HD12 LEU 23 2HD1 LEU 23 20.584 -5.665 3.696 747 HD13 LEU 23 3HD1 LEU 23 21.482 -5.194 5.139 748 HD21 LEU 23 1HD2 LEU 23 22.203 -2.896 5.466 749 HD22 LEU 23 2HD2 LEU 23 21.801 -1.644 4.293 750 HD23 LEU 23 3HD2 LEU 23 23.047 -2.834 3.918 751 H ASN 24 H ASN 24 18.684 -2.130 0.221 752 HA ASN 24 HA ASN 24 20.460 -2.197 -2.074 753 HB2 ASN 24 1HB ASN 24 17.578 -2.868 -1.657 754 HB3 ASN 24 2HB ASN 24 18.188 -2.590 -3.285 755 HD21 ASN 24 1HD2 ASN 24 18.205 -4.673 -0.537 756 HD22 ASN 24 2HD2 ASN 24 19.059 -5.988 -1.276 757 H GLY 25 H GLY 25 19.306 0.226 -0.369 758 HA2 GLY 25 1HA GLY 25 19.960 2.399 -1.182 759 HA3 GLY 25 2HA GLY 25 19.374 1.933 -2.770 760 H TYR 26 H TYR 26 17.097 0.745 -0.853 761 HA TYR 26 HA TYR 26 15.381 3.048 -1.261 762 HB2 TYR 26 1HB TYR 26 14.801 0.251 -0.298 763 HB3 TYR 26 2HB TYR 26 13.576 1.487 -0.564 764 HD1 TYR 26 HD1 TYR 26 15.398 -1.178 -2.026 765 HD2 TYR 26 HD2 TYR 26 13.501 2.516 -2.933 766 HE1 TYR 26 HE1 TYR 26 15.275 -1.830 -4.393 767 HE2 TYR 26 HE2 TYR 26 13.363 1.876 -5.297 768 HH TYR 26 HH TYR 26 14.705 0.306 -6.840 769 H GLN 27 H GLN 27 16.350 4.405 0.273 770 HA GLN 27 HA GLN 27 16.168 3.539 3.063 771 HB2 GLN 27 1HB GLN 27 17.686 5.876 1.913 772 HB3 GLN 27 2HB GLN 27 17.807 5.241 3.548 773 HG2 GLN 27 1HG GLN 27 18.624 3.101 2.577 774 HG3 GLN 27 2HG GLN 27 18.646 3.886 1.004 775 HE21 GLN 27 1HE2 GLN 27 20.806 2.719 2.560 776 HE22 GLN 27 2HE2 GLN 27 21.972 3.973 2.784 777 H THR 28 H THR 28 14.902 5.761 0.771 778 HA THR 28 HA THR 28 13.347 7.007 2.931 779 HB THR 28 HB THR 28 13.198 9.055 1.646 780 HG1 THR 28 HG1 THR 28 14.895 7.756 -0.259 781 HG21 THR 28 1HG2 THR 28 16.043 8.072 1.876 782 HG22 THR 28 2HG2 THR 28 15.101 8.866 3.139 783 HG23 THR 28 3HG2 THR 28 15.564 9.760 1.689 784 H LEU 29 H LEU 29 11.232 7.870 2.146 785 HA LEU 29 HA LEU 29 9.735 5.873 0.822 786 HB2 LEU 29 1HB LEU 29 9.025 8.772 1.291 787 HB3 LEU 29 2HB LEU 29 7.896 7.471 0.949 788 HG LEU 29 HG LEU 29 9.618 7.676 3.421 789 HD11 LEU 29 1HD1 LEU 29 6.666 8.144 3.049 790 HD12 LEU 29 2HD1 LEU 29 7.881 9.376 3.395 791 HD13 LEU 29 3HD1 LEU 29 7.523 8.130 4.592 792 HD21 LEU 29 1HD2 LEU 29 8.319 5.804 4.241 793 HD22 LEU 29 2HD2 LEU 29 9.148 5.374 2.745 794 HD23 LEU 29 3HD2 LEU 29 7.421 5.738 2.724 795 H GLU 30 H GLU 30 11.408 8.714 -0.202 796 HA GLU 30 HA GLU 30 10.288 8.957 -2.794 797 HB2 GLU 30 1HB GLU 30 12.907 9.905 -1.635 798 HB3 GLU 30 2HB GLU 30 12.318 10.352 -3.232 799 HG2 GLU 30 1HG GLU 30 10.506 11.557 -2.341 800 HG3 GLU 30 2HG GLU 30 10.725 10.855 -0.741 801 H ASP 31 H ASP 31 12.819 6.985 -1.425 802 HA ASP 31 HA ASP 31 13.771 6.066 -3.992 803 HB2 ASP 31 1HB ASP 31 14.177 4.916 -1.219 804 HB3 ASP 31 2HB ASP 31 14.965 4.329 -2.673 805 H PHE 32 H PHE 32 11.728 4.860 -1.393 806 HA PHE 32 HA PHE 32 11.342 2.281 -2.417 807 HB2 PHE 32 1HB PHE 32 10.954 2.991 -0.062 808 HB3 PHE 32 2HB PHE 32 9.494 3.816 -0.591 809 HD1 PHE 32 HD1 PHE 32 7.550 2.550 -1.303 810 HD2 PHE 32 HD2 PHE 32 11.041 0.587 0.113 811 HE1 PHE 32 HE1 PHE 32 6.262 0.485 -1.005 812 HE2 PHE 32 HE2 PHE 32 9.754 -1.491 0.411 813 HZ PHE 32 HZ PHE 32 7.360 -1.539 -0.148 814 H LYS 33 H LYS 33 9.704 5.290 -3.140 815 HA LYS 33 HA LYS 33 7.397 4.131 -4.283 816 HB2 LYS 33 1HB LYS 33 7.129 6.320 -5.443 817 HB3 LYS 33 2HB LYS 33 7.320 6.436 -3.702 818 HG2 LYS 33 1HG LYS 33 9.538 7.215 -3.902 819 HG3 LYS 33 2HG LYS 33 9.602 6.805 -5.616 820 HD2 LYS 33 1HD LYS 33 9.331 9.207 -5.298 821 HD3 LYS 33 2HD LYS 33 7.924 8.511 -6.096 822 HE2 LYS 33 1HE LYS 33 6.852 8.410 -3.796 823 HE3 LYS 33 2HE LYS 33 8.186 9.414 -3.239 824 HZ1 LYS 33 1HZ LYS 33 6.158 10.678 -3.872 825 HZ2 LYS 33 2HZ LYS 33 6.381 10.173 -5.471 826 HZ3 LYS 33 3HZ LYS 33 7.540 11.142 -4.725 827 H GLU 34 H GLU 34 10.584 4.043 -5.302 828 HA GLU 34 HA GLU 34 9.797 3.537 -8.084 829 HB2 GLU 34 1HB GLU 34 12.570 3.868 -6.945 830 HB3 GLU 34 2HB GLU 34 12.148 3.734 -8.646 831 HG2 GLU 34 1HG GLU 34 10.769 5.836 -8.311 832 HG3 GLU 34 2HG GLU 34 11.597 5.996 -6.763 833 H LEU 35 H LEU 35 9.968 1.928 -5.347 834 HA LEU 35 HA LEU 35 11.474 -0.393 -6.080 835 HB2 LEU 35 1HB LEU 35 11.155 0.278 -3.757 836 HB3 LEU 35 2HB LEU 35 9.422 0.143 -3.926 837 HG LEU 35 HG LEU 35 10.742 -1.683 -2.668 838 HD11 LEU 35 1HD1 LEU 35 8.804 -2.590 -4.774 839 HD12 LEU 35 2HD1 LEU 35 8.329 -1.699 -3.327 840 HD13 LEU 35 3HD1 LEU 35 9.083 -3.286 -3.174 841 HD21 LEU 35 1HD2 LEU 35 11.169 -2.586 -5.507 842 HD22 LEU 35 2HD2 LEU 35 11.502 -3.532 -4.055 843 HD23 LEU 35 3HD2 LEU 35 12.427 -2.066 -4.385 844 H ARG 36 H ARG 36 10.835 -1.821 -7.548 845 HA ARG 36 HA ARG 36 7.956 -2.054 -8.093 846 HB2 ARG 36 1HB ARG 36 10.183 -2.331 -10.109 847 HB3 ARG 36 2HB ARG 36 8.460 -2.399 -10.437 848 HG2 ARG 36 1HG ARG 36 10.066 -0.010 -9.579 849 HG3 ARG 36 2HG ARG 36 9.248 -0.267 -11.120 850 HD2 ARG 36 1HD ARG 36 7.922 0.038 -8.431 851 HD3 ARG 36 2HD ARG 36 7.992 1.262 -9.693 852 HE ARG 36 HE ARG 36 6.823 -0.968 -10.838 853 HH11 ARG 36 1HH1 ARG 36 6.134 1.219 -8.200 854 HH12 ARG 36 2HH1 ARG 36 4.410 1.066 -8.345 855 HH21 ARG 36 1HH2 ARG 36 4.557 -1.213 -11.011 856 HH22 ARG 36 2HH2 ARG 36 3.510 -0.338 -9.932 857 H GLU 37 H GLU 37 7.434 -4.159 -9.303 858 HA GLU 37 HA GLU 37 8.003 -6.202 -7.467 859 HB2 GLU 37 1HB GLU 37 5.941 -6.014 -8.839 860 HB3 GLU 37 2HB GLU 37 6.877 -6.507 -10.244 861 HG2 GLU 37 1HG GLU 37 7.294 -8.651 -9.298 862 HG3 GLU 37 2HG GLU 37 6.579 -8.166 -7.759 863 H THR 38 H THR 38 9.238 -5.575 -10.698 864 HA THR 38 HA THR 38 10.816 -7.855 -11.014 865 HB THR 38 HB THR 38 11.388 -5.056 -12.012 866 HG1 THR 38 HG1 THR 38 10.196 -6.987 -13.641 867 HG21 THR 38 1HG2 THR 38 12.265 -7.744 -13.072 868 HG22 THR 38 2HG2 THR 38 13.297 -6.563 -12.264 869 HG23 THR 38 3HG2 THR 38 12.582 -6.184 -13.831 870 H HIS 39 H HIS 39 11.227 -5.043 -9.051 871 HA HIS 39 HA HIS 39 14.064 -5.342 -8.685 872 HB2 HIS 39 1HB HIS 39 12.057 -3.689 -7.138 873 HB3 HIS 39 2HB HIS 39 13.804 -3.591 -6.957 874 HD1 HIS 39 HD1 HIS 39 13.258 -0.996 -7.587 875 HD2 HIS 39 HD2 HIS 39 12.908 -3.799 -10.636 876 HE1 HIS 39 HE1 HIS 39 13.143 0.330 -9.717 877 HE2 HIS 39 HE2 HIS 39 13.197 -1.397 -11.552 878 H LEU 40 H LEU 40 11.121 -6.272 -6.999 879 HA LEU 40 HA LEU 40 12.325 -7.220 -4.632 880 HB2 LEU 40 1HB LEU 40 9.748 -7.830 -6.018 881 HB3 LEU 40 2HB LEU 40 10.247 -8.791 -4.642 882 HG LEU 40 HG LEU 40 10.443 -6.588 -3.378 883 HD11 LEU 40 1HD1 LEU 40 10.439 -5.053 -5.191 884 HD12 LEU 40 2HD1 LEU 40 8.966 -4.808 -4.254 885 HD13 LEU 40 3HD1 LEU 40 8.901 -5.679 -5.781 886 HD21 LEU 40 1HD2 LEU 40 8.677 -8.143 -2.923 887 HD22 LEU 40 2HD2 LEU 40 7.772 -7.583 -4.330 888 HD23 LEU 40 3HD2 LEU 40 8.015 -6.509 -2.953 889 H ASN 41 H ASN 41 11.857 -8.638 -7.782 890 HA ASN 41 HA ASN 41 12.633 -11.269 -7.187 891 HB2 ASN 41 1HB ASN 41 12.949 -9.639 -9.711 892 HB3 ASN 41 2HB ASN 41 13.335 -11.353 -9.611 893 HD21 ASN 41 1HD2 ASN 41 11.374 -10.064 -11.276 894 HD22 ASN 41 2HD2 ASN 41 9.839 -10.743 -10.851 895 H GLU 42 H GLU 42 14.434 -8.351 -7.771 896 HA GLU 42 HA GLU 42 17.013 -9.597 -7.778 897 HB2 GLU 42 1HB GLU 42 16.197 -6.712 -7.418 898 HB3 GLU 42 2HB GLU 42 17.838 -7.274 -7.699 899 HG2 GLU 42 1HG GLU 42 15.521 -7.569 -9.592 900 HG3 GLU 42 2HG GLU 42 16.830 -6.399 -9.727 901 H LEU 43 H LEU 43 14.943 -7.978 -5.473 902 HA LEU 43 HA LEU 43 16.861 -7.865 -3.354 903 HB2 LEU 43 1HB LEU 43 13.863 -7.674 -3.178 904 HB3 LEU 43 2HB LEU 43 15.026 -7.079 -2.012 905 HG LEU 43 HG LEU 43 14.669 -6.008 -4.805 906 HD11 LEU 43 1HD1 LEU 43 12.766 -5.485 -3.413 907 HD12 LEU 43 2HD1 LEU 43 13.740 -4.042 -3.694 908 HD13 LEU 43 3HD1 LEU 43 13.835 -4.882 -2.145 909 HD21 LEU 43 1HD2 LEU 43 16.949 -5.780 -3.994 910 HD22 LEU 43 2HD2 LEU 43 16.353 -5.021 -2.516 911 HD23 LEU 43 3HD2 LEU 43 16.139 -4.215 -4.071 912 H ASN 44 H ASN 44 15.081 -10.331 -4.676 913 HA ASN 44 HA ASN 44 14.771 -12.509 -4.161 914 HB2 ASN 44 1HB ASN 44 17.107 -12.191 -3.139 915 HB3 ASN 44 2HB ASN 44 16.281 -12.108 -1.589 916 HD21 ASN 44 1HD2 ASN 44 15.414 -13.969 -0.707 917 HD22 ASN 44 2HD2 ASN 44 15.731 -15.542 -1.349 918 H ILE 45 H ILE 45 13.081 -10.280 -3.184 919 HA ILE 45 HA ILE 45 11.839 -11.381 -0.807 920 HB ILE 45 HB ILE 45 10.920 -9.091 -2.550 921 HG12 ILE 45 1HG1 ILE 45 12.368 -9.061 0.105 922 HG13 ILE 45 2HG1 ILE 45 13.124 -8.740 -1.450 923 HG21 ILE 45 1HG2 ILE 45 10.028 -9.972 0.197 924 HG22 ILE 45 2HG2 ILE 45 9.090 -10.094 -1.292 925 HG23 ILE 45 3HG2 ILE 45 9.494 -8.509 -0.632 926 HD11 ILE 45 1HD1 ILE 45 12.629 -6.696 -0.215 927 HD12 ILE 45 2HD1 ILE 45 10.916 -7.116 -0.215 928 HD13 ILE 45 3HD1 ILE 45 11.741 -6.775 -1.736 929 H MET 46 H MET 46 11.320 -13.420 -1.592 930 HA MET 46 HA MET 46 9.531 -13.608 -3.885 931 HB2 MET 46 1HB MET 46 10.915 -15.743 -2.267 932 HB3 MET 46 2HB MET 46 9.925 -16.041 -3.688 933 HG2 MET 46 1HG MET 46 12.424 -14.367 -3.688 934 HG3 MET 46 2HG MET 46 12.377 -16.079 -4.092 935 HE1 MET 46 1HE MET 46 11.109 -12.561 -6.714 936 HE2 MET 46 2HE MET 46 12.367 -12.588 -5.479 937 HE3 MET 46 3HE MET 46 10.671 -12.622 -5.008 938 H ASP 47 H ASP 47 9.005 -12.858 -0.880 939 HA ASP 47 HA ASP 47 6.947 -14.702 -0.101 940 HB2 ASP 47 1HB ASP 47 7.662 -11.925 0.849 941 HB3 ASP 47 2HB ASP 47 6.397 -12.903 1.578 942 HA PRO 48 HA PRO 48 4.560 -13.124 -3.525 943 HB2 PRO 48 1HB PRO 48 2.355 -14.615 -2.215 944 HB3 PRO 48 2HB PRO 48 2.934 -14.686 -3.879 945 HG2 PRO 48 1HG PRO 48 3.512 -16.630 -2.165 946 HG3 PRO 48 2HG PRO 48 4.702 -16.074 -3.353 947 HD2 PRO 48 1HD PRO 48 4.547 -15.523 -0.427 948 HD3 PRO 48 2HD PRO 48 5.969 -15.781 -1.455 949 H GLN 49 H GLN 49 2.661 -13.296 -0.500 950 HA GLN 49 HA GLN 49 1.012 -11.094 -1.231 951 HB2 GLN 49 1HB GLN 49 1.446 -12.574 1.351 952 HB3 GLN 49 2HB GLN 49 0.370 -11.192 1.245 953 HG2 GLN 49 1HG GLN 49 -1.018 -12.314 -0.347 954 HG3 GLN 49 2HG GLN 49 0.112 -13.658 -0.454 955 HE21 GLN 49 1HE2 GLN 49 -2.350 -12.122 1.428 956 HE22 GLN 49 2HE2 GLN 49 -2.596 -13.418 2.542 957 H HIS 50 H HIS 50 3.963 -11.470 0.550 958 HA HIS 50 HA HIS 50 3.980 -8.889 1.745 959 HB2 HIS 50 1HB HIS 50 6.213 -10.822 1.141 960 HB3 HIS 50 2HB HIS 50 6.414 -9.357 2.091 961 HD1 HIS 50 HD1 HIS 50 7.172 -11.152 4.012 962 HD2 HIS 50 HD2 HIS 50 3.151 -11.127 2.941 963 HE1 HIS 50 HE1 HIS 50 5.971 -12.377 5.840 964 HE2 HIS 50 HE2 HIS 50 3.573 -12.489 5.094 965 H ARG 51 H ARG 51 5.250 -10.246 -1.234 966 HA ARG 51 HA ARG 51 6.489 -8.006 -2.332 967 HB2 ARG 51 1HB ARG 51 4.843 -10.158 -3.682 968 HB3 ARG 51 2HB ARG 51 5.840 -8.994 -4.541 969 HG2 ARG 51 1HG ARG 51 7.830 -9.892 -3.570 970 HG3 ARG 51 2HG ARG 51 6.888 -10.949 -2.515 971 HD2 ARG 51 1HD ARG 51 7.760 -12.211 -4.386 972 HD3 ARG 51 2HD ARG 51 6.005 -12.108 -4.491 973 HE ARG 51 HE ARG 51 6.805 -10.041 -6.020 974 HH11 ARG 51 1HH1 ARG 51 7.651 -13.432 -5.963 975 HH12 ARG 51 2HH1 ARG 51 8.036 -13.502 -7.654 976 HH21 ARG 51 1HH2 ARG 51 7.301 -10.133 -8.259 977 HH22 ARG 51 2HH2 ARG 51 7.844 -11.622 -8.955 978 H ALA 52 H ALA 52 3.162 -9.114 -2.598 979 HA ALA 52 HA ALA 52 2.121 -7.119 -4.186 980 HB1 ALA 52 1HB ALA 52 -0.017 -7.862 -3.431 981 HB2 ALA 52 2HB ALA 52 0.677 -8.536 -1.960 982 HB3 ALA 52 3HB ALA 52 1.043 -9.265 -3.522 983 H LYS 53 H LYS 53 2.439 -7.214 -0.655 984 HA LYS 53 HA LYS 53 1.165 -4.747 -0.159 985 HB2 LYS 53 1HB LYS 53 3.332 -6.046 1.496 986 HB3 LYS 53 2HB LYS 53 2.188 -4.829 2.040 987 HG2 LYS 53 1HG LYS 53 0.386 -6.535 1.362 988 HG3 LYS 53 2HG LYS 53 1.705 -7.703 1.385 989 HD2 LYS 53 1HD LYS 53 0.888 -7.906 3.527 990 HD3 LYS 53 2HD LYS 53 2.146 -6.697 3.765 991 HE2 LYS 53 1HE LYS 53 0.516 -4.919 3.688 992 HE3 LYS 53 2HE LYS 53 -0.763 -6.075 3.304 993 HZ1 LYS 53 1HZ LYS 53 0.772 -5.900 5.841 994 HZ2 LYS 53 2HZ LYS 53 -0.330 -7.133 5.481 995 HZ3 LYS 53 3HZ LYS 53 -0.864 -5.535 5.618 996 H LEU 54 H LEU 54 4.609 -5.568 -0.443 997 HA LEU 54 HA LEU 54 5.688 -3.053 -0.048 998 HB2 LEU 54 1HB LEU 54 6.624 -5.317 -1.796 999 HB3 LEU 54 2HB LEU 54 7.590 -3.896 -1.458 1000 HG LEU 54 HG LEU 54 6.545 -5.715 0.701 1001 HD11 LEU 54 1HD1 LEU 54 8.804 -6.660 0.772 1002 HD12 LEU 54 2HD1 LEU 54 9.223 -5.737 -0.672 1003 HD13 LEU 54 3HD1 LEU 54 7.991 -6.998 -0.756 1004 HD21 LEU 54 1HD2 LEU 54 7.117 -3.488 1.452 1005 HD22 LEU 54 2HD2 LEU 54 8.685 -3.595 0.651 1006 HD23 LEU 54 3HD2 LEU 54 8.320 -4.643 2.022 1007 H LEU 55 H LEU 55 4.628 -4.538 -3.099 1008 HA LEU 55 HA LEU 55 5.334 -2.399 -4.768 1009 HB2 LEU 55 1HB LEU 55 3.448 -4.684 -4.986 1010 HB3 LEU 55 2HB LEU 55 3.271 -3.369 -6.128 1011 HG LEU 55 HG LEU 55 4.613 -4.986 -7.189 1012 HD11 LEU 55 1HD1 LEU 55 6.630 -3.796 -7.628 1013 HD12 LEU 55 2HD1 LEU 55 6.519 -2.935 -6.096 1014 HD13 LEU 55 3HD1 LEU 55 5.339 -2.623 -7.369 1015 HD21 LEU 55 1HD2 LEU 55 5.225 -6.246 -5.155 1016 HD22 LEU 55 2HD2 LEU 55 6.417 -5.000 -4.778 1017 HD23 LEU 55 3HD2 LEU 55 6.590 -5.973 -6.236 1018 H THR 56 H THR 56 2.326 -3.095 -3.066 1019 HA THR 56 HA THR 56 0.807 -0.998 -4.148 1020 HB THR 56 HB THR 56 0.554 -2.254 -1.417 1021 HG1 THR 56 HG1 THR 56 0.411 -3.894 -2.865 1022 HG21 THR 56 1HG2 THR 56 -1.793 -1.619 -1.589 1023 HG22 THR 56 2HG2 THR 56 -1.488 -0.882 -3.161 1024 HG23 THR 56 3HG2 THR 56 -0.761 -0.192 -1.709 1025 H ALA 57 H ALA 57 2.860 -1.195 -1.284 1026 HA ALA 57 HA ALA 57 2.362 1.358 -0.273 1027 HB1 ALA 57 1HB ALA 57 3.499 -0.229 1.083 1028 HB2 ALA 57 2HB ALA 57 4.609 1.113 0.798 1029 HB3 ALA 57 3HB ALA 57 4.799 -0.396 -0.096 1030 H ALA 58 H ALA 58 4.754 0.203 -2.621 1031 HA ALA 58 HA ALA 58 6.000 2.690 -3.069 1032 HB1 ALA 58 1HB ALA 58 6.988 0.553 -3.732 1033 HB2 ALA 58 2HB ALA 58 6.894 1.675 -5.091 1034 HB3 ALA 58 3HB ALA 58 5.731 0.352 -4.954 1035 H GLU 59 H GLU 59 3.286 1.075 -4.658 1036 HA GLU 59 HA GLU 59 2.836 2.860 -6.745 1037 HB2 GLU 59 1HB GLU 59 0.854 1.222 -5.157 1038 HB3 GLU 59 2HB GLU 59 0.472 2.040 -6.661 1039 HG2 GLU 59 1HG GLU 59 2.578 -0.083 -6.372 1040 HG3 GLU 59 2HG GLU 59 0.925 -0.384 -6.893 1041 H LEU 60 H LEU 60 1.484 2.848 -3.461 1042 HA LEU 60 HA LEU 60 0.022 5.248 -3.865 1043 HB2 LEU 60 1HB LEU 60 0.576 3.462 -1.585 1044 HB3 LEU 60 2HB LEU 60 0.186 5.125 -1.187 1045 HG LEU 60 HG LEU 60 -1.919 4.923 -2.440 1046 HD11 LEU 60 1HD1 LEU 60 -1.259 3.247 -4.060 1047 HD12 LEU 60 2HD1 LEU 60 -2.689 2.722 -3.169 1048 HD13 LEU 60 3HD1 LEU 60 -1.108 2.045 -2.777 1049 HD21 LEU 60 1HD2 LEU 60 -1.387 2.921 -0.274 1050 HD22 LEU 60 2HD2 LEU 60 -3.001 3.291 -0.881 1051 HD23 LEU 60 3HD2 LEU 60 -2.036 4.552 -0.111 1052 H LEU 61 H LEU 61 3.099 4.569 -2.159 1053 HA LEU 61 HA LEU 61 3.542 7.162 -1.226 1054 HB2 LEU 61 1HB LEU 61 5.499 5.037 -2.063 1055 HB3 LEU 61 2HB LEU 61 5.981 6.536 -1.297 1056 HG LEU 61 HG LEU 61 4.190 4.445 -0.069 1057 HD11 LEU 61 1HD1 LEU 61 7.049 5.177 0.525 1058 HD12 LEU 61 2HD1 LEU 61 6.511 3.731 -0.325 1059 HD13 LEU 61 3HD1 LEU 61 6.080 3.967 1.364 1060 HD21 LEU 61 1HD2 LEU 61 4.471 5.755 1.988 1061 HD22 LEU 61 2HD2 LEU 61 3.650 6.678 0.729 1062 HD23 LEU 61 3HD2 LEU 61 5.352 6.983 1.074 1063 H LEU 62 H LEU 62 3.966 5.822 -4.396 1064 HA LEU 62 HA LEU 62 5.646 7.748 -5.529 1065 HB2 LEU 62 1HB LEU 62 5.033 5.589 -6.557 1066 HB3 LEU 62 2HB LEU 62 3.411 6.193 -6.823 1067 HG LEU 62 HG LEU 62 4.262 7.864 -8.385 1068 HD11 LEU 62 1HD1 LEU 62 6.429 8.304 -7.435 1069 HD12 LEU 62 2HD1 LEU 62 6.628 7.761 -9.102 1070 HD13 LEU 62 3HD1 LEU 62 6.952 6.652 -7.767 1071 HD21 LEU 62 1HD2 LEU 62 5.273 5.082 -8.957 1072 HD22 LEU 62 2HD2 LEU 62 4.961 6.337 -10.156 1073 HD23 LEU 62 3HD2 LEU 62 3.629 5.661 -9.219 1074 H ASP 63 H ASP 63 2.207 7.738 -4.904 1075 HA ASP 63 HA ASP 63 1.946 10.355 -6.225 1076 HB2 ASP 63 1HB ASP 63 0.511 8.374 -6.945 1077 HB3 ASP 63 2HB ASP 63 -0.305 8.533 -5.395 1078 H TYR 64 H TYR 64 1.530 8.639 -3.239 1079 HA TYR 64 HA TYR 64 0.177 10.918 -1.981 1080 HB2 TYR 64 1HB TYR 64 0.370 8.017 -1.174 1081 HB3 TYR 64 2HB TYR 64 -0.421 9.256 -0.214 1082 HD1 TYR 64 HD1 TYR 64 -0.643 7.147 -3.175 1083 HD2 TYR 64 HD2 TYR 64 -2.548 10.194 -0.916 1084 HE1 TYR 64 HE1 TYR 64 -2.734 6.717 -4.376 1085 HE2 TYR 64 HE2 TYR 64 -4.647 9.786 -2.112 1086 HH TYR 64 HH TYR 64 -5.430 8.818 -4.200 1087 H ASP 65 H ASP 65 3.032 11.046 -2.338 1088 HA ASP 65 HA ASP 65 4.235 10.321 0.177 1089 HB2 ASP 65 1HB ASP 65 6.246 11.467 -0.675 1090 HB3 ASP 65 2HB ASP 65 5.615 10.293 -1.822 1091 H THR 66 H THR 66 2.039 11.821 0.643 1092 HA THR 66 HA THR 66 1.166 13.623 1.671 1093 HB THR 66 HB THR 66 2.662 14.630 3.477 1094 HG1 THR 66 HG1 THR 66 4.542 13.408 2.107 1095 HG21 THR 66 1HG2 THR 66 2.184 11.655 3.411 1096 HG22 THR 66 2HG2 THR 66 1.028 12.884 3.916 1097 HG23 THR 66 3HG2 THR 66 2.491 12.606 4.861 1098 H GLY 67 H GLY 67 2.229 14.282 -0.891 1099 HA2 GLY 67 1HA GLY 67 3.505 16.872 -0.603 1100 HA3 GLY 67 2HA GLY 67 3.035 16.099 -2.110 1101 H CYS 68 H CYS 68 1.015 16.709 0.690 1102 HA CYS 68 HA CYS 68 -0.912 17.833 1.014 1103 HB2 CYS 68 1HB CYS 68 0.313 19.636 -1.059 1104 HB3 CYS 68 2HB CYS 68 -1.196 20.005 -0.235 1105 H GLU 69 H GLU 69 -3.005 18.482 0.014 1106 HA GLU 69 HA GLU 69 -3.572 16.612 -2.159 1107 HB2 GLU 69 1HB GLU 69 -5.939 16.788 -1.405 1108 HB3 GLU 69 2HB GLU 69 -4.851 16.155 -0.180 1109 HG2 GLU 69 1HG GLU 69 -4.799 18.363 0.889 1110 HG3 GLU 69 2HG GLU 69 -5.931 18.960 -0.323 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 -2.124 8.786 -9.731 2 H2 GLY 