NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
25840 | 2kcl | 16084 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLU 1 1H GLU 1 1.751 2.653 -2.588 2 H2 GLU 1 2H GLU 1 2.734 2.931 -3.935 3 H3 GLU 1 3H GLU 1 3.191 3.523 -2.424 4 HA GLU 1 HA GLU 1 4.472 1.573 -3.053 5 HB2 GLU 1 2HB GLU 1 2.602 1.213 -0.701 6 HB3 GLU 1 3HB GLU 1 4.085 0.298 -0.947 7 HG2 GLU 1 2HG GLU 1 3.863 3.276 -0.524 8 HG3 GLU 1 3HG GLU 1 4.459 2.087 0.632 9 H ASP 2 H ASP 2 1.736 1.446 -4.491 10 HA ASP 2 HA ASP 2 1.442 -1.478 -4.569 11 HB2 ASP 2 2HB ASP 2 -0.265 0.655 -5.890 12 HB3 ASP 2 3HB ASP 2 -0.640 -1.062 -5.756 13 HA PRO 3 HA PRO 3 3.641 -1.855 -8.452 14 HB2 PRO 3 2HB PRO 3 1.884 -3.508 -9.847 15 HB3 PRO 3 3HB PRO 3 3.112 -4.066 -8.707 16 HG2 PRO 3 2HG PRO 3 0.188 -3.600 -8.265 17 HG3 PRO 3 3HG PRO 3 1.216 -4.918 -7.668 18 HD2 PRO 3 2HD PRO 3 0.498 -2.898 -6.068 19 HD3 PRO 3 3HD PRO 3 2.129 -3.597 -5.973 20 H GLU 4 H GLU 4 0.404 -0.700 -8.256 21 HA GLU 4 HA GLU 4 -0.064 0.084 -10.922 22 HB2 GLU 4 2HB GLU 4 -1.124 1.531 -8.492 23 HB3 GLU 4 3HB GLU 4 -1.885 1.351 -10.067 24 HG2 GLU 4 2HG GLU 4 -1.449 -0.844 -8.045 25 HG3 GLU 4 3HG GLU 4 -2.973 -0.030 -8.381 26 H ASP 5 H ASP 5 1.530 1.712 -8.214 27 HA ASP 5 HA ASP 5 1.542 4.317 -9.290 28 HB2 ASP 5 2HB ASP 5 3.577 3.190 -7.359 29 HB3 ASP 5 3HB ASP 5 3.123 4.878 -7.562 30 HA PRO 6 HA PRO 6 4.535 4.143 -12.598 31 HB2 PRO 6 2HB PRO 6 5.245 6.869 -11.611 32 HB3 PRO 6 3HB PRO 6 4.834 6.332 -13.245 33 HG2 PRO 6 2HG PRO 6 3.084 7.689 -11.741 34 HG3 PRO 6 3HG PRO 6 2.557 6.401 -12.839 35 HD2 PRO 6 2HD PRO 6 2.782 6.395 -9.870 36 HD3 PRO 6 3HD PRO 6 1.649 5.520 -10.919 37 H PHE 7 H PHE 7 5.758 5.939 -9.746 38 HA PHE 7 HA PHE 7 8.458 5.260 -10.143 39 HB2 PHE 7 2HB PHE 7 7.725 7.168 -8.760 40 HB3 PHE 7 3HB PHE 7 7.084 6.052 -7.559 41 HD1 PHE 7 HD2 PHE 7 10.194 7.245 -9.173 42 HD2 PHE 7 HD1 PHE 7 8.502 5.074 -5.922 43 HE1 PHE 7 HE2 PHE 7 12.391 7.184 -8.071 44 HE2 PHE 7 HE1 PHE 7 10.699 5.014 -4.820 45 HZ PHE 7 HZ PHE 7 12.647 6.068 -5.892 46 H THR 8 H THR 8 5.894 3.580 -8.391 47 HA THR 8 HA THR 8 7.587 1.820 -6.924 48 HB THR 8 HB THR 8 4.729 1.278 -7.779 49 HG1 THR 8 HG1 THR 8 4.105 2.325 -5.939 50 HG21 THR 8 3HG2 THR 8 6.385 0.162 -5.505 51 HG22 THR 8 1HG2 THR 8 5.874 -0.713 -6.949 52 HG23 THR 8 2HG2 THR 8 4.674 -0.166 -5.779 53 H ARG 9 H ARG 9 5.617 1.203 -9.859 54 HA ARG 9 HA ARG 9 6.687 -1.347 -10.406 55 HB2 ARG 9 2HB ARG 9 5.720 -1.051 -12.660 56 HB3 ARG 9 3HB ARG 9 4.595 -0.581 -11.394 57 HG2 ARG 9 2HG ARG 9 5.638 1.813 -11.862 58 HG3 ARG 9 3HG ARG 9 5.969 1.089 -13.434 59 HD2 ARG 9 2HD ARG 9 3.267 1.279 -12.093 60 HD3 ARG 9 3HD ARG 9 3.831 2.280 -13.428 61 HE ARG 9 HE ARG 9 4.023 -0.059 -14.577 62 HH11 ARG 9 1HH1 ARG 9 1.539 1.025 -12.439 63 HH12 ARG 9 2HH1 ARG 9 0.326 0.028 -13.166 64 HH21 ARG 9 1HH2 ARG 9 2.447 -1.306 -15.513 65 HH22 ARG 9 2HH2 ARG 9 0.823 -1.236 -14.921 66 H TYR 10 H TYR 10 7.755 1.876 -11.297 67 HA TYR 10 HA TYR 10 9.913 1.243 -12.978 68 HB2 TYR 10 2HB TYR 10 9.207 3.507 -12.813 69 HB3 TYR 10 3HB TYR 10 9.361 3.511 -11.063 70 HD1 TYR 10 HD2 TYR 10 11.266 3.583 -14.242 71 HD2 TYR 10 HD1 TYR 10 11.426 4.069 -10.011 72 HE1 TYR 10 HE2 TYR 10 13.492 4.609 -14.442 73 HE2 TYR 10 HE1 TYR 10 13.645 5.099 -10.207 74 HH TYR 10 HH TYR 10 14.889 6.230 -13.080 75 H ALA 11 H ALA 11 9.768 1.585 -9.431 76 HA ALA 11 HA ALA 11 12.465 1.026 -8.879 77 HB1 ALA 11 3HB ALA 11 10.933 1.992 -7.224 78 HB2 ALA 11 1HB ALA 11 11.741 0.553 -6.597 79 HB3 ALA 11 2HB ALA 11 10.062 0.461 -7.135 80 H LEU 12 H LEU 12 9.646 -1.168 -9.023 81 HA LEU 12 HA LEU 12 10.987 -3.564 -8.487 82 HB2 LEU 12 2HB LEU 12 8.490 -2.911 -10.013 83 HB3 LEU 12 3HB LEU 12 9.126 -4.542 -10.076 84 HG LEU 12 HG LEU 12 7.391 -4.407 -8.400 85 HD11 LEU 12 1HD1 LEU 12 9.260 -5.913 -7.963 86 HD12 LEU 12 2HD1 LEU 12 8.591 -5.270 -6.465 87 HD13 LEU 12 3HD1 LEU 12 10.106 -4.627 -7.101 88 HD21 LEU 12 3HD2 LEU 12 7.590 -2.996 -6.420 89 HD22 LEU 12 1HD2 LEU 12 7.520 -2.029 -7.891 90 HD23 LEU 12 2HD2 LEU 12 9.062 -2.273 -7.070 91 H ALA 13 H ALA 13 10.637 -1.811 -11.558 92 HA ALA 13 HA ALA 13 11.880 -3.659 -13.253 93 HB1 ALA 13 3HB ALA 13 12.412 -1.758 -14.693 94 HB2 ALA 13 1HB ALA 13 12.066 -0.647 -13.368 95 HB3 ALA 13 2HB ALA 13 10.771 -1.624 -14.058 96 H GLN 14 H GLN 14 13.325 -1.085 -11.257 97 HA GLN 14 HA GLN 14 16.029 -1.620 -11.850 98 HB2 GLN 14 2HB GLN 14 14.848 -0.537 -9.278 99 HB3 GLN 14 3HB GLN 14 16.538 -0.429 -9.749 100 HG2 GLN 14 2HG GLN 14 15.911 0.981 -11.658 101 HG3 GLN 14 3HG GLN 14 14.217 0.873 -11.175 102 HE21 GLN 14 1HE2 GLN 14 15.940 3.220 -11.413 103 HE22 GLN 14 2HE2 GLN 14 15.926 3.976 -9.862 104 H GLU 15 H GLU 15 13.902 -2.904 -9.295 105 HA GLU 15 HA GLU 15 15.746 -4.490 -7.937 106 HB2 GLU 15 2HB GLU 15 12.832 -5.154 -8.442 107 HB3 GLU 15 3HB GLU 15 13.839 -5.828 -7.169 108 HG2 GLU 15 2HG GLU 15 12.891 -2.980 -7.429 109 HG3 GLU 15 3HG GLU 15 12.387 -4.170 -6.236 110 H HIS 16 H HIS 16 13.779 -5.302 -10.801 111 HA HIS 16 HA HIS 16 14.643 -7.941 -11.137 112 HB2 HIS 16 2HB HIS 16 13.798 -5.879 -13.177 113 HB3 HIS 16 3HB HIS 16 14.165 -7.545 -13.606 114 HD1 HIS 16 HD1 HIS 16 12.680 -9.290 -11.869 115 HD2 HIS 16 HD2 HIS 16 11.132 -5.567 -12.877 116 HE1 HIS 16 HE1 HIS 16 10.205 -9.469 -11.507 117 HE2 HIS 16 HE2 HIS 16 9.277 -7.263 -12.270 118 H LEU 17 H LEU 17 16.085 -4.926 -12.398 119 HA LEU 17 HA LEU 17 18.247 -6.083 -13.770 120 HB2 LEU 17 2HB LEU 17 18.045 -3.403 -12.375 121 HB3 LEU 17 3HB LEU 17 19.368 -3.862 -13.434 122 HG LEU 17 HG LEU 17 16.467 -3.639 -14.272 123 HD11 LEU 17 1HD1 LEU 17 17.182 -1.649 -15.498 124 HD12 LEU 17 2HD1 LEU 17 18.801 -1.803 -14.818 125 HD13 LEU 17 3HD1 LEU 17 17.431 -1.457 -13.763 126 HD21 LEU 17 3HD2 LEU 17 17.678 -5.310 -15.573 127 HD22 LEU 17 1HD2 LEU 17 18.964 -4.149 -15.899 128 HD23 LEU 17 2HD2 LEU 17 17.348 -3.882 -16.553 129 H LYS 18 H LYS 18 17.908 -5.172 -10.356 130 HA LYS 18 HA LYS 18 20.522 -5.713 -9.493 131 HB2 LYS 18 2HB LYS 18 17.910 -6.075 -8.006 132 HB3 LYS 18 3HB LYS 18 19.501 -6.099 -7.254 133 HG2 LYS 18 2HG LYS 18 19.875 -3.789 -7.884 134 HG3 LYS 18 3HG LYS 18 18.334 -3.750 -8.745 135 HD2 LYS 18 2HD LYS 18 17.139 -4.137 -6.640 136 HD3 LYS 18 3HD LYS 18 18.675 -4.213 -5.772 137 HE2 LYS 18 2HE LYS 18 19.138 -1.891 -6.377 138 HE3 LYS 18 3HE LYS 18 17.627 -1.815 -7.284 139 HZ1 LYS 18 3HZ LYS 18 17.434 -0.833 -5.071 140 HZ2 LYS 18 1HZ LYS 18 17.842 -2.314 -4.364 141 HZ3 LYS 18 2HZ LYS 18 16.408 -2.165 -5.248 142 H HIS 19 H HIS 19 17.796 -7.869 -10.079 143 HA HIS 19 HA HIS 19 19.324 -10.221 -9.236 144 HB2 HIS 19 2HB HIS 19 16.517 -10.012 -10.367 145 HB3 HIS 19 3HB HIS 19 17.256 -11.478 -9.729 146 HD1 HIS 19 HD1 HIS 19 17.897 -11.335 -7.085 147 HD2 HIS 19 HD2 HIS 19 15.187 -8.531 -8.509 148 HE1 HIS 19 HE1 HIS 19 16.765 -10.403 -5.053 149 HE2 HIS 19 HE2 HIS 19 15.292 -8.568 -5.930 150 H ASP 20 H ASP 20 19.451 -8.375 -11.846 151 HA ASP 20 HA ASP 20 20.394 -8.584 -13.883 152 HB2 ASP 20 2HB ASP 20 21.840 -10.317 -12.888 153 HB3 ASP 20 3HB ASP 20 20.634 -11.542 -13.271 154 H ASN 21 H ASN 21 17.412 -9.552 -13.138 155 HA ASN 21 HA ASN 21 16.613 -10.857 -15.563 156 HB2 ASN 21 2HB ASN 21 14.942 -9.370 -13.521 157 HB3 ASN 21 3HB ASN 21 14.296 -10.346 -14.836 158 HD21 ASN 21 1HD2 ASN 21 14.570 -12.597 -14.765 159 HD22 ASN 21 2HD2 ASN 21 14.948 -13.415 -13.291 160 H ALA 22 H ALA 22 17.818 -9.362 -16.967 161 HA ALA 22 HA ALA 22 17.232 -6.645 -17.286 162 HB1 ALA 22 3HB ALA 22 18.361 -6.824 -19.445 163 HB2 ALA 22 1HB ALA 22 18.263 -8.583 -19.355 164 HB3 ALA 22 2HB ALA 22 19.241 -7.693 -18.188 165 H SER 23 H SER 23 15.943 -9.421 -19.154 166 HA SER 23 HA SER 23 14.354 -7.886 -20.903 167 HB2 SER 23 2HB SER 23 13.960 -10.760 -20.013 168 HB3 SER 23 3HB SER 23 13.152 -10.005 -21.387 169 HG SER 23 HG SER 23 14.851 -10.461 -22.515 170 H ARG 24 H ARG 24 13.540 -9.401 -17.788 171 HA ARG 24 HA ARG 24 10.791 -8.710 -17.833 172 HB2 ARG 24 2HB ARG 24 12.621 -9.263 -15.486 173 HB3 ARG 24 3HB ARG 24 10.869 -9.140 -15.378 174 HG2 ARG 24 2HG ARG 24 12.419 -11.192 -16.961 175 HG3 ARG 24 3HG ARG 24 11.558 -11.468 -15.445 176 HD2 ARG 24 2HD ARG 24 9.443 -11.065 -16.483 177 HD3 ARG 24 3HD ARG 24 10.210 -10.487 -17.962 178 HE ARG 24 HE ARG 24 10.523 -13.279 -17.078 179 HH11 ARG 24 1HH1 ARG 24 9.534 -10.977 -19.437 180 HH12 ARG 24 2HH1 ARG 24 9.294 -12.165 -20.668 181 HH21 ARG 24 1HH2 ARG 24 10.213 -14.802 -18.660 182 HH22 ARG 24 2HH2 ARG 24 9.679 -14.313 -20.231 183 H ALA 25 H ALA 25 13.630 -7.011 -16.537 184 HA ALA 25 HA ALA 25 12.223 -4.777 -15.484 185 HB1 ALA 25 3HB ALA 25 15.054 -4.888 -16.532 186 HB2 ALA 25 1HB ALA 25 14.553 -5.308 -14.894 187 HB3 ALA 25 2HB ALA 25 14.378 -3.653 -15.470 188 H LEU 26 H LEU 26 13.713 -5.414 -18.632 189 HA LEU 26 HA LEU 26 13.346 -2.966 -19.888 190 HB2 LEU 26 2HB LEU 26 14.652 -4.847 -20.804 191 HB3 LEU 26 3HB LEU 26 13.169 -5.735 -21.093 192 HG LEU 26 HG LEU 26 12.473 -4.015 -22.736 193 HD11 LEU 26 1HD1 LEU 26 13.655 -2.098 -21.829 194 HD12 LEU 26 2HD1 LEU 26 14.108 -2.361 -23.512 195 HD13 LEU 26 3HD1 LEU 26 15.205 -2.845 -22.218 196 HD21 LEU 26 3HD2 LEU 26 13.660 -6.024 -23.480 197 HD22 LEU 26 1HD2 LEU 26 15.204 -5.197 -23.262 198 HD23 LEU 26 2HD2 LEU 26 14.064 -4.632 -24.485 199 H ALA 27 H ALA 27 11.150 -5.772 -19.838 200 HA ALA 27 HA ALA 27 9.043 -4.742 -21.308 201 HB1 ALA 27 3HB ALA 27 9.188 -7.071 -20.556 202 HB2 ALA 27 1HB ALA 27 7.627 -6.356 -20.154 203 HB3 ALA 27 2HB ALA 27 8.855 -6.558 -18.902 204 H LEU 28 H LEU 28 9.660 -4.370 -17.809 205 HA LEU 28 HA LEU 28 7.337 -2.860 -17.238 206 HB2 LEU 28 2HB LEU 28 10.007 -2.967 -15.839 207 HB3 LEU 28 3HB LEU 28 8.620 -2.094 -15.211 208 HG LEU 28 HG LEU 28 8.823 -5.080 -15.641 209 HD11 LEU 28 1HD1 LEU 28 8.569 -3.445 -13.118 210 HD12 LEU 28 2HD1 LEU 28 10.032 -4.253 -13.685 211 HD13 LEU 28 3HD1 LEU 28 8.623 -5.205 -13.219 212 HD21 LEU 28 3HD2 LEU 28 6.589 -5.193 -14.629 213 HD22 LEU 28 1HD2 LEU 28 6.570 -4.334 -16.169 214 HD23 LEU 28 2HD2 LEU 28 6.493 -3.431 -14.653 215 H PHE 29 H PHE 29 10.641 -1.796 -18.113 216 HA PHE 29 HA PHE 29 10.133 0.975 -17.911 217 HB2 PHE 29 2HB PHE 29 12.142 -0.575 -19.553 218 HB3 PHE 29 3HB PHE 29 12.074 1.183 -19.566 219 HD1 PHE 29 HD2 PHE 29 12.032 2.257 -17.117 220 HD2 PHE 29 HD1 PHE 29 13.656 -1.555 -18.106 221 HE1 PHE 29 HE2 PHE 29 13.457 2.346 -15.115 222 HE2 PHE 29 HE1 PHE 29 15.082 -1.469 -16.105 223 HZ PHE 29 HZ PHE 29 14.984 0.483 -14.605 224 H GLU 30 H GLU 30 9.909 -1.220 -20.718 225 HA GLU 30 HA GLU 30 8.991 0.712 -22.565 226 HB2 GLU 30 2HB GLU 30 8.474 -2.275 -22.523 227 HB3 GLU 30 3HB GLU 30 8.213 -1.218 -23.904 228 HG2 GLU 30 2HG GLU 30 10.642 -0.682 -23.884 229 HG3 GLU 30 3HG GLU 30 10.856 -1.872 -22.603 230 H GLU 31 H GLU 31 7.311 -1.308 -20.217 231 HA GLU 31 HA GLU 31 4.654 -0.692 -20.914 232 HB2 GLU 31 2HB GLU 31 5.230 -2.482 -19.348 233 HB3 GLU 31 3HB GLU 31 5.875 -1.308 -18.210 234 HG2 GLU 31 2HG GLU 31 3.627 -0.356 -17.936 235 HG3 GLU 31 3HG GLU 31 2.990 -1.560 -19.057 236 H LEU 32 H LEU 32 6.867 0.884 -18.608 237 HA LEU 32 HA LEU 32 5.230 2.935 -17.706 238 HB2 LEU 32 2HB LEU 32 8.207 2.834 -18.169 239 HB3 LEU 32 3HB LEU 32 7.423 4.213 -17.420 240 HG LEU 32 HG LEU 32 7.252 1.404 -16.315 241 HD11 LEU 32 1HD1 LEU 32 9.110 3.641 -15.498 242 HD12 LEU 32 2HD1 LEU 32 9.579 2.141 -16.301 243 HD13 LEU 32 3HD1 LEU 32 8.915 2.095 -14.668 244 HD21 LEU 32 3HD2 LEU 32 6.563 4.112 -15.166 245 HD22 LEU 32 1HD2 LEU 32 6.542 2.593 -14.269 246 HD23 LEU 32 2HD2 LEU 32 5.431 2.835 -15.616 247 H VAL 33 H VAL 33 7.048 2.729 -20.727 248 HA VAL 33 HA VAL 33 6.747 5.418 -21.542 249 HB VAL 33 HB VAL 33 7.023 2.952 -23.280 250 HG11 VAL 33 1HG1 VAL 33 7.890 4.506 -24.990 251 HG12 VAL 33 2HG1 VAL 33 7.481 5.865 -23.945 252 HG13 VAL 33 3HG1 VAL 33 6.205 4.831 -24.585 253 HG21 VAL 33 3HG2 VAL 33 9.421 3.549 -23.342 254 HG22 VAL 33 1HG2 VAL 33 8.869 3.142 -21.717 255 HG23 VAL 33 2HG2 VAL 33 9.116 4.829 -22.167 256 H GLU 34 H GLU 34 4.663 2.573 -22.050 257 HA GLU 34 HA GLU 34 2.787 4.084 -23.657 258 HB2 GLU 34 2HB GLU 34 1.433 2.001 -23.658 259 HB3 GLU 34 3HB GLU 34 3.077 1.773 -24.233 260 HG2 GLU 34 2HG GLU 34 3.702 0.835 -22.058 261 HG3 GLU 34 3HG GLU 34 2.048 1.057 -21.492 262 H THR 35 H THR 35 3.091 3.258 -20.273 263 HA THR 35 HA THR 35 0.355 4.048 -19.654 264 HB THR 35 HB THR 35 0.924 3.682 -17.312 265 HG1 THR 35 HG1 THR 35 2.942 4.109 -16.819 266 HG21 THR 35 3HG2 THR 35 1.992 1.502 -19.116 267 HG22 THR 35 1HG2 THR 35 0.320 1.710 -18.587 268 HG23 THR 35 2HG2 THR 35 1.570 1.295 -17.414 269 H ASP 36 H ASP 36 3.565 5.261 -18.627 270 HA ASP 36 HA ASP 36 2.398 7.970 -18.393 271 HB2 ASP 36 2HB ASP 36 4.578 6.735 -16.687 272 HB3 ASP 36 3HB ASP 36 3.977 8.385 -16.542 273 HA PRO 37 HA PRO 37 5.796 8.199 -21.550 274 HB2 PRO 37 2HB PRO 37 4.610 10.112 -23.084 275 HB3 PRO 37 3HB PRO 37 4.246 8.390 -23.238 276 HG2 PRO 37 2HG PRO 37 2.734 10.520 -21.762 277 HG3 PRO 37 3HG PRO 37 2.110 9.244 -22.826 278 HD2 PRO 37 2HD PRO 37 2.033 9.035 -20.131 279 HD3 PRO 37 3HD PRO 37 2.272 7.620 -21.179 280 H ASP 38 H ASP 38 4.403 10.470 -19.369 281 HA ASP 38 HA ASP 38 6.391 12.531 -19.945 282 HB2 ASP 38 2HB ASP 38 5.190 13.890 -18.330 283 HB3 ASP 38 3HB ASP 38 4.046 13.171 -19.458 284 H TYR 39 H TYR 39 6.383 9.711 -18.229 285 HA TYR 39 HA TYR 39 7.793 10.632 -15.876 286 HB2 TYR 39 2HB TYR 39 6.262 8.659 -15.833 287 HB3 TYR 39 3HB TYR 39 7.392 7.794 -16.868 288 HD1 TYR 39 HD1 TYR 39 8.285 10.013 -14.030 289 HD2 TYR 39 HD2 TYR 39 7.968 5.994 -15.410 290 HE1 TYR 39 HE1 TYR 39 9.455 9.236 -12.018 291 HE2 TYR 39 HE2 TYR 39 9.150 5.213 -13.402 292 HH TYR 39 HH TYR 39 9.683 7.204 -10.692 293 H VAL 40 H VAL 40 9.647 11.631 -16.525 294 HA VAL 40 HA VAL 40 11.285 10.885 -18.675 295 HB VAL 40 HB VAL 40 12.076 12.514 -16.246 296 HG11 VAL 40 1HG1 VAL 40 13.711 13.559 -17.781 297 HG12 VAL 40 2HG1 VAL 40 13.267 12.388 -19.021 298 HG13 VAL 40 3HG1 VAL 40 14.020 11.842 -17.523 299 HG21 VAL 40 3HG2 VAL 40 10.056 13.399 -17.301 300 HG22 VAL 40 1HG2 VAL 40 10.864 13.411 -18.869 301 HG23 VAL 40 2HG2 VAL 40 11.428 14.474 -17.576 302 H GLY 41 H GLY 41 11.539 10.060 -15.231 303 HA2 GLY 41 2HA GLY 41 14.059 8.944 -15.091 304 HA3 GLY 41 3HA GLY 41 12.680 8.349 -14.182 305 H THR 42 H THR 42 11.170 7.511 -16.512 306 HA THR 42 HA THR 42 12.101 4.888 -16.907 307 HB THR 42 HB THR 42 10.209 6.481 -18.667 308 HG1 THR 42 HG1 THR 42 8.622 5.759 -17.350 309 HG21 THR 42 3HG2 THR 42 10.627 3.492 -18.441 310 HG22 THR 42 1HG2 THR 42 11.050 4.499 -19.827 311 HG23 THR 42 2HG2 THR 42 9.358 4.280 -19.378 312 H TYR 43 H TYR 43 12.113 7.645 -19.185 313 HA TYR 43 HA TYR 43 13.293 6.340 -21.342 314 HB2 TYR 43 2HB TYR 43 13.394 9.264 -20.569 315 HB3 TYR 43 3HB TYR 43 13.920 8.640 -22.129 316 HD1 TYR 43 HD2 TYR 43 10.994 9.222 -19.957 317 HD2 TYR 43 HD1 TYR 43 12.326 7.980 -23.807 318 HE1 TYR 43 HE2 TYR 43 8.693 9.392 -20.805 319 HE2 TYR 43 HE1 TYR 43 10.028 8.150 -24.660 320 HH TYR 43 HH TYR 43 7.525 9.673 -22.904 321 H TYR 44 H TYR 44 14.876 8.126 -18.703 322 HA TYR 44 HA TYR 44 17.486 8.082 -19.711 323 HB2 TYR 44 2HB TYR 44 16.706 9.409 -17.723 324 HB3 TYR 44 3HB TYR 44 16.722 7.923 -16.781 325 HD1 TYR 44 HD2 TYR 44 18.948 6.718 -16.457 326 HD2 TYR 44 HD1 TYR 44 18.690 10.662 -18.048 327 HE1 TYR 44 HE2 TYR 44 21.324 7.078 -15.945 328 HE2 TYR 44 HE1 TYR 44 21.066 11.025 -17.539 329 HH TYR 44 HH TYR 44 22.754 10.024 -15.821 330 H HIS 45 H HIS 45 16.071 5.831 -17.297 331 HA HIS 45 HA HIS 45 18.386 4.136 -17.369 332 HB2 HIS 45 2HB HIS 45 15.680 3.820 -16.066 333 HB3 HIS 45 3HB HIS 45 16.949 2.605 -15.939 334 HD1 HIS 45 HD1 HIS 45 18.802 3.022 -14.273 335 HD2 HIS 45 HD2 HIS 45 16.338 6.329 -14.789 336 HE1 HIS 45 HE1 HIS 45 19.455 4.636 -12.467 337 HE2 HIS 45 HE2 HIS 45 17.927 6.609 -12.765 338 H LEU 46 H LEU 46 15.281 4.082 -19.015 339 HA LEU 46 HA LEU 46 15.382 1.454 -20.034 340 HB2 LEU 46 2HB LEU 46 13.357 2.776 -20.185 341 HB3 LEU 46 3HB LEU 46 14.162 3.972 -21.182 342 HG LEU 46 HG LEU 46 14.350 2.347 -23.014 343 HD11 LEU 46 1HD1 LEU 46 12.817 0.470 -21.221 344 HD12 LEU 46 2HD1 LEU 46 14.508 0.301 -21.688 345 HD13 LEU 46 3HD1 LEU 46 13.241 0.189 -22.909 346 HD21 LEU 46 3HD2 LEU 46 11.545 2.593 -21.920 347 HD22 LEU 46 1HD2 LEU 46 11.974 2.204 -23.588 348 HD23 LEU 46 2HD2 LEU 46 12.386 3.781 -22.917 349 H GLY 47 H GLY 47 16.626 4.527 -21.341 350 HA2 GLY 47 2HA GLY 47 17.822 3.502 -23.671 351 HA3 GLY 47 3HA GLY 47 18.331 4.953 -22.820 352 H LYS 48 H LYS 48 19.197 3.949 -20.412 353 HA LYS 48 HA LYS 48 21.786 3.039 -20.920 354 HB2 LYS 48 2HB LYS 48 20.233 2.572 -18.360 355 HB3 LYS 48 3HB LYS 48 21.979 2.602 -18.535 356 HG2 LYS 48 2HG LYS 48 20.119 4.947 -18.892 357 HG3 LYS 48 3HG LYS 48 21.140 4.635 -17.495 358 HD2 LYS 48 2HD LYS 48 22.140 5.137 -20.302 359 HD3 LYS 48 3HD LYS 48 22.066 6.346 -19.024 360 HE2 LYS 48 2HE LYS 48 24.294 5.620 -19.023 361 HE3 LYS 48 3HE LYS 48 23.554 4.756 -17.676 362 HZ1 LYS 48 3HZ LYS 48 23.836 3.572 -20.378 363 HZ2 LYS 48 1HZ LYS 48 23.476 2.777 -18.926 364 HZ3 LYS 48 2HZ LYS 48 25.024 3.409 -19.183 365 H LEU 49 H LEU 49 18.866 1.215 -20.082 366 HA LEU 49 HA LEU 49 20.099 -1.331 -19.908 367 HB2 LEU 49 2HB LEU 49 17.891 -0.824 -18.950 368 HB3 LEU 49 3HB LEU 49 17.233 -0.622 -20.562 369 HG LEU 49 HG LEU 49 17.533 -2.981 -21.045 370 HD11 LEU 49 1HD1 LEU 49 19.605 -3.387 -19.825 371 HD12 LEU 49 2HD1 LEU 49 18.366 -4.550 -19.354 372 HD13 LEU 49 3HD1 LEU 49 18.755 -3.198 -18.291 373 HD21 LEU 49 3HD2 LEU 49 16.254 -2.568 -18.339 374 HD22 LEU 49 1HD2 LEU 49 15.979 -3.937 -19.417 375 HD23 LEU 49 2HD2 LEU 49 15.481 -2.318 -19.906 376 H TYR 50 H TYR 50 18.478 0.354 -22.611 377 HA TYR 50 HA TYR 50 18.782 -1.647 -24.546 378 HB2 TYR 50 2HB TYR 50 18.646 1.352 -24.741 379 HB3 TYR 50 3HB TYR 50 18.918 0.374 -26.178 380 HD1 TYR 50 HD2 TYR 50 17.157 -1.939 -25.662 381 HD2 TYR 50 HD1 TYR 50 16.479 2.215 -25.016 382 HE1 TYR 50 HE2 TYR 50 14.742 -2.302 -25.916 383 HE2 TYR 50 HE1 TYR 50 14.058 1.861 -25.273 384 HH TYR 50 HH TYR 50 12.627 -1.222 -25.250 385 H GLU 51 H GLU 51 21.075 0.896 -23.539 386 HA GLU 51 HA GLU 51 23.152 0.335 -25.324 387 HB2 GLU 51 2HB GLU 51 23.379 1.184 -22.422 388 HB3 GLU 51 3HB GLU 51 24.682 1.252 -23.600 389 HG2 GLU 51 2HG GLU 51 23.230 2.818 -24.947 390 HG3 GLU 51 3HG GLU 51 22.150 2.875 -23.553 391 H ARG 52 H ARG 52 22.516 -1.071 -22.113 392 HA ARG 52 HA ARG 52 24.662 -2.868 -22.019 393 HB2 ARG 52 2HB ARG 52 23.204 -2.305 -20.096 394 HB3 ARG 52 3HB ARG 52 21.896 -3.224 -20.830 395 HG2 ARG 52 2HG ARG 52 23.233 -5.274 -20.644 396 HG3 ARG 52 3HG ARG 52 24.548 -4.348 -19.919 397 HD2 ARG 52 2HD ARG 52 22.989 -3.692 -18.082 398 HD3 ARG 52 3HD ARG 52 21.783 -4.776 -18.777 399 HE ARG 52 HE ARG 52 24.407 -5.807 -17.931 400 HH11 ARG 52 1HH1 ARG 52 20.980 -5.782 -17.634 401 HH12 ARG 52 2HH1 ARG 52 20.943 -7.198 -16.649 402 HH21 ARG 52 1HH2 ARG 52 24.352 -7.589 -16.601 403 HH22 ARG 52 2HH2 ARG 52 22.830 -8.201 -16.055 404 H LEU 53 H LEU 53 21.504 -3.157 -23.534 405 HA LEU 53 HA LEU 53 21.932 -5.937 -24.286 406 HB2 LEU 53 2HB LEU 53 19.668 -4.058 -24.971 407 HB3 LEU 53 3HB LEU 53 19.695 -5.787 -25.268 408 HG LEU 53 HG LEU 53 19.698 -4.465 -22.544 409 HD11 LEU 53 1HD1 LEU 53 17.449 -5.414 -22.332 410 HD12 LEU 53 2HD1 LEU 53 17.542 -6.004 -23.993 411 HD13 LEU 53 3HD1 LEU 53 17.549 -4.270 -23.671 412 HD21 LEU 53 3HD2 LEU 53 19.422 -6.744 -21.670 413 HD22 LEU 53 1HD2 LEU 53 20.961 -6.549 -22.510 414 HD23 LEU 53 2HD2 LEU 53 19.627 -7.390 -23.298 415 H ASP 54 H ASP 54 23.418 -3.417 -25.432 416 HA ASP 54 HA ASP 54 24.498 -2.923 -27.366 417 HB2 ASP 54 2HB ASP 54 24.860 -5.365 -27.475 418 HB3 ASP 54 3HB ASP 54 23.351 -5.544 -28.366 419 H ARG 55 H ARG 55 21.335 -2.669 -27.011 420 HA ARG 55 HA ARG 55 20.499 -2.158 -29.743 421 HB2 ARG 55 2HB ARG 55 19.106 -1.595 -27.111 422 HB3 ARG 55 3HB ARG 55 18.370 -1.453 -28.700 423 HG2 ARG 55 2HG ARG 55 19.428 -4.009 -27.498 424 HG3 ARG 55 3HG ARG 55 17.734 -3.518 -27.527 425 HD2 ARG 55 2HD ARG 55 19.485 -4.067 -29.929 426 HD3 ARG 55 3HD ARG 55 18.195 -5.102 -29.313 427 HE ARG 55 HE ARG 55 17.497 -2.386 -30.139 428 HH11 ARG 55 1HH1 ARG 55 17.415 -5.766 -30.829 429 HH12 ARG 55 2HH1 ARG 55 16.193 -5.586 -32.038 430 HH21 ARG 55 1HH2 ARG 55 15.911 -2.187 -31.664 431 HH22 ARG 55 2HH2 ARG 55 15.353 -3.597 -32.507 432 H THR 56 H THR 56 22.595 -0.627 -29.606 433 HA THR 56 HA THR 56 22.627 1.785 -28.259 434 HB THR 56 HB THR 56 23.736 1.266 -31.033 435 HG1 THR 56 HG1 THR 56 25.093 0.030 -29.983 436 HG21 THR 56 3HG2 THR 56 24.496 3.357 -28.979 437 HG22 THR 56 1HG2 THR 56 23.671 3.660 -30.509 438 HG23 THR 56 2HG2 THR 56 25.331 3.061 -30.505 439 H ASP 57 H ASP 57 21.370 1.264 -31.579 440 HA ASP 57 HA ASP 57 20.594 3.922 -32.030 441 HB2 ASP 57 2HB ASP 57 19.543 1.349 -33.223 442 HB3 ASP 57 3HB ASP 57 19.162 2.956 -33.840 443 H ASP 58 H ASP 58 18.716 1.195 -30.709 444 HA ASP 58 HA ASP 58 16.269 2.544 -30.377 445 HB2 ASP 58 2HB ASP 58 17.439 0.332 -28.665 446 HB3 ASP 58 3HB ASP 58 15.741 0.793 -28.734 447 H ALA 59 H ALA 59 19.079 2.243 -28.225 448 HA ALA 59 HA ALA 59 18.097 3.614 -25.994 449 HB1 ALA 59 3HB ALA 59 20.938 3.559 -27.033 450 HB2 ALA 59 1HB ALA 59 20.197 2.354 -25.979 451 HB3 ALA 59 2HB ALA 59 20.441 4.002 -25.398 452 H ILE 60 H ILE 60 20.027 4.913 -28.701 453 HA ILE 60 HA ILE 60 20.054 7.596 -27.991 454 HB ILE 60 HB ILE 60 19.930 6.440 -30.790 455 HG12 ILE 60 2HG1 ILE 60 22.344 7.185 -29.108 456 HG13 ILE 60 3HG1 ILE 60 21.768 5.539 -29.349 457 HG21 ILE 60 1HG2 ILE 60 19.456 8.842 -30.780 458 HG22 ILE 60 2HG2 ILE 60 21.035 8.518 -31.495 459 HG23 ILE 60 3HG2 ILE 60 20.924 9.139 -29.847 460 HD11 ILE 60 3HD1 ILE 60 23.648 6.003 -30.788 461 HD12 ILE 60 1HD1 ILE 60 22.810 7.391 -31.482 462 HD13 ILE 60 2HD1 ILE 60 22.194 5.761 -31.755 463 H ASP 61 H ASP 61 17.623 5.853 -29.934 464 HA ASP 61 HA ASP 61 15.920 8.028 -30.465 465 HB2 ASP 61 2HB ASP 61 15.719 5.905 -31.657 466 HB3 ASP 61 3HB ASP 61 15.255 5.083 -30.169 467 H THR 62 H THR 62 15.953 5.722 -27.765 468 HA THR 62 HA THR 62 13.678 6.668 -26.400 469 HB THR 62 HB THR 62 16.162 5.370 -25.234 470 HG1 THR 62 HG1 THR 62 15.097 4.045 -26.757 471 HG21 THR 62 3HG2 THR 62 14.850 6.483 -23.494 472 HG22 THR 62 1HG2 THR 62 14.702 4.730 -23.359 473 HG23 THR 62 2HG2 THR 62 13.389 5.674 -24.062 474 H TYR 63 H TYR 63 17.099 7.626 -26.162 475 HA TYR 63 HA TYR 63 16.760 9.549 -24.109 476 HB2 TYR 63 2HB TYR 63 18.864 9.364 -26.279 477 HB3 TYR 63 3HB TYR 63 18.931 10.499 -24.936 478 HD1 TYR 63 HD2 TYR 63 18.322 9.078 -22.582 479 HD2 TYR 63 HD1 TYR 63 20.382 7.644 -26.021 480 HE1 TYR 63 HE2 TYR 63 19.443 7.384 -21.201 481 HE2 TYR 63 HE1 TYR 63 21.506 5.946 -24.648 482 HH TYR 63 HH TYR 63 22.070 5.488 -22.383 483 H ALA 64 H ALA 64 16.571 9.796 -27.651 484 HA ALA 64 HA ALA 64 16.308 12.575 -27.875 485 HB1 ALA 64 3HB ALA 64 15.014 10.453 -29.595 486 HB2 ALA 64 1HB ALA 64 16.639 11.105 -29.805 487 HB3 ALA 64 2HB ALA 64 15.234 12.147 -30.032 488 H GLN 65 H GLN 65 13.703 10.130 -27.679 489 HA GLN 65 HA GLN 65 11.533 11.841 -27.301 490 HB2 GLN 65 2HB GLN 65 12.134 9.015 -26.518 491 HB3 GLN 65 3HB GLN 65 10.718 9.781 -25.816 492 HG2 GLN 65 2HG GLN 65 11.233 9.591 -28.779 493 HG3 GLN 65 3HG GLN 65 10.278 8.428 -27.863 494 HE21 GLN 65 1HE2 GLN 65 9.122 10.485 -26.128 495 HE22 GLN 65 2HE2 GLN 65 7.964 11.323 -27.090 496 H GLY 66 H GLY 66 13.787 10.482 -24.924 497 HA2 GLY 66 2HA GLY 66 12.674 11.490 -22.574 498 HA3 GLY 66 3HA GLY 66 14.385 11.181 -22.824 499 H ILE 67 H ILE 67 15.031 13.045 -24.742 500 HA ILE 67 HA ILE 67 15.496 15.384 -23.310 501 HB ILE 67 HB ILE 67 15.457 14.880 -26.296 502 HG12 ILE 67 2HG1 ILE 67 17.759 15.167 -24.341 503 HG13 ILE 67 3HG1 ILE 67 17.131 13.634 -24.941 504 HG21 ILE 67 1HG2 ILE 67 15.106 17.267 -25.929 505 HG22 ILE 67 2HG2 ILE 67 16.720 16.965 -26.572 506 HG23 ILE 67 3HG2 ILE 67 16.508 17.322 -24.860 507 HD11 ILE 67 3HD1 ILE 67 18.421 15.793 -26.596 508 HD12 ILE 67 1HD1 ILE 67 17.771 14.274 -27.216 509 HD13 ILE 67 2HD1 ILE 67 19.149 14.261 -26.115 510 H GLU 68 H GLU 68 13.003 14.725 -25.760 511 HA GLU 68 HA GLU 68 11.869 17.310 -25.757 512 HB2 GLU 68 2HB GLU 68 10.539 14.691 -26.493 513 HB3 GLU 68 3HB GLU 68 10.001 16.300 -26.964 514 HG2 GLU 68 2HG GLU 68 12.253 16.569 -28.105 515 HG3 GLU 68 3HG GLU 68 12.483 14.844 -27.841 516 H VAL 69 H VAL 69 10.788 14.319 -24.085 517 HA VAL 69 HA VAL 69 8.632 15.623 -22.744 518 HB VAL 69 HB VAL 69 8.414 13.619 -21.383 519 HG11 VAL 69 1HG1 VAL 69 7.509 13.555 -23.642 520 HG12 VAL 69 2HG1 VAL 69 8.095 11.961 -23.163 521 HG13 VAL 69 3HG1 VAL 69 9.050 12.960 -24.260 522 HG21 VAL 69 3HG2 VAL 69 10.759 13.168 -20.907 523 HG22 VAL 69 1HG2 VAL 69 11.040 12.748 -22.597 524 HG23 VAL 69 2HG2 VAL 69 9.992 11.739 -21.602 525 H ALA 70 H ALA 70 12.028 15.284 -22.019 526 HA ALA 70 HA ALA 70 11.928 15.817 -19.236 527 HB1 ALA 70 3HB ALA 70 14.310 16.340 -19.421 528 HB2 ALA 70 1HB ALA 70 14.173 16.373 -21.180 529 HB3 ALA 70 2HB ALA 70 13.910 14.864 -20.303 530 H ARG 71 H ARG 71 12.610 18.012 -21.987 531 HA ARG 71 HA ARG 71 12.727 20.353 -20.387 532 HB2 ARG 71 2HB ARG 71 12.528 21.599 -22.526 533 HB3 ARG 71 3HB ARG 71 13.765 20.349 -22.571 534 HG2 ARG 71 2HG ARG 71 12.520 18.984 -23.987 535 HG3 ARG 71 3HG ARG 71 11.000 19.783 -23.584 536 HD2 ARG 71 2HD ARG 71 11.690 20.384 -25.825 537 HD3 ARG 71 3HD ARG 71 11.756 21.794 -24.771 538 HE ARG 71 HE ARG 71 14.297 20.826 -24.722 539 HH11 ARG 71 1HH1 ARG 71 12.115 21.811 -27.195 540 HH12 ARG 71 2HH1 ARG 71 13.381 22.272 -28.280 541 HH21 ARG 71 1HH2 ARG 71 15.918 21.442 -26.130 542 HH22 ARG 71 2HH2 ARG 71 15.500 22.022 -27.705 543 H GLU 72 H GLU 72 10.050 18.858 -22.194 544 HA GLU 72 HA GLU 72 8.273 21.077 -21.761 545 HB2 GLU 72 2HB GLU 72 7.639 18.277 -22.718 546 HB3 GLU 72 3HB GLU 72 6.577 19.672 -22.830 547 HG2 GLU 72 2HG GLU 72 9.225 19.351 -24.244 548 HG3 GLU 72 3HG GLU 72 7.632 19.151 -24.970 549 H GLU 73 H GLU 73 8.409 17.748 -20.457 550 HA GLU 73 HA GLU 73 6.248 18.405 -18.579 551 HB2 GLU 73 2HB GLU 73 7.472 15.750 -19.365 552 HB3 GLU 73 3HB GLU 73 6.168 15.939 -18.200 553 HG2 GLU 73 2HG GLU 73 5.987 16.829 -21.075 554 HG3 GLU 73 3HG GLU 73 5.448 15.253 -20.494 555 H GLY 74 H GLY 74 9.614 17.275 -18.576 556 HA2 GLY 74 2HA GLY 74 9.596 16.999 -15.659 557 HA3 GLY 74 3HA GLY 74 10.903 16.548 -16.740 558 H THR 75 H THR 75 12.666 17.731 -16.486 559 HA THR 75 HA THR 75 12.495 20.622 -16.070 560 HB THR 75 HB THR 75 12.576 19.919 -13.783 561 HG1 THR 75 HG1 THR 75 14.322 21.075 -13.204 562 HG21 THR 75 3HG2 THR 75 14.911 18.154 -14.553 563 HG22 THR 75 1HG2 THR 75 13.298 17.604 -14.093 564 HG23 THR 75 2HG2 THR 75 14.324 18.415 -12.911 565 H GLN 76 H GLN 76 14.682 21.658 -16.124 566 HA GLN 76 HA GLN 76 16.095 20.933 -18.449 567 HB2 GLN 76 2HB GLN 76 15.967 23.230 -17.602 568 HB3 GLN 76 3HB GLN 76 16.893 22.783 -16.181 569 HG2 GLN 76 2HG GLN 76 18.055 22.471 -18.931 570 HG3 GLN 76 3HG GLN 76 18.061 24.032 -18.116 571 HE21 GLN 76 1HE2 GLN 76 20.285 22.330 -18.913 572 HE22 GLN 76 2HE2 GLN 76 21.183 22.019 -17.471 573 H LYS 77 H LYS 77 16.624 20.132 -15.070 574 HA LYS 77 HA LYS 77 19.283 19.312 -15.106 575 HB2 LYS 77 2HB LYS 77 18.201 19.422 -13.008 576 HB3 LYS 77 3HB LYS 77 16.892 18.371 -13.533 577 HG2 LYS 77 2HG LYS 77 18.549 16.499 -13.670 578 HG3 LYS 77 3HG LYS 77 19.740 17.577 -12.941 579 HD2 LYS 77 2HD LYS 77 18.500 17.725 -10.917 580 HD3 LYS 77 3HD LYS 77 17.081 16.973 -11.653 581 HE2 LYS 77 2HE LYS 77 19.741 15.616 -11.204 582 HE3 LYS 77 3HE LYS 77 18.311 15.419 -10.191 583 HZ1 LYS 77 3HZ LYS 77 18.575 14.647 -13.049 584 HZ2 LYS 77 1HZ LYS 77 17.134 14.559 -12.162 585 HZ3 LYS 77 2HZ LYS 77 18.457 13.604 -11.723 586 H ASP 78 H ASP 78 16.402 17.249 -15.654 587 HA ASP 78 HA ASP 78 17.934 14.973 -16.415 588 HB2 ASP 78 2HB ASP 78 15.009 15.641 -16.807 589 HB3 ASP 78 3HB ASP 78 15.723 14.075 -17.189 590 H LEU 79 H LEU 79 16.411 17.597 -18.193 591 HA LEU 79 HA LEU 79 16.676 16.751 -20.815 592 HB2 LEU 79 2HB LEU 79 15.608 18.840 -20.222 593 HB3 LEU 79 3HB LEU 79 17.117 19.490 -19.611 594 HG LEU 79 HG LEU 79 18.020 19.382 -21.961 595 HD11 LEU 79 1HD1 LEU 79 15.136 18.824 -22.655 596 HD12 LEU 79 2HD1 LEU 79 16.487 17.709 -22.857 597 HD13 LEU 79 3HD1 LEU 79 16.424 19.197 -23.800 598 HD21 LEU 79 3HD2 LEU 79 15.578 21.099 -21.503 599 HD22 LEU 79 1HD2 LEU 79 16.830 21.390 -22.711 600 HD23 LEU 79 2HD2 LEU 79 17.225 21.470 -20.994 601 H SER 80 H SER 80 19.118 18.467 -18.850 602 HA SER 80 HA SER 80 21.194 18.444 -20.747 603 HB2 SER 80 2HB SER 80 21.216 19.859 -18.710 604 HB3 SER 80 3HB SER 80 21.449 18.417 -17.723 605 HG SER 80 HG SER 80 23.480 19.017 -18.018 606 H GLU 81 H GLU 81 20.488 16.161 -18.097 607 HA GLU 81 HA GLU 81 22.710 14.483 -18.443 608 HB2 GLU 81 2HB GLU 81 19.952 13.770 -17.411 609 HB3 GLU 81 3HB GLU 81 21.396 12.784 -17.211 610 HG2 GLU 81 2HG GLU 81 22.431 14.622 -15.919 611 HG3 GLU 81 3HG GLU 81 20.928 15.533 -16.062 612 H LEU 82 H LEU 82 19.485 14.332 -19.915 613 HA LEU 82 HA LEU 82 19.904 11.869 -21.281 614 HB2 LEU 82 2HB LEU 82 17.885 14.077 -21.664 615 HB3 LEU 82 3HB LEU 82 17.849 12.570 -22.565 616 HG LEU 82 HG LEU 82 17.710 12.710 -19.547 617 HD11 LEU 82 1HD1 LEU 82 15.452 12.419 -21.529 618 HD12 LEU 82 2HD1 LEU 82 15.762 13.819 -20.501 619 HD13 LEU 82 3HD1 LEU 82 15.318 12.276 -19.776 620 HD21 LEU 82 3HD2 LEU 82 16.912 10.393 -19.757 621 HD22 LEU 82 1HD2 LEU 82 18.539 10.589 -20.407 622 HD23 LEU 82 2HD2 LEU 82 17.161 10.471 -21.500 623 H GLN 83 H GLN 83 20.167 15.269 -22.316 624 HA GLN 83 HA GLN 83 20.821 14.785 -25.007 625 HB2 GLN 83 2HB GLN 83 21.658 17.040 -23.167 626 HB3 GLN 83 3HB GLN 83 21.953 17.034 -24.903 627 HG2 GLN 83 2HG GLN 83 19.554 16.950 -25.326 628 HG3 GLN 83 3HG GLN 83 19.239 16.903 -23.594 629 HE21 GLN 83 1HE2 GLN 83 21.323 18.858 -22.972 630 HE22 GLN 83 2HE2 GLN 83 20.702 20.382 -23.480 631 H ASP 84 H ASP 84 22.963 15.166 -22.177 632 HA ASP 84 HA ASP 84 25.388 14.562 -23.472 633 HB2 ASP 84 2HB ASP 84 25.336 15.559 -21.258 634 HB3 ASP 84 3HB ASP 84 24.533 14.140 -20.594 635 H ALA 85 H ALA 85 22.945 12.469 -22.001 636 HA ALA 85 HA ALA 85 24.378 10.069 -21.930 637 HB1 ALA 85 3HB ALA 85 22.212 8.957 -21.773 638 HB2 ALA 85 1HB ALA 85 21.405 10.432 -22.309 639 HB3 ALA 85 2HB ALA 85 22.253 10.402 -20.762 640 H LYS 86 H LYS 86 22.164 11.252 -24.501 641 HA LYS 86 HA LYS 86 22.713 9.017 -26.195 642 HB2 LYS 86 2HB LYS 86 21.320 9.987 -27.785 643 HB3 LYS 86 3HB LYS 86 20.677 10.615 -26.273 644 HG2 LYS 86 2HG LYS 86 21.806 12.730 -26.634 645 HG3 LYS 86 3HG LYS 86 22.556 12.103 -28.105 646 HD2 LYS 86 2HD LYS 86 20.221 11.725 -29.000 647 HD3 LYS 86 3HD LYS 86 19.626 12.639 -27.610 648 HE2 LYS 86 2HE LYS 86 19.806 14.142 -29.467 649 HE3 LYS 86 3HE LYS 86 21.086 14.534 -28.320 650 HZ1 LYS 86 3HZ LYS 86 22.579 13.127 -29.743 651 HZ2 LYS 86 1HZ LYS 86 22.039 14.560 -30.463 652 HZ3 LYS 86 2HZ LYS 86 21.343 13.082 -30.892 653 H LEU 87 H LEU 87 24.151 12.204 -25.825 654 HA LEU 87 HA LEU 87 25.604 12.340 -28.219 655 HB2 LEU 87 2HB LEU 87 25.288 14.244 -26.711 656 HB3 LEU 87 3HB LEU 87 26.293 13.469 -25.502 657 HG LEU 87 HG LEU 87 28.246 13.653 -26.995 658 HD11 LEU 87 1HD1 LEU 87 28.121 14.979 -29.044 659 HD12 LEU 87 2HD1 LEU 87 26.373 15.129 -28.849 660 HD13 LEU 87 3HD1 LEU 87 27.098 13.547 -29.142 661 HD21 LEU 87 3HD2 LEU 87 26.804 16.275 -26.588 662 HD22 LEU 87 1HD2 LEU 87 28.538 16.071 -26.843 663 HD23 LEU 87 2HD2 LEU 87 27.780 15.435 -25.384 664 H LYS 88 H LYS 88 26.774 11.266 -24.995 665 HA LYS 88 HA LYS 88 29.255 10.314 -25.905 666 HB2 LYS 88 2HB LYS 88 29.384 9.069 -23.782 667 HB3 LYS 88 3HB LYS 88 28.866 10.729 -23.547 668 HG2 LYS 88 2HG LYS 88 27.411 9.678 -22.149 669 HG3 LYS 88 3HG LYS 88 26.457 9.632 -23.631 670 HD2 LYS 88 2HD LYS 88 27.267 7.336 -24.055 671 HD3 LYS 88 3HD LYS 88 28.182 7.393 -22.548 672 HE2 LYS 88 2HE LYS 88 26.056 7.746 -21.321 673 HE3 LYS 88 3HE LYS 88 25.180 7.567 -22.839 674 HZ1 LYS 88 3HZ LYS 88 25.156 5.493 -21.692 675 HZ2 LYS 88 1HZ LYS 88 26.836 5.511 -21.489 676 HZ3 LYS 88 2HZ LYS 88 26.168 5.328 -23.032 677 H ALA 89 H ALA 89 26.085 8.809 -25.887 678 HA ALA 89 HA ALA 89 26.911 6.156 -26.471 679 HB1 ALA 89 3HB ALA 89 24.297 7.505 -27.163 680 HB2 ALA 89 1HB ALA 89 24.665 6.706 -25.633 681 HB3 ALA 89 2HB ALA 89 24.596 5.766 -27.125 682 H GLU 90 H GLU 90 25.819 8.809 -28.599 683 HA GLU 90 HA GLU 90 26.168 7.464 -31.050 684 HB2 GLU 90 2HB GLU 90 26.311 10.434 -30.451 685 HB3 GLU 90 3HB GLU 90 26.181 9.739 -32.061 686 HG2 GLU 90 2HG GLU 90 23.999 8.776 -31.453 687 HG3 GLU 90 3HG GLU 90 24.131 9.514 -29.858 688 H GLY 91 H GLY 91 28.440 8.909 -28.886 689 HA2 GLY 91 2HA GLY 91 30.596 9.045 -30.828 690 HA3 GLY 91 3HA GLY 91 30.713 9.373 -29.107 691 H LEU 92 H LEU 92 29.301 6.622 -28.729 692 HA LEU 92 HA LEU 92 31.629 5.144 -28.149 693 HB2 LEU 92 2HB LEU 92 28.763 4.234 -28.451 694 HB3 LEU 92 3HB LEU 92 30.051 3.195 -27.871 695 HG LEU 92 HG LEU 92 29.080 5.719 -26.517 696 HD11 LEU 92 1HD1 LEU 92 27.464 3.901 -26.365 697 HD12 LEU 92 2HD1 LEU 92 28.212 4.210 -24.800 698 HD13 LEU 92 3HD1 LEU 92 28.718 2.819 -25.758 699 HD21 LEU 92 3HD2 LEU 92 31.465 5.360 -26.147 700 HD22 LEU 92 1HD2 LEU 92 31.150 3.701 -25.636 701 HD23 LEU 92 2HD2 LEU 92 30.548 5.052 -24.674 702 H GLU 93 H GLU 93 29.139 4.189 -30.541 703 HA GLU 93 HA GLU 93 31.245 2.762 -32.012 704 HB2 GLU 93 2HB GLU 93 29.285 1.576 -33.111 705 HB3 GLU 93 3HB GLU 93 29.560 1.239 -31.412 706 HG2 GLU 93 2HG GLU 93 27.240 1.436 -31.635 707 HG3 GLU 93 3HG GLU 93 27.758 2.957 -30.917 708 H HIS 94 H HIS 94 31.473 2.932 -34.255 709 HA HIS 94 HA HIS 94 30.701 5.544 -35.291 710 HB2 HIS 94 2HB HIS 94 33.046 4.854 -35.486 711 HB3 HIS 94 3HB HIS 94 32.572 3.454 -36.438 712 HD1 HIS 94 HD1 HIS 94 33.839 4.113 -38.531 713 HD2 HIS 94 HD2 HIS 94 31.204 7.060 -37.246 714 HE1 HIS 94 HE1 HIS 94 33.743 5.789 -40.395 715 HE2 HIS 94 HE2 HIS 94 32.277 7.637 -39.529 716 H HIS 95 H HIS 95 28.399 4.783 -35.388 717 HA HIS 95 HA HIS 95 27.409 3.009 -37.271 718 HB2 HIS 95 2HB HIS 95 25.414 4.624 -37.374 719 HB3 HIS 95 3HB HIS 95 25.836 3.952 -35.804 720 HD1 HIS 95 HD1 HIS 95 26.573 5.564 -33.992 721 HD2 HIS 95 HD2 HIS 95 25.963 7.405 -37.665 722 HE1 HIS 95 HE1 HIS 95 26.600 8.021 -33.518 723 HE2 HIS 95 HE2 HIS 95 25.984 9.095 -35.706 724 H HIS 96 H HIS 96 27.191 2.979 -39.452 725 HA HIS 96 HA HIS 96 29.050 4.682 -40.837 726 HB2 HIS 96 2HB HIS 96 27.323 2.429 -41.877 727 HB3 HIS 96 3HB HIS 96 28.617 3.217 -42.776 728 HD1 HIS 96 HD1 HIS 96 31.061 2.705 -42.039 729 HD2 HIS 96 HD2 HIS 96 28.156 0.599 -39.942 730 HE1 HIS 96 HE1 HIS 96 32.293 0.891 -40.814 731 HE2 HIS 96 HE2 HIS 96 30.541 -0.234 -39.403 732 H HIS 97 H HIS 97 28.289 6.738 -41.099 733 HA HIS 97 HA HIS 97 25.994 7.023 -42.948 734 HB2 HIS 97 2HB HIS 97 25.540 8.046 -40.720 735 HB3 HIS 97 3HB HIS 97 26.944 9.087 -40.937 736 HD1 HIS 97 HD1 HIS 97 26.684 11.120 -42.489 737 HD2 HIS 97 HD2 HIS 97 23.304 8.699 -42.347 738 HE1 HIS 97 HE1 HIS 97 24.880 12.406 -43.669 739 HE2 HIS 97 HE2 HIS 97 22.893 10.867 -43.694 740 H HIS 98 H HIS 98 26.921 7.193 -44.906 741 HA HIS 98 HA HIS 98 29.550 8.148 -45.343 742 HB2 HIS 98 2HB HIS 98 28.282 6.497 -46.766 743 HB3 HIS 98 3HB HIS 98 27.374 7.853 -47.423 744 HD1 HIS 98 HD1 HIS 98 30.682 6.171 -47.550 745 HD2 HIS 98 HD2 HIS 98 28.838 9.512 -49.196 746 HE1 HIS 98 HE1 HIS 98 32.202 6.939 -49.399 747 HE2 HIS 98 HE2 HIS 98 31.132 9.034 -50.291 748 H HIS 99 H HIS 99 30.307 10.161 -45.600 749 HA HIS 99 HA HIS 99 28.403 12.351 -46.172 750 HB2 HIS 99 2HB HIS 99 29.563 12.503 -43.991 751 HB3 HIS 99 3HB HIS 99 31.117 12.481 -44.815 752 HD1 HIS 99 HD1 HIS 99 28.386 14.731 -43.786 753 HD2 HIS 99 HD2 HIS 99 31.686 14.886 -46.303 754 HE1 HIS 99 HE1 HIS 99 28.760 17.167 -44.253 755 HE2 HIS 99 HE2 HIS 99 30.833 17.242 -45.671 Start of MODEL 2 1 H1 GLU 1 1H GLU 1 1.969 1.492 -2.224 2 H2 GLU 1 2H GLU 1 3.054 1.889 -3.459 3 H3 GLU 1 3H GLU 1 3.338 2.435 -1.887 4 HA GLU 1 HA GLU 1 4.803 0.628 -2.344 5 HB2 GLU 1 2HB GLU 1 2.553 -0.254 -0.518 6 HB3 GLU 1 3HB GLU 1 4.203 -0.864 -0.485 7 HG2 GLU 1 2HG GLU 1 5.011 1.368 0.127 8 HG3 GLU 1 3HG GLU 1 3.354 1.968 0.109 9 H ASP 2 H ASP 2 2.117 0.417 -4.076 10 HA ASP 2 HA ASP 2 2.217 -2.480 -4.586 11 HB2 ASP 2 2HB ASP 2 0.233 -0.441 -5.634 12 HB3 ASP 2 3HB ASP 2 0.080 -2.196 -5.684 13 HA PRO 3 HA PRO 3 4.396 -2.060 -8.456 14 HB2 PRO 3 2HB PRO 3 2.801 -3.627 -10.122 15 HB3 PRO 3 3HB PRO 3 4.082 -4.232 -9.067 16 HG2 PRO 3 2HG PRO 3 1.126 -4.130 -8.599 17 HG3 PRO 3 3HG PRO 3 2.283 -5.410 -8.186 18 HD2 PRO 3 2HD PRO 3 1.356 -3.728 -6.320 19 HD3 PRO 3 3HD PRO 3 3.049 -4.270 -6.299 20 H GLU 4 H GLU 4 1.126 -1.066 -8.153 21 HA GLU 4 HA GLU 4 0.772 0.081 -10.744 22 HB2 GLU 4 2HB GLU 4 -0.637 0.662 -8.129 23 HB3 GLU 4 3HB GLU 4 -1.168 1.226 -9.709 24 HG2 GLU 4 2HG GLU 4 -1.539 -1.050 -10.442 25 HG3 GLU 4 3HG GLU 4 -0.890 -1.673 -8.926 26 H ASP 5 H ASP 5 2.182 1.232 -7.739 27 HA ASP 5 HA ASP 5 2.237 3.998 -8.316 28 HB2 ASP 5 2HB ASP 5 4.161 2.361 -6.642 29 HB3 ASP 5 3HB ASP 5 4.045 4.118 -6.631 30 HA PRO 6 HA PRO 6 5.053 4.188 -11.787 31 HB2 PRO 6 2HB PRO 6 6.113 6.710 -11.090 32 HB3 PRO 6 3HB PRO 6 4.736 6.402 -12.151 33 HG2 PRO 6 2HG PRO 6 4.776 7.130 -9.256 34 HG3 PRO 6 3HG PRO 6 3.627 7.606 -10.521 35 HD2 PRO 6 2HD PRO 6 2.975 5.760 -8.701 36 HD3 PRO 6 3HD PRO 6 2.462 5.586 -10.394 37 H PHE 7 H PHE 7 6.236 5.122 -8.556 38 HA PHE 7 HA PHE 7 8.988 4.689 -9.165 39 HB2 PHE 7 2HB PHE 7 8.258 6.164 -7.335 40 HB3 PHE 7 3HB PHE 7 7.601 4.776 -6.475 41 HD1 PHE 7 HD2 PHE 7 10.800 6.037 -7.925 42 HD2 PHE 7 HD1 PHE 7 8.930 3.683 -4.907 43 HE1 PHE 7 HE2 PHE 7 12.986 5.683 -6.849 44 HE2 PHE 7 HE1 PHE 7 11.112 3.328 -3.830 45 HZ PHE 7 HZ PHE 7 13.143 4.329 -4.799 46 H THR 8 H THR 8 6.491 2.667 -7.618 47 HA THR 8 HA THR 8 8.179 0.577 -6.784 48 HB THR 8 HB THR 8 5.302 0.208 -7.651 49 HG1 THR 8 HG1 THR 8 4.677 1.022 -5.735 50 HG21 THR 8 3HG2 THR 8 7.007 -1.226 -5.599 51 HG22 THR 8 1HG2 THR 8 6.510 -1.865 -7.166 52 HG23 THR 8 2HG2 THR 8 5.302 -1.546 -5.922 53 H ARG 9 H ARG 9 6.095 0.704 -9.694 54 HA ARG 9 HA ARG 9 6.983 -1.655 -10.904 55 HB2 ARG 9 2HB ARG 9 6.202 -0.524 -13.058 56 HB3 ARG 9 3HB ARG 9 5.023 -0.677 -11.762 57 HG2 ARG 9 2HG ARG 9 5.698 1.713 -11.119 58 HG3 ARG 9 3HG ARG 9 6.460 1.787 -12.704 59 HD2 ARG 9 2HD ARG 9 3.573 0.996 -12.344 60 HD3 ARG 9 3HD ARG 9 4.075 2.678 -12.490 61 HE ARG 9 HE ARG 9 4.524 2.345 -14.728 62 HH11 ARG 9 1HH1 ARG 9 3.724 -0.670 -13.255 63 HH12 ARG 9 2HH1 ARG 9 3.531 -1.480 -14.768 64 HH21 ARG 9 1HH2 ARG 9 4.219 1.300 -16.665 65 HH22 ARG 9 2HH2 ARG 9 3.802 -0.382 -16.665 66 H TYR 10 H TYR 10 8.377 1.596 -11.051 67 HA TYR 10 HA TYR 10 10.444 1.040 -12.898 68 HB2 TYR 10 2HB TYR 10 9.885 3.322 -12.322 69 HB3 TYR 10 3HB TYR 10 10.271 3.040 -10.631 70 HD1 TYR 10 HD1 TYR 10 11.747 3.367 -14.024 71 HD2 TYR 10 HD2 TYR 10 12.504 3.267 -9.830 72 HE1 TYR 10 HE1 TYR 10 14.037 4.178 -14.419 73 HE2 TYR 10 HE2 TYR 10 14.790 4.074 -10.218 74 HH TYR 10 HH TYR 10 15.804 5.530 -12.885 75 H ALA 11 H ALA 11 10.339 0.836 -9.345 76 HA ALA 11 HA ALA 11 12.993 0.015 -8.916 77 HB1 ALA 11 3HB ALA 11 11.519 0.824 -7.127 78 HB2 ALA 11 1HB ALA 11 12.232 -0.739 -6.727 79 HB3 ALA 11 2HB ALA 11 10.554 -0.647 -7.262 80 H LEU 12 H LEU 12 10.032 -1.930 -9.389 81 HA LEU 12 HA LEU 12 11.209 -4.467 -9.168 82 HB2 LEU 12 2HB LEU 12 8.730 -3.429 -10.471 83 HB3 LEU 12 3HB LEU 12 9.245 -5.058 -10.857 84 HG LEU 12 HG LEU 12 7.565 -5.048 -9.079 85 HD11 LEU 12 1HD1 LEU 12 8.758 -6.436 -7.455 86 HD12 LEU 12 2HD1 LEU 12 10.299 -5.883 -8.110 87 HD13 LEU 12 3HD1 LEU 12 9.206 -6.841 -9.111 88 HD21 LEU 12 3HD2 LEU 12 8.068 -4.138 -6.870 89 HD22 LEU 12 1HD2 LEU 12 8.054 -2.869 -8.093 90 HD23 LEU 12 2HD2 LEU 12 9.589 -3.480 -7.475 91 H ALA 13 H ALA 13 10.829 -2.364 -12.016 92 HA ALA 13 HA ALA 13 11.902 -4.012 -13.975 93 HB1 ALA 13 3HB ALA 13 12.577 -1.965 -15.145 94 HB2 ALA 13 1HB ALA 13 12.332 -1.035 -13.668 95 HB3 ALA 13 2HB ALA 13 10.959 -1.809 -14.460 96 H GLN 14 H GLN 14 13.665 -1.818 -11.776 97 HA GLN 14 HA GLN 14 16.259 -2.583 -12.621 98 HB2 GLN 14 2HB GLN 14 15.387 -1.427 -9.962 99 HB3 GLN 14 3HB GLN 14 17.047 -1.517 -10.539 100 HG2 GLN 14 2HG GLN 14 16.412 -0.066 -12.448 101 HG3 GLN 14 3HG GLN 14 14.802 0.094 -11.747 102 HE21 GLN 14 1HE2 GLN 14 16.781 2.149 -12.287 103 HE22 GLN 14 2HE2 GLN 14 17.094 2.919 -10.778 104 H GLU 15 H GLU 15 14.089 -3.877 -10.137 105 HA GLU 15 HA GLU 15 15.836 -5.617 -8.829 106 HB2 GLU 15 2HB GLU 15 12.881 -5.884 -9.413 107 HB3 GLU 15 3HB GLU 15 13.761 -7.038 -8.421 108 HG2 GLU 15 2HG GLU 15 13.521 -4.089 -7.836 109 HG3 GLU 15 3HG GLU 15 12.534 -5.353 -7.106 110 H HIS 16 H HIS 16 13.905 -6.190 -11.774 111 HA HIS 16 HA HIS 16 14.720 -8.837 -12.225 112 HB2 HIS 16 2HB HIS 16 13.902 -6.691 -14.194 113 HB3 HIS 16 3HB HIS 16 14.173 -8.371 -14.647 114 HD1 HIS 16 HD1 HIS 16 12.452 -10.139 -13.667 115 HD2 HIS 16 HD2 HIS 16 11.455 -6.160 -13.025 116 HE1 HIS 16 HE1 HIS 16 10.026 -10.147 -13.041 117 HE2 HIS 16 HE2 HIS 16 9.487 -7.753 -12.501 118 H LEU 17 H LEU 17 16.226 -5.777 -13.276 119 HA LEU 17 HA LEU 17 18.433 -6.869 -14.638 120 HB2 LEU 17 2HB LEU 17 18.212 -4.317 -13.029 121 HB3 LEU 17 3HB LEU 17 19.608 -4.727 -14.006 122 HG LEU 17 HG LEU 17 16.809 -4.336 -15.080 123 HD11 LEU 17 1HD1 LEU 17 17.656 -2.240 -16.005 124 HD12 LEU 17 2HD1 LEU 17 19.203 -2.500 -15.198 125 HD13 LEU 17 3HD1 LEU 17 17.741 -2.242 -14.244 126 HD21 LEU 17 3HD2 LEU 17 18.144 -5.882 -16.425 127 HD22 LEU 17 1HD2 LEU 17 19.445 -4.696 -16.513 128 HD23 LEU 17 2HD2 LEU 17 17.888 -4.356 -17.273 129 H LYS 18 H LYS 18 18.054 -6.023 -11.208 130 HA LYS 18 HA LYS 18 20.646 -6.779 -10.370 131 HB2 LYS 18 2HB LYS 18 18.065 -6.685 -8.781 132 HB3 LYS 18 3HB LYS 18 19.683 -6.762 -8.092 133 HG2 LYS 18 2HG LYS 18 20.225 -4.583 -8.949 134 HG3 LYS 18 3HG LYS 18 18.717 -4.516 -9.861 135 HD2 LYS 18 2HD LYS 18 18.490 -3.167 -7.880 136 HD3 LYS 18 3HD LYS 18 17.464 -4.592 -7.720 137 HE2 LYS 18 2HE LYS 18 18.590 -4.174 -5.627 138 HE3 LYS 18 3HE LYS 18 19.220 -5.659 -6.341 139 HZ1 LYS 18 3HZ LYS 18 21.137 -4.410 -7.137 140 HZ2 LYS 18 1HZ LYS 18 20.990 -4.279 -5.459 141 HZ3 LYS 18 2HZ LYS 18 20.527 -2.991 -6.447 142 H HIS 19 H HIS 19 17.802 -8.622 -11.079 143 HA HIS 19 HA HIS 19 19.063 -11.077 -10.046 144 HB2 HIS 19 2HB HIS 19 16.207 -10.504 -10.867 145 HB3 HIS 19 3HB HIS 19 16.797 -12.112 -10.457 146 HD1 HIS 19 HD1 HIS 19 17.801 -12.299 -7.908 147 HD2 HIS 19 HD2 HIS 19 15.317 -9.070 -8.731 148 HE1 HIS 19 HE1 HIS 19 17.011 -11.471 -5.676 149 HE2 HIS 19 HE2 HIS 19 15.383 -9.632 -6.208 150 H ASP 20 H ASP 20 19.849 -9.652 -12.541 151 HA ASP 20 HA ASP 20 20.864 -10.340 -14.448 152 HB2 ASP 20 2HB ASP 20 21.424 -12.427 -13.420 153 HB3 ASP 20 3HB ASP 20 19.791 -13.045 -13.637 154 H ASN 21 H ASN 21 17.457 -10.779 -14.070 155 HA ASN 21 HA ASN 21 16.886 -11.511 -16.780 156 HB2 ASN 21 2HB ASN 21 15.186 -10.555 -14.488 157 HB3 ASN 21 3HB ASN 21 14.508 -10.764 -16.096 158 HD21 ASN 21 1HD2 ASN 21 15.989 -13.040 -16.862 159 HD22 ASN 21 2HD2 ASN 21 15.435 -14.369 -15.909 160 H ALA 22 H ALA 22 18.221 -9.901 -17.829 161 HA ALA 22 HA ALA 22 17.700 -7.120 -17.716 162 HB1 ALA 22 3HB ALA 22 19.112 -6.961 -19.700 163 HB2 ALA 22 1HB ALA 22 19.011 -8.707 -19.925 164 HB3 ALA 22 2HB ALA 22 19.827 -8.046 -18.508 165 H SER 23 H SER 23 16.658 -9.612 -20.063 166 HA SER 23 HA SER 23 15.241 -7.855 -21.767 167 HB2 SER 23 2HB SER 23 14.792 -10.819 -21.298 168 HB3 SER 23 3HB SER 23 14.127 -9.892 -22.643 169 HG SER 23 HG SER 23 16.165 -9.593 -23.447 170 H ARG 24 H ARG 24 14.186 -9.733 -18.953 171 HA ARG 24 HA ARG 24 11.437 -9.048 -19.124 172 HB2 ARG 24 2HB ARG 24 13.134 -9.945 -16.790 173 HB3 ARG 24 3HB ARG 24 11.393 -9.751 -16.697 174 HG2 ARG 24 2HG ARG 24 12.873 -11.655 -18.512 175 HG3 ARG 24 3HG ARG 24 11.974 -12.080 -17.053 176 HD2 ARG 24 2HD ARG 24 9.905 -11.307 -18.067 177 HD3 ARG 24 3HD ARG 24 10.778 -10.773 -19.502 178 HE ARG 24 HE ARG 24 11.245 -13.515 -19.105 179 HH11 ARG 24 1HH1 ARG 24 8.708 -11.364 -19.987 180 HH12 ARG 24 2HH1 ARG 24 7.904 -12.537 -20.970 181 HH21 ARG 24 1HH2 ARG 24 10.219 -15.013 -20.363 182 HH22 ARG 24 2HH2 ARG 24 8.752 -14.591 -21.180 183 H ALA 25 H ALA 25 14.188 -7.505 -17.506 184 HA ALA 25 HA ALA 25 12.721 -5.420 -16.260 185 HB1 ALA 25 3HB ALA 25 15.577 -5.381 -17.238 186 HB2 ALA 25 1HB ALA 25 15.041 -5.995 -15.674 187 HB3 ALA 25 2HB ALA 25 14.856 -4.284 -16.058 188 H LEU 26 H LEU 26 14.413 -5.614 -19.374 189 HA LEU 26 HA LEU 26 13.954 -3.111 -20.422 190 HB2 LEU 26 2HB LEU 26 15.315 -4.871 -21.490 191 HB3 LEU 26 3HB LEU 26 13.856 -5.761 -21.884 192 HG LEU 26 HG LEU 26 13.146 -3.911 -23.372 193 HD11 LEU 26 1HD1 LEU 26 14.721 -2.141 -23.955 194 HD12 LEU 26 2HD1 LEU 26 15.851 -2.732 -22.735 195 HD13 LEU 26 3HD1 LEU 26 14.290 -2.070 -22.247 196 HD21 LEU 26 3HD2 LEU 26 14.396 -5.814 -24.278 197 HD22 LEU 26 1HD2 LEU 26 15.914 -4.971 -23.964 198 HD23 LEU 26 2HD2 LEU 26 14.771 -4.325 -25.145 199 H ALA 27 H ALA 27 11.798 -5.948 -20.632 200 HA ALA 27 HA ALA 27 9.686 -4.824 -22.038 201 HB1 ALA 27 3HB ALA 27 8.282 -6.556 -21.044 202 HB2 ALA 27 1HB ALA 27 9.508 -6.856 -19.810 203 HB3 ALA 27 2HB ALA 27 9.854 -7.208 -21.502 204 H LEU 28 H LEU 28 10.260 -4.746 -18.511 205 HA LEU 28 HA LEU 28 7.888 -3.313 -17.888 206 HB2 LEU 28 2HB LEU 28 10.475 -3.713 -16.403 207 HB3 LEU 28 3HB LEU 28 9.194 -2.703 -15.755 208 HG LEU 28 HG LEU 28 8.966 -5.653 -16.394 209 HD11 LEU 28 1HD1 LEU 28 8.792 -5.944 -13.980 210 HD12 LEU 28 2HD1 LEU 28 9.032 -4.212 -13.742 211 HD13 LEU 28 3HD1 LEU 28 10.329 -5.198 -14.418 212 HD21 LEU 28 3HD2 LEU 28 6.760 -5.524 -15.367 213 HD22 LEU 28 1HD2 LEU 28 6.849 -4.459 -16.770 214 HD23 LEU 28 2HD2 LEU 28 6.944 -3.784 -15.141 215 H PHE 29 H PHE 29 11.233 -2.181 -18.478 216 HA PHE 29 HA PHE 29 10.745 0.550 -18.036 217 HB2 PHE 29 2HB PHE 29 12.767 -0.864 -19.774 218 HB3 PHE 29 3HB PHE 29 12.706 0.890 -19.662 219 HD1 PHE 29 HD1 PHE 29 12.755 1.860 -17.221 220 HD2 PHE 29 HD2 PHE 29 14.137 -2.021 -18.302 221 HE1 PHE 29 HE1 PHE 29 14.172 1.807 -15.209 222 HE2 PHE 29 HE2 PHE 29 15.547 -2.083 -16.291 223 HZ PHE 29 HZ PHE 29 15.569 -0.169 -14.744 224 H GLU 30 H GLU 30 10.555 -1.320 -21.075 225 HA GLU 30 HA GLU 30 9.744 0.761 -22.764 226 HB2 GLU 30 2HB GLU 30 9.039 -2.183 -22.879 227 HB3 GLU 30 3HB GLU 30 8.744 -1.041 -24.182 228 HG2 GLU 30 2HG GLU 30 11.197 -0.610 -24.282 229 HG3 GLU 30 3HG GLU 30 11.424 -1.883 -23.084 230 H GLU 31 H GLU 31 7.839 -1.359 -20.666 231 HA GLU 31 HA GLU 31 5.274 -0.408 -21.357 232 HB2 GLU 31 2HB GLU 31 5.692 -2.469 -20.047 233 HB3 GLU 31 3HB GLU 31 6.232 -1.488 -18.691 234 HG2 GLU 31 2HG GLU 31 3.973 -0.470 -18.586 235 HG3 GLU 31 3HG GLU 31 3.457 -1.559 -19.873 236 H LEU 32 H LEU 32 7.524 0.607 -18.791 237 HA LEU 32 HA LEU 32 6.025 2.582 -17.555 238 HB2 LEU 32 2HB LEU 32 8.997 2.507 -18.088 239 HB3 LEU 32 3HB LEU 32 8.228 3.637 -16.991 240 HG LEU 32 HG LEU 32 8.160 0.632 -16.655 241 HD11 LEU 32 1HD1 LEU 32 9.800 0.959 -14.870 242 HD12 LEU 32 2HD1 LEU 32 9.902 2.674 -15.268 243 HD13 LEU 32 3HD1 LEU 32 10.446 1.465 -16.431 244 HD21 LEU 32 3HD2 LEU 32 7.388 2.874 -14.786 245 HD22 LEU 32 1HD2 LEU 32 7.380 1.154 -14.398 246 HD23 LEU 32 2HD2 LEU 32 6.277 1.786 -15.619 247 H VAL 33 H VAL 33 7.955 2.798 -20.505 248 HA VAL 33 HA VAL 33 7.938 5.543 -20.946 249 HB VAL 33 HB VAL 33 7.882 3.262 -22.930 250 HG11 VAL 33 1HG1 VAL 33 8.711 4.889 -24.605 251 HG12 VAL 33 2HG1 VAL 33 8.384 6.192 -23.462 252 HG13 VAL 33 3HG1 VAL 33 7.057 5.215 -24.087 253 HG21 VAL 33 3HG2 VAL 33 10.284 3.734 -23.135 254 HG22 VAL 33 1HG2 VAL 33 9.840 3.317 -21.479 255 HG23 VAL 33 2HG2 VAL 33 10.137 5.001 -21.915 256 H GLU 34 H GLU 34 5.513 3.151 -22.009 257 HA GLU 34 HA GLU 34 3.859 5.205 -23.200 258 HB2 GLU 34 2HB GLU 34 2.306 3.293 -23.680 259 HB3 GLU 34 3HB GLU 34 3.923 3.118 -24.346 260 HG2 GLU 34 2HG GLU 34 4.518 1.642 -22.470 261 HG3 GLU 34 3HG GLU 34 2.871 1.786 -21.856 262 H THR 35 H THR 35 3.809 3.298 -20.221 263 HA THR 35 HA THR 35 1.106 4.058 -19.539 264 HB THR 35 HB THR 35 1.502 2.908 -17.400 265 HG1 THR 35 HG1 THR 35 3.665 3.356 -17.007 266 HG21 THR 35 3HG2 THR 35 0.832 1.566 -19.330 267 HG22 THR 35 1HG2 THR 35 1.931 0.654 -18.295 268 HG23 THR 35 2HG2 THR 35 2.521 1.368 -19.796 269 H ASP 36 H ASP 36 4.338 4.957 -18.309 270 HA ASP 36 HA ASP 36 3.090 7.260 -16.934 271 HB2 ASP 36 2HB ASP 36 5.509 5.683 -15.999 272 HB3 ASP 36 3HB ASP 36 4.798 7.072 -15.179 273 HA PRO 37 HA PRO 37 6.193 8.803 -20.040 274 HB2 PRO 37 2HB PRO 37 4.718 10.851 -21.006 275 HB3 PRO 37 3HB PRO 37 4.495 9.184 -21.549 276 HG2 PRO 37 2HG PRO 37 2.909 10.746 -19.538 277 HG3 PRO 37 3HG PRO 37 2.329 9.692 -20.842 278 HD2 PRO 37 2HD PRO 37 2.499 8.884 -18.247 279 HD3 PRO 37 3HD PRO 37 2.693 7.771 -19.616 280 H ASP 38 H ASP 38 4.636 10.290 -17.327 281 HA ASP 38 HA ASP 38 6.153 12.754 -17.476 282 HB2 ASP 38 2HB ASP 38 5.047 13.331 -15.375 283 HB3 ASP 38 3HB ASP 38 3.874 12.741 -16.547 284 H TYR 39 H TYR 39 6.903 9.651 -16.525 285 HA TYR 39 HA TYR 39 8.736 10.471 -14.385 286 HB2 TYR 39 2HB TYR 39 7.139 8.461 -14.193 287 HB3 TYR 39 3HB TYR 39 8.219 7.641 -15.314 288 HD1 TYR 39 HD1 TYR 39 8.369 9.568 -12.112 289 HD2 TYR 39 HD2 TYR 39 9.905 6.323 -14.399 290 HE1 TYR 39 HE1 TYR 39 9.777 8.905 -10.214 291 HE2 TYR 39 HE2 TYR 39 11.315 5.653 -12.504 292 HH TYR 39 HH TYR 39 10.916 6.910 -9.365 293 H VAL 40 H VAL 40 10.402 11.466 -15.516 294 HA VAL 40 HA VAL 40 11.413 10.543 -17.996 295 HB VAL 40 HB VAL 40 12.786 12.395 -16.037 296 HG11 VAL 40 1HG1 VAL 40 13.895 13.275 -18.079 297 HG12 VAL 40 2HG1 VAL 40 13.146 11.982 -19.013 298 HG13 VAL 40 3HG1 VAL 40 14.309 11.595 -17.745 299 HG21 VAL 40 3HG2 VAL 40 10.514 13.165 -16.578 300 HG22 VAL 40 1HG2 VAL 40 10.881 13.048 -18.299 301 HG23 VAL 40 2HG2 VAL 40 11.735 14.220 -17.293 302 H GLY 41 H GLY 41 12.404 9.906 -14.673 303 HA2 GLY 41 2HA