1 2H GLY 1 -0.864 9.904 -9.837 3 H3 GLY 1 3H GLY 1 -2.319 10.187 -10.654 4 HA2 GLY 1 2HA GLY 1 -1.912 10.143 -7.721 5 HA3 GLY 1 1HA GLY 1 -2.235 11.561 -8.707 6 HA PRO 2 HA PRO 2 -6.298 8.949 -8.305 7 HB2 PRO 2 1HB PRO 2 -6.009 7.650 -5.723 8 HB3 PRO 2 2HB PRO 2 -6.398 6.934 -7.288 9 HG2 PRO 2 1HG PRO 2 -4.043 6.499 -6.010 10 HG3 PRO 2 2HG PRO 2 -4.207 6.483 -7.776 11 HD2 PRO 2 1HD PRO 2 -3.172 8.649 -5.988 12 HD3 PRO 2 2HD PRO 2 -2.559 8.097 -7.562 13 H LYS 3 H LYS 3 -7.788 10.376 -7.743 14 HA LYS 3 HA LYS 3 -7.552 11.703 -5.125 15 HB2 LYS 3 1HB LYS 3 -9.255 12.597 -7.445 16 HB3 LYS 3 2HB LYS 3 -8.793 13.527 -6.029 17 HG2 LYS 3 1HG LYS 3 -6.915 12.591 -8.184 18 HG3 LYS 3 2HG LYS 3 -7.582 14.215 -8.048 19 HD2 LYS 3 1HD LYS 3 -5.915 12.912 -5.903 20 HD3 LYS 3 2HD LYS 3 -5.240 13.928 -7.176 21 HE2 LYS 3 1HE LYS 3 -6.700 15.775 -6.423 22 HE3 LYS 3 2HE LYS 3 -7.272 14.753 -5.105 23 HZ1 LYS 3 1HZ LYS 3 -5.477 16.298 -4.447 24 HZ2 LYS 3 2HZ LYS 3 -4.431 15.509 -5.517 25 HZ3 LYS 3 3HZ LYS 3 -5.075 14.674 -4.198 26 H THR 4 H THR 4 -9.142 9.344 -6.816 27 HA THR 4 HA THR 4 -11.406 9.415 -4.964 28 HB THR 4 HB THR 4 -12.785 8.400 -6.831 29 HG1 THR 4 HG1 THR 4 -10.557 9.358 -8.345 30 HG21 THR 4 1HG2 THR 4 -11.788 11.227 -7.181 31 HG22 THR 4 2HG2 THR 4 -13.097 10.708 -6.116 32 HG23 THR 4 3HG2 THR 4 -13.277 10.573 -7.865 33 H LEU 5 H LEU 5 -12.560 7.238 -4.969 34 HA LEU 5 HA LEU 5 -10.761 5.340 -3.981 35 HB2 LEU 5 1HB LEU 5 -13.177 5.671 -3.369 36 HB3 LEU 5 2HB LEU 5 -13.606 4.868 -4.862 37 HG LEU 5 HG LEU 5 -13.601 3.558 -2.613 38 HD11 LEU 5 1HD1 LEU 5 -12.384 2.477 -5.143 39 HD12 LEU 5 2HD1 LEU 5 -14.095 2.511 -4.713 40 HD13 LEU 5 3HD1 LEU 5 -12.977 1.490 -3.806 41 HD21 LEU 5 1HD2 LEU 5 -11.494 2.442 -2.133 42 HD22 LEU 5 2HD2 LEU 5 -11.341 4.191 -1.954 43 HD23 LEU 5 3HD2 LEU 5 -10.696 3.390 -3.388 44 H HIS 6 H HIS 6 -12.654 5.334 -6.994 45 HA HIS 6 HA HIS 6 -11.843 2.878 -7.991 46 HB2 HIS 6 1HB HIS 6 -13.652 4.180 -8.981 47 HB3 HIS 6 2HB HIS 6 -12.506 5.395 -9.522 48 HD1 HIS 6 HD1 HIS 6 -12.457 5.206 -11.996 49 HD2 HIS 6 HD2 HIS 6 -12.378 1.478 -10.162 50 HE1 HIS 6 HE1 HIS 6 -12.207 3.539 -13.857 51 HE2 HIS 6 HE2 HIS 6 -12.245 1.289 -12.736 52 H GLU 7 H GLU 7 -10.313 6.039 -8.382 53 HA GLU 7 HA GLU 7 -8.336 5.238 -10.211 54 HB2 GLU 7 1HB GLU 7 -8.276 7.454 -8.167 55 HB3 GLU 7 2HB GLU 7 -7.130 7.275 -9.486 56 HG2 GLU 7 1HG GLU 7 -8.940 7.561 -11.093 57 HG3 GLU 7 2HG GLU 7 -10.086 7.744 -9.764 58 H LEU 8 H LEU 8 -8.499 5.207 -6.717 59 HA LEU 8 HA LEU 8 -5.780 4.623 -6.224 60 HB2 LEU 8 1HB LEU 8 -7.524 5.496 -4.613 61 HB3 LEU 8 2HB LEU 8 -8.144 3.863 -4.517 62 HG LEU 8 HG LEU 8 -6.610 4.641 -2.655 63 HD11 LEU 8 1HD1 LEU 8 -7.154 2.321 -2.886 64 HD12 LEU 8 2HD1 LEU 8 -5.436 2.474 -2.523 65 HD13 LEU 8 3HD1 LEU 8 -5.961 2.133 -4.170 66 HD21 LEU 8 1HD2 LEU 8 -4.965 5.743 -4.110 67 HD22 LEU 8 2HD2 LEU 8 -4.491 4.161 -4.731 68 HD23 LEU 8 3HD2 LEU 8 -4.236 4.553 -3.031 69 H LEU 9 H LEU 9 -8.662 2.600 -6.557 70 HA LEU 9 HA LEU 9 -7.413 0.123 -6.166 71 HB2 LEU 9 1HB LEU 9 -9.893 0.998 -7.590 72 HB3 LEU 9 2HB LEU 9 -9.340 -0.652 -7.756 73 HG LEU 9 HG LEU 9 -11.084 -0.374 -6.027 74 HD11 LEU 9 1HD1 LEU 9 -9.948 -1.652 -4.284 75 HD12 LEU 9 2HD1 LEU 9 -8.390 -1.233 -5.002 76 HD13 LEU 9 3HD1 LEU 9 -9.536 -2.232 -5.899 77 HD21 LEU 9 1HD2 LEU 9 -8.980 1.160 -4.523 78 HD22 LEU 9 2HD2 LEU 9 -10.576 0.699 -3.931 79 HD23 LEU 9 3HD2 LEU 9 -10.425 1.858 -5.252 80 H GLU 10 H GLU 10 -7.838 2.080 -9.077 81 HA GLU 10 HA GLU 10 -6.693 0.232 -10.882 82 HB2 GLU 10 1HB GLU 10 -6.753 3.251 -11.004 83 HB3 GLU 10 2HB GLU 10 -6.353 2.191 -12.348 84 HG2 GLU 10 1HG GLU 10 -8.603 1.240 -12.253 85 HG3 GLU 10 2HG GLU 10 -8.998 2.328 -10.922 86 H ARG 11 H ARG 11 -5.359 2.694 -8.794 87 HA ARG 11 HA ARG 11 -2.761 2.856 -9.827 88 HB2 ARG 11 1HB ARG 11 -4.149 4.210 -7.984 89 HB3 ARG 11 2HB ARG 11 -3.238 3.172 -6.906 90 HG2 ARG 11 1HG ARG 11 -1.910 4.864 -8.997 91 HG3 ARG 11 2HG ARG 11 -2.303 5.476 -7.394 92 HD2 ARG 11 1HD ARG 11 -0.186 4.777 -6.986 93 HD3 ARG 11 2HD ARG 11 -1.036 3.270 -6.664 94 HE ARG 11 HE ARG 11 -0.123 2.348 -8.566 95 HH11 ARG 11 1HH1 ARG 11 0.562 5.801 -8.460 96 HH12 ARG 11 2HH1 ARG 11 1.757 5.713 -9.726 97 HH21 ARG 11 1HH2 ARG 11 1.479 2.243 -10.172 98 HH22 ARG 11 2HH2 ARG 11 2.272 3.699 -10.700 99 H ILE 12 H ILE 12 -4.202 0.767 -7.370 100 HA ILE 12 HA ILE 12 -1.633 -0.519 -6.913 101 HB ILE 12 HB ILE 12 -2.710 -1.704 -5.091 102 HG12 ILE 12 1HG1 ILE 12 -5.227 -0.211 -5.873 103 HG13 ILE 12 2HG1 ILE 12 -4.965 -1.934 -6.117 104 HG21 ILE 12 1HG2 ILE 12 -1.781 0.510 -4.720 105 HG22 ILE 12 2HG2 ILE 12 -3.195 0.243 -3.696 106 HG23 ILE 12 3HG2 ILE 12 -3.331 1.241 -5.143 107 HD11 ILE 12 1HD1 ILE 12 -6.326 -1.503 -4.152 108 HD12 ILE 12 2HD1 ILE 12 -5.028 -0.527 -3.461 109 HD13 ILE 12 3HD1 ILE 12 -4.793 -2.259 -3.714 110 H GLY 13 H GLY 13 -4.448 -1.024 -8.777 111 HA2 GLY 13 1HA GLY 13 -4.415 -2.568 -10.574 112 HA3 GLY 13 2HA GLY 13 -3.274 -3.551 -9.673 113 H LEU 14 H LEU 14 -6.081 -2.336 -8.075 114 HA LEU 14 HA LEU 14 -7.322 -4.995 -8.269 115 HB2 LEU 14 1HB LEU 14 -7.060 -3.158 -5.915 116 HB3 LEU 14 2HB LEU 14 -8.370 -4.315 -6.001 117 HG LEU 14 HG LEU 14 -6.693 -5.311 -4.681 118 HD11 LEU 14 1HD1 LEU 14 -6.386 -6.461 -7.438 119 HD12 LEU 14 2HD1 LEU 14 -7.729 -6.785 -6.342 120 HD13 LEU 14 3HD1 LEU 14 -6.095 -7.289 -5.909 121 HD21 LEU 14 1HD2 LEU 14 -4.729 -4.601 -6.840 122 HD22 LEU 14 2HD2 LEU 14 -4.381 -5.618 -5.442 123 HD23 LEU 14 3HD2 LEU 14 -4.810 -3.923 -5.212 124 H GLU 15 H GLU 15 -7.679 -2.656 -9.938 125 HA GLU 15 HA GLU 15 -10.028 -1.256 -9.419 126 HB2 GLU 15 1HB GLU 15 -10.163 -0.969 -11.888 127 HB3 GLU 15 2HB GLU 15 -8.584 -0.589 -11.215 128 HG2 GLU 15 1HG GLU 15 -7.786 -2.813 -11.910 129 HG3 GLU 15 2HG GLU 15 -9.356 -3.120 -12.647 130 H GLU 16 H GLU 16 -9.539 -4.525 -10.299 131 HA GLU 16 HA GLU 16 -12.034 -5.238 -11.334 132 HB2 GLU 16 1HB GLU 16 -11.430 -7.512 -10.588 133 HB3 GLU 16 2HB GLU 16 -10.096 -6.711 -11.408 134 HG2 GLU 16 1HG GLU 16 -9.162 -6.110 -9.193 135 HG3 GLU 16 2HG GLU 16 -10.447 -7.048 -8.440 136 H HIS 17 H HIS 17 -11.117 -4.307 -8.165 137 HA HIS 17 HA HIS 17 -13.586 -5.467 -7.065 138 HB2 HIS 17 1HB HIS 17 -10.887 -5.066 -5.827 139 HB3 HIS 17 2HB HIS 17 -12.325 -5.178 -4.824 140 HD1 HIS 17 HD1 HIS 17 -13.857 -7.456 -5.621 141 HD2 HIS 17 HD2 HIS 17 -9.720 -7.475 -6.086 142 HE1 HIS 17 HE1 HIS 17 -13.201 -9.877 -5.788 143 HE2 HIS 17 HE2 HIS 17 -10.740 -9.844 -6.299 144 H THR 18 H THR 18 -12.754 -2.696 -8.280 145 HA THR 18 HA THR 18 -13.030 -0.756 -6.305 146 HB THR 18 HB THR 18 -14.245 -0.579 -9.054 147 HG1 THR 18 HG1 THR 18 -12.220 -0.873 -9.638 148 HG21 THR 18 1HG2 THR 18 -14.898 1.197 -7.512 149 HG22 THR 18 2HG2 THR 18 -13.847 1.823 -8.784 150 HG23 THR 18 3HG2 THR 18 -13.200 1.529 -7.168 151 H SER 19 H SER 19 -15.505 -2.456 -8.168 152 HA SER 19 HA SER 19 -17.729 -1.187 -7.013 153 HB2 SER 19 1HB SER 19 -17.749 -2.512 -9.124 154 HB3 SER 19 2HB SER 19 -17.593 -3.977 -8.163 155 HG SER 19 HG SER 19 -19.670 -3.920 -7.972 156 H THR 20 H THR 20 -15.836 -4.002 -6.070 157 HA THR 20 HA THR 20 -17.503 -5.062 -4.100 158 HB THR 20 HB THR 20 -14.489 -4.941 -3.936 159 HG1 THR 20 HG1 THR 20 -16.189 -6.388 -5.632 160 HG21 THR 20 1HG2 THR 20 -16.507 -6.926 -2.890 161 HG22 THR 20 2HG2 THR 20 -15.568 -5.781 -1.930 162 HG23 THR 20 3HG2 THR 20 -14.756 -7.102 -2.776 163 H LEU 21 H LEU 21 -14.854 -2.720 -3.793 164 HA LEU 21 HA LEU 21 -15.298 -2.115 -1.080 165 HB2 LEU 21 1HB LEU 21 -13.912 -0.704 -3.336 166 HB3 LEU 21 2HB LEU 21 -14.084 0.080 -1.786 167 HG LEU 21 HG LEU 21 -11.950 -0.833 -1.712 168 HD11 LEU 21 1HD1 LEU 21 -13.665 -2.961 -0.461 169 HD12 LEU 21 2HD1 LEU 21 -13.285 -1.401 0.268 170 HD13 LEU 21 3HD1 LEU 21 -11.997 -2.565 -0.047 171 HD21 LEU 21 1HD2 LEU 21 -12.092 -2.186 -3.729 172 HD22 LEU 21 2HD2 LEU 21 -13.036 -3.394 -2.856 173 HD23 LEU 21 3HD2 LEU 21 -11.361 -3.086 -2.401 174 H LEU 22 H LEU 22 -16.297 -0.519 -4.060 175 HA LEU 22 HA LEU 22 -17.587 1.703 -3.073 176 HB2 LEU 22 1HB LEU 22 -17.074 1.000 -5.470 177 HB3 LEU 22 2HB LEU 22 -18.559 0.075 -5.404 178 HG LEU 22 HG LEU 22 -19.784 2.203 -4.928 179 HD11 LEU 22 1HD1 LEU 22 -17.919 3.499 -4.056 180 HD12 LEU 22 2HD1 LEU 22 -18.645 4.307 -5.445 181 HD13 LEU 22 3HD1 LEU 22 -17.123 3.433 -5.626 182 HD21 LEU 22 1HD2 LEU 22 -18.203 2.080 -7.489 183 HD22 LEU 22 2HD2 LEU 22 -19.701 2.975 -7.241 184 HD23 LEU 22 3HD2 LEU 22 -19.701 1.213 -7.157 185 H LEU 23 H LEU 23 -18.990 -1.500 -3.713 186 HA LEU 23 HA LEU 23 -21.627 -0.816 -2.961 187 HB2 LEU 23 1HB LEU 23 -20.274 -3.507 -3.072 