GLY 41 14.929 8.879 -14.919 304 HA3 GLY 41 3HA GLY 41 13.727 8.211 -13.828 305 H THR 42 H THR 42 11.937 7.272 -15.870 306 HA THR 42 HA THR 42 12.951 4.726 -16.458 307 HB THR 42 HB THR 42 10.710 6.237 -17.828 308 HG1 THR 42 HG1 THR 42 9.434 5.397 -16.297 309 HG21 THR 42 3HG2 THR 42 11.539 4.399 -19.239 310 HG22 THR 42 1HG2 THR 42 9.928 4.054 -18.614 311 HG23 THR 42 2HG2 THR 42 11.339 3.276 -17.893 312 H TYR 43 H TYR 43 12.529 7.530 -18.632 313 HA TYR 43 HA TYR 43 13.367 6.288 -20.988 314 HB2 TYR 43 2HB TYR 43 13.455 9.207 -20.199 315 HB3 TYR 43 3HB TYR 43 13.740 8.620 -21.835 316 HD1 TYR 43 HD1 TYR 43 11.893 7.538 -23.097 317 HD2 TYR 43 HD2 TYR 43 11.226 9.390 -19.325 318 HE1 TYR 43 HE1 TYR 43 9.486 7.597 -23.557 319 HE2 TYR 43 HE2 TYR 43 8.810 9.449 -19.775 320 HH TYR 43 HH TYR 43 7.329 7.665 -22.117 321 H TYR 44 H TYR 44 15.290 8.156 -18.644 322 HA TYR 44 HA TYR 44 17.674 8.176 -20.150 323 HB2 TYR 44 2HB TYR 44 17.268 9.675 -18.222 324 HB3 TYR 44 3HB TYR 44 17.390 8.294 -17.135 325 HD1 TYR 44 HD1 TYR 44 19.347 10.028 -19.810 326 HD2 TYR 44 HD2 TYR 44 19.472 7.842 -16.156 327 HE1 TYR 44 HE1 TYR 44 21.777 10.355 -19.700 328 HE2 TYR 44 HE2 TYR 44 21.907 8.167 -16.045 329 HH TYR 44 HH TYR 44 23.573 10.308 -18.214 330 H HIS 45 H HIS 45 16.671 5.987 -17.503 331 HA HIS 45 HA HIS 45 19.074 4.433 -17.684 332 HB2 HIS 45 2HB HIS 45 16.465 3.910 -16.245 333 HB3 HIS 45 3HB HIS 45 17.888 2.879 -16.109 334 HD1 HIS 45 HD1 HIS 45 19.764 3.659 -14.580 335 HD2 HIS 45 HD2 HIS 45 16.777 6.506 -15.076 336 HE1 HIS 45 HE1 HIS 45 20.234 5.440 -12.869 337 HE2 HIS 45 HE2 HIS 45 18.322 7.062 -13.087 338 H LEU 46 H LEU 46 15.834 4.095 -19.057 339 HA LEU 46 HA LEU 46 16.104 1.506 -20.122 340 HB2 LEU 46 2HB LEU 46 13.953 2.575 -20.146 341 HB3 LEU 46 3HB LEU 46 14.560 3.903 -21.116 342 HG LEU 46 HG LEU 46 14.844 2.401 -23.036 343 HD11 LEU 46 1HD1 LEU 46 15.323 0.332 -21.850 344 HD12 LEU 46 2HD1 LEU 46 13.983 0.114 -22.975 345 HD13 LEU 46 3HD1 LEU 46 13.668 0.276 -21.249 346 HD21 LEU 46 3HD2 LEU 46 12.087 2.240 -21.814 347 HD22 LEU 46 1HD2 LEU 46 12.485 2.004 -23.518 348 HD23 LEU 46 2HD2 LEU 46 12.728 3.581 -22.767 349 H GLY 47 H GLY 47 16.927 4.680 -21.520 350 HA2 GLY 47 2HA GLY 47 18.024 3.839 -23.939 351 HA3 GLY 47 3HA GLY 47 18.539 5.264 -23.048 352 H LYS 48 H LYS 48 19.663 4.198 -20.785 353 HA LYS 48 HA LYS 48 22.217 3.383 -21.574 354 HB2 LYS 48 2HB LYS 48 20.954 2.792 -18.885 355 HB3 LYS 48 3HB LYS 48 22.671 2.926 -19.237 356 HG2 LYS 48 2HG LYS 48 20.649 5.161 -19.343 357 HG3 LYS 48 3HG LYS 48 21.845 4.897 -18.079 358 HD2 LYS 48 2HD LYS 48 22.557 5.404 -20.971 359 HD3 LYS 48 3HD LYS 48 22.420 6.680 -19.763 360 HE2 LYS 48 2HE LYS 48 24.716 6.170 -19.888 361 HE3 LYS 48 3HE LYS 48 24.145 5.400 -18.411 362 HZ1 LYS 48 3HZ LYS 48 24.496 3.996 -21.002 363 HZ2 LYS 48 1HZ LYS 48 24.122 3.289 -19.513 364 HZ3 LYS 48 2HZ LYS 48 25.636 3.996 -19.757 365 H LEU 49 H LEU 49 19.436 1.434 -20.538 366 HA LEU 49 HA LEU 49 20.725 -1.083 -20.601 367 HB2 LEU 49 2HB LEU 49 18.566 -0.673 -19.478 368 HB3 LEU 49 3HB LEU 49 17.805 -0.421 -21.036 369 HG LEU 49 HG LEU 49 18.163 -2.756 -21.640 370 HD11 LEU 49 1HD1 LEU 49 19.111 -4.359 -20.068 371 HD12 LEU 49 2HD1 LEU 49 19.455 -3.059 -18.927 372 HD13 LEU 49 3HD1 LEU 49 20.289 -3.113 -20.480 373 HD21 LEU 49 3HD2 LEU 49 16.680 -3.806 -20.019 374 HD22 LEU 49 1HD2 LEU 49 16.136 -2.175 -20.407 375 HD23 LEU 49 2HD2 LEU 49 16.965 -2.488 -18.881 376 H TYR 50 H TYR 50 19.003 0.773 -23.092 377 HA TYR 50 HA TYR 50 19.191 -1.154 -25.150 378 HB2 TYR 50 2HB TYR 50 18.820 1.823 -25.122 379 HB3 TYR 50 3HB TYR 50 19.122 1.003 -26.648 380 HD1 TYR 50 HD1 TYR 50 17.620 -1.481 -26.367 381 HD2 TYR 50 HD2 TYR 50 16.568 2.470 -25.174 382 HE1 TYR 50 HE1 TYR 50 15.245 -2.050 -26.600 383 HE2 TYR 50 HE2 TYR 50 14.184 1.905 -25.399 384 HH TYR 50 HH TYR 50 12.786 0.288 -26.614 385 H GLU 51 H GLU 51 21.348 1.588 -24.352 386 HA GLU 51 HA GLU 51 23.324 1.205 -26.265 387 HB2 GLU 51 2HB GLU 51 23.756 1.995 -23.368 388 HB3 GLU 51 3HB GLU 51 24.871 2.295 -24.695 389 HG2 GLU 51 2HG GLU 51 23.286 3.817 -25.725 390 HG3 GLU 51 3HG GLU 51 22.096 3.463 -24.474 391 H ARG 52 H ARG 52 22.876 -0.421 -23.164 392 HA ARG 52 HA ARG 52 25.185 -2.041 -23.190 393 HB2 ARG 52 2HB ARG 52 23.961 -1.767 -21.149 394 HB3 ARG 52 3HB ARG 52 22.482 -2.376 -21.879 395 HG2 ARG 52 2HG ARG 52 23.492 -4.602 -22.069 396 HG3 ARG 52 3HG ARG 52 24.970 -3.992 -21.322 397 HD2 ARG 52 2HD ARG 52 23.778 -3.505 -19.272 398 HD3 ARG 52 3HD ARG 52 22.246 -3.961 -20.018 399 HE ARG 52 HE ARG 52 23.675 -6.205 -20.285 400 HH11 ARG 52 1HH1 ARG 52 23.144 -4.161 -17.567 401 HH12 ARG 52 2HH1 ARG 52 23.303 -5.450 -16.424 402 HH21 ARG 52 1HH2 ARG 52 23.836 -7.866 -18.824 403 HH22 ARG 52 2HH2 ARG 52 23.676 -7.535 -17.134 404 H LEU 53 H LEU 53 21.882 -2.669 -24.377 405 HA LEU 53 HA LEU 53 22.553 -5.340 -25.269 406 HB2 LEU 53 2HB LEU 53 20.061 -3.690 -25.728 407 HB3 LEU 53 3HB LEU 53 20.236 -5.397 -26.095 408 HG LEU 53 HG LEU 53 20.309 -4.154 -23.336 409 HD11 LEU 53 1HD1 LEU 53 18.250 -5.909 -24.676 410 HD12 LEU 53 2HD1 LEU 53 18.072 -4.200 -24.277 411 HD13 LEU 53 3HD1 LEU 53 18.219 -5.394 -22.989 412 HD21 LEU 53 3HD2 LEU 53 20.391 -6.453 -22.496 413 HD22 LEU 53 1HD2 LEU 53 21.813 -6.074 -23.467 414 HD23 LEU 53 2HD2 LEU 53 20.518 -7.058 -24.149 415 H ASP 54 H ASP 54 23.728 -2.728 -26.497 416 HA ASP 54 HA ASP 54 24.627 -2.141 -28.496 417 HB2 ASP 54 2HB ASP 54 24.991 -4.623 -28.696 418 HB3 ASP 54 3HB ASP 54 23.478 -4.725 -29.584 419 H ARG 55 H ARG 55 21.573 -1.944 -27.787 420 HA ARG 55 HA ARG 55 20.423 -1.405 -30.413 421 HB2 ARG 55 2HB ARG 55 19.233 -1.106 -27.641 422 HB3 ARG 55 3HB ARG 55 18.351 -0.957 -29.155 423 HG2 ARG 55 2HG ARG 55 19.728 -3.462 -28.186 424 HG3 ARG 55 3HG ARG 55 18.001 -3.127 -28.053 425 HD2 ARG 55 2HD ARG 55 19.593 -3.415 -30.604 426 HD3 ARG 55 3HD ARG 55 18.417 -4.560 -29.959 427 HE ARG 55 HE ARG 55 17.676 -1.834 -30.814 428 HH11 ARG 55 1HH1 ARG 55 17.088 -5.243 -30.802 429 HH12 ARG 55 2HH1 ARG 55 15.612 -5.079 -31.693 430 HH21 ARG 55 1HH2 ARG 55 15.807 -1.654 -31.934 431 HH22 ARG 55 2HH2 ARG 55 14.896 -3.076 -32.329 432 H THR 56 H THR 56 22.366 0.278 -30.417 433 HA THR 56 HA THR 56 22.299 2.647 -28.948 434 HB THR 56 HB THR 56 23.219 2.358 -31.824 435 HG1 THR 56 HG1 THR 56 25.323 2.184 -30.536 436 HG21 THR 56 3HG2 THR 56 24.025 4.344 -29.685 437 HG22 THR 56 1HG2 THR 56 23.032 4.701 -31.099 438 HG23 THR 56 2HG2 THR 56 24.719 4.230 -31.302 439 H ASP 57 H ASP 57 20.708 1.917 -32.054 440 HA ASP 57 HA ASP 57 19.691 4.487 -32.561 441 HB2 ASP 57 2HB ASP 57 18.585 1.790 -33.390 442 HB3 ASP 57 3HB ASP 57 18.078 3.336 -34.066 443 H ASP 58 H ASP 58 18.075 1.700 -31.004 444 HA ASP 58 HA ASP 58 15.674 2.955 -30.328 445 HB2 ASP 58 2HB ASP 58 17.170 0.783 -28.838 446 HB3 ASP 58 3HB ASP 58 15.486 1.219 -28.560 447 H ALA 59 H ALA 59 18.741 2.823 -28.529 448 HA ALA 59 HA ALA 59 17.943 4.133 -26.191 449 HB1 ALA 59 3HB ALA 59 20.298 4.656 -25.854 450 HB2 ALA 59 1HB ALA 59 20.639 4.298 -27.548 451 HB3 ALA 59 2HB ALA 59 20.118 3.011 -26.463 452 H ILE 60 H ILE 60 19.499 5.564 -29.077 453 HA ILE 60 HA ILE 60 19.364 8.245 -28.335 454 HB ILE 60 HB ILE 60 19.170 7.079 -31.125 455 HG12 ILE 60 2HG1 ILE 60 21.574 8.053 -29.552 456 HG13 ILE 60 3HG1 ILE 60 21.184 6.370 -29.886 457 HG21 ILE 60 1HG2 ILE 60 18.434 9.397 -31.116 458 HG22 ILE 60 2HG2 ILE 60 20.011 9.263 -31.894 459 HG23 ILE 60 3HG2 ILE 60 19.890 9.881 -30.246 460 HD11 ILE 60 3HD1 ILE 60 21.475 6.780 -32.276 461 HD12 ILE 60 1HD1 ILE 60 22.929 7.172 -31.360 462 HD13 ILE 60 2HD1 ILE 60 21.877 8.464 -31.937 463 H ASP 61 H ASP 61 16.957 6.293 -30.085 464 HA ASP 61 HA ASP 61 15.084 8.334 -30.581 465 HB2 ASP 61 2HB ASP 61 15.102 6.037 -31.611 466 HB3 ASP 61 3HB ASP 61 14.480 5.408 -30.089 467 H THR 62 H THR 62 15.307 6.010 -27.888 468 HA THR 62 HA THR 62 13.087 6.826 -26.403 469 HB THR 62 HB THR 62 15.728 5.764 -25.346 470 HG1 THR 62 HG1 THR 62 14.829 4.248 -26.698 471 HG21 THR 62 3HG2 THR 62 14.425 5.029 -23.389 472 HG22 THR 62 1HG2 THR 62 13.002 5.852 -24.028 473 HG23 THR 62 2HG2 THR 62 14.420 6.786 -23.547 474 H TYR 63 H TYR 63 16.445 8.041 -26.284 475 HA TYR 63 HA TYR 63 16.034 10.008 -24.295 476 HB2 TYR 63 2HB TYR 63 18.003 10.046 -26.601 477 HB3 TYR 63 3HB TYR 63 18.069 11.090 -25.186 478 HD1 TYR 63 HD2 TYR 63 17.598 9.251 -22.956 479 HD2 TYR 63 HD1 TYR 63 19.862 8.671 -26.519 480 HE1 TYR 63 HE2 TYR 63 18.996 7.591 -21.795 481 HE2 TYR 63 HE1 TYR 63 21.261 7.016 -25.366 482 HH TYR 63 HH TYR 63 21.886 6.291 -23.263 483 H ALA 64 H ALA 64 15.714 10.105 -27.823 484 HA ALA 64 HA ALA 64 15.305 12.854 -28.151 485 HB1 ALA 64 3HB ALA 64 15.790 11.325 -30.001 486 HB2 ALA 64 1HB ALA 64 14.359 12.303 -30.323 487 HB3 ALA 64 2HB ALA 64 14.185 10.616 -29.835 488 H GLN 65 H GLN 65 12.801 10.284 -27.941 489 HA GLN 65 HA GLN 65 10.593 12.053 -27.786 490 HB2 GLN 65 2HB GLN 65 10.581 9.526 -28.239 491 HB3 GLN 65 3HB GLN 65 10.735 9.309 -26.503 492 HG2 GLN 65 2HG GLN 65 8.469 10.824 -27.795 493 HG3 GLN 65 3HG GLN 65 8.412 9.100 -27.447 494 HE21 GLN 65 1HE2 GLN 65 9.859 9.360 -24.934 495 HE22 GLN 65 2HE2 GLN 65 8.753 10.073 -23.819 496 H GLY 66 H GLY 66 12.670 10.574 -25.336 497 HA2 GLY 66 2HA GLY 66 11.412 11.462 -23.011 498 HA3 GLY 66 3HA GLY 66 13.136 11.165 -23.172 499 H ILE 67 H ILE 67 13.694 13.173 -25.116 500 HA ILE 67 HA ILE 67 14.298 15.397 -23.601 501 HB ILE 67 HB ILE 67 13.941 15.022 -26.564 502 HG12 ILE 67 2HG1 ILE 67 16.356 15.565 -24.813 503 HG13 ILE 67 3HG1 ILE 67 15.897 14.008 -25.488 504 HG21 ILE 67 1HG2 ILE 67 14.846 17.599 -25.283 505 HG22 ILE 67 2HG2 ILE 67 13.312 17.354 -26.112 506 HG23 ILE 67 3HG2 ILE 67 14.826 17.240 -27.008 507 HD11 ILE 67 3HD1 ILE 67 17.728 15.050 -26.716 508 HD12 ILE 67 1HD1 ILE 67 16.694 16.428 -27.088 509 HD13 ILE 67 2HD1 ILE 67 16.301 14.832 -27.729 510 H GLU 68 H GLU 68 11.423 14.893 -25.624 511 HA GLU 68 HA GLU 68 10.329 17.483 -25.289 512 HB2 GLU 68 2HB GLU 68 8.856 14.905 -25.881 513 HB3 GLU 68 3HB GLU 68 8.282 16.537 -26.206 514 HG2 GLU 68 2HG GLU 68 10.648 15.185 -27.500 515 HG3 GLU 68 3HG GLU 68 9.074 15.469 -28.237 516 H VAL 69 H VAL 69 9.398 14.383 -23.755 517 HA VAL 69 HA VAL 69 7.569 15.602 -21.941 518 HB VAL 69 HB VAL 69 7.568 13.405 -20.759 519 HG11 VAL 69 1HG1 VAL 69 6.067 13.804 -22.643 520 HG12 VAL 69 2HG1 VAL 69 6.606 12.125 -22.626 521 HG13 VAL 69 3HG1 VAL 69 7.311 13.267 -23.770 522 HG21 VAL 69 3HG2 VAL 69 9.919 12.794 -21.107 523 HG22 VAL 69 1HG2 VAL 69 9.629 12.638 -22.841 524 HG23 VAL 69 2HG2 VAL 69 8.843 11.533 -21.710 525 H ALA 70 H ALA 70 10.999 15.104 -21.811 526 HA ALA 70 HA ALA 70 11.391 15.145 -19.018 527 HB1 ALA 70 3HB ALA 70 13.141 14.467 -20.602 528 HB2 ALA 70 1HB ALA 70 13.701 15.723 -19.499 529 HB3 ALA 70 2HB ALA 70 13.274 16.135 -21.160 530 H ARG 71 H ARG 71 11.530 17.803 -21.399 531 HA ARG 71 HA ARG 71 11.927 19.783 -19.342 532 HB2 ARG 71 2HB ARG 71 11.669 21.406 -21.257 533 HB3 ARG 71 3HB ARG 71 12.963 20.228 -21.425 534 HG2 ARG 71 2HG ARG 71 11.523 18.877 -22.894 535 HG3 ARG 71 3HG ARG 71 10.260 20.101 -22.756 536 HD2 ARG 71 2HD ARG 71 11.612 21.734 -23.857 537 HD3 ARG 71 3HD ARG 71 13.032 20.688 -23.789 538 HE ARG 71 HE ARG 71 11.541 19.169 -25.257 539 HH11 ARG 71 1HH1 ARG 71 11.738 22.605 -25.420 540 HH12 ARG 71 2HH1 ARG 71 11.308 22.657 -27.095 541 HH21 ARG 71 1HH2 ARG 71 11.006 19.260 -27.431 542 HH22 ARG 71 2HH2 ARG 71 10.883 20.806 -28.203 543 H GLU 72 H GLU 72 9.144 18.706 -21.273 544 HA GLU 72 HA GLU 72 7.495 20.891 -20.377 545 HB2 GLU 72 2HB GLU 72 6.744 18.375 -21.885 546 HB3 GLU 72 3HB GLU 72 5.683 19.756 -21.618 547 HG2 GLU 72 2HG GLU 72 7.305 21.184 -22.843 548 HG3 GLU 72 3HG GLU 72 8.259 19.746 -23.190 549 H GLU 73 H GLU 73 7.740 17.435 -19.512 550 HA GLU 73 HA GLU 73 5.734 17.824 -17.409 551 HB2 GLU 73 2HB GLU 73 7.191 15.338 -18.329 552 HB3 GLU 73 3HB GLU 73 6.027 15.367 -17.013 553 HG2 GLU 73 2HG GLU 73 5.444 16.086 -19.884 554 HG3 GLU 73 3HG GLU 73 5.052 14.552 -19.108 555 H GLY 74 H GLY 74 9.151 16.757 -17.652 556 HA2 GLY 74 2HA GLY 74 9.467 16.762 -14.767 557 HA3 GLY 74 3HA GLY 74 10.713 16.419 -15.953 558 H THR 75 H THR 75 12.129 18.022 -16.548 559 HA THR 75 HA THR 75 11.654 20.791 -16.332 560 HB THR 75 HB THR 75 11.781 20.435 -13.906 561 HG1 THR 75 HG1 THR 75 13.706 21.890 -13.593 562 HG21 THR 75 3HG2 THR 75 13.217 18.457 -13.848 563 HG22 THR 75 1HG2 THR 75 13.896 19.744 -12.850 564 HG23 THR 75 2HG2 THR 75 14.579 19.409 -14.442 565 H GLN 76 H GLN 76 13.884 22.028 -16.304 566 HA GLN 76 HA GLN 76 15.247 21.434 -18.644 567 HB2 GLN 76 2HB GLN 76 15.307 23.652 -17.796 568 HB3 GLN 76 3HB GLN 76 15.964 23.136 -16.254 569 HG2 GLN 76 2HG GLN 76 17.678 24.260 -17.464 570 HG3 GLN 76 3HG GLN 76 18.085 22.549 -17.403 571 HE21 GLN 76 1HE2 GLN 76 18.966 24.633 -19.243 572 HE22 GLN 76 2HE2 GLN 76 18.548 24.076 -20.822 573 H LYS 77 H LYS 77 16.172 20.565 -15.303 574 HA LYS 77 HA LYS 77 18.747 19.602 -15.741 575 HB2 LYS 77 2HB LYS 77 17.827 19.797 -13.498 576 HB3 LYS 77 3HB LYS 77 16.625 18.560 -13.846 577 HG2 LYS 77 2HG LYS 77 18.622 16.990 -14.245 578 HG3 LYS 77 3HG LYS 77 19.589 18.236 -13.452 579 HD2 LYS 77 2HD LYS 77 18.933 16.581 -11.820 580 HD3 LYS 77 3HD LYS 77 18.082 18.091 -11.482 581 HE2 LYS 77 2HE LYS 77 16.539 16.253 -11.249 582 HE3 LYS 77 3HE LYS 77 16.102 17.183 -12.681 583 HZ1 LYS 77 3HZ LYS 77 17.491 14.566 -12.584 584 HZ2 LYS 77 1HZ LYS 77 17.377 15.491 -13.993 585 HZ3 LYS 77 2HZ LYS 77 15.975 14.904 -13.254 586 H ASP 78 H ASP 78 15.698 17.745 -15.863 587 HA ASP 78 HA ASP 78 16.900 15.296 -16.615 588 HB2 ASP 78 2HB ASP 78 14.044 16.244 -16.980 589 HB3 ASP 78 3HB ASP 78 14.593 14.574 -17.118 590 H LEU 79 H LEU 79 15.546 17.966 -18.456 591 HA LEU 79 HA LEU 79 15.687 16.897 -21.037 592 HB2 LEU 79 2HB LEU 79 14.600 19.014 -20.586 593 HB3 LEU 79 3HB LEU 79 16.109 19.724 -20.049 594 HG LEU 79 HG LEU 79 16.999 19.528 -22.359 595 HD11 LEU 79 1HD1 LEU 79 15.663 17.643 -23.108 596 HD12 LEU 79 2HD1 LEU 79 15.477 19.022 -24.191 597 HD13 LEU 79 3HD1 LEU 79 14.203 18.632 -23.034 598 HD21 LEU 79 3HD2 LEU 79 14.393 21.038 -22.141 599 HD22 LEU 79 1HD2 LEU 79 15.659 21.327 -23.335 600 HD23 LEU 79 2HD2 LEU 79 15.976 21.617 -21.626 601 H SER 80 H SER 80 18.147 18.750 -19.232 602 HA SER 80 HA SER 80 20.144 18.717 -21.209 603 HB2 SER 80 2HB SER 80 20.192 20.245 -19.269 604 HB3 SER 80 3HB SER 80 20.506 18.876 -18.202 605 HG SER 80 HG SER 80 22.528 19.260 -18.627 606 H GLU 81 H GLU 81 19.504 16.462 -18.537 607 HA GLU 81 HA GLU 81 21.781 14.841 -18.846 608 HB2 GLU 81 2HB GLU 81 19.022 14.072 -17.860 609 HB3 GLU 81 3HB GLU 81 20.476 13.105 -17.649 610 HG2 GLU 81 2HG GLU 81 21.470 14.837 -16.274 611 HG3 GLU 81 3HG GLU 81 20.073 15.878 -16.535 612 H LEU 82 H LEU 82 18.561 14.588 -20.358 613 HA LEU 82 HA LEU 82 19.144 12.176 -21.772 614 HB2 LEU 82 2HB LEU 82 17.001 14.257 -22.200 615 HB3 LEU 82 3HB LEU 82 17.082 12.736 -23.075 616 HG LEU 82 HG LEU 82 16.716 13.037 -20.085 617 HD11 LEU 82 1HD1 LEU 82 14.789 12.164 -22.234 618 HD12 LEU 82 2HD1 LEU 82 14.734 13.679 -21.333 619 HD13 LEU 82 3HD1 LEU 82 14.476 12.148 -20.498 620 HD21 LEU 82 3HD2 LEU 82 17.983 11.024 -20.619 621 HD22 LEU 82 1HD2 LEU 82 16.763 10.551 -21.803 622 HD23 LEU 82 2HD2 LEU 82 16.354 10.611 -20.089 623 H GLN 83 H GLN 83 19.288 15.613 -22.678 624 HA GLN 83 HA GLN 83 20.011 15.275 -25.371 625 HB2 GLN 83 2HB GLN 83 20.803 17.442 -23.409 626 HB3 GLN 83 3HB GLN 83 21.119 17.519 -25.139 627 HG2 GLN 83 2HG GLN 83 18.727 17.456 -25.600 628 HG3 GLN 83 3HG GLN 83 18.384 17.334 -23.876 629 HE21 GLN 83 1HE2 GLN 83 20.507 19.232 -23.167 630 HE22 GLN 83 2HE2 GLN 83 19.908 20.786 -23.607 631 H ASP 84 H ASP 84 22.059 15.513 -22.470 632 HA ASP 84 HA ASP 84 24.548 15.112 -23.698 633 HB2 ASP 84 2HB ASP 84 24.297 15.889 -21.382 634 HB3 ASP 84 3HB ASP 84 23.625 14.330 -20.914 635 H ALA 85 H ALA 85 22.172 12.801 -22.465 636 HA ALA 85 HA ALA 85 23.667 10.453 -22.725 637 HB1 ALA 85 3HB ALA 85 21.551 9.276 -22.608 638 HB2 ALA 85 1HB ALA 85 20.678 10.765 -22.976 639 HB3 ALA 85 2HB ALA 85 21.573 10.618 -21.465 640 H LYS 86 H LYS 86 21.336 11.862 -25.080 641 HA LYS 86 HA LYS 86 21.907 9.869 -27.047 642 HB2 LYS 86 2HB LYS 86 20.597 11.174 -28.587 643 HB3 LYS 86 3HB LYS 86 19.790 11.168 -27.028 644 HG2 LYS 86 2HG LYS 86 20.536 13.424 -26.580 645 HG3 LYS 86 3HG LYS 86 21.491 13.435 -28.065 646 HD2 LYS 86 2HD LYS 86 18.477 13.228 -27.871 647 HD3 LYS 86 3HD LYS 86 19.396 14.641 -28.394 648 HE2 LYS 86 2HE LYS 86 20.283 13.322 -30.291 649 HE3 LYS 86 3HE LYS 86 19.290 11.958 -29.782 650 HZ1 LYS 86 3HZ LYS 86 18.165 13.096 -31.519 651 HZ2 LYS 86 1HZ LYS 86 18.342 14.593 -30.755 652 HZ3 LYS 86 2HZ LYS 86 17.325 13.424 -30.089 653 H LEU 87 H LEU 87 23.283 13.005 -26.294 654 HA LEU 87 HA LEU 87 24.784 13.452 -28.617 655 HB2 LEU 87 2HB LEU 87 24.454 15.118 -26.834 656 HB3 LEU 87 3HB LEU 87 25.468 14.174 -25.759 657 HG LEU 87 HG LEU 87 27.398 14.564 -27.276 658 HD11 LEU 87 1HD1 LEU 87 27.229 16.266 -29.027 659 HD12 LEU 87 2HD1 LEU 87 25.490 16.382 -28.752 660 HD13 LEU 87 3HD1 LEU 87 26.189 14.883 -29.368 661 HD21 LEU 87 3HD2 LEU 87 26.028 17.090 -26.341 662 HD22 LEU 87 1HD2 LEU 87 27.751 16.896 -26.669 663 HD23 LEU 87 2HD2 LEU 87 27.002 16.015 -25.338 664 H LYS 88 H LYS 88 25.719 11.732 -25.619 665 HA LYS 88 HA LYS 88 28.272 10.928 -26.613 666 HB2 LYS 88 2HB LYS 88 28.421 9.519 -24.653 667 HB3 LYS 88 3HB LYS 88 27.729 11.067 -24.190 668 HG2 LYS 88 2HG LYS 88 25.483 10.051 -24.233 669 HG3 LYS 88 3HG LYS 88 26.214 8.496 -24.627 670 HD2 LYS 88 2HD LYS 88 27.488 8.600 -22.493 671 HD3 LYS 88 3HD LYS 88 26.646 10.103 -22.102 672 HE2 LYS 88 2HE LYS 88 25.573 8.238 -20.978 673 HE3 LYS 88 3HE LYS 88 24.493 8.897 -22.206 674 HZ1 LYS 88 3HZ LYS 88 24.516 6.476 -22.243 675 HZ2 LYS 88 1HZ LYS 88 26.182 6.471 -22.517 676 HZ3 LYS 88 2HZ LYS 88 25.125 7.092 -23.687 677 H ALA 89 H ALA 89 25.054 9.489 -26.694 678 HA ALA 89 HA ALA 89 25.714 6.880 -27.489 679 HB1 ALA 89 3HB ALA 89 23.266 8.496 -28.204 680 HB2 ALA 89 1HB ALA 89 23.478 7.517 -26.754 681 HB3 ALA 89 2HB ALA 89 23.419 6.743 -28.339 682 H GLU 90 H GLU 90 25.147 9.795 -29.426 683 HA GLU 90 HA GLU 90 25.422 8.664 -31.986 684 HB2 GLU 90 2HB GLU 90 26.053 11.466 -31.018 685 HB3 GLU 90 3HB GLU 90 25.932 11.000 -32.710 686 HG2 GLU 90 2HG GLU 90 23.620 10.447 -30.912 687 HG3 GLU 90 3HG GLU 90 23.914 12.105 -31.426 688 H GLY 91 H GLY 91 27.775 9.039 -29.563 689 HA2 GLY 91 2HA GLY 91 29.971 8.882 -31.548 690 HA3 GLY 91 3HA GLY 91 30.138 9.601 -29.956 691 H LEU 92 H LEU 92 28.256 6.765 -29.840 692 HA LEU 92 HA LEU 92 30.212 5.326 -28.358 693 HB2 LEU 92 2HB LEU 92 27.617 4.403 -29.609 694 HB3 LEU 92 3HB LEU 92 28.603 3.401 -28.558 695 HG LEU 92 HG LEU 92 27.232 5.982 -27.774 696 HD11 LEU 92 1HD1 LEU 92 26.646 3.124 -26.998 697 HD12 LEU 92 2HD1 LEU 92 25.677 4.126 -28.079 698 HD13 LEU 92 3HD1 LEU 92 25.826 4.557 -26.375 699 HD21 LEU 92 3HD2 LEU 92 29.335 5.718 -26.571 700 HD22 LEU 92 1HD2 LEU 92 28.882 4.075 -26.108 701 HD23 LEU 92 2HD2 LEU 92 27.964 5.451 -25.496 702 H GLU 93 H GLU 93 28.880 4.794 -31.618 703 HA GLU 93 HA GLU 93 31.362 3.366 -32.315 704 HB2 GLU 93 2HB GLU 93 29.862 2.014 -33.919 705 HB3 GLU 93 3HB GLU 93 29.827 1.612 -32.210 706 HG2 GLU 93 2HG GLU 93 27.595 1.553 -32.986 707 HG3 GLU 93 3HG GLU 93 27.757 3.009 -32.008 708 H HIS 94 H HIS 94 30.656 3.060 -35.125 709 HA HIS 94 HA HIS 94 31.113 5.881 -35.883 710 HB2 HIS 94 2HB HIS 94 32.332 3.384 -37.083 711 HB3 HIS 94 3HB HIS 94 32.638 5.032 -37.628 712 HD1 HIS 94 HD1 HIS 94 33.688 2.535 -35.139 713 HD2 HIS 94 HD2 HIS 94 34.113 6.627 -35.730 714 HE1 HIS 94 HE1 HIS 94 35.536 3.250 -33.599 715 HE2 HIS 94 HE2 HIS 94 35.641 5.750 -33.840 716 H HIS 95 H HIS 95 28.473 4.972 -35.963 717 HA HIS 95 HA HIS 95 27.628 3.927 -38.421 718 HB2 HIS 95 2HB HIS 95 25.412 4.998 -37.920 719 HB3 HIS 95 3HB HIS 95 26.059 3.997 -36.629 720 HD1 HIS 95 HD1 HIS 95 24.460 5.305 -35.013 721 HD2 HIS 95 HD2 HIS 95 27.461 7.608 -36.730 722 HE1 HIS 95 HE1 HIS 95 24.537 7.421 -33.665 723 HE2 HIS 95 HE2 HIS 95 26.255 8.854 -34.814 724 H HIS 96 H HIS 96 29.116 6.930 -37.959 725 HA HIS 96 HA HIS 96 27.768 8.526 -39.863 726 HB2 HIS 96 2HB HIS 96 29.390 9.392 -38.180 727 HB3 HIS 96 3HB HIS 96 30.696 8.652 -39.097 728 HD1 HIS 96 HD1 HIS 96 31.790 10.136 -40.762 729 HD2 HIS 96 HD2 HIS 96 27.969 11.453 -39.801 730 HE1 HIS 96 HE1 HIS 96 31.513 12.321 -41.960 731 HE2 HIS 96 HE2 HIS 96 29.170 13.062 -41.431 732 H HIS 97 H HIS 97 29.620 5.731 -40.334 733 HA HIS 97 HA HIS 97 29.310 5.930 -43.178 734 HB2 HIS 97 2HB HIS 97 31.551 5.958 -43.900 735 HB3 HIS 97 3HB HIS 97 31.505 7.182 -42.636 736 HD1 HIS 97 HD1 HIS 97 31.988 5.661 -40.110 737 HD2 HIS 97 HD2 HIS 97 33.907 4.678 -43.663 738 HE1 HIS 97 HE1 HIS 97 34.049 4.398 -39.435 739 HE2 HIS 97 HE2 HIS 97 35.245 3.908 -41.590 740 H HIS 98 H HIS 98 29.617 3.911 -44.246 741 HA HIS 98 HA HIS 98 30.422 1.622 -42.574 742 HB2 HIS 98 2HB HIS 98 28.593 0.254 -43.420 743 HB3 HIS 98 3HB HIS 98 27.939 1.692 -42.643 744 HD1 HIS 98 HD1 HIS 98 28.425 0.143 -46.050 745 HD2 HIS 98 HD2 HIS 98 26.459 3.358 -44.289 746 HE1 HIS 98 HE1 HIS 98 26.923 1.073 -47.829 747 HE2 HIS 98 HE2 HIS 98 25.617 2.889 -46.686 748 H HIS 99 H HIS 99 30.521 -0.423 -44.173 749 HA HIS 99 HA HIS 99 32.534 0.142 -46.086 750 HB2 HIS 99 2HB HIS 99 32.401 -2.029 -44.981 751 HB3 HIS 99 3HB HIS 99 30.842 -2.346 -45.734 752 HD1 HIS 99 HD1 HIS 99 30.850 -3.235 -48.110 753 HD2 HIS 99 HD2 HIS 99 34.632 -2.180 -46.759 754 HE1 HIS 99 HE1 HIS 99 32.443 -4.100 -49.841 755 HE2 HIS 99 HE2 HIS 99 34.707 -3.317 -49.082 Start of MODEL 3 1 H1 GLU 1 1H GLU 1 1.838 2.611 -3.123 2 H2 GLU 1 2H GLU 1 2.581 2.668 -4.641 3 H3 GLU 1 3H GLU 1 3.272 3.482 -3.334 4 HA GLU 1 HA GLU 1 4.503 1.480 -3.765 5 HB2 GLU 1 2HB GLU 1 2.812 1.239 -1.262 6 HB3 GLU 1 3HB GLU 1 4.374 0.472 -1.524 7 HG2 GLU 1 2HG GLU 1 5.421 2.692 -1.685 8 HG3 GLU 1 3HG GLU 1 3.854 3.439 -1.383 9 H ASP 2 H ASP 2 1.531 1.202 -4.783 10 HA ASP 2 HA ASP 2 1.302 -1.718 -4.601 11 HB2 ASP 2 2HB ASP 2 -0.620 0.317 -5.775 12 HB3 ASP 2 3HB ASP 2 -0.945 -1.395 -5.517 13 HA PRO 3 HA PRO 3 2.731 -2.553 -8.762 14 HB2 PRO 3 2HB PRO 3 0.104 -3.877 -9.282 15 HB3 PRO 3 3HB PRO 3 1.742 -4.507 -9.495 16 HG2 PRO 3 2HG PRO 3 0.254 -5.303 -7.440 17 HG3 PRO 3 3HG PRO 3 1.991 -4.995 -7.230 18 HD2 PRO 3 2HD PRO 3 -0.352 -3.300 -6.433 19 HD3 PRO 3 3HD PRO 3 1.175 -3.591 -5.573 20 H GLU 4 H GLU 4 -0.139 -0.798 -8.180 21 HA GLU 4 HA GLU 4 -0.805 -0.119 -10.882 22 HB2 GLU 4 2HB GLU 4 -1.559 1.259 -8.291 23 HB3 GLU 4 3HB GLU 4 -2.344 1.484 -9.849 24 HG2 GLU 4 2HG GLU 4 -2.248 -1.147 -8.379 25 HG3 GLU 4 3HG GLU 4 -3.568 0.011 -8.241 26 H ASP 5 H ASP 5 1.031 1.465 -8.278 27 HA ASP 5 HA ASP 5 1.305 3.987 -9.483 28 HB2 ASP 5 2HB ASP 5 3.213 2.636 -7.559 29 HB3 ASP 5 3HB ASP 5 3.147 4.360 -7.907 30 HA PRO 6 HA PRO 6 4.154 3.199 -12.857 31 HB2 PRO 6 2HB PRO 6 5.160 5.793 -12.979 32 HB3 PRO 6 3HB PRO 6 3.703 5.221 -13.799 33 HG2 PRO 6 2HG PRO 6 3.965 6.696 -11.207 34 HG3 PRO 6 3HG PRO 6 2.767 6.903 -12.500 35 HD2 PRO 6 2HD PRO 6 2.152 5.596 -10.247 36 HD3 PRO 6 3HD PRO 6 1.534 5.047 -11.819 37 H PHE 7 H PHE 7 5.123 4.794 -9.863 38 HA PHE 7 HA PHE 7 7.927 4.529 -10.228 39 HB2 PHE 7 2HB PHE 7 6.961 6.131 -8.636 40 HB3 PHE 7 3HB PHE 7 6.337 4.804 -7.662 41 HD1 PHE 7 HD1 PHE 7 9.524 6.209 -8.994 42 HD2 PHE 7 HD2 PHE 7 7.632 3.948 -5.915 43 HE1 PHE 7 HE1 PHE 7 11.635 6.159 -7.733 44 HE2 PHE 7 HE2 PHE 7 9.743 3.898 -4.652 45 HZ PHE 7 HZ PHE 7 11.748 5.005 -5.562 46 H THR 8 H THR 8 5.530 2.490 -8.534 47 HA THR 8 HA THR 8 7.306 0.631 -7.412 48 HB THR 8 HB THR 8 4.524 -0.020 -8.428 49 HG1 THR 8 HG1 THR 8 3.722 0.914 -6.646 50 HG21 THR 8 3HG2 THR 8 6.169 -1.188 -6.170 51 HG22 THR 8 1HG2 THR 8 5.817 -1.972 -7.711 52 HG23 THR 8 2HG2 THR 8 4.513 -1.639 -6.572 53 H ARG 9 H ARG 9 5.394 0.282 -10.398 54 HA ARG 9 HA ARG 9 6.598 -2.059 -11.346 55 HB2 ARG 9 2HB ARG 9 5.755 -1.188 -13.634 56 HB3 ARG 9 3HB ARG 9 4.573 -1.500 -12.370 57 HG2 ARG 9 2HG ARG 9 4.778 0.997 -11.822 58 HG3 ARG 9 3HG ARG 9 5.585 1.140 -13.378 59 HD2 ARG 9 2HD ARG 9 2.912 -0.210 -13.175 60 HD3 ARG 9 3HD ARG 9 3.021 1.548 -13.202 61 HE ARG 9 HE ARG 9 3.917 1.431 -15.389 62 HH11 ARG 9 1HH1 ARG 9 2.839 -1.618 -14.201 63 HH12 ARG 9 2HH1 ARG 9 2.710 -2.299 -15.784 64 HH21 ARG 9 1HH2 ARG 9 3.716 0.533 -17.400 65 HH22 ARG 9 2HH2 ARG 9 3.200 -1.110 -17.550 66 H TYR 10 H TYR 10 7.625 1.290 -11.665 67 HA TYR 10 HA TYR 10 9.733 0.868 -13.517 68 HB2 TYR 10 2HB TYR 10 8.844 3.090 -13.047 69 HB3 TYR 10 3HB TYR 10 9.369 2.975 -11.373 70 HD1 TYR 10 HD1 TYR 10 10.697 2.976 -14.862 71 HD2 TYR 10 HD2 TYR 10 11.465 3.825 -10.759 72 HE1 TYR 10 HE1 TYR 10 12.828 4.025 -15.482 73 HE2 TYR 10 HE2 TYR 10 13.599 4.874 -11.374 74 HH TYR 10 HH TYR 10 14.388 5.715 -14.536 75 H ALA 11 H ALA 11 9.634 0.864 -9.961 76 HA ALA 11 HA ALA 11 12.389 0.529 -9.502 77 HB1 ALA 11 3HB ALA 11 10.825 1.243 -7.761 78 HB2 ALA 11 1HB ALA 11 11.747 -0.170 -7.246 79 HB3 ALA 11 2HB ALA 11 10.073 -0.354 -7.771 80 H LEU 12 H LEU 12 9.779 -1.915 -9.638 81 HA LEU 12 HA LEU 12 11.351 -4.182 -9.200 82 HB2 LEU 12 2HB LEU 12 8.740 -3.725 -10.596 83 HB3 LEU 12 3HB LEU 12 9.494 -5.304 -10.689 84 HG LEU 12 HG LEU 12 7.817 -5.245 -8.916 85 HD11 LEU 12 1HD1 LEU 12 10.628 -5.395 -7.823 86 HD12 LEU 12 2HD1 LEU 12 9.752 -6.699 -8.629 87 HD13 LEU 12 3HD1 LEU 12 9.185 -6.085 -7.075 88 HD21 LEU 12 3HD2 LEU 12 8.105 -3.860 -6.926 89 HD22 LEU 12 1HD2 LEU 12 7.910 -2.865 -8.367 90 HD23 LEU 12 2HD2 LEU 12 9.509 -3.081 -7.655 91 H ALA 13 H ALA 13 10.744 -2.411 -12.203 92 HA ALA 13 HA ALA 13 11.938 -4.163 -14.023 93 HB1 ALA 13 3HB ALA 13 12.304 -2.205 -15.439 94 HB2 ALA 13 1HB ALA 13 12.002 -1.141 -14.064 95 HB3 ALA 13 2HB ALA 13 10.705 -2.156 -14.697 96 H GLN 14 H GLN 14 13.443 -1.569 -12.096 97 HA GLN 14 HA GLN 14 16.092 -2.043 -13.019 98 HB2 GLN 14 2HB GLN 14 15.237 -0.733 -10.427 99 HB3 GLN 14 3HB GLN 14 16.801 -0.573 -11.216 100 HG2 GLN 14 2HG GLN 14 15.652 0.486 -13.153 101 HG3 GLN 14 3HG GLN 14 14.149 0.438 -12.233 102 HE21 GLN 14 1HE2 GLN 14 15.544 2.748 -13.254 103 HE22 GLN 14 2HE2 GLN 14 15.917 3.736 -11.892 104 H GLU 15 H GLU 15 14.235 -3.289 -10.277 105 HA GLU 15 HA GLU 15 16.295 -4.610 -8.906 106 HB2 GLU 15 2HB GLU 15 13.398 -5.454 -9.202 107 HB3 GLU 15 3HB GLU 15 14.518 -6.079 -8.000 108 HG2 GLU 15 2HG GLU 15 13.561 -3.225 -8.218 109 HG3 GLU 15 3HG GLU 15 13.010 -4.418 -7.046 110 H HIS 16 H HIS 16 14.289 -5.690 -11.638 111 HA HIS 16 HA HIS 16 15.372 -8.274 -11.897 112 HB2 HIS 16 2HB HIS 16 14.118 -6.421 -13.925 113 HB3 HIS 16 3HB HIS 16 14.657 -8.043 -14.342 114 HD1 HIS 16 HD1 HIS 16 13.614 -9.807 -12.238 115 HD2 HIS 16 HD2 HIS 16 11.436 -6.522 -13.558 116 HE1 HIS 16 HE1 HIS 16 11.223 -10.322 -11.693 117 HE2 HIS 16 HE2 HIS 16 9.912 -8.390 -12.616 118 H LEU 17 H LEU 17 16.450 -5.169 -13.251 119 HA LEU 17 HA LEU 17 18.563 -6.090 -14.836 120 HB2 LEU 17 2HB LEU 17 18.332 -3.532 -13.241 121 HB3 LEU 17 3HB LEU 17 19.601 -3.840 -14.412 122 HG LEU 17 HG LEU 17 16.645 -3.701 -15.034 123 HD11 LEU 17 1HD1 LEU 17 17.178 -1.610 -16.163 124 HD12 LEU 17 2HD1 LEU 17 18.862 -1.747 -15.656 125 HD13 LEU 17 3HD1 LEU 17 17.594 -1.520 -14.452 126 HD21 LEU 17 3HD2 LEU 17 19.027 -4.009 -16.869 127 HD22 LEU 17 1HD2 LEU 17 17.351 -3.789 -17.378 128 HD23 LEU 17 2HD2 LEU 17 17.824 -5.247 -16.508 129 H LYS 18 H LYS 18 18.470 -5.409 -11.366 130 HA LYS 18 HA LYS 18 21.200 -5.799 -10.803 131 HB2 LYS 18 2HB LYS 18 18.781 -6.265 -9.045 132 HB3 LYS 18 3HB LYS 18 20.443 -6.192 -8.469 133 HG2 LYS 18 2HG LYS 18 20.630 -3.883 -9.174 134 HG3 LYS 18 3HG LYS 18 19.015 -3.938 -9.881 135 HD2 LYS 18 2HD LYS 18 18.059 -4.332 -7.649 136 HD3 LYS 18 3HD LYS 18 19.678 -4.268 -6.947 137 HE2 LYS 18 2HE LYS 18 19.925 -1.954 -7.655 138 HE3 LYS 18 3HE LYS 18 18.355 -2.009 -8.457 139 HZ1 LYS 18 3HZ LYS 18 18.829 -2.297 -5.542 140 HZ2 LYS 18 1HZ LYS 18 17.321 -2.390 -6.300 141 HZ3 LYS 18 2HZ LYS 18 18.186 -0.939 -6.314 142 H HIS 19 H HIS 19 18.566 -8.095 -11.195 143 HA HIS 19 HA HIS 19 20.311 -10.358 -10.537 144 HB2 HIS 19 2HB HIS 19 17.384 -10.215 -11.295 145 HB3 HIS 19 3HB HIS 19 18.244 -11.726 -11.024 146 HD1 HIS 19 HD1 HIS 19 18.431 -12.522 -8.657 147 HD2 HIS 19 HD2 HIS 19 17.151 -8.576 -8.908 148 HE1 HIS 19 HE1 HIS 19 17.753 -11.884 -6.328 149 HE2 HIS 19 HE2 HIS 19 17.090 -9.464 -6.479 150 H ASP 20 H ASP 20 20.101 -8.454 -13.101 151 HA ASP 20 HA ASP 20 20.847 -8.577 -15.227 152 HB2 ASP 20 2HB ASP 20 22.522 -10.162 -14.344 153 HB3 ASP 20 3HB ASP 20 21.415 -11.495 -14.651 154 H ASN 21 H ASN 21 18.025 -9.635 -14.279 155 HA ASN 21 HA ASN 21 17.120 -11.090 -16.593 156 HB2 ASN 21 2HB ASN 21 15.563 -9.608 -14.456 157 HB3 ASN 21 3HB ASN 21 14.833 -10.603 -15.712 158 HD21 ASN 21 1HD2 ASN 21 15.153 -12.845 -15.657 159 HD22 ASN 21 2HD2 ASN 21 15.640 -13.648 -14.209 160 H ALA 22 H ALA 22 18.376 -9.300 -17.882 161 HA ALA 22 HA ALA 22 17.398 -6.713 -18.213 162 HB1 ALA 22 3HB ALA 22 18.651 -6.659 -20.292 163 HB2 ALA 22 1HB ALA 22 18.760 -8.420 -20.298 164 HB3 ALA 22 2HB ALA 22 19.579 -7.489 -19.043 165 H SER 23 H SER 23 16.417 -9.703 -19.832 166 HA SER 23 HA SER 23 14.756 -8.588 -21.805 167 HB2 SER 23 2HB SER 23 14.543 -11.271 -20.408 168 HB3 SER 23 3HB SER 23 13.669 -10.829 -21.875 169 HG SER 23 HG SER 23 16.163 -10.268 -22.390 170 H ARG 24 H ARG 24 13.786 -9.972 -18.641 171 HA ARG 24 HA ARG 24 11.076 -9.214 -18.817 172 HB2 ARG 24 2HB ARG 24 12.760 -9.705 -16.348 173 HB3 ARG 24 3HB ARG 24 11.004 -9.618 -16.372 174 HG2 ARG 24 2HG ARG 24 12.705 -11.679 -17.773 175 HG3 ARG 24 3HG ARG 24 11.754 -11.927 -16.309 176 HD2 ARG 24 2HD ARG 24 9.702 -11.406 -17.590 177 HD3 ARG 24 3HD ARG 24 10.680 -11.241 -19.049 178 HE ARG 24 HE ARG 24 10.953 -13.778 -17.704 179 HH11 ARG 24 1HH1 ARG 24 9.257 -11.997 -20.120 180 HH12 ARG 24 2HH1 ARG 24 8.704 -13.419 -20.929 181 HH21 ARG 24 1HH2 ARG 24 10.218 -15.591 -18.747 182 HH22 ARG 24 2HH2 ARG 24 9.227 -15.421 -20.154 183 H ALA 25 H ALA 25 13.894 -7.515 -17.545 184 HA ALA 25 HA ALA 25 12.518 -5.316 -16.396 185 HB1 ALA 25 3HB ALA 25 15.328 -5.412 -17.506 186 HB2 ALA 25 1HB ALA 25 14.852 -5.862 -15.869 187 HB3 ALA 25 2HB ALA 25 14.679 -4.191 -16.408 188 H LEU 26 H LEU 26 14.033 -5.764 -19.580 189 HA LEU 26 HA LEU 26 13.528 -3.273 -20.699 190 HB2 LEU 26 2HB LEU 26 14.950 -4.981 -21.741 191 HB3 LEU 26 3HB LEU 26 13.542 -5.977 -22.059 192 HG LEU 26 HG LEU 26 12.679 -4.277 -23.619 193 HD11 LEU 26 1HD1 LEU 26 13.643 -2.286 -22.582 194 HD12 LEU 26 2HD1 LEU 26 14.065 -2.383 -24.292 195 HD13 LEU 26 3HD1 LEU 26 15.258 -2.809 -23.063 196 HD21 LEU 26 3HD2 LEU 26 14.081 -6.075 -24.477 197 HD22 LEU 26 1HD2 LEU 26 15.526 -5.108 -24.179 198 HD23 LEU 26 2HD2 LEU 26 14.348 -4.588 -25.386 199 H ALA 27 H ALA 27 11.481 -6.184 -20.731 200 HA ALA 27 HA ALA 27 9.297 -5.240 -22.153 201 HB1 ALA 27 3HB ALA 27 7.984 -6.917 -20.957 202 HB2 ALA 27 1HB ALA 27 9.254 -7.063 -19.742 203 HB3 ALA 27 2HB ALA 27 9.563 -7.562 -21.405 204 H LEU 28 H LEU 28 9.977 -4.863 -18.673 205 HA LEU 28 HA LEU 28 7.577 -3.485 -18.059 206 HB2 LEU 28 2HB LEU 28 10.240 -3.585 -16.642 207 HB3 LEU 28 3HB LEU 28 8.834 -2.761 -15.992 208 HG LEU 28 HG LEU 28 8.992 -5.720 -16.602 209 HD11 LEU 28 1HD1 LEU 28 10.373 -5.113 -14.685 210 HD12 LEU 28 2HD1 LEU 28 8.951 -6.019 -14.176 211 HD13 LEU 28 3HD1 LEU 28 9.006 -4.270 -13.954 212 HD21 LEU 28 3HD2 LEU 28 6.837 -5.849 -15.443 213 HD22 LEU 28 1HD2 LEU 28 6.737 -4.846 -16.889 214 HD23 LEU 28 2HD2 LEU 28 6.810 -4.092 -15.295 215 H PHE 29 H PHE 29 10.886 -2.242 -18.699 216 HA PHE 29 HA PHE 29 10.287 0.482 -18.438 217 HB2 PHE 29 2HB PHE 29 12.369 -0.941 -20.097 218 HB3 PHE 29 3HB PHE 29 12.259 0.814 -20.031 219 HD1 PHE 29 HD2 PHE 29 12.289 1.864 -17.641 220 HD2 PHE 29 HD1 PHE 29 13.716 -2.047 -18.556 221 HE1 PHE 29 HE2 PHE 29 13.671 1.894 -15.607 222 HE2 PHE 29 HE1 PHE 29 15.099 -2.019 -16.521 223 HZ PHE 29 HZ PHE 29 15.078 -0.047 -15.043 224 H GLU 30 H GLU 30 10.171 -1.567 -21.360 225 HA GLU 30 HA GLU 30 9.287 0.417 -23.150 226 HB2 GLU 30 2HB GLU 30 8.787 -2.569 -23.158 227 HB3 GLU 30 3HB GLU 30 8.397 -1.507 -24.500 228 HG2 GLU 30 2HG GLU 30 10.812 -0.891 -24.626 229 HG3 GLU 30 3HG GLU 30 11.135 -2.115 -23.398 230 H GLU 31 H GLU 31 7.464 -1.828 -21.084 231 HA GLU 31 HA GLU 31 4.873 -1.045 -21.843 232 HB2 GLU 31 2HB GLU 31 5.443 -3.079 -20.499 233 HB3 GLU 31 3HB GLU 31 5.761 -2.036 -19.118 234 HG2 GLU 31 2HG GLU 31 3.417 -1.273 -19.187 235 HG3 GLU 31 3HG GLU 31 3.117 -2.372 -20.532 236 H LEU 32 H LEU 32 7.114 0.304 -19.457 237 HA LEU 32 HA LEU 32 5.373 2.130 -18.218 238 HB2 LEU 32 2HB LEU 32 8.349 2.269 -18.702 239 HB3 LEU 32 3HB LEU 32 7.479 3.425 -17.710 240 HG LEU 32 HG LEU 32 7.600 0.454 -17.148 241 HD11 LEU 32 1HD1 LEU 32 9.156 2.714 -15.884 242 HD12 LEU 32 2HD1 LEU 32 9.812 1.452 -16.928 243 HD13 LEU 32 3HD1 LEU 32 9.153 1.031 -15.349 244 HD21 LEU 32 3HD2 LEU 32 6.602 2.768 -15.481 245 HD22 LEU 32 1HD2 LEU 32 6.717 1.089 -14.949 246 HD23 LEU 32 2HD2 LEU 32 5.608 1.530 -16.246 247 H VAL 33 H VAL 33 7.635 2.683 -20.939 248 HA VAL 33 HA VAL 33 7.063 5.364 -21.402 249 HB VAL 33 HB VAL 33 7.832 3.278 -23.462 250 HG11 VAL 33 1HG1 VAL 33 8.703 5.158 -24.775 251 HG12 VAL 33 2HG1 VAL 33 8.093 6.293 -23.569 252 HG13 VAL 33 3HG1 VAL 33 6.965 5.318 -24.514 253 HG21 VAL 33 3HG2 VAL 33 10.128 4.070 -23.075 254 HG22 VAL 33 1HG2 VAL 33 9.416 3.372 -21.620 255 HG23 VAL 33 2HG2 VAL 33 9.540 5.123 -21.788 256 H GLU 34 H GLU 34 5.526 2.525 -22.949 257 HA GLU 34 HA GLU 34 3.855 4.031 -24.666 258 HB2 GLU 34 2HB GLU 34 2.642 1.928 -25.043 259 HB3 GLU 34 3HB GLU 34 4.383 1.696 -25.121 260 HG2 GLU 34 2HG GLU 34 4.334 0.836 -22.802 261 HG3 GLU 34 3HG GLU 34 2.579 0.989 -22.810 262 H THR 35 H THR 35 3.374 2.883 -21.371 263 HA THR 35 HA THR 35 0.555 3.589 -21.339 264 HB THR 35 HB THR 35 0.606 2.947 -18.952 265 HG1 THR 35 HG1 THR 35 3.343 2.259 -19.362 266 HG21 THR 35 3HG2 THR 35 1.967 0.930 -20.753 267 HG22 THR 35 1HG2 THR 35 0.229 1.215 -20.656 268 HG23 THR 35 2HG2 THR 35 1.094 0.567 -19.264 269 H ASP 36 H ASP 36 3.584 4.995 -20.242 270 HA ASP 36 HA ASP 36 2.176 7.490 -19.626 271 HB2 ASP 36 2HB ASP 36 2.554 6.116 -17.503 272 HB3 ASP 36 3HB ASP 36 4.276 6.396 -17.744 273 HA PRO 37 HA PRO 37 5.867 8.393 -22.199 274 HB2 PRO 37 2HB PRO 37 4.313 10.704 -23.112 275 HB3 PRO 37 3HB PRO 37 4.928 9.338 -24.044 276 HG2 PRO 37 2HG PRO 37 2.285 9.706 -23.558 277 HG3 PRO 37 3HG PRO 37 3.012 8.097 -23.738 278 HD2 PRO 37 2HD PRO 37 2.264 9.569 -21.227 279 HD3 PRO 37 3HD PRO 37 2.028 7.856 -21.643 280 H ASP 38 H ASP 38 4.359 10.033 -19.650 281 HA ASP 38 HA ASP 38 5.913 12.477 -19.819 282 HB2 ASP 38 2HB ASP 38 4.082 11.529 -17.605 283 HB3 ASP 38 3HB ASP 38 4.665 13.171 -17.861 284 H TYR 39 H TYR 39 6.050 9.435 -18.082 285 HA TYR 39 HA TYR 39 7.729 10.311 -15.951 286 HB2 TYR 39 2HB TYR 39 6.230 8.207 -16.091 287 HB3 TYR 39 3HB TYR 39 7.584 7.464 -16.934 288 HD1 TYR 39 HD1 TYR 39 7.453 9.742 -13.965 289 HD2 TYR 39 HD2 TYR 39 8.552 5.919 -15.481 290 HE1 TYR 39 HE1 TYR 39 8.437 9.165 -11.787 291 HE2 TYR 39 HE2 TYR 39 9.538 5.337 -13.309 292 HH TYR 39 HH TYR 39 10.446 6.447 -11.336 293 H VAL 40 H VAL 40 9.421 11.463 -16.889 294 HA VAL 40 HA VAL 40 11.026 10.711 -19.030 295 HB VAL 40 HB VAL 40 11.885 12.402 -16.672 296 HG11 VAL 40 1HG1 VAL 40 13.391 13.486 -18.292 297 HG12 VAL 40 2HG1 VAL 40 12.889 12.327 -19.524 298 HG13 VAL 40 3HG1 VAL 40 13.760 11.772 -18.093 299 HG21 VAL 40 3HG2 VAL 40 9.772 13.206 -17.589 300 HG22 VAL 40 1HG2 VAL 40 10.460 13.211 -19.213 301 HG23 VAL 40 2HG2 VAL 40 11.081 14.318 -17.989 302 H GLY 41 H GLY 41 11.467 9.990 -15.584 303 HA2 GLY 41 2HA GLY 41 14.060 9.062 -15.518 304 HA3 GLY 41 3HA GLY 41 12.770 8.420 -14.518 305 H THR 42 H THR 42 11.240 7.372 -16.785 306 HA THR 42 HA THR 42 12.370 4.798 -17.038 307 HB THR 42 HB THR 42 10.253 6.080 -18.794 308 HG1 THR 42 HG1 THR 42 8.816 5.385 -17.316 309 HG21 THR 42 3HG2 THR 42 9.565 3.765 -19.274 310 HG22 THR 42 1HG2 THR 42 10.939 3.165 -18.345 311 HG23 THR 42 2HG2 THR 42 11.208 4.078 -19.830 312 H TYR 43 H TYR 43 12.225 7.512 -19.347 313 HA TYR 43 HA TYR 43 13.325 6.222 -21.568 314 HB2 TYR 43 2HB TYR 43 13.496 9.137 -20.765 315 HB3 TYR 43 3HB TYR 43 13.957 8.517 -22.347 316 HD1 TYR 43 HD1 TYR 43 12.267 7.742 -23.923 317 HD2 TYR 43 HD2 TYR 43 11.156 9.315 -20.128 318 HE1 TYR 43 HE1 TYR 43 9.958 8.004 -24.710 319 HE2 TYR 43 HE2 TYR 43 8.842 9.580 -20.909 320 HH TYR 43 HH TYR 43 7.600 9.770 -22.930 321 H TYR 44 H TYR 44 14.993 8.105 -19.047 322 HA TYR 44 HA TYR 44 17.548 8.018 -20.205 323 HB2 TYR 44 2HB TYR 44 16.914 9.588 -18.413 324 HB3 TYR 44 3HB TYR 44 16.833 8.250 -17.270 325 HD1 TYR 44 HD1 TYR 44 19.256 9.617 -19.778 326 HD2 TYR 44 HD2 TYR 44 18.674 8.008 -15.875 327 HE1 TYR 44 HE1 TYR 44 21.650 9.894 -19.314 328 HE2 TYR 44 HE2 TYR 44 21.072 8.284 -15.403 329 HH TYR 44 HH TYR 44 23.163 10.082 -17.471 330 H HIS 45 H HIS 45 16.124 5.903 -17.696 331 HA HIS 45 HA HIS 45 18.482 4.262 -17.547 332 HB2 HIS 45 2HB HIS 45 15.696 3.855 -16.439 333 HB3 HIS 45 3HB HIS 45 17.053 2.775 -16.119 334 HD1 HIS 45 HD1 HIS 45 18.126 3.267 -13.931 335 HD2 HIS 45 HD2 HIS 45 16.579 6.705 -15.687 336 HE1 HIS 45 HE1 HIS 45 18.608 5.125 -12.317 337 HE2 HIS 45 HE2 HIS 45 17.767 7.206 -13.449 338 H LEU 46 H LEU 46 15.494 4.121 -19.382 339 HA LEU 46 HA LEU 46 15.767 1.452 -20.321 340 HB2 LEU 46 2HB LEU 46 13.637 2.582 -20.471 341 HB3 LEU 46 3HB LEU 46 14.324 3.841 -21.481 342 HG LEU 46 HG LEU 46 14.633 2.248 -23.314 343 HD11 LEU 46 1HD1 LEU 46 13.377 0.212 -21.476 344 HD12 LEU 46 2HD1 LEU 46 15.059 0.233 -22.005 345 HD13 LEU 46 3HD1 LEU 46 13.769 -0.028 -23.178 346 HD21 LEU 46 3HD2 LEU 46 11.842 2.190 -22.155 347 HD22 LEU 46 1HD2 LEU 46 12.269 1.815 -23.826 348 HD23 LEU 46 2HD2 LEU 46 12.521 3.443 -23.198 349 H GLY 47 H GLY 47 16.822 4.585 -21.636 350 HA2 GLY 47 2HA GLY 47 17.965 3.692 -24.027 351 HA3 GLY 47 3HA GLY 47 18.495 5.103 -23.123 352 H LYS 48 H LYS 48 19.528 4.094 -20.840 353 HA LYS 48 HA LYS 48 22.040 3.070 -21.498 354 HB2 LYS 48 2HB LYS 48 20.569 2.852 -18.856 355 HB3 LYS 48 3HB LYS 48 22.294 2.596 -19.080 356 HG2 LYS 48 2HG LYS 48 20.795 5.184 -19.479 357 HG3 LYS 48 3HG LYS 48 21.899 4.791 -18.160 358 HD2 LYS 48 2HD LYS 48 23.733 4.558 -19.813 359 HD3 LYS 48 3HD LYS 48 22.615 5.048 -21.088 360 HE2 LYS 48 2HE LYS 48 23.921 6.958 -20.432 361 HE3 LYS 48 3HE LYS 48 22.263 7.196 -19.884 362 HZ1 LYS 48 3HZ LYS 48 22.975 6.438 -17.667 363 HZ2 LYS 48 1HZ LYS 48 23.792 7.835 -18.163 364 HZ3 LYS 48 2HZ LYS 48 24.566 6.334 -18.222 365 H LEU 49 H LEU 49 19.059 1.380 -20.653 366 HA LEU 49 HA LEU 49 20.163 -1.222 -20.461 367 HB2 LEU 49 2HB LEU 49 17.948 -0.678 -19.589 368 HB3 LEU 49 3HB LEU 49 17.366 -0.358 -21.210 369 HG LEU 49 HG LEU 49 17.559 -2.701 -21.813 370 HD11 LEU 49 1HD1 LEU 49 18.256 -4.400 -20.187 371 HD12 LEU 49 2HD1 LEU 49 18.668 -3.131 -19.032 372 HD13 LEU 49 3HD1 LEU 49 19.565 -3.273 -20.545 373 HD21 LEU 49 3HD2 LEU 49 15.905 -3.659 -20.285 374 HD22 LEU 49 1HD2 LEU 49 15.503 -1.997 -20.714 375 HD23 LEU 49 2HD2 LEU 49 16.204 -2.355 -19.136 376 H TYR 50 H TYR 50 18.635 0.491 -23.210 377 HA TYR 50 HA TYR 50 19.049 -1.506 -25.143 378 HB2 TYR 50 2HB TYR 50 18.844 1.496 -25.365 379 HB3 TYR 50 3HB TYR 50 19.114 0.488 -26.782 380 HD1 TYR 50 HD1 TYR 50 17.417 -1.739 -26.606 381 HD2 TYR 50 HD2 TYR 50 16.637 2.218 -25.231 382 HE1 TYR 50 HE1 TYR 50 15.003 -2.145 -26.823 383 HE2 TYR 50 HE2 TYR 50 14.221 1.815 -25.442 384 HH TYR 50 HH TYR 50 12.901 -1.292 -25.920 385 H GLU 51 H GLU 51 21.198 1.129 -24.079 386 HA GLU 51 HA GLU 51 23.360 0.636 -25.776 387 HB2 GLU 51 2HB GLU 51 23.344 1.603 -22.907 388 HB3 GLU 51 3HB GLU 51 24.775 1.602 -23.927 389 HG2 GLU 51 2HG GLU 51 23.586 3.108 -25.509 390 HG3 GLU 51 3HG GLU 51 22.243 3.178 -24.367 391 H ARG 52 H ARG 52 22.551 -0.895 -22.659 392 HA ARG 52 HA ARG 52 24.803 -2.597 -22.496 393 HB2 ARG 52 2HB ARG 52 23.118 -2.133 -20.653 394 HB3 ARG 52 3HB ARG 52 22.025 -3.247 -21.466 395 HG2 ARG 52 2HG ARG 52 23.781 -5.020 -21.227 396 HG3 ARG 52 3HG ARG 52 24.715 -3.885 -20.252 397 HD2 ARG 52 2HD ARG 52 22.650 -3.712 -18.760 398 HD3 ARG 52 3HD ARG 52 22.034 -5.119 -19.632 399 HE ARG 52 HE ARG 52 24.586 -5.143 -18.149 400 HH11 ARG 52 1HH1 ARG 52 21.603 -6.665 -18.992 401 HH12 ARG 52 2HH1 ARG 52 21.951 -8.081 -18.061 402 HH21 ARG 52 1HH2 ARG 52 24.993 -6.952 -16.962 403 HH22 ARG 52 2HH2 ARG 52 23.829 -8.237 -16.922 404 H LEU 53 H LEU 53 21.790 -2.838 -24.247 405 HA LEU 53 HA LEU 53 22.314 -5.560 -25.152 406 HB2 LEU 53 2HB LEU 53 20.119 -3.631 -25.936 407 HB3 LEU 53 3HB LEU 53 20.182 -5.337 -26.337 408 HG LEU 53 HG LEU 53 19.910 -4.203 -23.545 409 HD11 LEU 53 1HD1 LEU 53 17.634 -5.110 -23.636 410 HD12 LEU 53 2HD1 LEU 53 17.886 -5.569 -25.321 411 HD13 LEU 53 3HD1 LEU 53 17.893 -3.866 -24.860 412 HD21 LEU 53 3HD2 LEU 53 21.116 -6.310 -23.515 413 HD22 LEU 53 1HD2 LEU 53 19.877 -7.061 -24.524 414 HD23 LEU 53 2HD2 LEU 53 19.483 -6.537 -22.885 415 H ASP 54 H ASP 54 23.799 -2.868 -25.925 416 HA ASP 54 HA ASP 54 25.078 -2.178 -27.664 417 HB2 ASP 54 2HB ASP 54 25.473 -4.624 -27.975 418 HB3 ASP 54 3HB ASP 54 24.133 -4.661 -29.113 419 H ARG 55 H ARG 55 21.876 -2.094 -27.645 420 HA ARG 55 HA ARG 55 21.314 -1.404 -30.393 421 HB2 ARG 55 2HB ARG 55 19.562 -1.053 -27.949 422 HB3 ARG 55 3HB ARG 55 19.042 -0.980 -29.626 423 HG2 ARG 55 2HG ARG 55 20.136 -3.423 -28.231 424 HG3 ARG 55 3HG ARG 55 18.436 -3.103 -28.577 425 HD2 ARG 55 2HD ARG 55 20.635 -3.461 -30.622 426 HD3 ARG 55 3HD ARG 55 19.388 -4.641 -30.215 427 HE ARG 55 HE ARG 55 18.284 -2.141 -31.040 428 HH11 ARG 55 1HH1 ARG 55 19.648 -5.068 -32.223 429 HH12 ARG 55 2HH1 ARG 55 18.819 -4.977 -33.732 430 HH21 ARG 55 1HH2 ARG 55 17.237 -2.009 -32.950 431 HH22 ARG 55 2HH2 ARG 55 17.451 -3.249 -34.145 432 H THR 56 H THR 56 22.966 0.297 -30.509 433 HA THR 56 HA THR 56 22.933 2.647 -28.974 434 HB THR 56 HB THR 56 23.937 2.215 -31.800 435 HG1 THR 56 HG1 THR 56 25.565 1.336 -30.779 436 HG21 THR 56 3HG2 THR 56 25.270 4.265 -31.461 437 HG22 THR 56 1HG2 THR 56 24.432 4.550 -29.936 438 HG23 THR 56 2HG2 THR 56 23.540 4.603 -31.457 439 H ASP 57 H ASP 57 21.462 2.029 -32.176 440 HA ASP 57 HA ASP 57 20.445 4.652 -32.518 441 HB2 ASP 57 2HB ASP 57 20.817 3.082 -34.383 442 HB3 ASP 57 3HB ASP 57 19.525 2.053 -33.774 443 H ASP 58 H ASP 58 18.938 1.651 -31.330 444 HA ASP 58 HA ASP 58 16.354 2.693 -30.901 445 HB2 ASP 58 2HB ASP 58 17.759 0.438 -29.441 446 HB3 ASP 58 3HB ASP 58 16.026 0.748 -29.412 447 H ALA 59 H ALA 59 19.239 2.644 -28.846 448 HA ALA 59 HA ALA 59 18.073 3.764 -26.527 449 HB1 ALA 59 3HB ALA 59 20.923 4.060 -27.493 450 HB2 ALA 59 1HB ALA 59 20.300 2.696 -26.565 451 HB3 ALA 59 2HB ALA 59 20.340 4.305 -25.845 452 H ILE 60 H ILE 60 19.870 5.309 -29.196 453 HA ILE 60 HA ILE 60 19.657 7.967 -28.424 454 HB ILE 60 HB ILE 60 19.667 6.811 -31.223 455 HG12 ILE 60 2HG1 ILE 60 21.913 7.975 -29.546 456 HG13 ILE 60 3HG1 ILE 60 21.642 6.258 -29.826 457 HG21 ILE 60 1HG2 ILE 60 20.400 9.031 -31.982 458 HG22 ILE 60 2HG2 ILE 60 20.175 9.659 -30.350 459 HG23 ILE 60 3HG2 ILE 60 18.785 9.087 -31.272 460 HD11 ILE 60 3HD1 ILE 60 22.306 8.305 -31.931 461 HD12 ILE 60 1HD1 ILE 60 22.039 6.583 -32.211 462 HD13 ILE 60 2HD1 ILE 60 23.412 7.114 -31.242 463 H ASP 61 H ASP 61 17.365 6.044 -30.360 464 HA ASP 61 HA ASP 61 15.456 7.998 -30.907 465 HB2 ASP 61 2HB ASP 61 15.347 5.805 -31.928 466 HB3 ASP 61 3HB ASP 61 15.111 5.038 -30.361 467 H THR 62 H THR 62 15.518 5.723 -28.172 468 HA THR 62 HA THR 62 13.311 6.645 -26.766 469 HB THR 62 HB THR 62 15.878 5.538 -25.590 470 HG1 THR 62 HG1 THR 62 15.191 3.897 -26.805 471 HG21 THR 62 3HG2 THR 62 14.453 4.801 -23.726 472 HG22 THR 62 1HG2 THR 62 13.070 5.606 -24.460 473 HG23 THR 62 2HG2 THR 62 14.439 6.557 -23.881 474 H TYR 63 H TYR 63 16.691 7.773 -26.575 475 HA TYR 63 HA TYR 63 16.236 9.789 -24.628 476 HB2 TYR 63 2HB TYR 63 18.376 9.576 -26.764 477 HB3 TYR 63 3HB TYR 63 18.381 10.779 -25.479 478 HD1 TYR 63 HD2 TYR 63 17.815 9.451 -23.059 479 HD2 TYR 63 HD1 TYR 63 19.961 7.926 -26.406 480 HE1 TYR 63 HE2 TYR 63 19.000 7.887 -21.581 481 HE2 TYR 63 HE1 TYR 63 21.151 6.359 -24.933 482 HH TYR 63 HH TYR 63 21.688 5.967 -22.715 483 H ALA 64 H ALA 64 16.045 9.802 -28.164 484 HA ALA 64 HA ALA 64 15.903 12.587 -28.550 485 HB1 ALA 64 3HB ALA 64 14.768 10.397 -30.289 486 HB2 ALA 64 1HB ALA 64 16.420 11.015 -30.350 487 HB3 ALA 64 2HB ALA 64 15.069 12.064 -30.782 488 H GLN 65 H GLN 65 13.229 10.192 -28.511 489 HA GLN 65 HA GLN 65 11.171 12.154 -28.546 490 HB2 GLN 65 2HB GLN 65 11.028 9.641 -29.119 491 HB3 GLN 65 3HB GLN 65 10.883 9.373 -27.391 492 HG2 GLN 65 2HG GLN 65 9.021 11.211 -28.868 493 HG3 GLN 65 3HG GLN 65 8.742 9.476 -28.794 494 HE21 GLN 65 1HE2 GLN 65 9.704 9.186 -26.080 495 HE22 GLN 65 2HE2 GLN 65 8.498 9.881 -25.064 496 H GLY 66 H GLY 66 12.922 10.505 -25.967 497 HA2 GLY 66 2HA GLY 66 11.525 11.468 -23.739 498 HA3 GLY 66 3HA GLY 66 13.232 11.053 -23.761 499 H ILE 67 H ILE 67 14.097 13.003 -25.645 500 HA ILE 67 HA ILE 67 14.670 15.226 -24.112 501 HB ILE 67 HB ILE 67 14.589 14.797 -27.089 502 HG12 ILE 67 2HG1 ILE 67 16.856 15.333 -25.148 503 HG13 ILE 67 3HG1 ILE 67 16.400 13.756 -25.783 504 HG21 ILE 67 1HG2 ILE 67 15.387 17.387 -25.764 505 HG22 ILE 67 2HG2 ILE 67 14.009 17.141 -26.832 506 HG23 ILE 67 3HG2 ILE 67 15.649 16.980 -27.459 507 HD11 ILE 67 3HD1 ILE 67 18.360 14.677 -26.906 508 HD12 ILE 67 1HD1 ILE 67 17.411 16.070 -27.424 509 HD13 ILE 67 2HD1 ILE 67 17.011 14.458 -28.021 510 H GLU 68 H GLU 68 11.941 14.753 -26.313 511 HA GLU 68 HA GLU 68 10.952 17.403 -26.229 512 HB2 GLU 68 2HB GLU 68 9.366 14.869 -26.707 513 HB3 GLU 68 3HB GLU 68 8.952 16.493 -27.243 514 HG2 GLU 68 2HG GLU 68 11.308 14.861 -28.185 515 HG3 GLU 68 3HG GLU 68 9.812 15.136 -29.074 516 H VAL 69 H VAL 69 9.800 14.464 -24.541 517 HA VAL 69 HA VAL 69 7.910 15.915 -22.955 518 HB VAL 69 HB VAL 69 7.583 13.804 -21.725 519 HG11 VAL 69 1HG1 VAL 69 6.391 14.153 -23.820 520 HG12 VAL 69 2HG1 VAL 69 6.804 12.450 -23.624 521 HG13 VAL 69 3HG1 VAL 69 7.738 13.463 -24.726 522 HG21 VAL 69 3HG2 VAL 69 8.839 11.793 -22.355 523 HG22 VAL 69 1HG2 VAL 69 9.905 13.029 -21.686 524 HG23 VAL 69 2HG2 VAL 69 9.854 12.760 -23.429 525 H ALA 70 H ALA 70 11.274 15.150 -22.522 526 HA ALA 70 HA ALA 70 11.433 15.293 -19.704 527 HB1 ALA 70 3HB ALA 70 13.829 15.601 -20.014 528 HB2 ALA 70 1HB ALA 70 13.579 15.952 -21.725 529 HB3 ALA 70 2HB ALA 70 13.217 14.346 -21.092 530 H ARG 71 H ARG 71 12.108 17.786 -22.166 531 HA ARG 71 HA ARG 71 12.594 19.818 -20.223 532 HB2 ARG 71 2HB ARG 71 12.471 21.365 -22.221 533 HB3 ARG 71 3HB ARG 71 13.665 20.081 -22.305 534 HG2 ARG 71 2HG ARG 71 12.072 18.764 -23.693 535 HG3 ARG 71 3HG ARG 71 11.002 20.167 -23.706 536 HD2 ARG 71 2HD ARG 71 12.622 21.482 -24.871 537 HD3 ARG 71 3HD ARG 71 13.864 20.249 -24.660 538 HE ARG 71 HE ARG 71 12.373 18.829 -26.114 539 HH11 ARG 71 1HH1 ARG 71 12.436 22.255 -26.343 540 HH12 ARG 71 2HH1 ARG 71 12.019 22.270 -28.017 541 HH21 ARG 71 1HH2 ARG 71 11.833 18.845 -28.284 542 HH22 ARG 71 2HH2 ARG 71 11.650 20.357 -29.102 543 H GLU 72 H GLU 72 9.705 18.903 -22.088 544 HA GLU 72 HA GLU 72 8.243 21.245 -21.251 545 HB2 GLU 72 2HB GLU 72 7.271 18.699 -22.568 546 HB3 GLU 72 3HB GLU 72 6.298 20.144 -22.323 547 HG2 GLU 72 2HG GLU 72 7.934 21.404 -23.725 548 HG3 GLU 72 3HG GLU 72 8.747 19.876 -24.063 549 H GLU 73 H GLU 73 8.001 17.766 -20.400 550 HA GLU 73 HA GLU 73 6.046 18.428 -18.332 551 HB2 GLU 73 2HB GLU 73 7.054 15.730 -19.262 552 HB3 GLU 73 3HB GLU 73 5.739 15.996 -18.124 553 HG2 GLU 73 2HG GLU 73 5.791 16.790 -21.033 554 HG3 GLU 73 3HG GLU 73 4.847 15.489 -20.308 555 H GLY 74 H GLY 74 9.297 17.010 -18.561 556 HA2 GLY 74 2HA GLY 74 9.521 16.804 -15.660 557 HA3 GLY 74 3HA GLY 74 10.760 16.394 -16.838 558 H THR 75 H THR 75 12.493 17.690 -16.821 559 HA THR 75 HA THR 75 12.189 20.567 -16.625 560 HB THR 75 HB THR 75 12.335 19.980 -14.247 561 HG1 THR 75 HG1 THR 75 14.246 21.272 -13.794 562 HG21 THR 75 3HG2 THR 75 14.386 18.989 -13.321 563 HG22 THR 75 1HG2 THR 75 15.002 18.741 -14.954 564 HG23 THR 75 2HG2 THR 75 13.566 17.873 -14.413 565 H GLN 76 H GLN 76 14.351 21.686 -16.846 566 HA GLN 76 HA GLN 76 15.613 20.868 -19.203 567 HB2 GLN 76 2HB GLN 76 15.546 23.196 -18.384 568 HB3 GLN 76 3HB GLN 76 16.632 22.772 -17.071 569 HG2 GLN 76 2HG GLN 76 17.902 23.885 -18.745 570 HG3 GLN 76 3HG GLN 76 18.361 22.185 -18.766 571 HE21 GLN 76 1HE2 GLN 76 15.395 23.434 -20.178 572 HE22 GLN 76 2HE2 GLN 76 15.841 23.143 -21.819 573 H LYS 77 H LYS 77 16.469 20.225 -15.838 574 HA LYS 77 HA LYS 77 19.127 19.371 -16.280 575 HB2 LYS 77 2HB LYS 77 18.024 19.955 -14.050 576 HB3 LYS 77 3HB LYS 77 17.345 18.332 -14.072 577 HG2 LYS 77 2HG LYS 77 19.598 17.380 -14.137 578 HG3 LYS 77 3HG LYS 77 20.288 19.004 -14.147 579 HD2 LYS 77 2HD LYS 77 19.104 19.390 -11.942 580 HD3 LYS 77 3HD LYS 77 18.739 17.663 -11.927 581 HE2 LYS 77 2HE LYS 77 21.487 18.922 -11.983 582 HE3 LYS 77 3HE LYS 77 20.733 18.120 -10.607 583 HZ1 LYS 77 3HZ LYS 77 20.746 16.052 -11.854 584 HZ2 LYS 77 1HZ LYS 77 22.311 16.679 -11.727 585 HZ3 LYS 77 2HZ LYS 77 21.460 16.824 -13.175 586 H ASP 78 H ASP 78 16.115 17.429 -15.950 587 HA ASP 78 HA ASP 78 17.245 14.935 -16.542 588 HB2 ASP 78 2HB ASP 78 14.459 16.008 -17.010 589 HB3 ASP 78 3HB ASP 78 14.902 14.335 -17.343 590 H LEU 79 H LEU 79 15.949 17.428 -18.710 591 HA LEU 79 HA LEU 79 16.300 16.176 -21.170 592 HB2 LEU 79 2HB LEU 79 15.226 18.321 -21.065 593 HB3 LEU 79 3HB LEU 79 16.654 19.068 -20.373 594 HG LEU 79 HG LEU 79 17.862 18.670 -22.518 595 HD11 LEU 79 1HD1 LEU 79 16.566 16.771 -23.312 596 HD12 LEU 79 2HD1 LEU 79 16.600 18.065 -24.506 597 HD13 LEU 79 3HD1 LEU 79 15.154 17.807 -23.528 598 HD21 LEU 79 3HD2 LEU 79 15.314 20.251 -22.837 599 HD22 LEU 79 