188 HB3 LEU 23 2HB LEU 23 -21.998 -3.260 -2.901 189 HG LEU 23 HG LEU 23 -20.319 -2.492 -5.289 190 HD11 LEU 23 1HD1 LEU 23 -21.599 -4.221 -6.443 191 HD12 LEU 23 2HD1 LEU 23 -22.417 -4.625 -4.934 192 HD13 LEU 23 3HD1 LEU 23 -20.680 -4.889 -5.093 193 HD21 LEU 23 1HD2 LEU 23 -22.464 -1.929 -6.346 194 HD22 LEU 23 2HD2 LEU 23 -22.108 -0.893 -4.964 195 HD23 LEU 23 3HD2 LEU 23 -23.281 -2.201 -4.807 196 H ASN 24 H ASN 24 -18.853 -1.917 -1.171 197 HA ASN 24 HA ASN 24 -20.497 -2.549 1.145 198 HB2 ASN 24 1HB ASN 24 -17.633 -3.038 0.430 199 HB3 ASN 24 2HB ASN 24 -18.161 -3.162 2.105 200 HD21 ASN 24 1HD2 ASN 24 -18.336 -4.531 -1.068 201 HD22 ASN 24 2HD2 ASN 24 -19.120 -6.007 -0.611 202 H GLY 25 H GLY 25 -19.591 0.216 -0.037 203 HA2 GLY 25 1HA GLY 25 -20.159 2.153 1.244 204 HA3 GLY 25 2HA GLY 25 -19.506 1.361 2.669 205 H TYR 26 H TYR 26 -17.260 0.575 0.611 206 HA TYR 26 HA TYR 26 -15.524 2.743 1.418 207 HB2 TYR 26 1HB TYR 26 -14.980 0.257 -0.203 208 HB3 TYR 26 2HB TYR 26 -13.750 1.368 0.387 209 HD1 TYR 26 HD1 TYR 26 -13.503 1.628 2.902 210 HD2 TYR 26 HD2 TYR 26 -15.757 -1.497 1.110 211 HE1 TYR 26 HE1 TYR 26 -13.358 0.339 4.987 212 HE2 TYR 26 HE2 TYR 26 -15.627 -2.794 3.189 213 HH TYR 26 HH TYR 26 -14.705 -1.472 6.115 214 H GLN 27 H GLN 27 -16.815 4.273 0.139 215 HA GLN 27 HA GLN 27 -16.460 4.062 -2.758 216 HB2 GLN 27 1HB GLN 27 -18.148 6.051 -1.256 217 HB3 GLN 27 2HB GLN 27 -18.261 5.606 -2.953 218 HG2 GLN 27 1HG GLN 27 -18.928 3.327 -2.253 219 HG3 GLN 27 2HG GLN 27 -18.934 3.886 -0.586 220 HE21 GLN 27 1HE2 GLN 27 -21.091 2.798 -2.176 221 HE22 GLN 27 2HE2 GLN 27 -22.334 3.999 -2.185 222 H THR 28 H THR 28 -15.056 5.459 -0.119 223 HA THR 28 HA THR 28 -13.824 7.554 -1.761 224 HB THR 28 HB THR 28 -13.769 9.042 0.203 225 HG1 THR 28 HG1 THR 28 -15.419 8.288 1.902 226 HG21 THR 28 1HG2 THR 28 -15.599 9.305 -1.381 227 HG22 THR 28 2HG2 THR 28 -16.166 9.621 0.259 228 HG23 THR 28 3HG2 THR 28 -16.541 8.084 -0.525 229 H LEU 29 H LEU 29 -11.714 8.239 -0.918 230 HA LEU 29 HA LEU 29 -10.098 6.048 -0.109 231 HB2 LEU 29 1HB LEU 29 -9.478 9.006 -0.088 232 HB3 LEU 29 2HB LEU 29 -8.299 7.710 0.016 233 HG LEU 29 HG LEU 29 -10.085 8.267 -2.353 234 HD11 LEU 29 1HD1 LEU 29 -8.035 8.958 -3.475 235 HD12 LEU 29 2HD1 LEU 29 -7.125 8.702 -1.985 236 HD13 LEU 29 3HD1 LEU 29 -8.354 9.966 -2.062 237 HD21 LEU 29 1HD2 LEU 29 -8.767 6.578 -3.490 238 HD22 LEU 29 2HD2 LEU 29 -9.571 5.896 -2.077 239 HD23 LEU 29 3HD2 LEU 29 -7.850 6.277 -2.015 240 H GLU 30 H GLU 30 -11.762 8.605 1.507 241 HA GLU 30 HA GLU 30 -10.523 8.400 4.035 242 HB2 GLU 30 1HB GLU 30 -13.047 9.601 3.004 243 HB3 GLU 30 2HB GLU 30 -12.841 9.421 4.739 244 HG2 GLU 30 1HG GLU 30 -12.182 11.643 3.857 245 HG3 GLU 30 2HG GLU 30 -10.905 10.807 4.734 246 H ASP 31 H ASP 31 -13.089 6.611 2.482 247 HA ASP 31 HA ASP 31 -13.728 5.225 4.958 248 HB2 ASP 31 1HB ASP 31 -15.381 5.844 3.023 249 HB3 ASP 31 2HB ASP 31 -14.749 4.388 2.264 250 H PHE 32 H PHE 32 -12.125 4.645 1.882 251 HA PHE 32 HA PHE 32 -11.668 1.890 2.186 252 HB2 PHE 32 1HB PHE 32 -11.472 3.066 0.034 253 HB3 PHE 32 2HB PHE 32 -10.041 3.902 0.627 254 HD1 PHE 32 HD1 PHE 32 -7.942 2.738 0.874 255 HD2 PHE 32 HD2 PHE 32 -11.380 0.725 -0.595 256 HE1 PHE 32 HE1 PHE 32 -6.517 0.901 0.080 257 HE2 PHE 32 HE2 PHE 32 -9.961 -1.125 -1.390 258 HZ PHE 32 HZ PHE 32 -7.526 -1.034 -1.051 259 H LYS 33 H LYS 33 -9.928 4.662 3.439 260 HA LYS 33 HA LYS 33 -7.519 3.330 4.050 261 HB2 LYS 33 1HB LYS 33 -7.070 5.194 5.566 262 HB3 LYS 33 2HB LYS 33 -7.682 5.763 4.018 263 HG2 LYS 33 1HG LYS 33 -9.893 6.052 4.987 264 HG3 LYS 33 2HG LYS 33 -9.292 5.469 6.538 265 HD2 LYS 33 1HD LYS 33 -9.431 7.911 6.468 266 HD3 LYS 33 2HD LYS 33 -7.773 7.351 6.686 267 HE2 LYS 33 1HE LYS 33 -7.146 7.966 4.550 268 HE3 LYS 33 2HE LYS 33 -8.793 7.922 3.936 269 HZ1 LYS 33 1HZ LYS 33 -8.278 10.177 4.099 270 HZ2 LYS 33 2HZ LYS 33 -7.508 9.998 5.599 271 HZ3 LYS 33 3HZ LYS 33 -9.188 9.876 5.494 272 H GLU 34 H GLU 34 -10.553 2.787 5.259 273 HA GLU 34 HA GLU 34 -9.561 1.847 7.861 274 HB2 GLU 34 1HB GLU 34 -12.443 2.050 7.019 275 HB3 GLU 34 2HB GLU 34 -11.794 1.952 8.649 276 HG2 GLU 34 1HG GLU 34 -10.769 4.190 8.308 277 HG3 GLU 34 2HG GLU 34 -11.596 4.278 6.755 278 H LEU 35 H LEU 35 -9.776 0.757 4.897 279 HA LEU 35 HA LEU 35 -11.251 -1.674 5.157 280 HB2 LEU 35 1HB LEU 35 -10.936 -0.461 3.040 281 HB3 LEU 35 2HB LEU 35 -9.216 -0.751 3.124 282 HG LEU 35 HG LEU 35 -10.582 -2.161 1.516 283 HD11 LEU 35 1HD1 LEU 35 -9.192 -4.094 1.861 284 HD12 LEU 35 2HD1 LEU 35 -8.876 -3.608 3.525 285 HD13 LEU 35 3HD1 LEU 35 -8.261 -2.632 2.189 286 HD21 LEU 35 1HD2 LEU 35 -11.339 -3.538 4.082 287 HD22 LEU 35 2HD2 LEU 35 -11.655 -4.137 2.454 288 HD23 LEU 35 3HD2 LEU 35 -12.432 -2.656 3.017 289 H ARG 36 H ARG 36 -10.580 -3.565 5.970 290 HA ARG 36 HA ARG 36 -7.701 -3.977 6.396 291 HB2 ARG 36 1HB ARG 36 -9.835 -4.820 8.356 292 HB3 ARG 36 2HB ARG 36 -8.095 -4.894 8.578 293 HG2 ARG 36 1HG ARG 36 -9.784 -2.410 8.428 294 HG3 ARG 36 2HG ARG 36 -9.014 -3.085 9.864 295 HD2 ARG 36 1HD ARG 36 -6.819 -2.674 8.904 296 HD3 ARG 36 2HD ARG 36 -7.565 -2.068 7.425 297 HE ARG 36 HE ARG 36 -8.221 -0.728 9.934 298 HH11 ARG 36 1HH1 ARG 36 -6.446 -0.687 6.914 299 HH12 ARG 36 2HH1 ARG 36 -6.207 1.028 6.941 300 HH21 ARG 36 1HH2 ARG 36 -7.913 1.516 9.965 301 HH22 ARG 36 2HH2 ARG 36 -7.059 2.285 8.664 302 H GLU 37 H GLU 37 -7.282 -6.380 7.002 303 HA GLU 37 HA GLU 37 -8.115 -7.965 4.841 304 HB2 GLU 37 1HB GLU 37 -6.035 -8.356 6.128 305 HB3 GLU 37 2HB GLU 37 -7.007 -8.914 7.483 306 HG2 GLU 37 1HG GLU 37 -7.870 -10.740 6.146 307 HG3 GLU 37 2HG GLU 37 -6.949 -10.171 4.754 308 H THR 38 H THR 38 -9.181 -7.876 8.200 309 HA THR 38 HA THR 38 -10.961 -10.007 8.180 310 HB THR 38 HB THR 38 -11.303 -7.398 9.671 311 HG1 THR 38 HG1 THR 38 -9.899 -9.754 10.476 312 HG21 THR 38 1HG2 THR 38 -13.260 -8.863 9.769 313 HG22 THR 38 2HG2 THR 38 -12.456 -8.770 11.338 314 HG23 THR 38 3HG2 THR 38 -12.241 -10.194 10.318 315 H HIS 39 H HIS 39 -11.223 -6.828 6.825 316 HA HIS 39 HA HIS 39 -14.083 -6.932 6.476 317 HB2 HIS 39 1HB HIS 39 -12.030 -5.035 5.318 318 HB3 HIS 39 2HB HIS 39 -13.777 -4.836 5.199 319 HD1 HIS 39 HD1 HIS 39 -12.599 -2.511 6.454 320 HD2 HIS 39 HD2 HIS 39 -13.381 -5.926 8.683 321 HE1 HIS 39 HE1 HIS 39 -12.568 -1.771 8.848 322 HE2 HIS 39 HE2 HIS 39 -12.934 -3.870 10.188 323 H LEU 40 H LEU 40 -11.214 -7.698 4.651 324 HA LEU 40 HA LEU 40 -12.510 -8.059 2.143 325 HB2 LEU 40 1HB LEU 40 -9.853 -8.623 3.271 326 HB3 LEU 40 2HB LEU 40 -10.354 -9.679 1.964 327 HG LEU 40 HG LEU 40 -10.691 -7.758 0.510 328 HD11 LEU 40 1HD1 LEU 40 -11.323 -6.211 2.362 329 HD12 LEU 40 2HD1 LEU 40 -10.222 -5.542 1.160 330 HD13 LEU 40 3HD1 LEU 40 -9.604 -6.062 2.729 331 HD21 LEU 40 1HD2 LEU 40 -8.026 -7.813 1.895 332 HD22 LEU 40 2HD2 LEU 40 -8.346 -7.004 0.362 333 HD23 LEU 40 3HD2 LEU 40 -8.517 -8.754 0.486 334 H ASN 41 H ASN 41 -12.016 -10.053 4.950 335 HA ASN 41 HA ASN 41 -12.846 -12.513 3.899 336 HB2 ASN 41 1HB ASN 41 -13.386 -11.351 6.641 337 HB3 ASN 41 2HB ASN 41 -13.615 -13.039 6.204 338 HD21 ASN 41 1HD2 ASN 41 -11.952 -12.047 8.267 339 HD22 ASN 41 2HD2 ASN 41 -10.326 -12.490 7.882 340 H GLU 42 H GLU 42 -14.573 -9.678 4.923 341 HA GLU 42 HA GLU 42 -17.194 -10.769 4.589 342 HB2 GLU 42 1HB GLU 42 -16.325 -7.882 4.706 343 HB3 GLU 42 2HB GLU 42 -17.941 -8.504 4.996 344 HG2 GLU 42 1HG GLU 42 -17.119 -9.694 6.970 345 HG3 GLU 42 2HG GLU 42 -15.511 -9.034 6.683 346 H LEU 43 H LEU 43 -14.918 -8.952 2.666 347 HA LEU 43 HA LEU 43 -16.769 -8.369 0.543 348 HB2 LEU 43 1HB LEU 43 -13.764 -8.196 0.490 349 HB3 LEU 43 2HB LEU 43 -14.888 -7.389 -0.584 350 HG LEU 43 HG LEU 43 -14.504 -6.815 2.349 351 HD11 LEU 43 1HD1 LEU 43 -13.880 -5.171 -0.090 352 HD12 LEU 43 2HD1 LEU 43 -12.702 -6.008 0.922 353 HD13 LEU 43 3HD1 LEU 43 -13.654 -4.680 1.589 354 HD21 LEU 43 1HD2 LEU 43 -16.056 -4.972 2.003 355 HD22 LEU 43 2HD2 LEU 43 -16.827 -6.531 1.706 356 HD23 LEU 43 3HD2 LEU 43 -16.337 -5.516 0.349 357 H ASN 44 H ASN 44 -15.141 -11.080 1.486 358 HA ASN 44 HA ASN 44 -14.855 -13.143 0.597 359 HB2 ASN 44 1HB ASN 44 -17.119 -12.516 -0.479 360 HB3 ASN 44 2HB ASN 44 -16.185 -12.238 -1.942 361 HD21 ASN 44 1HD2 ASN 44 -15.303 -13.983 -3.035 362 HD22 ASN 44 2HD2 ASN 44 -15.753 -15.617 -2.687 363 H ILE 45 H ILE 45 -12.950 -11.006 0.252 364 HA ILE 45 HA ILE 45 -11.635 -11.763 -2.259 365 HB ILE 45 HB ILE 45 -10.912 -9.530 -0.356 366 HG12 ILE 45 1HG1 ILE 45 -12.306 -9.410 -3.040 367 HG13 ILE 45 2HG1 ILE 45 -13.109 -9.227 -1.485 368 HG21 ILE 45 1HG2 ILE 45 -9.465 -8.747 -2.167 369 HG22 ILE 45 2HG2 ILE 45 -9.922 -10.144 -3.141 370 HG23 ILE 45 3HG2 ILE 45 -9.010 -10.371 -1.649 371 HD11 ILE 45 1HD1 ILE 45 -12.660 -7.093 -2.641 372 HD12 ILE 45 2HD1 ILE 45 -10.933 -7.416 -2.497 373 HD13 ILE 45 3HD1 ILE 45 -11.915 -7.200 -1.048 374 H MET 46 H MET 46 -11.028 -13.814 -1.535 375 HA MET 46 HA MET 46 -9.352 -14.075 0.816 376 HB2 MET 46 1HB MET 46 -10.278 -16.109 -1.212 377 HB3 MET 46 2HB MET 46 -9.371 -16.485 0.245 378 HG2 MET 46 1HG MET 46 -12.073 -15.165 0.238 379 HG3 MET 46 2HG MET 46 -11.821 -16.899 0.393 380 HE1 MET 46 1HE MET 46 -12.379 -13.683 2.243 381 HE2 MET 46 2HE MET 46 -10.658 -13.448 1.954 382 HE3 MET 46 3HE MET 46 -11.247 -13.697 3.595 383 H ASP 47 H ASP 47 -8.922 -13.364 -2.411 384 HA ASP 47 HA ASP 47 -6.532 -14.660 -3.088 385 HB2 ASP 47 1HB ASP 47 -7.659 -11.991 -3.929 386 HB3 ASP 47 2HB ASP 47 -6.240 -12.720 -4.670 387 HA PRO 48 HA PRO 48 -4.132 -13.017 0.245 388 HB2 PRO 48 1HB PRO 48 -1.892 -14.141 -1.331 389 HB3 PRO 48 2HB PRO 48 -2.362 -14.438 0.342 390 HG2 PRO 48 1HG PRO 48 -2.819 -16.255 -1.541 391 HG3 PRO 48 2HG PRO 48 -3.985 -15.965 -0.238 392 HD2 PRO 48 1HD PRO 48 -4.069 -15.078 -3.088 393 HD3 PRO 48 2HD PRO 48 -5.381 -15.651 -2.040 394 H GLN 49 H GLN 49 -2.683 -12.666 -3.023 395 HA GLN 49 HA GLN 49 -1.111 -10.439 -2.228 396 HB2 GLN 49 1HB GLN 49 -1.889 -11.508 -4.930 397 HB3 GLN 49 2HB GLN 49 -0.928 -10.051 -4.748 398 HG2 GLN 49 1HG GLN 49 0.765 -11.314 -3.531 399 HG3 GLN 49 2HG GLN 49 -0.199 -12.773 -3.709 400 HE21 GLN 49 1HE2 GLN 49 -0.297 -13.791 -5.694 401 HE22 GLN 49 2HE2 GLN 49 0.791 -13.414 -6.984 402 H HIS 50 H HIS 50 -4.261 -10.809 -3.714 403 HA HIS 50 HA HIS 50 -4.687 -8.072 -4.292 404 HB2 HIS 50 1HB HIS 50 -6.656 -10.305 -3.765 405 HB3 HIS 50 2HB HIS 50 -7.117 -8.705 -4.334 406 HD1 HIS 50 HD1 HIS 50 -8.081 -9.965 -6.494 407 HD2 HIS 50 HD2 HIS 50 -3.959 -10.134 -6.000 408 HE1 HIS 50 HE1 HIS 50 -7.164 -10.657 -8.720 409 HE2 HIS 50 HE2 HIS 50 -4.664 -10.640 -8.436 410 H ARG 51 H ARG 51 -5.450 -10.104 -1.531 411 HA ARG 51 HA ARG 51 -6.600 -8.239 0.176 412 HB2 ARG 51 1HB ARG 51 -4.838 -10.630 0.661 413 HB3 ARG 51 2HB ARG 51 -5.463 -9.667 1.992 414 HG2 ARG 51 1HG ARG 51 -7.643 -10.321 1.609 415 HG3 ARG 51 2HG ARG 51 -7.318 -10.770 -0.065 416 HD2 ARG 51 1HD ARG 51 -7.665 -12.689 1.508 417 HD3 ARG 51 2HD ARG 51 -6.168 -12.730 0.585 418 HE ARG 51 HE ARG 51 -5.894 -11.528 3.186 419 HH11 ARG 51 1HH1 ARG 51 -5.929 -14.541 1.406 420 HH12 ARG 51 2HH1 ARG 51 -4.939 -15.382 2.555 421 HH21 ARG 51 1HH2 ARG 51 -4.581 -12.614 4.698 422 HH22 ARG 51 2HH2 ARG 51 -4.160 -14.281 4.425 423 H ALA 52 H ALA 52 -3.213 -9.186 -0.085 424 HA ALA 52 HA ALA 52 -2.164 -7.505 1.835 425 HB1 ALA 52 1HB ALA 52 -0.907 -9.323 0.940 426 HB2 ALA 52 2HB ALA 52 -0.022 -7.834 0.606 427 HB3 ALA 52 3HB ALA 52 -0.944 -8.619 -0.674 428 H LYS 53 H LYS 53 -2.713 -6.881 -1.619 429 HA LYS 53 HA LYS 53 -1.471 -4.334 -1.618 430 HB2 LYS 53 1HB LYS 53 -3.615 -5.339 -3.492 431 HB3 LYS 53 2HB LYS 53 -2.540 -3.977 -3.772 432 HG2 LYS 53 1HG LYS 53 -0.652 -5.713 -3.466 433 HG3 LYS 53 2HG LYS 53 -1.922 -6.898 -3.772 434 HD2 LYS 53 1HD LYS 53 -1.136 -6.573 -5.898 435 HD3 LYS 53 2HD LYS 53 -2.400 -5.342 -5.844 436 HE2 LYS 53 1HE LYS 53 -0.778 -3.631 -5.339 437 HE3 LYS 53 2HE LYS 53 0.503 -4.841 -5.220 438 HZ1 LYS 53 1HZ LYS 53 -1.007 -4.090 -7.665 439 HZ2 LYS 53 2HZ LYS 53 0.115 -5.353 -7.587 440 HZ3 LYS 53 3HZ LYS 53 0.621 -3.760 -7.343 441 H LEU 54 H LEU 54 -4.908 -5.259 -1.521 442 HA LEU 54 HA LEU 54 -6.001 -2.717 -1.310 443 HB2 LEU 54 1HB LEU 54 -6.933 -5.347 -0.175 444 HB3 LEU 54 2HB LEU 54 -7.902 -3.889 -0.148 445 HG LEU 54 HG LEU 54 -6.865 -5.135 -2.686 446 HD11 LEU 54 1HD1 LEU 54 -9.528 -5.475 -1.324 447 HD12 LEU 54 2HD1 LEU 54 -8.324 -6.729 -1.636 448 HD13 LEU 54 3HD1 LEU 54 -9.171 -5.966 -2.982 449 HD21 LEU 54 1HD2 LEU 54 -8.978 -3.062 -2.134 450 HD22 LEU 54 2HD2 LEU 54 -8.615 -3.752 -3.715 451 HD23 LEU 54 3HD2 LEU 54 -7.403 -2.783 -2.876 452 H LEU 55 H LEU 55 -4.864 -4.890 1.219 453 HA LEU 55 HA LEU 55 -5.636 -3.318 3.424 454 HB2 LEU 55 1HB LEU 55 -3.628 -5.499 3.006 455 HB3 LEU 55 2HB LEU 55 -3.696 -4.650 4.534 456 HG LEU 55 HG LEU 55 -5.608 -5.688 5.187 457 HD11 LEU 55 1HD1 LEU 55 -7.042 -4.753 3.479 458 HD12 LEU 55 2HD1 LEU 55 -7.387 -6.468 3.702 459 HD13 LEU 55 3HD1 LEU 55 -6.448 -5.931 2.308 460 HD21 LEU 55 1HD2 LEU 55 -5.713 -8.014 4.264 461 HD22 LEU 55 2HD2 LEU 55 -4.123 -7.500 4.827 462 HD23 LEU 55 3HD2 LEU 55 -4.479 -7.532 3.099 463 H THR 56 H THR 56 -2.530 -3.600 1.720 464 HA THR 56 HA THR 56 -1.099 -1.792 3.328 465 HB THR 56 HB THR 56 -0.665 -2.431 0.411 466 HG1 THR 56 HG1 THR 56 -0.524 -4.334 1.460 467 HG21 THR 56 1HG2 THR 56 1.251 -1.411 2.508 468 HG22 THR 56 2HG2 THR 56 0.589 -0.459 1.179 469 HG23 THR 56 3HG2 THR 56 1.659 -1.822 0.843 470 H ALA 57 H ALA 57 -3.007 -1.337 0.397 471 HA ALA 57 HA ALA 57 -2.469 1.364 -0.028 472 HB1 ALA 57 1HB ALA 57 -4.988 -0.194 -0.579 473 HB2 ALA 57 2HB ALA 57 -3.622 0.024 -1.672 474 HB3 ALA 57 3HB ALA 57 -4.619 1.405 -1.221 475 H ALA 58 H ALA 58 -5.033 -0.198 1.858 476 HA ALA 58 HA ALA 58 -6.202 2.151 2.850 477 HB1 ALA 58 1HB ALA 58 -7.268 -0.054 2.912 478 HB2 ALA 58 2HB ALA 58 -7.257 0.723 4.495 479 HB3 ALA 58 3HB ALA 58 -6.108 -0.570 4.136 480 H GLU 59 H GLU 59 -3.569 0.146 4.066 481 HA GLU 59 HA GLU 59 -3.176 1.352 6.553 482 HB2 GLU 59 1HB GLU 59 -1.162 0.123 4.663 483 HB3 GLU 59 2HB GLU 59 -0.813 0.556 6.327 484 HG2 GLU 59 1HG GLU 59 -2.875 -1.448 5.458 485 HG3 GLU 59 2HG GLU 59 -1.255 -1.835 6.024 486 H LEU 60 H LEU 60 -1.562 2.050 3.450 487 HA LEU 60 HA LEU 60 -0.124 4.261 4.446 488 HB2 LEU 60 1HB LEU 60 -0.617 3.065 1.813 489 HB3 LEU 60 2HB LEU 60 -0.286 4.787 1.787 490 HG LEU 60 HG LEU 60 1.830 4.405 2.960 491 HD11 LEU 60 1HD1 LEU 60 2.679 2.139 3.259 492 HD12 LEU 60 2HD1 LEU 60 1.125 1.489 2.732 493 HD13 LEU 60 3HD1 LEU 60 1.230 2.427 4.223 494 HD21 LEU 60 1HD2 LEU 60 1.959 4.495 0.610 495 HD22 LEU 60 2HD2 LEU 60 1.335 2.856 0.445 496 HD23 LEU 60 3HD2 LEU 60 2.948 3.121 1.113 497 H LEU 61 H LEU 61 -3.213 4.074 2.679 498 HA LEU 61 HA LEU 61 -3.563 6.841 2.355 499 HB2 LEU 61 1HB LEU 61 -5.569 4.613 2.596 500 HB3 LEU 61 2HB LEU 61 -6.005 6.262 2.192 501 HG LEU 61 HG LEU 61 -4.110 4.578 0.568 502 HD11 LEU 61 1HD1 LEU 61 -6.332 3.608 0.589 503 HD12 LEU 61 2HD1 LEU 61 -5.956 4.303 -0.982 504 HD13 LEU 61 3HD1 LEU 61 -7.028 5.160 0.125 505 HD21 LEU 61 1HD2 LEU 61 -4.487 6.284 -1.144 506 HD22 LEU 61 2HD2 LEU 61 -3.783 6.980 0.316 507 HD23 LEU 61 3HD2 LEU 61 -5.503 7.188 -0.017 508 H LEU 62 H LEU 62 -3.904 4.846 5.129 509 HA LEU 62 HA LEU 62 -5.640 6.509 6.630 510 HB2 LEU 62 1HB LEU 62 -5.132 4.110 7.094 511 HB3 LEU 62 2HB LEU 62 -3.532 4.592 7.621 512 HG LEU 62 HG LEU 62 -4.561 5.931 9.433 513 HD11 LEU 62 1HD1 LEU 62 -6.939 5.536 9.959 514 HD12 LEU 62 2HD1 LEU 62 -7.114 4.684 8.425 515 HD13 LEU 62 3HD1 LEU 62 -6.709 6.400 8.441 516 HD21 LEU 62 1HD2 LEU 62 -5.192 4.027 10.815 517 HD22 LEU 62 2HD2 LEU 62 -3.787 3.641 9.820 518 HD23 LEU 62 3HD2 LEU 62 -5.379 3.029 9.373 519 H ASP 63 H ASP 63 -2.221 6.485 5.997 520 HA ASP 63 HA ASP 63 -1.817 8.686 7.905 521 HB2 ASP 63 1HB ASP 63 0.134 6.770 6.632 522 HB3 ASP 63 2HB ASP 63 0.627 8.162 7.587 523 H TYR 64 H TYR 64 -1.428 7.746 4.569 524 HA TYR 64 HA TYR 64 -0.247 10.345 3.890 525 HB2 TYR 64 1HB TYR 64 -0.358 7.748 2.348 526 HB3 TYR 64 2HB TYR 64 0.390 9.228 1.765 527 HD1 TYR 64 HD1 TYR 64 0.736 6.347 3.951 528 HD2 TYR 64 HD2 TYR 64 2.463 10.043 2.772 529 HE1 TYR 64 HE1 TYR 64 2.854 5.680 4.991 530 HE2 TYR 64 HE2 TYR 64 4.590 9.395 3.811 531 HH TYR 64 HH TYR 64 5.382 7.859 5.579 532 H ASP 65 H ASP 65 -2.981 10.396 4.396 533 HA ASP 65 HA ASP 65 -4.436 10.081 1.934 534 HB2 ASP 65 1HB ASP 65 -6.321 11.084 3.191 535 HB3 ASP 65 2HB ASP 65 -5.597 9.714 4.022 536 H THR 66 H THR 66 -2.590 11.502 1.013 537 HA THR 66 HA THR 66 -1.725 13.439 0.245 538 HB THR 66 HB THR 66 -3.526 15.118 -0.569 539 HG1 THR 66 HG1 THR 66 -5.107 13.674 0.845 540 HG21 THR 66 1HG2 THR 66 -2.261 13.556 -1.985 541 HG22 THR 66 2HG2 THR 66 -3.922 13.762 -2.540 542 HG23 THR 66 3HG2 THR 66 -3.462 12.309 -1.656 543 H GLY 67 H GLY 67 -1.707 13.351 2.979 544 HA2 GLY 67 1HA GLY 67 -2.374 16.047 3.869 545 HA3 GLY 67 2HA GLY 67 -1.755 14.742 4.875 546 H CYS 68 H CYS 68 -0.912 17.618 4.169 547 HA CYS 68 HA CYS 68 1.460 17.583 2.707 548 HB2 CYS 68 1HB CYS 68 0.769 19.433 4.988 549 HB3 CYS 68 2HB CYS 68 1.895 19.754 3.674 550 H GLU 69 H GLU 69 3.613 17.578 3.284 551 HA GLU 69 HA GLU 69 4.550 15.675 5.012 552 HB2 GLU 69 1HB GLU 69 5.974 18.195 4.150 553 HB3 GLU 69 2HB GLU 69 6.750 16.764 4.808 