1HD2 LEU 79 16.802 20.454 -23.759 600 HD23 LEU 79 2HD2 LEU 79 16.773 20.826 -22.036 601 H SER 80 H SER 80 18.649 18.114 -19.324 602 HA SER 80 HA SER 80 20.817 17.949 -21.070 603 HB2 SER 80 2HB SER 80 20.718 19.453 -19.090 604 HB3 SER 80 3HB SER 80 20.941 18.054 -18.041 605 HG SER 80 HG SER 80 22.957 18.767 -18.299 606 H GLU 81 H GLU 81 19.840 15.722 -18.476 607 HA GLU 81 HA GLU 81 22.020 13.957 -18.620 608 HB2 GLU 81 2HB GLU 81 19.140 13.371 -17.893 609 HB3 GLU 81 3HB GLU 81 20.495 12.295 -17.580 610 HG2 GLU 81 2HG GLU 81 20.106 15.049 -16.411 611 HG3 GLU 81 3HG GLU 81 19.854 13.515 -15.578 612 H LEU 82 H LEU 82 18.931 13.937 -20.383 613 HA LEU 82 HA LEU 82 19.375 11.523 -21.799 614 HB2 LEU 82 2HB LEU 82 17.666 13.900 -22.557 615 HB3 LEU 82 3HB LEU 82 17.578 12.312 -23.299 616 HG LEU 82 HG LEU 82 16.915 12.954 -20.415 617 HD11 LEU 82 1HD1 LEU 82 15.133 12.210 -22.735 618 HD12 LEU 82 2HD1 LEU 82 15.247 13.797 -21.973 619 HD13 LEU 82 3HD1 LEU 82 14.617 12.426 -21.061 620 HD21 LEU 82 3HD2 LEU 82 16.131 10.637 -20.283 621 HD22 LEU 82 1HD2 LEU 82 17.858 10.711 -20.631 622 HD23 LEU 82 2HD2 LEU 82 16.712 10.342 -21.920 623 H GLN 83 H GLN 83 19.884 14.923 -22.739 624 HA GLN 83 HA GLN 83 20.931 14.469 -25.300 625 HB2 GLN 83 2HB GLN 83 21.558 16.699 -23.347 626 HB3 GLN 83 3HB GLN 83 21.969 16.715 -25.059 627 HG2 GLN 83 2HG GLN 83 19.627 16.665 -25.660 628 HG3 GLN 83 3HG GLN 83 19.165 16.533 -23.965 629 HE21 GLN 83 1HE2 GLN 83 21.208 18.462 -23.100 630 HE22 GLN 83 2HE2 GLN 83 20.610 20.009 -23.571 631 H ASP 84 H ASP 84 22.643 14.864 -22.198 632 HA ASP 84 HA ASP 84 25.259 14.460 -23.053 633 HB2 ASP 84 2HB ASP 84 24.800 15.230 -20.823 634 HB3 ASP 84 3HB ASP 84 23.883 13.777 -20.446 635 H ALA 85 H ALA 85 22.773 12.089 -22.228 636 HA ALA 85 HA ALA 85 24.418 9.790 -22.245 637 HB1 ALA 85 3HB ALA 85 22.344 8.521 -22.321 638 HB2 ALA 85 1HB ALA 85 21.453 9.976 -22.765 639 HB3 ALA 85 2HB ALA 85 22.215 9.859 -21.179 640 H LYS 86 H LYS 86 22.250 11.081 -24.803 641 HA LYS 86 HA LYS 86 23.081 9.111 -26.713 642 HB2 LYS 86 2HB LYS 86 21.804 10.406 -28.353 643 HB3 LYS 86 3HB LYS 86 20.876 10.151 -26.882 644 HG2 LYS 86 2HG LYS 86 21.456 12.452 -26.164 645 HG3 LYS 86 3HG LYS 86 22.280 12.694 -27.705 646 HD2 LYS 86 2HD LYS 86 19.352 11.993 -27.400 647 HD3 LYS 86 3HD LYS 86 19.974 13.621 -27.666 648 HE2 LYS 86 2HE LYS 86 20.364 11.288 -29.544 649 HE3 LYS 86 3HE LYS 86 19.148 12.546 -29.739 650 HZ1 LYS 86 3HZ LYS 86 20.981 14.177 -29.840 651 HZ2 LYS 86 1HZ LYS 86 21.028 13.052 -31.102 652 HZ3 LYS 86 2HZ LYS 86 22.096 12.905 -29.803 653 H LEU 87 H LEU 87 24.173 12.337 -25.888 654 HA LEU 87 HA LEU 87 25.667 13.031 -28.124 655 HB2 LEU 87 2HB LEU 87 25.278 14.541 -26.236 656 HB3 LEU 87 3HB LEU 87 26.289 13.545 -25.208 657 HG LEU 87 HG LEU 87 28.246 14.106 -26.648 658 HD11 LEU 87 1HD1 LEU 87 26.324 16.019 -27.975 659 HD12 LEU 87 2HD1 LEU 87 27.071 14.606 -28.718 660 HD13 LEU 87 3HD1 LEU 87 28.071 15.971 -28.224 661 HD21 LEU 87 3HD2 LEU 87 28.495 16.411 -25.839 662 HD22 LEU 87 1HD2 LEU 87 27.848 15.342 -24.596 663 HD23 LEU 87 2HD2 LEU 87 26.776 16.455 -25.445 664 H LYS 88 H LYS 88 26.847 11.292 -25.219 665 HA LYS 88 HA LYS 88 29.403 10.756 -26.316 666 HB2 LYS 88 2HB LYS 88 29.749 9.285 -24.431 667 HB3 LYS 88 3HB LYS 88 28.935 10.742 -23.893 668 HG2 LYS 88 2HG LYS 88 27.692 9.238 -22.747 669 HG3 LYS 88 3HG LYS 88 26.783 9.197 -24.256 670 HD2 LYS 88 2HD LYS 88 27.964 7.200 -24.963 671 HD3 LYS 88 3HD LYS 88 29.012 7.280 -23.548 672 HE2 LYS 88 2HE LYS 88 27.319 5.599 -23.192 673 HE3 LYS 88 3HE LYS 88 27.023 6.956 -22.107 674 HZ1 LYS 88 3HZ LYS 88 25.289 7.732 -23.576 675 HZ2 LYS 88 1HZ LYS 88 24.990 6.119 -23.155 676 HZ3 LYS 88 2HZ LYS 88 25.613 6.494 -24.677 677 H ALA 89 H ALA 89 26.357 8.998 -26.438 678 HA ALA 89 HA ALA 89 27.332 6.521 -27.377 679 HB1 ALA 89 3HB ALA 89 25.068 6.813 -26.492 680 HB2 ALA 89 1HB ALA 89 25.039 6.087 -28.099 681 HB3 ALA 89 2HB ALA 89 24.640 7.793 -27.894 682 H GLU 90 H GLU 90 26.156 9.381 -29.142 683 HA GLU 90 HA GLU 90 26.642 8.333 -31.748 684 HB2 GLU 90 2HB GLU 90 26.372 11.206 -30.815 685 HB3 GLU 90 3HB GLU 90 26.328 10.678 -32.492 686 HG2 GLU 90 2HG GLU 90 24.296 9.425 -32.085 687 HG3 GLU 90 3HG GLU 90 24.358 9.826 -30.371 688 H GLY 91 H GLY 91 28.698 9.669 -29.346 689 HA2 GLY 91 2HA GLY 91 30.807 10.366 -31.261 690 HA3 GLY 91 3HA GLY 91 30.820 10.692 -29.538 691 H LEU 92 H LEU 92 29.940 7.688 -29.282 692 HA LEU 92 HA LEU 92 32.470 6.658 -28.635 693 HB2 LEU 92 2HB LEU 92 29.810 5.311 -29.079 694 HB3 LEU 92 3HB LEU 92 31.240 4.409 -28.609 695 HG LEU 92 HG LEU 92 30.028 6.666 -26.997 696 HD11 LEU 92 1HD1 LEU 92 29.267 4.925 -25.462 697 HD12 LEU 92 2HD1 LEU 92 29.864 3.682 -26.565 698 HD13 LEU 92 3HD1 LEU 92 28.537 4.737 -27.056 699 HD21 LEU 92 3HD2 LEU 92 32.418 6.447 -26.626 700 HD22 LEU 92 1HD2 LEU 92 32.245 4.711 -26.363 701 HD23 LEU 92 2HD2 LEU 92 31.536 5.853 -25.221 702 H GLU 93 H GLU 93 30.392 5.151 -31.128 703 HA GLU 93 HA GLU 93 32.832 4.327 -32.515 704 HB2 GLU 93 2HB GLU 93 31.435 2.773 -33.758 705 HB3 GLU 93 3HB GLU 93 31.168 2.590 -32.030 706 HG2 GLU 93 2HG GLU 93 29.079 3.804 -32.187 707 HG3 GLU 93 3HG GLU 93 29.362 4.120 -33.900 708 H HIS 94 H HIS 94 33.476 5.104 -34.431 709 HA HIS 94 HA HIS 94 31.914 7.179 -35.743 710 HB2 HIS 94 2HB HIS 94 34.438 7.262 -35.422 711 HB3 HIS 94 3HB HIS 94 34.552 6.014 -36.658 712 HD1 HIS 94 HD1 HIS 94 35.306 7.101 -38.746 713 HD2 HIS 94 HD2 HIS 94 32.558 9.448 -36.702 714 HE1 HIS 94 HE1 HIS 94 34.948 9.120 -40.184 715 HE2 HIS 94 HE2 HIS 94 33.456 10.619 -38.822 716 H HIS 95 H HIS 95 31.908 3.886 -35.800 717 HA HIS 95 HA HIS 95 31.536 3.293 -38.554 718 HB2 HIS 95 2HB HIS 95 30.396 1.863 -36.133 719 HB3 HIS 95 3HB HIS 95 30.480 1.215 -37.765 720 HD1 HIS 95 HD1 HIS 95 31.962 0.442 -34.839 721 HD2 HIS 95 HD2 HIS 95 33.606 1.683 -38.452 722 HE1 HIS 95 HE1 HIS 95 34.324 -0.408 -34.833 723 HE2 HIS 95 HE2 HIS 95 35.330 0.449 -36.973 724 H HIS 96 H HIS 96 30.158 4.987 -39.336 725 HA HIS 96 HA HIS 96 27.699 5.735 -38.282 726 HB2 HIS 96 2HB HIS 96 27.149 6.454 -40.668 727 HB3 HIS 96 3HB HIS 96 28.606 7.128 -39.952 728 HD1 HIS 96 HD1 HIS 96 30.759 6.774 -41.192 729 HD2 HIS 96 HD2 HIS 96 27.681 4.386 -42.643 730 HE1 HIS 96 HE1 HIS 96 31.662 5.697 -43.272 731 HE2 HIS 96 HE2 HIS 96 29.735 4.386 -44.212 732 H HIS 97 H HIS 97 26.027 4.475 -37.807 733 HA HIS 97 HA HIS 97 25.066 2.556 -39.829 734 HB2 HIS 97 2HB HIS 97 25.428 2.070 -36.871 735 HB3 HIS 97 3HB HIS 97 24.357 1.086 -37.861 736 HD1 HIS 97 HD1 HIS 97 27.800 1.317 -36.759 737 HD2 HIS 97 HD2 HIS 97 25.806 -0.237 -40.060 738 HE1 HIS 97 HE1 HIS 97 29.380 -0.345 -37.786 739 HE2 HIS 97 HE2 HIS 97 28.059 -1.420 -39.634 740 H HIS 98 H HIS 98 22.901 2.476 -40.146 741 HA HIS 98 HA HIS 98 21.164 4.007 -38.306 742 HB2 HIS 98 2HB HIS 98 21.222 5.145 -40.438 743 HB3 HIS 98 3HB HIS 98 20.921 3.644 -41.308 744 HD1 HIS 98 HD1 HIS 98 19.200 6.285 -39.289 745 HD2 HIS 98 HD2 HIS 98 18.233 2.823 -41.372 746 HE1 HIS 98 HE1 HIS 98 16.697 6.263 -39.428 747 HE2 HIS 98 HE2 HIS 98 16.139 4.053 -40.488 748 H HIS 99 H HIS 99 19.578 2.912 -37.343 749 HA HIS 99 HA HIS 99 18.962 0.177 -38.203 750 HB2 HIS 99 2HB HIS 99 19.228 0.050 -35.931 751 HB3 HIS 99 3HB HIS 99 18.722 1.709 -35.667 752 HD1 HIS 99 HD1 HIS 99 16.363 2.107 -34.962 753 HD2 HIS 99 HD2 HIS 99 17.030 -1.821 -36.141 754 HE1 HIS 99 HE1 HIS 99 14.287 0.853 -34.320 755 HE2 HIS 99 HE2 HIS 99 14.786 -1.546 -34.880 Start of MODEL 4 1 H1 GLU 1 1H GLU 1 2.604 0.094 -1.129 2 H2 GLU 1 2H GLU 1 0.923 0.260 -1.168 3 H3 GLU 1 3H GLU 1 1.889 1.576 -0.736 4 HA GLU 1 HA GLU 1 1.104 1.868 -2.967 5 HB2 GLU 1 2HB GLU 1 4.043 1.125 -2.871 6 HB3 GLU 1 3HB GLU 1 3.285 2.055 -4.155 7 HG2 GLU 1 2HG GLU 1 4.373 3.613 -2.766 8 HG3 GLU 1 3HG GLU 1 2.656 3.756 -2.401 9 H ASP 2 H ASP 2 0.991 1.134 -5.162 10 HA ASP 2 HA ASP 2 0.785 -1.798 -5.332 11 HB2 ASP 2 2HB ASP 2 -0.357 0.351 -7.144 12 HB3 ASP 2 3HB ASP 2 -0.691 -1.375 -7.252 13 HA PRO 3 HA PRO 3 3.992 -2.102 -8.529 14 HB2 PRO 3 2HB PRO 3 2.768 -3.752 -10.364 15 HB3 PRO 3 3HB PRO 3 3.533 -4.332 -8.880 16 HG2 PRO 3 2HG PRO 3 0.635 -3.791 -9.430 17 HG3 PRO 3 3HG PRO 3 1.375 -5.159 -8.574 18 HD2 PRO 3 2HD PRO 3 0.231 -3.121 -7.240 19 HD3 PRO 3 3HD PRO 3 1.687 -3.930 -6.621 20 H GLU 4 H GLU 4 0.829 -0.934 -9.068 21 HA GLU 4 HA GLU 4 1.033 -0.114 -11.780 22 HB2 GLU 4 2HB GLU 4 -0.745 0.989 -9.593 23 HB3 GLU 4 3HB GLU 4 -0.988 1.172 -11.325 24 HG2 GLU 4 2HG GLU 4 -1.041 -1.443 -9.820 25 HG3 GLU 4 3HG GLU 4 -2.457 -0.534 -10.342 26 H ASP 5 H ASP 5 1.965 1.354 -8.731 27 HA ASP 5 HA ASP 5 2.312 4.005 -9.572 28 HB2 ASP 5 2HB ASP 5 3.810 2.410 -7.479 29 HB3 ASP 5 3HB ASP 5 3.951 4.155 -7.678 30 HA PRO 6 HA PRO 6 5.528 3.621 -12.715 31 HB2 PRO 6 2HB PRO 6 6.104 6.371 -11.698 32 HB3 PRO 6 3HB PRO 6 5.917 5.802 -13.361 33 HG2 PRO 6 2HG PRO 6 3.977 7.153 -12.087 34 HG3 PRO 6 3HG PRO 6 3.614 5.890 -13.274 35 HD2 PRO 6 2HD PRO 6 3.328 5.868 -10.329 36 HD3 PRO 6 3HD PRO 6 2.479 4.905 -11.553 37 H PHE 7 H PHE 7 6.330 5.317 -9.670 38 HA PHE 7 HA PHE 7 9.078 4.829 -9.657 39 HB2 PHE 7 2HB PHE 7 7.978 6.435 -8.166 40 HB3 PHE 7 3HB PHE 7 7.179 5.123 -7.312 41 HD1 PHE 7 HD2 PHE 7 10.645 6.176 -8.261 42 HD2 PHE 7 HD1 PHE 7 8.098 4.462 -5.302 43 HE1 PHE 7 HE2 PHE 7 12.544 6.046 -6.700 44 HE2 PHE 7 HE1 PHE 7 9.995 4.335 -3.741 45 HZ PHE 7 HZ PHE 7 12.220 5.125 -4.437 46 H THR 8 H THR 8 6.420 2.730 -8.720 47 HA THR 8 HA THR 8 8.114 0.832 -7.329 48 HB THR 8 HB THR 8 5.239 0.507 -8.229 49 HG1 THR 8 HG1 THR 8 4.694 1.212 -6.209 50 HG21 THR 8 3HG2 THR 8 6.867 -1.095 -6.239 51 HG22 THR 8 1HG2 THR 8 6.336 -1.653 -7.825 52 HG23 THR 8 2HG2 THR 8 5.148 -1.306 -6.569 53 H ARG 9 H ARG 9 6.148 0.602 -10.332 54 HA ARG 9 HA ARG 9 7.216 -1.849 -11.197 55 HB2 ARG 9 2HB ARG 9 6.445 -1.034 -13.528 56 HB3 ARG 9 3HB ARG 9 5.237 -1.246 -12.270 57 HG2 ARG 9 2HG ARG 9 5.399 1.226 -11.829 58 HG3 ARG 9 3HG ARG 9 6.404 1.345 -13.273 59 HD2 ARG 9 2HD ARG 9 3.653 0.110 -13.314 60 HD3 ARG 9 3HD ARG 9 3.910 1.837 -13.540 61 HE ARG 9 HE ARG 9 5.026 1.371 -15.579 62 HH11 ARG 9 1HH1 ARG 9 3.520 -1.393 -14.174 63 HH12 ARG 9 2HH1 ARG 9 3.614 -2.312 -15.635 64 HH21 ARG 9 1HH2 ARG 9 5.095 0.185 -17.446 65 HH22 ARG 9 2HH2 ARG 9 4.492 -1.436 -17.449 66 H TYR 10 H TYR 10 8.481 1.391 -11.498 67 HA TYR 10 HA TYR 10 10.574 0.920 -13.320 68 HB2 TYR 10 2HB TYR 10 9.880 3.159 -12.514 69 HB3 TYR 10 3HB TYR 10 10.531 2.781 -10.924 70 HD1 TYR 10 HD1 TYR 10 11.511 3.160 -14.497 71 HD2 TYR 10 HD2 TYR 10 12.787 3.266 -10.433 72 HE1 TYR 10 HE1 TYR 10 13.677 4.067 -15.206 73 HE2 TYR 10 HE2 TYR 10 14.961 4.175 -11.139 74 HH TYR 10 HH TYR 10 15.496 5.399 -14.257 75 H ALA 11 H ALA 11 10.526 0.685 -9.752 76 HA ALA 11 HA ALA 11 13.181 -0.104 -9.364 77 HB1 ALA 11 3HB ALA 11 11.730 0.640 -7.551 78 HB2 ALA 11 1HB ALA 11 12.450 -0.928 -7.182 79 HB3 ALA 11 2HB ALA 11 10.767 -0.831 -7.704 80 H LEU 12 H LEU 12 10.284 -2.129 -9.851 81 HA LEU 12 HA LEU 12 11.454 -4.644 -9.569 82 HB2 LEU 12 2HB LEU 12 9.102 -3.649 -11.140 83 HB3 LEU 12 3HB LEU 12 9.625 -5.310 -11.334 84 HG LEU 12 HG LEU 12 7.792 -5.163 -9.736 85 HD11 LEU 12 1HD1 LEU 12 10.407 -5.853 -8.394 86 HD12 LEU 12 2HD1 LEU 12 9.449 -6.920 -9.422 87 HD13 LEU 12 3HD1 LEU 12 8.803 -6.375 -7.875 88 HD21 LEU 12 3HD2 LEU 12 8.049 -4.036 -7.582 89 HD22 LEU 12 1HD2 LEU 12 8.148 -2.891 -8.919 90 HD23 LEU 12 2HD2 LEU 12 9.617 -3.405 -8.090 91 H ALA 13 H ALA 13 11.299 -2.568 -12.450 92 HA ALA 13 HA ALA 13 12.462 -4.303 -14.306 93 HB1 ALA 13 3HB ALA 13 13.074 -2.309 -15.567 94 HB2 ALA 13 1HB ALA 13 12.794 -1.304 -14.144 95 HB3 ALA 13 2HB ALA 13 11.447 -2.152 -14.905 96 H GLN 14 H GLN 14 14.031 -2.014 -12.076 97 HA GLN 14 HA GLN 14 16.700 -2.506 -12.795 98 HB2 GLN 14 2HB GLN 14 15.550 -1.725 -10.106 99 HB3 GLN 14 3HB GLN 14 17.257 -1.647 -10.525 100 HG2 GLN 14 2HG GLN 14 16.762 -0.002 -12.262 101 HG3 GLN 14 3HG GLN 14 15.047 -0.088 -11.861 102 HE21 GLN 14 1HE2 GLN 14 18.189 0.964 -10.773 103 HE22 GLN 14 2HE2 GLN 14 17.618 2.026 -9.538 104 H GLU 15 H GLU 15 14.641 -4.116 -10.377 105 HA GLU 15 HA GLU 15 16.583 -5.825 -9.293 106 HB2 GLU 15 2HB GLU 15 13.611 -6.336 -9.595 107 HB3 GLU 15 3HB GLU 15 14.694 -7.215 -8.523 108 HG2 GLU 15 2HG GLU 15 13.967 -4.293 -8.342 109 HG3 GLU 15 3HG GLU 15 13.415 -5.583 -7.278 110 H HIS 16 H HIS 16 14.481 -6.267 -12.138 111 HA HIS 16 HA HIS 16 15.268 -8.903 -12.745 112 HB2 HIS 16 2HB HIS 16 14.296 -6.672 -14.534 113 HB3 HIS 16 3HB HIS 16 14.634 -8.291 -15.134 114 HD1 HIS 16 HD1 HIS 16 13.187 -10.252 -13.776 115 HD2 HIS 16 HD2 HIS 16 11.740 -6.355 -13.697 116 HE1 HIS 16 HE1 HIS 16 10.755 -10.445 -13.198 117 HE2 HIS 16 HE2 HIS 16 9.878 -8.091 -13.251 118 H LEU 17 H LEU 17 16.734 -5.786 -13.637 119 HA LEU 17 HA LEU 17 18.821 -6.784 -15.239 120 HB2 LEU 17 2HB LEU 17 18.746 -4.367 -13.422 121 HB3 LEU 17 3HB LEU 17 20.061 -4.708 -14.531 122 HG LEU 17 HG LEU 17 17.195 -4.240 -15.375 123 HD11 LEU 17 1HD1 LEU 17 17.971 -2.064 -16.166 124 HD12 LEU 17 2HD1 LEU 17 19.572 -2.381 -15.496 125 HD13 LEU 17 3HD1 LEU 17 18.182 -2.218 -14.422 126 HD21 LEU 17 3HD2 LEU 17 18.170 -4.050 -17.632 127 HD22 LEU 17 1HD2 LEU 17 18.416 -5.653 -16.940 128 HD23 LEU 17 2HD2 LEU 17 19.745 -4.495 -16.979 129 H LYS 18 H LYS 18 18.617 -6.338 -11.722 130 HA LYS 18 HA LYS 18 21.222 -7.190 -11.062 131 HB2 LYS 18 2HB LYS 18 18.663 -7.422 -9.456 132 HB3 LYS 18 3HB LYS 18 20.282 -7.646 -8.807 133 HG2 LYS 18 2HG LYS 18 20.828 -5.324 -9.312 134 HG3 LYS 18 3HG LYS 18 19.225 -5.092 -10.017 135 HD2 LYS 18 2HD LYS 18 18.199 -5.582 -7.837 136 HD3 LYS 18 3HD LYS 18 19.800 -5.819 -7.133 137 HE2 LYS 18 2HE LYS 18 20.366 -3.502 -7.549 138 HE3 LYS 18 3HE LYS 18 18.835 -3.247 -8.387 139 HZ1 LYS 18 3HZ LYS 18 17.685 -3.756 -6.302 140 HZ2 LYS 18 1HZ LYS 18 18.703 -2.413 -6.150 141 HZ3 LYS 18 2HZ LYS 18 19.172 -3.906 -5.511 142 H HIS 19 H HIS 19 18.282 -8.988 -11.749 143 HA HIS 19 HA HIS 19 19.570 -11.552 -11.169 144 HB2 HIS 19 2HB HIS 19 16.759 -10.807 -11.998 145 HB3 HIS 19 3HB HIS 19 17.308 -12.477 -11.891 146 HD1 HIS 19 HD1 HIS 19 17.628 -13.476 -9.556 147 HD2 HIS 19 HD2 HIS 19 16.432 -9.501 -9.513 148 HE1 HIS 19 HE1 HIS 19 16.972 -12.999 -7.183 149 HE2 HIS 19 HE2 HIS 19 16.108 -10.639 -7.216 150 H ASP 20 H ASP 20 20.059 -9.572 -13.551 151 HA ASP 20 HA ASP 20 21.046 -9.813 -15.575 152 HB2 ASP 20 2HB ASP 20 22.014 -11.880 -14.522 153 HB3 ASP 20 3HB ASP 20 20.697 -12.801 -15.241 154 H ASN 21 H ASN 21 17.881 -10.430 -15.029 155 HA ASN 21 HA ASN 21 17.095 -11.433 -17.613 156 HB2 ASN 21 2HB ASN 21 15.430 -10.076 -15.475 157 HB3 ASN 21 3HB ASN 21 14.794 -10.916 -16.887 158 HD21 ASN 21 1HD2 ASN 21 14.990 -13.182 -16.990 159 HD22 ASN 21 2HD2 ASN 21 15.253 -14.116 -15.565 160 H ALA 22 H ALA 22 18.516 -9.765 -18.687 161 HA ALA 22 HA ALA 22 18.009 -7.037 -18.724 162 HB1 ALA 22 3HB ALA 22 19.241 -6.967 -20.807 163 HB2 ALA 22 1HB ALA 22 19.020 -8.706 -21.024 164 HB3 ALA 22 2HB ALA 22 20.004 -8.100 -19.690 165 H SER 23 H SER 23 16.656 -9.514 -20.944 166 HA SER 23 HA SER 23 15.173 -7.700 -22.516 167 HB2 SER 23 2HB SER 23 14.788 -10.662 -22.041 168 HB3 SER 23 3HB SER 23 13.822 -9.736 -23.191 169 HG SER 23 HG SER 23 15.663 -9.297 -24.375 170 H ARG 24 H ARG 24 14.195 -9.574 -19.632 171 HA ARG 24 HA ARG 24 11.505 -8.709 -19.597 172 HB2 ARG 24 2HB ARG 24 13.343 -9.696 -17.422 173 HB3 ARG 24 3HB ARG 24 11.704 -9.176 -17.061 174 HG2 ARG 24 2HG ARG 24 12.474 -11.397 -18.951 175 HG3 ARG 24 3HG ARG 24 11.829 -11.591 -17.320 176 HD2 ARG 24 2HD ARG 24 9.776 -10.368 -18.057 177 HD3 ARG 24 3HD ARG 24 10.419 -10.373 -19.700 178 HE ARG 24 HE ARG 24 10.157 -12.957 -18.398 179 HH11 ARG 24 1HH1 ARG 24 8.794 -10.668 -20.584 180 HH12 ARG 24 2HH1 ARG 24 7.730 -11.825 -21.301 181 HH21 ARG 24 1HH2 ARG 24 8.796 -14.423 -19.311 182 HH22 ARG 24 2HH2 ARG 24 7.730 -13.935 -20.582 183 H ALA 25 H ALA 25 14.400 -7.317 -18.061 184 HA ALA 25 HA ALA 25 13.112 -5.150 -16.799 185 HB1 ALA 25 3HB ALA 25 15.933 -5.304 -17.861 186 HB2 ALA 25 1HB ALA 25 15.399 -5.836 -16.267 187 HB3 ALA 25 2HB ALA 25 15.328 -4.127 -16.696 188 H LEU 26 H LEU 26 14.720 -5.353 -19.969 189 HA LEU 26 HA LEU 26 14.294 -2.764 -20.885 190 HB2 LEU 26 2HB LEU 26 15.730 -4.426 -21.998 191 HB3 LEU 26 3HB LEU 26 14.312 -5.338 -22.474 192 HG LEU 26 HG LEU 26 13.580 -3.453 -23.898 193 HD11 LEU 26 1HD1 LEU 26 14.599 -1.612 -22.676 194 HD12 LEU 26 2HD1 LEU 26 15.119 -1.605 -24.360 195 HD13 LEU 26 3HD1 LEU 26 16.209 -2.194 -23.104 196 HD21 LEU 26 3HD2 LEU 26 14.906 -5.255 -24.868 197 HD22 LEU 26 1HD2 LEU 26 16.394 -4.407 -24.442 198 HD23 LEU 26 2HD2 LEU 26 15.291 -3.713 -25.631 199 H ALA 27 H ALA 27 12.198 -5.616 -21.208 200 HA ALA 27 HA ALA 27 10.093 -4.466 -22.638 201 HB1 ALA 27 3HB ALA 27 10.306 -6.880 -22.233 202 HB2 ALA 27 1HB ALA 27 8.714 -6.283 -21.767 203 HB3 ALA 27 2HB ALA 27 9.924 -6.625 -20.530 204 H LEU 28 H LEU 28 10.589 -4.643 -19.104 205 HA LEU 28 HA LEU 28 8.240 -3.277 -18.370 206 HB2 LEU 28 2HB LEU 28 10.879 -3.673 -16.992 207 HB3 LEU 28 3HB LEU 28 9.621 -2.692 -16.262 208 HG LEU 28 HG LEU 28 9.341 -5.612 -17.008 209 HD11 LEU 28 1HD1 LEU 28 9.304 -5.994 -14.585 210 HD12 LEU 28 2HD1 LEU 28 9.669 -4.289 -14.315 211 HD13 LEU 28 3HD1 LEU 28 10.843 -5.327 -15.127 212 HD21 LEU 28 3HD2 LEU 28 7.222 -5.507 -15.817 213 HD22 LEU 28 1HD2 LEU 28 7.231 -4.370 -17.163 214 HD23 LEU 28 2HD2 LEU 28 7.457 -3.784 -15.513 215 H PHE 29 H PHE 29 11.546 -1.985 -18.913 216 HA PHE 29 HA PHE 29 10.959 0.701 -18.385 217 HB2 PHE 29 2HB PHE 29 12.997 -0.535 -20.244 218 HB3 PHE 29 3HB PHE 29 12.897 1.200 -19.967 219 HD1 PHE 29 HD1 PHE 29 12.773 1.791 -17.317 220 HD2 PHE 29 HD2 PHE 29 14.605 -1.652 -19.032 221 HE1 PHE 29 HE1 PHE 29 14.212 1.571 -15.334 222 HE2 PHE 29 HE2 PHE 29 16.041 -1.877 -17.048 223 HZ PHE 29 HZ PHE 29 15.845 -0.268 -15.194 224 H GLU 30 H GLU 30 10.907 -0.989 -21.540 225 HA GLU 30 HA GLU 30 9.867 1.169 -23.026 226 HB2 GLU 30 2HB GLU 30 9.609 -1.810 -23.517 227 HB3 GLU 30 3HB GLU 30 9.215 -0.567 -24.695 228 HG2 GLU 30 2HG GLU 30 11.583 0.218 -24.554 229 HG3 GLU 30 3HG GLU 30 11.928 -1.170 -23.528 230 H GLU 31 H GLU 31 8.317 -1.217 -20.984 231 HA GLU 31 HA GLU 31 5.627 -0.549 -21.743 232 HB2 GLU 31 2HB GLU 31 6.300 -2.749 -20.753 233 HB3 GLU 31 3HB GLU 31 6.598 -1.929 -19.226 234 HG2 GLU 31 2HG GLU 31 4.209 -1.248 -19.183 235 HG3 GLU 31 3HG GLU 31 3.948 -2.200 -20.644 236 H LEU 32 H LEU 32 7.932 0.666 -19.385 237 HA LEU 32 HA LEU 32 6.164 2.142 -17.760 238 HB2 LEU 32 2HB LEU 32 9.035 2.730 -18.513 239 HB3 LEU 32 3HB LEU 32 8.148 3.587 -17.267 240 HG LEU 32 HG LEU 32 8.839 0.642 -17.221 241 HD11 LEU 32 1HD1 LEU 32 9.958 2.937 -15.618 242 HD12 LEU 32 2HD1 LEU 32 10.793 2.064 -16.905 243 HD13 LEU 32 3HD1 LEU 32 10.358 1.232 -15.413 244 HD21 LEU 32 3HD2 LEU 32 7.477 2.373 -15.158 245 HD22 LEU 32 1HD2 LEU 32 8.008 0.708 -14.910 246 HD23 LEU 32 2HD2 LEU 32 6.742 1.064 -16.083 247 H VAL 33 H VAL 33 7.710 2.883 -20.840 248 HA VAL 33 HA VAL 33 7.051 5.590 -21.072 249 HB VAL 33 HB VAL 33 7.222 3.569 -23.321 250 HG11 VAL 33 1HG1 VAL 33 7.837 5.496 -24.714 251 HG12 VAL 33 2HG1 VAL 33 7.581 6.570 -23.340 252 HG13 VAL 33 3HG1 VAL 33 6.222 5.681 -24.028 253 HG21 VAL 33 3HG2 VAL 33 9.583 4.203 -23.482 254 HG22 VAL 33 1HG2 VAL 33 9.217 3.513 -21.899 255 HG23 VAL 33 2HG2 VAL 33 9.402 5.259 -22.080 256 H GLU 34 H GLU 34 5.155 2.724 -22.111 257 HA GLU 34 HA GLU 34 3.011 4.271 -23.191 258 HB2 GLU 34 2HB GLU 34 1.780 2.169 -23.355 259 HB3 GLU 34 3HB GLU 34 3.428 1.963 -23.932 260 HG2 GLU 34 2HG GLU 34 4.050 0.889 -21.842 261 HG3 GLU 34 3HG GLU 34 2.427 1.148 -21.208 262 H THR 35 H THR 35 3.636 2.859 -20.020 263 HA THR 35 HA THR 35 1.026 3.501 -18.967 264 HB THR 35 HB THR 35 1.964 2.885 -16.757 265 HG1 THR 35 HG1 THR 35 4.243 3.573 -17.630 266 HG21 THR 35 3HG2 THR 35 2.619 0.916 -18.962 267 HG22 THR 35 1HG2 THR 35 1.041 1.137 -18.203 268 HG23 THR 35 2HG2 THR 35 2.394 0.519 -17.258 269 H ASP 36 H ASP 36 4.005 5.201 -19.330 270 HA ASP 36 HA ASP 36 2.846 7.622 -18.295 271 HB2 ASP 36 2HB ASP 36 3.800 6.335 -16.271 272 HB3 ASP 36 3HB ASP 36 5.388 6.708 -16.937 273 HA PRO 37 HA PRO 37 5.624 8.246 -21.825 274 HB2 PRO 37 2HB PRO 37 4.403 10.394 -22.883 275 HB3 PRO 37 3HB PRO 37 3.699 8.774 -22.984 276 HG2 PRO 37 2HG PRO 37 3.059 10.999 -21.071 277 HG3 PRO 37 3HG PRO 37 1.945 9.950 -21.968 278 HD2 PRO 37 2HD PRO 37 2.618 9.535 -19.350 279 HD3 PRO 37 3HD PRO 37 2.164 8.222 -20.456 280 H ASP 38 H ASP 38 5.373 10.192 -19.057 281 HA ASP 38 HA ASP 38 7.511 11.963 -20.067 282 HB2 ASP 38 2HB ASP 38 6.653 13.693 -18.469 283 HB3 ASP 38 3HB ASP 38 5.586 13.324 -19.816 284 H TYR 39 H TYR 39 7.102 9.421 -18.092 285 HA TYR 39 HA TYR 39 8.530 10.223 -15.764 286 HB2 TYR 39 2HB TYR 39 7.100 8.113 -16.094 287 HB3 TYR 39 3HB TYR 39 8.503 7.421 -16.897 288 HD1 TYR 39 HD1 TYR 39 7.194 8.684 -13.689 289 HD2 TYR 39 HD2 TYR 39 10.399 6.649 -15.614 290 HE1 TYR 39 HE1 TYR 39 8.062 7.989 -11.497 291 HE2 TYR 39 HE2 TYR 39 11.276 5.949 -13.428 292 HH TYR 39 HH TYR 39 11.155 6.695 -11.065 293 H VAL 40 H VAL 40 10.402 11.321 -16.240 294 HA VAL 40 HA VAL 40 12.157 10.828 -18.350 295 HB VAL 40 HB VAL 40 12.832 12.077 -15.677 296 HG11 VAL 40 1HG1 VAL 40 14.659 13.171 -16.842 297 HG12 VAL 40 2HG1 VAL 40 14.203 12.390 -18.354 298 HG13 VAL 40 3HG1 VAL 40 14.812 11.425 -17.010 299 HG21 VAL 40 3HG2 VAL 40 10.936 13.189 -16.730 300 HG22 VAL 40 1HG2 VAL 40 11.836 13.337 -18.242 301 HG23 VAL 40 2HG2 VAL 40 12.365 14.218 -16.809 302 H GLY 41 H GLY 41 12.310 9.640 -15.001 303 HA2 GLY 41 2HA GLY 41 14.774 8.430 -14.921 304 HA3 GLY 41 3HA GLY 41 13.355 7.786 -14.112 305 H THR 42 H THR 42 11.890 7.226 -16.545 306 HA THR 42 HA THR 42 12.825 4.632 -17.174 307 HB THR 42 HB THR 42 10.845 6.365 -18.686 308 HG1 THR 42 HG1 THR 42 9.324 5.429 -17.423 309 HG21 THR 42 3HG2 THR 42 11.326 3.381 -18.859 310 HG22 THR 42 1HG2 THR 42 11.708 4.564 -20.111 311 HG23 THR 42 2HG2 THR 42 10.028 4.262 -19.664 312 H TYR 43 H TYR 43 12.697 7.570 -19.214 313 HA TYR 43 HA TYR 43 13.952 6.495 -21.469 314 HB2 TYR 43 2HB TYR 43 13.867 9.357 -20.478 315 HB3 TYR 43 3HB TYR 43 14.436 8.885 -22.075 316 HD1 TYR 43 HD1 TYR 43 11.482 9.244 -19.916 317 HD2 TYR 43 HD2 TYR 43 12.882 8.158 -23.790 318 HE1 TYR 43 HE1 TYR 43 9.181 9.367 -20.779 319 HE2 TYR 43 HE2 TYR 43 10.590 8.279 -24.656 320 HH TYR 43 HH TYR 43 8.013 9.655 -22.878 321 H TYR 44 H TYR 44 15.352 8.144 -18.670 322 HA TYR 44 HA TYR 44 17.961 8.442 -19.646 323 HB2 TYR 44 2HB TYR 44 17.001 9.556 -17.616 324 HB3 TYR 44 3HB TYR 44 17.164 8.030 -16.753 325 HD1 TYR 44 HD2 TYR 44 19.176 10.518 -18.683 326 HD2 TYR 44 HD1 TYR 44 19.153 7.585 -15.594 327 HE1 TYR 44 HE2 TYR 44 21.480 11.132 -18.090 328 HE2 TYR 44 HE1 TYR 44 21.457 8.195 -14.996 329 HH TYR 44 HH TYR 44 22.987 11.017 -16.200 330 H HIS 45 H HIS 45 16.705 5.863 -17.481 331 HA HIS 45 HA HIS 45 19.135 4.341 -17.672 332 HB2 HIS 45 2HB HIS 45 16.434 3.799 -16.463 333 HB3 HIS 45 3HB HIS 45 17.657 2.535 -16.552 334 HD1 HIS 45 HD1 HIS 45 18.783 2.326 -14.364 335 HD2 HIS 45 HD2 HIS 45 17.886 6.288 -15.249 336 HE1 HIS 45 HE1 HIS 45 19.684 3.666 -12.444 337 HE2 HIS 45 HE2 HIS 45 19.000 6.035 -12.929 338 H LEU 46 H LEU 46 16.091 4.326 -19.414 339 HA LEU 46 HA LEU 46 16.248 1.833 -20.679 340 HB2 LEU 46 2HB LEU 46 14.267 3.284 -20.751 341 HB3 LEU 46 3HB LEU 46 15.141 4.442 -21.733 342 HG LEU 46 HG LEU 46 15.260 2.819 -23.571 343 HD11 LEU 46 1HD1 LEU 46 13.597 1.032 -21.801 344 HD12 LEU 46 2HD1 LEU 46 15.281 0.761 -22.246 345 HD13 LEU 46 3HD1 LEU 46 14.025 0.724 -23.484 346 HD21 LEU 46 3HD2 LEU 46 12.456 3.204 -22.512 347 HD22 LEU 46 1HD2 LEU 46 12.896 2.845 -24.182 348 HD23 LEU 46 2HD2 LEU 46 13.374 4.379 -23.455 349 H GLY 47 H GLY 47 17.541 4.997 -21.700 350 HA2 GLY 47 2HA GLY 47 18.820 4.151 -24.057 351 HA3 GLY 47 3HA GLY 47 19.283 5.545 -23.094 352 H LYS 48 H LYS 48 20.115 4.397 -20.735 353 HA LYS 48 HA LYS 48 22.725 3.563 -21.280 354 HB2 LYS 48 2HB LYS 48 21.242 2.826 -18.753 355 HB3 LYS 48 3HB LYS 48 22.967 3.087 -18.947 356 HG2 LYS 48 2HG LYS 48 20.798 5.173 -19.050 357 HG3 LYS 48 3HG LYS 48 21.974 4.936 -17.762 358 HD2 LYS 48 2HD LYS 48 22.643 5.744 -20.600 359 HD3 LYS 48 3HD LYS 48 22.492 6.857 -19.244 360 HE2 LYS 48 2HE LYS 48 24.785 6.509 -19.416 361 HE3 LYS 48 3HE LYS 48 24.304 5.417 -18.120 362 HZ1 LYS 48 3HZ LYS 48 24.638 4.588 -20.950 363 HZ2 LYS 48 1HZ LYS 48 24.394 3.576 -19.619 364 HZ3 LYS 48 2HZ LYS 48 25.840 4.431 -19.775 365 H LEU 49 H LEU 49 19.808 1.665 -20.698 366 HA LEU 49 HA LEU 49 21.049 -0.883 -20.624 367 HB2 LEU 49 2HB LEU 49 18.772 -0.433 -19.782 368 HB3 LEU 49 3HB LEU 49 18.221 -0.168 -21.426 369 HG LEU 49 HG LEU 49 18.588 -2.498 -21.989 370 HD11 LEU 49 1HD1 LEU 49 20.610 -2.892 -20.667 371 HD12 LEU 49 2HD1 LEU 49 19.390 -4.121 -20.338 372 HD13 LEU 49 3HD1 LEU 49 19.663 -2.818 -19.179 373 HD21 LEU 49 3HD2 LEU 49 16.972 -3.561 -20.488 374 HD22 LEU 49 1HD2 LEU 49 16.462 -1.929 -20.922 375 HD23 LEU 49 2HD2 LEU 49 17.164 -2.241 -19.335 376 H TYR 50 H TYR 50 19.587 0.981 -23.302 377 HA TYR 50 HA TYR 50 20.052 -0.859 -25.362 378 HB2 TYR 50 2HB TYR 50 20.084 2.167 -25.429 379 HB3 TYR 50 3HB TYR 50 20.225 1.174 -26.872 380 HD1 TYR 50 HD2 TYR 50 18.251 -0.866 -26.668 381 HD2 TYR 50 HD1 TYR 50 18.016 3.164 -25.316 382 HE1 TYR 50 HE2 TYR 50 15.798 -0.945 -26.861 383 HE2 TYR 50 HE1 TYR 50 15.574 3.092 -25.510 384 HH TYR 50 HH TYR 50 13.830 0.191 -25.990 385 H GLU 51 H GLU 51 22.206 1.700 -24.100 386 HA GLU 51 HA GLU 51 24.397 1.276 -25.765 387 HB2 GLU 51 2HB GLU 51 24.400 2.072 -22.840 388 HB3 GLU 51 3HB GLU 51 25.784 2.210 -23.914 389 HG2 GLU 51 2HG GLU 51 24.368 3.730 -25.352 390 HG3 GLU 51 3HG GLU 51 23.187 3.725 -24.043 391 H ARG 52 H ARG 52 23.598 -0.334 -22.690 392 HA ARG 52 HA ARG 52 25.837 -2.023 -22.543 393 HB2 ARG 52 2HB ARG 52 24.114 -1.634 -20.731 394 HB3 ARG 52 3HB ARG 52 23.042 -2.720 -21.604 395 HG2 ARG 52 2HG ARG 52 24.705 -4.531 -21.349 396 HG3 ARG 52 3HG ARG 52 25.729 -3.434 -20.423 397 HD2 ARG 52 2HD ARG 52 23.862 -3.172 -18.786 398 HD3 ARG 52 3HD ARG 52 22.967 -4.405 -19.675 399 HE ARG 52 HE ARG 52 25.551 -4.897 -18.337 400 HH11 ARG 52 1HH1 ARG 52 22.416 -5.953 -19.307 401 HH12 ARG 52 2HH1 ARG 52 22.576 -7.487 -18.525 402 HH21 ARG 52 1HH2 ARG 52 25.736 -6.867 -17.336 403 HH22 ARG 52 2HH2 ARG 52 24.429 -7.995 -17.415 404 H LEU 53 H LEU 53 22.802 -2.341 -24.294 405 HA LEU 53 HA LEU 53 23.364 -5.026 -25.241 406 HB2 LEU 53 2HB LEU 53 21.208 -3.043 -25.990 407 HB3 LEU 53 3HB LEU 53 21.281 -4.697 -26.565 408 HG LEU 53 HG LEU 53 20.931 -3.867 -23.677 409 HD11 LEU 53 1HD1 LEU 53 18.648 -4.718 -23.931 410 HD12 LEU 53 2HD1 LEU 53 18.944 -5.002 -25.648 411 HD13 LEU 53 3HD1 LEU 53 18.959 -3.358 -25.008 412 HD21 LEU 53 3HD2 LEU 53 20.463 -6.252 -23.286 413 HD22 LEU 53 1HD2 LEU 53 22.110 -5.986 -23.855 414 HD23 LEU 53 2HD2 LEU 53 20.884 -6.602 -24.963 415 H ASP 54 H ASP 54 25.001 -2.450 -25.984 416 HA ASP 54 HA ASP 54 26.300 -1.780 -27.721 417 HB2 ASP 54 2HB ASP 54 26.620 -4.219 -28.091 418 HB3 ASP 54 3HB ASP 54 25.230 -4.221 -29.170 419 H ARG 55 H ARG 55 23.123 -1.509 -27.643 420 HA ARG 55 HA ARG 55 22.589 -0.639 -30.370 421 HB2 ARG 55 2HB ARG 55 20.845 -0.505 -27.894 422 HB3 ARG 55 3HB ARG 55 20.318 -0.180 -29.539 423 HG2 ARG 55 2HG ARG 55 21.331 -2.835 -28.520 424 HG3 ARG 55 3HG ARG 55 19.637 -2.403 -28.767 425 HD2 ARG 55 2HD ARG 55 21.783 -2.588 -30.887 426 HD3 ARG 55 3HD ARG 55 20.439 -3.707 -30.648 427 HE ARG 55 HE ARG 55 19.640 -0.975 -31.114 428 HH11 ARG 55 1HH1 ARG 55 20.472 -3.941 -32.657 429 HH12 ARG 55 2HH1 ARG 55 19.548 -3.578 -34.071 430 HH21 ARG 55 1HH2 ARG 55 18.474 -0.525 -32.919 431 HH22 ARG 55 2HH2 ARG 55 18.446 -1.659 -34.230 432 H THR 56 H THR 56 24.600 0.877 -29.669 433 HA THR 56 HA THR 56 24.356 3.092 -28.052 434 HB THR 56 HB THR 56 25.815 3.025 -30.707 435 HG1 THR 56 HG1 THR 56 27.502 2.136 -29.565 436 HG21 THR 56 3HG2 THR 56 27.309 4.681 -29.674 437 HG22 THR 56 1HG2 THR 56 26.297 4.698 -28.229 438 HG23 THR 56 2HG2 THR 56 25.656 5.288 -29.763 439 H ASP 57 H ASP 57 23.504 2.939 -31.522 440 HA ASP 57 HA ASP 57 22.682 5.615 -31.773 441 HB2 ASP 57 2HB ASP 57 23.161 4.263 -33.728 442 HB3 ASP 57 3HB ASP 57 21.835 3.168 -33.341 443 H ASP 58 H ASP 58 20.721 2.682 -31.152 444 HA ASP 58 HA ASP 58 18.209 3.877 -31.024 445 HB2 ASP 58 2HB ASP 58 19.216 1.529 -29.395 446 HB3 ASP 58 3HB ASP 58 17.524 1.932 -29.683 447 H ALA 59 H ALA 59 20.667 3.535 -28.494 448 HA ALA 59 HA ALA 59 19.268 4.657 -26.346 449 HB1 ALA 59 3HB ALA 59 22.215 4.908 -26.966 450 HB2 ALA 59 1HB ALA 59 21.454 3.563 -26.117 451 HB3 ALA 59 2HB ALA 59 21.458 5.173 -25.395 452 H ILE 60 H ILE 60 21.451 6.278 -28.666 453 HA ILE 60 HA ILE 60 21.114 8.920 -27.886 454 HB ILE 60 HB ILE 60 21.431 7.881 -30.716 455 HG12 ILE 60 2HG1 ILE 60 23.570 8.764 -28.754 456 HG13 ILE 60 3HG1 ILE 60 23.165 7.084 -29.092 457 HG21 ILE 60 1HG2 ILE 60 20.743 10.226 -30.679 458 HG22 ILE 60 2HG2 ILE 60 22.414 10.069 -31.222 459 HG23 ILE 60 3HG2 ILE 60 22.068 10.609 -29.579 460 HD11 ILE 60 3HD1 ILE 60 23.829 7.400 -31.424 461 HD12 ILE 60 1HD1 ILE 60 25.144 7.765 -30.306 462 HD13 ILE 60 2HD1 ILE 60 24.248 9.077 -31.072 463 H ASP 61 H ASP 61 19.202 7.117 -30.298 464 HA ASP 61 HA ASP 61 17.404 9.164 -30.971 465 HB2 ASP 61 2HB ASP 61 17.772 7.083 -32.278 466 HB3 ASP 61 3HB ASP 61 16.937 6.167 -31.026 467 H THR 62 H THR 62 17.364 6.841 -28.321 468 HA THR 62 HA THR 62 14.699 7.409 -27.435 469 HB THR 62 HB THR 62 17.026 6.172 -25.936 470 HG1 THR 62 HG1 THR 62 16.273 4.919 -27.698 471 HG21 THR 62 3HG2 THR 62 15.328 5.344 -24.350 472 HG22 THR 62 1HG2 THR 62 14.090 6.276 -25.195 473 HG23 THR 62 2HG2 THR 62 15.401 7.106 -24.356 474 H TYR 63 H TYR 63 17.922 8.512 -26.343 475 HA TYR 63 HA TYR 63 17.090 10.199 -24.272 476 HB2 TYR 63 2HB TYR 63 19.460 10.564 -26.131 477 HB3 TYR 63 3HB TYR 63 19.226 11.428 -24.617 478 HD1 TYR 63 HD1 TYR 63 18.502 9.466 -22.676 479 HD2 TYR 63 HD2 TYR 63 21.205 9.065 -25.945 480 HE1 TYR 63 HE1 TYR 63 19.694 7.686 -21.470 481 HE2 TYR 63 HE2 TYR 63 22.397 7.282 -24.748 482 HH TYR 63 HH TYR 63 22.719 6.417 -22.570 483 H ALA 64 H ALA 64 17.364 10.815 -27.744 484 HA ALA 64 HA ALA 64 17.078 13.569 -27.815 485 HB1 ALA 64 3HB ALA 64 16.012 11.577 -29.814 486 HB2 ALA 64 1HB ALA 64 17.660 12.201 -29.754 487 HB3 ALA 64 2HB ALA 64 16.318 13.289 -30.114 488 H GLN 65 H GLN 65 14.408 11.173 -28.086 489 HA GLN 65 HA GLN 65 12.363 13.164 -28.024 490 HB2 GLN 65 2HB GLN 65 12.224 10.734 -28.911 491 HB3 GLN 65 3HB GLN 65 11.950 10.273 -27.238 492 HG2 GLN 65 2HG GLN 65 10.243 12.321 -28.637 493 HG3 GLN 65 3HG GLN 65 9.906 10.597 -28.730 494 HE21 GLN 65 1HE2 GLN 65 10.655 10.001 -26.017 495 HE22 GLN 65 2HE2 GLN 65 9.426 10.671 -25.006 496 H GLY 66 H GLY 66 13.932 11.161 -25.566 497 HA2 GLY 66 2HA GLY 66 12.361 11.801 -23.345 498 HA3 GLY 66 3HA GLY 66 14.077 11.427 -23.285 499 H ILE 67 H ILE 67 14.994 13.634 -24.842 500 HA ILE 67 HA ILE 67 15.366 15.662 -22.972 501 HB ILE 67 HB ILE 67 15.527 15.681 -25.991 502 HG12 ILE 67 2HG1 ILE 67 17.658 15.695 -23.835 503 HG13 ILE 67 3HG1 ILE 67 17.177 14.301 -24.797 504 HG21 ILE 67 1HG2 ILE 67 16.384 17.909 -24.148 505 HG22 ILE 67 2HG2 ILE 67 15.041 17.968 -25.285 506 HG23 ILE 67 3HG2 ILE 67 16.694 17.825 -25.880 507 HD11 ILE 67 3HD1 ILE 67 19.252 15.250 -25.607 508 HD12 ILE 67 1HD1 ILE 67 18.469 16.812 -25.842 509 HD13 ILE 67 2HD1 ILE 67 17.979 15.424 -26.815 510 H GLU 68 H GLU 68 12.932 15.349 -25.504 511 HA GLU 68 HA GLU 68 11.790 17.916 -25.267 512 HB2 GLU 68 2HB GLU 68 10.468 15.352 -26.193 513 HB3 GLU 68 3HB GLU 68 9.931 16.990 -26.551 514 HG2 GLU 68 2HG GLU 68 12.022 17.389 -27.788 515 HG3 GLU 68 3HG GLU 68 12.522 15.735 -27.454 516 H VAL 69 H VAL 69 10.671 14.779 -23.924 517 HA VAL 69 HA VAL 69 8.583 15.969 -22.387 518 HB VAL 69 HB VAL 69 8.334 13.804 -21.287 519 HG11 VAL 69 1HG1 VAL 69 7.354 14.084 -23.497 520 HG12 VAL 69 2HG1 VAL 69 7.903 12.424 -23.269 521 HG13 VAL 69 3HG1 VAL 69 8.854 13.538 -24.251 522 HG21 VAL 69 3HG2 VAL 69 10.694 13.230 -20.985 523 HG22 VAL 69 1HG2 VAL 69 10.872 13.004 -22.727 524 HG23 VAL 69 2HG2 VAL 69 9.828 11.927 -21.798 525 H ALA 70 H ALA 70 11.977 15.456 -21.767 526 HA ALA 70 HA ALA 70 11.920 15.639 -18.930 527 HB1 ALA 70 3HB ALA 70 14.327 16.064 -19.098 528 HB2 ALA 70 1HB ALA 70 14.167 16.304 -20.838 529 HB3 ALA 70 2HB ALA 70 13.840 14.721 -20.133 530 H ARG 71 H ARG 71 12.671 18.076 -21.427 531 HA ARG 71 HA ARG 71 13.000 20.218 -19.588 532 HB2 ARG 71 2HB ARG 71 12.979 21.659 -21.582 533 HB3 ARG 71 3HB ARG 71 14.027 20.261 -21.785 534 HG2 ARG 71 2HG ARG 71 12.179 19.148 -23.052 535 HG3 ARG 71 3HG ARG 71 11.281 20.666 -22.970 536 HD2 ARG 71 2HD ARG 71 13.965 20.214 -24.280 537 HD3 ARG 71 3HD ARG 71 12.427 20.494 -25.097 538 HE ARG 71 HE ARG 71 12.543 22.723 -23.772 539 HH11 ARG 71 1HH1 ARG 71 15.189 21.072 -25.231 540 HH12 ARG 71 2HH1 ARG 71 16.098 22.516 -25.490 541 HH21 ARG 71 1HH2 ARG 71 13.711 24.575 -24.120 542 HH22 ARG 71 2HH2 ARG 71 15.259 24.482 -24.882 543 H GLU 72 H GLU 72 10.186 18.897 -21.181 544 HA GLU 72 HA GLU 72 8.530 21.214 -20.592 545 HB2 GLU 72 2HB GLU 72 7.870 18.520 -21.802 546 HB3 GLU 72 3HB GLU 72 6.702 19.816 -21.590 547 HG2 GLU 72 2HG GLU 72 9.222 20.092 -23.216 548 HG3 GLU 72 3HG GLU 72 7.664 19.612 -23.887 549 H GLU 73 H GLU 73 8.639 17.798 -19.557 550 HA GLU 73 HA GLU 73 6.577 18.352 -17.549 551 HB2 GLU 73 2HB GLU 73 7.738 15.692 -18.397 552 HB3 GLU 73 3HB GLU 73 6.299 15.948 -17.417 553 HG2 GLU 73 2HG GLU 73 6.594 16.859 -20.278 554 HG3 GLU 73 3HG GLU 73 5.844 15.343 -19.790 555 H GLY 74 H GLY 74 9.811 16.809 -17.728 556 HA2 GLY 74 2HA GLY 74 10.082 16.624 -14.870 557 HA3 GLY 74 3HA GLY 74 11.347 16.353 -16.059 558 H THR 75 H THR 75 12.926 17.528 -14.906 559 HA THR 75 HA THR 75 12.459 20.455 -14.812 560 HB THR 75 HB THR 75 12.798 19.636 -12.558 561 HG1 THR 75 HG1 THR 75 14.347 21.095 -12.021 562 HG21 THR 75 3HG2 THR 75 14.015 17.564 -13.050 563 HG22 THR 75 1HG2 THR 75 14.883 18.544 -11.867 564 HG23 THR 75 2HG2 THR 75 15.424 18.505 -13.545 565 H GLN 76 H GLN 76 14.533 21.760 -14.969 566 HA GLN 76 HA GLN 76 15.712 21.347 -17.472 567 HB2 GLN 76 2HB GLN 76 15.598 23.549 -16.436 568 HB3 GLN 76 3HB GLN 76 16.689 23.037 -15.156 569 HG2 GLN 76 2HG GLN 76 18.520 22.866 -16.685 570 HG3 GLN 76 3HG GLN 76 17.459 23.118 -18.069 571 HE21 GLN 76 1HE2 GLN 76 16.739 25.181 -18.536 572 HE22 GLN 76 2HE2 GLN 76 17.433 26.591 -17.819 573 H LYS 77 H LYS 77 16.734 20.235 -14.294 574 HA LYS 77 HA LYS 77 19.341 19.406 -14.891 575 HB2 LYS 77 2HB LYS 77 18.411 19.329 -12.616 576 HB3 LYS 77 3HB LYS 77 17.315 18.042 -13.098 577 HG2 LYS 77 2HG LYS 77 19.301 16.622 -13.608 578 HG3 LYS 77 3HG LYS 77 20.323 17.898 -12.942 579 HD2 LYS 77 2HD LYS 77 19.218 17.670 -10.776 580 HD3 LYS 77 3HD LYS 77 18.135 16.443 -11.440 581 HE2 LYS 77 2HE LYS 77 21.132 16.234 -11.124 582 HE3 LYS 77 3HE LYS 77 19.910 15.367 -10.195 583 HZ1 LYS 77 3HZ LYS 77 20.760 13.909 -11.854 584 HZ2 LYS 77 1HZ LYS 77 20.521 15.050 -13.081 585 HZ3 LYS 77 2HZ LYS 77 19.191 14.334 -12.319 586 H ASP 78 H ASP 78 16.283 17.587 -15.208 587 HA ASP 78 HA ASP 78 17.331 15.226 -16.287 588 HB2 ASP 78 2HB ASP 78 14.632 16.513 -16.749 589 HB3 ASP 78 3HB ASP 78 15.037 14.855 -17.174 590 H LEU 79 H LEU 79 16.167 18.158 -17.894 591 HA LEU 79 HA LEU 79 16.535 17.502 -20.557 592 HB2 LEU 79 2HB LEU 79 15.541 19.587 -19.941 593 HB3 LEU 79 3HB LEU 79 16.971 20.088 -19.061 594 HG LEU 79 HG LEU 79 18.200 20.244 -21.223 595 HD11 LEU 79 1HD1 LEU 79 15.490 19.705 -22.434 596 HD12 LEU 79 2HD1 LEU 79 16.912 18.665 -22.529 597 HD13 LEU 79 3HD1 LEU 79 16.923 20.244 -23.313 598 HD21 LEU 79 3HD2 LEU 79 17.225 22.234 -20.233 599 HD22 LEU 79 1HD2 LEU 79 15.685 21.903 -21.026 600 HD23 LEU 79 2HD2 LEU 79 17.107 22.304 -21.991 601 H SER 80 H SER 80 18.953 18.857 -18.301 602 HA SER 80 HA SER 80 21.116 18.821 -20.129 603 HB2 SER 80 2HB SER 80 21.119 20.203 -18.086 604 HB3 SER 80 3HB SER 80 21.220 18.744 -17.101 605 HG SER 80 HG SER 80 23.289 18.846 -17.373 606 H GLU 81 H GLU 81 19.992 16.422 -17.767 607 HA GLU 81 HA GLU 81 22.123 14.618 -17.834 608 HB2 GLU 81 2HB GLU 81 19.167 13.959 -17.633 609 HB3 GLU 81 3HB GLU 81 20.481 12.881 -17.197 610 HG2 GLU 81 2HG GLU 81 19.858 15.500 -15.847 611 HG3 GLU 81 3HG GLU 81 19.390 13.910 -15.256 612 H LEU 82 H LEU 82 19.197 14.664 -19.860 613 HA LEU 82 HA LEU 82 19.994 12.398 -21.414 614 HB2 LEU 82 2HB LEU 82 17.811 14.434 -21.864 615 HB3 LEU 82 3HB LEU 82 17.994 12.943 -22.773 616 HG LEU 82 HG LEU 82 17.505 13.085 -19.788 617 HD11 LEU 82 1HD1 LEU 82 15.594 12.414 -22.021 618 HD12 LEU 82 2HD1 LEU 82 15.561 13.866 -21.018 619 HD13 LEU 82 3HD1 LEU 82 15.257 12.288 -20.293 620 HD21 LEU 82 3HD2 LEU 82 17.096 10.681 -19.964 621 HD22 LEU 82 1HD2 LEU 82 18.737 11.087 -20.468 622 HD23 LEU 82 2HD2 LEU 82 17.505 10.731 -21.679 623 H GLN 83 H GLN 83 20.129 15.918 -21.965 624 HA GLN 83 HA GLN 83 21.063 15.881 -24.611 625 HB2 GLN 83 2HB GLN 83 21.722 17.797 -22.359 626 HB3 GLN 83 3HB GLN 83 22.208 18.054 -24.029 627 HG2 GLN 83 2HG GLN 83 19.863 18.116 -24.712 628 HG3 GLN 83 3HG GLN 83 19.365 17.838 -23.045 629 HE21 GLN 83 1HE2 GLN 83 21.501 19.577 -21.992 630 HE22 GLN 83 2HE2 GLN 83 20.982 21.192 -22.313 631 H ASP 84 H ASP 84 22.918 15.831 -21.573 632 HA ASP 84 HA ASP 84 25.475 15.501 -22.688 633 HB2 ASP 84 2HB ASP 84 25.206 16.140 -20.371 634 HB3 ASP 84 3HB ASP 84 24.336 14.654 -20.012 635 H ALA 85 H ALA 85 23.081 13.100 -21.624 636 HA ALA 85 HA ALA 85 24.589 10.785 -21.835 637 HB1 ALA 85 3HB ALA 85 21.642 11.076 -22.419 638 HB2 ALA 85 1HB ALA 85 22.362 10.900 -20.819 639 HB3 ALA 85 2HB ALA 85 22.481 9.584 -21.987 640 H LYS 86 H LYS 86 22.510 12.206 -24.412 641 HA LYS 86 HA LYS 86 23.397 10.277 -26.343 642 HB2 LYS 86 2HB LYS 86 22.164 11.553 -27.991 643 HB3 LYS 86 3HB LYS 86 21.198 11.374 -26.536 644 HG2 LYS 86 2HG LYS 86 21.703 13.662 -25.883 645 HG3 LYS 86 3HG LYS 86 22.749 13.850 -27.293 646 HD2 LYS 86 2HD LYS 86 19.787 13.243 -27.411 647 HD3 LYS 86 3HD LYS 86 20.490 14.851 -27.594 648 HE2 LYS 86 2HE LYS 86 21.108 12.489 -29.381 649 HE3 LYS 86 3HE LYS 86 19.933 13.748 -29.757 650 HZ1 LYS 86 3HZ LYS 86 21.765 15.373 -29.629 651 HZ2 LYS 86 1HZ LYS 86 21.984 14.232 -30.854 652 HZ3 LYS 86 2HZ LYS 86 22.866 14.106 -29.420 653 H LEU 87 H LEU 87 24.391 13.534 -25.466 654 HA LEU 87 HA LEU 87 25.954 14.222 -27.660 655 HB2 LEU 87 2HB LEU 87 25.391 15.760 -25.838 656 HB3 LEU 87 3HB LEU 87 26.416 14.856 -24.740 657 HG LEU 87 HG LEU 87 28.391 15.489 -26.095 658 HD11 LEU 87 1HD1 LEU 87 26.438 17.209 -27.629 659 HD12 LEU 87 2HD1 LEU 87 27.284 15.792 -28.252 660 HD13 LEU 87 3HD1 LEU 87 28.194 17.231 -27.797 661 HD21 LEU 87 3HD2 LEU 87 28.447 17.845 -25.398 662 HD22 LEU 87 1HD2 LEU 87 27.789 16.800 -24.138 663 HD23 LEU 87 2HD2 LEU 87 26.707 17.796 -25.113 664 H LYS 88 H LYS 88 27.039 12.602 -24.655 665 HA LYS 88 HA LYS 88 29.665 12.109 -25.639 666 HB2 LYS 88 2HB LYS 88 29.925 10.650 -23.665 667 HB3 LYS 88 3HB LYS 88 29.266 12.223 -23.257 668 HG2 LYS 88 2HG LYS 88 27.956 10.865 -21.966 669 HG3 LYS 88 3HG LYS 88 26.964 10.980 -23.419 670 HD2 LYS 88 2HD LYS 88 27.854 8.824 -24.194 671 HD3 LYS 88 3HD LYS 88 28.859 8.716 -22.749 672 HE2 LYS 88 2HE LYS 88 26.816 8.719 -21.360 673 HE3 LYS 88 3HE LYS 88 25.838 8.759 -22.827 674 HZ1 LYS 88 3HZ LYS 88 25.991 6.520 -22.052 675 HZ2 LYS 88 1HZ LYS 88 27.680 6.591 -21.983 676 HZ3 LYS 88 2HZ LYS 88 26.888 6.639 -23.475 677 H ALA 89 H ALA 89 26.664 10.289 -25.790 678 HA ALA 89 HA ALA 89 27.728 7.800 -26.597 679 HB1 ALA 89 3HB ALA 89 25.028 8.979 -27.263 680 HB2 ALA 89 1HB ALA 89 25.426 8.078 -25.800 681 HB3 ALA 89 2HB ALA 89 25.479 7.276 -27.370 682 H GLU 90 H GLU 90 26.657 10.619 -28.482 683 HA GLU 90 HA GLU 90 27.130 9.514 -31.045 684 HB2 GLU 90 2HB GLU 90 27.136 12.408 -30.150 685 HB3 GLU 90 3HB GLU 90 27.115 11.877 -31.826 686 HG2 GLU 90 2HG GLU 90 24.953 10.772 -31.438 687 HG3 GLU 90 3HG GLU 90 24.975 11.346 -29.772 688 H GLY 91 H GLY 91 29.273 10.612 -28.616 689 HA2 GLY 91 2HA GLY 91 31.503 10.962 -30.505 690 HA3 GLY 91 3HA GLY 91 31.511 11.404 -28.806 691 H LEU 92 H LEU 92 30.133 8.364 -29.065 692 HA LEU 92 HA LEU 92 32.475 7.076 -27.991 693 HB2 LEU 92 2HB LEU 92 29.769 5.960 -28.748 694 HB3 LEU 92 3HB LEU 92 31.035 5.031 -27.966 695 HG LEU 92 HG LEU 92 29.604 7.424 -26.794 696 HD11 LEU 92 1HD1 LEU 92 28.689 5.813 -25.199 697 HD12 LEU 92 2HD1 LEU 92 29.497 4.499 -26.053 698 HD13 LEU 92 3HD1 LEU 92 28.222 5.417 -26.853 699 HD21 LEU 92 3HD2 LEU 92 31.765 5.683 -25.601 700 HD22 LEU 92 1HD2 LEU 92 30.855 6.925 -24.740 701 HD23 LEU 92 2HD2 LEU 92 31.927 7.378 -26.065 702 H GLU 93 H GLU 93 30.503 6.487 -30.922 703 HA GLU 93 HA GLU 93 32.916 5.609 -32.318 704 HB2 GLU 93 2HB GLU 93 31.657 3.596 -33.217 705 HB3 GLU 93 3HB GLU 93 32.157 3.512 -31.537 706 HG2 GLU 93 2HG GLU 93 29.975 2.615 -31.656 707 HG3 GLU 93 3HG GLU 93 29.836 4.198 -30.893 708 H HIS 94 H HIS 94 31.800 4.714 -34.676 709 HA HIS 94 HA HIS 94 30.929 7.295 -35.777 710 HB2 HIS 94 2HB HIS 94 33.045 6.348 -36.591 711 HB3 HIS 94 3HB HIS 94 32.211 4.890 -37.104 712 HD1 HIS 94 HD1 HIS 94 31.008 4.941 -39.320 713 HD2 HIS 94 HD2 HIS 94 32.612 8.622 -38.253 714 HE1 HIS 94 HE1 HIS 94 30.846 6.367 -41.380 715 HE2 HIS 94 HE2 HIS 94 31.929 8.542 -40.751 716 H HIS 95 H HIS 95 28.771 6.192 -34.690 717 HA HIS 95 HA HIS 95 27.209 4.407 -36.100 718 HB2 HIS 95 2HB HIS 95 25.235 5.641 -35.179 719 HB3 HIS 95 3HB HIS 95 26.461 5.254 -33.978 720 HD1 HIS 95 HD1 HIS 95 24.446 7.996 -35.167 721 HD2 HIS 95 HD2 HIS 95 28.204 7.614 -33.435 722 HE1 HIS 95 HE1 HIS 95 25.019 10.271 -34.292 723 HE2 HIS 95 HE2 HIS 95 27.392 10.067 -33.505 724 H HIS 96 H HIS 96 26.857 4.362 -38.225 725 HA HIS 96 HA HIS 96 25.789 6.781 -39.527 726 HB2 HIS 96 2HB HIS 96 28.154 6.590 -40.160 727 HB3 HIS 96 3HB HIS 96 27.891 4.938 -40.706 728 HD1 HIS 96 HD1 HIS 96 27.312 4.663 -43.101 729 HD2 HIS 96 HD2 HIS 96 26.656 8.547 -41.778 730 HE1 HIS 96 HE1 HIS 96 26.703 5.976 -45.150 731 HE2 HIS 96 HE2 HIS 96 26.428 8.342 -44.345 732 H HIS 97 H HIS 97 23.777 6.312 -40.159 733 HA HIS 97 HA HIS 97 22.926 3.566 -40.507 734 HB2 HIS 97 2HB HIS 97 21.583 6.188 -40.189 735 HB3 HIS 97 3HB HIS 97 20.701 4.982 -41.113 736 HD1 HIS 97 HD1 HIS 97 19.915 2.843 -39.835 737 HD2 HIS 97 HD2 HIS 97 21.701 5.742 -37.447 738 HE1 HIS 97 HE1 HIS 97 19.335 2.228 -37.478 739 HE2 HIS 97 HE2 HIS 97 20.243 4.103 -36.086 740 H HIS 98 H HIS 98 22.655 2.500 -42.358 741 HA HIS 98 HA HIS 98 21.774 4.035 -44.723 742 HB2 HIS 98 2HB HIS 98 24.012 3.008 -45.141 743 HB3 HIS 98 3HB HIS 98 23.326 1.422 -44.798 744 HD1 HIS 98 HD1 HIS 98 23.612 3.994 -47.457 745 HD2 HIS 98 HD2 HIS 98 21.516 0.461 -46.808 746 HE1 HIS 98 HE1 HIS 98 22.678 3.343 -49.692 747 HE2 HIS 98 HE2 HIS 98 21.266 1.314 -49.233 748 H HIS 99 H HIS 99 21.657 0.907 -43.029 749 HA HIS 99 HA HIS 99 18.974 0.329 -43.938 750 HB2 HIS 99 2HB HIS 99 20.478 -1.524 -43.427 751 HB3 HIS 99 3HB HIS 99 20.686 -0.943 -41.778 752 HD1 HIS 99 HD1 HIS 99 18.420 -2.935 -43.932 753 HD2 HIS 99 HD2 HIS 99 18.431 -1.392 -40.073 754 HE1 HIS 99 HE1 HIS 99 16.564 -4.118 -42.728 755 HE2 HIS 99 HE2 HIS 99 16.675 -3.267 -40.361 Start of MODEL 5 1 H1 GLU 1 1H GLU 1 1.072 3.074 -3.277 2 H2 GLU 1 2H GLU 1 1.375 3.565 -4.868 3 H3 GLU 1 3H GLU 1 1.835 4.551 -3.582 4 HA GLU 1 HA GLU 1 3.730 3.392 -4.557 5 HB2 GLU 1 2HB GLU 1 3.014 2.563 -1.732 6 HB3 GLU 1 3HB GLU 1 4.634 2.522 -2.416 7 HG2 GLU 1 2HG GLU 1 4.632 4.931 -2.656 8 HG3 GLU 1 3HG GLU 1 2.966 5.012 -2.083 9 H ASP 2 H ASP 2 1.261 1.701 -5.191 10 HA ASP 2 HA ASP 2 2.149 -1.010 -4.577 11 HB2 ASP 2 2HB ASP 2 -0.240 -0.054 -6.178 12 HB3 ASP 2 3HB ASP 2 0.029 -1.690 -5.583 13 HA PRO 3 HA PRO 3 4.159 -2.316 -8.320 14 HB2 PRO 3 2HB PRO 3 1.698 -3.871 -9.054 15 HB3 PRO 3 3HB PRO 3 3.395 -4.373 -9.079 16 HG2 PRO 3 2HG PRO 3 1.818 -5.130 -7.086 17 HG3 PRO 3 3HG PRO 3 3.489 -4.628 -6.762 18 HD2 PRO 3 2HD PRO 3 0.937 -3.168 -6.256 19 HD3 PRO 3 3HD PRO 3 2.454 -3.143 -5.337 20 H GLU 4 H GLU 4 0.917 -0.997 -8.714 21 HA GLU 4 HA GLU 4 1.220 -0.625 -11.572 22 HB2 GLU 4 2HB GLU 4 -0.951 0.395 -9.723 23 HB3 GLU 4 3HB GLU 4 -0.999 0.399 -11.483 24 HG2 GLU 4 2HG GLU 4 -0.768 -2.115 -11.372 25 HG3 GLU 4 3HG GLU 4 -1.050 -1.977 -9.638 26 H ASP 5 H ASP 5 1.726 1.280 -8.688 27 HA ASP 5 HA ASP 5 1.742 3.867 -9.753 28 HB2 ASP 5 2HB ASP 5 3.431 2.669 -7.539 29 HB3 ASP 5 3HB ASP 5 3.310 4.395 -7.871 30 HA PRO 6 HA PRO 6 4.910 3.827 -12.857 31 HB2 PRO 6 2HB PRO 6 5.907 6.421 -12.303 32 HB3 PRO 6 3HB PRO 6 4.660 5.990 -13.476 33 HG2 PRO 6 2HG PRO 6 4.371 7.007 -10.686 34 HG3 PRO 6 3HG PRO 6 3.361 7.324 -12.109 35 HD2 PRO 6 2HD PRO 6 2.525 5.667 -10.190 36 HD3 PRO 6 3HD PRO 6 2.220 5.291 -11.901 37 H PHE 7 H PHE 7 5.909 5.190 -9.698 38 HA PHE 7 HA PHE 7 8.677 4.724 -10.120 39 HB2 PHE 7 2HB PHE 7 7.898 6.382 -8.503 40 HB3 PHE 7 3HB PHE 7 7.175 5.110 -7.523 41 HD1 PHE 7 HD2 PHE 7 10.417 6.328 -8.859 42 HD2 PHE 7 HD1 PHE 7 8.442 4.008 -5.880 43 HE1 PHE 7 HE2 PHE 7 12.547 6.053 -7.665 44 HE2 PHE 7 HE1 PHE 7 10.573 3.728 -4.686 45 HZ PHE 7 HZ PHE 7 12.627 4.752 -5.577 46 H THR 8 H THR 8 6.151 2.787 -8.541 47 HA THR 8 HA THR 8 7.907 0.890 -7.372 48 HB THR 8 HB THR 8 5.018 0.435 -8.167 49 HG1 THR 8 HG1 THR 8 4.997 0.882 -5.671 50 HG21 THR 8 3HG2 THR 8 6.779 -0.933 -6.120 51 HG22 THR 8 1HG2 THR 8 6.189 -1.640 -7.624 52 HG23 THR 8 2HG2 THR 8 5.054 -1.228 -6.338 53 H ARG 9 H ARG 9 5.841 0.578 -10.290 54 HA ARG 9 HA ARG 9 6.905 -1.839 -11.207 55 HB2 ARG 9 2HB ARG 9 6.158 -0.953 -13.530 56 HB3 ARG 9 3HB ARG 9 4.947 -1.211 -12.283 57 HG2 ARG 9 2HG ARG 9 5.225 1.283 -11.752 58 HG3 ARG 9 3HG ARG 9 6.064 1.388 -13.296 59 HD2 ARG 9 2HD ARG 9 3.414 0.032 -13.256 60 HD3 ARG 9 3HD ARG 9 3.433 1.779 -13.042 61 HE ARG 9 HE ARG 9 4.589 1.906 -15.203 62 HH11 ARG 9 1HH1 ARG 9 2.931 -1.031 -14.485 63 HH12 ARG 9 2HH1 ARG 9 2.557 -1.347 -16.139 64 HH21 ARG 9 1HH2 ARG 9 4.050 1.513 -17.317 65 HH22 ARG 9 2HH2 ARG 9 3.184 0.073 -17.723 66 H TYR 10 H TYR 10 8.146 1.436 -11.607 67 HA TYR 10 HA TYR 10 10.319 0.802 -13.313 68 HB2 TYR 10 2HB TYR 10 9.756 3.100 -13.042 69 HB3 TYR 10 3HB TYR 10 9.859 2.999 -11.289 70 HD1 TYR 10 HD1 TYR 10 11.965 2.776 -14.373 71 HD2 TYR 10 HD2 TYR 10 11.837 3.614 -10.196 72 HE1 TYR 10 HE1 TYR 10 14.294 3.558 -14.458 73 HE2 TYR 10 HE2 TYR 10 14.165 4.395 -10.278 74 HH TYR 10 HH TYR 10 16.123 4.202 -11.607 75 H ALA 11 H ALA 11 10.036 0.874 -9.770 76 HA ALA 11 HA ALA 11 12.705 0.272 -9.142 77 HB1 ALA 11 3HB ALA 11 11.115 1.129 -7.495 78 HB2 ALA 11 1HB ALA 11 11.861 -0.368 -6.935 79 HB3 ALA 11 2HB ALA 11 10.213 -0.385 -7.564 80 H LEU 12 H LEU 12 9.898 -1.902 -9.554 81 HA LEU 12 HA LEU 12 11.278 -4.317 -9.083 82 HB2 LEU 12 2HB LEU 12 8.728 -3.650 -10.520 83 HB3 LEU 12 3HB LEU 12 9.369 -5.279 -10.592 84 HG LEU 12 HG LEU 12 7.678 -5.142 -8.869 85 HD11 LEU 12 1HD1 LEU 12 8.934 -5.985 -6.959 86 HD12 LEU 12 2HD1 LEU 12 10.428 -5.341 -7.642 87 HD13 LEU 12 3HD1 LEU 12 9.565 -6.639 -8.469 88 HD21 LEU 12 3HD2 LEU 12 7.924 -3.711 -6.903 89 HD22 LEU 12 1HD2 LEU 12 7.812 -2.752 -8.378 90 HD23 LEU 12 2HD2 LEU 12 9.376 -2.990 -7.598 91 H ALA 13 H ALA 13 10.830 -2.426 -12.045 92 HA ALA 13 HA ALA 13 11.920 -4.182 -13.908 93 HB1 ALA 13 3HB ALA 13 12.514 -2.215 -15.227 94 HB2 ALA 13 1HB ALA 13 12.292 -1.183 -13.811 95 HB3 ALA 13 2HB ALA 13 10.913 -2.028 -14.513 96 H GLN 14 H GLN 14 13.634 -1.787 -11.892 97 HA GLN 14 HA GLN 14 16.250 -2.533 -12.641 98 HB2 GLN 14 2HB GLN 14 15.350 -1.361 -9.996 99 HB3 GLN 14 3HB GLN 14 16.988 -1.339 -10.640 100 HG2 GLN 14 2HG GLN 14 16.182 0.039 -12.532 101 HG3 GLN 14 3HG GLN 14 14.584 0.078 -11.787 102 HE21 GLN 14 1HE2 GLN 14 17.841 1.255 -11.642 103 HE22 GLN 14 2HE2 GLN 14 17.564 2.465 -10.443 104 H GLU 15 H GLU 15 14.093 -3.757 -10.104 105 HA GLU 15 HA GLU 15 15.839 -5.477 -8.765 106 HB2 GLU 15 2HB GLU 15 12.883 -5.738 -9.347 107 HB3 GLU 15 3HB GLU 15 13.752 -6.892 -8.348 108 HG2 GLU 15 2HG GLU 15 13.557 -3.941 -7.775 109 HG3 GLU 15 3HG GLU 15 12.526 -5.177 -7.059 110 H HIS 16 H HIS 16 13.921 -6.083 -11.710 111 HA HIS 16 HA HIS 16 14.733 -8.758 -12.059 112 HB2 HIS 16 2HB HIS 16 13.707 -6.702 -14.012 113 HB3 HIS 16 3HB HIS 16 14.107 -8.344 -14.506 114 HD1 HIS 16 HD1 HIS 16 12.626 -10.289 -13.459 115 HD2 HIS 16 HD2 HIS 16 11.274 -6.425 -12.722 116 HE1 HIS 16 HE1 HIS 16 10.280 -10.540 -12.621 117 HE2 HIS 16 HE2 HIS 16 9.554 -8.218 -12.015 118 H LEU 17 H LEU 17 16.197 -5.722 -13.251 119 HA LEU 17 HA LEU 17 18.329 -6.825 -14.687 120 HB2 LEU 17 2HB LEU 17 18.222 -4.321 -12.999 121 HB3 LEU 17 3HB LEU 17 19.589 -4.737 -14.017 122 HG LEU 17 HG LEU 17 16.776 -4.241 -15.015 123 HD11 LEU 17 1HD1 LEU 17 17.672 -2.159 -15.926 124 HD12 LEU 17 2HD1 LEU 17 19.233 -2.489 -15.172 125 HD13 LEU 17 3HD1 LEU 17 17.812 -2.195 -14.168 126 HD21 LEU 17 3HD2 LEU 17 17.998 -5.808 -16.426 127 HD22 LEU 17 1HD2 LEU 17 19.367 -4.699 -16.506 128 HD23 LEU 17 2HD2 LEU 17 17.827 -4.253 -17.241 129 H LYS 18 H LYS 18 18.108 -6.082 -11.218 130 HA LYS 18 HA LYS 18 20.640 -6.976 -10.416 131 HB2 LYS 18 2HB LYS 18 18.026 -7.087 -8.885 132 HB3 LYS 18 3HB LYS 18 19.628 -7.221 -8.174 133 HG2 LYS 18 2HG LYS 18 20.146 -4.953 -8.727 134 HG3 LYS 18 3HG LYS 18 18.673 -4.796 -9.689 135 HD2 LYS 18 2HD LYS 18 17.328 -5.143 -7.644 136 HD3 LYS 18 3HD LYS 18 18.816 -5.239 -6.699 137 HE2 LYS 18 2HE LYS 18 19.366 -2.950 -7.271 138 HE3 LYS 18 3HE LYS 18 17.963 -2.849 -8.336 139 HZ1 LYS 18 3HZ LYS 18 16.515 -3.100 -6.445 140 HZ2 LYS 18 1HZ LYS 18 17.576 -1.810 -6.169 141 HZ3 LYS 18 2HZ LYS 18 17.834 -3.295 -5.404 142 H HIS 19 H HIS 19 17.648 -8.755 -10.989 143 HA HIS 19 HA HIS 19 18.882 -11.273 -10.129 144 HB2 HIS 19 2HB HIS 19 16.036 -10.555 -10.858 145 HB3 HIS 19 3HB HIS 19 16.554 -12.196 -10.486 146 HD1 HIS 19 HD1 HIS 19 17.365 -12.635 -8.002 147 HD2 HIS 19 HD2 HIS 19 15.575 -8.940 -8.647 148 HE1 HIS 19 HE1 HIS 19 16.821 -11.745 -5.724 149 HE2 HIS 19 HE2 HIS 19 15.710 -9.528 -6.131 150 H ASP 20 H ASP 20 19.667 -9.888 -12.656 151 HA ASP 20 HA ASP 20 20.505 -10.576 -14.652 152 HB2 ASP 20 2HB ASP 20 19.577 -13.325 -13.784 153 HB3 ASP 20 3HB ASP 20 20.689 -12.989 -15.109 154 H ASN 21 H ASN 21 17.331 -10.396 -14.094 155 HA ASN 21 HA ASN 21 16.344 -11.559 -16.566 156 HB2 ASN 21 2HB ASN 21 14.961 -9.915 -14.427 157 HB3 ASN 21 3HB ASN 21 14.153 -10.655 -15.803 158 HD21 ASN 21 1HD2 ASN 21 15.507 -13.080 -15.856 159 HD22 ASN 21 2HD2 ASN 21 15.069 -13.980 -14.450 160 H ALA 22 H ALA 22 17.944 -10.111 -17.760 161 HA ALA 22 HA ALA 22 17.617 -7.304 -17.878 162 HB1 ALA 22 3HB ALA 22 19.006 -7.409 -19.889 163 HB2 ALA 22 1HB ALA 22 18.779 -9.157 -19.964 164 HB3 ALA 22 2HB ALA 22 19.657 -8.440 -18.614 165 H SER 23 H SER 23 16.386 -9.882 -20.016 166 HA SER 23 HA SER 23 15.022 -8.206 -21.829 167 HB2 SER 23 2HB SER 23 15.506 -10.547 -22.360 168 HB3 SER 23 3HB SER 23 14.421 -11.083 -21.078 169 HG SER 23 HG SER 23 13.400 -11.135 -23.117 170 H ARG 24 H ARG 24 13.880 -9.844 -18.889 171 HA ARG 24 HA ARG 24 11.194 -9.039 -18.968 172 HB2 ARG 24 2HB ARG 24 13.015 -9.608 -16.622 173 HB3 ARG 24 3HB ARG 24 11.284 -9.379 -16.467 174 HG2 ARG 24 2HG ARG 24 12.579 -11.541 -18.125 175 HG3 ARG 24 3HG ARG 24 11.978 -11.754 -16.481 176 HD2 ARG 24 2HD ARG 24 9.722 -11.038 -17.285 177 HD3 ARG 24 3HD ARG 24 10.365 -11.028 -18.928 178 HE ARG 24 HE ARG 24 10.932 -13.529 -17.972 179 HH11 ARG 24 1HH1 ARG 24 8.051 -11.664 -18.347 180 HH12 ARG 24 2HH1 ARG 24 7.054 -13.061 -18.548 181 HH21 ARG 24 1HH2 ARG 24 9.629 -15.302 -18.235 182 HH22 ARG 24 2HH2 ARG 24 7.929 -15.084 -18.486 183 H ALA 25 H ALA 25 13.991 -7.481 -17.393 184 HA ALA 25 HA ALA 25 12.654 -5.239 -16.365 185 HB1 ALA 25 3HB ALA 25 15.515 -5.423 -17.310 186 HB2 ALA 25 1HB ALA 25 14.925 -5.885 -15.712 187 HB3 ALA 25 2HB ALA 25 14.852 -4.199 -16.225 188 H LEU 26 H LEU 26 14.385 -5.631 -19.461 189 HA LEU 26 HA LEU 26 14.009 -3.116 -20.553 190 HB2 LEU 26 2HB LEU 26 15.407 -4.883 -21.547 191 HB3 LEU 26 3HB LEU 26 13.967 -5.784 -21.980 192 HG LEU 26 HG LEU 26 13.307 -3.993 -23.537 193 HD11 LEU 26 1HD1 LEU 26 14.869 -2.183 -24.058 194 HD12 LEU 26 2HD1 LEU 26 15.916 -2.707 -22.736 195 HD13 LEU 26 3HD1 LEU 26 14.297 -2.094 -22.394 196 HD21 LEU 26 3HD2 LEU 26 14.666 -5.855 -24.357 197 HD22 LEU 26 1HD2 LEU 26 16.136 -4.965 -23.955 198 HD23 LEU 26 2HD2 LEU 26 15.053 -4.361 -25.209 199 H ALA 27 H ALA 27 11.854 -5.948 -20.887 200 HA ALA 27 HA ALA 27 9.805 -4.734 -22.340 201 HB1 ALA 27 3HB ALA 27 8.357 -6.515 -21.497 202 HB2 ALA 27 1HB ALA 27 9.553 -6.913 -20.262 203 HB3 ALA 27 2HB ALA 27 9.935 -7.146 -21.969 204 H LEU 28 H LEU 28 10.317 -4.828 -18.817 205 HA LEU 28 HA LEU 28 7.933 -3.509 -18.084 206 HB2 LEU 28 2HB LEU 28 10.603 -3.755 -16.711 207 HB3 LEU 28 3HB LEU 28 9.273 -2.862 -15.995 208 HG LEU 28 HG LEU 28 9.240 -5.808 -16.695 209 HD11 LEU 28 1HD1 LEU 28 9.350 -4.415 -14.016 210 HD12 LEU 28 2HD1 LEU 28 10.659 -5.325 -14.775 211 HD13 LEU 28 3HD1 LEU 28 9.187 -6.154 -14.272 212 HD21 LEU 28 3HD2 LEU 28 7.083 -5.829 -15.494 213 HD22 LEU 28 1HD2 LEU 28 7.028 -4.837 -16.951 214 HD23 LEU 28 2HD2 LEU 28 7.150 -4.071 -15.366 215 H PHE 29 H PHE 29 11.190 -2.175 -18.750 216 HA PHE 29 HA PHE 29 10.564 0.510 -18.223 217 HB2 PHE 29 2HB PHE 29 12.610 -0.729 -20.064 218 HB3 PHE 29 3HB PHE 29 12.485 1.011 -19.834 219 HD1 PHE 29 HD2 PHE 29 12.477 1.766 -17.286 220 HD2 PHE 29 HD1 PHE 29 14.115 -1.887 -18.743 221 HE1 PHE 29 HE2 PHE 29 13.907 1.615 -15.291 222 HE2 PHE 29 HE1 PHE 29 15.548 -2.042 -16.750 223 HZ PHE 29 HZ PHE 29 15.445 -0.290 -15.021 224 H GLU 30 H GLU 30 10.375 -1.292 -21.304 225 HA GLU 30 HA GLU 30 9.346 0.829 -22.863 226 HB2 GLU 30 2HB GLU 30 8.943 -2.163 -23.170 227 HB3 GLU 30 3HB GLU 30 8.551 -0.968 -24.400 228 HG2 GLU 30 2HG GLU 30 10.944 -0.291 -24.434 229 HG3 GLU 30 3HG GLU 30 11.292 -1.602 -23.310 230 H GLU 31 H GLU 31 7.789 -1.530 -20.773 231 HA GLU 31 HA GLU 31 5.087 -0.830 -21.232 232 HB2 GLU 31 2HB GLU 31 5.490 -2.867 -20.123 233 HB3 GLU 31 3HB GLU 31 6.596 -2.137 -18.977 234 HG2 GLU 31 2HG GLU 31 4.634 -2.744 -17.802 235 HG3 GLU 31 3HG GLU 31 4.654 -0.990 -17.925 236 H LEU 32 H LEU 32 7.556 0.540 -19.087 237 HA LEU 32 HA LEU 32 5.870 2.291 -17.632 238 HB2 LEU 32 2HB LEU 32 8.792 2.689 -18.302 239 HB3 LEU 32 3HB LEU 32 7.904 3.501 -17.028 240 HG LEU 32 HG LEU 32 8.612 0.564 -17.132 241 HD11 LEU 32 1HD1 LEU 32 10.496 2.001 -16.600 242 HD12 LEU 32 2HD1 LEU 32 9.990 1.084 -15.182 243 HD13 LEU 32 3HD1 LEU 32 9.559 2.789 -15.329 244 HD21 LEU 32 3HD2 LEU 32 7.086 2.088 -15.017 245 HD22 LEU 32 1HD2 LEU 32 7.627 0.413 -14.898 246 HD23 LEU 32 2HD2 LEU 32 6.420 0.865 -16.101 247 H VAL 33 H VAL 33 7.689 2.704 -20.641 248 HA VAL 33 HA VAL 33 7.383 5.481 -20.929 249 HB VAL 33 HB VAL 33 7.689 3.408 -23.119 250 HG11 VAL 33 1HG1 VAL 33 8.574 5.257 -24.482 251 HG12 VAL 33 2HG1 VAL 33 8.194 6.392 -23.187 252 HG13 VAL 33 3HG1 VAL 33 6.895 5.539 -24.019 253 HG21 VAL 33 3HG2 VAL 33 10.087 3.970 -23.010 254 HG22 VAL 33 1HG2 VAL 33 9.498 3.286 -21.493 255 HG23 VAL 33 2HG2 VAL 33 9.770 5.023 -21.630 256 H GLU 34 H GLU 34 5.342 2.833 -22.189 257 HA GLU 34 HA GLU 34 3.625 4.575 -23.657 258 HB2 GLU 34 2HB GLU 34 2.153 2.581 -23.898 259 HB3 GLU 34 3HB GLU 34 3.819 2.303 -24.383 260 HG2 GLU 34 2HG GLU 34 4.243 1.206 -22.214 261 HG3 GLU 34 3HG GLU 34 2.545 1.432 -21.794 262 H THR 35 H THR 35 3.441 3.227 -20.375 263 HA THR 35 HA THR 35 0.772 4.241 -19.918 264 HB THR 35 HB THR 35 1.112 3.621 -17.559 265 HG1 THR 35 HG1 THR 35 3.226 3.970 -17.111 266 HG21 THR 35 3HG2 THR 35 0.398 1.905 -19.157 267 HG22 THR 35 1HG2 THR 35 1.407 1.212 -17.886 268 HG23 THR 35 2HG2 THR 35 2.084 1.504 -19.488 269 H ASP 36 H ASP 36 4.050 5.294 -19.032 270 HA ASP 36 HA ASP 36 2.936 7.932 -18.309 271 HB2 ASP 36 2HB ASP 36 5.152 6.446 -16.871 272 HB3 ASP 36 3HB ASP 36 4.670 8.105 -16.532 273 HA PRO 37 HA PRO 37 6.175 8.386 -21.652 274 HB2 PRO 37 2HB PRO 37 4.349 10.551 -22.520 275 HB3 PRO 37 3HB PRO 37 5.034 9.217 -23.453 276 HG2 PRO 37 2HG PRO 37 2.441 9.246 -22.776 277 HG3 PRO 37 3HG PRO 37 3.369 7.733 -22.811 278 HD2 PRO 37 2HD PRO 37 2.589 9.426 -20.451 279 HD3 PRO 37 3HD PRO 37 2.552 7.657 -20.632 280 H ASP 38 H ASP 38 4.828 10.445 -19.259 281 HA ASP 38 HA ASP 38 6.637 12.669 -19.764 282 HB2 ASP 38 2HB ASP 38 5.514 13.631 -17.718 283 HB3 ASP 38 3HB ASP 38 4.427 13.263 -19.054 284 H TYR 39 H TYR 39 6.854 9.727 -18.134 285 HA TYR 39 HA TYR 39 8.355 10.655 -15.847 286 HB2 TYR 39 2HB TYR 39 6.836 8.585 -15.954 287 HB3 TYR 39 3HB TYR 39 8.160 7.793 -16.798 288 HD1 TYR 39 HD1 TYR 39 8.267 10.141 -13.896 289 HD2 TYR 39 HD2 TYR 39 8.935 6.172 -15.288 290 HE1 TYR 39 HE1 TYR 39 9.237 9.547 -11.719 291 HE2 TYR 39 HE2 TYR 39 9.910 5.568 -13.113 292 HH TYR 39 HH TYR 39 9.610 7.538 -10.357 293 H VAL 40 H VAL 40 10.188 11.683 -16.542 294 HA VAL 40 HA VAL 40 11.780 10.953 -18.739 295 HB VAL 40 HB VAL 40 12.605 12.587 -16.323 296 HG11 VAL 40 1HG1 VAL 40 14.211 13.647 -17.865 297 HG12 VAL 40 2HG1 VAL 40 13.739 12.508 -19.125 298 HG13 VAL 40 3HG1 VAL 40 14.530 11.925 -17.660 299 HG21 VAL 40 3HG2 VAL 40 10.565 13.465 -17.330 300 HG22 VAL 40 1HG2 VAL 40 11.331 13.467 -18.920 301 HG23 VAL 40 2HG2 VAL 40 11.926 14.540 -17.652 302 H GLY 41 H GLY 41 12.074 10.139 -15.303 303 HA2 GLY 41 2HA GLY 41 14.610 9.057 -15.178 304 HA3 GLY 41 3HA GLY 41 13.250 8.466 -14.239 305 H THR 42 H THR 42 11.714 7.546 -16.525 306 HA THR 42 HA THR 42 12.722 4.936 -16.840 307 HB THR 42 HB THR 42 10.700 6.365 -18.594 308 HG1 THR 42 HG1 THR 42 9.184 5.567 -17.189 309 HG21 THR 42 3HG2 THR 42 11.585 4.338 -19.656 310 HG22 THR 42 1HG2 THR 42 9.911 4.105 -19.152 311 HG23 THR 42 2HG2 THR 42 11.222 3.410 -18.200 312 H TYR 43 H TYR 43 12.637 7.656 -19.154 313 HA TYR 43 HA TYR 43 13.771 6.351 -21.342 314 HB2 TYR 43 2HB TYR 43 13.911 9.273 -20.567 315 HB3 TYR 43 3HB TYR 43 14.387 8.644 -22.140 316 HD1 TYR 43 HD1 TYR 43 11.530 9.288 -19.896 317 HD2 TYR 43 HD2 TYR 43 12.733 8.005 -23.776 318 HE1 TYR 43 HE1 TYR 43 9.216 9.533 -20.690 319 HE2 TYR 43 HE2 TYR 43 10.422 8.246 -24.575 320 HH TYR 43 HH TYR 43 7.999 9.835 -22.729 321 H TYR 44 H TYR 44 15.388 8.171 -18.746 322 HA TYR 44 HA TYR 44 17.974 8.110 -19.854 323 HB2 TYR 44 2HB TYR 44 17.233 9.606 -17.999 324 HB3 TYR 44 3HB TYR 44 17.249 8.219 -16.916 325 HD1 TYR 44 HD2 TYR 44 19.372 10.453 -18.961 326 HD2 TYR 44 HD1 TYR 44 19.311 7.406 -15.984 327 HE1 TYR 44 HE2 TYR 44 21.752 10.862 -18.502 328 HE2 TYR 44 HE1 TYR 44 21.690 7.809 -15.520 329 HH TYR 44 HH TYR 44 23.350 10.534 -16.621 330 H HIS 45 H HIS 45 16.512 5.945 -17.394 331 HA HIS 45 HA HIS 45 18.847 4.279 -17.255 332 HB2 HIS 45 2HB HIS 45 16.043 3.926 -16.182 333 HB3 HIS 45 3HB HIS 45 17.326 2.747 -15.923 334 HD1 HIS 45 HD1 HIS 45 18.832 3.150 -13.967 335 HD2 HIS 45 HD2 HIS 45 16.668 6.543 -15.018 336 HE1 HIS 45 HE1 HIS 45 19.335 4.851 -12.192 337 HE2 HIS 45 HE2 HIS 45 18.128 6.932 -12.921 338 H LEU 46 H LEU 46 15.876 4.190 -19.112 339 HA LEU 46 HA LEU 46 16.146 1.535 -20.103 340 HB2 LEU 46 2HB LEU 46 14.014 2.650 -20.207 341 HB3 LEU 46 3HB LEU 46 14.683 3.954 -21.167 342 HG LEU 46 HG LEU 46 14.973 2.446 -23.071 343 HD11 LEU 46 1HD1 LEU 46 15.443 0.376 -21.913 344 HD12 LEU 46 2HD1 LEU 46 14.073 0.158 -23.000 345 HD13 LEU 46 3HD1 LEU 46 13.803 0.331 -21.266 346 HD21 LEU 46 3HD2 LEU 46 12.198 2.302 -21.881 347 HD22 LEU 46 1HD2 LEU 46 12.608 2.032 -23.575 348 HD23 LEU 46 2HD2 LEU 46 12.849 3.622 -22.853 349 H GLY 47 H GLY 47 17.156 4.704 -21.358 350 HA2 GLY 47 2HA GLY 47 18.305 3.861 -23.772 351 HA3 GLY 47 3HA GLY 47 18.798 5.280 -22.858 352 H LYS 48 H LYS 48 19.838 4.249 -20.573 353 HA LYS 48 HA LYS 48 22.391 3.331 -21.216 354 HB2 LYS 48 2HB LYS 48 20.891 2.964 -18.606 355 HB3 LYS 48 3HB LYS 48 22.629 2.792 -18.814 356 HG2 LYS 48 2HG LYS 48 21.021 5.319 -19.154 357 HG3 LYS 48 3HG LYS 48 22.109 4.932 -17.821 358 HD2 LYS 48 2HD LYS 48 23.993 4.844 -19.420 359 HD3 LYS 48 3HD LYS 48 22.890 5.304 -20.718 360 HE2 LYS 48 2HE LYS 48 24.048 7.270 -20.007 361 HE3 LYS 48 3HE LYS 48 22.381 7.393 -19.447 362 HZ1 LYS 48 3HZ LYS 48 23.137 6.634 -17.251 363 HZ2 LYS 48 1HZ LYS 48 23.895 8.074 -17.722 364 HZ3 LYS 48 2HZ LYS 48 24.731 6.609 -17.810 365 H LEU 49 H LEU 49 19.464 1.508 -20.446 366 HA LEU 49 HA LEU 49 20.699 -1.050 -20.309 367 HB2 LEU 49 2HB LEU 49 18.468 -0.565 -19.371 368 HB3 LEU 49 3HB LEU 49 17.838 -0.337 -20.992 369 HG LEU 49 HG LEU 49 18.195 -2.692 -21.514 370 HD11 LEU 49 1HD1 LEU 49 18.991 -4.272 -19.830 371 HD12 LEU 49 2HD1 LEU 49 19.285 -2.942 -18.707 372 HD13 LEU 49 3HD1 LEU 49 20.223 -3.064 -20.197 373 HD21 LEU 49 3HD2 LEU 49 16.589 -3.689 -19.951 374 HD22 LEU 49 1HD2 LEU 49 16.083 -2.079 -20.465 375 HD23 LEU 49 2HD2 LEU 49 16.789 -2.313 -18.865 376 H TYR 50 H TYR 50 19.152 0.751 -22.974 377 HA TYR 50 HA TYR 50 19.493 -1.229 -24.955 378 HB2 TYR 50 2HB TYR 50 19.248 1.772 -25.106 379 HB3 TYR 50 3HB TYR 50 19.500 0.804 -26.553 380 HD1 TYR 50 HD1 TYR 50 17.818 -1.505 -26.212 381 HD2 TYR 50 HD2 TYR 50 17.051 2.533 -25.095 382 HE1 TYR 50 HE1 TYR 50 15.403 -1.918 -26.397 383 HE2 TYR 50 HE2 TYR 50 14.633 2.125 -25.270 384 HH TYR 50 HH TYR 50 13.279 -0.919 -25.415 385 H GLU 51 H GLU 51 21.597 1.578 -24.176 386 HA GLU 51 HA GLU 51 23.707 1.025 -25.897 387 HB2 GLU 51 2HB GLU 51 23.877 2.118 -23.073 388 HB3 GLU 51 3HB GLU 51 25.169 2.195 -24.259 389 HG2 GLU 51 2HG GLU 51 23.711 3.583 -25.702 390 HG3 GLU 51 3HG GLU 51 22.486 3.561 -24.433 391 H ARG 52 H ARG 52 23.091 -0.254 -22.653 392 HA ARG 52 HA ARG 52 25.380 -1.838 -22.329 393 HB2 ARG 52 2HB ARG 52 23.597 -1.235 -20.608 394 HB3 ARG 52 3HB ARG 52 22.618 -2.521 -21.300 395 HG2 ARG 52 2HG ARG 52 24.471 -4.112 -20.771 396 HG3 ARG 52 3HG ARG 52 25.284 -2.794 -19.925 397 HD2 ARG 52 2HD ARG 52 22.636 -4.072 -19.252 398 HD3 ARG 52 3HD ARG 52 24.115 -4.083 -18.293 399 HE ARG 52 HE ARG 52 22.813 -1.514 -18.821 400 HH11 ARG 52 1HH1 ARG 52 23.735 -3.971 -16.596 401 HH12 ARG 52 2HH1 ARG 52 23.210 -3.073 -15.213 402 HH21 ARG 52 1HH2 ARG 52 22.120 -0.365 -17.037 403 HH22 ARG 52 2HH2 ARG 52 22.312 -1.050 -15.462 404 H LEU 53 H LEU 53 22.252 -2.593 -23.823 405 HA LEU 53 HA LEU 53 23.044 -5.310 -24.498 406 HB2 LEU 53 2HB LEU 53 20.568 -3.729 -25.221 407 HB3 LEU 53 3HB LEU 53 20.805 -5.437 -25.546 408 HG LEU 53 HG LEU 53 20.638 -4.177 -22.798 409 HD11 LEU 53 1HD1 LEU 53 18.666 -5.889 -24.311 410 HD12 LEU 53 2HD1 LEU 53 18.487 -4.178 -23.920 411 HD13 LEU 53 3HD1 LEU 53 18.505 -5.378 -22.630 412 HD21 LEU 53 3HD2 LEU 53 20.587 -6.496 -21.978 413 HD22 LEU 53 1HD2 LEU 53 22.109 -6.117 -22.784 414 HD23 LEU 53 2HD2 LEU 53 20.884 -7.076 -23.617 415 H ASP 54 H ASP 54 24.327 -2.773 -25.686 416 HA ASP 54 HA ASP 54 25.391 -2.227 -27.606 417 HB2 ASP 54 2HB ASP 54 25.891 -4.633 -27.734 418 HB3 ASP 54 3HB ASP 54 24.383 -4.908 -28.597 419 H ARG 55 H ARG 55 22.190 -2.200 -27.289 420 HA ARG 55 HA ARG 55 21.392 -1.631 -30.019 421 HB2 ARG 55 2HB ARG 55 19.872 -1.200 -27.432 422 HB3 ARG 55 3HB ARG 55 19.196 -1.174 -29.054 423 HG2 ARG 55 2HG ARG 55 20.420 -3.579 -27.702 424 HG3 ARG 55 3HG ARG 55 18.694 -3.261 -27.875 425 HD2 ARG 55 2HD ARG 55 20.675 -3.723 -30.110 426 HD3 ARG 55 3HD ARG 55 19.423 -4.841 -29.565 427 HE ARG 55 HE ARG 55 18.756 -2.205 -30.710 428 HH11 ARG 55 1HH1 ARG 55 18.423 -5.632 -30.706 429 HH12 ARG 55 2HH1 ARG 55 17.098 -5.607 -31.810 430 HH21 ARG 55 1HH2 ARG 55 17.074 -2.187 -32.132 431 HH22 ARG 55 2HH2 ARG 55 16.354 -3.682 -32.628 432 H THR 56 H THR 56 23.293 0.017 -29.954 433 HA THR 56 HA THR 56 23.188 2.344 -28.386 434 HB THR 56 HB THR 56 24.545 1.926 -31.061 435 HG1 THR 56 HG1 THR 56 26.211 1.140 -29.911 436 HG21 THR 56 3HG2 THR 56 25.061 4.024 -28.943 437 HG22 THR 56 1HG2 THR 56 24.343 4.313 -30.529 438 HG23 THR 56 2HG2 THR 56 26.017 3.773 -30.403 439 H ASP 57 H ASP 57 22.247 1.968 -31.844 440 HA ASP 57 HA ASP 57 21.350 4.643 -32.124 441 HB2 ASP 57 2HB ASP 57 20.550 2.204 -33.730 442 HB3 ASP 57 3HB ASP 57 20.331 3.883 -34.222 443 H ASP 58 H ASP 58 19.724 1.691 -31.137 444 HA ASP 58 HA ASP 58 17.077 2.675 -31.069 445 HB2 ASP 58 2HB ASP 58 18.276 0.610 -29.206 446 HB3 ASP 58 3HB ASP 58 16.589 0.762 -29.697 447 H ALA 59 H ALA 59 19.703 2.711 -28.683 448 HA ALA 59 HA ALA 59 18.315 3.931 -26.554 449 HB1 ALA 59 3HB ALA 59 20.521 4.538 -25.696 450 HB2 ALA 59 1HB ALA 59 21.244 4.172 -27.263 451 HB3 ALA 59 2HB ALA 59 20.523 2.882 -26.302 452 H ILE 60 H ILE 60 20.197 5.335 -29.227 453 HA ILE 60 HA ILE 60 20.126 8.018 -28.548 454 HB ILE 60 HB ILE 60 19.941 6.833 -31.331 455 HG12 ILE 60 2HG1 ILE 60 22.371 7.758 -29.772 456 HG13 ILE 60 3HG1 ILE 60 21.892 6.075 -29.962 457 HG21 ILE 60 1HG2 ILE 60 19.323 9.196 -31.344 458 HG22 ILE 60 2HG2 ILE 60 20.894 8.960 -32.108 459 HG23 ILE 60 3HG2 ILE 60 20.800 9.601 -30.468 460 HD11 ILE 60 3HD1 ILE 60 22.704 7.953 -32.171 461 HD12 ILE 60 1HD1 ILE 60 22.193 6.277 -32.384 462 HD13 ILE 60 2HD1 ILE 60 23.670 6.642 -31.493 463 H ASP 61 H ASP 61 17.734 6.278 -30.571 464 HA ASP 61 HA ASP 61 15.968 8.437 -30.937 465 HB2 ASP 61 2HB ASP 61 15.914 6.326 -32.253 466 HB3 ASP 61 3HB ASP 61 15.262 5.489 -30.846 467 H THR 62 H THR 62 16.069 5.944 -28.417 468 HA THR 62 HA THR 62 13.758 6.671 -26.994 469 HB THR 62 HB THR 62 16.332 5.485 -25.908 470 HG1 THR 62 HG1 THR 62 15.509 4.057 -27.374 471 HG21 THR 62 3HG2 THR 62 14.954 4.651 -24.057 472 HG22 THR 62 1HG2 THR 62 13.551 5.498 -24.711 473 HG23 THR 62 2HG2 THR 62 14.936 6.413 -24.114 474 H TYR 63 H TYR 63 17.118 7.805 -26.663 475 HA TYR 63 HA TYR 63 16.660 9.622 -24.552 476 HB2 TYR 63 2HB TYR 63 18.789 9.544 -26.699 477 HB3 TYR 63 3HB TYR 63 18.765 10.767 -25.433 478 HD1 TYR 63 HD1 TYR 63 18.309 9.559 -22.982 479 HD2 TYR 63 HD2 TYR 63 20.334 7.854 -26.317 480 HE1 TYR 63 HE1 TYR 63 19.533 8.065 -21.464 481 HE2 TYR 63 HE2 TYR 63 21.563 6.352 -24.806 482 HH TYR 63 HH TYR 63 22.182 6.086 -22.559 483 H ALA 64 H ALA 64 16.354 9.947 -28.057 484 HA ALA 64 HA ALA 64 16.054 12.725 -28.241 485 HB1 ALA 64 3HB ALA 64 16.354 11.245 -30.180 486 HB2 ALA 64 1HB ALA 64 14.964 12.314 -30.378 487 HB3 ALA 64 2HB ALA 64 14.722 10.621 -29.949 488 H GLN 65 H GLN 65 13.454 10.260 -28.065 489 HA GLN 65 HA GLN 65 11.323 12.057 -27.705 490 HB2 GLN 65 2HB GLN 65 11.595 9.281 -27.883 491 HB3 GLN 65 3HB GLN 65 10.951 9.527 -26.267 492 HG2 GLN 65 2HG GLN 65 9.718 10.603 -28.802 493 HG3 GLN 65 3HG GLN 65 9.213 9.132 -27.978 494 HE21 GLN 65 1HE2 GLN 65 9.501 10.235 -25.311 495 HE22 GLN 65 2HE2 GLN 65 8.207 11.353 -25.106 496 H GLY 66 H GLY 66 13.576 10.626 -25.410 497 HA2 GLY 66 2HA GLY 66 12.356 11.502 -23.014 498 HA3 GLY 66 3HA GLY 66 14.060 11.136 -23.223 499 H ILE 67 H ILE 67 14.747 13.062 -25.114 500 HA ILE 67 HA ILE 67 15.342 15.319 -23.591 501 HB ILE 67 HB ILE 67 15.232 14.903 -26.582 502 HG12 ILE 67 2HG1 ILE 67 17.585 15.149 -24.689 503 HG13 ILE 67 3HG1 ILE 67 16.915 13.627 -25.265 504 HG21 ILE 67 1HG2 ILE 67 16.355 17.307 -25.150 505 HG22 ILE 67 2HG2 ILE 67 14.913 17.291 -26.163 506 HG23 ILE 67 3HG2 ILE 67 16.494 16.974 -26.875 507 HD11 ILE 67 3HD1 ILE 67 18.906 14.231 -26.499 508 HD12 ILE 67 1HD1 ILE 67 18.175 15.765 -26.968 509 HD13 ILE 67 2HD1 ILE 67 17.495 14.247 -27.557 510 H GLU 68 H GLU 68 12.761 14.806 -25.947 511 HA GLU 68 HA GLU 68 11.636 17.364 -25.941 512 HB2 GLU 68 2HB GLU 68 10.198 14.720 -26.313 513 HB3 GLU 68 3HB GLU 68 9.656 16.295 -26.885 514 HG2 GLU 68 2HG GLU 68 11.638 16.425 -28.344 515 HG3 GLU 68 3HG GLU 68 12.128 14.825 -27.796 516 H VAL 69 H VAL 69 10.577 14.504 -24.053 517 HA VAL 69 HA VAL 69 8.684 16.000 -22.521 518 HB VAL 69 HB VAL 69 8.411 14.002 -21.150 519 HG11 VAL 69 1HG1 VAL 69 8.642 13.364 -24.096 520 HG12 VAL 69 2HG1 VAL 69 7.250 14.082 -23.285 521 HG13 VAL 69 3HG1 VAL 69 7.729 12.426 -22.913 522 HG21 VAL 69 3HG2 VAL 69 10.737 13.300 -20.956 523 HG22 VAL 69 1HG2 VAL 69 10.778 12.884 -22.670 524 HG23 VAL 69 2HG2 VAL 69 9.748 11.974 -21.564 525 H ALA 70 H ALA 70 12.087 15.383 -22.138 526 HA ALA 70 HA ALA 70 12.302 15.850 -19.350 527 HB1 ALA 70 3HB ALA 70 14.685 16.191 -19.759 528 HB2 ALA 70 1HB ALA 70 14.382 16.295 -21.494 529 HB3 ALA 70 2HB ALA 70 14.090 14.781 -20.637 530 H ARG 71 H ARG 71 12.690 18.028 -22.148 531 HA ARG 71 HA ARG 71 13.235 20.332 -20.551 532 HB2 ARG 71 2HB ARG 71 13.009 21.602 -22.633 533 HB3 ARG 71 3HB ARG 71 14.012 20.176 -22.863 534 HG2 ARG 71 2HG ARG 71 12.054 19.015 -23.853 535 HG3 ARG 71 3HG ARG 71 11.137 20.519 -23.721 536 HD2 ARG 71 2HD ARG 71 13.676 20.112 -25.315 537 HD3 ARG 71 3HD ARG 71 12.046 20.215 -25.978 538 HE ARG 71 HE ARG 71 12.283 22.550 -24.657 539 HH11 ARG 71 1HH1 ARG 71 14.256 20.975 -27.008 540 HH12 ARG 71 2HH1 ARG 71 14.902 22.458 -27.616 541 HH21 ARG 71 1HH2 ARG 71 13.122 24.453 -25.454 542 HH22 ARG 71 2HH2 ARG 71 14.267 24.398 -26.752 543 H GLU 72 H GLU 72 10.264 18.866 -21.731 544 HA GLU 72 HA GLU 72 8.656 21.201 -21.128 545 HB2 GLU 72 2HB GLU 72 7.919 18.385 -21.940 546 HB3 GLU 72 3HB GLU 72 6.734 19.647 -21.638 547 HG2 GLU 72 2HG GLU 72 7.782 21.000 -23.435 548 HG3 GLU 72 3HG GLU 72 8.861 19.647 -23.774 549 H GLU 73 H GLU 73 8.936 17.920 -19.729 550 HA GLU 73 HA GLU 73 7.213 18.755 -17.504 551 HB2 GLU 73 2HB GLU 73 8.139 15.975 -18.261 552 HB3 GLU 73 3HB GLU 73 6.926 16.376 -17.053 553 HG2 GLU 73 2HG GLU 73 6.698 16.860 -20.023 554 HG3 GLU 73 3HG GLU 73 5.905 15.575 -19.116 555 H GLY 74 H GLY 74 10.428 17.387 -18.117 556 HA2 GLY 74 2HA GLY 74 11.004 17.076 -15.291 557 HA3 GLY 74 3HA GLY 74 12.092 16.740 -16.626 558 H THR 75 H THR 75 13.705 18.144 -17.013 559 HA THR 75 HA THR 75 13.581 20.934 -16.395 560 HB THR 75 HB THR 75 13.919 20.295 -14.112 561 HG1 THR 75 HG1 THR 75 15.848 21.378 -13.716 562 HG21 THR 75 3HG2 THR 75 14.703 18.005 -14.444 563 HG22 THR 75 1HG2 THR 75 15.806 18.887 -13.388 564 HG23 THR 75 2HG2 THR 75 16.237 18.606 -15.075 565 H GLN 76 H GLN 76 15.667 22.053 -16.772 566 HA GLN 76 HA GLN 76 16.848 21.235 -19.197 567 HB2 GLN 76 2HB GLN 76 16.709 23.581 -18.501 568 HB3 GLN 76 3HB GLN 76 17.818 23.267 -17.171 569 HG2 GLN 76 2HG GLN 76 19.602 22.762 -18.751 570 HG3 GLN 76 3HG GLN 76 18.498 23.019 -20.103 571 HE21 GLN 76 1HE2 GLN 76 17.894 25.131 -20.630 572 HE22 GLN 76 2HE2 GLN 76 18.714 26.512 -19.999 573 H LYS 77 H LYS 77 17.757 20.639 -15.870 574 HA LYS 77 HA LYS 77 20.451 19.897 -16.257 575 HB2 LYS 77 2HB LYS 77 19.497 20.338 -14.044 576 HB3 LYS 77 3HB LYS 77 18.469 18.920 -14.189 577 HG2 LYS 77 2HG LYS 77 20.436 17.473 -14.186 578 HG3 LYS 77 3HG LYS 77 21.489 18.887 -14.101 579 HD2 LYS 77 2HD LYS 77 21.227 17.877 -11.898 580 HD3 LYS 77 3HD LYS 77 20.508 19.488 -11.929 581 HE2 LYS 77 2HE LYS 77 18.283 18.446 -12.259 582 HE3 LYS 77 3HE LYS 77 19.035 16.855 -12.133 583 HZ1 LYS 77 3HZ LYS 77 19.037 18.932 -10.011 584 HZ2 LYS 77 1HZ LYS 77 19.730 17.396 -9.889 585 HZ3 LYS 77 2HZ LYS 77 18.054 17.562 -10.035 586 H ASP 78 H ASP 78 17.532 17.827 -16.065 587 HA ASP 78 HA ASP 78 18.847 15.452 -16.896 588 HB2 ASP 78 2HB ASP 78 15.938 16.274 -16.843 589 HB3 ASP 78 3HB ASP 78 16.462 14.676 -17.367 590 H LEU 79 H LEU 79 17.223 18.047 -18.629 591 HA LEU 79 HA LEU 79 17.106 17.015 -21.205 592 HB2 LEU 79 2HB LEU 79 16.165 19.172 -20.627 593 HB3 LEU 79 3HB LEU 79 17.752 19.814 -20.257 594 HG LEU 79 HG LEU 79 18.365 19.583 -22.660 595 HD11 LEU 79 1HD1 LEU 79 16.848 17.814 -23.301 596 HD12 LEU 79 2HD1 LEU 79 16.562 19.240 -24.300 597 HD13 LEU 79 3HD1 LEU 79 15.457 18.849 -22.981 598 HD21 LEU 79 3HD2 LEU 79 17.059 21.491 -23.436 599 HD22 LEU 79 1HD2 LEU 79 17.573 21.716 -21.764 600 HD23 LEU 79 2HD2 LEU 79 15.907 21.255 -22.121 601 H SER 80 H SER 80 19.842 18.625 -19.578 602 HA SER 80 HA SER 80 21.675 18.368 -21.730 603 HB2 SER 80 2HB SER 80 22.018 19.961 -19.872 604 HB3 SER 80 3HB SER 80 22.265 18.612 -18.764 605 HG SER 80 HG SER 80 24.282 18.959 -19.319 606 H GLU 81 H GLU 81 20.961 16.295 -18.941 607 HA GLU 81 HA GLU 81 23.019 14.425 -19.162 608 HB2 GLU 81 2HB GLU 81 20.140 13.975 -18.316 609 HB3 GLU 81 3HB GLU 81 21.457 12.846 -18.030 610 HG2 GLU 81 2HG GLU 81 21.350 15.655 -16.943 611 HG3 GLU 81 3HG GLU 81 20.838 14.219 -16.060 612 H LEU 82 H LEU 82 19.769 14.308 -20.618 613 HA LEU 82 HA LEU 82 20.141 11.850 -21.970 614 HB2 LEU 82 2HB LEU 82 18.190 14.088 -22.539 615 HB3 LEU 82 3HB LEU 82 18.082 12.464 -23.195 616 HG LEU 82 HG LEU 82 17.932 13.135 -20.246 617 HD11 LEU 82 1HD1 LEU 82 15.997 14.003 -21.443 618 HD12 LEU 82 2HD1 LEU 82 15.555 12.629 -20.432 619 HD13 LEU 82 3HD1 LEU 82 15.726 12.422 -22.176 620 HD21 LEU 82 3HD2 LEU 82 17.180 10.820 -19.999 621 HD22 LEU 82 1HD2 LEU 82 18.808 10.902 -20.674 622 HD23 LEU 82 2HD2 LEU 82 17.435 10.549 -21.723 623 H GLN 83 H GLN 83 20.518 15.225 -23.072 624 HA GLN 83 HA GLN 83 21.085 14.623 -25.776 625 HB2 GLN 83 2HB GLN 83 21.935 16.993 -24.092 626 HB3 GLN 83 3HB GLN 83 22.167 16.887 -25.834 627 HG2 GLN 83 2HG GLN 83 19.697 16.647 -26.082 628 HG3 GLN 83 3HG GLN 83 19.544 16.940 -24.351 629 HE21 GLN 83 1HE2 GLN 83 20.000 19.010 -23.546 630 HE22 GLN 83 2HE2 GLN 83 20.061 20.394 -24.578 631 H ASP 84 H ASP 84 23.251 15.063 -22.989 632 HA ASP 84 HA ASP 84 25.671 14.548 -24.357 633 HB2 ASP 84 2HB ASP 84 25.620 15.621 -22.167 634 HB3 ASP 84 3HB ASP 84 24.932 14.174 -21.439 635 H ALA 85 H ALA 85 23.269 12.440 -22.898 636 HA ALA 85 HA ALA 85 24.768 10.044 -22.863 637 HB1 ALA 85 3HB ALA 85 22.730 10.364 -21.549 638 HB2 ALA 85 1HB ALA 85 22.627 8.923 -22.558 639 HB3 ALA 85 2HB ALA 85 21.774 10.395 -23.031 640 H LYS 86 H LYS 86 22.355 11.217 -25.254 641 HA LYS 86 HA LYS 86 22.736 9.043 -27.041 642 HB2 LYS 86 2HB LYS 86 21.534 10.398 -28.695 643 HB3 LYS 86 3HB LYS 86 20.721 10.414 -27.138 644 HG2 LYS 86 2HG LYS 86 21.609 12.637 -26.674 645 HG3 LYS 86 3HG LYS 86 22.477 12.625 -28.209 646 HD2 LYS 86 2HD LYS 86 19.475 12.473 -27.884 647 HD3 LYS 86 3HD LYS 86 20.384 13.916 -28.337 648 HE2 LYS 86 2HE LYS 86 21.185 12.748 -30.357 649 HE3 LYS 86 3HE LYS 86 20.223 11.338 -29.906 650 HZ1 LYS 86 3HZ LYS 86 19.098 12.704 -31.544 651 HZ2 LYS 86 1HZ LYS 86 19.149 14.038 -30.509 652 HZ3 LYS 86 2HZ LYS 86 18.231 12.678 -30.100 653 H LEU 87 H LEU 87 24.414 12.086 -26.615 654 HA LEU 87 HA LEU 87 25.837 12.115 -29.061 655 HB2 LEU 87 2HB LEU 87 25.620 14.077 -27.593 656 HB3 LEU 87 3HB LEU 87 26.616 13.287 -26.383 657 HG LEU 87 HG LEU 87 28.521 13.303 -27.981 658 HD11 LEU 87 1HD1 LEU 87 28.385 14.671 -30.002 659 HD12 LEU 87 2HD1 LEU 87 26.667 14.944 -29.710 660 HD13 LEU 87 3HD1 LEU 87 27.254 13.320 -30.070 661 HD21 LEU 87 3HD2 LEU 87 27.288 16.010 -27.465 662 HD22 LEU 87 1HD2 LEU 87 28.987 15.692 -27.819 663 HD23 LEU 87 2HD2 LEU 87 28.271 15.086 -26.327 664 H LYS 88 H LYS 88 26.916 11.043 -25.801 665 HA LYS 88 HA LYS 88 29.413 10.046 -26.589 666 HB2 LYS 88 2HB LYS 88 29.460 8.818 -24.502 667 HB3 LYS 88 3HB LYS 88 28.753 10.404 -24.227 668 HG2 LYS 88 2HG LYS 88 26.512 9.405 -24.254 669 HG3 LYS 88 3HG LYS 88 27.233 7.815 -24.513 670 HD2 LYS 88 2HD LYS 88 28.436 8.046 -22.358 671 HD3 LYS 88 3HD LYS 88 27.623 9.592 -22.096 672 HE2 LYS 88 2HE LYS 88 26.480 7.837 -20.871 673 HE3 LYS 88 3HE LYS 88 25.448 8.433 -22.169 674 HZ1 LYS 88 3HZ LYS 88 27.055 5.934 -22.222 675 HZ2 LYS 88 1HZ LYS 88 26.111 6.508 -23.507 676 HZ3 LYS 88 2HZ LYS 88 25.373 6.036 -22.064 677 H ALA 89 H ALA 89 26.234 8.595 -26.785 678 HA ALA 89 HA ALA 89 26.908 5.933 -27.294 679 HB1 ALA 89 3HB ALA 89 24.603 7.507 -28.450 680 HB2 ALA 89 1HB ALA 89 24.621 6.719 -26.872 681 HB3 ALA 89 2HB ALA 89 24.717 5.750 -28.342 682 H GLU 90 H GLU 90 26.526 8.641 -29.604 683 HA GLU 90 HA GLU 90 27.468 7.055 -31.830 684 HB2 GLU 90 2HB GLU 90 27.025 10.039 -31.569 685 HB3 GLU 90 3HB GLU 90 27.470 9.226 -33.065 686 HG2 GLU 90 2HG GLU 90 25.348 7.831 -32.729 687 HG3 GLU 90 3HG GLU 90 24.899 9.035 -31.522 688 H GLY 91 H GLY 91 28.916 8.974 -29.365 689 HA2 GLY 91 2HA GLY 91 31.397 9.565 -30.618 690 HA3 GLY 91 3HA GLY 91 31.103 9.499 -28.888 691 H LEU 92 H LEU 92 30.108 6.615 -29.379 692 HA LEU 92 HA LEU 92 32.422 5.220 -28.672 693 HB2 LEU 92 2HB LEU 92 29.953 4.136 -30.045 694 HB3 LEU 92 3HB LEU 92 31.158 3.173 -29.212 695 HG LEU 92 HG LEU 92 29.316 5.202 -27.930 696 HD11 LEU 92 1HD1 LEU 92 28.285 3.259 -26.863 697 HD12 LEU 92 2HD1 LEU 92 29.358 2.186 -27.762 698 HD13 LEU 92 3HD1 LEU 92 28.164 3.163 -28.619 699 HD21 LEU 92 3HD2 LEU 92 31.465 5.143 -26.787 700 HD22 LEU 92 1HD2 LEU 92 31.382 3.385 -26.682 701 HD23 LEU 92 2HD2 LEU 92 30.221 4.378 -25.800 702 H GLU 93 H GLU 93 30.779 5.231 -31.853 703 HA GLU 93 HA GLU 93 33.245 5.264 -33.290 704 HB2 GLU 93 2HB GLU 93 32.961 3.040 -34.398 705 HB3 GLU 93 3HB GLU 93 33.374 2.946 -32.695 706 HG2 GLU 93 2HG GLU 93 31.757 1.313 -32.919 707 HG3 GLU 93 3HG GLU 93 30.836 2.686 -32.308 708 H HIS 94 H HIS 94 32.653 4.610 -35.776 709 HA HIS 94 HA HIS 94 30.551 6.545 -36.376 710 HB2 HIS 94 2HB HIS 94 31.524 6.651 -38.625 711 HB3 HIS 94 3HB HIS 94 32.734 6.928 -37.380 712 HD1 HIS 94 HD1 HIS 94 31.844 4.650 -40.168 713 HD2 HIS 94 HD2 HIS 94 34.658 4.834 -37.110 714 HE1 HIS 94 HE1 HIS 94 33.600 2.957 -40.761 715 HE2 HIS 94 HE2 HIS 94 35.370 3.209 -38.991 716 H HIS 95 H HIS 95 31.075 3.090 -36.810 717 HA HIS 95 HA HIS 95 29.215 2.941 -39.041 718 HB2 HIS 95 2HB HIS 95 31.254 1.527 -38.986 719 HB3 HIS 95 3HB HIS 95 30.613 0.685 -37.577 720 HD1 HIS 95 HD1 HIS 95 30.286 0.926 -41.274 721 HD2 HIS 95 HD2 HIS 95 28.472 -1.094 -38.128 722 HE1 HIS 95 HE1 HIS 95 28.861 -0.843 -42.344 723 HE2 HIS 95 HE2 HIS 95 27.754 -2.036 -40.424 724 H HIS 96 H HIS 96 27.345 3.749 -37.885 725 HA HIS 96 HA HIS 96 25.830 1.541 -36.724 726 HB2 HIS 96 2HB HIS 96 24.974 2.994 -34.869 727 HB3 HIS 96 3HB HIS 96 26.675 2.566 -34.725 728 HD1 HIS 96 HD1 HIS 96 28.352 4.458 -34.676 729 HD2 HIS 96 HD2 HIS 96 24.491 5.730 -35.547 730 HE1 HIS 96 HE1 HIS 96 28.424 6.967 -34.559 731 HE2 HIS 96 HE2 HIS 96 26.040 7.695 -34.904 732 H HIS 97 H HIS 97 23.460 2.345 -36.288 733 HA HIS 97 HA HIS 97 22.563 3.155 -38.935 734 HB2 HIS 97 2HB HIS 97 20.872 2.299 -36.577 735 HB3 HIS 97 3HB HIS 97 20.407 2.304 -38.274 736 HD1 HIS 97 HD1 HIS 97 21.517 0.430 -39.788 737 HD2 HIS 97 HD2 HIS 97 22.168 0.030 -35.703 738 HE1 HIS 97 HE1 HIS 97 22.316 -1.924 -39.463 739 HE2 HIS 97 HE2 HIS 97 22.598 -2.178 -36.980 740 H HIS 98 H HIS 98 23.513 5.424 -38.192 741 HA HIS 98 HA HIS 98 22.069 7.057 -36.423 742 HB2 HIS 98 2HB HIS 98 24.252 7.762 -37.126 743 HB3 HIS 98 3HB HIS 98 23.771 7.764 -38.821 744 HD1 HIS 98 HD1 HIS 98 23.552 9.814 -35.690 745 HD2 HIS 98 HD2 HIS 98 22.320 10.027 -39.654 746 HE1 HIS 98 HE1 HIS 98 22.739 12.162 -36.022 747 HE2 HIS 98 HE2 HIS 98 21.836 12.210 -38.363 748 H HIS 99 H HIS 99 19.998 7.654 -36.539 749 HA HIS 99 HA HIS 99 18.776 8.199 -39.161 750 HB2 HIS 99 2HB HIS 99 17.490 6.697 -37.732 751 HB3 HIS 99 3HB HIS 99 17.523 7.871 -36.421 752 HD1 HIS 99 HD1 HIS 99 15.811 9.744 -36.468 753 HD2 HIS 99 HD2 HIS 99 15.730 7.384 -39.891 754 HE1 HIS 99 HE1 HIS 99 13.731 10.413 -37.695 755 HE2 HIS 99 HE2 HIS 99 13.629 8.887 -39.687 Start of MODEL 6 1 H1 GLU 1 1H GLU 1 1.739 0.272 -0.975 2 H2 GLU 1 2H GLU 1 0.797 1.253 -1.979 3 H3 GLU 1 3H GLU 1 2.028 1.934 -1.039 4 HA GLU 1 HA GLU 1 2.688 1.766 -3.346 5 HB2 GLU 1 2HB GLU 1 4.822 0.491 -2.947 6 HB3 GLU 1 3HB GLU 1 4.454 1.715 -1.742 7 HG2 GLU 1 2HG GLU 1 3.606 -0.041 -0.237 8 HG3 GLU 1 3HG GLU 1 4.030 -1.256 -1.441 9 H ASP 2 H ASP 2 1.869 0.837 -5.096 10 HA ASP 2 HA ASP 2 1.530 -2.097 -5.152 11 HB2 ASP 2 2HB ASP 2 -0.276 0.051 -6.298 12 HB3 ASP 2 3HB ASP 2 -0.468 -1.675 -6.600 13 HA PRO 3 HA PRO 3 3.987 -2.547 -8.728 14 HB2 PRO 3 2HB PRO 3 2.345 -3.947 -10.488 15 HB3 PRO 3 3HB PRO 3 3.300 -4.658 -9.184 16 HG2 PRO 3 2HG PRO 3 0.400 -3.910 -9.219 17 HG3 PRO 3 3HG PRO 3 1.183 -5.341 -8.518 18 HD2 PRO 3 2HD PRO 3 0.400 -3.312 -6.968 19 HD3 PRO 3 3HD PRO 3 1.920 -4.171 -6.641 20 H GLU 4 H GLU 4 0.766 -1.231 -9.428 21 HA GLU 4 HA GLU 4 1.449 -0.322 -12.053 22 HB2 GLU 4 2HB GLU 4 -0.843 0.389 -10.221 23 HB3 GLU 4 3HB GLU 4 -0.672 1.032 -11.852 24 HG2 GLU 4 2HG GLU 4 -0.715 -1.268 -12.742 25 HG3 GLU 4 3HG GLU 4 -0.952 -1.880 -11.106 26 H ASP 5 H ASP 5 2.010 1.005 -8.903 27 HA ASP 5 HA ASP 5 2.262 3.736 -9.583 28 HB2 ASP 5 2HB ASP 5 3.701 2.136 -7.451 29 HB3 ASP 5 3HB ASP 5 3.722 3.892 -7.567 30 HA PRO 6 HA PRO 6 5.738 3.788 -12.369 31 HB2 PRO 6 2HB PRO 6 6.764 6.261 -11.462 32 HB3 PRO 6 3HB PRO 6 5.619 6.017 -12.782 33 HG2 PRO 6 2HG PRO 6 5.108 6.766 -9.940 34 HG3 PRO 6 3HG PRO 6 4.261 7.281 -11.411 35 HD2 PRO 6 2HD PRO 6 3.175 5.490 -9.751 36 HD3 PRO 6 3HD PRO 6 2.994 5.323 -11.511 37 H PHE 7 H PHE 7 6.385 4.840 -9.012 38 HA PHE 7 HA PHE 7 9.139 4.302 -8.990 39 HB2 PHE 7 2HB PHE 7 8.052 5.654 -7.271 40 HB3 PHE 7 3HB PHE 7 7.146 4.256 -6.707 41 HD1 PHE 7 HD2 PHE 7 10.568 5.656 -7.023 42 HD2 PHE 7 HD1 PHE 7 8.065 2.786 -5.104 43 HE1 PHE 7 HE2 PHE 7 12.380 5.131 -5.445 44 HE2 PHE 7 HE1 PHE 7 9.877 2.261 -3.525 45 HZ PHE 7 HZ PHE 7 12.038 3.431 -3.695 46 H THR 8 H THR 8 6.417 2.221 -7.978 47 HA THR 8 HA THR 8 7.944 0.094 -6.959 48 HB THR 8 HB THR 8 5.212 -0.164 -8.243 49 HG1 THR 8 HG1 THR 8 4.353 0.540 -6.362 50 HG21 THR 8 3HG2 THR 8 6.561 -1.771 -6.061 51 HG22 THR 8 1HG2 THR 8 6.291 -2.307 -7.720 52 HG23 THR 8 2HG2 THR 8 4.918 -2.013 -6.653 53 H ARG 9 H ARG 9 6.347 0.327 -10.150 54 HA ARG 9 HA ARG 9 7.370 -2.109 -11.151 55 HB2 ARG 9 2HB ARG 9 6.644 -1.218 -13.376 56 HB3 ARG 9 3HB ARG 9 5.406 -1.145 -12.129 57 HG2 ARG 9 2HG ARG 9 6.438 1.304 -11.823 58 HG3 ARG 9 3HG ARG 9 6.833 1.046 -13.520 59 HD2 ARG 9 2HD ARG 9 4.071 0.702 -12.358 60 HD3 ARG 9 3HD ARG 9 4.643 2.190 -13.101 61 HE ARG 9 HE ARG 9 4.684 1.085 -15.200 62 HH11 ARG 9 1HH1 ARG 9 3.406 -0.864 -12.665 63 HH12 ARG 9 2HH1 ARG 9 2.498 -1.869 -13.736 64 HH21 ARG 9 1HH2 ARG 9 3.468 -0.187 -16.577 65 HH22 ARG 9 2HH2 ARG 9 2.520 -1.480 -15.930 66 H TYR 10 H TYR 10 8.692 1.144 -11.149 67 HA TYR 10 HA TYR 10 10.835 0.665 -12.960 68 HB2 TYR 10 2HB TYR 10 10.167 2.928 -12.509 69 HB3 TYR 10 3HB TYR 10 10.431 2.724 -10.782 70 HD1 TYR 10 HD1 TYR 10 12.291 2.639 -14.032 71 HD2 TYR 10 HD2 TYR 10 12.433 3.448 -9.851 72 HE1 TYR 10 HE1 TYR 10 14.576 3.514 -14.282 73 HE2 TYR 10 HE2 TYR 10 14.716 4.319 -10.095 74 HH TYR 10 HH TYR 10 16.573 4.206 -11.555 75 H ALA 11 H ALA 11 10.567 0.448 -9.418 76 HA ALA 11 HA ALA 11 13.253 -0.128 -8.837 77 HB1 ALA 11 3HB ALA 11 11.587 0.482 -7.139 78 HB2 ALA 11 1HB ALA 11 12.433 -1.006 -6.715 79 HB3 ALA 11 2HB ALA 11 10.792 -1.077 -7.360 80 H LEU 12 H LEU 12 10.532 -2.377 -9.428 81 HA LEU 12 HA LEU 12 11.969 -4.772 -9.231 82 HB2 LEU 12 2HB LEU 12 9.466 -3.992 -10.682 83 HB3 LEU 12 3HB LEU 12 10.159 -5.577 -10.960 84 HG LEU 12 HG LEU 12 8.385 -5.694 -9.294 85 HD11 LEU 12 1HD1 LEU 12 9.583 -6.859 -7.524 86 HD12 LEU 12 2HD1 LEU 12 11.100 -6.121 -8.040 87 HD13 LEU 12 3HD1 LEU 12 10.262 -7.252 -9.103 88 HD21 LEU 12 3HD2 LEU 12 8.611 -4.615 -7.102 89 HD22 LEU 12 1HD2 LEU 12 8.501 -3.431 -8.404 90 HD23 LEU 12 2HD2 LEU 12 10.062 -3.782 -7.661 91 H ALA 13 H ALA 13 11.535 -2.611 -12.013 92 HA ALA 13 HA ALA 13 12.771 -4.157 -13.984 93 HB1 ALA 13 3HB ALA 13 13.185 -2.058 -15.162 94 HB2 ALA 13 1HB ALA 13 12.869 -1.151 -13.680 95 HB3 ALA 13 2HB ALA 13 11.572 -2.067 -14.448 96 H GLN 14 H GLN 14 14.263 -1.736 -11.812 97 HA GLN 14 HA GLN 14 16.930 -2.134 -12.592 98 HB2 GLN 14 2HB GLN 14 15.721 -1.188 -9.991 99 HB3 GLN 14 3HB GLN 14 17.459 -1.258 -10.247 100 HG2 GLN 14 2HG GLN 14 17.207 0.277 -12.166 101 HG3 GLN 14 3HG GLN 14 15.483 0.390 -11.814 102 HE21 GLN 14 1HE2 GLN 14 17.674 2.408 -11.781 103 HE22 GLN 14 2HE2 GLN 14 17.593 3.123 -10.206 104 H GLU 15 H GLU 15 14.994 -3.804 -10.129 105 HA GLU 15 HA GLU 15 17.064 -5.351 -9.031 106 HB2 GLU 15 2HB GLU 15 14.087 -5.712 -9.168 107 HB3 GLU 15 3HB GLU 15 15.103 -6.980 -8.492 108 HG2 GLU 15 2HG GLU 15 14.906 -4.135 -7.523 109 HG3 GLU 15 3HG GLU 15 14.250 -5.569 -6.731 110 H HIS 16 H HIS 16 14.790 -6.200 -11.672 111 HA HIS 16 HA HIS 16 15.779 -8.743 -12.212 112 HB2 HIS 16 2HB HIS 16 14.578 -6.693 -14.077 113 HB3 HIS 16 3HB HIS 16 15.000 -8.320 -14.601 114 HD1 HIS 16 HD1 HIS 16 13.767 -10.284 -13.067 115 HD2 HIS 16 HD2 HIS 16 12.035 -6.508 -13.130 116 HE1 HIS 16 HE1 HIS 16 11.393 -10.624 -12.341 117 HE2 HIS 16 HE2 HIS 16 10.351 -8.341 -12.434 118 H LEU 17 H LEU 17 17.030 -5.607 -13.320 119 HA LEU 17 HA LEU 17 19.061 -6.548 -15.010 120 HB2 LEU 17 2HB LEU 17 18.985 -4.102 -13.233 121 HB3 LEU 17 3HB LEU 17 20.237 -4.394 -14.425 122 HG LEU 17 HG LEU 17 17.295 -4.081 -15.062 123 HD11 LEU 17 1HD1 LEU 17 17.916 -1.896 -15.968 124 HD12 LEU 17 2HD1 LEU 17 19.569 -2.122 -15.392 125 HD13 LEU 17 3HD1 LEU 17 18.241 -1.991 -14.238 126 HD21 LEU 17 3HD2 LEU 17 18.492 -5.478 -16.673 127 HD22 LEU 17 1HD2 LEU 17 19.712 -4.217 -16.872 128 HD23 LEU 17 2HD2 LEU 17 18.048 -3.927 -17.382 129 H LYS 18 H LYS 18 19.254 -5.763 -11.517 130 HA LYS 18 HA LYS 18 21.894 -6.603 -11.080 131 HB2 LYS 18 2HB LYS 18 19.604 -6.866 -9.114 132 HB3 LYS 18 3HB LYS 18 21.317 -6.805 -8.725 133 HG2 LYS 18 2HG LYS 18 21.374 -4.481 -9.627 134 HG3 LYS 18 3HG LYS 18 19.620 -4.570 -9.829 135 HD2 LYS 18 2HD LYS 18 19.453 -5.100 -7.377 136 HD3 LYS 18 3HD LYS 18 21.180 -4.765 -7.247 137 HE2 LYS 18 2HE LYS 18 19.939 -2.809 -6.578 138 HE3 LYS 18 3HE LYS 18 20.754 -2.477 -8.106 139 HZ1 LYS 18 3HZ LYS 18 17.909 -3.291 -7.865 140 HZ2 LYS 18 1HZ LYS 18 18.710 -2.802 -9.276 141 HZ3 LYS 18 2HZ LYS 18 18.434 -1.691 -8.030 142 H HIS 19 H HIS 19 18.887 -8.421 -11.168 143 HA HIS 19 HA HIS 19 20.181 -10.895 -10.335 144 HB2 HIS 19 2HB HIS 19 17.299 -10.371 -11.114 145 HB3 HIS 19 3HB HIS 19 17.920 -11.852 -10.390 146 HD1 HIS 19 HD1 HIS 19 19.431 -11.013 -8.006 147 HD2 HIS 19 HD2 HIS 19 15.991 -9.000 -9.181 148 HE1 HIS 19 HE1 HIS 19 18.638 -9.788 -5.966 149 HE2 HIS 19 HE2 HIS 19 16.689 -8.412 -6.758 150 H ASP 20 H ASP 20 20.649 -9.481 -13.025 151 HA ASP 20 HA ASP 20 21.514 -10.242 -14.984 152 HB2 ASP 20 2HB ASP 20 22.193 -12.269 -13.798 153 HB3 ASP 20 3HB ASP 20 20.601 -12.974 -14.057 154 H ASN 21 H ASN 21 18.238 -10.480 -14.208 155 HA ASN 21 HA ASN 21 17.340 -11.514 -16.758 156 HB2 ASN 21 2HB ASN 21 15.742 -10.226 -14.531 157 HB3 ASN 21 3HB ASN 21 15.074 -11.086 -15.916 158 HD21 ASN 21 1HD2 ASN 21 15.439 -13.346 -16.069 159 HD22 ASN 21 2HD2 ASN 21 15.780 -14.284 -14.660 160 H ALA 22 H ALA 22 18.797 -9.682 -17.694 161 HA ALA 22 HA ALA 22 17.945 -7.003 -17.713 162 HB1 ALA 22 3HB ALA 22 20.184 -7.708 -18.406 163 HB2 ALA 22 1HB ALA 22 19.402 -6.736 -19.653 164 HB3 ALA 22 2HB ALA 22 19.503 -8.489 -19.833 165 H SER 23 H SER 23 17.178 -9.694 -19.909 166 HA SER 23 HA SER 23 15.684 -8.244 -21.797 167 HB2 SER 23 2HB SER 23 15.309 -11.132 -20.948 168 HB3 SER 23 3HB SER 23 14.702 -10.409 -22.439 169 HG SER 23 HG SER 23 16.604 -11.367 -22.980 170 H ARG 24 H ARG 24 14.591 -9.916 -18.838 171 HA ARG 24 HA ARG 24 11.854 -9.193 -19.126 172 HB2 ARG 24 2HB ARG 24 13.462 -10.065 -16.717 173 HB3 ARG 24 3HB ARG 24 11.735 -9.743 -16.645 174 HG2 ARG 24 2HG ARG 24 13.058 -11.830 -18.382 175 HG3 ARG 24 3HG ARG 24 12.213 -12.132 -16.862 176 HD2 ARG 24 2HD ARG 24 10.147 -11.175 -17.896 177 HD3 ARG 24 3HD ARG 24 11.018 -11.060 -19.425 178 HE ARG 24 HE ARG 24 11.084 -13.697 -18.336 179 HH11 ARG 24 1HH1 ARG 24 9.148 -11.509 -20.182 180 HH12 ARG 24 2HH1 ARG 24 8.229 -12.778 -20.909 181 HH21 ARG 24 1HH2 ARG 24 9.902 -15.300 -19.278 182 HH22 ARG 24 2HH2 ARG 24 8.660 -14.905 -20.415 183 H ALA 25 H ALA 25 14.611 -7.627 -17.578 184 HA ALA 25 HA ALA 25 13.200 -5.540 -16.287 185 HB1 ALA 25 3HB ALA 25 16.018 -5.493 -17.374 186 HB2 ALA 25 1HB ALA 25 15.543 -6.103 -15.789 187 HB3 ALA 25 2HB ALA 25 15.342 -4.394 -16.171 188 H LEU 26 H LEU 26 14.813 -5.655 -19.466 189 HA LEU 26 HA LEU 26 14.203 -3.167 -20.475 190 HB2 LEU 26 2HB LEU 26 15.604 -4.824 -21.628 191 HB3 LEU 26 3HB LEU 26 14.195 -5.818 -21.940 192 HG LEU 26 HG LEU 26 13.274 -4.041 -23.396 193 HD11 LEU 26 1HD1 LEU 26 14.675 -2.157 -24.069 194 HD12 LEU 26 2HD1 LEU 26 15.907 -2.648 -22.905 195 HD13 LEU 26 3HD1 LEU 26 14.326 -2.108 -22.341 196 HD21 LEU 26 3HD2 LEU 26 14.589 -5.842 -24.384 197 HD22 LEU 26 1HD2 LEU 26 16.074 -4.925 -24.118 198 HD23 LEU 26 2HD2 LEU 26 14.857 -4.330 -25.249 199 H ALA 27 H ALA 27 12.187 -6.094 -20.586 200 HA ALA 27 HA ALA 27 9.958 -5.073 -21.895 201 HB1 ALA 27 3HB ALA 27 8.700 -6.882 -20.849 202 HB2 ALA 27 1HB ALA 27 10.000 -7.128 -19.683 203 HB3 ALA 27 2HB ALA 27 10.278 -7.449 -21.396 204 H LEU 28 H LEU 28 10.834 -4.834 -18.459 205 HA LEU 28 HA LEU 28 8.361 -3.610 -17.680 206 HB2 LEU 28 2HB LEU 28 11.008 -3.904 -16.276 207 HB3 LEU 28 3HB LEU 28 9.643 -3.074 -15.551 208 HG LEU 28 HG LEU 28 9.744 -5.989 -16.358 209 HD11 LEU 28 1HD1 LEU 28 11.002 -5.505 -14.335 210 HD12 LEU 28 2HD1 LEU 28 9.537 -6.407 -13.954 211 HD13 LEU 28 3HD1 LEU 28 9.607 -4.672 -13.645 212 HD21 LEU 28 3HD2 LEU 28 7.510 -6.160 -15.366 213 HD22 LEU 28 1HD2 LEU 28 7.515 -5.063 -16.747 214 HD23 LEU 28 2HD2 LEU 28 7.486 -4.415 -15.106 215 H PHE 29 H PHE 29 11.555 -2.334 -18.592 216 HA PHE 29 HA PHE 29 10.956 0.384 -18.023 217 HB2 PHE 29 2HB PHE 29 12.900 -0.880 -19.961 218 HB3 PHE 29 3HB PHE 29 12.762 0.863 -19.764 219 HD1 PHE 29 HD2 PHE 29 13.048 1.778 -17.356 220 HD2 PHE 29 HD1 PHE 29 14.362 -2.077 -18.602 221 HE1 PHE 29 HE2 PHE 29 14.612 1.701 -15.460 222 HE2 PHE 29 HE1 PHE 29 15.928 -2.158 -16.705 223 HZ PHE 29 HZ PHE 29 16.056 -0.267 -15.133 224 H GLU 30 H GLU 30 10.534 -1.586 -20.950 225 HA GLU 30 HA GLU 30 9.306 0.461 -22.500 226 HB2 GLU 30 2HB GLU 30 9.026 -2.549 -22.730 227 HB3 GLU 30 3HB GLU 30 8.568 -1.381 -23.965 228 HG2 GLU 30 2HG GLU 30 10.913 -0.676 -24.157 229 HG3 GLU 30 3HG GLU 30 11.364 -1.859 -22.931 230 H GLU 31 H GLU 31 8.068 -1.984 -20.275 231 HA GLU 31 HA GLU 31 5.314 -1.543 -20.460 232 HB2 GLU 31 2HB GLU 31 6.251 -3.351 -19.125 233 HB3 GLU 31 3HB GLU 31 7.042 -2.205 -18.059 234 HG2 GLU 31 2HG GLU 31 5.203 -2.993 -16.856 235 HG3 GLU 31 3HG GLU 31 4.721 -1.398 -17.426 236 H LEU 32 H LEU 32 7.759 0.154 -18.502 237 HA LEU 32 HA LEU 32 6.157 2.063 -17.271 238 HB2 LEU 32 2HB LEU 32 9.010 2.069 -18.203 239 HB3 LEU 32 3HB LEU 32 8.312 3.529 -17.530 240 HG LEU 32 HG LEU 32 8.334 0.903 -16.035 241 HD11 LEU 32 1HD1 LEU 32 10.278 1.753 -14.812 242 HD12 LEU 32 2HD1 LEU 32 10.354 3.146 -15.892 243 HD13 LEU 32 3HD1 LEU 32 10.643 1.524 -16.522 244 HD21 LEU 32 3HD2 LEU 32 7.952 3.773 -15.159 245 HD22 LEU 32 1HD2 LEU 32 8.001 2.371 -14.090 246 HD23 LEU 32 2HD2 LEU 32 6.697 2.537 -15.266 247 H VAL 33 H VAL 33 7.886 2.381 -20.391 248 HA VAL 33 HA VAL 33 7.043 4.948 -21.050 249 HB VAL 33 HB VAL 33 7.595 2.682 -22.981 250 HG11 VAL 33 1HG1 VAL 33 8.171 4.469 -24.581 251 HG12 VAL 33 2HG1 VAL 33 7.631 5.674 -23.410 252 HG13 VAL 33 3HG1 VAL 33 6.476 4.529 -24.094 253 HG21 VAL 33 3HG2 VAL 33 9.887 3.569 -23.054 254 HG22 VAL 33 1HG2 VAL 33 9.451 3.024 -21.434 255 HG23 VAL 33 2HG2 VAL 33 9.467 4.747 -21.809 256 H GLU 34 H GLU 34 5.447 1.854 -21.893 257 HA GLU 34 HA GLU 34 3.425 3.108 -23.466 258 HB2 GLU 34 2HB GLU 34 2.365 0.912 -23.558 259 HB3 GLU 34 3HB GLU 34 4.091 0.792 -23.864 260 HG2 GLU 34 2HG GLU 34 4.440 0.028 -21.559 261 HG3 GLU 34 3HG GLU 34 2.704 0.127 -21.270 262 H THR 35 H THR 35 3.639 2.330 -20.053 263 HA THR 35 HA THR 35 0.780 2.895 -19.657 264 HB THR 35 HB THR 35 1.132 2.208 -17.305 265 HG1 THR 35 HG1 THR 35 3.826 1.950 -18.183 266 HG21 THR 35 3HG2 THR 35 0.493 0.533 -18.976 267 HG22 THR 35 1HG2 THR 35 1.536 -0.171 -17.740 268 HG23 THR 35 2HG2 THR 35 2.195 0.227 -19.327 269 H ASP 36 H ASP 36 3.809 4.474 -19.359 270 HA ASP 36 HA ASP 36 2.599 6.902 -18.425 271 HB2 ASP 36 2HB ASP 36 2.964 5.556 -16.309 272 HB3 ASP 36 3HB ASP 36 4.692 5.646 -16.627 273 HA PRO 37 HA PRO 37 6.346 7.764 -20.942 274 HB2 PRO 37 2HB PRO 37 5.258 9.610 -22.553 275 HB3 PRO 37 3HB PRO 37 4.936 7.886 -22.794 276 HG2 PRO 37 2HG PRO 37 3.226 9.966 -21.471 277 HG3 PRO 37 3HG PRO 37 2.754 8.691 -22.610 278 HD2 PRO 37 2HD PRO 37 2.470 8.506 -19.873 279 HD3 PRO 37 3HD PRO 37 2.607 7.107 -20.957 280 H ASP 38 H ASP 38 4.733 9.319 -18.522 281 HA ASP 38 HA ASP 38 5.947 11.953 -18.834 282 HB2 ASP 38 2HB ASP 38 4.213 10.865 -16.597 283 HB3 ASP 38 3HB ASP 38 4.669 12.550 -16.833 284 H TYR 39 H TYR 39 6.502 8.988 -17.100 285 HA TYR 39 HA TYR 39 8.206 10.054 -15.075 286 HB2 TYR 39 2HB TYR 39 7.009 7.811 -15.016 287 HB3 TYR 39 3HB TYR 39 8.235 7.216 -16.130 288 HD1 TYR 39 HD1 TYR 39 7.819 8.776 -12.775 289 HD2 TYR 39 HD2 TYR 39 10.265 6.352 -15.278 290 HE1 TYR 39 HE1 TYR 39 9.275 8.278 -10.863 291 HE2 TYR 39 HE2 TYR 39 11.730 5.850 -13.367 292 HH TYR 39 HH TYR 39 12.335 6.898 -11.182 293 H VAL 40 H VAL 40 9.800 11.338 -15.921 294 HA VAL 40 HA VAL 40 11.263 10.909 -18.261 295 HB VAL 40 HB VAL 40 12.198 12.414 -15.805 296 HG11 VAL 40 1HG1 VAL 40 13.546 13.725 -17.402 297 HG12 VAL 40 2HG1 VAL 40 13.032 12.649 -18.702 298 HG13 VAL 40 3HG1 VAL 40 14.013 12.025 -17.375 299 HG21 VAL 40 3HG2 VAL 40 9.995 13.186 -16.523 300 HG22 VAL 40 1HG2 VAL 40 10.588 13.391 -18.172 301 HG23 VAL 40 2HG2 VAL 40 11.222 14.403 -16.874 302 H GLY 41 H GLY 41 11.892 9.761 -14.980 303 HA2 GLY 41 2HA GLY 41 14.528 8.908 -15.194 304 HA3 GLY 41 3HA GLY 41 13.315 8.135 -14.187 305 H THR 42 H THR 42 11.619 7.323 -16.409 306 HA THR 42 HA THR 42 12.640 4.793 -17.007 307 HB THR 42 HB THR 42 10.583 6.366 -18.586 308 HG1 THR 42 HG1 THR 42 9.130 5.603 -17.178 309 HG21 THR 42 3HG2 THR 42 11.448 4.484 -19.882 310 HG22 THR 42 1HG2 THR 42 9.795 4.166 -19.361 311 HG23 THR 42 2HG2 THR 42 11.145 3.394 -18.528 312 H TYR 43 H TYR 43 12.475 7.658 -19.136 313 HA TYR 43 HA TYR 43 13.564 6.489 -21.424 314 HB2 TYR 43 2HB TYR 43 13.669 9.375 -20.522 315 HB3 TYR 43 3HB TYR 43 14.065 8.823 -22.147 316 HD1 TYR 43 HD1 TYR 43 11.339 9.300 -19.713 317 HD2 TYR 43 HD2 TYR 43 12.332 8.192 -23.703 318 HE1 TYR 43 HE1 TYR 43 8.973 9.483 -20.348 319 HE2 TYR 43 HE2 TYR 43 9.967 8.374 -24.346 320 HH TYR 43 HH TYR 43 7.606 9.786 -22.275 321 H TYR 44 H TYR 44 15.225 8.287 -18.841 322 HA TYR 44 HA TYR 44 17.772 8.346 -19.990 323 HB2 TYR 44 2HB TYR 44 17.105 9.668 -18.003 324 HB3 TYR 44 3HB TYR 44 17.093 8.195 -17.041 325 HD1 TYR 44 HD2 TYR 44 19.242 10.607 -18.822 326 HD2 TYR 44 HD1 TYR 44 19.164 7.204 -16.256 327 HE1 TYR 44 HE2 TYR 44 21.630 10.923 -18.335 328 HE2 TYR 44 HE1 TYR 44 21.552 7.515 -15.766 329 HH TYR 44 HH TYR 44 23.225 10.332 -16.489 330 H HIS 45 H HIS 45 16.466 5.987 -17.639 331 HA HIS 45 HA HIS 45 18.861 4.410 -17.677 332 HB2 HIS 45 2HB HIS 45 16.126 3.866 -16.505 333 HB3 HIS 45 3HB HIS 45 17.524 2.816 -16.280 334 HD1 HIS 45 HD1 HIS 45 19.209 3.480 -14.522 335 HD2 HIS 45 HD2 HIS 45 16.395 6.450 -15.249 336 HE1 HIS 45 HE1 HIS 45 19.610 5.232 -12.774 337 HE2 HIS 45 HE2 HIS 45 17.781 6.920 -13.118 338 H LEU 46 H LEU 46 15.749 4.186 -19.324 339 HA LEU 46 HA LEU 46 16.070 1.615 -20.441 340 HB2 LEU 46 2HB LEU 46 13.923 2.757 -20.459 341 HB3 LEU 46 3HB LEU 46 14.571 4.029 -21.475 342 HG LEU 46 HG LEU 46 14.805 2.475 -23.339 343 HD11 LEU 46 1HD1 LEU 46 15.300 0.442 -22.094 344 HD12 LEU 46 2HD1 LEU 46 13.953 0.189 -23.203 345 HD13 LEU 46 3HD1 LEU 46 13.648 0.401 -21.479 346 HD21 LEU 46 3HD2 LEU 46 12.061 2.351 -22.078 347 HD22 LEU 46 1HD2 LEU 46 12.435 2.052 -23.776 348 HD23 LEU 46 2HD2 LEU 46 12.685 3.656 -23.090 349 H GLY 47 H GLY 47 17.030 4.833 -21.607 350 HA2 GLY 47 2HA GLY 47 18.167 4.075 -24.057 351 HA3 GLY 47 3HA GLY 47 18.643 5.477 -23.110 352 H LYS 48 H LYS 48 19.719 4.379 -20.851 353 HA LYS 48 HA LYS 48 22.306 3.614 -21.594 354 HB2 LYS 48 2HB LYS 48 20.978 2.977 -18.947 355 HB3 LYS 48 3HB LYS 48 22.702 3.125 -19.249 356 HG2 LYS 48 2HG LYS 48 20.685 5.362 -19.421 357 HG3 LYS 48 3HG LYS 48 21.793 5.075 -18.085 358 HD2 LYS 48 2HD LYS 48 22.747 5.565 -20.904 359 HD3 LYS 48 3HD LYS 48 22.445 6.875 -19.765 360 HE2 LYS 48 2HE LYS 48 24.768 6.410 -19.664 361 HE3 LYS 48 3HE LYS 48 24.062 5.744 -18.195 362 HZ1 LYS 48 3HZ LYS 48 24.193 3.557 -19.100 363 HZ2 LYS 48 1HZ LYS 48 25.706 4.283 -19.293 364 HZ3 LYS 48 2HZ LYS 48 24.665 4.136 -20.617 365 H LEU 49 H LEU 49 19.483 1.650 -20.817 366 HA LEU 49 HA LEU 49 20.819 -0.861 -20.784 367 HB2 LEU 49 2HB LEU 49 18.605 -0.460 -19.762 368 HB3 LEU 49 3HB LEU 49 17.914 -0.249 -21.359 369 HG LEU 49 HG LEU 49 18.296 -2.583 -21.901 370 HD11 LEU 49 1HD1 LEU 49 20.436 -2.874 -20.730 371 HD12 LEU 49 2HD1 LEU 49 19.290 -4.144 -20.310 372 HD13 LEU 49 3HD1 LEU 49 19.593 -2.824 -19.180 373 HD21 LEU 49 3HD2 LEU 49 16.837 -3.649 -20.267 374 HD22 LEU 49 1HD2 LEU 49 16.257 -2.028 -20.655 375 HD23 LEU 49 2HD2 LEU 49 17.106 -2.322 -19.137 376 H TYR 50 H TYR 50 19.201 0.989 -23.358 377 HA TYR 50 HA TYR 50 19.571 -0.925 -25.415 378 HB2 TYR 50 2HB TYR 50 19.243 2.075 -25.489 379 HB3 TYR 50 3HB TYR 50 19.472 1.130 -26.954 380 HD1 TYR 50 HD2 TYR 50 17.843 -1.183 -26.709 381 HD2 TYR 50 HD1 TYR 50 17.037 2.753 -25.295 382 HE1 TYR 50 HE2 TYR 50 15.430 -1.643 -26.821 383 HE2 TYR 50 HE1 TYR 50 14.624 2.302 -25.408 384 HH TYR 50 HH TYR 50 13.342 -0.830 -25.827 385 H GLU 51 H GLU 51 21.618 1.815 -24.369 386 HA GLU 51 HA GLU 51 23.738 1.575 -26.135 387 HB2 GLU 51 2HB GLU 51 23.914 2.146 -23.159 388 HB3 GLU 51 3HB GLU 51 25.173 2.493 -24.335 389 HG2 GLU 51 2HG GLU 51 23.742 4.127 -25.427 390 HG3 GLU 51 3HG GLU 51 22.424 3.739 -24.322 391 H ARG 52 H ARG 52 23.161 -0.216 -23.139 392 HA ARG 52 HA ARG 52 25.500 -1.749 -23.042 393 HB2 ARG 52 2HB ARG 52 23.849 -1.490 -21.198 394 HB3 ARG 52 3HB ARG 52 22.735 -2.526 -22.077 395 HG2 ARG 52 2HG ARG 52 24.388 -4.361 -21.940 396 HG3 ARG 52 3HG ARG 52 25.429 -3.312 -20.975 397 HD2 ARG 52 2HD ARG 52 23.602 -3.112 -19.303 398 HD3 ARG 52 3HD ARG 52 22.650 -4.259 -20.247 399 HE ARG 52 HE ARG 52 25.291 -5.065 -19.280 400 HH11 ARG 52 1HH1 ARG 52 21.860 -5.384 -19.088 401 HH12 ARG 52 2HH1 ARG 52 21.949 -6.861 -18.192 402 HH21 ARG 52 1HH2 ARG 52 25.376 -6.921 -18.100 403 HH22 ARG 52 2HH2 ARG 52 23.907 -7.712 -17.633 404 H LEU 53 H LEU 53 22.522 -2.257 -24.851 405 HA LEU 53 HA LEU 53 23.349 -4.949 -25.675 406 HB2 LEU 53 2HB LEU 53 20.792 -3.422 -26.191 407 HB3 LEU 53 3HB LEU 53 21.088 -5.085 -26.668 408 HG LEU 53 HG LEU 53 20.947 -4.058 -23.823 409 HD11 LEU 53 1HD1 LEU 53 19.035 -5.815 -25.366 410 HD12 LEU 53 2HD1 LEU 53 18.771 -4.120 -24.954 411 HD13 LEU 53 3HD1 LEU 53 18.880 -5.329 -23.675 412 HD21 LEU 53 3HD2 LEU 53 21.068 -6.423 -23.178 413 HD22 LEU 53 1HD2 LEU 53 22.530 -5.903 -24.016 414 HD23 LEU 53 2HD2 LEU 53 21.324 -6.871 -24.866 415 H ASP 54 H ASP 54 24.574 -2.332 -26.680 416 HA ASP 54 HA ASP 54 25.527 -1.577 -28.602 417 HB2 ASP 54 2HB ASP 54 25.937 -4.005 -29.017 418 HB3 ASP 54 3HB ASP 54 24.412 -4.084 -29.890 419 H ARG 55 H ARG 55 22.386 -1.555 -28.029 420 HA ARG 55 HA ARG 55 21.349 -0.806 -30.634 421 HB2 ARG 55 2HB ARG 55 20.041 -0.742 -27.903 422 HB3 ARG 55 3HB ARG 55 19.219 -0.486 -29.437 423 HG2 ARG 55 2HG ARG 55 20.563 -3.035 -28.543 424 HG3 ARG 55 3HG ARG 55 18.826 -2.731 -28.599 425 HD2 ARG 55 2HD ARG 55 20.726 -2.851 -30.946 426 HD3 ARG 55 3HD ARG 55 19.472 -4.023 -30.535 427 HE ARG 55 HE ARG 55 18.581 -1.304 -31.028 428 HH11 ARG 55 1HH1 ARG 55 19.033 -4.463 -32.325 429 HH12 ARG 55 2HH1 ARG 55 17.917 -4.200 -33.618 430 HH21 ARG 55 1HH2 ARG 55 17.177 -0.975 -32.669 431 HH22 ARG 55 2HH2 ARG 55 16.860 -2.251 -33.802 432 H THR 56 H THR 56 23.422 0.851 -30.024 433 HA THR 56 HA THR 56 23.042 3.184 -28.613 434 HB THR 56 HB THR 56 24.408 2.998 -31.315 435 HG1 THR 56 HG1 THR 56 25.996 1.993 -30.323 436 HG21 THR 56 3HG2 THR 56 24.852 4.881 -28.987 437 HG22 THR 56 1HG2 THR 56 24.113 5.305 -30.530 438 HG23 THR 56 2HG2 THR 56 25.811 4.833 -30.466 439 H ASP 57 H ASP 57 22.018 2.503 -31.940 440 HA ASP 57 HA ASP 57 21.065 5.017 -32.657 441 HB2 ASP 57 2HB ASP 57 21.408 2.987 -34.133 442 HB3 ASP 57 3HB ASP 57 19.871 2.376 -33.532 443 H ASP 58 H ASP 58 19.261 2.294 -31.210 