554 HG2 GLU 69 1HG GLU 69 6.090 15.467 2.897 555 HG3 GLU 69 2HG GLU 69 5.158 16.819 2.258 556 H1 GLY 1 1H GLY 1 2.087 6.456 11.011 557 H2 GLY 1 2H GLY 1 0.839 7.535 11.366 558 H3 GLY 1 3H GLY 1 2.293 7.616 12.222 559 HA2 GLY 1 2HA GLY 1 1.887 8.231 9.353 560 HA3 GLY 1 1HA GLY 1 2.227 9.391 10.630 561 HA PRO 2 HA PRO 2 6.257 6.887 9.639 562 HB2 PRO 2 1HB PRO 2 5.945 6.192 6.837 563 HB3 PRO 2 2HB PRO 2 6.330 5.145 8.203 564 HG2 PRO 2 1HG PRO 2 3.966 5.027 6.876 565 HG3 PRO 2 2HG PRO 2 4.136 4.622 8.594 566 HD2 PRO 2 1HD PRO 2 3.121 7.140 7.332 567 HD3 PRO 2 2HD PRO 2 2.507 6.262 8.750 568 H LYS 3 H LYS 3 7.763 8.386 9.397 569 HA LYS 3 HA LYS 3 7.532 10.266 7.141 570 HB2 LYS 3 1HB LYS 3 9.251 10.600 9.594 571 HB3 LYS 3 2HB LYS 3 8.800 11.827 8.421 572 HG2 LYS 3 1HG LYS 3 6.912 10.457 10.319 573 HG3 LYS 3 2HG LYS 3 7.599 12.063 10.546 574 HD2 LYS 3 1HD LYS 3 5.917 11.284 8.169 575 HD3 LYS 3 2HD LYS 3 5.253 12.001 9.637 576 HE2 LYS 3 1HE LYS 3 6.740 13.950 9.310 577 HE3 LYS 3 2HE LYS 3 7.293 13.237 7.796 578 HZ1 LYS 3 1HZ LYS 3 5.529 14.917 7.508 579 HZ2 LYS 3 2HZ LYS 3 4.470 13.929 8.384 580 HZ3 LYS 3 3HZ LYS 3 5.094 13.395 6.908 581 H THR 4 H THR 4 9.104 7.574 8.260 582 HA THR 4 HA THR 4 11.361 8.029 6.455 583 HB THR 4 HB THR 4 12.736 6.611 8.041 584 HG1 THR 4 HG1 THR 4 10.526 7.232 9.743 585 HG21 THR 4 1HG2 THR 4 11.767 9.298 9.017 586 HG22 THR 4 2HG2 THR 4 13.070 9.015 7.861 587 HG23 THR 4 3HG2 THR 4 13.250 8.493 9.536 588 H LEU 5 H LEU 5 12.488 5.896 5.971 589 HA LEU 5 HA LEU 5 10.667 4.277 4.603 590 HB2 LEU 5 1HB LEU 5 13.084 4.708 4.066 591 HB3 LEU 5 2HB LEU 5 13.509 3.591 5.343 592 HG LEU 5 HG LEU 5 13.482 2.809 2.860 593 HD11 LEU 5 1HD1 LEU 5 12.260 1.210 5.096 594 HD12 LEU 5 2HD1 LEU 5 13.969 1.319 4.673 595 HD13 LEU 5 3HD1 LEU 5 12.836 0.536 3.570 596 HD21 LEU 5 1HD2 LEU 5 11.361 1.849 2.157 597 HD22 LEU 5 2HD2 LEU 5 11.226 3.595 2.369 598 HD23 LEU 5 3HD2 LEU 5 10.577 2.504 3.594 599 H HIS 6 H HIS 6 12.568 3.591 7.532 600 HA HIS 6 HA HIS 6 11.733 0.981 7.963 601 HB2 HIS 6 1HB HIS 6 13.561 2.012 9.210 602 HB3 HIS 6 2HB HIS 6 12.430 3.089 10.013 603 HD1 HIS 6 HD1 HIS 6 12.372 2.356 12.383 604 HD2 HIS 6 HD2 HIS 6 12.261 -0.874 9.768 605 HE1 HIS 6 HE1 HIS 6 12.114 0.318 13.830 606 HE2 HIS 6 HE2 HIS 6 12.129 -1.631 12.236 607 H GLU 7 H GLU 7 10.234 3.992 9.048 608 HA GLU 7 HA GLU 7 8.253 2.826 10.667 609 HB2 GLU 7 1HB GLU 7 8.213 5.439 9.164 610 HB3 GLU 7 2HB GLU 7 7.069 4.984 10.417 611 HG2 GLU 7 1HG GLU 7 8.888 4.878 12.032 612 HG3 GLU 7 2HG GLU 7 10.031 5.345 10.773 613 H LEU 8 H LEU 8 8.409 3.564 7.252 614 HA LEU 8 HA LEU 8 5.682 3.133 6.656 615 HB2 LEU 8 1HB LEU 8 7.430 4.323 5.268 616 HB3 LEU 8 2HB LEU 8 8.032 2.744 4.810 617 HG LEU 8 HG LEU 8 6.500 3.933 3.175 618 HD11 LEU 8 1HD1 LEU 8 7.020 1.611 2.887 619 HD12 LEU 8 2HD1 LEU 8 5.302 1.859 2.575 620 HD13 LEU 8 3HD1 LEU 8 5.827 1.157 4.103 621 HD21 LEU 8 1HD2 LEU 8 4.870 4.701 4.846 622 HD22 LEU 8 2HD2 LEU 8 4.382 3.026 5.108 623 HD23 LEU 8 3HD2 LEU 8 4.125 3.785 3.537 624 H LEU 9 H LEU 9 8.542 1.057 6.524 625 HA LEU 9 HA LEU 9 7.265 -1.259 5.599 626 HB2 LEU 9 1HB LEU 9 9.757 -0.745 7.167 627 HB3 LEU 9 2HB LEU 9 9.188 -2.386 6.968 628 HG LEU 9 HG LEU 9 10.927 -1.751 5.333 629 HD11 LEU 9 1HD1 LEU 9 9.773 -2.603 3.358 630 HD12 LEU 9 2HD1 LEU 9 8.223 -2.339 4.161 631 HD13 LEU 9 3HD1 LEU 9 9.361 -3.520 4.808 632 HD21 LEU 9 1HD2 LEU 9 8.835 0.099 4.216 633 HD22 LEU 9 2HD2 LEU 9 10.426 -0.233 3.529 634 HD23 LEU 9 3HD2 LEU 9 10.289 0.605 5.075 635 H GLU 10 H GLU 10 7.719 0.002 8.866 636 HA GLU 10 HA GLU 10 6.557 -2.184 10.227 637 HB2 GLU 10 1HB GLU 10 6.652 0.732 11.012 638 HB3 GLU 10 2HB GLU 10 6.241 -0.595 12.089 639 HG2 GLU 10 1HG GLU 10 8.480 -1.526 11.786 640 HG3 GLU 10 2HG GLU 10 8.887 -0.181 10.717 641 H ARG 11 H ARG 11 5.249 0.695 8.747 642 HA ARG 11 HA ARG 11 2.655 0.648 9.798 643 HB2 ARG 11 1HB ARG 11 4.052 2.363 8.294 644 HB3 ARG 11 2HB ARG 11 3.126 1.597 7.017 645 HG2 ARG 11 1HG ARG 11 1.824 2.798 9.438 646 HG3 ARG 11 2HG ARG 11 2.217 3.744 8.006 647 HD2 ARG 11 1HD ARG 11 0.090 3.173 7.467 648 HD3 ARG 11 2HD ARG 11 0.921 1.763 6.816 649 HE ARG 11 HE ARG 11 0.006 0.459 8.480 650 HH11 ARG 11 1HH1 ARG 11 -0.644 3.855 9.130 651 HH12 ARG 11 2HH1 ARG 11 -1.834 3.505 10.351 652 HH21 ARG 11 1HH2 ARG 11 -1.593 0.021 10.041 653 HH22 ARG 11 2HH2 ARG 11 -2.370 1.334 10.870 654 H ILE 12 H ILE 12 4.067 -0.862 6.934 655 HA ILE 12 HA ILE 12 1.480 -1.988 6.216 656 HB ILE 12 HB ILE 12 2.539 -2.755 4.174 657 HG12 ILE 12 1HG1 ILE 12 5.073 -1.496 5.251 658 HG13 ILE 12 2HG1 ILE 12 4.792 -3.228 5.110 659 HG21 ILE 12 1HG2 ILE 12 1.632 -0.505 4.302 660 HG22 ILE 12 2HG2 ILE 12 3.038 -0.554 3.237 661 HG23 ILE 12 3HG2 ILE 12 3.190 0.100 4.867 662 HD11 ILE 12 1HD1 ILE 12 6.153 -2.386 3.281 663 HD12 ILE 12 2HD1 ILE 12 4.863 -1.269 2.830 664 HD13 ILE 12 3HD1 ILE 12 4.610 -3.012 2.695 665 H GLY 13 H GLY 13 4.297 -2.922 7.905 666 HA2 GLY 13 1HA GLY 13 4.250 -4.824 9.311 667 HA3 GLY 13 2HA GLY 13 3.096 -5.571 8.223 668 H LEU 14 H LEU 14 5.910 -4.064 6.921 669 HA LEU 14 HA LEU 14 7.121 -6.714 6.520 670 HB2 LEU 14 1HB LEU 14 6.876 -4.399 4.631 671 HB3 LEU 14 2HB LEU 14 8.171 -5.563 4.454 672 HG LEU 14 HG LEU 14 6.476 -6.222 2.955 673 HD11 LEU 14 1HD1 LEU 14 6.164 -7.950 5.392 674 HD12 LEU 14 2HD1 LEU 14 7.499 -8.037 4.244 675 HD13 LEU 14 3HD1 LEU 14 5.859 -8.415 3.718 676 HD21 LEU 14 1HD2 LEU 14 4.526 -5.987 5.229 677 HD22 LEU 14 2HD2 LEU 14 4.163 -6.668 3.643 678 HD23 LEU 14 3HD2 LEU 14 4.608 -4.967 3.790 679 H GLU 15 H GLU 15 7.509 -4.806 8.662 680 HA GLU 15 HA GLU 15 9.871 -3.348 8.453 681 HB2 GLU 15 1HB GLU 15 10.012 -3.611 10.923 682 HB3 GLU 15 2HB GLU 15 8.437 -3.078 10.356 683 HG2 GLU 15 1HG GLU 15 7.620 -5.395 10.549 684 HG3 GLU 15 2HG GLU 15 9.187 -5.864 11.203 685 H GLU 16 H GLU 16 9.349 -6.723 8.607 686 HA GLU 16 HA GLU 16 11.838 -7.682 9.440 687 HB2 GLU 16 1HB GLU 16 11.203 -9.725 8.207 688 HB3 GLU 16 2HB GLU 16 9.881 -9.112 9.197 689 HG2 GLU 16 1HG GLU 16 8.946 -8.023 7.178 690 HG3 GLU 16 2HG GLU 16 10.215 -8.787 6.225 691 H HIS 17 H HIS 17 10.917 -6.063 6.555 692 HA HIS 17 HA HIS 17 13.370 -6.979 5.214 693 HB2 HIS 17 1HB HIS 17 10.671 -6.291 4.107 694 HB3 HIS 17 2HB HIS 17 12.106 -6.191 3.095 695 HD1 HIS 17 HD1 HIS 17 13.618 -8.602 3.364 696 HD2 HIS 17 HD2 HIS 17 9.482 -8.687 3.834 697 HE1 HIS 17 HE1 HIS 17 12.941 -10.995 2.999 698 HE2 HIS 17 HE2 HIS 17 10.475 -11.057 3.489 699 H THR 18 H THR 18 12.575 -4.535 7.013 700 HA THR 18 HA THR 18 12.866 -2.209 5.515 701 HB THR 18 HB THR 18 14.093 -2.658 8.231 702 HG1 THR 18 HG1 THR 18 12.058 -3.059 8.730 703 HG21 THR 18 1HG2 THR 18 14.762 -0.593 7.109 704 HG22 THR 18 2HG2 THR 18 13.726 -0.251 8.495 705 HG23 THR 18 3HG2 THR 18 13.066 -0.175 6.861 706 H SER 19 H SER 19 15.328 -4.302 6.935 707 HA SER 19 HA SER 19 17.565 -2.834 6.081 708 HB2 SER 19 1HB SER 19 17.580 -4.588 7.855 709 HB3 SER 19 2HB SER 19 17.399 -5.807 6.599 710 HG SER 19 HG SER 19 19.473 -5.732 6.405 711 H THR 20 H THR 20 15.636 -5.351 4.551 712 HA THR 20 HA THR 20 17.289 -5.966 2.385 713 HB THR 20 HB THR 20 14.275 -5.780 2.266 714 HG1 THR 20 HG1 THR 20 15.962 -7.592 3.583 715 HG21 THR 20 1HG2 THR 20 16.268 -7.506 0.799 716 HG22 THR 20 2HG2 THR 20 15.340 -6.167 0.120 717 HG23 THR 20 3HG2 THR 20 14.515 -7.632 0.657 718 H LEU 21 H LEU 21 14.665 -3.586 2.620 719 HA LEU 21 HA LEU 21 15.106 -2.402 0.104 720 HB2 LEU 21 1HB LEU 21 13.747 -1.508 2.624 721 HB3 LEU 21 2HB LEU 21 13.924 -0.404 1.284 722 HG LEU 21 HG LEU 21 11.777 -1.257 1.023 723 HD11 LEU 21 1HD1 LEU 21 13.467 -3.071 -0.676 724 HD12 LEU 21 2HD1 LEU 21 13.097 -1.385 -1.042 725 HD13 LEU 21 3HD1 LEU 21 11.801 -2.581 -0.983 726 HD21 LEU 21 1HD2 LEU 21 11.911 -3.024 2.689 727 HD22 LEU 21 2HD2 LEU 21 12.839 -4.018 1.565 728 HD23 LEU 21 3HD2 LEU 21 11.166 -3.600 1.198 729 H LEU 22 H LEU 22 16.135 -1.516 3.354 730 HA LEU 22 HA LEU 22 17.446 0.857 2.879 731 HB2 LEU 22 1HB LEU 22 16.932 -0.352 5.065 732 HB3 LEU 22 2HB LEU 22 18.406 -1.255 4.790 733 HG LEU 22 HG LEU 22 19.654 0.912 4.787 734 HD11 LEU 22 1HD1 LEU 22 17.804 2.388 4.233 735 HD12 LEU 22 2HD1 LEU 22 18.539 2.860 5.764 736 HD13 LEU 22 3HD1 LEU 22 17.008 1.984 5.752 737 HD21 LEU 22 1HD2 LEU 22 18.081 0.243 7.270 738 HD22 LEU 22 2HD2 LEU 22 19.588 1.157 7.214 739 HD23 LEU 22 3HD2 LEU 22 19.571 -0.544 6.745 740 H LEU 23 H LEU 23 18.813 -2.423 2.789 741 HA LEU 23 HA LEU 23 21.457 -1.619 2.194 742 HB2 LEU 23 1HB LEU 23 20.070 -4.252 1.717 743 HB3 LEU 23 2HB LEU 23 21.798 -3.995 1.593 744 HG LEU 23 HG LEU 23 20.134 -3.755 4.099 745 HD11 