444 HA ASP 58 HA ASP 58 16.786 3.613 -30.927 445 HB2 ASP 58 2HB ASP 58 17.930 1.386 -29.223 446 HB3 ASP 58 3HB ASP 58 16.229 1.831 -29.341 447 H ALA 59 H ALA 59 19.535 3.301 -28.693 448 HA ALA 59 HA ALA 59 18.460 4.495 -26.424 449 HB1 ALA 59 3HB ALA 59 20.641 3.383 -26.464 450 HB2 ALA 59 1HB ALA 59 20.760 5.001 -25.771 451 HB3 ALA 59 2HB ALA 59 21.302 4.706 -27.424 452 H ILE 60 H ILE 60 20.218 6.067 -29.096 453 HA ILE 60 HA ILE 60 20.132 8.703 -28.229 454 HB ILE 60 HB ILE 60 19.928 7.711 -31.086 455 HG12 ILE 60 2HG1 ILE 60 22.386 8.496 -29.488 456 HG13 ILE 60 3HG1 ILE 60 21.885 6.834 -29.785 457 HG21 ILE 60 1HG2 ILE 60 19.334 10.062 -30.936 458 HG22 ILE 60 2HG2 ILE 60 20.921 9.893 -31.686 459 HG23 ILE 60 3HG2 ILE 60 20.791 10.397 -30.001 460 HD11 ILE 60 3HD1 ILE 60 22.178 7.175 -32.182 461 HD12 ILE 60 1HD1 ILE 60 23.662 7.506 -31.290 462 HD13 ILE 60 2HD1 ILE 60 22.675 8.841 -31.885 463 H ASP 61 H ASP 61 17.719 6.977 -30.223 464 HA ASP 61 HA ASP 61 15.898 9.126 -30.468 465 HB2 ASP 61 2HB ASP 61 15.891 7.111 -31.918 466 HB3 ASP 61 3HB ASP 61 15.318 6.151 -30.557 467 H THR 62 H THR 62 16.197 6.537 -28.076 468 HA THR 62 HA THR 62 13.871 6.979 -26.584 469 HB THR 62 HB THR 62 16.583 6.126 -25.516 470 HG1 THR 62 HG1 THR 62 15.532 4.825 -27.255 471 HG21 THR 62 3HG2 THR 62 15.303 5.060 -23.705 472 HG22 THR 62 1HG2 THR 62 13.812 5.737 -24.357 473 HG23 THR 62 2HG2 THR 62 15.060 6.808 -23.718 474 H TYR 63 H TYR 63 17.107 8.432 -26.198 475 HA TYR 63 HA TYR 63 16.404 10.207 -24.105 476 HB2 TYR 63 2HB TYR 63 18.580 10.523 -26.191 477 HB3 TYR 63 3HB TYR 63 18.467 11.420 -24.679 478 HD1 TYR 63 HD2 TYR 63 17.989 9.556 -22.612 479 HD2 TYR 63 HD1 TYR 63 20.306 8.987 -26.141 480 HE1 TYR 63 HE2 TYR 63 19.287 7.806 -21.474 481 HE2 TYR 63 HE1 TYR 63 21.606 7.236 -25.009 482 HH TYR 63 HH TYR 63 22.145 6.424 -22.897 483 H ALA 64 H ALA 64 16.225 10.474 -27.618 484 HA ALA 64 HA ALA 64 15.758 13.211 -27.890 485 HB1 ALA 64 3HB ALA 64 14.597 10.986 -29.572 486 HB2 ALA 64 1HB ALA 64 16.198 11.699 -29.773 487 HB3 ALA 64 2HB ALA 64 14.757 12.678 -30.045 488 H GLN 65 H GLN 65 13.348 10.593 -27.481 489 HA GLN 65 HA GLN 65 11.118 12.364 -27.282 490 HB2 GLN 65 2HB GLN 65 11.397 9.639 -27.535 491 HB3 GLN 65 3HB GLN 65 10.893 9.778 -25.858 492 HG2 GLN 65 2HG GLN 65 9.414 10.925 -28.224 493 HG3 GLN 65 3HG GLN 65 9.013 9.423 -27.399 494 HE21 GLN 65 1HE2 GLN 65 9.503 10.429 -24.738 495 HE22 GLN 65 2HE2 GLN 65 8.225 11.526 -24.382 496 H GLY 66 H GLY 66 13.294 10.872 -24.929 497 HA2 GLY 66 2HA GLY 66 12.085 11.682 -22.544 498 HA3 GLY 66 3HA GLY 66 13.812 11.448 -22.766 499 H ILE 67 H ILE 67 14.246 13.486 -24.697 500 HA ILE 67 HA ILE 67 14.735 15.748 -23.162 501 HB ILE 67 HB ILE 67 14.418 15.422 -26.150 502 HG12 ILE 67 2HG1 ILE 67 16.860 15.822 -24.393 503 HG13 ILE 67 3HG1 ILE 67 16.342 14.294 -25.096 504 HG21 ILE 67 1HG2 ILE 67 15.343 17.900 -24.690 505 HG22 ILE 67 2HG2 ILE 67 13.870 17.738 -25.646 506 HG23 ILE 67 3HG2 ILE 67 15.446 17.641 -26.431 507 HD11 ILE 67 3HD1 ILE 67 18.168 15.234 -26.361 508 HD12 ILE 67 1HD1 ILE 67 17.264 16.727 -26.610 509 HD13 ILE 67 2HD1 ILE 67 16.700 15.223 -27.338 510 H GLU 68 H GLU 68 11.951 15.049 -25.266 511 HA GLU 68 HA GLU 68 10.648 17.525 -25.059 512 HB2 GLU 68 2HB GLU 68 9.380 14.788 -25.341 513 HB3 GLU 68 3HB GLU 68 8.624 16.323 -25.743 514 HG2 GLU 68 2HG GLU 68 11.062 15.178 -27.092 515 HG3 GLU 68 3HG GLU 68 9.416 15.094 -27.713 516 H VAL 69 H VAL 69 9.997 14.525 -23.205 517 HA VAL 69 HA VAL 69 8.104 15.797 -21.489 518 HB VAL 69 HB VAL 69 8.185 13.718 -20.143 519 HG11 VAL 69 1HG1 VAL 69 8.021 13.295 -23.134 520 HG12 VAL 69 2HG1 VAL 69 6.716 13.845 -22.081 521 HG13 VAL 69 3HG1 VAL 69 7.358 12.212 -21.909 522 HG21 VAL 69 3HG2 VAL 69 10.548 13.182 -20.332 523 HG22 VAL 69 1HG2 VAL 69 10.375 12.922 -22.069 524 HG23 VAL 69 2HG2 VAL 69 9.581 11.834 -20.930 525 H ALA 70 H ALA 70 11.565 15.391 -21.315 526 HA ALA 70 HA ALA 70 11.932 15.853 -18.550 527 HB1 ALA 70 3HB ALA 70 13.699 14.954 -19.999 528 HB2 ALA 70 1HB ALA 70 14.247 16.373 -19.106 529 HB3 ALA 70 2HB ALA 70 13.823 16.513 -20.814 530 H ARG 71 H ARG 71 11.990 18.113 -21.314 531 HA ARG 71 HA ARG 71 12.365 20.396 -19.586 532 HB2 ARG 71 2HB ARG 71 12.243 21.724 -21.648 533 HB3 ARG 71 3HB ARG 71 13.378 20.388 -21.793 534 HG2 ARG 71 2HG ARG 71 11.602 19.104 -22.991 535 HG3 ARG 71 3HG ARG 71 10.600 20.554 -22.953 536 HD2 ARG 71 2HD ARG 71 13.300 20.280 -24.279 537 HD3 ARG 71 3HD ARG 71 11.738 20.349 -25.095 538 HE ARG 71 HE ARG 71 12.160 22.639 -23.460 539 HH11 ARG 71 1HH1 ARG 71 12.975 21.235 -26.496 540 HH12 ARG 71 2HH1 ARG 71 13.310 22.762 -27.238 541 HH21 ARG 71 1HH2 ARG 71 12.614 24.589 -24.412 542 HH22 ARG 71 2HH2 ARG 71 13.116 24.636 -26.067 543 H GLU 72 H GLU 72 9.602 18.960 -21.298 544 HA GLU 72 HA GLU 72 7.828 21.149 -20.759 545 HB2 GLU 72 2HB GLU 72 7.159 18.285 -21.480 546 HB3 GLU 72 3HB GLU 72 6.042 19.641 -21.528 547 HG2 GLU 72 2HG GLU 72 8.485 19.263 -23.258 548 HG3 GLU 72 3HG GLU 72 6.806 19.070 -23.755 549 H GLU 73 H GLU 73 8.293 17.949 -19.262 550 HA GLU 73 HA GLU 73 6.332 18.638 -17.178 551 HB2 GLU 73 2HB GLU 73 7.568 15.963 -17.879 552 HB3 GLU 73 3HB GLU 73 6.322 16.229 -16.666 553 HG2 GLU 73 2HG GLU 73 6.025 16.732 -19.624 554 HG3 GLU 73 3HG GLU 73 5.417 15.325 -18.754 555 H GLY 74 H GLY 74 9.650 17.368 -17.510 556 HA2 GLY 74 2HA GLY 74 10.038 17.187 -14.658 557 HA3 GLY 74 3HA GLY 74 11.241 16.880 -15.896 558 H THR 75 H THR 75 12.763 18.417 -16.312 559 HA THR 75 HA THR 75 12.514 21.178 -15.705 560 HB THR 75 HB THR 75 12.655 20.545 -13.380 561 HG1 THR 75 HG1 THR 75 13.835 22.327 -13.417 562 HG21 THR 75 3HG2 THR 75 13.666 18.332 -13.614 563 HG22 THR 75 1HG2 THR 75 14.586 19.309 -12.473 564 HG23 THR 75 2HG2 THR 75 15.192 19.064 -14.112 565 H GLN 76 H GLN 76 14.745 22.278 -15.684 566 HA GLN 76 HA GLN 76 16.070 21.796 -18.083 567 HB2 GLN 76 2HB GLN 76 16.126 23.953 -16.960 568 HB3 GLN 76 3HB GLN 76 17.002 23.267 -15.602 569 HG2 GLN 76 2HG GLN 76 18.621 24.420 -16.814 570 HG3 GLN 76 3HG GLN 76 18.856 22.738 -17.277 571 HE21 GLN 76 1HE2 GLN 76 19.621 25.154 -18.685 572 HE22 GLN 76 2HE2 GLN 76 18.854 25.085 -20.230 573 H LYS 77 H LYS 77 16.859 20.649 -14.823 574 HA LYS 77 HA LYS 77 19.478 19.790 -15.228 575 HB2 LYS 77 2HB LYS 77 18.451 19.851 -13.009 576 HB3 LYS 77 3HB LYS 77 17.344 18.560 -13.466 577 HG2 LYS 77 2HG LYS 77 19.324 17.070 -13.795 578 HG3 LYS 77 3HG LYS 77 20.339 18.359 -13.147 579 HD2 LYS 77 2HD LYS 77 19.827 16.740 -11.411 580 HD3 LYS 77 3HD LYS 77 19.061 18.284 -11.042 581 HE2 LYS 77 2HE LYS 77 17.601 16.315 -10.616 582 HE3 LYS 77 3HE LYS 77 16.917 17.463 -11.765 583 HZ1 LYS 77 3HZ LYS 77 16.872 14.933 -12.259 584 HZ2 LYS 77 1HZ LYS 77 18.465 15.172 -12.773 585 HZ3 LYS 77 2HZ LYS 77 17.197 16.021 -13.507 586 H ASP 78 H ASP 78 16.480 17.861 -15.574 587 HA ASP 78 HA ASP 78 17.760 15.511 -16.471 588 HB2 ASP 78 2HB ASP 78 14.911 16.462 -16.886 589 HB3 ASP 78 3HB ASP 78 15.484 14.827 -17.218 590 H LEU 79 H LEU 79 16.367 18.258 -18.217 591 HA LEU 79 HA LEU 79 16.676 17.371 -20.836 592 HB2 LEU 79 2HB LEU 79 15.519 19.431 -20.323 593 HB3 LEU 79 3HB LEU 79 16.984 20.146 -19.676 594 HG LEU 79 HG LEU 79 17.983 20.170 -21.923 595 HD11 LEU 79 1HD1 LEU 79 16.883 18.217 -22.867 596 HD12 LEU 79 2HD1 LEU 79 16.620 19.631 -23.886 597 HD13 LEU 79 3HD1 LEU 79 15.330 19.054 -22.831 598 HD21 LEU 79 3HD2 LEU 79 15.240 21.432 -21.803 599 HD22 LEU 79 1HD2 LEU 79 16.533 21.885 -22.916 600 HD23 LEU 79 2HD2 LEU 79 16.739 22.126 -21.182 601 H SER 80 H SER 80 19.052 18.969 -18.721 602 HA SER 80 HA SER 80 21.169 19.042 -20.608 603 HB2 SER 80 2HB SER 80 21.167 20.424 -18.563 604 HB3 SER 80 3HB SER 80 21.334 18.971 -17.578 605 HG SER 80 HG SER 80 23.390 19.475 -17.804 606 H GLU 81 H GLU 81 20.418 16.723 -18.008 607 HA GLU 81 HA GLU 81 22.621 15.031 -18.329 608 HB2 GLU 81 2HB GLU 81 19.827 14.313 -17.391 609 HB3 GLU 81 3HB GLU 81 21.265 13.327 -17.152 610 HG2 GLU 81 2HG GLU 81 22.258 15.126 -15.796 611 HG3 GLU 81 3HG GLU 81 20.795 16.081 -16.013 612 H LEU 82 H LEU 82 19.463 14.964 -19.944 613 HA LEU 82 HA LEU 82 19.925 12.525 -21.347 614 HB2 LEU 82 2HB LEU 82 17.959 14.763 -21.832 615 HB3 LEU 82 3HB LEU 82 17.957 13.251 -22.724 616 HG LEU 82 HG LEU 82 17.570 13.483 -19.731 617 HD11 LEU 82 1HD1 LEU 82 15.539 13.000 -21.909 618 HD12 LEU 82 2HD1 LEU 82 15.688 14.456 -20.922 619 HD13 LEU 82 3HD1 LEU 82 15.231 12.928 -20.173 620 HD21 LEU 82 3HD2 LEU 82 16.899 11.129 -19.867 621 HD22 LEU 82 1HD2 LEU 82 18.566 11.358 -20.396 622 HD23 LEU 82 2HD2 LEU 82 17.288 11.115 -21.588 623 H GLN 83 H GLN 83 20.491 15.927 -22.164 624 HA GLN 83 HA GLN 83 21.184 15.549 -24.871 625 HB2 GLN 83 2HB GLN 83 22.038 17.637 -22.858 626 HB3 GLN 83 3HB GLN 83 22.554 17.681 -24.539 627 HG2 GLN 83 2HG GLN 83 20.224 17.823 -25.259 628 HG3 GLN 83 3HG GLN 83 19.695 17.757 -23.579 629 HE21 GLN 83 1HE2 GLN 83 20.001 19.560 -22.268 630 HE22 GLN 83 2HE2 GLN 83 20.363 21.120 -22.915 631 H ASP 84 H ASP 84 23.228 15.542 -21.945 632 HA ASP 84 HA ASP 84 25.664 14.894 -23.203 633 HB2 ASP 84 2HB ASP 84 25.547 15.669 -20.879 634 HB3 ASP 84 3HB ASP 84 24.689 14.204 -20.414 635 H ALA 85 H ALA 85 23.062 12.847 -21.944 636 HA ALA 85 HA ALA 85 24.224 10.340 -22.089 637 HB1 ALA 85 3HB ALA 85 22.041 10.788 -21.077 638 HB2 ALA 85 1HB ALA 85 21.964 9.445 -22.217 639 HB3 ALA 85 2HB ALA 85 21.350 11.031 -22.681 640 H LYS 86 H LYS 86 22.348 11.956 -24.685 641 HA LYS 86 HA LYS 86 22.950 9.926 -26.617 642 HB2 LYS 86 2HB LYS 86 22.046 11.578 -28.284 643 HB3 LYS 86 3HB LYS 86 20.946 11.190 -26.969 644 HG2 LYS 86 2HG LYS 86 21.522 13.286 -25.855 645 HG3 LYS 86 3HG LYS 86 22.650 13.675 -27.151 646 HD2 LYS 86 2HD LYS 86 19.791 13.110 -27.837 647 HD3 LYS 86 3HD LYS 86 20.204 14.666 -27.121 648 HE2 LYS 86 2HE LYS 86 20.202 14.883 -29.519 649 HE3 LYS 86 3HE LYS 86 21.858 15.017 -28.935 650 HZ1 LYS 86 3HZ LYS 86 21.672 13.655 -30.929 651 HZ2 LYS 86 1HZ LYS 86 20.660 12.570 -30.122 652 HZ3 LYS 86 2HZ LYS 86 22.271 12.762 -29.631 653 H LEU 87 H LEU 87 24.353 13.076 -25.828 654 HA LEU 87 HA LEU 87 25.930 13.505 -28.068 655 HB2 LEU 87 2HB LEU 87 25.542 15.162 -26.296 656 HB3 LEU 87 3HB LEU 87 26.547 14.233 -25.200 657 HG LEU 87 HG LEU 87 28.504 14.653 -26.669 658 HD11 LEU 87 1HD1 LEU 87 27.314 14.945 -28.787 659 HD12 LEU 87 2HD1 LEU 87 28.359 16.321 -28.443 660 HD13 LEU 87 3HD1 LEU 87 26.617 16.453 -28.194 661 HD21 LEU 87 3HD2 LEU 87 27.068 17.158 -25.779 662 HD22 LEU 87 1HD2 LEU 87 28.801 16.995 -26.068 663 HD23 LEU 87 2HD2 LEU 87 28.039 16.108 -24.748 664 H LYS 88 H LYS 88 26.810 11.711 -25.104 665 HA LYS 88 HA LYS 88 29.468 11.138 -25.892 666 HB2 LYS 88 2HB LYS 88 29.527 9.554 -24.091 667 HB3 LYS 88 3HB LYS 88 28.583 10.937 -23.555 668 HG2 LYS 88 2HG LYS 88 26.523 9.723 -23.887 669 HG3 LYS 88 3HG LYS 88 27.399 8.360 -24.585 670 HD2 LYS 88 2HD LYS 88 28.614 8.147 -22.385 671 HD3 LYS 88 3HD LYS 88 27.491 9.344 -21.732 672 HE2 LYS 88 2HE LYS 88 26.775 6.652 -22.902 673 HE3 LYS 88 3HE LYS 88 26.746 7.094 -21.195 674 HZ1 LYS 88 3HZ LYS 88 24.973 8.607 -21.594 675 HZ2 LYS 88 1HZ LYS 88 24.549 7.124 -22.299 676 HZ3 LYS 88 2HZ LYS 88 25.079 8.400 -23.272 677 H ALA 89 H ALA 89 26.424 9.450 -26.451 678 HA ALA 89 HA ALA 89 27.555 6.989 -27.327 679 HB1 ALA 89 3HB ALA 89 24.789 8.091 -27.831 680 HB2 ALA 89 1HB ALA 89 25.284 7.175 -26.408 681 HB3 ALA 89 2HB ALA 89 25.291 6.408 -27.995 682 H GLU 90 H GLU 90 26.400 9.861 -29.035 683 HA GLU 90 HA GLU 90 26.488 8.738 -31.644 684 HB2 GLU 90 2HB GLU 90 26.585 11.647 -30.812 685 HB3 GLU 90 3HB GLU 90 26.199 11.045 -32.421 686 HG2 GLU 90 2HG GLU 90 24.214 9.927 -31.536 687 HG3 GLU 90 3HG GLU 90 24.599 10.515 -29.921 688 H GLY 91 H GLY 91 29.013 9.668 -29.596 689 HA2 GLY 91 2HA GLY 91 30.847 10.107 -31.875 690 HA3 GLY 91 3HA GLY 91 31.157 10.604 -30.221 691 H LEU 92 H LEU 92 29.861 7.571 -29.984 692 HA LEU 92 HA LEU 92 32.299 6.474 -29.052 693 HB2 LEU 92 2HB LEU 92 29.658 5.145 -29.664 694 HB3 LEU 92 3HB LEU 92 31.005 4.327 -28.894 695 HG LEU 92 HG LEU 92 29.484 6.689 -27.765 696 HD11 LEU 92 1HD1 LEU 92 28.716 5.090 -26.078 697 HD12 LEU 92 2HD1 LEU 92 29.558 3.790 -26.923 698 HD13 LEU 92 3HD1 LEU 92 28.206 4.615 -27.697 699 HD21 LEU 92 3HD2 LEU 92 31.842 6.765 -27.122 700 HD22 LEU 92 1HD2 LEU 92 31.754 5.094 -26.564 701 HD23 LEU 92 2HD2 LEU 92 30.824 6.349 -25.745 702 H GLU 93 H GLU 93 30.309 5.255 -31.785 703 HA GLU 93 HA GLU 93 32.598 3.710 -32.692 704 HB2 GLU 93 2HB GLU 93 31.053 2.579 -34.174 705 HB3 GLU 93 3HB GLU 93 30.384 2.652 -32.555 706 HG2 GLU 93 2HG GLU 93 28.525 3.184 -33.747 707 HG3 GLU 93 3HG GLU 93 29.185 4.804 -33.521 708 H HIS 94 H HIS 94 32.930 3.591 -35.168 709 HA HIS 94 HA HIS 94 33.154 6.372 -36.154 710 HB2 HIS 94 2HB HIS 94 35.434 5.669 -37.048 711 HB3 HIS 94 3HB HIS 94 35.303 5.856 -35.303 712 HD1 HIS 94 HD1 HIS 94 36.146 3.959 -33.956 713 HD2 HIS 94 HD2 HIS 94 35.236 2.798 -37.840 714 HE1 HIS 94 HE1 HIS 94 36.878 1.569 -34.130 715 HE2 HIS 94 HE2 HIS 94 36.124 0.829 -36.410 716 H HIS 95 H HIS 95 31.559 3.723 -36.886 717 HA HIS 95 HA HIS 95 32.076 3.928 -39.796 718 HB2 HIS 95 2HB HIS 95 32.429 1.663 -38.563 719 HB3 HIS 95 3HB HIS 95 30.672 1.593 -38.494 720 HD1 HIS 95 HD1 HIS 95 29.470 1.726 -40.946 721 HD2 HIS 95 HD2 HIS 95 33.504 0.725 -40.877 722 HE1 HIS 95 HE1 HIS 95 29.944 0.673 -43.174 723 HE2 HIS 95 HE2 HIS 95 32.342 -0.061 -43.053 724 H HIS 96 H HIS 96 30.670 5.914 -39.105 725 HA HIS 96 HA HIS 96 28.118 5.823 -38.142 726 HB2 HIS 96 2HB HIS 96 29.177 7.733 -40.234 727 HB3 HIS 96 3HB HIS 96 27.743 7.998 -39.243 728 HD1 HIS 96 HD1 HIS 96 29.023 6.962 -36.539 729 HD2 HIS 96 HD2 HIS 96 30.738 9.728 -39.127 730 HE1 HIS 96 HE1 HIS 96 30.620 8.289 -35.140 731 HE2 HIS 96 HE2 HIS 96 31.760 9.841 -36.753 732 H HIS 97 H HIS 97 26.046 5.697 -38.943 733 HA HIS 97 HA HIS 97 25.910 3.796 -41.158 734 HB2 HIS 97 2HB HIS 97 23.868 4.484 -39.027 735 HB3 HIS 97 3HB HIS 97 23.742 3.163 -40.186 736 HD1 HIS 97 HD1 HIS 97 24.132 1.042 -38.941 737 HD2 HIS 97 HD2 HIS 97 26.703 4.058 -37.681 738 HE1 HIS 97 HE1 HIS 97 25.656 -0.026 -37.254 739 HE2 HIS 97 HE2 HIS 97 27.323 1.766 -36.670 740 H HIS 98 H HIS 98 24.639 4.004 -42.943 741 HA HIS 98 HA HIS 98 23.282 6.591 -43.377 742 HB2 HIS 98 2HB HIS 98 25.143 6.111 -44.924 743 HB3 HIS 98 3HB HIS 98 24.370 4.603 -45.397 744 HD1 HIS 98 HD1 HIS 98 24.412 8.218 -46.085 745 HD2 HIS 98 HD2 HIS 98 22.001 4.963 -47.000 746 HE1 HIS 98 HE1 HIS 98 22.964 8.970 -47.986 747 HE2 HIS 98 HE2 HIS 98 21.380 7.058 -48.382 748 H HIS 99 H HIS 99 21.106 6.515 -43.296 749 HA HIS 99 HA HIS 99 19.759 3.976 -44.015 750 HB2 HIS 99 2HB HIS 99 19.741 4.449 -41.566 751 HB3 HIS 99 3HB HIS 99 18.871 5.945 -41.885 752 HD1 HIS 99 HD1 HIS 99 18.412 2.277 -41.568 753 HD2 HIS 99 HD2 HIS 99 16.158 5.584 -42.691 754 HE1 HIS 99 HE1 HIS 99 16.029 1.499 -41.567 755 HE2 HIS 99 HE2 HIS 99 14.679 3.555 -42.078 Start of MODEL 7 1 H1 GLU 1 1H GLU 1 2.176 2.171 -1.296 2 H2 GLU 1 2H GLU 1 2.952 2.829 -2.650 3 H3 GLU 1 3H GLU 1 3.405 3.311 -1.096 4 HA GLU 1 HA GLU 1 5.025 1.796 -2.020 5 HB2 GLU 1 2HB GLU 1 3.388 0.636 0.247 6 HB3 GLU 1 3HB GLU 1 5.028 0.143 -0.158 7 HG2 GLU 1 2HG GLU 1 5.845 2.382 0.352 8 HG3 GLU 1 3HG GLU 1 4.202 2.910 0.713 9 H ASP 2 H ASP 2 2.106 1.206 -3.168 10 HA ASP 2 HA ASP 2 2.166 -1.663 -3.511 11 HB2 ASP 2 2HB ASP 2 0.453 0.367 -4.976 12 HB3 ASP 2 3HB ASP 2 0.129 -1.353 -4.767 13 HA PRO 3 HA PRO 3 4.368 -1.977 -7.442 14 HB2 PRO 3 2HB PRO 3 1.925 -3.301 -8.545 15 HB3 PRO 3 3HB PRO 3 3.604 -3.855 -8.550 16 HG2 PRO 3 2HG PRO 3 1.844 -4.942 -6.885 17 HG3 PRO 3 3HG PRO 3 3.501 -4.603 -6.345 18 HD2 PRO 3 2HD PRO 3 0.975 -3.083 -5.785 19 HD3 PRO 3 3HD PRO 3 2.337 -3.443 -4.702 20 H GLU 4 H GLU 4 1.326 -0.446 -7.120 21 HA GLU 4 HA GLU 4 1.053 0.605 -9.761 22 HB2 GLU 4 2HB GLU 4 -0.149 1.634 -7.179 23 HB3 GLU 4 3HB GLU 4 -0.711 1.986 -8.809 24 HG2 GLU 4 2HG GLU 4 -0.738 -0.714 -7.466 25 HG3 GLU 4 3HG GLU 4 -2.130 0.337 -7.715 26 H ASP 5 H ASP 5 2.648 1.724 -6.818 27 HA ASP 5 HA ASP 5 3.064 4.408 -7.459 28 HB2 ASP 5 2HB ASP 5 4.826 2.489 -5.926 29 HB3 ASP 5 3HB ASP 5 5.130 4.219 -6.019 30 HA PRO 6 HA PRO 6 5.553 4.229 -11.189 31 HB2 PRO 6 2HB PRO 6 6.768 6.733 -10.637 32 HB3 PRO 6 3HB PRO 6 5.368 6.434 -11.668 33 HG2 PRO 6 2HG PRO 6 5.478 7.357 -8.845 34 HG3 PRO 6 3HG PRO 6 4.286 7.725 -10.102 35 HD2 PRO 6 2HD PRO 6 3.738 6.041 -8.083 36 HD3 PRO 6 3HD PRO 6 3.094 5.767 -9.718 37 H PHE 7 H PHE 7 7.034 5.353 -8.120 38 HA PHE 7 HA PHE 7 9.683 4.656 -8.884 39 HB2 PHE 7 2HB PHE 7 9.310 6.285 -7.116 40 HB3 PHE 7 3HB PHE 7 8.513 5.069 -6.123 41 HD1 PHE 7 HD1 PHE 7 11.767 5.777 -7.804 42 HD2 PHE 7 HD2 PHE 7 9.762 3.870 -4.563 43 HE1 PHE 7 HE1 PHE 7 13.939 5.153 -6.828 44 HE2 PHE 7 HE2 PHE 7 11.930 3.247 -3.585 45 HZ PHE 7 HZ PHE 7 14.022 3.888 -4.715 46 H THR 8 H THR 8 7.161 2.854 -7.135 47 HA THR 8 HA THR 8 8.738 0.719 -6.228 48 HB THR 8 HB THR 8 5.835 0.608 -7.093 49 HG1 THR 8 HG1 THR 8 5.384 1.073 -4.949 50 HG21 THR 8 3HG2 THR 8 7.426 -1.244 -5.304 51 HG22 THR 8 1HG2 THR 8 6.777 -1.633 -6.898 52 HG23 THR 8 2HG2 THR 8 5.681 -1.319 -5.552 53 H ARG 9 H ARG 9 6.704 0.843 -9.160 54 HA ARG 9 HA ARG 9 7.613 -1.567 -10.299 55 HB2 ARG 9 2HB ARG 9 6.723 -0.549 -12.461 56 HB3 ARG 9 3HB ARG 9 5.588 -0.678 -11.123 57 HG2 ARG 9 2HG ARG 9 6.124 1.736 -10.589 58 HG3 ARG 9 3HG ARG 9 6.982 1.794 -12.128 59 HD2 ARG 9 2HD ARG 9 4.079 1.024 -11.821 60 HD3 ARG 9 3HD ARG 9 4.641 2.645 -12.230 61 HE ARG 9 HE ARG 9 5.644 0.625 -13.994 62 HH11 ARG 9 1HH1 ARG 9 3.013 2.748 -13.352 63 HH12 ARG 9 2HH1 ARG 9 2.463 2.728 -14.987 64 HH21 ARG 9 1HH2 ARG 9 4.922 0.607 -16.084 65 HH22 ARG 9 2HH2 ARG 9 3.553 1.565 -16.527 66 H TYR 10 H TYR 10 8.887 1.721 -10.533 67 HA TYR 10 HA TYR 10 10.886 1.280 -12.471 68 HB2 TYR 10 2HB TYR 10 10.280 3.521 -11.777 69 HB3 TYR 10 3HB TYR 10 10.756 3.189 -10.120 70 HD1 TYR 10 HD2 TYR 10 11.987 3.908 -13.519 71 HD2 TYR 10 HD1 TYR 10 13.076 3.295 -9.445 72 HE1 TYR 10 HE2 TYR 10 14.218 4.835 -13.977 73 HE2 TYR 10 HE1 TYR 10 15.303 4.227 -9.896 74 HH TYR 10 HH TYR 10 16.041 6.016 -12.550 75 H ALA 11 H ALA 11 10.944 0.927 -8.937 76 HA ALA 11 HA ALA 11 13.672 0.204 -8.715 77 HB1 ALA 11 3HB ALA 11 12.344 1.074 -6.837 78 HB2 ALA 11 1HB ALA 11 13.128 -0.455 -6.439 79 HB3 ALA 11 2HB ALA 11 11.405 -0.419 -6.819 80 H LEU 12 H LEU 12 10.702 -1.779 -8.788 81 HA LEU 12 HA LEU 12 11.895 -4.282 -8.492 82 HB2 LEU 12 2HB LEU 12 9.323 -3.331 -9.645 83 HB3 LEU 12 3HB LEU 12 9.808 -4.975 -10.010 84 HG LEU 12 HG LEU 12 8.294 -4.896 -8.088 85 HD11 LEU 12 1HD1 LEU 12 11.114 -5.687 -7.355 86 HD12 LEU 12 2HD1 LEU 12 9.918 -6.691 -8.176 87 HD13 LEU 12 3HD1 LEU 12 9.654 -6.194 -6.505 88 HD21 LEU 12 3HD2 LEU 12 8.981 -3.884 -5.972 89 HD22 LEU 12 1HD2 LEU 12 8.857 -2.669 -7.244 90 HD23 LEU 12 2HD2 LEU 12 10.442 -3.254 -6.735 91 H ALA 13 H ALA 13 11.599 -2.290 -11.384 92 HA ALA 13 HA ALA 13 12.418 -4.179 -13.297 93 HB1 ALA 13 3HB ALA 13 13.077 -2.269 -14.661 94 HB2 ALA 13 1HB ALA 13 13.020 -1.218 -13.244 95 HB3 ALA 13 2HB ALA 13 11.540 -1.952 -13.858 96 H GLN 14 H GLN 14 14.360 -1.932 -11.322 97 HA GLN 14 HA GLN 14 16.895 -2.837 -12.200 98 HB2 GLN 14 2HB GLN 14 16.093 -1.481 -9.613 99 HB3 GLN 14 3HB GLN 14 17.751 -1.693 -10.161 100 HG2 GLN 14 2HG GLN 14 17.305 -0.308 -12.114 101 HG3 GLN 14 3HG GLN 14 15.622 -0.131 -11.619 102 HE21 GLN 14 1HE2 GLN 14 17.739 1.886 -12.025 103 HE22 GLN 14 2HE2 GLN 14 17.819 2.761 -10.537 104 H GLU 15 H GLU 15 14.801 -3.847 -9.525 105 HA GLU 15 HA GLU 15 16.491 -5.718 -8.301 106 HB2 GLU 15 2HB GLU 15 13.484 -5.834 -8.650 107 HB3 GLU 15 3HB GLU 15 14.408 -6.808 -7.515 108 HG2 GLU 15 2HG GLU 15 14.306 -3.796 -7.465 109 HG3 GLU 15 3HG GLU 15 13.254 -4.838 -6.512 110 H HIS 16 H HIS 16 14.234 -6.105 -11.030 111 HA HIS 16 HA HIS 16 14.647 -8.833 -11.506 112 HB2 HIS 16 2HB HIS 16 13.778 -6.558 -13.269 113 HB3 HIS 16 3HB HIS 16 14.049 -8.155 -13.955 114 HD1 HIS 16 HD1 HIS 16 12.660 -10.118 -12.457 115 HD2 HIS 16 HD2 HIS 16 11.192 -6.229 -12.524 116 HE1 HIS 16 HE1 HIS 16 10.226 -10.307 -11.881 117 HE2 HIS 16 HE2 HIS 16 9.336 -7.961 -12.044 118 H LEU 17 H LEU 17 16.484 -6.016 -12.658 119 HA LEU 17 HA LEU 17 18.279 -7.306 -14.368 120 HB2 LEU 17 2HB LEU 17 18.771 -4.969 -12.510 121 HB3 LEU 17 3HB LEU 17 19.865 -5.464 -13.788 122 HG LEU 17 HG LEU 17 17.031 -4.483 -14.211 123 HD11 LEU 17 1HD1 LEU 17 18.076 -2.476 -15.133 124 HD12 LEU 17 2HD1 LEU 17 19.670 -3.102 -14.712 125 HD13 LEU 17 3HD1 LEU 17 18.516 -2.702 -13.439 126 HD21 LEU 17 3HD2 LEU 17 17.695 -6.057 -15.941 127 HD22 LEU 17 1HD2 LEU 17 19.208 -5.183 -16.190 128 HD23 LEU 17 2HD2 LEU 17 17.671 -4.419 -16.594 129 H LYS 18 H LYS 18 18.388 -6.925 -10.846 130 HA LYS 18 HA LYS 18 20.854 -8.187 -10.361 131 HB2 LYS 18 2HB LYS 18 18.369 -8.010 -8.643 132 HB3 LYS 18 3HB LYS 18 19.912 -8.625 -8.070 133 HG2 LYS 18 2HG LYS 18 20.953 -6.469 -8.463 134 HG3 LYS 18 3HG LYS 18 19.441 -5.840 -9.125 135 HD2 LYS 18 2HD LYS 18 18.350 -5.990 -7.012 136 HD3 LYS 18 3HD LYS 18 19.667 -6.941 -6.323 137 HE2 LYS 18 2HE LYS 18 19.850 -4.060 -7.211 138 HE3 LYS 18 3HE LYS 18 19.715 -4.620 -5.543 139 HZ1 LYS 18 3HZ LYS 18 21.962 -5.150 -7.413 140 HZ2 LYS 18 1HZ LYS 18 21.818 -5.834 -5.872 141 HZ3 LYS 18 2HZ LYS 18 21.998 -4.164 -6.040 142 H HIS 19 H HIS 19 17.695 -9.512 -11.052 143 HA HIS 19 HA HIS 19 18.606 -12.236 -10.411 144 HB2 HIS 19 2HB HIS 19 15.834 -11.143 -10.954 145 HB3 HIS 19 3HB HIS 19 16.190 -12.840 -10.644 146 HD1 HIS 19 HD1 HIS 19 16.725 -13.519 -8.222 147 HD2 HIS 19 HD2 HIS 19 15.946 -9.467 -8.682 148 HE1 HIS 19 HE1 HIS 19 16.457 -12.617 -5.898 149 HE2 HIS 19 HE2 HIS 19 15.780 -10.220 -6.214 150 H ASP 20 H ASP 20 19.306 -10.594 -12.870 151 HA ASP 20 HA ASP 20 19.872 -11.052 -15.016 152 HB2 ASP 20 2HB ASP 20 20.450 -13.279 -14.077 153 HB3 ASP 20 3HB ASP 20 18.828 -13.842 -14.462 154 H ASN 21 H ASN 21 16.819 -10.723 -14.044 155 HA ASN 21 HA ASN 21 15.394 -11.531 -16.429 156 HB2 ASN 21 2HB ASN 21 14.548 -9.872 -14.043 157 HB3 ASN 21 3HB ASN 21 13.464 -10.371 -15.337 158 HD21 ASN 21 1HD2 ASN 21 14.462 -12.997 -15.685 159 HD22 ASN 21 2HD2 ASN 21 14.052 -13.901 -14.273 160 H ALA 22 H ALA 22 17.346 -10.009 -17.412 161 HA ALA 22 HA ALA 22 17.072 -7.230 -17.456 162 HB1 ALA 22 3HB ALA 22 18.428 -7.298 -19.502 163 HB2 ALA 22 1HB ALA 22 18.155 -9.037 -19.620 164 HB3 ALA 22 2HB ALA 22 19.064 -8.379 -18.260 165 H SER 23 H SER 23 15.704 -9.656 -19.682 166 HA SER 23 HA SER 23 14.442 -7.846 -21.443 167 HB2 SER 23 2HB SER 23 13.084 -9.782 -22.160 168 HB3 SER 23 3HB SER 23 14.789 -10.212 -22.017 169 HG SER 23 HG SER 23 13.319 -11.748 -21.061 170 H ARG 24 H ARG 24 13.287 -9.418 -18.486 171 HA ARG 24 HA ARG 24 10.622 -8.432 -18.648 172 HB2 ARG 24 2HB ARG 24 12.205 -9.463 -16.280 173 HB3 ARG 24 3HB ARG 24 10.482 -9.108 -16.240 174 HG2 ARG 24 2HG ARG 24 11.822 -11.157 -18.005 175 HG3 ARG 24 3HG ARG 24 10.878 -11.492 -16.551 176 HD2 ARG 24 2HD ARG 24 8.876 -10.695 -17.566 177 HD3 ARG 24 3HD ARG 24 9.760 -10.027 -18.938 178 HE ARG 24 HE ARG 24 10.105 -12.849 -18.703 179 HH11 ARG 24 1HH1 ARG 24 7.900 -10.427 -19.775 180 HH12 ARG 24 2HH1 ARG 24 7.205 -11.437 -20.990 181 HH21 ARG 24 1HH2 ARG 24 9.177 -14.149 -20.266 182 HH22 ARG 24 2HH2 ARG 24 7.922 -13.511 -21.266 183 H ALA 25 H ALA 25 13.559 -7.200 -17.101 184 HA ALA 25 HA ALA 25 12.423 -4.951 -15.835 185 HB1 ALA 25 3HB ALA 25 14.711 -5.705 -15.392 186 HB2 ALA 25 1HB ALA 25 14.690 -4.009 -15.884 187 HB3 ALA 25 2HB ALA 25 15.186 -5.255 -17.030 188 H LEU 26 H LEU 26 13.786 -5.380 -19.084 189 HA LEU 26 HA LEU 26 13.424 -2.847 -20.152 190 HB2 LEU 26 2HB LEU 26 14.604 -4.692 -21.277 191 HB3 LEU 26 3HB LEU 26 13.082 -5.525 -21.519 192 HG LEU 26 HG LEU 26 12.328 -3.683 -23.003 193 HD11 LEU 26 1HD1 LEU 26 13.657 -1.873 -22.054 194 HD12 LEU 26 2HD1 LEU 26 13.943 -2.028 -23.787 195 HD13 LEU 26 3HD1 LEU 26 15.135 -2.638 -22.639 196 HD21 LEU 26 3HD2 LEU 26 13.372 -5.668 -23.962 197 HD22 LEU 26 1HD2 LEU 26 14.966 -4.935 -23.774 198 HD23 LEU 26 2HD2 LEU 26 13.794 -4.229 -24.889 199 H ALA 27 H ALA 27 11.114 -5.563 -20.152 200 HA ALA 27 HA ALA 27 8.995 -4.306 -21.461 201 HB1 ALA 27 3HB ALA 27 9.053 -6.700 -21.056 202 HB2 ALA 27 1HB ALA 27 7.561 -6.005 -20.422 203 HB3 ALA 27 2HB ALA 27 8.873 -6.433 -19.322 204 H LEU 28 H LEU 28 9.816 -4.293 -17.995 205 HA LEU 28 HA LEU 28 7.524 -2.895 -17.113 206 HB2 LEU 28 2HB LEU 28 10.303 -3.026 -15.940 207 HB3 LEU 28 3HB LEU 28 8.934 -2.285 -15.128 208 HG LEU 28 HG LEU 28 9.184 -5.207 -15.881 209 HD11 LEU 28 1HD1 LEU 28 9.287 -5.600 -13.482 210 HD12 LEU 28 2HD1 LEU 28 9.209 -3.864 -13.178 211 HD13 LEU 28 3HD1 LEU 28 10.608 -4.554 -14.002 212 HD21 LEU 28 3HD2 LEU 28 7.087 -5.519 -14.666 213 HD22 LEU 28 1HD2 LEU 28 6.864 -4.443 -16.045 214 HD23 LEU 28 2HD2 LEU 28 6.960 -3.777 -14.413 215 H PHE 29 H PHE 29 10.679 -1.720 -18.268 216 HA PHE 29 HA PHE 29 10.130 1.034 -17.811 217 HB2 PHE 29 2HB PHE 29 12.079 -0.350 -19.654 218 HB3 PHE 29 3HB PHE 29 11.972 1.401 -19.532 219 HD1 PHE 29 HD1 PHE 29 12.037 2.287 -17.005 220 HD2 PHE 29 HD2 PHE 29 13.692 -1.393 -18.372 221 HE1 PHE 29 HE1 PHE 29 13.582 2.273 -15.090 222 HE2 PHE 29 HE2 PHE 29 15.235 -1.413 -16.456 223 HZ PHE 29 HZ PHE 29 15.182 0.422 -14.816 224 H GLU 30 H GLU 30 9.802 -1.004 -20.729 225 HA GLU 30 HA GLU 30 8.747 0.990 -22.414 226 HB2 GLU 30 2HB GLU 30 8.200 -1.994 -22.455 227 HB3 GLU 30 3HB GLU 30 7.865 -0.878 -23.774 228 HG2 GLU 30 2HG GLU 30 10.271 -0.384 -23.953 229 HG3 GLU 30 3HG GLU 30 10.591 -1.528 -22.651 230 H GLU 31 H GLU 31 7.227 -1.076 -20.011 231 HA GLU 31 HA GLU 31 4.535 -0.318 -20.447 232 HB2 GLU 31 2HB GLU 31 5.156 -2.253 -19.086 233 HB3 GLU 31 3HB GLU 31 5.938 -1.203 -17.913 234 HG2 GLU 31 2HG GLU 31 3.740 -0.171 -17.428 235 HG3 GLU 31 3HG GLU 31 2.992 -1.314 -18.543 236 H LEU 32 H LEU 32 7.040 0.997 -18.282 237 HA LEU 32 HA LEU 32 5.580 3.027 -17.059 238 HB2 LEU 32 2HB LEU 32 8.483 2.708 -17.750 239 HB3 LEU 32 3HB LEU 32 7.917 4.199 -17.021 240 HG LEU 32 HG LEU 32 7.431 1.508 -15.735 241 HD11 LEU 32 1HD1 LEU 32 9.765 3.371 -15.271 242 HD12 LEU 32 2HD1 LEU 32 9.842 1.766 -16.000 243 HD13 LEU 32 3HD1 LEU 32 9.373 1.944 -14.310 244 HD21 LEU 32 3HD2 LEU 32 7.420 4.345 -14.692 245 HD22 LEU 32 1HD2 LEU 32 7.193 2.898 -13.709 246 HD23 LEU 32 2HD2 LEU 32 6.013 3.312 -14.950 247 H VAL 33 H VAL 33 7.138 2.997 -20.227 248 HA VAL 33 HA VAL 33 6.920 5.718 -20.873 249 HB VAL 33 HB VAL 33 6.826 3.315 -22.714 250 HG11 VAL 33 1HG1 VAL 33 7.521 4.875 -24.496 251 HG12 VAL 33 2HG1 VAL 33 7.330 6.224 -23.376 252 HG13 VAL 33 3HG1 VAL 33 5.926 5.273 -23.857 253 HG21 VAL 33 3HG2 VAL 33 9.210 3.749 -23.051 254 HG22 VAL 33 1HG2 VAL 33 8.862 3.455 -21.347 255 HG23 VAL 33 2HG2 VAL 33 9.135 5.101 -21.920 256 H GLU 34 H GLU 34 4.581 3.075 -21.382 257 HA GLU 34 HA GLU 34 2.723 4.808 -22.764 258 HB2 GLU 34 2HB GLU 34 1.257 2.787 -22.812 259 HB3 GLU 34 3HB GLU 34 2.851 2.539 -23.512 260 HG2 GLU 34 2HG GLU 34 3.566 1.499 -21.367 261 HG3 GLU 34 3HG GLU 34 1.902 1.625 -20.801 262 H THR 35 H THR 35 3.063 3.582 -19.488 263 HA THR 35 HA THR 35 0.394 4.470 -18.721 264 HB THR 35 HB THR 35 0.997 3.731 -16.445 265 HG1 THR 35 HG1 THR 35 3.190 4.077 -16.324 266 HG21 THR 35 3HG2 THR 35 1.667 1.709 -18.595 267 HG22 THR 35 1HG2 THR 35 0.048 2.111 -18.020 268 HG23 THR 35 2HG2 THR 35 1.201 1.334 -16.936 269 H ASP 36 H ASP 36 3.752 5.446 -18.057 270 HA ASP 36 HA ASP 36 2.730 8.046 -17.094 271 HB2 ASP 36 2HB ASP 36 5.210 6.570 -16.162 272 HB3 ASP 36 3HB ASP 36 4.735 8.184 -15.640 273 HA PRO 37 HA PRO 37 5.156 8.573 -21.061 274 HB2 PRO 37 2HB PRO 37 3.372 10.944 -21.253 275 HB3 PRO 37 3HB PRO 37 3.727 9.701 -22.458 276 HG2 PRO 37 2HG PRO 37 1.374 9.740 -21.205 277 HG3 PRO 37 3HG PRO 37 2.190 8.202 -21.558 278 HD2 PRO 37 2HD PRO 37 2.041 9.721 -18.970 279 HD3 PRO 37 3HD PRO 37 1.883 7.975 -19.259 280 H ASP 38 H ASP 38 4.566 10.754 -18.393 281 HA ASP 38 HA ASP 38 6.659 12.590 -19.297 282 HB2 ASP 38 2HB ASP 38 5.948 14.002 -17.414 283 HB3 ASP 38 3HB ASP 38 4.596 13.574 -18.458 284 H TYR 39 H TYR 39 6.703 9.729 -17.702 285 HA TYR 39 HA TYR 39 8.416 10.412 -15.489 286 HB2 TYR 39 2HB TYR 39 6.848 8.358 -15.675 287 HB3 TYR 39 3HB TYR 39 8.125 7.631 -16.641 288 HD1 TYR 39 HD1 TYR 39 7.132 8.712 -13.280 289 HD2 TYR 39 HD2 TYR 39 10.235 6.962 -15.601 290 HE1 TYR 39 HE1 TYR 39 8.266 8.000 -11.220 291 HE2 TYR 39 HE2 TYR 39 11.378 6.245 -13.552 292 HH TYR 39 HH TYR 39 11.472 6.883 -11.185 293 H VAL 40 H VAL 40 10.051 11.617 -16.527 294 HA VAL 40 HA VAL 40 11.537 10.855 -18.765 295 HB VAL 40 HB VAL 40 12.493 12.563 -16.454 296 HG11 VAL 40 1HG1 VAL 40 13.995 13.587 -18.090 297 HG12 VAL 40 2HG1 VAL 40 13.421 12.471 -19.329 298 HG13 VAL 40 3HG1 VAL 40 14.310 11.859 -17.934 299 HG21 VAL 40 3HG2 VAL 40 10.367 13.378 -17.344 300 HG22 VAL 40 1HG2 VAL 40 11.033 13.367 -18.977 301 HG23 VAL 40 2HG2 VAL 40 11.682 14.474 -17.767 302 H GLY 41 H GLY 41 12.064 10.105 -15.346 303 HA2 GLY 41 2HA GLY 41 14.613 9.026 -15.398 304 HA3 GLY 41 3HA GLY 41 13.324 8.454 -14.352 305 H THR 42 H THR 42 11.611 7.562 -16.524 306 HA THR 42 HA THR 42 12.633 4.939 -16.920 307 HB THR 42 HB THR 42 10.294 6.352 -18.227 308 HG1 THR 42 HG1 THR 42 10.658 4.792 -15.939 309 HG21 THR 42 3HG2 THR 42 9.562 4.109 -18.963 310 HG22 THR 42 1HG2 THR 42 11.095 3.441 -18.406 311 HG23 THR 42 2HG2 THR 42 11.069 4.603 -19.734 312 H TYR 43 H TYR 43 12.044 7.595 -19.256 313 HA TYR 43 HA TYR 43 13.014 6.317 -21.530 314 HB2 TYR 43 2HB TYR 43 13.090 9.264 -20.846 315 HB3 TYR 43 3HB TYR 43 13.375 8.605 -22.454 316 HD1 TYR 43 HD1 TYR 43 11.502 7.371 -23.615 317 HD2 TYR 43 HD2 TYR 43 10.879 9.627 -20.054 318 HE1 TYR 43 HE1 TYR 43 9.091 7.444 -24.085 319 HE2 TYR 43 HE2 TYR 43 8.468 9.700 -20.518 320 HH TYR 43 HH TYR 43 6.940 7.744 -22.701 321 H TYR 44 H TYR 44 14.795 8.311 -19.189 322 HA TYR 44 HA TYR 44 17.253 8.388 -20.524 323 HB2 TYR 44 2HB TYR 44 16.679 9.827 -18.601 324 HB3 TYR 44 3HB TYR 44 16.761 8.429 -17.535 325 HD1 TYR 44 HD2 TYR 44 18.834 10.410 -19.926 326 HD2 TYR 44 HD1 TYR 44 18.797 7.885 -16.494 327 HE1 TYR 44 HE2 TYR 44 21.238 10.806 -19.615 328 HE2 TYR 44 HE1 TYR 44 21.203 8.275 -16.178 329 HH TYR 44 HH TYR 44 22.914 10.714 -17.842 330 H HIS 45 H HIS 45 16.234 6.140 -17.923 331 HA HIS 45 HA HIS 45 18.636 4.574 -18.169 332 HB2 HIS 45 2HB HIS 45 16.073 4.072 -16.641 333 HB3 HIS 45 3HB HIS 45 17.495 3.034 -16.551 334 HD1 HIS 45 HD1 HIS 45 19.637 4.060 -15.393 335 HD2 HIS 45 HD2 HIS 45 16.219 6.410 -15.150 336 HE1 HIS 45 HE1 HIS 45 20.128 5.788 -13.644 337 HE2 HIS 45 HE2 HIS 45 17.994 7.092 -13.401 338 H LEU 46 H LEU 46 15.431 4.374 -19.541 339 HA LEU 46 HA LEU 46 15.493 1.699 -20.444 340 HB2 LEU 46 2HB LEU 46 13.421 2.954 -20.405 341 HB3 LEU 46 3HB LEU 46 14.060 4.123 -21.544 342 HG LEU 46 HG LEU 46 14.092 2.414 -23.308 343 HD11 LEU 46 1HD1 LEU 46 12.872 0.595 -21.232 344 HD12 LEU 46 2HD1 LEU 46 14.478 0.438 -21.940 345 HD13 LEU 46 3HD1 LEU 46 13.047 0.230 -22.948 346 HD21 LEU 46 3HD2 LEU 46 11.425 2.629 -21.907 347 HD22 LEU 46 1HD2 LEU 46 11.675 2.175 -23.593 348 HD23 LEU 46 2HD2 LEU 46 12.102 3.795 -23.045 349 H GLY 47 H GLY 47 16.432 4.749 -22.039 350 HA2 GLY 47 2HA GLY 47 17.368 3.679 -24.453 351 HA3 GLY 47 3HA GLY 47 17.960 5.156 -23.707 352 H LYS 48 H LYS 48 19.132 4.232 -21.402 353 HA LYS 48 HA LYS 48 21.626 3.235 -22.152 354 HB2 LYS 48 2HB LYS 48 20.291 2.958 -19.442 355 HB3 LYS 48 3HB LYS 48 22.012 2.792 -19.757 356 HG2 LYS 48 2HG LYS 48 20.376 5.304 -20.077 357 HG3 LYS 48 3HG LYS 48 21.509 4.951 -18.774 358 HD2 LYS 48 2HD LYS 48 23.327 4.804 -20.471 359 HD3 LYS 48 3HD LYS 48 22.165 5.311 -21.700 360 HE2 LYS 48 2HE LYS 48 23.382 7.249 -21.022 361 HE3 LYS 48 3HE LYS 48 21.761 7.378 -20.340 362 HZ1 LYS 48 3HZ LYS 48 22.640 6.604 -18.217 363 HZ2 LYS 48 1HZ LYS 48 23.464 7.993 -18.734 364 HZ3 LYS 48 2HZ LYS 48 24.189 6.472 -18.881 365 H LEU 49 H LEU 49 18.747 1.516 -21.027 366 HA LEU 49 HA LEU 49 19.962 -1.055 -20.886 367 HB2 LEU 49 2HB LEU 49 17.887 -0.443 -19.687 368 HB3 LEU 49 3HB LEU 49 17.044 -0.337 -21.220 369 HG LEU 49 HG LEU 49 17.286 -2.728 -21.585 370 HD11 LEU 49 1HD1 LEU 49 18.315 -4.197 -19.926 371 HD12 LEU 49 2HD1 LEU 49 18.800 -2.797 -18.969 372 HD13 LEU 49 3HD1 LEU 49 19.491 -3.052 -20.571 373 HD21 LEU 49 3HD2 LEU 49 15.936 -3.566 -19.717 374 HD22 LEU 49 1HD2 LEU 49 15.374 -1.988 -20.270 375 HD23 LEU 49 2HD2 LEU 49 16.323 -2.117 -18.787 376 H TYR 50 H TYR 50 18.136 0.641 -23.422 377 HA TYR 50 HA TYR 50 18.153 -1.415 -25.341 378 HB2 TYR 50 2HB TYR 50 18.021 1.582 -25.531 379 HB3 TYR 50 3HB TYR 50 18.190 0.621 -26.994 380 HD1 TYR 50 HD1 TYR 50 16.458 -1.645 -26.631 381 HD2 TYR 50 HD2 TYR 50 15.843 2.387 -25.399 382 HE1 TYR 50 HE1 TYR 50 14.025 -1.982 -26.753 383 HE2 TYR 50 HE2 TYR 50 13.412 2.052 -25.513 384 HH TYR 50 HH TYR 50 11.957 -0.996 -25.803 385 H GLU 51 H GLU 51 20.507 1.243 -24.836 386 HA GLU 51 HA GLU 51 22.424 0.465 -26.712 387 HB2 GLU 51 2HB GLU 51 22.877 1.706 -23.980 388 HB3 GLU 51 3HB GLU 51 24.078 1.637 -25.260 389 HG2 GLU 51 2HG GLU 51 22.635 3.044 -26.671 390 HG3 GLU 51 3HG GLU 51 21.459 3.131 -25.361 391 H ARG 52 H ARG 52 21.866 -0.669 -23.429 392 HA ARG 52 HA ARG 52 24.136 -2.310 -23.124 393 HB2 ARG 52 2HB ARG 52 22.590 -1.520 -21.313 394 HB3 ARG 52 3HB ARG 52 21.399 -2.679 -21.878 395 HG2 ARG 52 2HG ARG 52 22.790 -4.523 -21.241 396 HG3 ARG 52 3HG ARG 52 24.145 -3.445 -20.894 397 HD2 ARG 52 2HD ARG 52 21.510 -3.568 -19.409 398 HD3 ARG 52 3HD ARG 52 23.081 -4.108 -18.811 399 HE ARG 52 HE ARG 52 23.267 -1.407 -19.538 400 HH11 ARG 52 1HH1 ARG 52 21.837 -3.369 -17.087 401 HH12 ARG 52 2HH1 ARG 52 21.827 -2.086 -15.928 402 HH21 ARG 52 1HH2 ARG 52 23.212 0.216 -18.086 403 HH22 ARG 52 2HH2 ARG 52 22.579 -0.060 -16.500 404 H LEU 53 H LEU 53 21.179 -2.796 -24.867 405 HA LEU 53 HA LEU 53 21.832 -5.641 -25.331 406 HB2 LEU 53 2HB LEU 53 19.259 -4.135 -25.844 407 HB3 LEU 53 3HB LEU 53 19.510 -5.846 -26.141 408 HG LEU 53 HG LEU 53 19.598 -4.516 -23.421 409 HD11 LEU 53 1HD1 LEU 53 17.503 -5.685 -22.994 410 HD12 LEU 53 2HD1 LEU 53 17.492 -6.294 -24.649 411 HD13 LEU 53 3HD1 LEU 53 17.342 -4.562 -24.344 412 HD21 LEU 53 3HD2 LEU 53 21.075 -6.452 -23.529 413 HD22 LEU 53 1HD2 LEU 53 19.766 -7.436 -24.187 414 HD23 LEU 53 2HD2 LEU 53 19.658 -6.807 -22.543 415 H ASP 54 H ASP 54 22.865 -3.021 -26.670 416 HA ASP 54 HA ASP 54 23.550 -2.308 -28.707 417 HB2 ASP 54 2HB ASP 54 24.517 -4.577 -28.798 418 HB3 ASP 54 3HB ASP 54 23.037 -5.172 -29.539 419 H ARG 55 H ARG 55 20.745 -2.082 -28.052 420 HA ARG 55 HA ARG 55 19.442 -2.128 -30.678 421 HB2 ARG 55 2HB ARG 55 18.360 -1.416 -27.936 422 HB3 ARG 55 3HB ARG 55 17.408 -1.477 -29.412 423 HG2 ARG 55 2HG ARG 55 18.876 -3.848 -28.266 424 HG3 ARG 55 3HG ARG 55 17.186 -3.474 -27.924 425 HD2 ARG 55 2HD ARG 55 18.380 -4.063 -30.639 426 HD3 ARG 55 3HD ARG 55 17.346 -5.140 -29.695 427 HE ARG 55 HE ARG 55 16.422 -2.534 -30.721 428 HH11 ARG 55 1HH1 ARG 55 15.918 -5.913 -30.225 429 HH12 ARG 55 2HH1 ARG 55 14.293 -5.854 -30.809 430 HH21 ARG 55 1HH2 ARG 55 14.346 -2.477 -31.451 431 HH22 ARG 55 2HH2 ARG 55 13.417 -3.939 -31.510 432 H THR 56 H THR 56 21.271 -0.455 -31.159 433 HA THR 56 HA THR 56 21.437 2.058 -30.007 434 HB THR 56 HB THR 56 21.899 1.463 -32.940 435 HG1 THR 56 HG1 THR 56 23.599 0.364 -32.334 436 HG21 THR 56 3HG2 THR 56 23.596 3.252 -32.767 437 HG22 THR 56 1HG2 THR 56 23.087 3.561 -31.108 438 HG23 THR 56 2HG2 THR 56 21.969 3.848 -32.443 439 H ASP 57 H ASP 57 19.529 1.190 -32.916 440 HA ASP 57 HA ASP 57 18.445 3.699 -33.462 441 HB2 ASP 57 2HB ASP 57 17.124 1.000 -33.850 442 HB3 ASP 57 3HB ASP 57 16.693 2.490 -34.687 443 H ASP 58 H ASP 58 17.065 1.100 -31.461 444 HA ASP 58 HA ASP 58 14.707 2.376 -30.680 445 HB2 ASP 58 2HB ASP 58 16.369 0.376 -29.130 446 HB3 ASP 58 3HB ASP 58 14.675 0.755 -28.828 447 H ALA 59 H ALA 59 17.898 2.334 -29.091 448 HA ALA 59 HA ALA 59 17.268 3.816 -26.805 449 HB1 ALA 59 3HB ALA 59 19.883 3.760 -28.323 450 HB2 ALA 59 1HB ALA 59 19.381 2.615 -27.080 451 HB3 ALA 59 2HB ALA 59 19.667 4.303 -26.658 452 H ILE 60 H ILE 60 18.668 5.012 -29.868 453 HA ILE 60 HA ILE 60 18.747 7.727 -29.253 454 HB ILE 60 HB ILE 60 18.271 6.468 -31.967 455 HG12 ILE 60 2HG1 ILE 60 20.880 7.334 -30.689 456 HG13 ILE 60 3HG1 ILE 60 20.309 5.670 -30.724 457 HG21 ILE 60 1HG2 ILE 60 17.748 8.837 -32.021 458 HG22 ILE 60 2HG2 ILE 60 19.271 8.547 -32.864 459 HG23 ILE 60 3HG2 ILE 60 19.278 9.223 -31.234 460 HD11 ILE 60 3HD1 ILE 60 20.988 7.372 -33.112 461 HD12 ILE 60 1HD1 ILE 60 20.364 5.723 -33.177 462 HD13 ILE 60 2HD1 ILE 60 21.942 6.042 -32.457 463 H ASP 61 H ASP 61 16.145 5.908 -30.882 464 HA ASP 61 HA ASP 61 14.380 8.072 -31.243 465 HB2 ASP 61 2HB ASP 61 14.175 5.965 -32.468 466 HB3 ASP 61 3HB ASP 61 13.797 5.111 -30.976 467 H THR 62 H THR 62 14.684 5.732 -28.586 468 HA THR 62 HA THR 62 12.482 6.570 -27.048 469 HB THR 62 HB THR 62 15.099 5.335 -26.144 470 HG1 THR 62 HG1 THR 62 13.824 3.986 -27.476 471 HG21 THR 62 3HG2 THR 62 13.901 4.735 -24.071 472 HG22 THR 62 1HG2 THR 62 12.518 5.693 -24.604 473 HG23 THR 62 2HG2 THR 62 14.057 6.482 -24.256 474 H TYR 63 H TYR 63 15.890 7.638 -26.953 475 HA TYR 63 HA TYR 63 15.571 9.581 -24.935 476 HB2 TYR 63 2HB TYR 63 17.534 9.445 -27.234 477 HB3 TYR 63 3HB TYR 63 17.612 10.660 -25.964 478 HD1 TYR 63 HD2 TYR 63 17.349 9.440 -23.492 479 HD2 TYR 63 HD1 TYR 63 19.087 7.751 -26.992 480 HE1 TYR 63 HE2 TYR 63 18.680 7.922 -22.094 481 HE2 TYR 63 HE1 TYR 63 20.423 6.229 -25.600 482 HH TYR 63 HH TYR 63 21.188 5.893 -23.446 483 H ALA 64 H ALA 64 15.061 9.724 -28.431 484 HA ALA 64 HA ALA 64 14.804 12.482 -28.766 485 HB1 ALA 64 3HB ALA 64 13.326 10.308 -30.248 486 HB2 ALA 64 1HB ALA 64 14.946 10.895 -30.623 487 HB3 ALA 64 2HB ALA 64 13.558 11.968 -30.797 488 H GLN 65 H GLN 65 12.122 10.135 -28.300 489 HA GLN 65 HA GLN 65 10.116 12.092 -27.923 490 HB2 GLN 65 2HB GLN 65 9.942 9.493 -28.332 491 HB3 GLN 65 3HB GLN 65 9.957 9.401 -26.578 492 HG2 GLN 65 2HG GLN 65 7.981 11.060 -28.137 493 HG3 GLN 65 3HG GLN 65 7.689 9.390 -27.672 494 HE21 GLN 65 1HE2 GLN 65 8.955 9.648 -25.077 495 HE22 GLN 65 2HE2 GLN 65 7.887 10.586 -24.102 496 H GLY 66 H GLY 66 12.314 10.469 -25.680 497 HA2 GLY 66 2HA GLY 66 11.318 11.444 -23.248 498 HA3 GLY 66 3HA GLY 66 12.996 11.024 -23.559 499 H ILE 67 H ILE 67 13.552 12.953 -25.553 500 HA ILE 67 HA ILE 67 14.295 15.209 -24.098 501 HB ILE 67 HB ILE 67 13.926 14.781 -27.065 502 HG12 ILE 67 2HG1 ILE 67 16.409 15.072 -25.347 503 HG13 ILE 67 3HG1 ILE 67 15.759 13.553 -25.952 504 HG21 ILE 67 1HG2 ILE 67 13.574 17.149 -26.676 505 HG22 ILE 67 2HG2 ILE 67 15.138 16.887 -27.450 506 HG23 ILE 67 3HG2 ILE 67 15.055 17.234 -25.724 507 HD11 ILE 67 3HD1 ILE 67 17.657 14.299 -27.268 508 HD12 ILE 67 1HD1 ILE 67 16.825 15.809 -27.638 509 HD13 ILE 67 2HD1 ILE 67 16.186 14.278 -28.240 510 H GLU 68 H GLU 68 11.437 14.662 -26.126 511 HA GLU 68 HA GLU 68 10.366 17.260 -26.004 512 HB2 GLU 68 2HB GLU 68 8.830 14.656 -26.222 513 HB3 GLU 68 3HB GLU 68 8.262 16.251 -26.703 514 HG2 GLU 68 2HG GLU 68 10.133 16.325 -28.367 515 HG3 GLU 68 3HG GLU 68 10.476 14.644 -27.965 516 H VAL 69 H VAL 69 9.473 14.388 -24.039 517 HA VAL 69 HA VAL 69 7.786 15.845 -22.282 518 HB VAL 69 HB VAL 69 7.780 13.875 -20.847 519 HG11 VAL 69 1HG1 VAL 69 6.975 12.221 -22.480 520 HG12 VAL 69 2HG1 VAL 69 7.696 13.164 -23.783 521 HG13 VAL 69 3HG1 VAL 69 6.374 13.843 -22.833 522 HG21 VAL 69 3HG2 VAL 69 10.152 13.297 -20.927 523 HG22 VAL 69 1HG2 VAL 69 9.991 12.820 -22.619 524 HG23 VAL 69 2HG2 VAL 69 9.157 11.907 -21.362 525 H ALA 70 H ALA 70 11.224 15.416 -22.354 526 HA ALA 70 HA ALA 70 11.791 16.067 -19.649 527 HB1 ALA 70 3HB ALA 70 14.062 16.477 -20.410 528 HB2 ALA 70 1HB ALA 70 13.518 16.484 -22.088 529 HB3 ALA 70 2HB ALA 70 13.423 15.002 -21.137 530 H ARG 71 H ARG 71 11.847 18.088 -22.599 531 HA ARG 71 HA ARG 71 12.316 20.523 -21.171 532 HB2 ARG 71 2HB ARG 71 11.811 21.612 -23.372 533 HB3 ARG 71 3HB ARG 71 13.062 20.378 -23.444 534 HG2 ARG 71 2HG ARG 71 11.410 18.774 -24.316 535 HG3 ARG 71 3HG ARG 71 10.185 20.042 -24.287 536 HD2 ARG 71 2HD ARG 71 12.758 20.210 -25.856 537 HD3 ARG 71 3HD ARG 71 11.229 19.642 -26.527 538 HE ARG 71 HE ARG 71 10.683 22.109 -25.440 539 HH11 ARG 71 1HH1 ARG 71 12.879 20.918 -27.822 540 HH12 ARG 71 2HH1 ARG 71 12.793 22.363 -28.765 541 HH21 ARG 71 1HH2 ARG 71 10.577 23.944 -26.684 542 HH22 ARG 71 2HH2 ARG 71 11.509 24.041 -28.139 543 H GLU 72 H GLU 72 9.419 18.862 -22.269 544 HA GLU 72 HA GLU 72 7.671 21.096 -21.751 545 HB2 GLU 72 2HB GLU 72 7.091 18.190 -22.355 546 HB3 GLU 72 3HB GLU 72 5.851 19.425 -22.183 547 HG2 GLU 72 2HG GLU 72 8.064 19.506 -24.231 548 HG3 GLU 72 3HG GLU 72 6.441 18.892 -24.539 549 H GLU 73 H GLU 73 8.248 17.960 -20.129 550 HA GLU 73 HA GLU 73 6.552 18.845 -17.894 551 HB2 GLU 73 2HB GLU 73 7.603 16.086 -18.554 552 HB3 GLU 73 3HB GLU 73 6.521 16.475 -17.223 553 HG2 GLU 73 2HG GLU 73 5.917 16.753 -20.163 554 HG3 GLU 73 3HG GLU 73 5.282 15.526 -19.068 555 H GLY 74 H GLY 74 9.723 17.264 -18.405 556 HA2 GLY 74 2HA GLY 74 10.489 17.400 -15.655 557 HA3 GLY 74 3HA GLY 74 11.549 17.044 -17.009 558 H THR 75 H THR 75 13.107 18.480 -17.393 559 HA THR 75 HA THR 75 12.644 21.304 -17.408 560 HB THR 75 HB THR 75 12.947 21.098 -14.998 561 HG1 THR 75 HG1 THR 75 14.226 22.804 -14.930 562 HG21 THR 75 3HG2 THR 75 14.232 19.031 -14.892 563 HG22 THR 75 1HG2 THR 75 15.082 20.320 -14.040 564 HG23 THR 75 2HG2 THR 75 15.613 19.828 -15.649 565 H GLN 76 H GLN 76 14.992 22.442 -17.571 566 HA GLN 76 HA GLN 76 16.101 21.530 -19.988 567 HB2 GLN 76 2HB GLN 76 16.220 23.868 -19.315 568 HB3 GLN 76 3HB GLN 76 17.254 23.452 -17.956 569 HG2 GLN 76 2HG GLN 76 19.005 22.722 -19.510 570 HG3 GLN 76 3HG GLN 76 17.965 23.138 -20.872 571 HE21 GLN 76 1HE2 GLN 76 17.715 25.290 -21.436 572 HE22 GLN 76 2HE2 GLN 76 18.677 26.552 -20.748 573 H LYS 77 H LYS 77 16.941 20.785 -16.673 574 HA LYS 77 HA LYS 77 19.503 19.699 -17.045 575 HB2 LYS 77 2HB LYS 77 18.670 20.034 -14.817 576 HB3 LYS 77 3HB LYS 77 17.305 18.962 -15.102 577 HG2 LYS 77 2HG LYS 77 18.833 17.052 -15.272 578 HG3 LYS 77 3HG LYS 77 20.205 18.128 -14.986 579 HD2 LYS 77 2HD LYS 77 19.369 18.658 -12.772 580 HD3 LYS 77 3HD LYS 77 17.909 17.709 -13.062 581 HE2 LYS 77 2HE LYS 77 20.722 16.611 -13.000 582 HE3 LYS 77 3HE LYS 77 19.562 16.509 -11.677 583 HZ1 LYS 77 3HZ LYS 77 19.287 15.270 -14.365 584 HZ2 LYS 77 1HZ LYS 77 18.091 15.245 -13.168 585 HZ3 LYS 77 2HZ LYS 77 19.566 14.466 -12.907 586 H ASP 78 H ASP 78 16.327 18.057 -17.160 587 HA ASP 78 HA ASP 78 17.272 15.518 -17.922 588 HB2 ASP 78 2HB ASP 78 14.618 16.756 -18.692 589 HB3 ASP 78 3HB ASP 78 14.987 15.039 -18.556 590 H LEU 79 H LEU 79 16.133 18.263 -19.847 591 HA LEU 79 HA LEU 79 16.353 17.278 -22.416 592 HB2 LEU 79 2HB LEU 79 15.420 19.460 -21.874 593 HB3 LEU 79 3HB LEU 79 16.993 20.039 -21.361 594 HG LEU 79 HG LEU 79 17.798 19.801 -23.713 595 HD11 LEU 79 1HD1 LEU 79 16.235 18.100 -24.479 596 HD12 LEU 79 2HD1 LEU 79 16.149 19.532 -25.503 597 HD13 LEU 79 3HD1 LEU 79 14.893 19.229 -24.301 598 HD21 LEU 79 3HD2 LEU 79 15.379 21.575 -23.338 599 HD22 LEU 79 1HD2 LEU 79 16.632 21.777 -24.565 600 HD23 LEU 79 2HD2 LEU 79 17.032 21.960 -22.857 601 H SER 80 H SER 80 18.909 18.836 -20.485 602 HA SER 80 HA SER 80 20.953 18.718 -22.416 603 HB2 SER 80 2HB SER 80 21.120 20.155 -20.441 604 HB3 SER 80 3HB SER 80 21.173 18.741 -19.392 605 HG SER 80 HG SER 80 23.263 19.211 -19.648 606 H GLU 81 H GLU 81 20.255 16.487 -19.704 607 HA GLU 81 HA GLU 81 22.440 14.762 -20.195 608 HB2 GLU 81 2HB GLU 81 19.836 14.171 -18.768 609 HB3 GLU 81 3HB GLU 81 21.282 13.172 -18.696 610 HG2 GLU 81 2HG GLU 81 22.498 15.114 -17.713 611 HG3 GLU 81 3HG GLU 81 20.968 15.987 -17.662 612 H LEU 82 H LEU 82 19.053 14.590 -21.276 613 HA LEU 82 HA LEU 82 19.238 12.042 -22.495 614 HB2 LEU 82 2HB LEU 82 17.364 14.357 -22.973 615 HB3 LEU 82 3HB LEU 82 17.185 12.799 -23.764 616 HG LEU 82 HG LEU 82 17.110 13.233 -20.766 617 HD11 LEU 82 1HD1 LEU 82 14.864 12.723 -22.716 618 HD12 LEU 82 2HD1 LEU 82 15.168 14.226 -21.843 619 HD13 LEU 82 3HD1 LEU 82 14.713 12.770 -20.959 620 HD21 LEU 82 3HD2 LEU 82 16.317 10.918 -20.677 621 HD22 LEU 82 1HD2 LEU 82 17.927 11.013 -21.390 622 HD23 LEU 82 2HD2 LEU 82 16.518 10.774 -22.424 623 H GLN 83 H GLN 83 19.615 15.317 -23.872 624 HA GLN 83 HA GLN 83 20.091 14.547 -26.530 625 HB2 GLN 83 2HB GLN 83 21.131 16.924 -24.972 626 HB3 GLN 83 3HB GLN 83 21.333 16.731 -26.709 627 HG2 GLN 83 2HG GLN 83 18.908 16.717 -26.997 628 HG3 GLN 83 3HG GLN 83 18.693 16.895 -25.257 629 HE21 GLN 83 1HE2 GLN 83 20.958 18.759 -25.033 630 HE22 GLN 83 2HE2 GLN 83 20.394 20.256 -25.671 631 H ASP 84 H ASP 84 22.335 14.877 -23.807 632 HA ASP 84 HA ASP 84 24.706 14.213 -25.211 633 HB2 ASP 84 2HB ASP 84 24.833 15.296 -23.055 634 HB3 ASP 84 3HB ASP 84 23.961 13.974 -22.284 635 H ALA 85 H ALA 85 22.284 12.259 -23.536 636 HA ALA 85 HA ALA 85 23.678 9.813 -23.525 637 HB1 ALA 85 3HB ALA 85 21.517 8.786 -23.056 638 HB2 ALA 85 1HB ALA 85 20.696 10.276 -23.522 639 HB3 ALA 85 2HB ALA 85 21.743 10.252 -22.102 640 H LYS 86 H LYS 86 21.250 11.051 -25.870 641 HA LYS 86 HA LYS 86 21.487 8.775 -27.582 642 HB2 LYS 86 2HB LYS 86 20.225 10.072 -29.226 643 HB3 LYS 86 3HB LYS 86 19.489 10.185 -27.634 644 HG2 LYS 86 2HG LYS 86 20.511 12.405 -27.336 645 HG3 LYS 86 3HG LYS 86 21.195 12.292 -28.959 646 HD2 LYS 86 2HD LYS 86 18.245 12.217 -28.295 647 HD3 LYS 86 3HD LYS 86 19.117 13.626 -28.898 648 HE2 LYS 86 2HE LYS 86 18.836 10.997 -30.363 649 HE3 LYS 86 3HE LYS 86 17.862 12.435 -30.666 650 HZ1 LYS 86 3HZ LYS 86 20.790 12.152 -31.062 651 HZ2 LYS 86 1HZ LYS 86 19.951 13.615 -31.199 652 HZ3 LYS 86 2HZ LYS 86 19.614 12.346 -32.260 653 H LEU 87 H LEU 87 23.162 11.849 -27.375 654 HA LEU 87 HA LEU 87 24.473 11.901 -29.838 655 HB2 LEU 87 2HB LEU 87 24.476 13.769 -28.246 656 HB3 LEU 87 3HB LEU 87 25.471 12.838 -27.141 657 HG LEU 87 HG LEU 87 27.306 12.850 -28.817 658 HD11 LEU 87 1HD1 LEU 87 25.480 14.695 -30.360 659 HD12 LEU 87 2HD1 LEU 87 25.993 13.079 -30.849 660 HD13 LEU 87 3HD1 LEU 87 27.177 14.381 -30.729 661 HD21 LEU 87 3HD2 LEU 87 27.922 15.201 -28.518 662 HD22 LEU 87 1HD2 LEU 87 27.251 14.518 -27.037 663 HD23 LEU 87 2HD2 LEU 87 26.265 15.579 -28.044 664 H LYS 88 H LYS 88 25.624 10.488 -26.752 665 HA LYS 88 HA LYS 88 28.021 9.434 -27.815 666 HB2 LYS 88 2HB LYS 88 28.197 8.129 -25.777 667 HB3 LYS 88 3HB LYS 88 27.644 9.752 -25.392 668 HG2 LYS 88 2HG LYS 88 25.336 8.900 -25.223 669 HG3 LYS 88 3HG LYS 88 25.938 7.271 -25.541 670 HD2 LYS 88 2HD LYS 88 27.366 7.457 -23.516 671 HD3 LYS 88 3HD LYS 88 26.634 9.028 -23.181 672 HE2 LYS 88 2HE LYS 88 25.556 7.305 -21.856 673 HE3 LYS 88 3HE LYS 88 24.424 7.952 -23.043 674 HZ1 LYS 88 3HZ LYS 88 24.232 5.580 -22.994 675 HZ2 LYS 88 1HZ LYS 88 25.896 5.378 -23.219 676 HZ3 LYS 88 2HZ LYS 88 24.943 6.010 -24.463 677 H ALA 89 H ALA 89 24.764 8.061 -27.517 678 HA ALA 89 HA ALA 89 25.310 5.426 -28.297 679 HB1 ALA 89 3HB ALA 89 22.815 7.042 -28.852 680 HB2 ALA 89 1HB ALA 89 23.150 6.131 -27.378 681 HB3 ALA 89 2HB ALA 89 22.946 5.284 -28.911 682 H GLU 90 H GLU 90 24.310 8.191 -30.311 683 HA GLU 90 HA GLU 90 24.559 6.952 -32.818 684 HB2 GLU 90 2HB GLU 90 24.943 9.870 -32.083 685 HB3 GLU 90 3HB GLU 90 24.679 9.259 -33.712 686 HG2 GLU 90 2HG GLU 90 22.468 8.482 -33.099 687 HG3 GLU 90 3HG GLU 90 22.727 8.973 -31.428 688 H GLY 91 H GLY 91 26.927 8.400 -30.693 689 HA2 GLY 91 2HA GLY 91 29.050 8.360 -32.674 690 HA3 GLY 91 3HA GLY 91 29.184 8.881 -31.006 691 H LEU 92 H LEU 92 27.776 6.006 -30.553 692 HA LEU 92 HA LEU 92 30.073 4.688 -29.653 693 HB2 LEU 92 2HB LEU 92 27.373 3.567 -30.410 694 HB3 LEU 92 3HB LEU 92 28.632 2.609 -29.657 695 HG LEU 92 HG LEU 92 27.263 5.010 -28.427 696 HD11 LEU 92 1HD1 LEU 92 25.829 3.036 -28.533 697 HD12 LEU 92 2HD1 LEU 92 26.303 3.395 -26.873 698 HD13 LEU 92 3HD1 LEU 92 27.083 2.076 -27.748 699 HD21 LEU 92 3HD2 LEU 92 29.383 3.178 -27.297 700 HD22 LEU 92 1HD2 LEU 92 28.501 4.407 -26.388 701 HD23 LEU 92 2HD2 LEU 92 29.578 4.884 -27.699 702 H GLU 93 H GLU 93 28.155 3.853 -32.569 703 HA GLU 93 HA GLU 93 30.387 2.274 -33.571 704 HB2 GLU 93 2HB GLU 93 28.865 1.590 -35.367 705 HB3 GLU 93 3HB GLU 93 28.152 1.336 -33.781 706 HG2 GLU 93 2HG GLU 93 26.730 3.237 -34.031 707 HG3 GLU 93 3HG GLU 93 27.557 3.730 -35.506 708 H HIS 94 H HIS 94 28.645 5.253 -34.495 709 HA HIS 94 HA HIS 94 30.869 5.841 -36.315 710 HB2 HIS 94 2HB HIS 94 29.198 6.720 -38.014 711 HB3 HIS 94 3HB HIS 94 29.325 4.974 -37.862 712 HD1 HIS 94 HD1 HIS 94 27.221 7.230 -35.630 713 HD2 HIS 94 HD2 HIS 94 26.767 4.296 -38.538 714 HE1 HIS 94 HE1 HIS 94 24.780 6.680 -35.653 715 HE2 HIS 94 HE2 HIS 94 24.550 4.812 -37.314 716 H HIS 95 H HIS 95 31.477 7.326 -34.559 717 HA HIS 95 HA HIS 95 30.069 9.862 -34.538 718 HB2 HIS 95 2HB HIS 95 31.573 9.094 -32.658 719 HB3 HIS 95 3HB HIS 95 32.947 9.297 -33.738 720 HD1 HIS 95 HD1 HIS 95 33.469 11.793 -34.492 721 HD2 HIS 95 HD2 HIS 95 30.685 11.397 -31.431 722 HE1 HIS 95 HE1 HIS 95 33.286 14.069 -33.447 723 HE2 HIS 95 HE2 HIS 95 31.550 13.822 -31.647 724 H HIS 96 H HIS 96 29.943 9.596 -36.974 725 HA HIS 96 HA HIS 96 30.630 9.661 -39.121 726 HB2 HIS 96 2HB HIS 96 30.785 12.105 -38.336 727 HB3 HIS 96 3HB HIS 96 32.531 11.865 -38.330 728 HD1 HIS 96 HD1 HIS 96 33.548 12.708 -40.435 729 HD2 HIS 96 HD2 HIS 96 29.741 11.168 -41.077 730 HE1 HIS 96 HE1 HIS 96 33.115 12.980 -42.893 731 HE2 HIS 96 HE2 HIS 96 30.750 12.196 -43.222 732 H HIS 97 H HIS 97 33.827 10.750 -38.056 733 HA HIS 97 HA HIS 97 35.907 9.959 -38.608 734 HB2 HIS 97 2HB HIS 97 36.514 7.965 -37.379 735 HB3 HIS 97 3HB HIS 97 35.390 8.918 -36.423 736 HD1 HIS 97 HD1 HIS 97 35.214 5.923 -38.789 737 HD2 HIS 97 HD2 HIS 97 33.425 7.399 -35.339 738 HE1 HIS 97 HE1 HIS 97 33.606 4.144 -38.054 739 HE2 HIS 97 HE2 HIS 97 32.676 4.977 -35.871 