LEU 23 1HD1 LEU 23 21.398 -5.708 4.835 746 HD12 LEU 23 2HD1 LEU 23 22.209 -5.778 3.271 747 HD13 LEU 23 3HD1 LEU 23 20.470 -6.051 3.377 748 HD21 LEU 23 1HD2 LEU 23 22.287 -3.456 5.244 749 HD22 LEU 23 2HD2 LEU 23 21.938 -2.137 4.128 750 HD23 LEU 23 3HD2 LEU 23 23.097 -3.387 3.679 751 H ASN 24 H ASN 24 18.667 -2.257 0.215 752 HA ASN 24 HA ASN 24 20.298 -2.393 -2.189 753 HB2 ASN 24 1HB ASN 24 17.429 -2.986 -1.585 754 HB3 ASN 24 2HB ASN 24 17.952 -2.751 -3.249 755 HD21 ASN 24 1HD2 ASN 24 18.117 -4.771 -0.447 756 HD22 ASN 24 2HD2 ASN 24 18.878 -6.127 -1.214 757 H GLY 25 H GLY 25 19.420 0.055 -0.423 758 HA2 GLY 25 1HA GLY 25 20.005 2.222 -1.244 759 HA3 GLY 25 2HA GLY 25 19.344 1.772 -2.806 760 H TYR 26 H TYR 26 17.095 0.573 -0.959 761 HA TYR 26 HA TYR 26 15.380 2.884 -1.263 762 HB2 TYR 26 1HB TYR 26 14.814 0.106 -0.227 763 HB3 TYR 26 2HB TYR 26 13.596 1.332 -0.550 764 HD1 TYR 26 HD1 TYR 26 13.345 2.147 -2.944 765 HD2 TYR 26 HD2 TYR 26 15.566 -1.323 -1.902 766 HE1 TYR 26 HE1 TYR 26 13.176 1.353 -5.260 767 HE2 TYR 26 HE2 TYR 26 15.413 -2.126 -4.217 768 HH TYR 26 HH TYR 26 14.509 -0.186 -6.772 769 H GLN 27 H GLN 27 16.694 4.075 0.317 770 HA GLN 27 HA GLN 27 16.349 3.236 3.099 771 HB2 GLN 27 1HB GLN 27 18.052 5.491 2.059 772 HB3 GLN 27 2HB GLN 27 18.166 4.684 3.616 773 HG2 GLN 27 1HG GLN 27 18.801 2.606 2.425 774 HG3 GLN 27 2HG GLN 27 18.818 3.523 0.925 775 HE21 GLN 27 1HE2 GLN 27 20.961 2.081 2.218 776 HE22 GLN 27 2HE2 GLN 27 22.218 3.230 2.510 777 H THR 28 H THR 28 14.947 5.192 0.843 778 HA THR 28 HA THR 28 13.747 6.892 2.912 779 HB THR 28 HB THR 28 13.706 8.768 1.307 780 HG1 THR 28 HG1 THR 28 15.326 8.401 -0.515 781 HG21 THR 28 1HG2 THR 28 15.534 8.667 2.916 782 HG22 THR 28 2HG2 THR 28 16.105 9.327 1.383 783 HG23 THR 28 3HG2 THR 28 16.468 7.654 1.813 784 H LEU 29 H LEU 29 11.646 7.763 2.246 785 HA LEU 29 HA LEU 29 9.997 5.826 0.983 786 HB2 LEU 29 1HB LEU 29 9.418 8.724 1.621 787 HB3 LEU 29 2HB LEU 29 8.221 7.498 1.240 788 HG LEU 29 HG LEU 29 10.019 7.496 3.664 789 HD11 LEU 29 1HD1 LEU 29 7.981 7.948 4.922 790 HD12 LEU 29 2HD1 LEU 29 7.064 8.039 3.417 791 HD13 LEU 29 3HD1 LEU 29 8.310 9.238 3.764 792 HD21 LEU 29 1HD2 LEU 29 8.684 5.613 4.407 793 HD22 LEU 29 2HD2 LEU 29 9.475 5.250 2.874 794 HD23 LEU 29 3HD2 LEU 29 7.759 5.657 2.906 795 H GLU 30 H GLU 30 11.683 8.665 -0.032 796 HA GLU 30 HA GLU 30 10.443 9.032 -2.540 797 HB2 GLU 30 1HB GLU 30 12.981 9.948 -1.278 798 HB3 GLU 30 2HB GLU 30 12.771 10.158 -3.010 799 HG2 GLU 30 1HG GLU 30 12.137 12.136 -1.656 800 HG3 GLU 30 2HG GLU 30 10.852 11.529 -2.694 801 H ASP 31 H ASP 31 12.995 6.920 -1.432 802 HA ASP 31 HA ASP 31 13.608 6.101 -4.156 803 HB2 ASP 31 1HB ASP 31 15.276 6.262 -2.142 804 HB3 ASP 31 2HB ASP 31 14.631 4.682 -1.719 805 H PHE 32 H PHE 32 12.009 4.875 -1.275 806 HA PHE 32 HA PHE 32 11.518 2.261 -2.179 807 HB2 PHE 32 1HB PHE 32 11.340 2.937 0.181 808 HB3 PHE 32 2HB PHE 32 9.917 3.898 -0.206 809 HD1 PHE 32 HD1 PHE 32 7.804 2.838 -0.695 810 HD2 PHE 32 HD2 PHE 32 11.223 0.517 0.279 811 HE1 PHE 32 HE1 PHE 32 6.360 0.887 -0.319 812 HE2 PHE 32 HE2 PHE 32 9.786 -1.448 0.653 813 HZ PHE 32 HZ PHE 32 7.350 -1.261 0.355 814 H LYS 33 H LYS 33 9.807 5.262 -2.783 815 HA LYS 33 HA LYS 33 7.380 4.120 -3.657 816 HB2 LYS 33 1HB LYS 33 6.945 6.278 -4.721 817 HB3 LYS 33 2HB LYS 33 7.569 6.485 -3.091 818 HG2 LYS 33 1HG LYS 33 9.781 6.959 -3.984 819 HG3 LYS 33 2HG LYS 33 9.169 6.736 -5.622 820 HD2 LYS 33 1HD LYS 33 9.332 9.102 -5.019 821 HD3 LYS 33 2HD LYS 33 7.668 8.621 -5.343 822 HE2 LYS 33 1HE LYS 33 7.058 8.760 -3.121 823 HE3 LYS 33 2HE LYS 33 8.709 8.565 -2.543 824 HZ1 LYS 33 1HZ LYS 33 8.220 10.807 -2.202 825 HZ2 LYS 33 2HZ LYS 33 7.440 10.971 -3.699 826 HZ3 LYS 33 3HZ LYS 33 9.121 10.812 -3.638 827 H GLU 34 H GLU 34 10.404 3.829 -4.973 828 HA GLU 34 HA GLU 34 9.392 3.494 -7.713 829 HB2 GLU 34 1HB GLU 34 12.279 3.480 -6.862 830 HB3 GLU 34 2HB GLU 34 11.626 3.750 -8.470 831 HG2 GLU 34 1HG GLU 34 10.622 5.864 -7.638 832 HG3 GLU 34 2HG GLU 34 11.451 5.600 -6.108 833 H LEU 35 H LEU 35 9.611 1.778 -5.062 834 HA LEU 35 HA LEU 35 11.053 -0.553 -5.861 835 HB2 LEU 35 1HB LEU 35 10.754 0.166 -3.526 836 HB3 LEU 35 2HB LEU 35 9.031 -0.080 -3.666 837 HG LEU 35 HG LEU 35 10.384 -1.824 -2.414 838 HD11 LEU 35 1HD1 LEU 35 8.973 -3.618 -3.170 839 HD12 LEU 35 2HD1 LEU 35 8.657 -2.774 -4.684 840 HD13 LEU 35 3HD1 LEU 35 8.058 -2.110 -3.162 841 HD21 LEU 35 1HD2 LEU 35 11.118 -2.612 -5.225 842 HD22 LEU 35 2HD2 LEU 35 11.432 -3.557 -3.770 843 HD23 LEU 35 3HD2 LEU 35 12.225 -1.998 -3.998 844 H ARG 36 H ARG 36 10.357 -2.214 -7.064 845 HA ARG 36 HA ARG 36 7.472 -2.492 -7.556 846 HB2 ARG 36 1HB ARG 36 9.589 -2.903 -9.666 847 HB3 ARG 36 2HB ARG 36 7.848 -2.910 -9.891 848 HG2 ARG 36 1HG ARG 36 9.565 -0.536 -9.204 849 HG3 ARG 36 2HG ARG 36 8.778 -0.868 -10.749 850 HD2 ARG 36 1HD ARG 36 6.595 -0.658 -9.704 851 HD3 ARG 36 2HD ARG 36 7.354 -0.401 -8.134 852 HE ARG 36 HE ARG 36 8.007 1.448 -10.296 853 HH11 ARG 36 1HH1 ARG 36 6.248 0.849 -7.327 854 HH12 ARG 36 2HH1 ARG 36 6.037 2.533 -6.968 855 HH21 ARG 36 1HH2 ARG 36 7.731 3.650 -9.837 856 HH22 ARG 36 2HH2 ARG 36 6.901 4.131 -8.386 857 H GLU 37 H GLU 37 7.020 -4.696 -8.661 858 HA GLU 37 HA GLU 37 7.848 -6.731 -6.919 859 HB2 GLU 37 1HB GLU 37 5.756 -6.801 -8.246 860 HB3 GLU 37 2HB GLU 37 6.713 -7.056 -9.694 861 HG2 GLU 37 1HG GLU 37 7.547 -9.150 -8.811 862 HG3 GLU 37 2HG GLU 37 6.644 -8.892 -7.319 863 H THR 38 H THR 38 8.894 -5.916 -10.191 864 HA THR 38 HA THR 38 10.658 -8.007 -10.648 865 HB THR 38 HB THR 38 11.024 -5.135 -11.521 866 HG1 THR 38 HG1 THR 38 9.603 -7.227 -12.842 867 HG21 THR 38 1HG2 THR 38 12.963 -6.564 -11.953 868 HG22 THR 38 2HG2 THR 38 12.158 -6.116 -13.456 869 HG23 THR 38 3HG2 THR 38 11.926 -7.727 -12.778 870 H HIS 39 H HIS 39 10.958 -5.212 -8.623 871 HA HIS 39 HA HIS 39 13.816 -5.415 -8.323 872 HB2 HIS 39 1HB HIS 39 11.784 -3.805 -6.765 873 HB3 HIS 39 2HB HIS 39 13.534 -3.654 -6.611 874 HD1 HIS 39 HD1 HIS 39 12.381 -1.096 -7.317 875 HD2 HIS 39 HD2 HIS 39 13.123 -3.946 -10.247 876 HE1 HIS 39 HE1 HIS 39 12.348 0.152 -9.491 877 HE2 HIS 39 HE2 HIS 39 12.712 -1.600 -11.263 878 H LEU 40 H LEU 40 10.947 -6.537 -6.693 879 HA LEU 40 HA LEU 40 12.249 -7.461 -4.336 880 HB2 LEU 40 1HB LEU 40 9.580 -7.733 -5.547 881 HB3 LEU 40 2HB LEU 40 10.074 -9.056 -4.507 882 HG LEU 40 HG LEU 40 10.435 -7.505 -2.668 883 HD11 LEU 40 1HD1 LEU 40 11.077 -5.596 -4.136 884 HD12 LEU 40 2HD1 LEU 40 9.988 -5.197 -2.811 885 HD13 LEU 40 3HD1 LEU 40 9.360 -5.353 -4.455 886 HD21 LEU 40 1HD2 LEU 40 7.765 -7.228 -4.018 887 HD22 LEU 40 2HD2 LEU 40 8.098 -6.779 -2.346 888 HD23 LEU 40 3HD2 LEU 40 8.249 -8.461 -2.853 889 H ASN 41 H ASN 41 11.713 -8.785 -7.513 890 HA ASN 41 HA ASN 41 12.524 -11.421 -7.037 891 HB2 ASN 41 1HB ASN 41 13.073 -9.689 -9.459 892 HB3 ASN 41 2HB ASN 41 13.279 -11.434 -9.405 893 HD21 ASN 41 1HD2 ASN 41 11.628 -9.988 -11.189 894 HD22 ASN 41 2HD2 ASN 41 9.991 -10.470 -10.902 895 H GLU 42 H GLU 42 14.280 -8.450 -7.408 896 HA GLU 42 HA GLU 42 16.892 -9.620 -7.340 897 HB2 GLU 42 1HB GLU 42 16.060 -6.766 -6.820 898 HB3 GLU 42 2HB GLU 42 17.667 -7.328 -7.250 899 HG2 GLU 42 1HG GLU 42 16.821 -8.044 -9.431 900 HG3 GLU 42 2HG GLU 42 15.222 -7.448 -8.995 901 H LEU 43 H LEU 43 14.635 -8.250 -5.055 902 HA LEU 43 HA LEU 43 16.503 -8.158 -2.868 903 HB2 LEU 43 1HB LEU 43 13.501 -7.972 -2.760 904 HB3 LEU 43 2HB LEU 43 14.635 -7.432 -1.540 905 HG LEU 43 HG LEU 43 14.251 -6.221 -4.272 906 HD11 LEU 43 1HD1 LEU 43 13.653 -5.150 -1.527 907 HD12 LEU 43 2HD1 LEU 43 12.462 -5.729 -2.693 908 HD13 LEU 43 3HD1 LEU 43 13.428 -4.297 -3.055 909 HD21 LEU 43 1HD2 LEU 43 15.826 -4.518 -3.536 910 HD22 LEU 43 2HD2 LEU 43 16.577 -6.113 -3.594 911 HD23 LEU 43 3HD2 LEU 43 16.104 -5.417 -2.043 912 H ASN 44 H ASN 44 14.836 -10.579 -4.370 913 HA ASN 44 HA ASN 44 14.536 -12.784 -3.959 914 HB2 ASN 44 1HB ASN 44 16.809 -12.437 -2.786 915 HB3 ASN 44 2HB ASN 44 15.885 -12.475 -1.291 916 HD21 ASN 44 1HD2 ASN 44 14.983 -14.408 -0.604 917 HD22 ASN 44 2HD2 ASN 44 15.413 -15.930 -1.303 918 H ILE 45 H ILE 45 12.656 -10.758 -3.144 919 HA ILE 45 HA ILE 45 11.339 -12.033 -0.857 920 HB ILE 45 HB ILE 45 10.634 -9.429 -2.215 921 HG12 ILE 45 1HG1 ILE 45 12.037 -9.919 0.420 922 HG13 ILE 45 2HG1 ILE 45 12.837 -9.407 -1.060 923 HG21 ILE 45 1HG2 ILE 45 9.200 -9.050 -0.268 924 HG22 ILE 45 2HG2 ILE 45 9.642 -10.635 0.369 925 HG23 ILE 45 3HG2 ILE 45 8.725 -10.514 -1.132 926 HD11 ILE 45 1HD1 ILE 45 12.420 -7.578 0.544 927 HD12 ILE 45 2HD1 ILE 45 10.688 -7.840 0.339 928 HD13 ILE 45 3HD1 ILE 45 11.670 -7.319 -1.030 929 H MET 46 H MET 46 10.706 -13.875 -2.007 930 HA MET 46 HA MET 46 9.019 -13.586 -4.347 931 HB2 MET 46 1HB MET 46 9.927 -16.032 -2.833 932 HB3 MET 46 2HB MET 46 9.006 -16.063 -4.328 933 HG2 MET 46 1HG MET 46 11.725 -14.814 -4.052 934 HG3 MET 46 2HG MET 46 11.446 -16.467 -4.586 935 HE1 MET 46 1HE MET 46 12.044 -12.928 -5.677 936 HE2 MET 46 2HE MET 46 10.328 -12.739 -5.334 937 HE3 MET 46 3HE MET 46 10.908 -12.625 -6.992 938 H ASP 47 H ASP 47 8.605 -13.594 -1.047 939 HA ASP 47 HA ASP 47 6.206 -14.987 -0.658 940 HB2 ASP 47 1HB ASP 47 7.363 -12.578 0.742 941 HB3 ASP 47 2HB ASP 47 5.939 -13.438 1.311 942 HA PRO 48 HA PRO 48 3.815 -12.626 -3.538 943 HB2 PRO 48 1HB PRO 48 1.568 -14.045 -2.234 944 HB3 PRO 48 2HB PRO 48 2.028 -13.971 -3.934 945 HG2 PRO 48 1HG PRO 48 2.471 -16.164 -2.500 946 HG3 PRO 48 2HG PRO 48 3.635 -15.608 -3.715 947 HD2 PRO 48 1HD PRO 48 3.742 -15.370 -0.742 948 HD3 PRO 48 2HD PRO 48 5.043 -15.710 -1.899 949 H GLN 49 H GLN 49 2.384 -12.986 -0.264 950 HA GLN 49 HA GLN 49 0.830 -10.626 -0.541 951 HB2 GLN 49 1HB GLN 49 1.604 -12.273 1.852 952 HB3 GLN 49 2HB GLN 49 0.658 -10.803 2.003 953 HG2 GLN 49 1HG GLN 49 -1.047 -11.750 0.534 954 HG3 GLN 49 2HG GLN 49 -0.099 -13.225 0.397 955 HE21 GLN 49 1HE2 GLN 49 -0.015 -14.643 2.120 956 HE22 GLN 49 2HE2 GLN 49 -1.098 -14.537 3.460 957 H HIS 50 H HIS 50 3.980 -11.343 0.802 958 HA HIS 50 HA HIS 50 4.436 -8.808 1.976 959 HB2 HIS 50 1HB HIS 50 6.378 -10.888 0.959 960 HB3 HIS 50 2HB HIS 50 6.858 -9.458 1.864 961 HD1 HIS 50 HD1 HIS 50 7.812 -11.169 3.690 962 HD2 HIS 50 HD2 HIS 50 3.687 -11.189 3.188 963 HE1 HIS 50 HE1 HIS 50 6.893 -12.325 5.709 964 HE2 HIS 50 HE2 HIS 50 4.395 -12.208 5.455 965 H ARG 51 H ARG 51 5.167 -10.186 -1.169 966 HA ARG 51 HA ARG 51 6.338 -8.005 -2.427 967 HB2 ARG 51 1HB ARG 51 4.547 -10.210 -3.419 968 HB3 ARG 51 2HB ARG 51 5.182 -8.985 -4.507 969 HG2 ARG 51 1HG ARG 51 7.354 -9.729 -4.287 970 HG3 ARG 51 2HG ARG 51 7.026 -10.534 -2.751 971 HD2 ARG 51 1HD ARG 51 7.350 -12.064 -4.710 972 HD3 ARG 51 2HD ARG 51 5.851 -12.288 -3.815 973 HE ARG 51 HE ARG 51 5.587 -10.538 -6.081 974 HH11 ARG 51 1HH1 ARG 51 5.582 -13.868 -5.007 975 HH12 ARG 51 2HH1 ARG 51 4.589 -14.427 -6.314 976 HH21 ARG 51 1HH2 ARG 51 4.267 -11.252 -7.801 977 HH22 ARG 51 2HH2 ARG 51 3.831 -12.935 -7.903 978 H ALA 52 H ALA 52 2.942 -8.952 -2.365 979 HA ALA 52 HA ALA 52 1.904 -6.878 -3.860 980 HB1 ALA 52 1HB ALA 52 0.630 -8.836 -3.381 981 HB2 ALA 52 2HB ALA 52 -0.236 -7.449 -2.721 982 HB3 ALA 52 3HB ALA 52 0.681 -8.506 -1.652 983 H LYS 53 H LYS 53 2.472 -7.036 -0.358 984 HA LYS 53 HA LYS 53 1.257 -4.538 0.210 985 HB2 LYS 53 1HB LYS 53 3.394 -5.957 1.807 986 HB3 LYS 53 2HB LYS 53 2.334 -4.680 2.387 987 HG2 LYS 53 1HG LYS 53 0.426 -6.286 1.715 988 HG3 LYS 53 2HG LYS 53 1.683 -7.522 1.743 989 HD2 LYS 53 1HD LYS 53 0.909 -7.669 3.893 990 HD3 LYS 53 2HD LYS 53 2.187 -6.470 4.106 991 HE2 LYS 53 1HE LYS 53 0.583 -4.673 3.999 992 HE3 LYS 53 2HE LYS 53 -0.713 -5.813 3.627 993 HZ1 LYS 53 1HZ LYS 53 0.817 -5.626 6.168 994 HZ2 LYS 53 2HZ LYS 53 -0.306 -6.841 5.821 995 HZ3 LYS 53 3HZ LYS 53 -0.813 -5.235 5.934 996 H LEU 54 H LEU 54 4.684 -5.460 -0.111 997 HA LEU 54 HA LEU 54 5.804 -2.944 0.244 998 HB2 LEU 54 1HB LEU 54 6.706 -5.265 -1.450 999 HB3 LEU 54 2HB LEU 54 7.691 -3.848 -1.156 1000 HG LEU 54 HG LEU 54 6.645 -5.615 1.046 1001 HD11 LEU 54 1HD1 LEU 54 9.302 -5.672 -0.368 1002 HD12 LEU 54 2HD1 LEU 54 8.084 -6.951 -0.338 1003 HD13 LEU 54 3HD1 LEU 54 8.942 -6.514 1.140 1004 HD21 LEU 54 1HD2 LEU 54 8.780 -3.494 0.956 1005 HD22 LEU 54 2HD2 LEU 54 8.412 -4.512 2.347 1006 HD23 LEU 54 3HD2 LEU 54 7.209 -3.369 1.747 1007 H LEU 55 H LEU 55 4.635 -4.492 -2.696 1008 HA LEU 55 HA LEU 55 5.421 -2.479 -4.502 1009 HB2 LEU 55 1HB LEU 55 3.392 -4.678 -4.568 1010 HB3 LEU 55 2HB LEU 55 3.463 -3.512 -5.871 1011 HG LEU 55 HG LEU 55 5.364 -4.397 -6.747 1012 HD11 LEU 55 1HD1 LEU 55 6.812 -3.881 -4.879 1013 HD12 LEU 55 2HD1 LEU 55 7.137 -5.508 -5.478 1014 HD13 LEU 55 3HD1 LEU 55 6.207 -5.282 -3.996 1015 HD21 LEU 55 1HD2 LEU 55 5.445 -6.870 -6.361 1016 HD22 LEU 55 2HD2 LEU 55 3.860 -6.226 -6.790 1017 HD23 LEU 55 3HD2 LEU 55 4.219 -6.644 -5.114 1018 H THR 56 H THR 56 2.317 -3.097 -2.889 1019 HA THR 56 HA THR 56 0.902 -0.965 -4.051 1020 HB THR 56 HB THR 56 0.468 -2.227 -1.344 1021 HG1 THR 56 HG1 THR 56 0.300 -3.850 -2.788 1022 HG21 THR 56 1HG2 THR 56 -1.439 -0.748 -3.154 1023 HG22 THR 56 2HG2 THR 56 -0.762 -0.119 -1.653 1024 HG23 THR 56 3HG2 THR 56 -1.849 -1.510 -1.619 1025 H ALA 57 H ALA 57 2.824 -1.188 -1.102 1026 HA ALA 57 HA ALA 57 2.319 1.356 -0.088 1027 HB1 ALA 57 1HB ALA 57 4.821 -0.310 0.092 1028 HB2 ALA 57 2HB ALA 57 3.460 -0.324 1.214 1029 HB3 ALA 57 3HB ALA 57 4.473 1.111 1.074 1030 H ALA 58 H ALA 58 4.857 0.222 -2.287 1031 HA ALA 58 HA ALA 58 6.053 2.720 -2.738 1032 HB1 ALA 58 1HB ALA 58 7.096 0.576 -3.289 1033 HB2 ALA 58 2HB ALA 58 7.087 1.680 -4.665 1034 HB3 ALA 58 3HB ALA 58 5.928 0.351 -4.591 1035 H GLU 59 H GLU 59 3.393 1.062 -4.351 1036 HA GLU 59 HA GLU 59 3.009 2.792 -6.511 1037 HB2 GLU 59 1HB GLU 59 0.987 1.197 -4.929 1038 HB3 GLU 59 2HB GLU 59 0.638 1.993 -6.454 1039 HG2 GLU 59 1HG GLU 59 2.679 -0.177 -6.061 1040 HG3 GLU 59 2HG GLU 59 1.053 -0.410 -6.692 1041 H LEU 60 H LEU 60 1.410 2.805 -3.323 1042 HA LEU 60 HA LEU 60 -0.004 5.196 -3.799 1043 HB2 LEU 60 1HB LEU 60 0.482 3.443 -1.497 1044 HB3 LEU 60 2HB LEU 60 0.170 5.120 -1.090 1045 HG LEU 60 HG LEU 60 -1.953 5.027 -2.309 1046 HD11 LEU 60 1HD1 LEU 60 -2.828 2.892 -3.095 1047 HD12 LEU 60 2HD1 LEU 60 -1.279 2.126 -2.734 1048 HD13 LEU 60 3HD1 LEU 60 -1.381 3.372 -3.980 1049 HD21 LEU 60 1HD2 LEU 60 -2.075 4.598 0.004 1050 HD22 LEU 60 2HD2 LEU 60 -1.471 2.956 -0.199 1051 HD23 LEU 60 3HD2 LEU 60 -3.081 3.379 -0.786 1052 H LEU 61 H LEU 61 3.087 4.591 -2.133 1053 HA LEU 61 HA LEU 61 3.470 7.214 -1.210 1054 HB2 LEU 61 1HB LEU 61 5.447 5.072 -1.944 1055 HB3 LEU 61 2HB LEU 61 5.905 6.586 -1.189 1056 HG LEU 61 HG LEU 61 3.992 4.608 0.034 1057 HD11 LEU 61 1HD1 LEU 61 6.204 3.642 -0.216 1058 HD12 LEU 61 2HD1 LEU 61 5.838 3.976 1.473 1059 HD13 LEU 61 3HD1 LEU 61 6.920 5.044 0.578 1060 HD21 LEU 61 1HD2 LEU 61 4.394 5.892 2.076 1061 HD22 LEU 61 2HD2 LEU 61 3.695 6.899 0.808 1062 HD23 LEU 61 3HD2 LEU 61 5.418 7.008 1.171 1063 H LEU 62 H LEU 62 3.777 5.879 -4.356 1064 HA LEU 62 HA LEU 62 5.528 7.811 -5.463 1065 HB2 LEU 62 1HB LEU 62 4.992 5.580 -6.442 1066 HB3 LEU 62 2HB LEU 62 3.396 6.184 -6.840 1067 HG LEU 62 HG LEU 62 4.435 7.880 -8.315 1068 HD11 LEU 62 1HD1 LEU 62 6.808 7.583 -8.929 1069 HD12 LEU 62 2HD1 LEU 62 6.976 6.413 -7.620 1070 HD13 LEU 62 3HD1 LEU 62 6.593 8.095 -7.255 1071 HD21 LEU 62 1HD2 LEU 62 5.041 6.322 -10.087 1072 HD22 LEU 62 2HD2 LEU 62 3.634 5.741 -9.193 1073 HD23 LEU 62 3HD2 LEU 62 5.220 5.028 -8.901 1074 H ASP 63 H ASP 63 2.114 7.686 -4.832 1075 HA ASP 63 HA ASP 63 1.723 10.253 -6.209 1076 HB2 ASP 63 1HB ASP 63 -0.237 8.123 -5.369 1077 HB3 ASP 63 2HB ASP 63 -0.722 9.694 -5.992 1078 H TYR 64 H TYR 64 1.336 8.606 -3.160 1079 HA TYR 64 HA TYR 64 0.189 11.003 -1.915 1080 HB2 TYR 64 1HB TYR 64 0.273 8.131 -0.984 1081 HB3 TYR 64 2HB TYR 64 -0.455 9.455 -0.086 1082 HD1 TYR 64 HD1 TYR 64 -0.838 7.132 -2.853 1083 HD2 TYR 64 HD2 TYR 64 -2.522 10.493 -0.877 1084 HE1 TYR 64 HE1 TYR 64 -2.966 6.733 -4.006 1085 HE2 TYR 64 HE2 TYR 64 -4.659 10.113 -2.024 1086 HH TYR 64 HH TYR 64 -5.472 9.013 -4.085 1087 H ASP 65 H ASP 65 2.922 11.134 -2.413 1088 HA ASP 65 HA ASP 65 4.379 10.273 -0.086 1089 HB2 ASP 65 1HB ASP 65 6.273 11.515 -1.097 1090 HB3 ASP 65 2HB ASP 65 5.539 10.361 -2.202 1091 H THR 66 H THR 66 2.557 11.470 1.138 1092 HA THR 66 HA THR 66 1.710 13.199 2.316 1093 HB THR 66 HB THR 66 3.532 14.641 3.470 1094 HG1 THR 66 HG1 THR 66 5.092 13.527 1.763 1095 HG21 THR 66 1HG2 THR 66 2.255 12.820 4.518 1096 HG22 THR 66 2HG2 THR 66 3.922 12.882 5.092 1097 HG23 THR 66 3HG2 THR 66 3.442 11.663 3.915 1098 H GLY 67 H GLY 67 1.685 13.720 -0.371 1099 HA2 GLY 67 1HA GLY 67 2.385 16.539 -0.648 1100 HA3 GLY 67 2HA GLY 67 1.746 15.494 -1.915 1101 H CYS 68 H CYS 68 0.938 18.155 -0.593 1102 HA CYS 68 HA CYS 68 -1.431 17.823 0.840 1103 HB2 CYS 68 1HB CYS 68 -0.715 20.127 -0.973 1104 HB3 CYS 68 2HB CYS 68 -1.839 20.162 0.381 1105 H GLU 69 H GLU 69 -3.582 17.968 0.283 1106 HA GLU 69 HA GLU 69 -4.546 16.506 -1.823 1107 HB2 GLU 69 1HB GLU 69 -5.937 18.781 -0.406 1108 HB3 GLU 69 2HB GLU 69 -6.733 17.540 -1.359 1109 HG2 GLU 69 1HG GLU 69 -6.084 15.845 0.212 1110 HG3 GLU 69 2HG GLU 69 -5.125 17.011 1.126
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