740 H HIS 98 H HIS 98 34.113 9.553 -40.864 741 HA HIS 98 HA HIS 98 35.403 7.234 -42.108 742 HB2 HIS 98 2HB HIS 98 33.282 6.404 -41.155 743 HB3 HIS 98 3HB HIS 98 32.399 7.626 -42.063 744 HD1 HIS 98 HD1 HIS 98 34.943 4.939 -42.995 745 HD2 HIS 98 HD2 HIS 98 31.309 6.505 -44.270 746 HE1 HIS 98 HE1 HIS 98 34.319 3.620 -45.036 747 HE2 HIS 98 HE2 HIS 98 32.178 4.650 -45.852 748 H HIS 99 H HIS 99 35.915 7.537 -44.200 749 HA HIS 99 HA HIS 99 35.217 10.044 -45.497 750 HB2 HIS 99 2HB HIS 99 37.518 9.277 -45.664 751 HB3 HIS 99 3HB HIS 99 36.995 7.754 -46.374 752 HD1 HIS 99 HD1 HIS 99 36.474 7.727 -48.865 753 HD2 HIS 99 HD2 HIS 99 37.395 11.513 -47.430 754 HE1 HIS 99 HE1 HIS 99 36.750 9.162 -50.899 755 HE2 HIS 99 HE2 HIS 99 37.129 11.477 -50.002 Start of MODEL 8 1 H1 GLU 1 1H GLU 1 0.608 1.876 -2.592 2 H2 GLU 1 2H GLU 1 0.999 2.501 -4.116 3 H3 GLU 1 3H GLU 1 1.435 3.348 -2.720 4 HA GLU 1 HA GLU 1 3.341 2.242 -3.684 5 HB2 GLU 1 2HB GLU 1 2.418 1.059 -1.054 6 HB3 GLU 1 3HB GLU 1 4.072 1.007 -1.650 7 HG2 GLU 1 2HG GLU 1 4.159 3.460 -1.605 8 HG3 GLU 1 3HG GLU 1 2.507 3.501 -0.990 9 H ASP 2 H ASP 2 0.718 0.696 -4.442 10 HA ASP 2 HA ASP 2 1.566 -2.068 -4.457 11 HB2 ASP 2 2HB ASP 2 -0.694 -0.735 -5.985 12 HB3 ASP 2 3HB ASP 2 -0.538 -2.449 -5.604 13 HA PRO 3 HA PRO 3 3.662 -2.304 -8.436 14 HB2 PRO 3 2HB PRO 3 2.035 -4.021 -9.924 15 HB3 PRO 3 3HB PRO 3 3.310 -4.526 -8.811 16 HG2 PRO 3 2HG PRO 3 0.360 -4.317 -8.345 17 HG3 PRO 3 3HG PRO 3 1.495 -5.570 -7.807 18 HD2 PRO 3 2HD PRO 3 0.632 -3.709 -6.109 19 HD3 PRO 3 3HD PRO 3 2.327 -4.242 -6.070 20 H GLU 4 H GLU 4 0.327 -1.416 -8.316 21 HA GLU 4 HA GLU 4 0.010 -0.491 -10.990 22 HB2 GLU 4 2HB GLU 4 -1.487 0.264 -8.466 23 HB3 GLU 4 3HB GLU 4 -2.015 0.613 -10.108 24 HG2 GLU 4 2HG GLU 4 -2.305 -1.717 -10.585 25 HG3 GLU 4 3HG GLU 4 -1.556 -2.175 -9.058 26 H ASP 5 H ASP 5 1.388 0.914 -8.097 27 HA ASP 5 HA ASP 5 1.357 3.636 -8.907 28 HB2 ASP 5 2HB ASP 5 3.170 2.143 -6.998 29 HB3 ASP 5 3HB ASP 5 3.207 3.889 -7.215 30 HA PRO 6 HA PRO 6 4.305 3.634 -12.258 31 HB2 PRO 6 2HB PRO 6 5.260 6.231 -11.810 32 HB3 PRO 6 3HB PRO 6 3.861 5.799 -12.797 33 HG2 PRO 6 2HG PRO 6 3.961 6.729 -9.954 34 HG3 PRO 6 3HG PRO 6 2.801 7.144 -11.231 35 HD2 PRO 6 2HD PRO 6 2.153 5.410 -9.312 36 HD3 PRO 6 3HD PRO 6 1.639 5.128 -10.991 37 H PHE 7 H PHE 7 5.369 4.922 -9.098 38 HA PHE 7 HA PHE 7 8.144 4.553 -9.576 39 HB2 PHE 7 2HB PHE 7 7.311 6.087 -7.851 40 HB3 PHE 7 3HB PHE 7 6.652 4.730 -6.942 41 HD1 PHE 7 HD2 PHE 7 9.800 6.273 -8.146 42 HD2 PHE 7 HD1 PHE 7 8.018 3.490 -5.450 43 HE1 PHE 7 HE2 PHE 7 11.945 6.042 -6.963 44 HE2 PHE 7 HE1 PHE 7 10.162 3.258 -4.271 45 HZ PHE 7 HZ PHE 7 12.131 4.534 -5.025 46 H THR 8 H THR 8 5.662 2.472 -8.130 47 HA THR 8 HA THR 8 7.435 0.508 -7.105 48 HB THR 8 HB THR 8 4.565 0.024 -7.949 49 HG1 THR 8 HG1 THR 8 4.005 0.698 -5.874 50 HG21 THR 8 3HG2 THR 8 6.326 -1.311 -5.877 51 HG22 THR 8 1HG2 THR 8 5.821 -2.012 -7.417 52 HG23 THR 8 2HG2 THR 8 4.625 -1.677 -6.165 53 H ARG 9 H ARG 9 5.365 0.422 -10.040 54 HA ARG 9 HA ARG 9 6.362 -1.949 -11.124 55 HB2 ARG 9 2HB ARG 9 5.624 -0.956 -13.364 56 HB3 ARG 9 3HB ARG 9 4.401 -1.083 -12.107 57 HG2 ARG 9 2HG ARG 9 4.927 1.345 -11.562 58 HG3 ARG 9 3HG ARG 9 5.823 1.382 -13.079 59 HD2 ARG 9 2HD ARG 9 2.960 0.458 -12.979 60 HD3 ARG 9 3HD ARG 9 3.363 2.168 -13.064 61 HE ARG 9 HE ARG 9 4.147 1.871 -15.235 62 HH11 ARG 9 1HH1 ARG 9 3.076 -1.128 -13.906 63 HH12 ARG 9 2HH1 ARG 9 2.962 -1.892 -15.453 64 HH21 ARG 9 1HH2 ARG 9 3.924 0.891 -17.218 65 HH22 ARG 9 2HH2 ARG 9 3.429 -0.768 -17.289 66 H TYR 10 H TYR 10 7.709 1.293 -11.239 67 HA TYR 10 HA TYR 10 9.863 0.705 -13.013 68 HB2 TYR 10 2HB TYR 10 9.248 2.996 -12.688 69 HB3 TYR 10 3HB TYR 10 9.426 2.867 -10.943 70 HD1 TYR 10 HD1 TYR 10 11.484 2.474 -14.059 71 HD2 TYR 10 HD2 TYR 10 11.352 3.728 -9.989 72 HE1 TYR 10 HE1 TYR 10 13.793 3.295 -14.236 73 HE2 TYR 10 HE2 TYR 10 13.661 4.546 -10.162 74 HH TYR 10 HH TYR 10 15.601 4.308 -11.459 75 H ALA 11 H ALA 11 9.556 0.692 -9.466 76 HA ALA 11 HA ALA 11 12.223 0.099 -8.828 77 HB1 ALA 11 3HB ALA 11 10.600 0.865 -7.169 78 HB2 ALA 11 1HB ALA 11 11.369 -0.638 -6.658 79 HB3 ALA 11 2HB ALA 11 9.727 -0.662 -7.304 80 H LEU 12 H LEU 12 9.472 -2.087 -9.455 81 HA LEU 12 HA LEU 12 10.841 -4.517 -9.058 82 HB2 LEU 12 2HB LEU 12 8.402 -3.746 -10.624 83 HB3 LEU 12 3HB LEU 12 9.071 -5.352 -10.828 84 HG LEU 12 HG LEU 12 7.236 -5.359 -9.218 85 HD11 LEU 12 1HD1 LEU 12 9.911 -5.859 -7.909 86 HD12 LEU 12 2HD1 LEU 12 9.029 -6.987 -8.940 87 HD13 LEU 12 3HD1 LEU 12 8.358 -6.511 -7.380 88 HD21 LEU 12 3HD2 LEU 12 7.413 -4.240 -7.066 89 HD22 LEU 12 1HD2 LEU 12 7.443 -3.072 -8.385 90 HD23 LEU 12 2HD2 LEU 12 8.940 -3.501 -7.555 91 H ALA 13 H ALA 13 10.581 -2.447 -11.922 92 HA ALA 13 HA ALA 13 11.909 -4.078 -13.772 93 HB1 ALA 13 3HB ALA 13 12.405 -2.033 -14.996 94 HB2 ALA 13 1HB ALA 13 12.034 -1.064 -13.571 95 HB3 ALA 13 2HB ALA 13 10.757 -1.983 -14.369 96 H GLN 14 H GLN 14 13.260 -1.673 -11.497 97 HA GLN 14 HA GLN 14 15.976 -2.096 -12.117 98 HB2 GLN 14 2HB GLN 14 14.731 -1.218 -9.499 99 HB3 GLN 14 3HB GLN 14 16.446 -1.123 -9.872 100 HG2 GLN 14 2HG GLN 14 15.887 0.388 -11.773 101 HG3 GLN 14 3HG GLN 14 14.211 0.375 -11.229 102 HE21 GLN 14 1HE2 GLN 14 17.437 1.461 -10.535 103 HE22 GLN 14 2HE2 GLN 14 17.007 2.592 -9.305 104 H GLU 15 H GLU 15 13.906 -3.617 -9.646 105 HA GLU 15 HA GLU 15 15.799 -5.258 -8.436 106 HB2 GLU 15 2HB GLU 15 12.830 -5.507 -8.815 107 HB3 GLU 15 3HB GLU 15 13.732 -6.822 -8.073 108 HG2 GLU 15 2HG GLU 15 13.711 -3.976 -7.081 109 HG3 GLU 15 3HG GLU 15 12.719 -5.284 -6.437 110 H HIS 16 H HIS 16 13.750 -6.011 -11.279 111 HA HIS 16 HA HIS 16 14.644 -8.620 -11.670 112 HB2 HIS 16 2HB HIS 16 13.651 -6.554 -13.628 113 HB3 HIS 16 3HB HIS 16 14.125 -8.168 -14.153 114 HD1 HIS 16 HD1 HIS 16 12.805 -10.154 -12.683 115 HD2 HIS 16 HD2 HIS 16 11.039 -6.406 -12.954 116 HE1 HIS 16 HE1 HIS 16 10.381 -10.518 -12.161 117 HE2 HIS 16 HE2 HIS 16 9.365 -8.219 -12.183 118 H LEU 17 H LEU 17 16.106 -5.584 -12.888 119 HA LEU 17 HA LEU 17 18.306 -6.739 -14.206 120 HB2 LEU 17 2HB LEU 17 18.051 -4.105 -12.744 121 HB3 LEU 17 3HB LEU 17 19.469 -4.550 -13.675 122 HG LEU 17 HG LEU 17 16.675 -4.252 -14.799 123 HD11 LEU 17 1HD1 LEU 17 17.535 -2.222 -15.859 124 HD12 LEU 17 2HD1 LEU 17 19.076 -2.432 -15.025 125 HD13 LEU 17 3HD1 LEU 17 17.609 -2.107 -14.102 126 HD21 LEU 17 3HD2 LEU 17 18.000 -5.890 -16.035 127 HD22 LEU 17 1HD2 LEU 17 19.326 -4.733 -16.179 128 HD23 LEU 17 2HD2 LEU 17 17.788 -4.421 -16.985 129 H LYS 18 H LYS 18 17.998 -5.650 -10.828 130 HA LYS 18 HA LYS 18 20.595 -6.375 -9.982 131 HB2 LYS 18 2HB LYS 18 18.064 -6.192 -8.320 132 HB3 LYS 18 3HB LYS 18 19.712 -6.139 -7.705 133 HG2 LYS 18 2HG LYS 18 20.098 -4.038 -8.891 134 HG3 LYS 18 3HG LYS 18 18.466 -4.102 -9.553 135 HD2 LYS 18 2HD LYS 18 18.489 -2.586 -7.682 136 HD3 LYS 18 3HD LYS 18 17.571 -4.023 -7.234 137 HE2 LYS 18 2HE LYS 18 19.008 -3.355 -5.399 138 HE3 LYS 18 3HE LYS 18 19.558 -4.896 -6.057 139 HZ1 LYS 18 3HZ LYS 18 21.413 -3.437 -5.636 140 HZ2 LYS 18 1HZ LYS 18 20.755 -2.236 -6.624 141 HZ3 LYS 18 2HZ LYS 18 21.268 -3.702 -7.294 142 H HIS 19 H HIS 19 17.813 -8.288 -10.628 143 HA HIS 19 HA HIS 19 18.990 -10.615 -9.242 144 HB2 HIS 19 2HB HIS 19 16.149 -10.095 -10.148 145 HB3 HIS 19 3HB HIS 19 16.706 -11.633 -9.499 146 HD1 HIS 19 HD1 HIS 19 16.199 -11.897 -7.101 147 HD2 HIS 19 HD2 HIS 19 16.745 -7.905 -8.097 148 HE1 HIS 19 HE1 HIS 19 15.760 -10.608 -4.996 149 HE2 HIS 19 HE2 HIS 19 15.866 -8.194 -5.688 150 H ASP 20 H ASP 20 19.705 -9.477 -11.946 151 HA ASP 20 HA ASP 20 20.688 -10.400 -13.772 152 HB2 ASP 20 2HB ASP 20 21.174 -12.385 -12.453 153 HB3 ASP 20 3HB ASP 20 19.562 -13.020 -12.760 154 H ASN 21 H ASN 21 17.329 -10.564 -13.248 155 HA ASN 21 HA ASN 21 16.565 -11.573 -15.824 156 HB2 ASN 21 2HB ASN 21 15.047 -10.181 -13.617 157 HB3 ASN 21 3HB ASN 21 14.290 -10.601 -15.145 158 HD21 ASN 21 1HD2 ASN 21 15.614 -13.071 -15.548 159 HD22 ASN 21 2HD2 ASN 21 14.988 -14.177 -14.378 160 H ALA 22 H ALA 22 18.054 -10.089 -17.023 161 HA ALA 22 HA ALA 22 17.580 -7.295 -17.172 162 HB1 ALA 22 3HB ALA 22 18.998 -7.363 -19.175 163 HB2 ALA 22 1HB ALA 22 18.902 -9.125 -19.181 164 HB3 ALA 22 2HB ALA 22 19.699 -8.289 -17.848 165 H SER 23 H SER 23 16.530 -9.982 -19.248 166 HA SER 23 HA SER 23 15.118 -8.465 -21.152 167 HB2 SER 23 2HB SER 23 15.677 -10.789 -21.593 168 HB3 SER 23 3HB SER 23 14.674 -11.323 -20.244 169 HG SER 23 HG SER 23 13.877 -10.243 -22.735 170 H ARG 24 H ARG 24 13.914 -10.114 -18.214 171 HA ARG 24 HA ARG 24 11.234 -9.322 -18.401 172 HB2 ARG 24 2HB ARG 24 12.950 -9.878 -15.982 173 HB3 ARG 24 3HB ARG 24 11.223 -9.590 -15.879 174 HG2 ARG 24 2HG ARG 24 12.513 -11.822 -17.446 175 HG3 ARG 24 3HG ARG 24 11.784 -11.979 -15.846 176 HD2 ARG 24 2HD ARG 24 9.625 -11.238 -16.774 177 HD3 ARG 24 3HD ARG 24 10.359 -11.127 -18.371 178 HE ARG 24 HE ARG 24 10.714 -13.565 -18.223 179 HH11 ARG 24 1HH1 ARG 24 8.357 -12.116 -16.163 180 HH12 ARG 24 2HH1 ARG 24 7.390 -13.549 -16.079 181 HH21 ARG 24 1HH2 ARG 24 9.477 -15.390 -18.107 182 HH22 ARG 24 2HH2 ARG 24 8.027 -15.395 -17.161 183 H ALA 25 H ALA 25 13.995 -7.639 -16.933 184 HA ALA 25 HA ALA 25 12.581 -5.405 -15.946 185 HB1 ALA 25 3HB ALA 25 15.439 -5.562 -16.904 186 HB2 ALA 25 1HB ALA 25 14.871 -5.919 -15.273 187 HB3 ALA 25 2HB ALA 25 14.753 -4.278 -15.908 188 H LEU 26 H LEU 26 14.192 -5.975 -19.060 189 HA LEU 26 HA LEU 26 13.814 -3.515 -20.285 190 HB2 LEU 26 2HB LEU 26 15.175 -5.312 -21.238 191 HB3 LEU 26 3HB LEU 26 13.739 -6.276 -21.519 192 HG LEU 26 HG LEU 26 12.946 -4.616 -23.171 193 HD11 LEU 26 1HD1 LEU 26 14.002 -2.623 -22.254 194 HD12 LEU 26 2HD1 LEU 26 14.438 -2.846 -23.947 195 HD13 LEU 26 3HD1 LEU 26 15.593 -3.255 -22.678 196 HD21 LEU 26 3HD2 LEU 26 14.279 -6.546 -23.894 197 HD22 LEU 26 1HD2 LEU 26 15.753 -5.593 -23.703 198 HD23 LEU 26 2HD2 LEU 26 14.555 -5.136 -24.917 199 H ALA 27 H ALA 27 11.620 -6.325 -20.310 200 HA ALA 27 HA ALA 27 9.562 -5.238 -21.852 201 HB1 ALA 27 3HB ALA 27 9.702 -7.610 -21.227 202 HB2 ALA 27 1HB ALA 27 8.120 -6.928 -20.850 203 HB3 ALA 27 2HB ALA 27 9.297 -7.191 -19.563 204 H LEU 28 H LEU 28 10.213 -4.894 -18.387 205 HA LEU 28 HA LEU 28 7.786 -3.503 -17.800 206 HB2 LEU 28 2HB LEU 28 10.390 -3.707 -16.291 207 HB3 LEU 28 3HB LEU 28 8.983 -2.857 -15.679 208 HG LEU 28 HG LEU 28 9.146 -5.814 -16.293 209 HD11 LEU 28 1HD1 LEU 28 10.344 -5.180 -14.262 210 HD12 LEU 28 2HD1 LEU 28 8.888 -6.100 -13.885 211 HD13 LEU 28 3HD1 LEU 28 8.906 -4.350 -13.662 212 HD21 LEU 28 3HD2 LEU 28 6.895 -5.945 -15.339 213 HD22 LEU 28 1HD2 LEU 28 6.924 -4.941 -16.789 214 HD23 LEU 28 2HD2 LEU 28 6.850 -4.188 -15.195 215 H PHE 29 H PHE 29 11.152 -2.377 -18.344 216 HA PHE 29 HA PHE 29 10.652 0.364 -18.049 217 HB2 PHE 29 2HB PHE 29 12.712 -1.115 -19.685 218 HB3 PHE 29 3HB PHE 29 12.658 0.643 -19.622 219 HD1 PHE 29 HD2 PHE 29 12.654 1.680 -17.209 220 HD2 PHE 29 HD1 PHE 29 14.020 -2.247 -18.143 221 HE1 PHE 29 HE2 PHE 29 14.003 1.660 -15.152 222 HE2 PHE 29 HE1 PHE 29 15.370 -2.268 -16.089 223 HZ PHE 29 HZ PHE 29 15.363 -0.313 -14.589 224 H GLU 30 H GLU 30 10.586 -1.601 -21.042 225 HA GLU 30 HA GLU 30 9.770 0.391 -22.819 226 HB2 GLU 30 2HB GLU 30 9.046 -2.550 -22.800 227 HB3 GLU 30 3HB GLU 30 8.783 -1.470 -24.159 228 HG2 GLU 30 2HG GLU 30 11.229 -1.077 -24.264 229 HG3 GLU 30 3HG GLU 30 11.438 -2.274 -22.984 230 H GLU 31 H GLU 31 7.797 -1.763 -20.792 231 HA GLU 31 HA GLU 31 5.269 -0.839 -21.567 232 HB2 GLU 31 2HB GLU 31 5.724 -2.888 -20.202 233 HB3 GLU 31 3HB GLU 31 6.054 -1.849 -18.821 234 HG2 GLU 31 2HG GLU 31 3.744 -0.970 -18.977 235 HG3 GLU 31 3HG GLU 31 3.431 -2.102 -20.292 236 H LEU 32 H LEU 32 7.473 0.337 -19.047 237 HA LEU 32 HA LEU 32 5.820 2.258 -17.866 238 HB2 LEU 32 2HB LEU 32 8.815 2.314 -18.289 239 HB3 LEU 32 3HB LEU 32 7.944 3.429 -17.253 240 HG LEU 32 HG LEU 32 8.065 0.435 -16.842 241 HD11 LEU 32 1HD1 LEU 32 9.535 2.653 -15.414 242 HD12 LEU 32 2HD1 LEU 32 10.247 1.447 -16.486 243 HD13 LEU 32 3HD1 LEU 32 9.537 0.950 -14.951 244 HD21 LEU 32 3HD2 LEU 32 7.071 0.910 -14.667 245 HD22 LEU 32 1HD2 LEU 32 6.016 1.452 -15.972 246 HD23 LEU 32 2HD2 LEU 32 6.977 2.625 -15.069 247 H VAL 33 H VAL 33 7.735 2.418 -20.832 248 HA VAL 33 HA VAL 33 7.472 5.226 -21.226 249 HB VAL 33 HB VAL 33 8.023 3.078 -23.291 250 HG11 VAL 33 1HG1 VAL 33 9.056 4.914 -24.588 251 HG12 VAL 33 2HG1 VAL 33 8.482 6.065 -23.380 252 HG13 VAL 33 3HG1 VAL 33 7.325 5.151 -24.346 253 HG21 VAL 33 3HG2 VAL 33 10.392 3.659 -22.947 254 HG22 VAL 33 1HG2 VAL 33 9.650 3.021 -21.478 255 HG23 VAL 33 2HG2 VAL 33 9.927 4.755 -21.646 256 H GLU 34 H GLU 34 5.542 2.455 -22.325 257 HA GLU 34 HA GLU 34 3.807 4.130 -23.926 258 HB2 GLU 34 2HB GLU 34 2.524 2.051 -24.335 259 HB3 GLU 34 3HB GLU 34 4.231 1.900 -24.722 260 HG2 GLU 34 2HG GLU 34 4.586 0.757 -22.560 261 HG3 GLU 34 3HG GLU 34 2.850 0.841 -22.261 262 H THR 35 H THR 35 3.714 2.748 -20.689 263 HA THR 35 HA THR 35 0.914 3.450 -20.305 264 HB THR 35 HB THR 35 1.168 2.604 -18.016 265 HG1 THR 35 HG1 THR 35 3.216 3.051 -17.391 266 HG21 THR 35 3HG2 THR 35 2.391 0.781 -20.093 267 HG22 THR 35 1HG2 THR 35 0.668 0.994 -19.775 268 HG23 THR 35 2HG2 THR 35 1.708 0.262 -18.552 269 H ASP 36 H ASP 36 4.070 4.582 -19.095 270 HA ASP 36 HA ASP 36 2.754 7.067 -18.169 271 HB2 ASP 36 2HB ASP 36 5.014 5.579 -16.792 272 HB3 ASP 36 3HB ASP 36 4.393 7.153 -16.300 273 HA PRO 37 HA PRO 37 6.137 7.874 -21.337 274 HB2 PRO 37 2HB PRO 37 4.224 9.950 -22.240 275 HB3 PRO 37 3HB PRO 37 5.052 8.699 -23.174 276 HG2 PRO 37 2HG PRO 37 2.433 8.534 -22.657 277 HG3 PRO 37 3HG PRO 37 3.459 7.087 -22.674 278 HD2 PRO 37 2HD PRO 37 2.432 8.654 -20.324 279 HD3 PRO 37 3HD PRO 37 2.518 6.893 -20.550 280 H ASP 38 H ASP 38 4.461 9.877 -19.057 281 HA ASP 38 HA ASP 38 6.107 12.214 -19.449 282 HB2 ASP 38 2HB ASP 38 4.220 11.575 -17.170 283 HB3 ASP 38 3HB ASP 38 4.860 13.162 -17.592 284 H TYR 39 H TYR 39 6.508 9.291 -17.747 285 HA TYR 39 HA TYR 39 8.114 10.358 -15.587 286 HB2 TYR 39 2HB TYR 39 6.693 8.254 -15.452 287 HB3 TYR 39 3HB TYR 39 7.891 7.467 -16.471 288 HD1 TYR 39 HD1 TYR 39 8.278 9.778 -13.547 289 HD2 TYR 39 HD2 TYR 39 8.985 5.894 -15.141 290 HE1 TYR 39 HE1 TYR 39 9.538 9.178 -11.523 291 HE2 TYR 39 HE2 TYR 39 10.247 5.291 -13.124 292 HH TYR 39 HH TYR 39 11.445 6.331 -11.321 293 H VAL 40 H VAL 40 9.774 11.494 -16.612 294 HA VAL 40 HA VAL 40 11.177 10.695 -18.889 295 HB VAL 40 HB VAL 40 12.152 12.540 -16.696 296 HG11 VAL 40 1HG1 VAL 40 13.554 13.547 -18.444 297 HG12 VAL 40 2HG1 VAL 40 13.026 12.304 -19.579 298 HG13 VAL 40 3HG1 VAL 40 13.972 11.857 -18.159 299 HG21 VAL 40 3HG2 VAL 40 9.993 13.260 -17.552 300 HG22 VAL 40 1HG2 VAL 40 10.583 13.141 -19.211 301 HG23 VAL 40 2HG2 VAL 40 11.260 14.348 -18.116 302 H GLY 41 H GLY 41 11.929 10.061 -15.485 303 HA2 GLY 41 2HA GLY 41 14.548 9.231 -15.606 304 HA3 GLY 41 3HA GLY 41 13.358 8.527 -14.526 305 H THR 42 H THR 42 11.694 7.334 -16.526 306 HA THR 42 HA THR 42 12.857 4.818 -16.783 307 HB THR 42 HB THR 42 10.658 6.008 -18.498 308 HG1 THR 42 HG1 THR 42 9.293 5.224 -16.961 309 HG21 THR 42 3HG2 THR 42 9.996 3.688 -18.936 310 HG22 THR 42 1HG2 THR 42 11.386 3.109 -18.018 311 HG23 THR 42 2HG2 THR 42 11.630 3.994 -19.525 312 H TYR 43 H TYR 43 12.794 7.487 -19.121 313 HA TYR 43 HA TYR 43 13.671 6.046 -21.370 314 HB2 TYR 43 2HB TYR 43 13.974 8.986 -20.711 315 HB3 TYR 43 3HB TYR 43 14.296 8.282 -22.294 316 HD1 TYR 43 HD1 TYR 43 11.679 9.166 -19.871 317 HD2 TYR 43 HD2 TYR 43 12.481 7.553 -23.728 318 HE1 TYR 43 HE1 TYR 43 9.307 9.415 -20.460 319 HE2 TYR 43 HE2 TYR 43 10.113 7.801 -24.327 320 HH TYR 43 HH TYR 43 7.882 9.538 -22.315 321 H TYR 44 H TYR 44 15.563 7.900 -18.981 322 HA TYR 44 HA TYR 44 18.058 7.530 -20.270 323 HB2 TYR 44 2HB TYR 44 17.642 9.273 -18.554 324 HB3 TYR 44 3HB TYR 44 17.541 8.017 -17.323 325 HD1 TYR 44 HD1 TYR 44 19.813 9.699 -19.711 326 HD2 TYR 44 HD2 TYR 44 19.536 7.055 -16.383 327 HE1 TYR 44 HE1 TYR 44 22.250 9.827 -19.412 328 HE2 TYR 44 HE2 TYR 44 21.972 7.181 -16.078 329 HH TYR 44 HH TYR 44 23.924 9.485 -17.700 330 H HIS 45 H HIS 45 16.547 5.768 -17.551 331 HA HIS 45 HA HIS 45 18.679 3.931 -17.203 332 HB2 HIS 45 2HB HIS 45 15.762 3.721 -16.410 333 HB3 HIS 45 3HB HIS 45 17.010 2.592 -15.896 334 HD1 HIS 45 HD1 HIS 45 18.798 3.496 -14.198 335 HD2 HIS 45 HD2 HIS 45 15.701 6.138 -15.018 336 HE1 HIS 45 HE1 HIS 45 18.915 5.248 -12.409 337 HE2 HIS 45 HE2 HIS 45 16.928 6.731 -12.828 338 H LEU 46 H LEU 46 15.696 3.760 -19.117 339 HA LEU 46 HA LEU 46 16.031 1.097 -20.030 340 HB2 LEU 46 2HB LEU 46 13.882 2.169 -20.192 341 HB3 LEU 46 3HB LEU 46 14.535 3.450 -21.194 342 HG LEU 46 HG LEU 46 14.881 1.876 -23.034 343 HD11 LEU 46 1HD1 LEU 46 14.068 -0.417 -22.917 344 HD12 LEU 46 2HD1 LEU 46 13.655 -0.200 -21.217 345 HD13 LEU 46 3HD1 LEU 46 15.342 -0.141 -21.730 346 HD21 LEU 46 3HD2 LEU 46 12.094 1.756 -21.877 347 HD22 LEU 46 1HD2 LEU 46 12.525 1.403 -23.551 348 HD23 LEU 46 2HD2 LEU 46 12.748 3.030 -22.908 349 H GLY 47 H GLY 47 17.074 4.226 -21.345 350 HA2 GLY 47 2HA GLY 47 18.193 3.359 -23.753 351 HA3 GLY 47 3HA GLY 47 18.746 4.747 -22.830 352 H LYS 48 H LYS 48 19.792 3.680 -20.573 353 HA LYS 48 HA LYS 48 22.308 2.707 -21.314 354 HB2 LYS 48 2HB LYS 48 20.984 2.276 -18.621 355 HB3 LYS 48 3HB LYS 48 22.710 2.290 -18.957 356 HG2 LYS 48 2HG LYS 48 20.849 4.653 -19.187 357 HG3 LYS 48 3HG LYS 48 21.974 4.347 -17.867 358 HD2 LYS 48 2HD LYS 48 22.843 4.675 -20.739 359 HD3 LYS 48 3HD LYS 48 22.723 6.022 -19.611 360 HE2 LYS 48 2HE LYS 48 24.994 5.363 -19.610 361 HE3 LYS 48 3HE LYS 48 24.311 4.747 -18.107 362 HZ1 LYS 48 3HZ LYS 48 24.648 3.124 -20.566 363 HZ2 LYS 48 1HZ LYS 48 24.211 2.565 -19.032 364 HZ3 LYS 48 2HZ LYS 48 25.770 3.163 -19.304 365 H LEU 49 H LEU 49 19.355 0.990 -20.470 366 HA LEU 49 HA LEU 49 20.497 -1.611 -20.313 367 HB2 LEU 49 2HB LEU 49 18.311 -1.027 -19.337 368 HB3 LEU 49 3HB LEU 49 17.656 -0.795 -20.946 369 HG LEU 49 HG LEU 49 17.887 -3.165 -21.442 370 HD11 LEU 49 1HD1 LEU 49 18.668 -4.762 -19.757 371 HD12 LEU 49 2HD1 LEU 49 19.068 -3.429 -18.671 372 HD13 LEU 49 3HD1 LEU 49 19.939 -3.620 -20.193 373 HD21 LEU 49 3HD2 LEU 49 16.286 -4.071 -19.836 374 HD22 LEU 49 1HD2 LEU 49 15.850 -2.427 -20.301 375 HD23 LEU 49 2HD2 LEU 49 16.609 -2.728 -18.737 376 H TYR 50 H TYR 50 18.899 0.165 -22.984 377 HA TYR 50 HA TYR 50 19.199 -1.818 -24.955 378 HB2 TYR 50 2HB TYR 50 19.083 1.188 -25.121 379 HB3 TYR 50 3HB TYR 50 19.331 0.212 -26.561 380 HD1 TYR 50 HD2 TYR 50 17.548 -1.934 -26.526 381 HD2 TYR 50 HD1 TYR 50 16.907 1.953 -24.906 382 HE1 TYR 50 HE2 TYR 50 15.121 -2.233 -26.777 383 HE2 TYR 50 HE1 TYR 50 14.480 1.660 -25.159 384 HH TYR 50 HH TYR 50 13.040 -1.358 -25.874 385 H GLU 51 H GLU 51 21.438 0.780 -23.967 386 HA GLU 51 HA GLU 51 23.569 0.217 -25.683 387 HB2 GLU 51 2HB GLU 51 23.731 1.092 -22.784 388 HB3 GLU 51 3HB GLU 51 25.025 1.225 -23.964 389 HG2 GLU 51 2HG GLU 51 23.660 2.806 -25.263 390 HG3 GLU 51 3HG GLU 51 22.383 2.683 -24.053 391 H ARG 52 H ARG 52 22.748 -1.227 -22.548 392 HA ARG 52 HA ARG 52 24.957 -2.966 -22.319 393 HB2 ARG 52 2HB ARG 52 23.335 -2.339 -20.497 394 HB3 ARG 52 3HB ARG 52 22.161 -3.415 -21.240 395 HG2 ARG 52 2HG ARG 52 23.639 -5.323 -20.840 396 HG3 ARG 52 3HG ARG 52 24.841 -4.246 -20.124 397 HD2 ARG 52 2HD ARG 52 22.058 -4.802 -19.084 398 HD3 ARG 52 3HD ARG 52 23.579 -5.338 -18.369 399 HE ARG 52 HE ARG 52 23.740 -2.593 -18.480 400 HH11 ARG 52 1HH1 ARG 52 21.697 -4.907 -16.942 401 HH12 ARG 52 2HH1 ARG 52 21.284 -3.835 -15.654 402 HH21 ARG 52 1HH2 ARG 52 23.174 -1.228 -16.832 403 HH22 ARG 52 2HH2 ARG 52 22.082 -1.770 -15.605 404 H LEU 53 H LEU 53 22.039 -3.164 -24.195 405 HA LEU 53 HA LEU 53 22.554 -5.944 -24.988 406 HB2 LEU 53 2HB LEU 53 20.336 -4.074 -25.855 407 HB3 LEU 53 3HB LEU 53 20.427 -5.794 -26.176 408 HG LEU 53 HG LEU 53 20.110 -4.553 -23.433 409 HD11 LEU 53 1HD1 LEU 53 17.830 -5.415 -23.522 410 HD12 LEU 53 2HD1 LEU 53 18.100 -5.991 -25.167 411 HD13 LEU 53 3HD1 LEU 53 18.119 -4.260 -24.823 412 HD21 LEU 53 3HD2 LEU 53 19.692 -6.837 -22.677 413 HD22 LEU 53 1HD2 LEU 53 21.306 -6.688 -23.371 414 HD23 LEU 53 2HD2 LEU 53 20.013 -7.445 -24.301 415 H ASP 54 H ASP 54 24.039 -3.278 -25.772 416 HA ASP 54 HA ASP 54 25.249 -2.495 -27.520 417 HB2 ASP 54 2HB ASP 54 25.705 -4.963 -27.839 418 HB3 ASP 54 3HB ASP 54 24.420 -4.981 -29.040 419 H ARG 55 H ARG 55 22.025 -2.585 -27.500 420 HA ARG 55 HA ARG 55 21.404 -1.914 -30.235 421 HB2 ARG 55 2HB ARG 55 19.720 -1.604 -27.734 422 HB3 ARG 55 3HB ARG 55 19.137 -1.494 -29.390 423 HG2 ARG 55 2HG ARG 55 20.316 -3.962 -28.110 424 HG3 ARG 55 3HG ARG 55 18.597 -3.646 -28.348 425 HD2 ARG 55 2HD ARG 55 20.691 -3.988 -30.502 426 HD3 ARG 55 3HD ARG 55 19.405 -5.123 -30.088 427 HE ARG 55 HE ARG 55 18.713 -2.427 -31.021 428 HH11 ARG 55 1HH1 ARG 55 18.673 -5.834 -31.517 429 HH12 ARG 55 2HH1 ARG 55 17.534 -5.742 -32.812 430 HH21 ARG 55 1HH2 ARG 55 17.256 -2.309 -32.648 431 HH22 ARG 55 2HH2 ARG 55 16.730 -3.753 -33.450 432 H THR 56 H THR 56 23.036 -0.168 -30.375 433 HA THR 56 HA THR 56 23.000 2.145 -28.782 434 HB THR 56 HB THR 56 23.961 1.853 -31.642 435 HG1 THR 56 HG1 THR 56 25.195 0.512 -30.425 436 HG21 THR 56 3HG2 THR 56 24.602 3.980 -29.589 437 HG22 THR 56 1HG2 THR 56 23.662 4.210 -31.063 438 HG23 THR 56 2HG2 THR 56 25.377 3.809 -31.164 439 H ASP 57 H ASP 57 21.618 1.692 -32.062 440 HA ASP 57 HA ASP 57 20.528 4.248 -32.332 441 HB2 ASP 57 2HB ASP 57 19.723 1.611 -33.573 442 HB3 ASP 57 3HB ASP 57 18.998 3.148 -34.035 443 H ASP 58 H ASP 58 18.922 1.263 -31.217 444 HA ASP 58 HA ASP 58 16.372 2.264 -30.763 445 HB2 ASP 58 2HB ASP 58 17.811 0.167 -29.114 446 HB3 ASP 58 3HB ASP 58 16.066 0.365 -29.259 447 H ALA 59 H ALA 59 19.182 2.268 -28.586 448 HA ALA 59 HA ALA 59 17.961 3.446 -26.342 449 HB1 ALA 59 3HB ALA 59 20.181 2.404 -26.267 450 HB2 ALA 59 1HB ALA 59 20.224 4.050 -25.638 451 HB3 ALA 59 2HB ALA 59 20.832 3.709 -27.259 452 H ILE 60 H ILE 60 19.591 4.901 -29.128 453 HA ILE 60 HA ILE 60 19.488 7.587 -28.300 454 HB ILE 60 HB ILE 60 19.525 6.475 -31.116 455 HG12 ILE 60 2HG1 ILE 60 21.836 7.415 -29.392 456 HG13 ILE 60 3HG1 ILE 60 21.369 5.727 -29.565 457 HG21 ILE 60 1HG2 ILE 60 18.877 8.831 -31.089 458 HG22 ILE 60 2HG2 ILE 60 20.497 8.638 -31.754 459 HG23 ILE 60 3HG2 ILE 60 20.286 9.222 -30.103 460 HD11 ILE 60 3HD1 ILE 60 21.838 5.826 -31.943 461 HD12 ILE 60 1HD1 ILE 60 23.246 6.306 -30.996 462 HD13 ILE 60 2HD1 ILE 60 22.264 7.532 -31.796 463 H ASP 61 H ASP 61 17.185 5.730 -30.328 464 HA ASP 61 HA ASP 61 15.334 7.820 -30.733 465 HB2 ASP 61 2HB ASP 61 14.991 4.816 -30.664 466 HB3 ASP 61 3HB ASP 61 13.666 5.912 -31.047 467 H THR 62 H THR 62 15.700 5.515 -28.084 468 HA THR 62 HA THR 62 13.393 6.214 -26.612 469 HB THR 62 HB THR 62 16.062 5.244 -25.539 470 HG1 THR 62 HG1 THR 62 15.407 3.587 -26.755 471 HG21 THR 62 3HG2 THR 62 14.763 4.425 -23.618 472 HG22 THR 62 1HG2 THR 62 13.304 5.154 -24.293 473 HG23 THR 62 2HG2 THR 62 14.642 6.178 -23.771 474 H TYR 63 H TYR 63 16.750 7.422 -26.406 475 HA TYR 63 HA TYR 63 16.315 9.375 -24.436 476 HB2 TYR 63 2HB TYR 63 18.316 9.427 -26.713 477 HB3 TYR 63 3HB TYR 63 18.368 10.467 -25.297 478 HD1 TYR 63 HD2 TYR 63 17.886 8.657 -23.072 479 HD2 TYR 63 HD1 TYR 63 20.146 8.015 -26.624 480 HE1 TYR 63 HE2 TYR 63 19.249 6.978 -21.903 481 HE2 TYR 63 HE1 TYR 63 21.513 6.339 -25.462 482 HH TYR 63 HH TYR 63 22.141 5.665 -23.284 483 H ALA 64 H ALA 64 15.987 9.539 -27.969 484 HA ALA 64 HA ALA 64 15.670 12.291 -28.291 485 HB1 ALA 64 3HB ALA 64 14.361 10.103 -29.906 486 HB2 ALA 64 1HB ALA 64 15.993 10.726 -30.149 487 HB3 ALA 64 2HB ALA 64 14.601 11.775 -30.416 488 H GLN 65 H GLN 65 13.049 9.858 -28.060 489 HA GLN 65 HA GLN 65 10.928 11.712 -27.943 490 HB2 GLN 65 2HB GLN 65 10.988 9.077 -28.269 491 HB3 GLN 65 3HB GLN 65 10.734 9.069 -26.532 492 HG2 GLN 65 2HG GLN 65 8.945 10.545 -28.454 493 HG3 GLN 65 3HG GLN 65 8.668 8.878 -27.963 494 HE21 GLN 65 1HE2 GLN 65 9.509 9.280 -25.236 495 HE22 GLN 65 2HE2 GLN 65 8.261 10.179 -24.465 496 H GLY 66 H GLY 66 12.942 10.242 -25.441 497 HA2 GLY 66 2HA GLY 66 11.656 11.300 -23.167 498 HA3 GLY 66 3HA GLY 66 13.349 10.842 -23.264 499 H ILE 67 H ILE 67 14.123 12.694 -25.298 500 HA ILE 67 HA ILE 67 14.783 14.968 -23.821 501 HB ILE 67 HB ILE 67 14.745 14.442 -26.789 502 HG12 ILE 67 2HG1 ILE 67 17.004 14.841 -24.804 503 HG13 ILE 67 3HG1 ILE 67 16.453 13.296 -25.443 504 HG21 ILE 67 1HG2 ILE 67 15.738 16.978 -25.486 505 HG22 ILE 67 2HG2 ILE 67 14.317 16.840 -26.519 506 HG23 ILE 67 3HG2 ILE 67 15.923 16.544 -27.184 507 HD11 ILE 67 3HD1 ILE 67 18.497 14.079 -26.523 508 HD12 ILE 67 1HD1 ILE 67 17.654 15.527 -27.069 509 HD13 ILE 67 2HD1 ILE 67 17.164 13.940 -27.669 510 H GLU 68 H GLU 68 12.191 14.498 -26.212 511 HA GLU 68 HA GLU 68 11.182 17.103 -26.252 512 HB2 GLU 68 2HB GLU 68 9.580 14.550 -26.546 513 HB3 GLU 68 3HB GLU 68 9.132 16.144 -27.143 514 HG2 GLU 68 2HG GLU 68 11.158 16.089 -28.604 515 HG3 GLU 68 3HG GLU 68 11.416 14.421 -28.094 516 H VAL 69 H VAL 69 10.093 14.354 -24.223 517 HA VAL 69 HA VAL 69 8.238 15.963 -22.746 518 HB VAL 69 HB VAL 69 7.963 14.039 -21.255 519 HG11 VAL 69 1HG1 VAL 69 6.749 14.057 -23.368 520 HG12 VAL 69 2HG1 VAL 69 7.188 12.408 -22.918 521 HG13 VAL 69 3HG1 VAL 69 8.101 13.254 -24.169 522 HG21 VAL 69 3HG2 VAL 69 10.284 13.301 -21.102 523 HG22 VAL 69 1HG2 VAL 69 10.253 12.800 -22.793 524 HG23 VAL 69 2HG2 VAL 69 9.246 11.967 -21.607 525 H ALA 70 H ALA 70 11.620 15.159 -22.301 526 HA ALA 70 HA ALA 70 11.849 15.829 -19.555 527 HB1 ALA 70 3HB ALA 70 14.259 15.946 -19.969 528 HB2 ALA 70 1HB ALA 70 13.966 15.930 -21.709 529 HB3 ALA 70 2HB ALA 70 13.552 14.521 -20.733 530 H ARG 71 H ARG 71 12.555 17.741 -22.487 531 HA ARG 71 HA ARG 71 13.352 20.082 -21.117 532 HB2 ARG 71 2HB ARG 71 13.067 21.204 -23.320 533 HB3 ARG 71 3HB ARG 71 14.021 19.727 -23.401 534 HG2 ARG 71 2HG ARG 71 12.033 18.512 -24.211 535 HG3 ARG 71 3HG ARG 71 11.119 20.018 -24.180 536 HD2 ARG 71 2HD ARG 71 13.592 19.515 -25.840 537 HD3 ARG 71 3HD ARG 71 11.934 19.431 -26.437 538 HE ARG 71 HE ARG 71 12.402 21.944 -25.241 539 HH11 ARG 71 1HH1 ARG 71 13.073 20.125 -28.098 540 HH12 ARG 71 2HH1 ARG 71 13.367 21.539 -29.050 541 HH21 ARG 71 1HH2 ARG 71 12.769 23.733 -26.471 542 HH22 ARG 71 2HH2 ARG 71 13.189 23.559 -28.141 543 H GLU 72 H GLU 72 10.184 19.112 -22.430 544 HA GLU 72 HA GLU 72 9.035 21.701 -21.759 545 HB2 GLU 72 2HB GLU 72 7.712 19.254 -22.952 546 HB3 GLU 72 3HB GLU 72 6.996 20.855 -22.825 547 HG2 GLU 72 2HG GLU 72 9.353 20.040 -24.516 548 HG3 GLU 72 3HG GLU 72 7.752 20.521 -25.071 549 H GLU 73 H GLU 73 8.404 18.296 -20.788 550 HA GLU 73 HA GLU 73 6.525 19.132 -18.760 551 HB2 GLU 73 2HB GLU 73 7.767 16.408 -19.210 552 HB3 GLU 73 3HB GLU 73 6.396 16.755 -18.166 553 HG2 GLU 73 2HG GLU 73 6.491 17.005 -21.167 554 HG3 GLU 73 3HG GLU 73 5.635 15.781 -20.232 555 H GLY 74 H GLY 74 9.680 17.441 -18.609 556 HA2 GLY 74 2HA GLY 74 9.902 17.821 -15.765 557 HA3 GLY 74 3HA GLY 74 11.129 17.153 -16.827 558 H THR 75 H THR 75 12.882 18.371 -17.256 559 HA THR 75 HA THR 75 12.843 21.234 -17.322 560 HB THR 75 HB THR 75 12.837 21.000 -14.892 561 HG1 THR 75 HG1 THR 75 14.517 22.375 -14.551 562 HG21 THR 75 3HG2 THR 75 13.803 18.757 -14.712 563 HG22 THR 75 1HG2 THR 75 14.694 19.907 -13.714 564 HG23 THR 75 2HG2 THR 75 15.364 19.375 -15.257 565 H GLN 76 H GLN 76 15.275 22.048 -17.251 566 HA GLN 76 HA GLN 76 16.547 20.902 -19.497 567 HB2 GLN 76 2HB GLN 76 16.768 23.268 -18.948 568 HB3 GLN 76 3HB GLN 76 17.601 22.872 -17.451 569 HG2 GLN 76 2HG GLN 76 19.467 21.941 -18.723 570 HG3 GLN 76 3HG GLN 76 18.626 22.304 -20.231 571 HE21 GLN 76 1HE2 GLN 76 18.510 24.440 -20.931 572 HE22 GLN 76 2HE2 GLN 76 19.487 25.685 -20.244 573 H LYS 77 H LYS 77 16.888 20.253 -16.082 574 HA LYS 77 HA LYS 77 19.460 19.110 -16.056 575 HB2 LYS 77 2HB LYS 77 18.305 19.643 -13.985 576 HB3 LYS 77 3HB LYS 77 17.046 18.469 -14.344 577 HG2 LYS 77 2HG LYS 77 18.663 16.653 -14.161 578 HG3 LYS 77 3HG LYS 77 19.948 17.818 -13.836 579 HD2 LYS 77 2HD LYS 77 18.846 18.501 -11.778 580 HD3 LYS 77 3HD LYS 77 17.492 17.421 -12.120 581 HE2 LYS 77 2HE LYS 77 19.017 16.444 -10.475 582 HE3 LYS 77 3HE LYS 77 18.979 15.487 -11.953 583 HZ1 LYS 77 3HZ LYS 77 21.075 17.484 -11.305 584 HZ2 LYS 77 1HZ LYS 77 21.065 16.424 -12.621 585 HZ3 LYS 77 2HZ LYS 77 21.233 15.825 -11.048 586 H ASP 78 H ASP 78 16.280 17.488 -16.417 587 HA ASP 78 HA ASP 78 17.313 14.919 -16.992 588 HB2 ASP 78 2HB ASP 78 14.683 16.119 -17.907 589 HB3 ASP 78 3HB ASP 78 15.064 14.403 -17.792 590 H LEU 79 H LEU 79 16.346 17.622 -19.047 591 HA LEU 79 HA LEU 79 16.658 16.567 -21.580 592 HB2 LEU 79 2HB LEU 79 15.771 18.789 -21.145 593 HB3 LEU 79 3HB LEU 79 17.327 19.329 -20.547 594 HG LEU 79 HG LEU 79 18.270 19.012 -22.835 595 HD11 LEU 79 1HD1 LEU 79 15.391 18.516 -23.592 596 HD12 LEU 79 2HD1 LEU 79 16.708 17.343 -23.658 597 HD13 LEU 79 3HD1 LEU 79 16.730 18.752 -24.717 598 HD21 LEU 79 3HD2 LEU 79 15.896 20.873 -22.647 599 HD22 LEU 79 1HD2 LEU 79 17.224 21.002 -23.802 600 HD23 LEU 79 2HD2 LEU 79 17.531 21.213 -22.079 601 H SER 80 H SER 80 19.174 18.155 -19.606 602 HA SER 80 HA SER 80 21.273 17.951 -21.448 603 HB2 SER 80 2HB SER 80 21.328 19.415 -19.456 604 HB3 SER 80 3HB SER 80 21.461 17.993 -18.425 605 HG SER 80 HG SER 80 23.398 19.323 -19.722 606 H GLU 81 H GLU 81 20.334 15.744 -18.814 607 HA GLU 81 HA GLU 81 22.420 13.893 -19.074 608 HB2 GLU 81 2HB GLU 81 19.574 13.592 -18.114 609 HB3 GLU 81 3HB GLU 81 20.723 12.262 -18.067 610 HG2 GLU 81 2HG GLU 81 21.251 14.910 -16.739 611 HG3 GLU 81 3HG GLU 81 20.419 13.580 -15.933 612 H LEU 82 H LEU 82 19.211 13.893 -20.646 613 HA LEU 82 HA LEU 82 19.601 11.450 -22.041 614 HB2 LEU 82 2HB LEU 82 17.732 13.748 -22.630 615 HB3 LEU 82 3HB LEU 82 17.644 12.167 -23.388 616 HG LEU 82 HG LEU 82 17.302 12.681 -20.423 617 HD11 LEU 82 1HD1 LEU 82 15.236 12.078 -22.538 618 HD12 LEU 82 2HD1 LEU 82 15.451 13.615 -21.699 619 HD13 LEU 82 3HD1 LEU 82 14.939 12.186 -20.802 620 HD21 LEU 82 3HD2 LEU 82 16.535 10.355 -20.339 621 HD22 LEU 82 1HD2 LEU 82 18.205 10.463 -20.896 622 HD23 LEU 82 2HD2 LEU 82 16.907 10.166 -22.053 623 H GLN 83 H GLN 83 20.161 14.831 -22.989 624 HA GLN 83 HA GLN 83 20.949 14.356 -25.659 625 HB2 GLN 83 2HB GLN 83 21.788 16.514 -23.709 626 HB3 GLN 83 3HB GLN 83 22.199 16.531 -25.419 627 HG2 GLN 83 2HG GLN 83 19.872 16.683 -26.028 628 HG3 GLN 83 3HG GLN 83 19.382 16.498 -24.346 629 HE21 GLN 83 1HE2 GLN 83 21.475 18.229 -23.318 630 HE22 GLN 83 2HE2 GLN 83 20.998 19.839 -23.717 631 H ASP 84 H ASP 84 22.890 14.615 -22.687 632 HA ASP 84 HA ASP 84 25.393 13.973 -23.778 633 HB2 ASP 84 2HB ASP 84 25.192 14.966 -21.594 634 HB3 ASP 84 3HB ASP 84 24.234 13.613 -21.007 635 H ALA 85 H ALA 85 22.754 11.934 -22.674 636 HA ALA 85 HA ALA 85 24.150 9.466 -22.650 637 HB1 ALA 85 3HB ALA 85 21.969 8.427 -22.472 638 HB2 ALA 85 1HB ALA 85 21.185 9.932 -22.957 639 HB3 ALA 85 2HB ALA 85 22.055 9.845 -21.426 640 H LYS 86 H LYS 86 22.098 10.997 -25.166 641 HA LYS 86 HA LYS 86 22.475 8.827 -27.008 642 HB2 LYS 86 2HB LYS 86 21.420 10.219 -28.678 643 HB3 LYS 86 3HB LYS 86 20.535 10.367 -27.169 644 HG2 LYS 86 2HG LYS 86 21.638 12.524 -26.746 645 HG3 LYS 86 3HG LYS 86 22.502 12.369 -28.276 646 HD2 LYS 86 2HD LYS 86 19.497 12.501 -27.956 647 HD3 LYS 86 3HD LYS 86 20.532 13.832 -28.477 648 HE2 LYS 86 2HE LYS 86 20.248 11.197 -29.931 649 HE3 LYS 86 3HE LYS 86 19.391 12.676 -30.357 650 HZ1 LYS 86 3HZ LYS 86 21.317 12.415 -31.743 651 HZ2 LYS 86 1HZ LYS 86 22.335 12.274 -30.403 652 HZ3 LYS 86 2HZ LYS 86 21.554 13.742 -30.724 653 H LEU 87 H LEU 87 24.188 11.807 -26.319 654 HA LEU 87 HA LEU 87 25.874 11.946 -28.552 655 HB2 LEU 87 2HB LEU 87 25.684 13.728 -26.883 656 HB3 LEU 87 3HB LEU 87 26.429 12.696 -25.678 657 HG LEU 87 HG LEU 87 28.527 12.694 -27.017 658 HD11 LEU 87 1HD1 LEU 87 28.803 14.336 -28.813 659 HD12 LEU 87 2HD1 LEU 87 27.086 14.733 -28.714 660 HD13 LEU 87 3HD1 LEU 87 27.592 13.120 -29.219 661 HD21 LEU 87 3HD2 LEU 87 29.210 14.947 -26.431 662 HD22 LEU 87 1HD2 LEU 87 28.204 14.260 -25.157 663 HD23 LEU 87 2HD2 LEU 87 27.524 15.445 -26.275 664 H LYS 88 H LYS 88 26.514 10.389 -25.387 665 HA LYS 88 HA LYS 88 28.973 9.221 -26.081 666 HB2 LYS 88 2HB LYS 88 28.567 7.668 -24.178 667 HB3 LYS 88 3HB LYS 88 28.310 9.357 -23.764 668 HG2 LYS 88 2HG LYS 88 25.910 9.067 -23.916 669 HG3 LYS 88 3HG LYS 88 26.121 7.395 -24.433 670 HD2 LYS 88 2HD LYS 88 27.035 8.497 -21.774 671 HD3 LYS 88 3HD LYS 88 25.518 7.636 -22.031 672 HE2 LYS 88 2HE LYS 88 28.283 6.523 -22.518 673 HE3 LYS 88 3HE LYS 88 27.258 6.164 -21.130 674 HZ1 LYS 88 3HZ LYS 88 25.628 5.192 -22.636 675 HZ2 LYS 88 1HZ LYS 88 27.127 4.421 -22.779 676 HZ3 LYS 88 2HZ LYS 88 26.625 5.520 -23.958 677 H ALA 89 H ALA 89 25.658 7.997 -26.442 678 HA ALA 89 HA ALA 89 26.237 5.394 -27.293 679 HB1 ALA 89 3HB ALA 89 23.939 7.142 -28.184 680 HB2 ALA 89 1HB ALA 89 23.979 6.174 -26.709 681 HB3 ALA 89 2HB ALA 89 24.013 5.383 -28.285 682 H GLU 90 H GLU 90 25.749 8.327 -29.284 683 HA GLU 90 HA GLU 90 26.435 7.031 -31.738 684 HB2 GLU 90 2HB GLU 90 26.349 9.989 -31.085 685 HB3 GLU 90 3HB GLU 90 26.399 9.293 -32.701 686 HG2 GLU 90 2HG GLU 90 24.232 8.155 -32.201 687 HG3 GLU 90 3HG GLU 90 24.173 9.045 -30.684 688 H GLY 91 H GLY 91 28.338 8.005 -29.161 689 HA2 GLY 91 2HA GLY 91 30.727 8.460 -30.821 690 HA3 GLY 91 3HA GLY 91 30.589 8.794 -29.103 691 H LEU 92 H LEU 92 29.207 5.911 -29.165 692 HA LEU 92 HA LEU 92 31.415 4.500 -28.125 693 HB2 LEU 92 2HB LEU 92 28.794 3.455 -29.209 694 HB3 LEU 92 3HB LEU 92 29.953 2.481 -28.324 695 HG LEU 92 HG LEU 92 28.446 4.865 -27.228 696 HD11 LEU 92 1HD1 LEU 92 27.306 3.213 -25.824 697 HD12 LEU 92 2HD1 LEU 92 28.164 1.914 -26.655 698 HD13 LEU 92 3HD1 LEU 92 27.016 2.921 -27.538 699 HD21 LEU 92 3HD2 LEU 92 30.668 4.692 -26.239 700 HD22 LEU 92 1HD2 LEU 92 30.382 2.994 -25.858 701 HD23 LEU 92 2HD2 LEU 92 29.426 4.250 -25.070 702 H GLU 93 H GLU 93 29.836 4.236 -31.309 703 HA GLU 93 HA GLU 93 32.363 3.204 -32.393 704 HB2 GLU 93 2HB GLU 93 31.185 1.518 -33.727 705 HB3 GLU 93 3HB GLU 93 30.967 1.240 -32.006 706 HG2 GLU 93 2HG GLU 93 28.730 2.212 -32.118 707 HG3 GLU 93 3HG GLU 93 28.947 2.529 -33.839 708 H HIS 94 H HIS 94 32.032 3.028 -34.948 709 HA HIS 94 HA HIS 94 31.406 5.766 -35.721 710 HB2 HIS 94 2HB HIS 94 32.828 3.540 -37.192 711 HB3 HIS 94 3HB HIS 94 32.586 5.161 -37.839 712 HD1 HIS 94 HD1 HIS 94 33.373 6.964 -35.609 713 HD2 HIS 94 HD2 HIS 94 35.423 3.441 -36.412 714 HE1 HIS 94 HE1 HIS 94 35.639 7.258 -34.584 715 HE2 HIS 94 HE2 HIS 94 36.923 5.219 -35.284 716 H HIS 95 H HIS 95 29.234 3.826 -35.235 717 HA HIS 95 HA HIS 95 27.988 3.236 -37.736 718 HB2 HIS 95 2HB HIS 95 27.444 2.041 -35.634 719 HB3 HIS 95 3HB HIS 95 26.761 3.520 -34.972 720 HD1 HIS 95 HD1 HIS 95 26.059 0.782 -37.431 721 HD2 HIS 95 HD2 HIS 95 24.183 4.135 -35.855 722 HE1 HIS 95 HE1 HIS 95 23.652 0.599 -38.127 723 HE2 HIS 95 HE2 HIS 95 22.509 2.518 -36.965 724 H HIS 96 H HIS 96 28.238 5.271 -38.852 725 HA HIS 96 HA HIS 96 27.259 7.736 -37.851 726 HB2 HIS 96 2HB HIS 96 27.888 6.850 -40.675 727 HB3 HIS 96 3HB HIS 96 27.469 8.504 -40.242 728 HD1 HIS 96 HD1 HIS 96 30.188 5.936 -39.750 729 HD2 HIS 96 HD2 HIS 96 29.527 9.996 -39.141 730 HE1 HIS 96 HE1 HIS 96 32.425 6.901 -39.158 731 HE2 HIS 96 HE2 HIS 96 31.973 9.314 -38.634 732 H HIS 97 H HIS 97 25.241 8.403 -37.607 733 HA HIS 97 HA HIS 97 23.041 6.954 -38.818 734 HB2 HIS 97 2HB HIS 97 23.049 9.325 -36.934 735 HB3 HIS 97 3HB HIS 97 21.620 8.412 -37.416 736 HD1 HIS 97 HD1 HIS 97 24.102 8.567 -34.830 737 HD2 HIS 97 HD2 HIS 97 21.894 5.544 -36.629 738 HE1 HIS 97 HE1 HIS 97 24.260 6.604 -33.277 739 HE2 HIS 97 HE2 HIS 97 22.733 4.874 -34.278 740 H HIS 98 H HIS 98 21.483 7.808 -40.187 741 HA HIS 98 HA HIS 98 22.543 9.606 -42.152 742 HB2 HIS 98 2HB HIS 98 19.857 8.237 -41.923 743 HB3 HIS 98 3HB HIS 98 20.362 9.191 -43.314 744 HD1 HIS 98 HD1 HIS 98 20.380 7.247 -44.961 745 HD2 HIS 98 HD2 HIS 98 22.783 6.597 -41.637 746 HE1 HIS 98 HE1 HIS 98 21.726 5.200 -45.494 747 HE2 HIS 98 HE2 HIS 98 23.292 4.939 -43.549 748 H HIS 99 H HIS 99 21.282 11.419 -43.057 749 HA HIS 99 HA HIS 99 20.044 13.036 -40.924 750 HB2 HIS 99 2HB HIS 99 22.136 13.923 -41.979 751 HB3 HIS 99 3HB HIS 99 21.289 13.988 -43.520 752 HD1 HIS 99 HD1 HIS 99 21.700 15.781 -40.307 753 HD2 HIS 99 HD2 HIS 99 19.318 16.032 -43.696 754 HE1 HIS 99 HE1 HIS 99 20.619 18.040 -40.196 755 HE2 HIS 99 HE2 HIS 99 19.019 18.066 -42.137 Start of MODEL 9 1 H1 GLU 1 1H GLU 1 1.623 1.950 -1.778 2 H2 GLU 1 2H GLU 1 0.287 1.873 -2.814 3 H3 GLU 1 3H GLU 1 0.898 3.375 -2.341 4 HA GLU 1 HA GLU 1 1.552 2.869 -4.599 5 HB2 GLU 1 2HB GLU 1 3.031 4.199 -3.115 6 HB3 GLU 1 3HB GLU 1 3.864 2.725 -2.645 7 HG2 GLU 1 2HG GLU 1 4.522 2.407 -5.021 8 HG3 GLU 1 3HG GLU 1 3.797 3.973 -5.388 9 H ASP 2 H ASP 2 1.225 1.059 -5.758 10 HA ASP 2 HA ASP 2 2.355 -1.492 -4.790 11 HB2 ASP 2 2HB ASP 2 -0.102 -1.026 -6.507 12 HB3 ASP 2 3HB ASP 2 0.422 -2.564 -5.825 13 HA PRO 3 HA PRO 3 4.752 -2.634 -8.324 14 HB2 PRO 3 2HB PRO 3 2.519 -4.385 -9.306 15 HB3 PRO 3 3HB PRO 3 4.251 -4.730 -9.195 16 HG2 PRO 3 2HG PRO 3 2.608 -5.666 -7.345 17 HG3 PRO 3 3HG PRO 3 4.185 -5.000 -6.881 18 HD2 PRO 3 2HD PRO 3 1.465 -3.823 -6.565 19 HD3 PRO 3 3HD PRO 3 2.901 -3.641 -5.538 20 H GLU 4 H GLU 4 1.429 -1.712 -9.161 21 HA GLU 4 HA GLU 4 2.057 -1.293 -11.951 22 HB2 GLU 4 2HB GLU 4 -0.380 -0.612 -10.302 23 HB3 GLU 4 3HB GLU 4 -0.251 -0.273 -12.025 24 HG2 GLU 4 2HG GLU 4 -0.005 -2.633 -12.508 25 HG3 GLU 4 3HG GLU 4 -0.028 -3.012 -10.786 26 H ASP 5 H ASP 5 2.197 0.664 -9.093 27 HA ASP 5 HA ASP 5 1.971 3.223 -10.248 28 HB2 ASP 5 2HB ASP 5 3.439 2.285 -7.773 29 HB3 ASP 5 3HB ASP 5 3.225 3.982 -8.200 30 HA PRO 6 HA PRO 6 5.370 3.861 -12.919 31 HB2 PRO 6 2HB PRO 6 5.823 6.385 -11.370 32 HB3 PRO 6 3HB PRO 6 5.703 6.144 -13.117 33 HG2 PRO 6 2HG PRO 6 3.665 7.142 -11.716 34 HG3 PRO 6 3HG PRO 6 3.393 6.044 -13.080 35 HD2 PRO 6 2HD PRO 6 3.118 5.546 -10.165 36 HD3 PRO 6 3HD PRO 6 2.279 4.779 -11.527 37 H PHE 7 H PHE 7 6.350 5.259 -9.762 38 HA PHE 7 HA PHE 7 9.087 4.687 -10.135 39 HB2 PHE 7 2HB PHE 7 8.191 6.448 -8.616 40 HB3 PHE 7 3HB PHE 7 7.650 5.185 -7.517 41 HD1 PHE 7 HD1 PHE 7 10.670 6.645 -9.105 42 HD2 PHE 7 HD2 PHE 7 9.126 4.275 -5.917 43 HE1 PHE 7 HE1 PHE 7 12.878 6.667 -8.021 44 HE2 PHE 7 HE2 PHE 7 11.332 4.296 -4.831 45 HZ PHE 7 HZ PHE 7 13.212 5.494 -5.881 46 H THR 8 H THR 8 6.486 2.790 -8.727 47 HA THR 8 HA THR 8 8.154 0.970 -7.291 48 HB THR 8 HB THR 8 5.353 0.451 -8.319 49 HG1 THR 8 HG1 THR 8 5.930 1.277 -5.688 50 HG21 THR 8 3HG2 THR 8 6.896 -0.759 -6.014 51 HG22 THR 8 1HG2 THR 8 6.520 -1.564 -7.539 52 HG23 THR 8 2HG2 THR 8 5.221 -1.115 -6.434 53 H ARG 9 H ARG 9 6.338 0.526 -10.358 54 HA ARG 9 HA ARG 9 7.548 -1.923 -11.067 55 HB2 ARG 9 2HB ARG 9 6.771 -1.385 -13.386 56 HB3 ARG 9 3HB ARG 9 5.524 -1.253 -12.154 57 HG2 ARG 9 2HG ARG 9 5.923 1.218 -12.121 58 HG3 ARG 9 3HG ARG 9 6.999 1.000 -13.504 59 HD2 ARG 9 2HD ARG 9 4.068 0.276 -13.397 60 HD3 ARG 9 3HD ARG 9 4.761 1.675 -14.217 61 HE ARG 9 HE ARG 9 6.055 -0.448 -15.320 62 HH11 ARG 9 1HH1 ARG 9 2.764 0.491 -14.991 63 HH12 ARG 9 2HH1 ARG 9 2.255 -0.415 -16.369 64 HH21 ARG 9 1HH2 ARG 9 5.391 -1.583 -17.111 65 HH22 ARG 9 2HH2 ARG 9 3.719 -1.590 -17.543 66 H TYR 10 H TYR 10 8.516 1.406 -11.647 67 HA TYR 10 HA TYR 10 10.760 1.032 -13.271 68 HB2 TYR 10 2HB TYR 10 9.917 3.236 -12.833 69 HB3 TYR 10 3HB TYR 10 10.111 3.035 -11.100 70 HD1 TYR 10 HD1 TYR 10 11.968 3.510 -14.280 71 HD2 TYR 10 HD2 TYR 10 12.140 3.614 -10.023 72 HE1 TYR 10 HE1 TYR 10 14.132 4.671 -14.396 73 HE2 TYR 10 HE2 TYR 10 14.306 4.768 -10.134 74 HH TYR 10 HH TYR 10 15.437 6.268 -12.821 75 H ALA 11 H ALA 11 10.533 1.070 -9.708 76 HA ALA 11 HA ALA 11 13.220 0.472 -9.146 77 HB1 ALA 11 3HB ALA 11 11.646 1.352 -7.478 78 HB2 ALA 11 1HB ALA 11 12.454 -0.108 -6.906 79 HB3 ALA 11 2HB ALA 11 10.787 -0.189 -7.479 80 H LEU 12 H LEU 12 10.402 -1.735 -9.333 81 HA LEU 12 HA LEU 12 11.781 -4.130 -8.883 82 HB2 LEU 12 2HB LEU 12 9.203 -3.450 -10.248 83 HB3 LEU 12 3HB LEU 12 9.833 -5.079 -10.401 84 HG LEU 12 HG LEU 12 8.175 -4.920 -8.600 85 HD11 LEU 12 1HD1 LEU 12 9.483 -5.966 -6.819 86 HD12 LEU 12 2HD1 LEU 12 10.974 -5.417 -7.585 87 HD13 LEU 12 3HD1 LEU 12 9.936 -6.583 -8.408 88 HD21 LEU 12 3HD2 LEU 12 8.679 -3.672 -6.541 89 HD22 LEU 12 1HD2 LEU 12 8.488 -2.605 -7.932 90 HD23 LEU 12 2HD2 LEU 12 10.100 -2.974 -7.320 91 H ALA 13 H ALA 13 11.296 -2.315 -11.886 92 HA ALA 13 HA ALA 13 12.431 -4.153 -13.678 93 HB1 ALA 13 3HB ALA 13 12.825 -2.253 -15.145 94 HB2 ALA 13 1HB ALA 13 12.594 -1.137 -13.797 95 HB3 ALA 13 2HB ALA 13 11.243 -2.111 -14.377 96 H GLN 14 H GLN 14 13.968 -1.566 -11.761 97 HA GLN 14 HA GLN 14 16.634 -2.041 -12.519 98 HB2 GLN 14 2HB GLN 14 15.623 -1.083 -9.828 99 HB3 GLN 14 3HB GLN 14 17.253 -0.873 -10.455 100 HG2 GLN 14 2HG GLN 14 16.387 0.564 -12.236 101 HG3 GLN 14 3HG GLN 14 14.749 0.343 -11.619 102 HE21 GLN 14 1HE2 GLN 14 17.817 1.868 -11.102 103 HE22 GLN 14 2HE2 GLN 14 17.304 2.930 -9.841 104 H GLU 15 H GLU 15 14.657 -3.492 -9.952 105 HA GLU 15 HA GLU 15 16.662 -5.078 -8.777 106 HB2 GLU 15 2HB GLU 15 13.700 -5.677 -8.959 107 HB3 GLU 15 3HB GLU 15 14.833 -6.407 -7.830 108 HG2 GLU 15 2HG GLU 15 13.919 -3.540 -7.920 109 HG3 GLU 15 3HG GLU 15 13.586 -4.735 -6.671 110 H HIS 16 H HIS 16 14.545 -5.694 -11.558 111 HA HIS 16 HA HIS 16 15.336 -8.369 -12.016 112 HB2 HIS 16 2HB HIS 16 14.363 -6.241 -13.933 113 HB3 HIS 16 3HB HIS 16 14.687 -7.898 -14.429 114 HD1 HIS 16 HD1 HIS 16 13.284 -9.706 -12.737 115 HD2 HIS 16 HD2 HIS 16 11.755 -5.888 -13.327 116 HE1 HIS 16 HE1 HIS 16 10.844 -9.865 -12.185 117 HE2 HIS 16 HE2 HIS 16 9.922 -7.572 -12.629 118 H LEU 17 H LEU 17 16.736 -5.282 -13.103 119 HA LEU 17 HA LEU 17 18.860 -6.311 -14.634 120 HB2 LEU 17 2HB LEU 17 18.740 -3.803 -12.943 121 HB3 LEU 17 3HB LEU 17 20.002 -4.151 -14.110 122 HG LEU 17 HG LEU 17 17.070 -3.808 -14.783 123 HD11 LEU 17 1HD1 LEU 17 17.737 -1.678 -15.781 124 HD12 LEU 17 2HD1 LEU 17 19.387 -1.914 -15.203 125 HD13 LEU 17 3HD1 LEU 17 18.069 -1.705 -14.050 126 HD21 LEU 17 3HD2 LEU 17 18.232 -5.317 -16.320 127 HD22 LEU 17 1HD2 LEU 17 19.487 -4.104 -16.579 128 HD23 LEU 17 2HD2 LEU 17 17.835 -3.792 -17.111 129 H LYS 18 H LYS 18 18.611 -5.677 -11.155 130 HA LYS 18 HA LYS 18 21.222 -6.463 -10.418 131 HB2 LYS 18 2HB LYS 18 18.627 -6.550 -8.861 132 HB3 LYS 18 3HB LYS 18 20.213 -6.823 -8.149 133 HG2 LYS 18 2HG LYS 18 20.894 -4.580 -8.615 134 HG3 LYS 18 3HG LYS 18 19.451 -4.284 -9.587 135 HD2 LYS 18 2HD LYS 18 19.295 -3.264 -7.350 136 HD3 LYS 18 3HD LYS 18 18.045 -4.478 -7.615 137 HE2 LYS 18 2HE LYS 18 19.406 -6.117 -6.359 138 HE3 LYS 18 3HE LYS 18 20.603 -4.858 -6.052 139 HZ1 LYS 18 3HZ LYS 18 17.765 -4.703 -5.202 140 HZ2 LYS 18 1HZ LYS 18 19.003 -3.627 -4.796 141 HZ3 LYS 18 2HZ LYS 18 19.030 -5.210 -4.203 142 H HIS 19 H HIS 19 18.338 -8.327 -11.120 143 HA HIS 19 HA HIS 19 19.569 -10.849 -10.308 144 HB2 HIS 19 2HB HIS 19 16.874 -10.113 -11.454 145 HB3 HIS 19 3HB HIS 19 17.391 -11.790 -11.328 146 HD1 HIS 19 HD1 HIS 19 16.379 -12.841 -9.359 147 HD2 HIS 19 HD2 HIS 19 17.336 -8.864 -8.625 148 HE1 HIS 19 HE1 HIS 19 15.696 -12.412 -6.982 149 HE2 HIS 19 HE2 HIS 19 16.503 -10.082 -6.503 150 H ASP 20 H ASP 20 20.239 -8.950 -12.776 151 HA ASP 20 HA ASP 20 21.183 -9.187 -14.825 152 HB2 ASP 20 2HB ASP 20 22.416 -11.058 -13.845 153 HB3 ASP 20 3HB ASP 20 21.079 -12.146 -14.185 154 H ASN 21 H ASN 21 18.120 -9.934 -14.142 155 HA ASN 21 HA ASN 21 17.245 -11.067 -16.647 156 HB2 ASN 21 2HB ASN 21 15.780 -9.868 -14.290 157 HB3 ASN 21 3HB ASN 21 14.946 -10.453 -15.727 158 HD21 ASN 21 1HD2 ASN 21 16.398 -12.700 -16.316 159 HD22 ASN 21 2HD2 ASN 21 16.197 -13.858 -15.048 160 H ALA 22 H ALA 22 18.540 -9.310 -17.797 161 HA ALA 22 HA ALA 22 17.694 -6.619 -17.839 162 HB1 ALA 22 3HB ALA 22 19.028 -6.408 -19.871 163 HB2 ALA 22 1HB ALA 22 19.122 -8.165 -20.002 164 HB3 ALA 22 2HB ALA 22 19.890 -7.340 -18.646 165 H SER 23 H SER 23 16.783 -9.381 -19.886 166 HA SER 23 HA SER 23 15.179 -7.912 -21.706 167 HB2 SER 23 2HB SER 23 14.961 -10.843 -20.949 168 HB3 SER 23 3HB SER 23 14.273 -10.093 -22.389 169 HG SER 23 HG SER 23 16.448 -11.221 -22.483 170 H ARG 24 H ARG 24 14.518 -9.316 -18.565 171 HA ARG 24 HA ARG 24 11.668 -8.966 -18.690 172 HB2 ARG 24 2HB ARG 24 13.579 -9.534 -16.422 173 HB3 ARG 24 3HB ARG 24 11.852 -9.343 -16.166 174 HG2 ARG 24 2HG ARG 24 13.143 -11.416 -17.937 175 HG3 ARG 24 3HG ARG 24 12.492 -11.699 -16.320 176 HD2 ARG 24 2HD ARG 24 10.260 -11.049 -17.108 177 HD3 ARG 24 3HD ARG 24 10.912 -10.756 -18.720 178 HE ARG 24 HE ARG 24 11.251 -13.432 -17.624 179 HH11 ARG 24 1HH1 ARG 24 9.571 -11.346 -19.793 180 HH12 ARG 24 2HH1 ARG 24 8.818 -12.657 -20.632 181 HH21 ARG 24 1HH2 ARG 24 10.312 -15.098 -18.738 182 HH22 ARG 24 2HH2 ARG 24 9.254 -14.751 -20.062 183 H ALA 25 H ALA 25 14.331 -7.158 -17.152 184 HA ALA 25 HA ALA 25 12.796 -5.053 -16.090 185 HB1 ALA 25 3HB ALA 25 15.632 -4.953 -17.130 186 HB2 ALA 25 1HB ALA 25 15.149 -5.437 -15.503 187 HB3 ALA 25 2HB ALA 25 14.879 -3.781 -16.047 188 H LEU 26 H LEU 26 14.374 -5.428 -19.236 189 HA LEU 26 HA LEU 26 13.853 -2.994 -20.419 190 HB2 LEU 26 2HB LEU 26 15.220 -4.838 -21.376 191 HB3 LEU 26 3HB LEU 26 13.747 -5.713 -21.741 192 HG LEU 26 HG LEU 26 13.080 -3.930 -23.316 193 HD11 LEU 26 1HD1 LEU 26 14.211 -2.051 -22.251 194 HD12 LEU 26 2HD1 LEU 26 14.673 -2.193 -23.946 195 HD13 LEU 26 3HD1 LEU 26 15.778 -2.737 -22.683 196 HD21 LEU 26 3HD2 LEU 26 15.855 -5.014 -23.829 197 HD22 LEU 26 1HD2 LEU 26 14.725 -4.425 -25.049 198 HD23 LEU 26 2HD2 LEU 26 14.343 -5.877 -24.124 199 H ALA 27 H ALA 27 11.759 -5.880 -20.404 200 HA ALA 27 HA ALA 27 9.622 -4.899 -21.884 201 HB1 ALA 27 3HB ALA 27 8.261 -6.600 -20.773 202 HB2 ALA 27 1HB ALA 27 9.508 -6.801 -19.541 203 HB3 ALA 27 2HB ALA 27 9.844 -7.242 -21.215 204 H LEU 28 H LEU 28 10.153 -4.657 -18.359 205 HA LEU 28 HA LEU 28 7.744 -3.310 -17.770 206 HB2 LEU 28 2HB LEU 28 10.388 -3.314 -16.307 207 HB3 LEU 28 3HB LEU 28 8.922 -2.587 -15.672 208 HG LEU 28 HG LEU 28 9.366 -5.522 -16.256 209 HD11 LEU 28 1HD1 LEU 28 9.113 -5.797 -13.844 210 HD12 LEU 28 2HD1 LEU 28 8.939 -4.051 -13.653 211 HD13 LEU 28 3HD1 LEU 28 10.464 -4.729 -14.222 212 HD21 LEU 28 3HD2 LEU 28 7.121 -5.866 -15.318 213 HD22 LEU 28 1HD2 LEU 28 7.071 -4.911 -16.799 214 HD23 LEU 28 2HD2 LEU 28 6.892 -4.119 -15.231 215 H PHE 29 H PHE 29 11.001 -2.038 -18.501 216 HA PHE 29 HA PHE 29 10.351 0.697 -18.199 217 HB2 PHE 29 2HB PHE 29 12.496 -0.692 -19.805 218 HB3 PHE 29 3HB PHE 29 12.348 1.059 -19.753 219 HD1 PHE 29 HD2 PHE 29 12.063 1.955 -17.195 220 HD2 PHE 29 HD1 PHE 29 14.093 -1.590 -18.411 221 HE1 PHE 29 HE2 PHE 29 13.417 2.029 -15.143 222 HE2 PHE 29 HE1 PHE 29 15.449 -1.516 -16.358 223 HZ PHE 29 HZ PHE 29 15.114 0.295 -14.724 224 H GLU 30 H GLU 30 10.385 -1.357 -21.130 225 HA GLU 30 HA GLU 30 9.617 0.602 -22.973 226 HB2 GLU 30 2HB GLU 30 8.994 -2.364 -22.991 227 HB3 GLU 30 3HB GLU 30 8.805 -1.291 -24.372 228 HG2 GLU 30 2HG GLU 30 11.222 -0.833 -24.330 229 HG3 GLU 30 3HG GLU 30 11.399 -1.947 -22.975 230 H GLU 31 H GLU 31 7.573 -1.604 -21.050 231 HA GLU 31 HA GLU 31 5.092 -0.617 -21.989 232 HB2 GLU 31 2HB GLU 31 5.503 -2.779 -20.706 233 HB3 GLU 31 3HB GLU 31 5.577 -1.800 -19.247 234 HG2 GLU 31 2HG GLU 31 3.283 -1.007 -19.690 235 HG3 GLU 31 3HG GLU 31 3.215 -2.052 -21.107 236 H LEU 32 H LEU 32 7.223 0.413 -19.372 237 HA LEU 32 HA LEU 32 5.554 2.272 -18.104 238 HB2 LEU 32 2HB LEU 32 8.436 1.732 -18.219 239 HB3 LEU 32 3HB LEU 32 8.066 3.420 -17.935 240 HG LEU 32 HG LEU 32 6.998 1.151 -16.247 241 HD11 LEU 32 1HD1 LEU 32 8.632 1.870 -14.568 242 HD12 LEU 32 2HD1 LEU 32 9.311 3.021 -15.720 243 HD13 LEU 32 3HD1 LEU 32 9.419 1.289 -16.034 244 HD21 LEU 32 3HD2 LEU 32 5.587 3.141 -16.232 245 HD22 LEU 32 1HD2 LEU 32 6.983 4.146 -15.838 246 HD23 LEU 32 2HD2 LEU 32 6.405 2.945 -14.683 247 H VAL 33 H VAL 33 7.518 2.594 -21.022 248 HA VAL 33 HA VAL 33 7.351 5.380 -21.337 249 HB VAL 33 HB VAL 33 7.538 3.256 -23.491 250 HG11 VAL 33 1HG1 VAL 33 8.174 6.209 -23.644 251 HG12 VAL 33 2HG1 VAL 33 6.810 5.403 -24.419 252 HG13 VAL 33 3HG1 VAL 33 8.458 5.022 -24.918 253 HG21 VAL 33 3HG2 VAL 33 9.950 3.715 -23.414 254 HG22 VAL 33 1HG2 VAL 33 9.355 3.121 -21.864 255 HG23 VAL 33 2HG2 VAL 33 9.695 4.839 -22.079 256 H GLU 34 H GLU 34 5.130 2.812 -22.405 257 HA GLU 34 HA GLU 34 3.390 4.708 -23.731 258 HB2 GLU 34 2HB GLU 34 1.936 2.758 -24.168 259 HB3 GLU 34 3HB GLU 34 3.588 2.518 -24.710 260 HG2 GLU 34 2HG GLU 34 4.046 1.145 -22.746 261 HG3 GLU 34 3HG GLU 34 2.399 1.406 -22.175 262 H THR 35 H THR 35 3.455 3.059 -20.608 263 HA THR 35 HA THR 35 0.755 3.813 -19.910 264 HB THR 35 HB THR 35 1.254 3.006 -17.657 265 HG1 THR 35 HG1 THR 35 3.270 3.363 -17.070 266 HG21 THR 35 3HG2 THR 35 0.687 1.325 -19.336 267 HG22 THR 35 1HG2 THR 35 1.861 0.677 -18.189 268 HG23 THR 35 2HG2 THR 35 2.384 1.185 -19.796 269 H ASP 36 H ASP 36 3.960 4.854 -18.731 270 HA ASP 36 HA ASP 36 2.765 7.441 -17.951 271 HB2 ASP 36 2HB ASP 36 4.887 5.885 -16.448 272 HB3 ASP 36 3HB ASP 36 4.307 7.491 -16.017 273 HA PRO 37 HA PRO 37 6.375 8.193 -20.848 274 HB2 PRO 37 2HB PRO 37 5.125 10.018 -22.421 275 HB3 PRO 37 3HB PRO 37 4.973 8.277 -22.682 276 HG2 PRO 37 2HG PRO 37 3.093 10.149 -21.282 277 HG3 PRO 37 3HG PRO 37 2.726 8.878 -22.465 278 HD2 PRO 37 2HD PRO 37 2.410 8.514 -19.799 279 HD3 PRO 37 3HD PRO 37 2.881 7.192 -20.889 280 H ASP 38 H ASP 38 4.506 9.989 -18.677 281 HA ASP 38 HA ASP 38 5.812 12.535 -18.965 282 HB2 ASP 38 2HB ASP 38 4.277 11.640 -16.527 283 HB3 ASP 38 3HB ASP 38 4.413 13.259 -17.211 284 H TYR 39 H TYR 39 6.570 9.581 -17.416 285 HA TYR 39 HA TYR 39 8.204 10.756 -15.316 286 HB2 TYR 39 2HB TYR 39 6.887 8.735 -14.848 287 HB3 TYR 39 3HB TYR 39 7.770 7.861 -16.093 288 HD1 TYR 39 HD1 TYR 39 9.126 10.183 -13.502 289 HD2 TYR 39 HD2 TYR 39 8.850 6.161 -14.884 290 HE1 TYR 39 HE1 TYR 39 10.786 9.495 -11.825 291 HE2 TYR 39 HE2 TYR 39 10.505 5.470 -13.210 292 HH TYR 39 HH TYR 39 11.427 7.393 -10.621 293 H VAL 40 H VAL 40 10.008 11.699 -16.075 294 HA VAL 40 HA VAL 40 11.419 10.959 -18.401 295 HB VAL 40 HB VAL 40 12.430 12.586 -16.055 296 HG11 VAL 40 1HG1 VAL 40 13.973 13.600 -17.674 297 HG12 VAL 40 2HG1 VAL 40 13.385 12.502 -18.924 298 HG13 VAL 40 3HG1 VAL 40 14.248 11.865 -17.524 299 HG21 VAL 40 3HG2 VAL 40 10.360 13.517 -16.924 300 HG22 VAL 40 1HG2 VAL 40 11.000 13.468 -18.568 301 HG23 VAL 40 2HG2 VAL 40 11.719 14.547 -17.373 302 H GLY 41 H GLY 41 11.864 10.043 -15.020 303 HA2 GLY 41 2HA GLY 41 14.424 9.006 -15.006 304 HA3 GLY 41 3HA GLY 41 13.104 8.367 -14.044 305 H THR 42 H THR 42 11.505 7.468 -16.287 306 HA THR 42 HA THR 42 12.505 4.870 -16.665 307 HB THR 42 HB THR 42 10.449 6.347 -18.338 308 HG1 THR 42 HG1 THR 42 8.965 5.461 -16.953 309 HG21 THR 42 3HG2 THR 42 11.308 4.399 -19.543 310 HG22 THR 42 1HG2 THR 42 9.657 4.110 -18.994 311 HG23 THR 42 2HG2 THR 42 11.012 3.382 -18.132 312 H TYR 43 H TYR 43 12.452 7.630 -18.930 313 HA TYR 43 HA TYR 43 13.466 6.281 -21.163 314 HB2 TYR 43 2HB TYR 43 13.641 9.217 -20.447 315 HB3 TYR 43 3HB TYR 43 14.021 8.553 -22.034 316 HD1 TYR 43 HD2 TYR 43 12.201 7.417 -23.352 317 HD2 TYR 43 HD1 TYR 43 11.386 9.659 -19.823 318 HE1 TYR 43 HE2 TYR 43 9.841 7.580 -24.007 319 HE2 TYR 43 HE1 TYR 43 9.020 9.823 -20.472 320 HH TYR 43 HH TYR 43 7.647 7.935 -22.917 321 H TYR 44 H TYR 44 15.218 8.172 -18.702 322 HA TYR 44 HA TYR 44 17.749 8.051 -19.917 323 HB2 TYR 44 2HB TYR 44 17.161 9.589 -18.050 324 HB3 TYR 44 3HB TYR 44 17.155 8.216 -16.946 325 HD1 TYR 44 HD2 TYR 44 19.266 10.462 -18.956 326 HD2 TYR 44 HD1 TYR 44 19.246 7.182 -16.235 327 HE1 TYR 44 HE2 TYR 44 21.679 10.750 -18.597 328 HE2 TYR 44 HE1 TYR 44 21.659 7.466 -15.873 329 HH TYR 44 HH TYR 44 23.355 10.188 -16.746 330 H HIS 45 H HIS 45 16.438 6.000 -17.282 331 HA HIS 45 HA HIS 45 18.755 4.331 -17.204 332 HB2 HIS 45 2HB HIS 45 15.988 3.938 -16.040 333 HB3 HIS 45 3HB HIS 45 17.354 2.871 -15.721 334 HD1 HIS 45 HD1 HIS 45 18.428 3.403 -13.541 335 HD2 HIS 45 HD2 HIS 45 16.885 6.807 -15.361 336 HE1 HIS 45 HE1 HIS 45 18.932 5.291 -11.972 337 HE2 HIS 45 HE2 HIS 45 18.132 7.356 -13.162 338 H LEU 46 H LEU 46 15.706 4.140 -18.943 339 HA LEU 46 HA LEU 46 15.953 1.485 -19.895 340 HB2 LEU 46 2HB LEU 46 13.842 2.617 -20.064 341 HB3 LEU 46 3HB LEU 46 14.545 3.910 -21.016 342 HG LEU 46 HG LEU 46 14.853 2.393 -22.911 343 HD11 LEU 46 1HD1 LEU 46 15.273 0.323 -21.722 344 HD12 LEU 46 2HD1 LEU 46 13.940 0.115 -22.856 345 HD13 LEU 46 3HD1 LEU 46 13.612 0.296 -21.134 346 HD21 LEU 46 3HD2 LEU 46 12.054 2.282 -21.773 347 HD22 LEU 46 1HD2 LEU 46 12.496 2.014 -23.461 348 HD23 LEU 46 2HD2 LEU 46 12.739 3.599 -22.728 349 H GLY 47 H GLY 47 16.985 4.599 -21.299 350 HA2 GLY 47 2HA GLY 47 18.085 3.637 -23.687 351 HA3 GLY 47 3HA GLY 47 18.602 5.094 -22.855 352 H LYS 48 H LYS 48 19.675 4.089 -20.523 353 HA LYS 48 HA LYS 48 22.247 3.259 -21.238 354 HB2 LYS 48 2HB LYS 48 20.948 2.701 -18.559 355 HB3 LYS 48 3HB LYS 48 22.662 2.910 -18.890 356 HG2 LYS 48 2HG LYS 48 20.554 5.055 -19.132 357 HG3 LYS 48 3HG LYS 48 21.674 4.867 -17.786 358 HD2 LYS 48 2HD LYS 48 22.701 5.196 -20.595 359 HD3 LYS 48 3HD LYS 48 22.199 6.599 -19.656 360 HE2 LYS 48 2HE LYS 48 24.578 6.303 -19.422 361 HE3 LYS 48 3HE LYS 48 23.803 5.941 -17.882 362 HZ1 LYS 48 3HZ LYS 48 24.052 3.606 -18.309 363 HZ2 LYS 48 1HZ LYS 48 25.556 4.355 -18.488 364 HZ3 LYS 48 2HZ LYS 48 24.675 3.902 -19.853 365 H LEU 49 H LEU 49 19.397 1.371 -20.400 366 HA LEU 49 HA LEU 49 20.692 -1.171 -20.329 367 HB2 LEU 49 2HB LEU 49 18.531 -0.783 -19.247 368 HB3 LEU 49 3HB LEU 49 17.789 -0.451 -20.801 369 HG LEU 49 HG LEU 49 18.074 -2.775 -21.488 370 HD11 LEU 49 1HD1 LEU 49 18.970 -4.463 -19.964 371 HD12 LEU 49 2HD1 LEU 49 19.373 -3.208 -18.794 372 HD13 LEU 49 3HD1 LEU 49 20.192 -3.252 -20.355 373 HD21 LEU 49 3HD2 LEU 49 16.566 -3.842 -19.896 374 HD22 LEU 49 1HD2 LEU 49 16.065 -2.181 -20.212 375 HD23 LEU 49 2HD2 LEU 49 16.899 -2.582 -18.710 376 H TYR 50 H TYR 50 18.893 0.583 -22.875 377 HA TYR 50 HA TYR 50 19.121 -1.321 -24.913 378 HB2 TYR 50 2HB TYR 50 18.876 1.673 -24.920 379 HB3 TYR 50 3HB TYR 50 19.185 0.830 -26.432 380 HD1 TYR 50 HD2 TYR 50 17.564 -1.549 -26.291 381 HD2 TYR 50 HD1 TYR 50 16.653 2.384 -24.932 382 HE1 TYR 50 HE2 TYR 50 15.169 -2.011 -26.578 383 HE2 TYR 50 HE1 TYR 50 14.253 1.930 -25.220 384 HH TYR 50 HH TYR 50 13.002 -1.193 -25.726 385 H GLU 51 H GLU 51 21.364 1.326 -24.071 386 HA GLU 51 HA GLU 51 23.300 0.834 -26.022 387 HB2 GLU 51 2HB GLU 51 23.670 1.911 -23.219 388 HB3 GLU 51 3HB GLU 51 24.886 1.987 -24.488 389 HG2 GLU 51 2HG GLU 51 23.348 3.357 -25.848 390 HG3 GLU 51 3HG GLU 51 22.178 3.317 -24.530 391 H ARG 52 H ARG 52 22.875 -0.674 -22.836 392 HA ARG 52 HA ARG 52 25.225 -2.237 -22.839 393 HB2 ARG 52 2HB ARG 52 23.884 -1.958 -20.816 394 HB3 ARG 52 3HB ARG 52 22.533 -2.801 -21.563 395 HG2 ARG 52 2HG ARG 52 23.754 -4.876 -21.578 396 HG3 ARG 52 3HG ARG 52 25.220 -4.069 -21.021 397 HD2 ARG 52 2HD ARG 52 24.218 -3.595 -18.884 398 HD3 ARG 52 3HD ARG 52 22.648 -4.177 -19.439 399 HE ARG 52 HE ARG 52 23.992 -6.387 -19.726 400 HH11 ARG 52 1HH1 ARG 52 24.392 -4.109 -17.166 401 HH12 ARG 52 2HH1 ARG 52 24.826 -5.321 -16.014 402 HH21 ARG 52 1HH2 ARG 52 24.540 -7.929 -18.236 403 HH22 ARG 52 2HH2 ARG 52 24.894 -7.461 -16.610 404 H LEU 53 H LEU 53 22.014 -2.817 -24.194 405 HA LEU 53 HA LEU 53 22.754 -5.428 -25.238 406 HB2 LEU 53 2HB LEU 53 20.244 -3.783 -25.625 407 HB3 LEU 53 3HB LEU 53 20.459 -5.445 -26.145 408 HG LEU 53 HG LEU 53 20.461 -4.486 -23.273 409 HD11 LEU 53 1HD1 LEU 53 18.397 -6.076 -24.801 410 HD12 LEU 53 2HD1 LEU 53 18.243 -4.393 -24.297 411 HD13 LEU 53 3HD1 LEU 53 18.336 -5.670 -23.085 412 HD21 LEU 53 3HD2 LEU 53 20.452 -6.891 -22.712 413 HD22 LEU 53 1HD2 LEU 53 21.929 -6.394 -23.535 414 HD23 LEU 53 2HD2 LEU 53 20.682 -7.275 -24.418 415 H ASP 54 H ASP 54 23.948 -2.719 -26.166 416 HA ASP 54 HA ASP 54 24.942 -1.958 -28.052 417 HB2 ASP 54 2HB ASP 54 25.474 -4.260 -28.589 418 HB3 ASP 54 3HB ASP 54 23.868 -4.514 -29.264 419 H ARG 55 H ARG 55 21.720 -1.994 -27.618 420 HA ARG 55 HA ARG 55 20.825 -1.165 -30.233 421 HB2 ARG 55 2HB ARG 55 19.397 -0.917 -27.572 422 HB3 ARG 55 3HB ARG 55 18.667 -0.778 -29.167 423 HG2 ARG 55 2HG ARG 55 19.860 -3.260 -27.929 424 HG3 ARG 55 3HG ARG 55 18.153 -2.933 -28.234 425 HD2 ARG 55 2HD ARG 55 20.323 -3.307 -30.302 426 HD3 ARG 55 3HD ARG 55 19.013 -4.427 -29.932 427 HE ARG 55 HE ARG 55 18.186 -1.790 -30.781 428 HH11 ARG 55 1HH1 ARG 55 18.844 -5.043 -31.732 429 HH12 ARG 55 2HH1 ARG 55 17.984 -4.881 -33.223 430 HH21 ARG 55 1HH2 ARG 55 17.074 -1.617 -32.666 431 HH22 ARG 55 2HH2 ARG 55 16.987 -2.972 -33.740 432 H THR 56 H THR 56 22.660 0.473 -30.240 433 HA THR 56 HA THR 56 22.625 2.781 -28.617 434 HB THR 56 HB THR 56 23.769 2.463 -31.409 435 HG1 THR 56 HG1 THR 56 25.466 2.416 -29.221 436 HG21 THR 56 3HG2 THR 56 24.391 4.486 -29.241 437 HG22 THR 56 1HG2 THR 56 23.606 4.818 -30.785 438 HG23 THR 56 2HG2 THR 56 25.292 4.301 -30.746 439 H ASP 57 H ASP 57 21.454 2.298 -31.959 440 HA ASP 57 HA ASP 57 20.477 4.908 -32.352 441 HB2 ASP 57 2HB ASP 57 20.879 3.326 -34.189 442 HB3 ASP 57 3HB ASP 57 19.566 2.304 -33.610 443 H ASP 58 H ASP 58 18.801 1.947 -31.341 444 HA ASP 58 HA ASP 58 16.239 2.960 -30.951 445 HB2 ASP 58 2HB ASP 58 17.576 0.846 -29.240 446 HB3 ASP 58 3HB ASP 58 15.851 1.027 -29.558 447 H ALA 59 H ALA 59 19.008 2.901 -28.728 448 HA ALA 59 HA ALA 59 17.769 4.060 -26.489 449 HB1 ALA 59 3HB ALA 59 20.012 4.599 -25.720 450 HB2 ALA 59 1HB ALA 59 20.654 4.340 -27.343 451 HB3 ALA 59 2HB ALA 59 19.989 2.985 -26.432 452 H ILE 60 H ILE 60 19.437 5.562 -29.253 453 HA ILE 60 HA ILE 60 19.375 8.226 -28.442 454 HB ILE 60 HB ILE 60 19.134 7.112 -31.249 455 HG12 ILE 60 2HG1 ILE 60 21.546 8.155 -29.733 456 HG13 ILE 60 3HG1 ILE 60 21.180 6.454 -29.996 457 HG21 ILE 60 1HG2 ILE 60 18.351 9.410 -31.227 458 HG22 ILE 60 2HG2 ILE 60 19.930 9.324 -32.007 459 HG23 ILE 60 3HG2 ILE 60 19.796 9.923 -30.353 460 HD11 ILE 60 3HD1 ILE 60 22.874 7.233 -31.539 461 HD12 ILE 60 1HD1 ILE 60 21.784 8.486 -32.135 462 HD13 ILE 60 2HD1 ILE 60 21.405 6.784 -32.407 463 H ASP 61 H ASP 61 16.923 6.506 -30.428 464 HA ASP 61 HA ASP 61 15.053 8.594 -30.554 465 HB2 ASP 61 2HB ASP 61 14.626 5.599 -30.578 466 HB3 ASP 61 3HB ASP 61 13.354 6.769 -30.921 467 H THR 62 H THR 62 15.482 6.070 -28.103 468 HA THR 62 HA THR 62 13.265 6.642 -26.485 469 HB THR 62 HB THR 62 15.996 5.633 -25.632 470 HG1 THR 62 HG1 THR 62 14.924 4.261 -27.125 471 HG21 THR 62 3HG2 THR 62 14.848 4.730 -23.652 472 HG22 THR 62 1HG2 THR 62 13.352 5.514 -24.163 473 HG23 THR 62 2HG2 THR 62 14.747 6.490 -23.702 474 H TYR 63 H TYR 63 16.581 7.961 -26.317 475 HA TYR 63 HA TYR 63 16.080 9.758 -24.179 476 HB2 TYR 63 2HB TYR 63 18.183 9.853 -26.359 477 HB3 TYR 63 3HB TYR 63 18.162 10.917 -24.959 478 HD1 TYR 63 HD1 TYR 63 17.764 9.384 -22.662 479 HD2 TYR 63 HD2 TYR 63 19.795 8.202 -26.215 480 HE1 TYR 63 HE1 TYR 63 19.059 7.741 -21.373 481 HE2 TYR 63 HE2 TYR 63 21.093 6.554 -24.932 482 HH TYR 63 HH TYR 63 21.735 5.992 -22.763 483 H ALA 64 H ALA 64 15.730 10.044 -27.678 484 HA ALA 64 HA ALA 64 15.556 12.817 -27.933 485 HB1 ALA 64 3HB ALA 64 15.795 11.297 -29.828 486 HB2 ALA 64 1HB ALA 64 14.437 12.399 -30.058 487 HB3 ALA 64 2HB ALA 64 14.144 10.724 -29.585 488 H GLN 65 H GLN 65 12.781 10.527 -27.727 489 HA GLN 65 HA GLN 65 10.831 12.567 -27.500 490 HB2 GLN 65 2HB GLN 65 10.548 10.035 -28.052 491 HB3 GLN 65 3HB GLN 65 10.469 9.816 -26.312 492 HG2 GLN 65 2HG GLN 65 8.656 11.740 -27.741 493 HG3 GLN 65 3HG GLN 65 8.278 10.026 -27.624 494 HE21 GLN 65 1HE2 GLN 65 9.329 9.697 -24.962 495 HE22 GLN 65 2HE2 GLN 65 8.217 10.472 -23.894 496 H GLY 66 H GLY 66 12.803 10.868 -25.134 497 HA2 GLY 66 2HA GLY 66 11.632 11.865 -22.770 498 HA3 GLY 66 3HA GLY 66 13.308 11.365 -22.948 499 H ILE 67 H ILE 67 14.069 13.268 -24.926 500 HA ILE 67 HA ILE 67 14.860 15.473 -23.421 501 HB ILE 67 HB ILE 67 14.604 15.110 -26.410 502 HG12 ILE 67 2HG1 ILE 67 17.036 15.203 -24.600 503 HG13 ILE 67 3HG1 ILE 67 16.282 13.731 -25.203 504 HG21 ILE 67 1HG2 ILE 67 15.899 17.438 -24.989 505 HG22 ILE 67 2HG2 ILE 67 14.420 17.504 -25.946 506 HG23 ILE 67 3HG2 ILE 67 15.956 17.122 -26.722 507 HD11 ILE 67 3HD1 ILE 67 18.257 14.290 -26.483 508 HD12 ILE 67 1HD1 ILE 67 17.579 15.867 -26.878 509 HD13 ILE 67 2HD1 ILE 67 16.816 14.400 -27.493 510 H GLU 68 H GLU 68 12.087 15.103 -25.592 511 HA GLU 68 HA GLU 68 11.149 17.756 -25.513 512 HB2 GLU 68 2HB GLU 68 9.458 15.261 -25.813 513 HB3 GLU 68 3HB GLU 68 9.054 16.881 -26.368 514 HG2 GLU 68 2HG GLU 68 10.942 16.783 -27.951 515 HG3 GLU 68 3HG GLU 68 11.283 15.138 -27.421 516 H VAL 69 H VAL 69 10.019 14.924 -23.636 517 HA VAL 69 HA VAL 69 8.273 16.448 -21.992 518 HB VAL 69 HB VAL 69 7.986 14.466 -20.641 519 HG11 VAL 69 1HG1 VAL 69 6.856 14.512 -22.803 520 HG12 VAL 69 2HG1 VAL 69 7.303 12.865 -22.362 521 HG13 VAL 69 3HG1 VAL 69 8.251 13.744 -23.563 522 HG21 VAL 69 3HG2 VAL 69 10.317 13.770 -20.427 523 HG22 VAL 69 1HG2 VAL 69 10.349 13.306 -22.129 524 HG23 VAL 69 2HG2 VAL 69 9.316 12.434 -20.996 525 H ALA 70 H ALA 70 11.667 15.695 -21.748 526 HA ALA 70 HA ALA 70 11.996 16.169 -18.969 527 HB1 ALA 70 3HB ALA 70 13.644 14.941 -20.313 528 HB2 ALA 70 1HB ALA 70 14.379 16.286 -19.440 529 HB3 ALA 70 2HB ALA 70 14.050 16.430 -21.166 530 H ARG 71 H ARG 71 12.597 18.295 -21.793 531 HA ARG 71 HA ARG 71 13.426 20.506 -20.211 532 HB2 ARG 71 2HB ARG 71 13.212 21.832 -22.281 533 HB3 ARG 71 3HB ARG 71 14.115 20.343 -22.520 534 HG2 ARG 71 2HG ARG 71 12.170 19.301 -23.551 535 HG3 ARG 71 3HG ARG 71 11.221 20.762 -23.266 536 HD2 ARG 71 2HD ARG 71 12.042 20.617 -25.583 537 HD3 ARG 71 3HD ARG 71 12.670 22.032 -24.738 538 HE ARG 71 HE ARG 71 14.471 19.855 -24.541 539 HH11 ARG 71 1HH1 ARG 71 13.336 22.215 -26.780 540 HH12 ARG 71 2HH1 ARG 71 14.820 22.243 -27.668 541 HH21 ARG 71 1HH2 ARG 71 16.377 19.907 -25.689 542 HH22 ARG 71 2HH2 ARG 71 16.518 20.952 -27.057 543 H GLU 72 H GLU 72 10.274 19.551 -21.485 544 HA GLU 72 HA GLU 72 9.066 22.073 -20.683 545 HB2 GLU 72 2HB GLU 72 7.915 19.609 -22.004 546 HB3 GLU 72 3HB GLU 72 6.976 21.051 -21.625 547 HG2 GLU 72 2HG GLU 72 8.359 22.389 -23.091 548 HG3 GLU 72 3HG GLU 72 9.415 21.013 -23.402 549 H GLU 73 H GLU 73 8.627 18.627 -19.771 550 HA GLU 73 HA GLU 73 6.882 19.455 -17.579 551 HB2 GLU 73 2HB GLU 73 7.679 16.657 -18.410 552 HB3 GLU 73 3HB GLU 73 6.402 17.088 -17.280 553 HG2 GLU 73 2HG GLU 73 6.469 17.622 -20.244 554 HG3 GLU 73 3HG GLU 73 5.429 16.488 -19.385 555 H GLY 74 H GLY 74 9.884 17.530 -17.940 556 HA2 GLY 74 2HA GLY 74 10.223 17.133 -15.135 557 HA3 GLY 74 3HA GLY 74 11.427 16.829 -16.375 558 H THR 75 H THR 75 12.984 18.370 -16.817 559 HA THR 75 HA THR 75 12.983 21.036 -15.903 560 HB THR 75 HB THR 75 13.185 20.103 -13.653 561 HG1 THR 75 HG1 THR 75 15.048 21.244 -13.060 562 HG21 THR 75 3HG2 THR 75 14.191 17.940 -14.234 563 HG22 THR 75 1HG2 THR 75 15.127 18.770 -12.988 564 HG23 THR 75 2HG2 THR 75 15.699 18.753 -14.657 565 H GLN 76 H GLN 76 15.252 22.006 -15.964 566 HA GLN 76 HA GLN 76 16.363 21.458 -18.498 567 HB2 GLN 76 2HB GLN 76 16.412 23.681 -17.475 568 HB3 GLN 76 3HB GLN 76 17.485 23.094 -16.212 569 HG2 GLN 76 2HG GLN 76 19.192 22.610 -17.940 570 HG3 GLN 76 3HG GLN 76 18.120 23.310 -19.153 571 HE21 GLN 76 1HE2 GLN 76 17.799 25.538 -19.172 572 HE22 GLN 76 2HE2 GLN 76 18.832 26.621 -18.308 573 H LYS 77 H LYS 77 17.332 20.404 -15.262 574 HA LYS 77 HA LYS 77 19.935 19.534 -15.956 575 HB2 LYS 77 2HB LYS 77 19.300 19.875 -13.627 576 HB3 LYS 77 3HB LYS 77 18.125 18.568 -13.729 577 HG2 LYS 77 2HG LYS 77 19.877 16.938 -14.015 578 HG3 LYS 77 3HG LYS 77 21.097 18.208 -14.119 579 HD2 LYS 77 2HD LYS 77 20.621 18.851 -11.794 580 HD3 LYS 77 3HD LYS 77 19.402 17.576 -11.692 581 HE2 LYS 77 2HE LYS 77 21.526 16.884 -10.674 582 HE3 LYS 77 3HE LYS 77 21.120 15.884 -12.067 583 HZ1 LYS 77 3HZ LYS 77 22.640 17.284 -13.397 584 HZ2 LYS 77 1HZ LYS 77 23.430 16.448 -12.159 585 HZ3 LYS 77 2HZ LYS 77 23.097 18.096 -11.989 586 H ASP 78 H ASP 78 16.904 17.629 -15.621 587 HA ASP 78 HA ASP 78 17.975 15.204 -16.557 588 HB2 ASP 78 2HB ASP 78 15.145 16.271 -16.577 589 HB3 ASP 78 3HB ASP 78 15.555 14.642 -17.113 590 H LEU 79 H LEU 79 16.530 17.922 -18.305 591 HA LEU 79 HA LEU 79 16.571 16.947 -20.905 592 HB2 LEU 79 2HB LEU 79 15.665 19.124 -20.395 593 HB3 LEU 79 3HB LEU 79 17.226 19.697 -19.837 594 HG LEU 79 HG LEU 79 18.082 19.439 -22.188 595 HD11 LEU 79 1HD1 LEU 79 16.440 17.812 -22.971 596 HD12 LEU 79 2HD1 LEU 79 16.480 19.241 -24.001 597 HD13 LEU 79 3HD1 LEU 79 15.167 19.028 -22.843 598 HD21 LEU 79 3HD2 LEU 79 15.754 21.325 -21.786 599 HD22 LEU 79 1HD2 LEU 79 16.998 21.473 -23.029 600 HD23 LEU 79 2HD2 LEU 79 17.432 21.619 -21.327 601 H SER 80 H SER 80 19.193 18.604 -19.160 602 HA SER 80 HA SER 80 21.165 18.313 -21.153 603 HB2 SER 80 2HB SER 80 21.537 18.620 -18.158 604 HB3 SER 80 3HB SER 80 22.771 18.910 -19.385 605 HG SER 80 HG SER 80 20.597 20.462 -18.634 606 H GLU 81 H GLU 81 20.147 16.165 -18.551 607 HA GLU 81 HA GLU 81 22.282 14.319 -18.685 608 HB2 GLU 81 2HB GLU 81 19.382 13.855 -17.944 609 HB3 GLU 81 3HB GLU 81 20.686 12.714 -17.651 610 HG2 GLU 81 2HG GLU 81 20.500 15.482 -16.473 611 HG3 GLU 81 3HG GLU 81 20.050 13.991 -15.651 612 H LEU 82 H LEU 82 19.089 14.278 -20.274 613 HA LEU 82 HA LEU 82 19.524 11.851 -21.678 614 HB2 LEU 82 2HB LEU 82 17.554 14.075 -22.236 615 HB3 LEU 82 3HB LEU 82 17.490 12.466 -22.936 616 HG LEU 82 HG LEU 82 17.242 13.078 -19.982 617 HD11 LEU 82 1HD1 LEU 82 15.113 12.311 -21.977 618 HD12 LEU 82 2HD1 LEU 82 15.312 13.893 -21.225 619 HD13 LEU 82 3HD1 LEU 82 14.891 12.496 -20.236 620 HD21 LEU 82 3HD2 LEU 82 16.561 10.732 -19.786 621 HD22 LEU 82 1HD2 LEU 82 18.208 10.884 -20.398 622 HD23 LEU 82 2HD2 LEU 82 16.889 10.493 -21.502 623 H GLN 83 H GLN 83 19.740 15.261 -22.744 624 HA GLN 83 HA GLN 83 20.424 14.737 -25.422 625 HB2 GLN 83 2HB GLN 83 21.183 17.098 -23.681 626 HB3 GLN 83 3HB GLN 83 21.402 17.035 -25.427 627 HG2 GLN 83 2HG GLN 83 18.949 16.722 -25.668 628 HG3 GLN 83 3HG GLN 83 18.789 16.943 -23.928 629 HE21 GLN 83 1HE2 GLN 83 20.882 19.002 -23.839 630 HE22 GLN 83 2HE2 GLN 83 20.175 20.417 -24.524 631 H ASP 84 H ASP 84 22.450 14.991 -22.533 632 HA ASP 84 HA ASP 84 24.943 14.646 -23.884 633 HB2 ASP 84 2HB ASP 84 24.824 15.672 -21.669 634 HB3 ASP 84 3HB ASP 84 24.169 14.187 -20.990 635 H ALA 85 H ALA 85 22.591 12.448 -22.465 636 HA ALA 85 HA ALA 85 24.134 10.098 -22.436 637 HB1 ALA 85 3HB ALA 85 22.016 10.348 -21.226 638 HB2 ALA 85 1HB ALA 85 22.026 8.904 -22.240 639 HB3 ALA 85 2HB ALA 85 21.143 10.341 -22.758 640 H LYS 86 H LYS 86 21.958 11.382 -24.968 641 HA LYS 86 HA LYS 86 22.594 9.280 -26.821 642 HB2 LYS 86 2HB LYS 86 21.454 10.681 -28.511 643 HB3 LYS 86 3HB LYS 86 20.482 10.460 -27.063 644 HG2 LYS 86 2HG LYS 86 20.993 12.683 -26.308 645 HG3 LYS 86 3HG LYS 86 22.146 12.910 -27.622 646 HD2 LYS 86 2HD LYS 86 19.171 12.477 -27.980 647 HD3 LYS 86 3HD LYS 86 19.983 14.043 -28.036 648 HE2 LYS 86 2HE LYS 86 21.361 13.188 -29.932 649 HE3 LYS 86 3HE LYS 86 20.388 11.717 -29.920 650 HZ1 LYS 86 3HZ LYS 86 18.442 13.009 -30.440 651 HZ2 LYS 86 1HZ LYS 86 19.646 13.347 -31.576 652 HZ3 LYS 86 2HZ LYS 86 19.317 14.453 -30.343 653 H LEU 87 H LEU 87 23.885 12.495 -26.166 654 HA LEU 87 HA LEU 87 25.453 12.914 -28.425 655 HB2 LEU 87 2HB LEU 87 25.064 14.605 -26.703 656 HB3 LEU 87 3HB LEU 87 26.026 13.686 -25.562 657 HG LEU 87 HG LEU 87 28.035 14.065 -26.961 658 HD11 LEU 87 1HD1 LEU 87 27.955 15.700 -28.779 659 HD12 LEU 87 2HD1 LEU 87 26.201 15.798 -28.618 660 HD13 LEU 87 3HD1 LEU 87 26.957 14.289 -29.130 661 HD21 LEU 87 3HD2 LEU 87 26.558 16.583 -26.181 662 HD22 LEU 87 1HD2 LEU 87 28.296 16.449 -26.452 663 HD23 LEU 87 2HD2 LEU 87 27.544 15.582 -25.114 664 H LYS 88 H LYS 88 26.429 11.321 -25.372 665 HA LYS 88 HA LYS 88 29.011 10.560 -26.235 666 HB2 LYS 88 2HB LYS 88 28.944 8.930 -24.364 667 HB3 LYS 88 3HB LYS 88 28.447 10.547 -23.878 668 HG2 LYS 88 2HG LYS 88 26.149 9.917 -23.831 669 HG3 LYS 88 3HG LYS 88 26.501 8.361 -24.585 670 HD2 LYS 88 2HD LYS 88 27.795 7.703 -22.596 671 HD3 LYS 88 3HD LYS 88 27.408 9.256 -21.845 672 HE2 LYS 88 2HE LYS 88 25.961 7.330 -21.120 673 HE3 LYS 88 3HE LYS 88 25.088 8.725 -21.751 674 HZ1 LYS 88 3HZ LYS 88 24.262 6.573 -22.597 675 HZ2 LYS 88 1HZ LYS 88 25.752 6.312 -23.347 676 HZ3 LYS 88 2HZ LYS 88 24.779 7.608 -23.828 677 H ALA 89 H ALA 89 25.868 8.962 -26.524 678 HA ALA 89 HA ALA 89 26.721 6.423 -27.344 679 HB1 ALA 89 3HB ALA 89 24.195 7.880 -28.134 680 HB2 ALA 89 1HB ALA 89 24.419 6.910 -26.678 681 HB3 ALA 89 2HB ALA 89 24.474 6.142 -28.265 682 H GLU 90 H GLU 90 25.774 9.223 -29.358 683 HA GLU 90 HA GLU 90 26.535 8.053 -31.830 684 HB2 GLU 90 2HB GLU 90 26.365 10.997 -31.128 685 HB3 GLU 90 3HB GLU 90 26.381 10.316 -32.750 686 HG2 GLU 90 2HG GLU 90 24.247 9.166 -32.247 687 HG3 GLU 90 3HG GLU 90 24.223 9.965 -30.675 688 H GLY 91 H GLY 91 28.299 9.774 -29.354 689 HA2 GLY 91 2HA GLY 91 30.645 10.399 -30.802 690 HA3 GLY 91 3HA GLY 91 30.539 10.191 -29.061 691 H LEU 92 H LEU 92 29.729 7.494 -28.973 692 HA LEU 92 HA LEU 92 32.127 6.064 -29.189 693 HB2 LEU 92 2HB LEU 92 29.300 4.980 -29.215 694 HB3 LEU 92 3HB LEU 92 30.744 4.045 -28.874 695 HG LEU 92 HG LEU 92 29.671 6.313 -27.183 696 HD11 LEU 92 1HD1 LEU 92 29.703 3.335 -26.707 697 HD12 LEU 92 2HD1 LEU 92 28.284 4.332 -27.026 698 HD13 LEU 92 3HD1 LEU 92 29.201 4.557 -25.537 699 HD21 LEU 92 3HD2 LEU 92 32.101 6.222 -27.074 700 HD22 LEU 92 1HD2 LEU 92 32.041 4.493 -26.730 701 HD23 LEU 92 2HD2 LEU 92 31.395 5.649 -25.564 702 H GLU 93 H GLU 93 29.229 5.758 -31.245 703 HA GLU 93 HA GLU 93 30.516 6.048 -33.695 704 HB2 GLU 93 2HB GLU 93 30.613 3.823 -34.617 705 HB3 GLU 93 3HB GLU 93 31.566 3.845 -33.142 706 HG2 GLU 93 2HG GLU 93 29.950 2.612 -31.951 707 HG3 GLU 93 3HG GLU 93 28.718 2.880 -33.184 708 H HIS 94 H HIS 94 28.954 4.521 -35.406 709 HA HIS 94 HA HIS 94 26.183 5.137 -34.586 710 HB2 HIS 94 2HB HIS 94 27.523 5.792 -37.214 711 HB3 HIS 94 3HB HIS 94 25.779 5.834 -36.985 712 HD1 HIS 94 HD1 HIS 94 28.910 7.698 -36.164 713 HD2 HIS 94 HD2 HIS 94 24.826 7.993 -35.458 714 HE1 HIS 94 HE1 HIS 94 28.552 10.009 -35.266 715 HE2 HIS 94 HE2 HIS 94 26.054 10.233 -35.072 716 H HIS 95 H HIS 95 28.214 2.673 -35.566 717 HA HIS 95 HA HIS 95 28.035 0.716 -36.726 718 HB2 HIS 95 2HB HIS 95 25.129 0.986 -35.900 719 HB3 HIS 95 3HB HIS 95 25.843 -0.476 -36.565 720 HD1 HIS 95 HD1 HIS 95 28.458 -0.530 -34.878 721 HD2 HIS 95 HD2 HIS 95 24.671 0.203 -33.336 722 HE1 HIS 95 HE1 HIS 95 28.568 -1.208 -32.466 723 HE2 HIS 95 HE2 HIS 95 26.213 -0.972 -31.631 724 H HIS 96 H HIS 96 28.530 1.238 -38.845 725 HA HIS 96 HA HIS 96 26.979 3.068 -40.324 726 HB2 HIS 96 2HB HIS 96 28.536 2.745 -42.135 727 HB3 HIS 96 3HB HIS 96 29.402 2.799 -40.607 728 HD1 HIS 96 HD1 HIS 96 28.429 0.435 -43.360 729 HD2 HIS 96 HD2 HIS 96 30.833 0.512 -39.972 730 HE1 HIS 96 HE1 HIS 96 29.839 -1.638 -43.488 731 HE2 HIS 96 HE2 HIS 96 31.443 -1.428 -41.565 732 H HIS 97 H HIS 97 25.952 -0.014 -39.787 733 HA HIS 97 HA HIS 97 24.789 -0.491 -42.379 734 HB2 HIS 97 2HB HIS 97 23.378 -2.148 -41.298 735 HB3 HIS 97 3HB HIS 97 25.021 -2.316 -40.699 736 HD1 HIS 97 HD1 HIS 97 25.262 -2.417 -38.230 737 HD2 HIS 97 HD2 HIS 97 21.622 -0.764 -39.359 738 HE1 HIS 97 HE1 HIS 97 23.963 -2.130 -36.100 739 HE2 HIS 97 HE2 HIS 97 21.826 -0.998 -36.792 740 H HIS 98 H HIS 98 24.146 1.551 -39.722 741 HA HIS 98 HA HIS 98 21.730 2.609 -41.040 742 HB2 HIS 98 2HB HIS 98 20.894 1.626 -39.059 743 HB3 HIS 98 3HB HIS 98 22.280 2.145 -38.108 744 HD1 HIS 98 HD1 HIS 98 19.366 3.779 -39.947 745 HD2 HIS 98 HD2 HIS 98 21.766 4.333 -36.605 746 HE1 HIS 98 HE1 HIS 98 18.454 5.807 -38.794 747 HE2 HIS 98 HE2 HIS 98 19.757 5.953 -36.653 748 H HIS 99 H HIS 99 22.616 4.334 -42.091 749 HA HIS 99 HA HIS 99 24.512 6.061 -40.653 750 HB2 HIS 99 2HB HIS 99 25.119 5.225 -42.916 751 HB3 HIS 99 3HB HIS 99 23.753 6.106 -43.585 752 HD1 HIS 99 HD1 HIS 99 23.906 8.784 -43.395 753 HD2 HIS 99 HD2 HIS 99 27.405 6.690 -42.587 754 HE1 HIS 99 HE1 HIS 99 25.755 10.480 -43.523 755 HE2 HIS 99 HE2 HIS 99 27.865 9.187 -43.070 Start of MODEL 10 1 H1 GLU 1 1H GLU 1 3.895 -3.081 -1.644 2 H2 GLU 1 2H GLU 1 2.291 -3.094 -1.104 3 H3 GLU 1 3H GLU 1 3.359 -1.920 -0.534 4 HA GLU 1 HA GLU 1 1.860 -0.986 -2.155 5 HB2 GLU 1 2HB GLU 1 4.762 -1.228 -2.968 6 HB3 GLU 1 3HB GLU 1 3.637 -0.171 -3.808 7 HG2 GLU 1 2HG GLU 1 4.928 1.095 -2.216 8 HG3 GLU 1 3HG GLU 1 3.238 1.055 -1.720 9 H ASP 2 H ASP 2 1.391 -0.767 -4.504 10 HA ASP 2 HA ASP 2 0.962 -3.432 -5.652 11 HB2 ASP 2 2HB ASP 2 -0.235 -0.764 -6.454 12 HB3 ASP 2 3HB ASP 2 -0.735 -2.347 -7.041 13 HA PRO 3 HA PRO 3 3.860 -2.800 -9.068 14 HB2 PRO 3 2HB PRO 3 1.826 -4.242 -10.701 15 HB3 PRO 3 3HB PRO 3 3.535 -4.614 -10.444 16 HG2 PRO 3 2HG PRO 3 1.625 -6.076 -9.279 17 HG3 PRO 3 3HG PRO 3 3.133 -5.692 -8.426 18 HD2 PRO 3 2HD PRO 3 0.415 -4.454 -8.125 19 HD3 PRO 3 3HD PRO 3 1.602 -4.883 -6.874 20 H GLU 4 H GLU 4 0.685 -1.629 -8.871 21 HA GLU 4 HA GLU 4 0.602 -0.245 -11.396 22 HB2 GLU 4 2HB GLU 4 -1.108 0.062 -8.918 23 HB3 GLU 4 3HB GLU 4 -1.452 0.771 -10.490 24 HG2 GLU 4 2HG GLU 4 -1.662 -1.468 -11.456 25 HG3 GLU 4 3HG GLU 4 -1.315 -2.178 -9.880 26 H ASP 5 H ASP 5 1.693 0.467 -8.145 27 HA ASP 5 HA ASP 5 1.675 3.283 -8.242 28 HB2 ASP 5 2HB ASP 5 1.956 2.055 -6.148 29 HB3 ASP 5 3HB ASP 5 3.490 1.403 -6.708 30 HA PRO 6 HA PRO 6 4.519 4.115 -11.616 31 HB2 PRO 6 2HB PRO 6 5.037 6.480 -9.847 32 HB3 PRO 6 3HB PRO 6 4.770 6.419 -11.594 33 HG2 PRO 6 2HG PRO 6 2.826 7.141 -9.889 34 HG3 PRO 6 3HG PRO 6 2.479 6.237 -11.372 35 HD2 PRO 6 2HD PRO 6 2.383 5.345 -8.561 36 HD3 PRO 6 3HD PRO 6 1.582 4.661 -9.987 37 H PHE 7 H PHE 7 5.781 5.123 -8.412 38 HA PHE 7 HA PHE 7 8.489 4.685 -9.132 39 HB2 PHE 7 2HB PHE 7 7.826 6.263 -7.363 40 HB3 PHE 7 3HB PHE 7 7.263 4.922 -6.371 41 HD1 PHE 7 HD2 PHE 7 10.312 6.254 -8.050 42 HD2 PHE 7 HD1 PHE 7 8.738 3.876 -4.881 43 HE1 PHE 7 HE2 PHE 7 12.571 6.022 -7.099 44 HE2 PHE 7 HE1 PHE 7 10.993 3.645 -3.932 45 HZ PHE 7 HZ PHE 7 12.914 4.719 -5.038 46 H THR 8 H THR 8 6.059 2.629 -7.635 47 HA THR 8 HA THR 8 7.856 0.629 -6.675 48 HB THR 8 HB THR 8 4.918 0.380 -7.380 49 HG1 THR 8 HG1 THR 8 5.540 1.834 -5.617 50 HG21 THR 8 3HG2 THR 8 6.686 -1.498 -5.796 51 HG22 THR 8 1HG2 THR 8 5.983 -1.828 -7.379 52 HG23 THR 8 2HG2 THR 8 4.937 -1.639 -5.971 53 H ARG 9 H ARG 9 5.744 0.628 -9.580 54 HA ARG 9 HA ARG 9 6.792 -1.719 -10.727 55 HB2 ARG 9 2HB ARG 9 5.870 -0.776 -12.895 56 HB3 ARG 9 3HB ARG 9 4.727 -0.909 -11.566 57 HG2 ARG 9 2HG ARG 9 5.291 1.561 -11.100 58 HG3 ARG 9 3HG ARG 9 5.983 1.558 -12.721 59 HD2 ARG 9 2HD ARG 9 3.158 0.676 -12.125 60 HD3 ARG 9 3HD ARG 9 3.583 2.336 -12.535 61 HE ARG 9 HE ARG 9 4.236 1.573 -14.703 62 HH11 ARG 9 1HH1 ARG 9 2.605 -0.802 -12.816 63 HH12 ARG 9 2HH1 ARG 9 2.074 -1.683 -14.205 64 HH21 ARG 9 1HH2 ARG 9 3.552 0.436 -16.459 65 HH22 ARG 9 2HH2 ARG 9 2.634 -1.012 -16.242 66 H TYR 10 H TYR 10 7.861 1.630 -10.939 67 HA TYR 10 HA TYR 10 9.977 1.268 -12.777 68 HB2 TYR 10 2HB TYR 10 9.343 3.493 -12.355 69 HB3 TYR 10 3HB TYR 10 9.372 3.270 -10.612 70 HD1 TYR 10 HD1 TYR 10 11.652 3.391 -13.578 71 HD2 TYR 10 HD2 TYR 10 11.198 3.988 -9.387 72 HE1 TYR 10 HE1 TYR 10 13.901 4.384 -13.476 73 HE2 TYR 10 HE2 TYR 10 13.439 4.977 -9.274 74 HH TYR 10 HH TYR 10 15.517 4.954 -10.516 75 H ALA 11 H ALA 11 9.855 0.994 -9.230 76 HA ALA 11 HA ALA 11 12.610 0.514 -8.824 77 HB1 ALA 11 3HB ALA 11 11.118 1.232 -7.032 78 HB2 ALA 11 1HB ALA 11 11.961 -0.256 -6.596 79 HB3 ALA 11 2HB ALA 11 10.272 -0.314 -7.103 80 H LEU 12 H LEU 12 9.870 -1.766 -9.121 81 HA LEU 12 HA LEU 12 11.312 -4.141 -8.821 82 HB2 LEU 12 2HB LEU 12 8.738 -3.431 -10.172 83 HB3 LEU 12 3HB LEU 12 9.416 -5.019 -10.465 84 HG LEU 12 HG LEU 12 7.735 -5.076 -8.681 85 HD11 LEU 12 1HD1 LEU 12 9.049 -6.245 -6.986 86 HD12 LEU 12 2HD1 LEU 12 10.533 -5.572 -7.660 87 HD13 LEU 12 3HD1 LEU 12 9.559 -6.693 -8.613 88 HD21 LEU 12 3HD2 LEU 12 8.142 -3.993 -6.530 89 HD22 LEU 12 1HD2 LEU 12 8.003 -2.805 -7.824 90 HD23 LEU 12 2HD2 LEU 12 9.591 -3.225 -7.181 91 H ALA 13 H ALA 13 10.833 -2.143 -11.709 92 HA ALA 13 HA ALA 13 12.044 -3.797 -13.609 93 HB1 ALA 13 3HB ALA 13 12.495 -1.757 -14.874 94 HB2 ALA 13 1HB ALA 13 12.167 -0.782 -13.440 95 HB3 ALA 13 2HB ALA 13 10.874 -1.724 -14.182 96 H GLN 14 H GLN 14 13.532 -1.399 -11.423 97 HA GLN 14 HA GLN 14 16.203 -1.911 -12.239 98 HB2 GLN 14 2HB GLN 14 15.114 -0.705 -9.688 99 HB3 GLN 14 3HB GLN 14 16.827 -0.767 -10.089 100 HG2 GLN 14 2HG GLN 14 16.306 0.533 -12.165 101 HG3 GLN 14 3HG GLN 14 14.659 0.718 -11.566 102 HE21 GLN 14 1HE2 GLN 14 17.998 1.561 -11.055 103 HE22 GLN 14 2HE2 GLN 14 17.706 2.886 -9.988 104 H GLU 15 H GLU 15 14.179 -3.304 -9.681 105 HA GLU 15 HA GLU 15 16.088 -4.915 -8.426 106 HB2 GLU 15 2HB GLU 15 13.127 -5.301 -8.862 107 HB3 GLU 15 3HB GLU 15 14.088 -6.459 -7.953 108 HG2 GLU 15 2HG GLU 15 13.783 -3.536 -7.281 109 HG3 GLU 15 3HG GLU 15 12.907 -4.860 -6.513 110 H HIS 16 H HIS 16 14.209 -5.509 -11.373 111 HA HIS 16 HA HIS 16 15.173 -8.131 -11.838 112 HB2 HIS 16 2HB HIS 16 14.114 -6.044 -13.754 113 HB3 HIS 16 3HB HIS 16 14.520 -7.687 -14.239 114 HD1 HIS 16 HD1 HIS 16 13.215 -9.502 -12.408 115 HD2 HIS 16 HD2 HIS 16 11.453 -5.853 -13.324 116 HE1 HIS 16 HE1 HIS 16 10.781 -9.787 -11.896 117 HE2 HIS 16 HE2 HIS 16 9.789 -7.505 -12.222 118 H LEU 17 H LEU 17 16.343 -4.954 -12.974 119 HA LEU 17 HA LEU 17 18.550 -5.794 -14.471 120 HB2 LEU 17 2HB LEU 17 18.253 -3.329 -12.741 121 HB3 LEU 17 3HB LEU 17 19.538 -3.567 -13.910 122 HG LEU 17 HG LEU 17 16.591 -3.404 -14.571 123 HD11 LEU 17 1HD1 LEU 17 17.130 -1.238 -15.562 124 HD12 LEU 17 2HD1 LEU 17 18.798 -1.389 -15.003 125 HD13 LEU 17 3HD1 LEU 17 17.484 -1.254 -13.834 126 HD21 LEU 17 3HD2 LEU 17 17.789 -4.832 -16.133 127 HD22 LEU 17 1HD2 LEU 17 19.017 -3.586 -16.363 128 HD23 LEU 17 2HD2 LEU 17 17.362 -3.304 -16.903 129 H LYS 18 H LYS 18 18.288 -5.191 -10.990 130 HA LYS 18 HA LYS 18 20.923 -5.611 -10.197 131 HB2 LYS 18 2HB LYS 18 18.328 -6.235 -8.779 132 HB3 LYS 18 3HB LYS 18 19.903 -6.344 -8.003 133 HG2 LYS 18 2HG LYS 18 20.278 -3.977 -8.346 134 HG3 LYS 18 3HG LYS 18 18.754 -3.838 -9.225 135 HD2 LYS 18 2HD LYS 18 17.494 -4.374 -7.248 136 HD3 LYS 18 3HD LYS 18 18.967 -4.753 -6.354 137 HE2 LYS 18 2HE LYS 18 18.291 -2.027 -7.464 138 HE3 LYS 18 3HE LYS 18 18.000 -2.532 -5.800 139 HZ1 LYS 18 3HZ LYS 18 20.376 -2.890 -5.532 140 HZ2 LYS 18 1HZ LYS 18 20.059 -1.294 -5.997 141 HZ3 LYS 18 2HZ LYS 18 20.655 -2.398 -7.127 142 H HIS 19 H HIS 19 18.356 -7.997 -10.769 143 HA HIS 19 HA HIS 19 20.224 -10.190 -10.213 144 HB2 HIS 19 2HB HIS 19 17.253 -10.175 -10.786 145 HB3 HIS 19 3HB HIS 19 18.199 -11.638 -10.525 146 HD1 HIS 19 HD1 HIS 19 18.972 -12.146 -8.118 147 HD2 HIS 19 HD2 HIS 19 16.738 -8.657 -8.457 148 HE1 HIS 19 HE1 HIS 19 18.381 -11.496 -5.771 149 HE2 HIS 19 HE2 HIS 19 17.202 -9.288 -5.990 150 H ASP 20 H ASP 20 20.010 -8.304 -12.673 151 HA ASP 20 HA ASP 20 20.888 -8.412 -14.744 152 HB2 ASP 20 2HB ASP 20 22.241 -10.326 -13.764 153 HB3 ASP 20 3HB ASP 20 21.073 -11.418 -14.502 154 H ASN 21 H ASN 21 17.929 -9.516 -13.946 155 HA ASN 21 HA ASN 21 17.090 -10.641 -16.458 156 HB2 ASN 21 2HB ASN 21 15.408 -9.479 -14.222 157 HB3 ASN 21 3HB ASN 21 14.812 -10.461 -15.558 158 HD21 ASN 21 1HD2 ASN 21 15.419 -12.666 -15.644 159 HD22 ASN 21 2HD2 ASN 21 15.909 -13.501 -14.215 160 H ALA 22 H ALA 22 18.162 -8.826 -17.677 161 HA ALA 22 HA ALA 22 17.141 -6.186 -17.650 162 HB1 ALA 22 3HB ALA 22 18.602 -7.650 -19.850 163 HB2 ALA 22 1HB ALA 22 19.347 -6.730 -18.543 164 HB3 ALA 22 2HB ALA 22 18.368 -5.904 -19.756 165 H SER 23 H SER 23 16.307 -9.057 -19.525 166 HA SER 23 HA SER 23 14.586 -7.926 -21.419 167 HB2 SER 23 2HB SER 23 13.587 -10.175 -21.595 168 HB3 SER 23 3HB SER 23 15.348 -10.269 -21.511 169 HG SER 23 HG SER 23 14.037 -11.737 -20.111 170 H ARG 24 H ARG 24 13.725 -9.403 -18.287 171 HA ARG 24 HA ARG 24 10.994 -8.734 -18.327 172 HB2 ARG 24 2HB ARG 24 12.798 -9.159 -15.928 173 HB3 ARG 24 3HB ARG 24 11.041 -9.163 -15.890 174 HG2 ARG 24 2HG ARG 24 12.795 -11.126 -17.359 175 HG3 ARG 24 3HG ARG 24 11.897 -11.428 -15.870 176 HD2 ARG 24 2HD ARG 24 9.787 -11.007 -17.088 177 HD3 ARG 24 3HD ARG 24 10.710 -10.776 -18.574 178 HE ARG 24 HE ARG 24 11.312 -13.280 -17.409 179 HH11 ARG 24 1HH1 ARG 24 8.873 -11.657 -19.235 180 HH12 ARG 24 2HH1 ARG 24 8.242 -13.127 -19.888 181 HH21 ARG 24 1HH2 ARG 24 10.503 -15.144 -18.274 182 HH22 ARG 24 2HH2 ARG 24 9.148 -15.080 -19.346 183 H ALA 25 H ALA 25 13.790 -6.952 -17.052 184 HA ALA 25 HA ALA 25 12.378 -4.791 -15.904 185 HB1 ALA 25 3HB ALA 25 15.141 -4.801 -17.126 186 HB2 ALA 25 1HB ALA 25 14.749 -5.222 -15.459 187 HB3 ALA 25 2HB ALA 25 14.496 -3.574 -16.035 188 H LEU 26 H LEU 26 13.631 -5.322 -19.165 189 HA LEU 26 HA LEU 26 13.105 -2.822 -20.289 190 HB2 LEU 26 2HB LEU 26 14.469 -4.598 -21.340 191 HB3 LEU 26 3HB LEU 26 13.013 -5.528 -21.633 192 HG LEU 26 HG LEU 26 12.188 -3.780 -23.160 193 HD11 LEU 26 1HD1 LEU 26 13.254 -1.836 -22.150 194 HD12 LEU 26 2HD1 LEU 26 13.660 -1.955 -23.862 195 HD13 LEU 26 3HD1 LEU 26 14.841 -2.432 -22.640 196 HD21 LEU 26 3HD2 LEU 26 13.529 -5.651 -24.024 197 HD22 LEU 26 1HD2 LEU 26 14.990 -4.683 -23.827 198 HD23 LEU 26 2HD2 LEU 26 13.746 -4.182 -24.975 199 H ALA 27 H ALA 27 11.030 -5.714 -20.135 200 HA ALA 27 HA ALA 27 8.816 -4.754 -21.533 201 HB1 ALA 27 3HB ALA 27 7.512 -6.433 -20.330 202 HB2 ALA 27 1HB ALA 27 8.807 -6.611 -19.145 203 HB3 ALA 27 2HB ALA 27 9.072 -7.090 -20.821 204 H LEU 28 H LEU 28 9.616 -4.377 -18.084 205 HA LEU 28 HA LEU 28 7.251 -2.974 -17.380 206 HB2 LEU 28 2HB LEU 28 9.973 -2.977 -16.065 207 HB3 LEU 28 3HB LEU 28 8.525 -2.280 -15.359 208 HG LEU 28 HG LEU 28 8.980 -5.208 -15.981 209 HD11 LEU 28 1HD1 LEU 28 8.865 -5.490 -13.550 210 HD12 LEU 28 2HD1 LEU 28 8.726 -3.741 -13.352 211 HD13 LEU 28 3HD1 LEU 28 10.201 -4.441 -14.022 212 HD21 LEU 28 3HD2 LEU 28 6.807 -5.586 -14.897 213 HD22 LEU 28 1HD2 LEU 28 6.647 -4.625 -16.366 214 HD23 LEU 28 2HD2 LEU 28 6.561 -3.842 -14.788 215 H PHE 29 H PHE 29 10.541 -1.755 -18.150 216 HA PHE 29 HA PHE 29 9.950 0.978 -17.941 217 HB2 PHE 29 2HB PHE 29 12.006 -0.497 -19.591 218 HB3 PHE 29 3HB PHE 29 11.887 1.258 -19.604 219 HD1 PHE 29 HD2 PHE 29 11.777 2.312 -17.131 220 HD2 PHE 29 HD1 PHE 29 13.575 -1.415 -18.164 221 HE1 PHE 29 HE2 PHE 29 13.204 2.446 -15.132 222 HE2 PHE 29 HE1 PHE 29 15.004 -1.280 -16.167 223 HZ PHE 29 HZ PHE 29 14.822 0.651 -14.650 224 H GLU 30 H GLU 30 9.859 -1.109 -20.847 225 HA GLU 30 HA GLU 30 8.976 0.850 -22.646 226 HB2 GLU 30 2HB GLU 30 8.531 -2.140 -22.663 227 HB3 GLU 30 3HB GLU 30 8.095 -1.086 -23.998 228 HG2 GLU 30 2HG GLU 30 10.489 -0.382 -24.135 229 HG3 GLU 30 3HG GLU 30 10.862 -1.607 -22.923 230 H GLU 31 H GLU 31 7.124 -1.231 -20.443 231 HA GLU 31 HA GLU 31 4.565 -0.415 -21.359 232 HB2 GLU 31 2HB GLU 31 4.936 -2.431 -19.957 233 HB3 GLU 31 3HB GLU 31 5.315 -1.388 -18.592 234 HG2 GLU 31 2HG GLU 31 3.085 -0.526 -18.531 235 HG3 GLU 31 3HG GLU 31 2.678 -1.327 -20.048 236 H LEU 32 H LEU 32 6.740 0.875 -18.874 237 HA LEU 32 HA LEU 32 5.097 2.917 -17.882 238 HB2 LEU 32 2HB LEU 32 8.093 2.766 -18.228 239 HB3 LEU 32 3HB LEU 32 7.303 4.114 -17.432 240 HG LEU 32 HG LEU 32 7.051 1.249 -16.495 241 HD11 LEU 32 1HD1 LEU 32 8.652 1.831 -14.741 242 HD12 LEU 32 2HD1 LEU 32 8.894 3.416 -15.476 243 HD13 LEU 32 3HD1 LEU 32 9.385 1.958 -16.340 244 HD21 LEU 32 3HD2 LEU 32 6.405 3.871 -15.139 245 HD22 LEU 32 1HD2 LEU 32 6.206 2.260 -14.447 246 HD23 LEU 32 2HD2 LEU 32 5.226 2.755 -15.828 247 H VAL 33 H VAL 33 7.071 2.787 -20.807 248 HA VAL 33 HA VAL 33 6.816 5.527 -21.519 249 HB VAL 33 HB VAL 33 7.353 3.153 -23.322 250 HG11 VAL 33 1HG1 VAL 33 7.871 6.098 -23.781 251 HG12 VAL 33 2HG1 VAL 33 6.645 5.122 -24.589 252 HG13 VAL 33 3HG1 VAL 33 8.355 4.785 -24.857 253 HG21 VAL 33 3HG2 VAL 33 9.721 3.756 -23.065 254 HG22 VAL 33 1HG2 VAL 33 8.990 3.306 -21.524 255 HG23 VAL 33 2HG2 VAL 33 9.275 5.006 -21.903 256 H GLU 34 H GLU 34 4.831 2.675 -22.243 257 HA GLU 34 HA GLU 34 3.170 4.133 -24.116 258 HB2 GLU 34 2HB GLU 34 1.911 2.096 -24.370 259 HB3 GLU 34 3HB GLU 34 3.623 1.704 -24.380 260 HG2 GLU 34 2HG GLU 34 3.443 1.013 -22.013 261 HG3 GLU 34 3HG GLU 34 1.711 1.326 -22.081 262 H THR 35 H THR 35 3.061 3.347 -20.702 263 HA THR 35 HA THR 35 0.283 4.184 -20.415 264 HB THR 35 HB THR 35 0.587 3.790 -18.002 265 HG1 THR 35 HG1 THR 35 2.581 4.044 -17.319 266 HG21 THR 35 3HG2 THR 35 -0.034 1.886 -19.392 267 HG22 THR 35 1HG2 THR 35 1.036 1.363 -18.092 268 HG23 THR 35 2HG2 THR 35 1.665 1.551 -19.729 269 H ASP 36 H ASP 36 3.423 5.325 -19.128 270 HA ASP 36 HA ASP 36 2.231 8.012 -18.797 271 HB2 ASP 36 2HB ASP 36 4.344 6.659 -17.102 272 HB3 ASP 36 3HB ASP 36 3.823 8.331 -16.911 273 HA PRO 37 HA PRO 37 5.631 8.529 -21.871 274 HB2 PRO 37 2HB PRO 37 4.500 10.606 -23.202 275 HB3 PRO 37 3HB PRO 37 4.045 8.924 -23.500 276 HG2 PRO 37 2HG PRO 37 2.671 10.978 -21.795 277 HG3 PRO 37 3HG PRO 37 1.965 9.847 -22.968 278 HD2 PRO 37 2HD PRO 37 1.929 9.371 -20.302 279 HD3 PRO 37 3HD PRO 37 2.064 8.062 -21.495 280 H ASP 38 H ASP 38 4.316 10.591 -19.456 281 HA ASP 38 HA ASP 38 6.246 12.740 -19.899 282 HB2 ASP 38 2HB ASP 38 5.035 13.896 -18.107 283 HB3 ASP 38 3HB ASP 38 3.923 13.310 -19.341 284 H TYR 39 H TYR 39 6.181 9.824 -18.204 285 HA TYR 39 HA TYR 39 7.576 10.664 -15.827 286 HB2 TYR 39 2HB TYR 39 6.019 8.636 -16.083 287 HB3 TYR 39 3HB TYR 39 7.372 7.833 -16.868 288 HD1 TYR 39 HD1 TYR 39 6.533 9.655 -13.709 289 HD2 TYR 39 HD2 TYR 39 8.831 6.577 -15.544 290 HE1 TYR 39 HE1 TYR 39 7.344 8.947 -11.498 291 HE2 TYR 39 HE2 TYR 39 9.649 5.863 -13.341 292 HH TYR 39 HH TYR 39 9.939 6.759 -11.100 293 H VAL 40 H VAL 40 9.448 11.704 -16.479 294 HA VAL 40 HA VAL 40 11.167 10.924 -18.543 295 HB VAL 40 HB VAL 40 11.884 12.536 -16.083 296 HG11 VAL 40 1HG1 VAL 40 13.867 11.815 -17.304 297 HG12 VAL 40 2HG1 VAL 40 13.614 13.547 -17.510 298 HG13 VAL 40 3HG1 VAL 40 13.187 12.435 -18.810 299 HG21 VAL 40 3HG2 VAL 40 9.943 13.483 -17.198 300 HG22 VAL 40 1HG2 VAL 40 10.785 13.436 -18.750 301 HG23 VAL 40 2HG2 VAL 40 11.354 14.504 -17.468 302 H GLY 41 H GLY 41 11.218 10.067 -15.106 303 HA2 GLY 41 2HA GLY 41 13.720 8.939 -14.818 304 HA3 GLY 41 3HA GLY 41 12.284 8.346 -13.999 305 H THR 42 H THR 42 10.923 7.522 -16.435 306 HA THR 42 HA THR 42 11.931 4.907 -16.772 307 HB THR 42 HB THR 42 10.032 6.446 -18.565 308 HG1 THR 42 HG1 THR 42 8.451 5.643 -17.299 309 HG21 THR 42 3HG2 THR 42 11.013 4.536 -19.748 310 HG22 THR 42 1HG2 THR 42 9.314 4.240 -19.380 311 HG23 THR 42 2HG2 THR 42 10.573 3.472 -18.411 312 H TYR 43 H TYR 43 11.970 7.685 -19.024 313 HA TYR 43 HA TYR 43 13.313 6.410 -21.126 314 HB2 TYR 43 2HB TYR 43 13.282 9.347 -20.393 315 HB3 TYR 43 3HB TYR 43 13.811 8.699 -21.943 316 HD1 TYR 43 HD1 TYR 43 12.172 7.692 -23.495 317 HD2 TYR 43 HD2 TYR 43 10.934 9.535 -19.860 318 HE1 TYR 43 HE1 TYR 43 9.866 7.794 -24.337 319 HE2 TYR 43 HE2 TYR 43 8.626 9.640 -20.697 320 HH TYR 43 HH TYR 43 7.429 9.629 -22.790 321 H TYR 44 H TYR 44 14.603 8.309 -18.422 322 HA TYR 44 HA TYR 44 17.273 8.438 -19.220 323 HB2 TYR 44 2HB TYR 44 16.377 9.765 -17.372 324 HB3 TYR 44 3HB TYR 44 16.128 8.308 -16.418 325 HD1 TYR 44 HD2 TYR 44 18.888 10.122 -18.193 326 HD2 TYR 44 HD1 TYR 44 17.740 7.749 -14.845 327 HE1 TYR 44 HE2 TYR 44 21.153 10.348 -17.262 328 HE2 TYR 44 HE1 TYR 44 19.998 7.970 -13.909 329 HH TYR 44 HH TYR 44 22.280 10.195 -15.090 330 H HIS 45 H HIS 45 15.747 6.001 -17.069 331 HA HIS 45 HA HIS 45 18.128 4.391 -16.971 332 HB2 HIS 45 2HB HIS 45 15.299 3.912 -16.042 333 HB3 HIS 45 3HB HIS 45 16.573 2.709 -15.860 334 HD1 HIS 45 HD1 HIS 45 18.125 2.973 -13.905 335 HD2 HIS 45 HD2 HIS 45 15.772 6.339 -14.527 336 HE1 HIS 45 HE1 HIS 45 18.554 4.465 -11.935 337 HE2 HIS 45 HE2 HIS 45 17.159 6.511 -12.350 338 H LEU 46 H LEU 46 15.247 4.401 -18.974 339 HA LEU 46 HA LEU 46 15.454 1.783 -20.009 340 HB2 LEU 46 2HB LEU 46 13.423 3.131 -20.214 341 HB3 LEU 46 3HB LEU 46 14.260 4.260 -21.262 342 HG LEU 46 HG LEU 46 14.466 2.562 -22.998 343 HD11 LEU 46 1HD1 LEU 46 14.704 0.585 -21.595 344 HD12 LEU 46 2HD1 LEU 46 13.409 0.368 -22.770 345 HD13 LEU 46 3HD1 LEU 46 13.021 0.726 -21.088 346 HD21 LEU 46 3HD2 LEU 46 11.640 2.713 -21.939 347 HD22 LEU 46 1HD2 LEU 46 12.117 2.323 -23.592 348 HD23 LEU 46 2HD2 LEU 46 12.429 3.933 -22.940 349 H GLY 47 H GLY 47 16.760 4.882 -21.190 350 HA2 GLY 47 2HA GLY 47 18.038 3.917 -23.498 351 HA3 GLY 47 3HA GLY 47 18.545 5.320 -22.571 352 H LYS 48 H LYS 48 19.309 4.238 -20.181 353 HA LYS 48 HA LYS 48 21.853 3.177 -20.570 354 HB2 LYS 48 2HB LYS 48 20.083 2.785 -18.140 355 HB3 LYS 48 3HB LYS 48 21.833 2.631 -18.181 356 HG2 LYS 48 2HG LYS 48 20.293 5.173 -18.690 357 HG3 LYS 48 3HG LYS 48 21.087 4.740 -17.176 358 HD2 LYS 48 2HD LYS 48 23.255 4.651 -18.398 359 HD3 LYS 48 3HD LYS 48 22.421 5.209 -19.849 360 HE2 LYS 48 2HE LYS 48 23.517 7.069 -18.728 361 HE3 LYS 48 3HE LYS 48 21.766 7.264 -18.670 362 HZ1 LYS 48 3HZ LYS 48 22.782 7.789 -16.546 363 HZ2 LYS 48 1HZ LYS 48 23.471 6.249 -16.461 364 HZ3 LYS 48 2HZ LYS 48 21.793 6.423 -16.395 365 H LEU 49 H LEU 49 18.779 1.534 -20.007 366 HA LEU 49 HA LEU 49 19.777 -1.104 -19.857 367 HB2 LEU 49 2HB LEU 49 17.547 -0.482 -19.085 368 HB3 LEU 49 3HB LEU 49 17.069 -0.087 -20.724 369 HG LEU 49 HG LEU 49 17.126 -2.404 -21.388 370 HD11 LEU 49 1HD1 LEU 49 17.723 -4.190 -19.809 371 HD12 LEU 49 2HD1 LEU 49 18.222 -2.978 -18.630 372 HD13 LEU 49 3HD1 LEU 49 19.092 -3.135 -20.157 373 HD21 LEU 49 3HD2 LEU 49 15.434 -3.351 -19.878 374 HD22 LEU 49 1HD2 LEU 49 15.097 -1.665 -20.269 375 HD23 LEU 49 2HD2 LEU 49 15.783 -2.087 -18.699 376 H TYR 50 H TYR 50 18.581 0.816 -22.624 377 HA TYR 50 HA TYR 50 18.986 -1.184 -24.575 378 HB2 TYR 50 2HB TYR 50 18.892 1.826 -24.751 379 HB3 TYR 50 3HB TYR 50 19.204 0.831 -26.171 380 HD1 TYR 50 HD2 TYR 50 17.417 -1.398 -25.959 381 HD2 TYR 50 HD1 TYR 50 16.712 2.658 -24.866 382 HE1 TYR 50 HE2 TYR 50 15.004 -1.734 -26.276 383 HE2 TYR 50 HE1 TYR 50 14.299 2.324 -25.181 384 HH TYR 50 HH TYR 50 12.891 -0.741 -25.490 385 H GLU 51 H GLU 51 21.197 1.297 -23.279 386 HA GLU 51 HA GLU 51 23.467 0.681 -24.794 387 HB2 GLU 51 2HB GLU 51 23.294 1.488 -21.878 388 HB3 GLU 51 3HB GLU 51 24.779 1.458 -22.812 389 HG2 GLU 51 2HG GLU 51 23.878 3.175 -24.310 390 HG3 GLU 51 3HG GLU 51 22.392 3.214 -23.359 391 H ARG 52 H ARG 52 22.233 -0.822 -21.831 392 HA ARG 52 HA ARG 52 24.264 -2.756 -21.468 393 HB2 ARG 52 2HB ARG 52 22.634 -2.085 -19.733 394 HB3 ARG 52 3HB ARG 52 21.345 -2.847 -20.652 395 HG2 ARG 52 2HG ARG 52 22.339 -5.034 -20.300 396 HG3 ARG 52 3HG ARG 52 23.713 -4.300 -19.465 397 HD2 ARG 52 2HD ARG 52 22.175 -3.426 -17.743 398 HD3 ARG 52 3HD ARG 52 20.824 -4.203 -18.565 399 HE ARG 52 HE ARG 52 22.257 -6.329 -18.106 400 HH11 ARG 52 1HH1 ARG 52 21.914 -3.605 -16.005 401 HH12 ARG 52 2HH1 ARG 52 22.084 -4.553 -14.570 402 HH21 ARG 52 1HH2 ARG 52 22.478 -7.530 -16.242 403 HH22 ARG 52 2HH2 ARG 52 22.398 -6.742 -14.703 404 H LEU 53 H LEU 53 21.419 -2.671 -23.493 405 HA LEU 53 HA LEU 53 21.758 -5.452 -24.338 406 HB2 LEU 53 2HB LEU 53 19.719 -3.377 -25.160 407 HB3 LEU 53 3HB LEU 53 19.711 -5.057 -25.661 408 HG LEU 53 HG LEU 53 19.373 -4.082 -22.817 409 HD11 LEU 53 1HD1 LEU 53 17.349 -5.210 -24.753 410 HD12 LEU 53 2HD1 LEU 53 17.441 -3.538 -24.198 411 HD13 LEU 53 3HD1 LEU 53 17.055 -4.825 -23.057 412 HD21 LEU 53 3HD2 LEU 53 18.798 -6.411 -22.313 413 HD22 LEU 53 1HD2 LEU 53 20.451 -6.268 -22.910 414 HD23 LEU 53 2HD2 LEU 53 19.178 -6.866 -23.975 415 H ASP 54 H ASP 54 23.478 -2.900 -25.047 416 HA ASP 54 HA ASP 54 24.884 -2.325 -26.731 417 HB2 ASP 54 2HB ASP 54 25.104 -4.818 -26.936 418 HB3 ASP 54 3HB ASP 54 23.871 -4.779 -28.189 419 H ARG 55 H ARG 55 21.708 -2.010 -26.895 420 HA ARG 55 HA ARG 55 21.315 -1.381 -29.690 421 HB2 ARG 55 2HB ARG 55 19.509 -0.828 -27.320 422 HB3 ARG 55 3HB ARG 55 19.051 -0.738 -29.015 423 HG2 ARG 55 2HG ARG 55 19.896 -3.237 -27.551 424 HG3 ARG 55 3HG ARG 55 18.241 -2.787 -27.960 425 HD2 ARG 55 2HD ARG 55 20.483 -3.421 -29.880 426 HD3 ARG 55 3HD ARG 55 19.041 -4.388 -29.570 427 HE ARG 55 HE ARG 55 18.800 -1.680 -30.680 428 HH11 ARG 55 1HH1 ARG 55 18.284 -5.069 -30.974 429 HH12 ARG 55 2HH1 ARG 55 17.275 -4.896 -32.366 430 HH21 ARG 55 1HH2 ARG 55 17.519 -1.465 -32.431 431 HH22 ARG 55 2HH2 ARG 55 16.840 -2.870 -33.180 432 H THR 56 H THR 56 23.118 0.194 -29.754 433 HA THR 56 HA THR 56 23.208 2.548 -28.214 434 HB THR 56 HB THR 56 24.320 2.164 -31.009 435 HG1 THR 56 HG1 THR 56 25.592 0.783 -30.033 436 HG21 THR 56 3HG2 THR 56 25.105 4.075 -28.796 437 HG22 THR 56 1HG2 THR 56 24.312 4.510 -30.312 438 HG23 THR 56 2HG2 THR 56 25.958 3.876 -30.326 439 H ASP 57 H ASP 57 21.990 2.117 -31.557 440 HA ASP 57 HA ASP 57 21.201 4.784 -31.950 441 HB2 ASP 57 2HB ASP 57 20.146 2.252 -33.230 442 HB3 ASP 57 3HB ASP 57 19.801 3.881 -33.805 443 H ASP 58 H ASP 58 19.300 1.985 -30.850 444 HA ASP 58 HA ASP 58 16.819 3.293 -30.628 445 HB2 ASP 58 2HB ASP 58 17.790 0.955 -28.969 446 HB3 ASP 58 3HB ASP 58 16.118 1.368 -29.346 447 H ALA 59 H ALA 59 19.460 2.892 -28.280 448 HA ALA 59 HA ALA 59 18.253 4.048 -26.031 449 HB1 ALA 59 3HB ALA 59 20.529 4.511 -25.244 450 HB2 ALA 59 1HB ALA 59 21.159 4.215 -26.866 451 HB3 ALA 59 2HB ALA 59 20.422 2.899 -25.951 452 H ILE 60 H ILE 60 20.196 5.605 -28.588 453 HA ILE 60 HA ILE 60 20.079 8.240 -27.687 454 HB ILE 60 HB ILE 60 20.132 7.278 -30.559 455 HG12 ILE 60 2HG1 ILE 60 22.434 8.023 -28.726 456 HG13 ILE 60 3HG1 ILE 60 21.954 6.372 -29.106 457 HG21 ILE 60 1HG2 ILE 60 19.537 9.646 -30.403 458 HG22 ILE 60 2HG2 ILE 60 21.153 9.447 -31.077 459 HG23 ILE 60 3HG2 ILE 60 20.954 9.947 -29.397 460 HD11 ILE 60 3HD1 ILE 60 22.944 8.418 -31.080 461 HD12 ILE 60 1HD1 ILE 60 22.476 6.759 -31.456 462 HD13 ILE 60 2HD1 ILE 60 23.871 7.070 -30.422 463 H ASP 61 H ASP 61 17.835 6.559 -29.900 464 HA ASP 61 HA ASP 61 16.122 8.735 -30.404 465 HB2 ASP 61 2HB ASP 61 16.143 6.628 -31.718 466 HB3 ASP 61 3HB ASP 61 15.414 5.788 -30.354 467 H THR 62 H THR 62 16.090 6.298 -27.843 468 HA THR 62 HA THR 62 13.685 7.056 -26.578 469 HB THR 62 HB THR 62 16.174 5.846 -25.332 470 HG1 THR 62 HG1 THR 62 15.438 4.395 -26.808 471 HG21 THR 62 3HG2 THR 62 14.659 5.037 -23.565 472 HG22 THR 62 1HG2 THR 62 13.326 5.928 -24.302 473 HG23 THR 62 2HG2 THR 62 14.701 6.799 -23.624 474 H TYR 63 H TYR 63 17.044 8.131 -26.054 475 HA TYR 63 HA TYR 63 16.476 9.982 -23.985 476 HB2 TYR 63 2HB TYR 63 18.754 9.883 -25.973 477 HB3 TYR 63 3HB TYR 63 18.682 11.020 -24.631 478 HD1 TYR 63 HD2 TYR 63 17.897 9.565 -22.337 479 HD2 TYR 63 HD1 TYR 63 20.310 8.211 -25.576 480 HE1 TYR 63 HE2 TYR 63 18.942 7.908 -20.856 481 HE2 TYR 63 HE1 TYR 63 21.358 6.546 -24.100 482 HH TYR 63 HH TYR 63 21.710 6.047 -21.838 483 H ALA 64 H ALA 64 16.561 10.326 -27.508 484 HA ALA 64 HA ALA 64 16.403 13.085 -27.767 485 HB1 ALA 64 3HB ALA 64 16.735 11.547 -29.647 486 HB2 ALA 64 1HB ALA 64 15.423 12.681 -29.966 487 HB3 ALA 64 2HB ALA 64 15.060 11.015 -29.511 488 H GLN 65 H GLN 65 13.616 10.824 -27.765 489 HA GLN 65 HA GLN 65 11.617 12.808 -27.573 490 HB2 GLN 65 2HB GLN 65 11.451 10.256 -28.129 491 HB3 GLN 65 3HB GLN 65 11.291 10.049 -26.393 492 HG2 GLN 65 2HG GLN 65 9.486 11.814 -28.042 493 HG3 GLN 65 3HG GLN 65 9.142 10.126 -27.692 494 HE21 GLN 65 1HE2 GLN 65 10.193 10.290 -24.968 495 HE22 GLN 65 2HE2 GLN 65 9.019 11.168 -24.063 496 H GLY 66 H GLY 66 13.435 11.015 -25.125 497 HA2 GLY 66 2HA GLY 66 12.150 11.862 -22.801 498 HA3 GLY 66 3HA GLY 66 13.857 11.458 -22.913 499 H ILE 67 H ILE 67 14.679 13.497 -24.678 500 HA ILE 67 HA ILE 67 15.178 15.667 -22.984 501 HB ILE 67 HB ILE 67 15.311 15.406 -25.994 502 HG12 ILE 67 2HG1 ILE 67 17.470 15.512 -23.866 503 HG13 ILE 67 3HG1 ILE 67 16.896 14.054 -24.667 504 HG21 ILE 67 1HG2 ILE 67 16.293 17.738 -24.346 505 HG22 ILE 67 2HG2 ILE 67 14.948 17.766 -25.485 506 HG23 ILE 67 3HG2 ILE 67 16.589 17.492 -26.066 507 HD11 ILE 67 3HD1 ILE 67 18.994 14.772 -25.610 508 HD12 ILE 67 1HD1 ILE 67 18.323 16.362 -25.974 509 HD13 ILE 67 2HD1 ILE 67 17.711 14.932 -26.808 510 H GLU 68 H GLU 68 12.747 15.261 -25.529 511 HA GLU 68 HA GLU 68 11.668 17.862 -25.441 512 HB2 GLU 68 2HB GLU 68 10.274 15.291 -26.229 513 HB3 GLU 68 3HB GLU 68 9.795 16.921 -26.690 514 HG2 GLU 68 2HG GLU 68 11.939 17.171 -27.906 515 HG3 GLU 68 3HG GLU 68 12.337 15.505 -27.495 516 H VAL 69 H VAL 69 10.531 14.858 -23.846 517 HA VAL 69 HA VAL 69 8.459 16.231 -22.416 518 HB VAL 69 HB VAL 69 8.136 14.148 -21.164 519 HG11 VAL 69 1HG1 VAL 69 8.498 13.743 -24.139 520 HG12 VAL 69 2HG1 VAL 69 7.065 14.383 -23.333 521 HG13 VAL 69 3HG1 VAL 69 7.546 12.707 -23.074 522 HG21 VAL 69 3HG2 VAL 69 10.453 13.438 -20.924 523 HG22 VAL 69 1HG2 VAL 69 10.568 13.153 -22.662 524 HG23 VAL 69 2HG2 VAL 69 9.495 12.161 -21.672 525 H ALA 70 H ALA 70 11.825 15.669 -21.768 526 HA ALA 70 HA ALA 70 11.762 15.979 -18.943 527 HB1 ALA 70 3HB ALA 70 13.692 15.031 -20.126 528 HB2 ALA 70 1HB ALA 70 14.159 16.389 -19.102 529 HB3 ALA 70 2HB ALA 70 14.021 16.607 -20.848 530 H ARG 71 H ARG 71 12.433 18.306 -21.558 531 HA ARG 71 HA ARG 71 12.741 20.553 -19.864 532 HB2 ARG 71 2HB ARG 71 12.470 21.885 -21.962 533 HB3 ARG 71 3HB ARG 71 13.675 20.607 -22.074 534 HG2 ARG 71 2HG ARG 71 12.084 19.198 -23.280 535 HG3 ARG 71 3HG ARG 71 10.853 20.454 -23.141 536 HD2 ARG 71 2HD ARG 71 13.490 20.725 -24.596 537 HD3 ARG 71 3HD ARG 71 11.925 20.442 -25.358 538 HE ARG 71 HE ARG 71 12.820 22.916 -24.068 539 HH11 ARG 71 1HH1 ARG 71 10.410 21.210 -25.862 540 HH12 ARG 71 2HH1 ARG 71 9.560 22.651 -26.286 541 HH21 ARG 71 1HH2 ARG 71 11.714 24.754 -24.634 542 HH22 ARG 71 2HH2 ARG 71 10.290 24.626 -25.610 543 H GLU 72 H GLU 72 9.886 19.227 -21.515 544 HA GLU 72 HA GLU 72 8.257 21.499 -20.705 545 HB2 GLU 72 2HB GLU 72 7.587 18.996 -22.260 546 HB3 GLU 72 3HB GLU 72 6.419 20.256 -21.884 547 HG2 GLU 72 2HG GLU 72 8.919 20.573 -23.542 548 HG3 GLU 72 3HG GLU 72 7.263 20.517 -24.142 549 H GLU 73 H GLU 73 8.237 17.979 -20.008 550 HA GLU 73 HA GLU 73 6.094 18.383 -18.059 551 HB2 GLU 73 2HB GLU 73 7.402 15.854 -19.083 552 HB3 GLU 73 3HB GLU 73 6.058 15.896 -17.949 553 HG2 GLU 73 2HG GLU 73 5.995 16.986 -20.762 554 HG3 GLU 73 3HG GLU 73 5.352 15.423 -20.258 555 H GLY 74 H GLY 74 9.312 16.808 -18.069 556 HA2 GLY 74 2HA GLY 74 9.253 16.409 -15.215 557 HA3 GLY 74 3HA GLY 74 10.586 16.038 -16.292 558 H THR 75 H THR 75 12.355 17.310 -16.194 559 HA THR 75 HA THR 75 12.171 20.055 -15.264 560 HB THR 75 HB THR 75 12.321 18.896 -13.127 561 HG1 THR 75 HG1 THR 75 13.627 20.432 -12.513 562 HG21 THR 75 3HG2 THR 75 14.290 17.538 -12.550 563 HG22 THR 75 1HG2 THR 75 14.871 17.678 -14.208 564 HG23 THR 75 2HG2 THR 75 13.371 16.812 -13.870 565 H GLN 76 H GLN 76 14.327 21.135 -15.229 566 HA GLN 76 HA GLN 76 15.647 20.653 -17.719 567 HB2 GLN 76 2HB GLN 76 15.238 22.913 -16.785 568 HB3 GLN 76 3HB GLN 76 16.381 22.574 -15.494 569 HG2 GLN 76 2HG GLN 76 18.193 22.403 -17.102 570 HG3 GLN 76 3HG GLN 76 17.062 22.638 -18.433 571 HE21 GLN 76 1HE2 GLN 76 15.536 24.671 -16.981 572 HE22 GLN 76 2HE2 GLN 76 16.504 26.096 -17.013 573 H LYS 77 H LYS 77 16.279 19.706 -14.432 574 HA LYS 77 HA LYS 77 19.081 19.304 -14.631 575 HB2 LYS 77 2HB LYS 77 17.985 19.410 -12.466 576 HB3 LYS 77 3HB LYS 77 17.042 17.969 -12.835 577 HG2 LYS 77 2HG LYS 77 19.038 16.611 -12.844 578 HG3 LYS 77 3HG LYS 77 20.051 18.039 -12.628 579 HD2 LYS 77 2HD LYS 77 19.006 18.429 -10.432 580 HD3 LYS 77 3HD LYS 77 18.021 16.978 -10.653 581 HE2 LYS 77 2HE LYS 77 19.997 16.565 -9.235 582 HE3 LYS 77 3HE LYS 77 20.022 15.598 -10.708 583 HZ1 LYS 77 3HZ LYS 77 22.182 16.572 -10.230 584 HZ2 LYS 77 1HZ LYS 77 21.520 18.126 -10.285 585 HZ3 LYS 77 2HZ LYS 77 21.561 17.178 -11.680 586 H ASP 78 H ASP 78 16.386 16.937 -14.913 587 HA ASP 78 HA ASP 78 18.050 14.827 -15.820 588 HB2 ASP 78 2HB ASP 78 15.066 15.266 -16.102 589 HB3 ASP 78 3HB ASP 78 15.885 13.787 -16.598 590 H LEU 79 H LEU 79 16.310 17.401 -17.495 591 HA LEU 79 HA LEU 79 16.660 16.690 -20.152 592 HB2 LEU 79 2HB LEU 79 15.432 18.668 -19.549 593 HB3 LEU 79 3HB LEU 79 16.841 19.380 -18.790 594 HG LEU 79 HG LEU 79 17.919 19.582 -21.008 595 HD11 LEU 79 1HD1 LEU 79 16.831 17.753 -22.159 596 HD12 LEU 79 2HD1 LEU 79 16.567 19.262 -23.032 597 HD13 LEU 79 3HD1 LEU 79 15.273 18.575 -22.048 598 HD21 LEU 79 3HD2 LEU 79 15.195 20.867 -20.791 599 HD22 LEU 79 1HD2 LEU 79 16.503 21.404 -21.847 600 HD23 LEU 79 2HD2 LEU 79 16.699 21.474 -20.096 601 H SER 80 H SER 80 18.959 18.391 -18.023 602 HA SER 80 HA SER 80 21.093 18.638 -19.829 603 HB2 SER 80 2HB SER 80 21.031 19.816 -17.673 604 HB3 SER 80 3HB SER 80 21.200 18.284 -16.818 605 HG SER 80 HG SER 80 23.103 19.859 -17.921 606 H GLU 81 H GLU 81 20.352 16.035 -17.518 607 HA GLU 81 HA GLU 81 22.562 14.386 -18.013 608 HB2 GLU 81 2HB GLU 81 19.749 13.682 -17.146 609 HB3 GLU 81 3HB GLU 81 21.076 12.529 -17.164 610 HG2 GLU 81 2HG GLU 81 21.011 15.073 -15.548 611 HG3 GLU 81 3HG GLU 81 20.638 13.465 -14.931 612 H LEU 82 H LEU 82 19.320 14.263 -19.508 613 HA LEU 82 HA LEU 82 19.785 12.034 -21.146 614 HB2 LEU 82 2HB LEU 82 17.886 14.345 -21.587 615 HB3 LEU 82 3HB LEU 82 17.819 12.808 -22.434 616 HG LEU 82 HG LEU 82 17.437 13.170 -19.452 617 HD11 LEU 82 1HD1 LEU 82 15.401 12.578 -21.598 618 HD12 LEU 82 2HD1 LEU 82 15.587 14.112 -20.746 619 HD13 LEU 82 3HD1 LEU 82 15.098 12.668 -19.862 620 HD21 LEU 82 3HD2 LEU 82 16.745 10.832 -19.460 621 HD22 LEU 82 1HD2 LEU 82 18.405 10.997 -20.032 622 HD23 LEU 82 2HD2 LEU 82 17.098 10.719 -21.184 623 H GLN 83 H GLN 83 20.367 15.473 -21.751 624 HA GLN 83 HA GLN 83 21.065 15.323 -24.467 625 HB2 GLN 83 2HB GLN 83 22.024 17.179 -22.279 626 HB3 GLN 83 3HB GLN 83 22.453 17.390 -23.972 627 HG2 GLN 83 2HG GLN 83 20.112 17.684 -24.551 628 HG3 GLN 83 3HG GLN 83 19.645 17.389 -22.876 629 HE21 GLN 83 1HE2 GLN 83 20.057 18.961 -21.333 630 HE22 GLN 83 2HE2 GLN 83 20.451 20.590 -21.748 631 H ASP 84 H ASP 84 23.170 15.080 -21.585 632 HA ASP 84 HA ASP 84 25.544 14.477 -22.999 633 HB2 ASP 84 2HB ASP 84 25.612 15.228 -20.682 634 HB3 ASP 84 3HB ASP 84 24.732 13.795 -20.160 635 H ALA 85 H ALA 85 23.011 12.419 -21.624 636 HA ALA 85 HA ALA 85 24.165 9.919 -21.928 637 HB1 ALA 85 3HB ALA 85 21.925 9.014 -21.861 638 HB2 ALA 85 1HB ALA 85 21.244 10.589 -22.274 639 HB3 ALA 85 2HB ALA 85 22.064 10.358 -20.729 640 H LYS 86 H LYS 86 22.223 11.702 -24.369 641 HA LYS 86 HA LYS 86 22.653 9.688 -26.375 642 HB2 LYS 86 2HB LYS 86 21.694 11.293 -27.961 643 HB3 LYS 86 3HB LYS 86 20.701 11.138 -26.520 644 HG2 LYS 86 2HG LYS 86 21.372 13.254 -25.704 645 HG3 LYS 86 3HG LYS 86 22.689 13.369 -26.873 646 HD2 LYS 86 2HD LYS 86 19.750 13.329 -27.586 647 HD3 LYS 86 3HD LYS 86 20.728 14.791 -27.444 648 HE2 LYS 86 2HE LYS 86 22.188 14.000 -29.239 649 HE3 LYS 86 3HE LYS 86 21.244 12.516 -29.367 650 HZ1 LYS 86 3HZ LYS 86 20.660 14.165 -31.058 651 HZ2 LYS 86 1HZ LYS 86 20.185 15.249 -29.850 652 HZ3 LYS 86 2HZ LYS 86 19.345 13.797 -30.061 653 H LEU 87 H LEU 87 24.231 12.730 -25.516 654 HA LEU 87 HA LEU 87 25.833 13.144 -27.746 655 HB2 LEU 87 2HB LEU 87 25.594 14.771 -25.940 656 HB3 LEU 87 3HB LEU 87 26.451 13.711 -24.839 657 HG LEU 87 HG LEU 87 28.504 13.973 -26.210 658 HD11 LEU 87 1HD1 LEU 87 28.612 15.700 -27.929 659 HD12 LEU 87 2HD1 LEU 87 26.882 15.996 -27.755 660 HD13 LEU 87 3HD1 LEU 87 27.454 14.443 -28.367 661 HD21 LEU 87 3HD2 LEU 87 27.285 16.579 -25.287 662 HD22 LEU 87 1HD2 LEU 87 29.003 16.266 -25.538 663 HD23 LEU 87 2HD2 LEU 87 28.127 15.412 -24.268 664 H LYS 88 H LYS 88 26.674 11.310 -24.785 665 HA LYS 88 HA LYS 88 29.190 10.411 -25.647 666 HB2 LYS 88 2HB LYS 88 28.934 8.615 -23.954 667 HB3 LYS 88 3HB LYS 88 28.511 10.200 -23.318 668 HG2 LYS 88 2HG LYS 88 26.199 9.726 -23.395 669 HG3 LYS 88 3HG LYS 88 26.451 8.282 -24.373 670 HD2 LYS 88 2HD LYS 88 27.665 7.268 -22.433 671 HD3 LYS 88 3HD LYS 88 27.203 8.679 -21.474 672 HE2 LYS 88 2HE LYS 88 24.867 8.183 -21.758 673 HE3 LYS 88 3HE LYS 88 25.230 6.885 -22.894 674 HZ1 LYS 88 3HZ LYS 88 24.764 5.869 -20.855 675 HZ2 LYS 88 1HZ LYS 88 25.737 6.947 -19.980 676 HZ3 LYS 88 2HZ LYS 88 26.445 5.804 -21.003 677 H ALA 89 H ALA 89 25.979 8.902 -25.998 678 HA ALA 89 HA ALA 89 26.811 6.436 -27.030 679 HB1 ALA 89 3HB ALA 89 24.206 7.870 -27.536 680 HB2 ALA 89 1HB ALA 89 24.567 6.847 -26.147 681 HB3 ALA 89 2HB ALA 89 24.505 6.147 -27.765 682 H GLU 90 H GLU 90 25.990 9.446 -28.734 683 HA GLU 90 HA GLU 90 26.201 8.388 -31.356 684 HB2 GLU 90 2HB GLU 90 26.565 11.234 -30.395 685 HB3 GLU 90 3HB GLU 90 26.366 10.752 -32.075 686 HG2 GLU 90 2HG GLU 90 24.139 9.849 -31.530 687 HG3 GLU 90 3HG GLU 90 24.340 10.407 -29.870 688 H GLY 91 H GLY 91 28.612 9.103 -29.045 689 HA2 GLY 91 2HA GLY 91 30.709 9.199 -31.137 690 HA3 GLY 91 3HA GLY 91 30.887 9.846 -29.514 691 H LEU 92 H LEU 92 29.377 7.125 -28.793 692 HA LEU 92 HA LEU 92 31.700 5.758 -27.922 693 HB2 LEU 92 2HB LEU 92 28.823 4.868 -28.117 694 HB3 LEU 92 3HB LEU 92 30.084 3.867 -27.426 695 HG LEU 92 HG LEU 92 29.181 6.553 -26.371 696 HD11 LEU 92 1HD1 LEU 92 28.797 3.771 -25.264 697 HD12 LEU 92 2HD1 LEU 92 27.547 4.798 -25.969 698 HD13 LEU 92 3HD1 LEU 92 28.334 5.275 -24.465 699 HD21 LEU 92 3HD2 LEU 92 31.553 6.256 -25.968 700 HD22 LEU 92 1HD2 LEU 92 31.267 4.644 -25.308 701 HD23 LEU 92 2HD2 LEU 92 30.659 6.066 -24.460 702 H GLU 93 H GLU 93 29.750 5.464 -30.812 703 HA GLU 93 HA GLU 93 31.564 3.350 -31.774 704 HB2 GLU 93 2HB GLU 93 29.664 2.394 -33.055 705 HB3 GLU 93 3HB GLU 93 29.441 2.312 -31.316 706 HG2 GLU 93 2HG GLU 93 27.351 2.903 -32.217 707 HG3 GLU 93 3HG GLU 93 28.005 4.380 -31.512 708 H HIS 94 H HIS 94 30.939 3.150 -34.366 709 HA HIS 94 HA HIS 94 30.639 5.742 -35.605 710 HB2 HIS 94 2HB HIS 94 32.855 5.522 -36.839 711 HB3 HIS 94 3HB HIS 94 32.949 5.982 -35.144 712 HD1 HIS 94 HD1 HIS 94 33.975 4.253 -33.500 713 HD2 HIS 94 HD2 HIS 94 33.992 3.040 -37.472 714 HE1 HIS 94 HE1 HIS 94 35.474 2.246 -33.581 715 HE2 HIS 94 HE2 HIS 94 35.387 1.469 -35.967 716 H HIS 95 H HIS 95 28.979 5.019 -36.880 717 HA HIS 95 HA HIS 95 28.925 2.591 -38.315 718 HB2 HIS 95 2HB HIS 95 27.487 5.213 -38.792 719 HB3 HIS 95 3HB HIS 95 27.171 3.759 -39.732 720 HD1 HIS 95 HD1 HIS 95 26.308 5.433 -36.579 721 HD2 HIS 95 HD2 HIS 95 26.010 1.604 -38.165 722 HE1 HIS 95 HE1 HIS 95 24.636 4.237 -35.138 723 HE2 HIS 95 HE2 HIS 95 24.622 1.878 -36.002 724 H HIS 96 H HIS 96 30.405 1.992 -39.802 725 HA HIS 96 HA HIS 96 31.753 4.026 -41.417 726 HB2 HIS 96 2HB HIS 96 33.014 2.184 -40.224 727 HB3 HIS 96 3HB HIS 96 32.301 1.047 -41.361 728 HD1 HIS 96 HD1 HIS 96 35.028 3.490 -40.981 729 HD2 HIS 96 HD2 HIS 96 33.225 1.388 -44.078 730 HE1 HIS 96 HE1 HIS 96 36.608 3.662 -42.917 731 HE2 HIS 96 HE2 HIS 96 35.382 2.596 -44.832 732 H HIS 97 H HIS 97 30.413 4.659 -43.043 733 HA HIS 97 HA HIS 97 30.005 3.024 -45.317 734 HB2 HIS 97 2HB HIS 97 28.267 1.920 -44.090 735 HB3 HIS 97 3HB HIS 97 27.616 3.446 -43.507 736 HD1 HIS 97 HD1 HIS 97 28.023 1.619 -46.837 737 HD2 HIS 97 HD2 HIS 97 25.524 4.357 -44.960 738 HE1 HIS 97 HE1 HIS 97 26.113 1.984 -48.421 739 HE2 HIS 97 HE2 HIS 97 24.524 3.480 -47.172 740 H HIS 98 H HIS 98 29.869 4.356 -47.050 741 HA HIS 98 HA HIS 98 29.586 7.202 -46.624 742 HB2 HIS 98 2HB HIS 98 30.122 7.448 -48.977 743 HB3 HIS 98 3HB HIS 98 31.218 6.276 -48.258 744 HD1 HIS 98 HD1 HIS 98 28.238 6.478 -50.578 745 HD2 HIS 98 HD2 HIS 98 31.150 3.751 -49.402 746 HE1 HIS 98 HE1 HIS 98 28.016 4.532 -52.146 747 HE2 HIS 98 HE2 HIS 98 29.876 2.969 -51.512 748 H HIS 99 H HIS 99 27.955 8.553 -47.383 749 HA HIS 99 HA HIS 99 25.413 7.239 -48.098 750 HB2 HIS 99 2HB HIS 99 25.345 8.734 -46.149 751 HB3 HIS 99 3HB HIS 99 25.956 10.064 -47.125 752 HD1 HIS 99 HD1 HIS 99 24.296 11.172 -48.795 753 HD2 HIS 99 HD2 HIS 99 22.619 8.185 -46.442 754 HE1 HIS 99 HE1 HIS 99 21.814 11.400 -49.086 755 HE2 HIS 99 HE2 HIS 99 20.815 9.622 -47.616 Start of MODEL 11 1 H1 GLU 1 1H GLU 1 0.484 1.020 -0.764 2 H2 GLU 1 2H GLU 1 0.019 1.797 -2.190 3 H3 GLU 1 3H GLU 1 0.781 2.674 -0.965 4 HA GLU 1 HA GLU 1 2.290 2.211 -2.788 5 HB2 GLU 1 2HB GLU 1 2.916 0.760 -0.204 6 HB3 GLU 1 3HB GLU 1 4.107 1.104 -1.449 7 HG2 GLU 1 2HG GLU 1 4.339 2.737 0.265 8 HG3 GLU 1 3HG GLU 1 3.643 3.530 -1.146 9 H ASP 2 H ASP 2 1.940 0.998 -4.548 10 HA ASP 2 HA ASP 2 2.232 -1.917 -4.352 11 HB2 ASP 2 2HB ASP 2 0.044 -0.512 -5.919 12 HB3 ASP 2 3HB ASP 2 0.340 -2.249 -5.898 13 HA PRO 3 HA PRO 3 4.881 -1.526 -7.889 14 HB2 PRO 3 2HB PRO 3 4.104 -3.630 -9.494 15 HB3 PRO 3 3HB PRO 3 5.140 -3.784 -8.073 16 HG2 PRO 3 2HG PRO 3 2.197 -4.269 -8.333 17 HG3 PRO 3 3HG PRO 3 3.418 -5.215 -7.458 18 HD2 PRO 3 2HD PRO 3 1.755 -3.530 -6.179 19 HD3 PRO 3 3HD PRO 3 3.436 -3.753 -5.652 20 H GLU 4 H GLU 4 1.575 -0.956 -8.225 21 HA GLU 4 HA GLU 4 1.695 -0.346 -11.070 22 HB2 GLU 4 2HB GLU 4 -0.544 -0.001 -9.063 23 HB3 GLU 4 3HB GLU 4 -0.674 0.374 -10.777 24 HG2 GLU 4 2HG GLU 4 -0.128 -2.007 -11.272 25 HG3 GLU 4 3HG GLU 4 -0.193 -2.332 -9.542 26 H ASP 5 H ASP 5 2.290 1.284 -8.112 27 HA ASP 5 HA ASP 5 1.690 3.943 -8.962 28 HB2 ASP 5 2HB ASP 5 3.499 2.911 -6.765 29 HB3 ASP 5 3HB ASP 5 3.110 4.613 -7.004 30 HA PRO 6 HA PRO 6 4.723 4.952 -11.874 31 HB2 PRO 6 2HB PRO 6 5.596 7.448 -10.955 32 HB3 PRO 6 3HB PRO 6 4.181 7.151 -11.969 33 HG2 PRO 6 2HG PRO 6 4.349 7.523 -9.006 34 HG3 PRO 6 3HG PRO 6 3.128 8.121 -10.146 35 HD2 PRO 6 2HD PRO 6 2.611 6.024 -8.585 36 HD3 PRO 6 3HD PRO 6 2.050 6.051 -10.270 37 H PHE 7 H PHE 7 6.004 5.958 -8.664 38 HA PHE 7 HA PHE 7 8.720 5.593 -9.517 39 HB2 PHE 7 2HB PHE 7 8.078 7.246 -7.786 40 HB3 PHE 7 3HB PHE 7 7.624 5.931 -6.710 41 HD1 PHE 7 HD1 PHE 7 10.488 7.453 -8.507 42 HD2 PHE 7 HD2 PHE 7 9.240 4.867 -5.356 43 HE1 PHE 7 HE1 PHE 7 12.799 7.368 -7.662 44 HE2 PHE 7 HE2 PHE 7 11.546 4.779 -4.510 45 HZ PHE 7 HZ PHE 7 13.329 6.030 -5.662 46 H THR 8 H THR 8 6.346 3.601 -7.888 47 HA THR 8 HA THR 8 8.131 1.667 -6.819 48 HB THR 8 HB THR 8 5.258 1.126 -7.596 49 HG1 THR 8 HG1 THR 8 4.631 2.093 -5.720 50 HG21 THR 8 3HG2 THR 8 7.002 0.022 -5.381 51 HG22 THR 8 1HG2 THR 8 6.585 -0.819 -6.875 52 HG23 THR 8 2HG2 THR 8 5.328 -0.426 -5.702 53 H ARG 9 H ARG 9 6.000 1.482 -9.706 54 HA ARG 9 HA ARG 9 6.975 -0.925 -10.744 55 HB2 ARG 9 2HB ARG 9 6.166 -0.022 -12.973 56 HB3 ARG 9 3HB ARG 9 4.982 -0.043 -11.675 57 HG2 ARG 9 2HG ARG 9 5.699 2.418 -11.296 58 HG3 ARG 9 3HG ARG 9 6.375 2.300 -12.919 59 HD2 ARG 9 2HD ARG 9 3.519 1.538 -12.333 60 HD3 ARG 9 3HD ARG 9 3.982 3.206 -12.659 61 HE ARG 9 HE ARG 9 4.407 2.651 -14.873 62 HH11 ARG 9 1HH1 ARG 9 3.487 -0.175 -13.102 63 HH12 ARG 9 2HH1 ARG 9 3.152 -1.083 -14.535 64 HH21 ARG 9 1HH2 ARG 9 3.931 1.464 -16.687 65 HH22 ARG 9 2HH2 ARG 9 3.417 -0.181 -16.519 66 H TYR 10 H TYR 10 8.217 2.357 -11.136 67 HA TYR 10 HA TYR 10 10.299 1.811 -12.949 68 HB2 TYR 10 2HB TYR 10 9.743 4.082 -12.562 69 HB3 TYR 10 3HB TYR 10 9.901 3.913 -10.819 70 HD1 TYR 10 HD2 TYR 10 12.016 3.599 -13.910 71 HD2 TYR 10 HD1 TYR 10 11.794 4.794 -9.823 72 HE1 TYR 10 HE2 TYR 10 14.318 4.460 -14.032 73 HE2 TYR 10 HE1 TYR 10 14.091 5.652 -9.942 74 HH TYR 10 HH TYR 10 16.008 5.581 -11.178 75 H ALA 11 H ALA 11 10.274 1.777 -9.378 76 HA ALA 11 HA ALA 11 12.992 1.126 -9.018 77 HB1 ALA 11 3HB ALA 11 11.552 2.011 -7.227 78 HB2 ALA 11 1HB ALA 11 12.382 0.532 -6.738 79 HB3 ALA 11 2HB ALA 11 10.675 0.481 -7.184 80 H LEU 12 H LEU 12 10.114 -1.012 -9.059 81 HA LEU 12 HA LEU 12 11.424 -3.449 -8.692 82 HB2 LEU 12 2HB LEU 12 8.839 -2.669 -9.981 83 HB3 LEU 12 3HB LEU 12 9.410 -4.315 -10.174 84 HG LEU 12 HG LEU 12 7.818 -4.153 -8.337 85 HD11 LEU 12 1HD1 LEU 12 9.155 -5.232 -6.585 86 HD12 LEU 12 2HD1 LEU 12 10.634 -4.704 -7.389 87 HD13 LEU 12 3HD1 LEU 12 9.554 -5.846 -8.189 88 HD21 LEU 12 3HD2 LEU 12 8.195 -1.840 -7.671 89 HD22 LEU 12 1HD2 LEU 12 9.793 -2.257 -7.055 90 HD23 LEU 12 2HD2 LEU 12 8.349 -2.923 -6.288 91 H ALA 13 H ALA 13 10.891 -1.627 -11.684 92 HA ALA 13 HA ALA 13 11.843 -3.493 -13.531 93 HB1 ALA 13 3HB ALA 13 12.350 -1.573 -14.970 94 HB2 ALA 13 1HB ALA 13 12.176 -0.489 -13.589 95 HB3 ALA 13 2HB ALA 13 10.782 -1.388 -14.187 96 H GLN 14 H GLN 14 13.676 -1.010 -11.724 97 HA GLN 14 HA GLN 14 16.235 -1.793 -12.653 98 HB2 GLN 14 2HB GLN 14 15.410 -0.291 -10.161 99 HB3 GLN 14 3HB GLN 14 17.079 -0.487 -10.682 100 HG2 GLN 14 2HG GLN 14 16.550 0.685 -12.774 101 HG3 GLN 14 3HG GLN 14 14.893 0.907 -12.219 102 HE21 GLN 14 1HE2 GLN 14 17.023 2.839 -12.893 103 HE22 GLN 14 2HE2 GLN 14 17.162 3.855 -11.509 104 H GLU 15 H GLU 15 14.360 -2.745 -9.794 105 HA GLU 15 HA GLU 15 16.235 -4.347 -8.503 106 HB2 GLU 15 2HB GLU 15 13.234 -4.649 -8.746 107 HB3 GLU 15 3HB GLU 15 14.213 -5.664 -7.696 108 HG2 GLU 15 2HG GLU 15 14.044 -2.659 -7.503 109 HG3 GLU 15 3HG GLU 15 13.102 -3.786 -6.528 110 H HIS 16 H HIS 16 13.994 -5.214 -11.134 111 HA HIS 16 HA HIS 16 14.810 -7.895 -11.385 112 HB2 HIS 16 2HB HIS 16 13.482 -5.971 -13.273 113 HB3 HIS 16 3HB HIS 16 13.962 -7.573 -13.822 114 HD1 HIS 16 HD1 HIS 16 12.843 -9.626 -12.524 115 HD2 HIS 16 HD2 HIS 16 11.120 -5.904 -11.839 116 HE1 HIS 16 HE1 HIS 16 10.593 -10.100 -11.526 117 HE2 HIS 16 HE2 HIS 16 9.658 -7.841 -10.938 118 H LEU 17 H LEU 17 16.095 -4.945 -12.934 119 HA LEU 17 HA LEU 17 18.032 -6.167 -14.558 120 HB2 LEU 17 2HB LEU 17 18.082 -3.507 -13.124 121 HB3 LEU 17 3HB LEU 17 19.315 -4.002 -14.269 122 HG LEU 17 HG LEU 17 16.379 -3.633 -14.911 123 HD11 LEU 17 1HD1 LEU 17 18.760 -1.920 -15.630 124 HD12 LEU 17 2HD1 LEU 17 17.507 -1.513 -14.457 125 HD13 LEU 17 3HD1 LEU 17 17.097 -1.670 -16.164 126 HD21 LEU 17 3HD2 LEU 17 17.411 -5.360 -16.294 127 HD22 LEU 17 1HD2 LEU 17 18.722 -4.260 -16.719 128 HD23 LEU 17 2HD2 LEU 17 17.074 -3.917 -17.246 129 H LYS 18 H LYS 18 18.148 -5.265 -11.144 130 HA LYS 18 HA LYS 18 20.827 -6.008 -10.633 131 HB2 LYS 18 2HB LYS 18 18.428 -5.951 -8.785 132 HB3 LYS 18 3HB LYS 18 20.101 -6.100 -8.257 133 HG2 LYS 18 2HG LYS 18 20.631 -3.913 -8.960 134 HG3 LYS 18 3HG LYS 18 19.144 -3.771 -9.899 135 HD2 LYS 18 2HD LYS 18 19.054 -2.491 -7.797 136 HD3 LYS 18 3HD LYS 18 17.819 -3.748 -7.872 137 HE2 LYS 18 2HE LYS 18 19.226 -5.198 -6.469 138 HE3 LYS 18 3HE LYS 18 20.447 -3.926 -6.386 139 HZ1 LYS 18 3HZ LYS 18 18.952 -2.536 -5.203 140 HZ2 LYS 18 1HZ LYS 18 18.932 -4.044 -4.438 141 HZ3 LYS 18 2HZ LYS 18 17.653 -3.588 -5.449 142 H HIS 19 H HIS 19 17.843 -7.863 -10.735 143 HA HIS 19 HA HIS 19 19.166 -10.329 -9.916 144 HB2 HIS 19 2HB HIS 19 16.334 -9.722 -10.807 145 HB3 HIS 19 3HB HIS 19 16.899 -11.347 -10.432 146 HD1 HIS 19 HD1 HIS 19 16.168 -12.013 -8.183 147 HD2 HIS 19 HD2 HIS 19 17.077 -7.964 -8.339 148 HE1 HIS 19 HE1 HIS 19 15.746 -11.143 -5.872 149 HE2 HIS 19 HE2 HIS 19 16.156 -8.669 -6.029 150 H ASP 20 H ASP 20 19.548 -8.651 -12.557 151 HA ASP 20 HA ASP 20 20.358 -9.074 -14.623 152 HB2 ASP 20 2HB ASP 20 21.521 -10.951 -13.392 153 HB3 ASP 20 3HB ASP 20 20.238 -12.020 -13.950 154 H ASN 21 H ASN 21 17.338 -9.546 -13.799 155 HA ASN 21 HA ASN 21 16.252 -10.950 -16.056 156 HB2 ASN 21 2HB ASN 21 14.967 -9.021 -14.105 157 HB3 ASN 21 3HB ASN 21 14.088 -9.966 -15.301 158 HD21 ASN 21 1HD2 ASN 21 15.462 -12.390 -15.048 159 HD22 ASN 21 2HD2 ASN 21 15.133 -13.039 -13.482 160 H ALA 22 H ALA 22 17.779 -9.588 -17.517 161 HA ALA 22 HA ALA 22 17.312 -6.870 -18.035 162 HB1 ALA 22 3HB ALA 22 18.505 -7.264 -20.149 163 HB2 ALA 22 1HB ALA 22 18.364 -9.005 -19.896 164 HB3 ALA 22 2HB ALA 22 19.318 -8.025 -18.782 165 H SER 23 H SER 23 15.993 -9.752 -19.675 166 HA SER 23 HA SER 23 14.440 -8.347 -21.581 167 HB2 SER 23 2HB SER 23 15.014 -10.714 -21.876 168 HB3 SER 23 3HB SER 23 14.045 -11.139 -20.466 169 HG SER 23 HG SER 23 13.266 -10.641 -23.045 170 H ARG 24 H ARG 24 13.540 -9.775 -18.436 171 HA ARG 24 HA ARG 24 10.806 -9.070 -18.536 172 HB2 ARG 24 2HB ARG 24 12.573 -9.513 -16.119 173 HB3 ARG 24 3HB ARG 24 10.820 -9.438 -16.081 174 HG2 ARG 24 2HG ARG 24 12.514 -11.518 -17.454 175 HG3 ARG 24 3HG ARG 24 11.512 -11.737 -16.020 176 HD2 ARG 24 2HD ARG 24 9.511 -11.207 -17.392 177 HD3 ARG 24 3HD ARG 24 10.549 -11.100 -18.813 178 HE ARG 24 HE ARG 24 10.547 -13.596 -17.295 179 HH11 ARG 24 1HH1 ARG 24 9.537 -11.887 -20.116 180 HH12 ARG 24 2HH1 ARG 24 9.181 -13.335 -20.989 181 HH21 ARG 24 1HH2 ARG 24 10.079 -15.425 -18.421 182 HH22 ARG 24 2HH2 ARG 24 9.485 -15.317 -20.042 183 H ALA 25 H ALA 25 13.610 -7.351 -17.190 184 HA ALA 25 HA ALA 25 12.153 -5.158 -16.127 185 HB1 ALA 25 3HB ALA 25 15.037 -5.239 -17.024 186 HB2 ALA 25 1HB ALA 25 14.446 -5.699 -15.427 187 HB3 ALA 25 2HB ALA 25 14.302 -4.028 -15.972 188 H LEU 26 H LEU 26 13.696 -5.739 -19.269 189 HA LEU 26 HA LEU 26 13.341 -3.232 -20.437 190 HB2 LEU 26 2HB LEU 26 14.640 -5.061 -21.447 191 HB3 LEU 26 3HB LEU 26 13.161 -5.951 -21.746 192 HG LEU 26 HG LEU 26 12.422 -4.222 -23.330 193 HD11 LEU 26 1HD1 LEU 26 13.944 -2.445 -24.036 194 HD12 LEU 26 2HD1 LEU 26 15.101 -2.933 -22.796 195 HD13 LEU 26 3HD1 LEU 26 13.525 -2.290 -22.331 196 HD21 LEU 26 3HD2 LEU 26 13.707 -6.134 -24.153 197 HD22 LEU 26 1HD2 LEU 26 15.206 -5.236 -23.904 198 HD23 LEU 26 2HD2 LEU 26 14.033 -4.685 -25.103 199 H ALA 27 H ALA 27 11.118 -6.022 -20.420 200 HA ALA 27 HA ALA 27 8.990 -4.856 -21.815 201 HB1 ALA 27 3HB ALA 27 9.133 -7.253 -21.292 202 HB2 ALA 27 1HB ALA 27 7.585 -6.572 -20.795 203 HB3 ALA 27 2HB ALA 27 8.832 -6.898 -19.591 204 H LEU 28 H LEU 28 9.895 -4.570 -18.413 205 HA LEU 28 HA LEU 28 7.554 -3.158 -17.593 206 HB2 LEU 28 2HB LEU 28 10.311 -3.395 -16.393 207 HB3 LEU 28 3HB LEU 28 9.045 -2.437 -15.649 208 HG LEU 28 HG LEU 28 8.888 -5.416 -16.168 209 HD11 LEU 28 1HD1 LEU 28 10.513 -4.887 -14.423 210 HD12 LEU 28 2HD1 LEU 28 9.078 -5.650 -13.741 211 HD13 LEU 28 3HD1 LEU 28 9.307 -3.909 -13.583 212 HD21 LEU 28 3HD2 LEU 28 6.859 -5.341 -14.817 213 HD22 LEU 28 1HD2 LEU 28 6.697 -4.308 -16.237 214 HD23 LEU 28 2HD2 LEU 28 7.011 -3.590 -14.656 215 H PHE 29 H PHE 29 10.854 -2.021 -18.426 216 HA PHE 29 HA PHE 29 10.335 0.723 -18.137 217 HB2 PHE 29 2HB PHE 29 12.365 -0.782 -19.780 218 HB3 PHE 29 3HB PHE 29 12.287 0.975 -19.801 219 HD1 PHE 29 HD1 PHE 29 12.452 2.182 -17.534 220 HD2 PHE 29 HD2 PHE 29 13.614 -1.871 -18.135 221 HE1 PHE 29 HE1 PHE 29 13.874 2.295 -15.529 222 HE2 PHE 29 HE2 PHE 29 15.034 -1.764 -16.129 223 HZ PHE 29 HZ PHE 29 15.169 0.319 -14.823 224 H GLU 30 H GLU 30 10.127 -1.314 -21.069 225 HA GLU 30 HA GLU 30 9.296 0.742 -22.813 226 HB2 GLU 30 2HB GLU 30 8.776 -2.242 -22.947 227 HB3 GLU 30 3HB GLU 30 8.468 -1.118 -24.263 228 HG2 GLU 30 2HG GLU 30 10.880 -0.512 -24.251 229 HG3 GLU 30 3HG GLU 30 11.148 -1.748 -23.026 230 H GLU 31 H GLU 31 7.475 -1.348 -20.616 231 HA GLU 31 HA GLU 31 4.877 -0.487 -21.353 232 HB2 GLU 31 2HB GLU 31 5.301 -2.479 -19.948 233 HB3 GLU 31 3HB GLU 31 5.877 -1.439 -18.652 234 HG2 GLU 31 2HG GLU 31 3.616 -0.385 -18.580 235 HG3 GLU 31 3HG GLU 31 3.075 -1.580 -19.757 236 H LEU 32 H LEU 32 7.211 0.726 -18.968 237 HA LEU 32 HA LEU 32 5.708 2.694 -17.717 238 HB2 LEU 32 2HB LEU 32 8.643 2.693 -18.430 239 HB3 LEU 32 3HB LEU 32 7.903 3.875 -17.367 240 HG LEU 32 HG LEU 32 8.015 0.898 -16.837 241 HD11 LEU 32 1HD1 LEU 32 9.614 3.156 -15.622 242 HD12 LEU 32 2HD1 LEU 32 10.230 1.920 -16.719 243 HD13 LEU 32 3HD1 LEU 32 9.658 1.465 -15.115 244 HD21 LEU 32 3HD2 LEU 32 7.251 1.523 -14.585 245 HD22 LEU 32 1HD2 LEU 32 6.065 1.936 -15.823 246 HD23 LEU 32 2HD2 LEU 32 7.078 3.196 -15.116 247 H VAL 33 H VAL 33 7.300 2.806 -20.861 248 HA VAL 33 HA VAL 33 7.112 5.573 -21.340 249 HB VAL 33 HB VAL 33 7.008 3.333 -23.382 250 HG11 VAL 33 1HG1 VAL 33 7.879 5.002 -24.963 251 HG12 VAL 33 2HG1 VAL 33 7.745 6.245 -23.719 252 HG13 VAL 33 3HG1 VAL 33 6.294 5.458 -24.339 253 HG21 VAL 33 3HG2 VAL 33 9.426 3.624 -23.569 254 HG22 VAL 33 1HG2 VAL 33 8.977 3.181 -21.923 255 HG23 VAL 33 2HG2 VAL 33 9.393 4.853 -22.305 256 H GLU 34 H GLU 34 4.821 2.947 -22.145 257 HA GLU 34 HA GLU 34 2.950 4.794 -23.350 258 HB2 GLU 34 2HB GLU 34 1.528 2.812 -23.688 259 HB3 GLU 34 3HB GLU 34 3.163 2.564 -24.281 260 HG2 GLU 34 2HG GLU 34 3.706 1.255 -22.304 261 HG3 GLU 34 3HG GLU 34 2.094 1.544 -21.653 262 H THR 35 H THR 35 3.314 3.283 -20.210 263 HA THR 35 HA THR 35 0.621 3.980 -19.353 264 HB THR 35 HB THR 35 1.254 3.053 -17.168 265 HG1 THR 35 HG1 THR 35 3.412 3.564 -16.984 266 HG21 THR 35 3HG2 THR 35 2.118 1.295 -19.475 267 HG22 THR 35 1HG2 THR 35 0.462 1.517 -18.909 268 HG23 THR 35 2HG2 THR 35 1.651 0.735 -17.868 269 H ASP 36 H ASP 36 3.936 5.072 -18.634 270 HA ASP 36 HA ASP 36 2.796 7.490 -17.382 271 HB2 ASP 36 2HB ASP 36 5.226 5.965 -16.406 272 HB3 ASP 36 3HB ASP 36 4.611 7.466 -15.720 273 HA PRO 37 HA PRO 37 5.813 8.569 -20.862 274 HB2 PRO 37 2HB PRO 37 3.703 10.602 -21.367 275 HB3 PRO 37 3HB PRO 37 4.544 9.545 -22.506 276 HG2 PRO 37 2HG PRO 37 2.004 9.078 -21.838 277 HG3 PRO 37 3HG PRO 37 3.145 7.740 -22.067 278 HD2 PRO 37 2HD PRO 37 2.149 8.962 -19.510 279 HD3 PRO 37 3HD PRO 37 2.389 7.250 -19.922 280 H ASP 38 H ASP 38 4.231 10.235 -18.294 281 HA ASP 38 HA ASP 38 5.618 12.714 -18.403 282 HB2 ASP 38 2HB ASP 38 3.592 12.709 -17.201 283 HB3 ASP 38 3HB ASP 38 4.025 11.260 -16.302 284 H TYR 39 H TYR 39 6.436 9.578 -17.056 285 HA TYR 39 HA TYR 39 8.383 10.628 -15.207 286 HB2 TYR 39 2HB TYR 39 7.004 8.432 -15.001 287 HB3 TYR 39 3HB TYR 39 8.241 7.736 -16.044 288 HD1 TYR 39 HD1 TYR 39 7.534 9.123 -12.720 289 HD2 TYR 39 HD2 TYR 39 10.519 7.397 -15.220 290 HE1 TYR 39 HE1 TYR 39 8.979 8.794 -10.761 291 HE2 TYR 39 HE2 TYR 39 11.971 7.064 -13.265 292 HH TYR 39 HH TYR 39 10.867 7.372 -10.077 293 H VAL 40 H VAL 40 9.875 11.788 -16.402 294 HA VAL 40 HA VAL 40 11.097 11.036 -18.793 295 HB VAL 40 HB VAL 40 12.324 12.744 -16.614 296 HG11 VAL 40 1HG1 VAL 40 13.540 13.821 -18.481 297 HG12 VAL 40 2HG1 VAL 40 12.879 12.612 -19.584 298 HG13 VAL 40 3HG1 VAL 40 13.964 12.121 -18.283 299 HG21 VAL 40 3HG2 VAL 40 10.073 13.519 -17.225 300 HG22 VAL 40 1HG2 VAL 40 10.550 13.570 -18.923 301 HG23 VAL 40 2HG2 VAL 40 11.314 14.653 -17.757 302 H GLY 41 H GLY 41 12.035 10.280 -15.467 303 HA2 GLY 41 2HA GLY 41 14.555 9.200 -15.793 304 HA3 GLY 41 3HA GLY 41 13.381 8.608 -14.631 305 H THR 42 H THR 42 11.471 7.745 -16.649 306 HA THR 42 HA THR 42 12.272 5.112 -17.155 307 HB THR 42 HB THR 42 10.172 6.782 -18.564 308 HG1 THR 42 HG1 THR 42 8.786 5.907 -17.102 309 HG21 THR 42 3HG2 THR 42 10.608 3.789 -18.675 310 HG22 THR 42 1HG2 THR 42 10.823 4.924 -20.009 311 HG23 THR 42 2HG2 THR 42 9.216 4.644 -19.340 312 H TYR 43 H TYR 43 12.177 7.907 -19.364 313 HA TYR 43 HA TYR 43 13.026 6.575 -21.683 314 HB2 TYR 43 2HB TYR 43 13.401 9.484 -20.919 315 HB3 TYR 43 3HB TYR 43 13.577 8.832 -22.545 316 HD1 TYR 43 HD2 TYR 43 11.122 9.353 -19.803 317 HD2 TYR 43 HD1 TYR 43 11.687 8.581 -23.954 318 HE1 TYR 43 HE2 TYR 43 8.725 9.717 -20.192 319 HE2 TYR 43 HE1 TYR 43 9.288 8.946 -24.349 320 HH TYR 43 HH TYR 43 7.217 10.282 -21.940 321 H TYR 44 H TYR 44 14.916 8.315 -19.221 322 HA TYR 44 HA TYR 44 17.404 8.066 -20.557 323 HB2 TYR 44 2HB TYR 44 16.935 9.739 -18.772 324 HB3 TYR 44 3HB TYR 44 16.937 8.436 -17.586 325 HD1 TYR 44 HD2 TYR 44 19.059 10.239 -20.045 326 HD2 TYR 44 HD1 TYR 44 18.995 7.620 -16.685 327 HE1 TYR 44 HE2 TYR 44 21.496 10.472 -19.822 328 HE2 TYR 44 HE1 TYR 44 21.433 7.846 -16.458 329 HH TYR 44 HH TYR 44 23.240 10.208 -18.175 330 H HIS 45 H HIS 45 16.003 6.185 -17.847 331 HA HIS 45 HA HIS 45 18.250 4.428 -17.663 332 HB2 HIS 45 2HB HIS 45 15.460 4.293 -16.515 333 HB3 HIS 45 3HB HIS 45 16.664 3.038 -16.223 334 HD1 HIS 45 HD1 HIS 45 18.536 3.555 -14.567 335 HD2 HIS 45 HD2 HIS 45 16.045 6.804 -15.285 336 HE1 HIS 45 HE1 HIS 45 19.156 5.269 -12.849 337 HE2 HIS 45 HE2 HIS 45 17.744 7.272 -13.391 338 H LEU 46 H LEU 46 15.139 4.203 -19.343 339 HA LEU 46 HA LEU 46 15.431 1.547 -20.274 340 HB2 LEU 46 2HB LEU 46 13.293 2.651 -20.429 341 HB3 LEU 46 3HB LEU 46 13.962 3.923 -21.433 342 HG LEU 46 HG LEU 46 14.277 2.339 -23.274 343 HD11 LEU 46 1HD1 LEU 46 13.011 0.287 -21.459 344 HD12 LEU 46 2HD1 LEU 46 14.695 0.311 -21.975 345 HD13 LEU 46 3HD1 LEU 46 13.414 0.063 -23.161 346 HD21 LEU 46 3HD2 LEU 46 11.489 2.277 -22.115 347 HD22 LEU 46 1HD2 LEU 46 11.914 1.939 -23.793 348 HD23 LEU 46 2HD2 LEU 46 12.171 3.550 -23.127 349 H GLY 47 H GLY 47 16.506 4.668 -21.574 350 HA2 GLY 47 2HA GLY 47 17.691 3.780 -23.950 351 HA3 GLY 47 3HA GLY 47 18.210 5.179 -23.023 352 H LYS 48 H LYS 48 19.153 4.093 -20.701 353 HA LYS 48 HA LYS 48 21.707 3.141 -21.322 354 HB2 LYS 48 2HB LYS 48 20.266 2.612 -18.712 355 HB3 LYS 48 3HB LYS 48 22.001 2.699 -18.970 356 HG2 LYS 48 2HG LYS 48 20.042 4.984 -19.131 357 HG3 LYS 48 3HG LYS 48 21.212 4.689 -17.851 358 HD2 LYS 48 2HD LYS 48 21.942 5.242 -20.733 359 HD3 LYS 48 3HD LYS 48 21.870 6.473 -19.477 360 HE2 LYS 48 2HE LYS 48 24.143 5.896 -19.636 361 HE3 LYS 48 3HE LYS 48 23.563 5.061 -18.199 362 HZ1 LYS 48 3HZ LYS 48 23.774 3.767 -20.861 363 HZ2 LYS 48 1HZ LYS 48 23.510 3.012 -19.368 364 HZ3 LYS 48 2HZ LYS 48 25.007 3.719 -19.706 365 H LEU 49 H LEU 49 18.763 1.365 -20.467 366 HA LEU 49 HA LEU 49 19.929 -1.222 -20.427 367 HB2 LEU 49 2HB LEU 49 17.758 -0.719 -19.397 368 HB3 LEU 49 3HB LEU 49 17.069 -0.401 -20.978 369 HG LEU 49 HG LEU 49 17.277 -2.741 -21.606 370 HD11 LEU 49 1HD1 LEU 49 18.115 -4.424 -20.028 371 HD12 LEU 49 2HD1 LEU 49 18.569 -3.146 -18.900 372 HD13 LEU 49 3HD1 LEU 49 19.373 -3.267 -20.466 373 HD21 LEU 49 3HD2 LEU 49 16.094 -2.438 -18.841 374 HD22 LEU 49 1HD2 LEU 49 15.745 -3.743 -19.978 375 HD23 LEU 49 2HD2 LEU 49 15.280 -2.086 -20.366 376 H TYR 50 H TYR 50 18.365 0.670 -23.006 377 HA TYR 50 HA TYR 50 18.550 -1.240 -25.056 378 HB2 TYR 50 2HB TYR 50 18.529 1.769 -25.072 379 HB3 TYR 50 3HB TYR 50 18.753 0.871 -26.566 380 HD1 TYR 50 HD2 TYR 50 16.885 -1.404 -26.147 381 HD2 TYR 50 HD1 TYR 50 16.412 2.747 -25.318 382 HE1 TYR 50 HE2 TYR 50 14.453 -1.636 -26.415 383 HE2 TYR 50 HE1 TYR 50 13.978 2.527 -25.591 384 HH TYR 50 HH TYR 50 12.403 -0.534 -25.819 385 H GLU 51 H GLU 51 20.893 1.293 -24.095 386 HA GLU 51 HA GLU 51 22.952 0.775 -25.861 387 HB2 GLU 51 2HB GLU 51 23.190 1.444 -22.912 388 HB3 GLU 51 3HB GLU 51 24.512 1.527 -24.065 389 HG2 GLU 51 2HG GLU 51 23.246 3.243 -25.331 390 HG3 GLU 51 3HG GLU 51 22.015 3.210 -24.070 391 H ARG 52 H ARG 52 22.261 -0.884 -22.799 392 HA ARG 52 HA ARG 52 24.449 -2.639 -22.759 393 HB2 ARG 52 2HB ARG 52 22.876 -2.209 -20.863 394 HB3 ARG 52 3HB ARG 52 21.660 -3.165 -21.698 395 HG2 ARG 52 2HG ARG 52 23.254 -5.104 -21.610 396 HG3 ARG 52 3HG ARG 52 24.290 -4.119 -20.577 397 HD2 ARG 52 2HD ARG 52 22.338 -3.864 -19.015 398 HD3 ARG 52 3HD ARG 52 21.468 -5.037 -20.003 399 HE ARG 52 HE ARG 52 23.863 -5.585 -18.390 400 HH11 ARG 52 1HH1 ARG 52 21.187 -6.742 -20.214 401 HH12 ARG 52 2HH1 ARG 52 21.336 -8.354 -19.608 402 HH21 ARG 52 1HH2 ARG 52 24.033 -7.638 -17.614 403 HH22 ARG 52 2HH2 ARG 52 22.901 -8.845 -18.130 404 H LEU 53 H LEU 53 21.217 -3.032 -24.180 405 HA LEU 53 HA LEU 53 21.811 -5.696 -25.173 406 HB2 LEU 53 2HB LEU 53 19.401 -3.928 -25.624 407 HB3 LEU 53 3HB LEU 53 19.517 -5.626 -26.051 408 HG LEU 53 HG LEU 53 19.598 -4.512 -23.237 409 HD11 LEU 53 1HD1 LEU 53 17.412 -5.581 -22.988 410 HD12 LEU 53 2HD1 LEU 53 17.439 -6.034 -24.692 411 HD13 LEU 53 3HD1 LEU 53 17.390 -4.332 -24.233 412 HD21 LEU 53 3HD2 LEU 53 19.462 -6.868 -22.536 413 HD22 LEU 53 1HD2 LEU 53 20.949 -6.531 -23.422 414 HD23 LEU 53 2HD2 LEU 53 19.620 -7.374 -24.218 415 H ASP 54 H ASP 54 23.165 -3.117 -26.195 416 HA ASP 54 HA ASP 54 24.116 -2.390 -28.116 417 HB2 ASP 54 2HB ASP 54 24.452 -4.873 -28.448 418 HB3 ASP 54 3HB ASP 54 23.004 -4.865 -29.451 419 H ARG 55 H ARG 55 21.068 -2.164 -27.538 420 HA ARG 55 HA ARG 55 19.974 -1.495 -30.140 421 HB2 ARG 55 2HB ARG 55 18.848 -1.024 -27.365 422 HB3 ARG 55 3HB ARG 55 17.958 -0.921 -28.876 423 HG2 ARG 55 2HG ARG 55 19.261 -3.450 -27.885 424 HG3 ARG 55 3HG ARG 55 17.587 -3.010 -27.540 425 HD2 ARG 55 2HD ARG 55 18.785 -3.384 -30.288 426 HD3 ARG 55 3HD ARG 55 17.748 -4.542 -29.450 427 HE ARG 55 HE ARG 55 16.925 -2.122 -30.789 428 HH11 ARG 55 1HH1 ARG 55 16.055 -4.538 -28.483 429 HH12 ARG 55 2HH1 ARG 55 14.373 -4.132 -28.531 430 HH21 ARG 55 1HH2 ARG 55 14.755 -1.618 -30.837 431 HH22 ARG 55 2HH2 ARG 55 13.650 -2.518 -29.854 432 H THR 56 H THR 56 22.153 0.002 -30.014 433 HA THR 56 HA THR 56 22.191 2.363 -28.533 434 HB THR 56 HB THR 56 23.406 1.873 -31.266 435 HG1 THR 56 HG1 THR 56 24.844 0.746 -30.206 436 HG21 THR 56 3HG2 THR 56 25.003 3.655 -30.649 437 HG22 THR 56 1HG2 THR 56 24.077 3.964 -29.179 438 HG23 THR 56 2HG2 THR 56 23.352 4.266 -30.759 439 H ASP 57 H ASP 57 21.036 1.918 -31.898 440 HA ASP 57 HA ASP 57 20.280 4.617 -32.277 441 HB2 ASP 57 2HB ASP 57 20.639 3.026 -34.131 442 HB3 ASP 57 3HB ASP 57 19.202 2.136 -33.640 443 H ASP 58 H ASP 58 18.503 1.784 -31.128 444 HA ASP 58 HA ASP 58 15.954 2.952 -30.889 445 HB2 ASP 58 2HB ASP 58 17.130 0.806 -29.102 446 HB3 ASP 58 3HB ASP 58 15.424 1.093 -29.434 447 H ALA 59 H ALA 59 18.709 2.843 -28.658 448 HA ALA 59 HA ALA 59 17.517 4.170 -26.474 449 HB1 ALA 59 3HB ALA 59 19.820 4.657 -25.758 450 HB2 ALA 59 1HB ALA 59 20.413 4.154 -27.343 451 HB3 ALA 59 2HB ALA 59 19.641 2.981 -26.277 452 H ILE 60 H ILE 60 19.519 5.448 -29.137 453 HA ILE 60 HA ILE 60 19.528 8.143 -28.496 454 HB ILE 60 HB ILE 60 19.407 6.926 -31.268 455 HG12 ILE 60 2HG1 ILE 60 21.824 7.782 -29.647 456 HG13 ILE 60 3HG1 ILE 60 21.274 6.118 -29.799 457 HG21 ILE 60 1HG2 ILE 60 18.884 9.301 -31.353 458 HG22 ILE 60 2HG2 ILE 60 20.489 9.011 -32.025 459 HG23 ILE 60 3HG2 ILE 60 20.319 9.676 -30.398 460 HD11 ILE 60 3HD1 ILE 60 21.673 6.194 -32.200 461 HD12 ILE 60 1HD1 ILE 60 23.133 6.585 -31.290 462 HD13 ILE 60 2HD1 ILE 60 22.205 7.871 -32.062 463 H ASP 61 H ASP 61 17.186 6.455 -30.602 464 HA ASP 61 HA ASP 61 15.506 8.623 -31.138 465 HB2 ASP 61 2HB ASP 61 15.400 6.493 -32.347 466 HB3 ASP 61 3HB ASP 61 14.800 5.686 -30.902 467 H THR 62 H THR 62 15.307 6.232 -28.501 468 HA THR 62 HA THR 62 12.995 7.205 -27.248 469 HB THR 62 HB THR 62 15.388 5.843 -25.972 470 HG1 THR 62 HG1 THR 62 14.591 4.275 -27.183 471 HG21 THR 62 3HG2 THR 62 13.841 5.208 -24.170 472 HG22 THR 62 1HG2 THR 62 12.571 6.181 -24.916 473 HG23 THR 62 2HG2 THR 62 14.019 6.959 -24.274 474 H TYR 63 H TYR 63 16.407 8.147 -26.781 475 HA TYR 63 HA TYR 63 15.946 10.094 -24.783 476 HB2 TYR 63 2HB TYR 63 18.131 9.985 -26.882 477 HB3 TYR 63 3HB TYR 63 18.123 11.080 -25.506 478 HD1 TYR 63 HD2 TYR 63 17.383 9.443 -23.248 479 HD2 TYR 63 HD1 TYR 63 19.820 8.424 -26.589 480 HE1 TYR 63 HE2 TYR 63 18.542 7.755 -21.888 481 HE2 TYR 63 HE1 TYR 63 20.982 6.736 -25.234 482 HH TYR 63 HH TYR 63 21.416 6.177 -22.947 483 H ALA 64 H ALA 64 15.901 10.269 -28.316 484 HA ALA 64 HA ALA 64 15.753 13.030 -28.669 485 HB1 ALA 64 3HB ALA 64 14.454 10.900 -30.367 486 HB2 ALA 64 1HB ALA 64 16.127 11.443 -30.498 487 HB3 ALA 64 2HB ALA 64 14.809 12.554 -30.863 488 H GLN 65 H GLN 65 12.988 10.733 -28.547 489 HA GLN 65 HA GLN 65 11.023 12.795 -28.472 490 HB2 GLN 65 2HB GLN 65 10.769 10.257 -29.057 491 HB3 GLN 65 3HB GLN 65 10.544 10.045 -27.328 492 HG2 GLN 65 2HG GLN 65 8.883 11.960 -28.951 493 HG3 GLN 65 3HG GLN 65 8.456 10.264 -28.766 494 HE21 GLN 65 1HE2 GLN 65 9.298 10.053 -26.022 495 HE22 GLN 65 2HE2 GLN 65 8.139 10.923 -25.088 496 H GLY 66 H GLY 66 12.769 11.001 -26.000 497 HA2 GLY 66 2HA GLY 66 11.463 11.904 -23.700 498 HA3 GLY 66 3HA GLY 66 13.162 11.470 -23.791 499 H ILE 67 H ILE 67 13.897 13.522 -25.684 500 HA ILE 67 HA ILE 67 14.603 15.660 -24.080 501 HB ILE 67 HB ILE 67 14.251 15.441 -27.067 502 HG12 ILE 67 2HG1 ILE 67 16.715 15.651 -25.310 503 HG13 ILE 67 3HG1 ILE 67 16.081 14.166 -26.009 504 HG21 ILE 67 1HG2 ILE 67 15.421 17.825 -25.637 505 HG22 ILE 67 2HG2 ILE 67 13.869 17.797 -26.471 506 HG23 ILE 67 3HG2 ILE 67 15.362 17.573 -27.380 507 HD11 ILE 67 3HD1 ILE 67 17.150 16.520 -27.550 508 HD12 ILE 67 1HD1 ILE 67 16.525 15.025 -28.247 509 HD13 ILE 67 2HD1 ILE 67 17.985 14.996 -27.259 510 H GLU 68 H GLU 68 11.721 15.307 -26.120 511 HA GLU 68 HA GLU 68 10.724 17.930 -25.669 512 HB2 GLU 68 2HB GLU 68 9.192 15.443 -26.472 513 HB3 GLU 68 3HB GLU 68 8.625 17.103 -26.621 514 HG2 GLU 68 2HG GLU 68 10.704 17.464 -28.097 515 HG3 GLU 68 3HG GLU 68 10.782 15.704 -28.164 516 H VAL 69 H VAL 69 9.696 14.769 -24.275 517 HA VAL 69 HA VAL 69 7.862 15.919 -22.450 518 HB VAL 69 HB VAL 69 7.787 13.806 -21.299 519 HG11 VAL 69 1HG1 VAL 69 6.666 13.887 -23.450 520 HG12 VAL 69 2HG1 VAL 69 7.327 12.276 -23.166 521 HG13 VAL 69 3HG1 VAL 69 8.147 13.384 -24.268 522 HG21 VAL 69 3HG2 VAL 69 10.158 13.344 -21.059 523 HG22 VAL 69 1HG2 VAL 69 10.309 13.075 -22.796 524 HG23 VAL 69 2HG2 VAL 69 9.354 11.966 -21.811 525 H ALA 70 H ALA 70 11.317 15.601 -22.312 526 HA ALA 70 HA ALA 70 11.655 15.909 -19.503 527 HB1 ALA 70 3HB ALA 70 13.983 16.384 -20.017 528 HB2 ALA 70 1HB ALA 70 13.581 16.606 -21.723 529 HB3 ALA 70 2HB ALA 70 13.409 15.019 -20.975 530 H ARG 71 H ARG 71 11.774 18.248 -22.199 531 HA ARG 71 HA ARG 71 12.152 20.485 -20.428 532 HB2 ARG 71 2HB ARG 71 11.865 21.870 -22.461 533 HB3 ARG 71 3HB ARG 71 13.071 20.605 -22.658 534 HG2 ARG 71 2HG ARG 71 11.508 19.260 -23.932 535 HG3 ARG 71 3HG ARG 71 10.225 20.439 -23.656 536 HD2 ARG 71 2HD ARG 71 12.790 20.950 -25.170 537 HD3 ARG 71 3HD ARG 71 11.213 20.646 -25.900 538 HE ARG 71 HE ARG 71 11.257 22.864 -24.059 539 HH11 ARG 71 1HH1 ARG 71 11.683 21.895 -27.348 540 HH12 ARG 71 2HH1 ARG 71 11.395 23.490 -27.953 541 HH21 ARG 71 1HH2 ARG 71 10.907 24.882 -24.855 542 HH22 ARG 71 2HH2 ARG 71 10.959 25.160 -26.565 543 H GLU 72 H GLU 72 9.362 18.893 -21.836 544 HA GLU 72 HA GLU 72 7.576 21.099 -21.202 545 HB2 GLU 72 2HB GLU 72 6.987 18.319 -22.245 546 HB3 GLU 72 3HB GLU 72 5.805 19.612 -22.087 547 HG2 GLU 72 2HG GLU 72 7.035 20.951 -23.720 548 HG3 GLU 72 3HG GLU 72 8.246 19.678 -23.862 549 H GLU 73 H GLU 73 7.910 17.698 -20.099 550 HA GLU 73 HA GLU 73 6.049 18.252 -17.902 551 HB2 GLU 73 2HB GLU 73 7.237 15.631 -18.847 552 HB3 GLU 73 3HB GLU 73 6.055 15.800 -17.556 553 HG2 GLU 73 2HG GLU 73 5.649 16.448 -20.472 554 HG3 GLU 73 3HG GLU 73 4.956 15.095 -19.579 555 H GLY 74 H GLY 74 9.385 17.145 -18.398 556 HA2 GLY 74 2HA GLY 74 9.866 16.991 -15.525 557 HA3 GLY 74 3HA GLY 74 11.013 16.613 -16.799 558 H THR 75 H THR 75 12.754 17.888 -16.543 559 HA THR 75 HA THR 75 12.393 20.781 -16.556 560 HB THR 75 HB THR 75 12.464 20.302 -14.158 561 HG1 THR 75 HG1 THR 75 14.729 21.440 -13.903 562 HG21 THR 75 3HG2 THR 75 15.178 19.070 -14.698 563 HG22 THR 75 1HG2 THR 75 13.724 18.188 -14.222 564 HG23 THR 75 2HG2 THR 75 14.459 19.341 -13.110 565 H GLN 76 H GLN 76 14.687 21.863 -16.513 566 HA GLN 76 HA GLN 76 15.972 21.133 -18.896 567 HB2 GLN 76 2HB GLN 76 15.984 23.417 -17.930 568 HB3 GLN 76 3HB GLN 76 17.055 22.862 -16.653 569 HG2 GLN 76 2HG GLN 76 18.382 23.995 -18.261 570 HG3 GLN 76 3HG GLN 76 18.733 22.275 -18.408 571 HE21 GLN 76 1HE2 GLN 76 15.863 23.863 -19.671 572 HE22 GLN 76 2HE2 GLN 76 16.250 23.628 -21.337 573 H LYS 77 H LYS 77 16.773 20.356 -15.536 574 HA LYS 77 HA LYS 77 19.344 19.350 -15.849 575 HB2 LYS 77 2HB LYS 77 18.321 19.659 -13.663 576 HB3 LYS 77 3HB LYS 77 17.145 18.397 -14.004 577 HG2 LYS 77 2HG LYS 77 18.930 16.732 -14.065 578 HG3 LYS 77 3HG LYS 77 20.125 17.994 -13.750 579 HD2 LYS 77 2HD LYS 77 19.115 18.448 -11.582 580 HD3 LYS 77 3HD LYS 77 17.836 17.275 -11.906 581 HE2 LYS 77 2HE LYS 77 19.501 15.481 -11.993 582 HE3 LYS 77 3HE LYS 77 20.784 16.649 -11.682 583 HZ1 LYS 77 3HZ LYS 77 18.537 16.076 -9.829 584 HZ2 LYS 77 1HZ LYS 77 19.850 17.097 -9.529 585 HZ3 LYS 77 2HZ LYS 77 20.093 15.432 -9.687 586 H ASP 78 H ASP 78 16.269 17.517 -16.075 587 HA ASP 78 HA ASP 78 17.406 15.074 -16.913 588 HB2 ASP 78 2HB ASP 78 14.651 16.217 -17.463 589 HB3 ASP 78 3HB ASP 78 15.115 14.537 -17.722 590 H LEU 79 H LEU 79 16.092 17.807 -18.732 591 HA LEU 79 HA LEU 79 16.281 16.885 -21.326 592 HB2 LEU 79 2HB LEU 79 15.227 18.989 -20.704 593 HB3 LEU 79 3HB LEU 79 16.779 19.663 -20.248 594 HG LEU 79 HG LEU 79 17.511 19.574 -22.602 595 HD11 LEU 79 1HD1 LEU 79 16.196 17.686 -23.361 596 HD12 LEU 79 2HD1 LEU 79 15.882 19.102 -24.363 597 HD13 LEU 79 3HD1 LEU 79 14.707 18.608 -23.143 598 HD21 LEU 79 3HD2 LEU 79 16.112 21.381 -23.427 599 HD22 LEU 79 1HD2 LEU 79 16.446 21.603 -21.710 600 HD23 LEU 79 2HD2 LEU 79 14.873 20.998 -22.232 601 H SER 80 H SER 80 18.830 18.429 -19.391 602 HA SER 80 HA SER 80 20.797 18.561 -21.411 603 HB2 SER 80 2HB SER 80 20.960 19.857 -19.328 604 HB3 SER 80 3HB SER 80 21.164 18.367 -18.406 605 HG SER 80 HG SER 80 23.127 19.602 -19.052 606 H GLU 81 H GLU 81 20.122 16.062 -18.969 607 HA GLU 81 HA GLU 81 22.392 14.462 -19.585 608 HB2 GLU 81 2HB GLU 81 19.817 13.777 -18.148 609 HB3 GLU 81 3HB GLU 81 21.204 12.698 -18.252 610 HG2 GLU 81 2HG GLU 81 22.577 14.424 -17.119 611 HG3 GLU 81 3HG GLU 81 21.129 15.412 -16.941 612 H LEU 82 H LEU 82 19.020 14.376 -20.708 613 HA LEU 82 HA LEU 82 19.206 11.980 -22.193 614 HB2 LEU 82 2HB LEU 82 17.462 14.408 -22.631 615 HB3 LEU 82 3HB LEU 82 17.259 12.886 -23.478 616 HG LEU 82 HG LEU 82 16.987 13.269 -20.489 617 HD11 LEU 82 1HD1 LEU 82 14.894 12.841 -22.617 618 HD12 LEU 82 2HD1 LEU 82 15.166 14.322 -21.696 619 HD13 LEU 82 3HD1 LEU 82 14.604 12.865 -20.876 620 HD21 LEU 82 3HD2 LEU 82 16.146 10.977 -20.479 621 HD22 LEU 82 1HD2 LEU 82 17.805 11.038 -21.072 622 HD23 LEU 82 2HD2 LEU 82 16.469 10.838 -22.207 623 H GLN 83 H GLN 83 19.704 15.367 -23.204 624 HA GLN 83 HA GLN 83 20.371 14.844 -25.887 625 HB2 GLN 83 2HB GLN 83 21.319 17.101 -24.101 626 HB3 GLN 83 3HB GLN 83 21.473 17.065 -25.852 627 HG2 GLN 83 2HG GLN 83 19.035 17.012 -26.068 628 HG3 GLN 83 3HG GLN 83 18.880 17.050 -24.313 629 HE21 GLN 83 1HE2 GLN 83 19.392 18.961 -23.212 630 HE22 GLN 83 2HE2 GLN 83 19.498 20.482 -24.023 631 H ASP 84 H ASP 84 22.450 15.114 -23.010 632 HA ASP 84 HA ASP 84 24.923 14.618 -24.244 633 HB2 ASP 84 2HB ASP 84 24.717 15.450 -21.949 634 HB3 ASP 84 3HB ASP 84 23.988 13.928 -21.443 635 H ALA 85 H ALA 85 22.524 12.388 -22.904 636 HA ALA 85 HA ALA 85 23.990 10.013 -23.093 637 HB1 ALA 85 3HB ALA 85 21.845 8.869 -22.894 638 HB2 ALA 85 1HB ALA 85 20.998 10.374 -23.251 639 HB3 ALA 85 2HB ALA 85 21.945 10.225 -21.771 640 H LYS 86 H LYS 86 21.797 11.529 -25.494 641 HA LYS 86 HA LYS 86 22.175 9.383 -27.367 642 HB2 LYS 86 2HB LYS 86 20.751 10.517 -28.811 643 HB3 LYS 86 3HB LYS 86 20.185 11.024 -27.229 644 HG2 LYS 86 2HG LYS 86 21.482 13.130 -27.496 645 HG3 LYS 86 3HG LYS 86 21.902 12.616 -29.132 646 HD2 LYS 86 2HD LYS 86 19.359 12.391 -29.501 647 HD3 LYS 86 3HD LYS 86 19.199 13.346 -28.025 648 HE2 LYS 86 2HE LYS 86 19.088 14.841 -29.894 649 HE3 LYS 86 3HE LYS 86 20.637 15.093 -29.091 650 HZ1 LYS 86 3HZ LYS 86 20.909 15.020 -31.478 651 HZ2 LYS 86 1HZ LYS 86 20.193 13.491 -31.552 652 HZ3 LYS 86 2HZ LYS 86 21.682 13.692 -30.778 653 H LEU 87 H LEU 87 23.697 12.518 -26.839 654 HA LEU 87 HA LEU 87 25.132 12.835 -29.203 655 HB2 LEU 87 2HB LEU 87 24.989 14.575 -27.515 656 HB3 LEU 87 3HB LEU 87 25.895 13.595 -26.378 657 HG LEU 87 HG LEU 87 27.889 13.767 -27.843 658 HD11 LEU 87 1HD1 LEU 87 26.184 15.664 -29.463 659 HD12 LEU 87 2HD1 LEU 87 26.759 14.081 -29.989 660 HD13 LEU 87 3HD1 LEU 87 27.912 15.380 -29.681 661 HD21 LEU 87 3HD2 LEU 87 28.397 16.100 -27.342 662 HD22 LEU 87 1HD2 LEU 87 27.566 15.332 -25.989 663 HD23 LEU 87 2HD2 LEU 87 26.686 16.425 -27.060 664 H LYS 88 H LYS 88 26.247 11.228 -26.209 665 HA LYS 88 HA LYS 88 28.746 10.371 -27.137 666 HB2 LYS 88 2HB LYS 88 28.660 8.686 -25.333 667 HB3 LYS 88 3HB LYS 88 28.114 10.260 -24.765 668 HG2 LYS 88 2HG LYS 88 25.817 9.576 -24.881 669 HG3 LYS 88 3HG LYS 88 26.263 8.055 -25.650 670 HD2 LYS 88 2HD LYS 88 27.487 7.424 -23.572 671 HD3 LYS 88 3HD LYS 88 26.881 8.903 -22.814 672 HE2 LYS 88 2HE LYS 88 24.586 8.156 -23.159 673 HE3 LYS 88 3HE LYS 88 25.162 6.705 -23.977 674 HZ1 LYS 88 3HZ LYS 88 24.630 6.111 -21.781 675 HZ2 LYS 88 1HZ LYS 88 25.488 7.415 -21.121 676 HZ3 LYS 88 2HZ LYS 88 26.317 6.140 -21.859 677 H ALA 89 H ALA 89 25.568 8.828 -27.388 678 HA ALA 89 HA ALA 89 26.471 6.322 -28.350 679 HB1 ALA 89 3HB ALA 89 23.747 7.596 -28.623 680 HB2 ALA 89 1HB ALA 89 24.301 6.623 -27.259 681 HB3 ALA 89 2HB ALA 89 24.123 5.888 -28.853 682 H GLU 90 H GLU 90 25.291 9.230 -30.012 683 HA GLU 90 HA GLU 90 25.186 8.113 -32.612 684 HB2 GLU 90 2HB GLU 90 25.477 10.995 -31.733 685 HB3 GLU 90 3HB GLU 90 25.122 10.488 -33.379 686 HG2 GLU 90 2HG GLU 90 23.040 9.447 -32.602 687 HG3 GLU 90 3HG GLU 90 23.391 9.980 -30.960 688 H GLY 91 H GLY 91 27.899 8.738 -30.735 689 HA2 GLY 91 2HA GLY 91 29.608 9.018 -33.143 690 HA3 GLY 91 3HA GLY 91 30.042 9.629 -31.556 691 H LEU 92 H LEU 92 28.588 6.628 -31.165 692 HA LEU 92 HA LEU 92 30.998 5.449 -30.239 693 HB2 LEU 92 2HB LEU 92 28.298 4.214 -30.796 694 HB3 LEU 92 3HB LEU 92 29.620 3.365 -30.017 695 HG LEU 92 HG LEU 92 28.212 5.815 -28.933 696 HD11 LEU 92 1HD1 LEU 92 28.135 2.929 -28.047 697 HD12 LEU 92 2HD1 LEU 92 26.824 3.825 -28.817 698 HD13 LEU 92 3HD1 LEU 92 27.377 4.284 -27.208 699 HD21 LEU 92 3HD2 LEU 92 30.584 5.770 -28.304 700 HD22 LEU 92 1HD2 LEU 92 30.390 4.127 -27.690 701 HD23 LEU 92 2HD2 LEU 92 29.542 5.466 -26.915 702 H GLU 93 H GLU 93 28.906 4.269 -32.911 703 HA GLU 93 HA GLU 93 31.288 2.955 -34.040 704 HB2 GLU 93 2HB GLU 93 29.766 1.385 -35.120 705 HB3 GLU 93 3HB GLU 93 29.511 1.419 -33.386 706 HG2 GLU 93 2HG GLU 93 27.354 1.362 -34.156 707 HG3 GLU 93 3HG GLU 93 27.596 3.099 -33.977 708 H HIS 94 H HIS 94 30.606 2.511 -36.653 709 HA HIS 94 HA HIS 94 30.370 5.261 -37.704 710 HB2 HIS 94 2HB HIS 94 32.300 4.782 -39.218 711 HB3 HIS 94 3HB HIS 94 32.722 4.832 -37.510 712 HD1 HIS 94 HD1 HIS 94 33.238 2.495 -36.360 713 HD2 HIS 94 HD2 HIS 94 32.857 2.397 -40.500 714 HE1 HIS 94 HE1 HIS 94 34.200 0.290 -37.077 715 HE2 HIS 94 HE2 HIS 94 34.106 0.329 -39.587 716 H HIS 95 H HIS 95 28.161 3.891 -38.010 717 HA HIS 95 HA HIS 95 28.128 2.596 -40.634 718 HB2 HIS 95 2HB HIS 95 26.713 1.851 -38.640 719 HB3 HIS 95 3HB HIS 95 25.745 3.294 -38.898 720 HD1 HIS 95 HD1 HIS 95 26.161 -0.161 -39.997 721 HD2 HIS 95 HD2 HIS 95 24.320 3.268 -41.446 722 HE1 HIS 95 HE1 HIS 95 24.544 -0.955 -41.739 723 HE2 HIS 95 HE2 HIS 95 23.283 1.105 -42.420 724 H HIS 96 H HIS 96 27.546 5.686 -39.196 725 HA HIS 96 HA HIS 96 26.455 6.750 -41.735 726 HB2 HIS 96 2HB HIS 96 26.112 7.744 -38.894 727 HB3 HIS 96 3HB HIS 96 25.583 8.639 -40.313 728 HD1 HIS 96 HD1 HIS 96 23.398 7.946 -41.393 729 HD2 HIS 96 HD2 HIS 96 24.584 5.388 -38.338 730 HE1 HIS 96 HE1 HIS 96 21.425 6.455 -40.960 731 HE2 HIS 96 HE2 HIS 96 22.196 4.851 -39.185 732 H HIS 97 H HIS 97 29.327 6.358 -40.806 733 HA HIS 97 HA HIS 97 31.330 7.383 -41.079 734 HB2 HIS 97 2HB HIS 97 29.669 9.655 -42.180 735 HB3 HIS 97 3HB HIS 97 31.429 9.636 -42.185 736 HD1 HIS 97 HD1 HIS 97 32.587 8.207 -43.947 737 HD2 HIS 97 HD2 HIS 97 28.449 7.832 -43.986 738 HE1 HIS 97 HE1 HIS 97 32.045 6.973 -46.060 739 HE2 HIS 97 HE2 HIS 97 29.532 6.896 -46.135 740 H HIS 98 H HIS 98 28.898 9.049 -39.235 741 HA HIS 98 HA HIS 98 30.505 11.053 -38.068 742 HB2 HIS 98 2HB HIS 98 27.985 10.976 -38.109 743 HB3 HIS 98 3HB HIS 98 28.059 9.754 -36.844 744 HD1 HIS 98 HD1 HIS 98 28.233 10.587 -34.483 745 HD2 HIS 98 HD2 HIS 98 29.011 13.567 -37.272 746 HE1 HIS 98 HE1 HIS 98 28.355 12.721 -33.173 747 HE2 HIS 98 HE2 HIS 98 28.922 14.491 -34.860 748 H HIS 99 H HIS 99 31.932 11.017 -36.429 749 HA HIS 99 HA HIS 99 31.976 8.771 -34.554 750 HB2 HIS 99 2HB HIS 99 34.445 8.490 -34.873 751 HB3 HIS 99 3HB HIS 99 33.480 8.001 -36.260 752 HD1 HIS 99 HD1 HIS 99 33.323 9.992 -38.185 753 HD2 HIS 99 HD2 HIS 99 36.520 10.102 -35.535 754 HE1 HIS 99 HE1 HIS 99 35.050 11.437 -39.281 755 HE2 HIS 99 HE2 HIS 99 37.034 11.351 -37.742 Start of MODEL 12 1 H1 GLU 1 1H GLU 1 1.367 0.439 -1.849 2 H2 GLU 1 2H GLU 1 2.010 1.336 -3.138 3 H3 GLU 1 3H GLU 1 2.552 1.609 -1.559 4 HA GLU 1 HA GLU 1 4.129 0.325 -2.909 5 HB2 GLU 1 2HB GLU 1 2.925 -0.956 -0.452 6 HB3 GLU 1 3HB GLU 1 4.369 -1.589 -1.226 7 HG2 GLU 1 2HG GLU 1 5.289 -0.280 0.408 8 HG3 GLU 1 3HG GLU 1 5.262 0.849 -0.943 9 H ASP 2 H ASP 2 1.818 -0.046 -4.473 10 HA ASP 2 HA ASP 2 1.738 -2.954 -4.914 11 HB2 ASP 2 2HB ASP 2 0.101 -0.718 -6.157 12 HB3 ASP 2 3HB ASP 2 -0.116 -2.435 -6.474 13 HA PRO 3 HA PRO 3 4.281 -2.723 -8.646 14 HB2 PRO 3 2HB PRO 3 2.676 -4.060 -10.479 15 HB3 PRO 3 3HB PRO 3 3.761 -4.848 -9.329 16 HG2 PRO 3 2HG PRO 3 0.808 -4.379 -9.133 17 HG3 PRO 3 3HG PRO 3 1.750 -5.813 -8.681 18 HD2 PRO 3 2HD PRO 3 0.880 -4.085 -6.826 19 HD3 PRO 3 3HD PRO 3 2.469 -4.866 -6.681 20 H GLU 4 H GLU 4 1.114 -1.490 -8.432 21 HA GLU 4 HA GLU 4 0.884 -0.193 -10.953 22 HB2 GLU 4 2HB GLU 4 -0.485 0.535 -8.351 23 HB3 GLU 4 3HB GLU 4 -1.018 0.945 -9.977 24 HG2 GLU 4 2HG GLU 4 -1.437 -1.400 -10.461 25 HG3 GLU 4 3HG GLU 4 -0.834 -1.852 -8.868 26 H ASP 5 H ASP 5 2.167 0.794 -7.790 27 HA ASP 5 HA ASP 5 2.432 3.536 -8.210 28 HB2 ASP 5 2HB ASP 5 4.149 1.624 -6.613 29 HB3 ASP 5 3HB ASP 5 4.404 3.365 -6.602 30 HA PRO 6 HA PRO 6 5.091 3.738 -11.795 31 HB2 PRO 6 2HB PRO 6 6.115 6.288 -11.116 32 HB3 PRO 6 3HB PRO 6 4.750 5.939 -12.177 33 HG2 PRO 6 2HG PRO 6 4.765 6.716 -9.307 34 HG3 PRO 6 3HG PRO 6 3.584 7.099 -10.573 35 HD2 PRO 6 2HD PRO 6 3.055 5.274 -8.681 36 HD3 PRO 6 3HD PRO 6 2.502 5.047 -10.356 37 H PHE 7 H PHE 7 6.435 4.832 -8.648 38 HA PHE 7 HA PHE 7 9.138 4.387 -9.400 39 HB2 PHE 7 2HB PHE 7 8.559 5.875 -7.540 40 HB3 PHE 7 3HB PHE 7 7.924 4.507 -6.629 41 HD1 PHE 7 HD1 PHE 7 11.049 5.745 -8.238 42 HD2 PHE 7 HD2 PHE 7 9.329 3.328 -5.178 43 HE1 PHE 7 HE1 PHE 7 13.289 5.327 -7.312 44 HE2 PHE 7 HE2 PHE 7 11.568 2.911 -4.247 45 HZ PHE 7 HZ PHE 7 13.554 3.908 -5.313 46 H THR 8 H THR 8 6.735 2.294 -7.832 47 HA THR 8 HA THR 8 8.510 0.238 -7.042 48 HB THR 8 HB THR 8 5.585 -0.052 -7.801 49 HG1 THR 8 HG1 THR 8 5.125 0.512 -5.749 50 HG21 THR 8 3HG2 THR 8 7.357 -1.799 -6.074 51 HG22 THR 8 1HG2 THR 8 6.740 -2.212 -7.675 52 HG23 THR 8 2HG2 THR 8 5.624 -2.019 -6.322 53 H ARG 9 H ARG 9 6.333 0.368 -9.873 54 HA ARG 9 HA ARG 9 7.308 -1.915 -11.174 55 HB2 ARG 9 2HB ARG 9 6.321 -0.804 -13.256 56 HB3 ARG 9 3HB ARG 9 5.230 -1.064 -11.899 57 HG2 ARG 9 2HG ARG 9 5.751 1.349 -11.234 58 HG3 ARG 9 3HG ARG 9 6.463 1.515 -12.836 59 HD2 ARG 9 2HD ARG 9 3.648 0.518 -12.437 60 HD3 ARG 9 3HD ARG 9 4.030 2.236 -12.525 61 HE ARG 9 HE ARG 9 4.549 2.003 -14.777 62 HH11 ARG 9 1HH1 ARG 9 3.666 -1.042 -13.412 63 HH12 ARG 9 2HH1 ARG 9 3.434 -1.779 -14.962 64 HH21 ARG 9 1HH2 ARG 9 4.183 1.056 -16.739 65 HH22 ARG 9 2HH2 ARG 9 3.715 -0.610 -16.803 66 H TYR 10 H TYR 10 8.463 1.404 -11.239 67 HA TYR 10 HA TYR 10 10.337 1.149 -13.347 68 HB2 TYR 10 2HB TYR 10 9.583 3.317 -12.599 69 HB3 TYR 10 3HB TYR 10 10.190 3.022 -10.977 70 HD1 TYR 10 HD1 TYR 10 11.337 3.410 -14.511 71 HD2 TYR 10 HD2 TYR 10 12.322 3.765 -10.382 72 HE1 TYR 10 HE1 TYR 10 13.439 4.533 -15.111 73 HE2 TYR 10 HE2 TYR 10 14.427 4.885 -10.976 74 HH TYR 10 HH TYR 10 15.036 6.145 -14.005 75 H ALA 11 H ALA 11 10.780 0.998 -9.807 76 HA ALA 11 HA ALA 11 13.540 0.438 -9.836 77 HB1 ALA 11 3HB ALA 11 12.353 1.281 -7.861 78 HB2 ALA 11 1HB ALA 11 13.263 -0.186 -7.494 79 HB3 ALA 11 2HB ALA 11 11.513 -0.263 -7.708 80 H LEU 12 H LEU 12 10.738 -1.761 -9.589 81 HA LEU 12 HA LEU 12 12.140 -4.161 -9.344 82 HB2 LEU 12 2HB LEU 12 9.414 -3.424 -10.291 83 HB3 LEU 12 3HB LEU 12 9.987 -5.035 -10.679 84 HG LEU 12 HG LEU 12 8.631 -5.016 -8.629 85 HD11 LEU 12 1HD1 LEU 12 10.176 -6.248 -7.193 86 HD12 LEU 12 2HD1 LEU 12 11.544 -5.626 -8.116 87 HD13 LEU 12 3HD1 LEU 12 10.377 -6.703 -8.885 88 HD21 LEU 12 3HD2 LEU 12 9.463 -3.953 -6.586 89 HD22 LEU 12 1HD2 LEU 12 9.136 -2.760 -7.842 90 HD23 LEU 12 2HD2 LEU 12 10.797 -3.241 -7.495 91 H ALA 13 H ALA 13 11.379 -2.298 -12.248 92 HA ALA 13 HA ALA 13 12.111 -4.110 -14.223 93 HB1 ALA 13 3HB ALA 13 12.617 -2.172 -15.619 94 HB2 ALA 13 1HB ALA 13 12.648 -1.138 -14.189 95 HB3 ALA 13 2HB ALA 13 11.142 -1.910 -14.687 96 H GLN 14 H GLN 14 14.227 -1.860 -12.426 97 HA GLN 14 HA GLN 14 16.638 -2.778 -13.628 98 HB2 GLN 14 2HB GLN 14 16.231 -1.346 -10.992 99 HB3 GLN 14 3HB GLN 14 17.782 -1.578 -11.793 100 HG2 GLN 14 2HG GLN 14 16.811 -0.326 -13.763 101 HG3 GLN 14 3HG GLN 14 15.451 0.089 -12.723 102 HE21 GLN 14 1HE2 GLN 14 18.830 0.563 -13.358 103 HE22 GLN 14 2HE2 GLN 14 19.042 1.927 -12.316 104 H GLU 15 H GLU 15 14.869 -3.751 -10.713 105 HA GLU 15 HA GLU 15 16.727 -5.534 -9.624 106 HB2 GLU 15 2HB GLU 15 13.712 -5.832 -9.700 107 HB3 GLU 15 3HB GLU 15 14.793 -6.733 -8.647 108 HG2 GLU 15 2HG GLU 15 14.349 -3.754 -8.608 109 HG3 GLU 15 3HG GLU 15 13.709 -4.919 -7.453 110 H HIS 16 H HIS 16 14.340 -6.058 -12.217 111 HA HIS 16 HA HIS 16 14.840 -8.762 -12.717 112 HB2 HIS 16 2HB HIS 16 13.993 -6.520 -14.546 113 HB3 HIS 16 3HB HIS 16 14.221 -8.158 -15.147 114 HD1 HIS 16 HD1 HIS 16 12.474 -9.929 -14.472 115 HD2 HIS 16 HD2 HIS 16 11.701 -6.145 -12.946 116 HE1 HIS 16 HE1 HIS 16 10.114 -10.010 -13.635 117 HE2 HIS 16 HE2 HIS 16 9.648 -7.702 -12.769 118 H LEU 17 H LEU 17 16.483 -5.907 -14.128 119 HA LEU 17 HA LEU 17 18.393 -7.232 -15.667 120 HB2 LEU 17 2HB LEU 17 18.620 -4.651 -14.109 121 HB3 LEU 17 3HB LEU 17 19.844 -5.205 -15.236 122 HG LEU 17 HG LEU 17 16.978 -4.568 -15.964 123 HD11 LEU 17 1HD1 LEU 17 17.930 -2.617 -17.115 124 HD12 LEU 17 2HD1 LEU 17 19.512 -2.997 -16.430 125 HD13 LEU 17 3HD1 LEU 17 18.174 -2.547 -15.369 126 HD21 LEU 17 3HD2 LEU 17 17.952 -6.289 -17.393 127 HD22 LEU 17 1HD2 LEU 17 19.350 -5.257 -17.705 128 HD23 LEU 17 2HD2 LEU 17 17.751 -4.776 -18.275 129 H LYS 18 H LYS 18 18.564 -6.308 -12.238 130 HA LYS 18 HA LYS 18 21.120 -7.381 -11.692 131 HB2 LYS 18 2HB LYS 18 18.772 -7.018 -9.805 132 HB3 LYS 18 3HB LYS 18 20.459 -7.209 -9.331 133 HG2 LYS 18 2HG LYS 18 21.047 -5.097 -10.295 134 HG3 LYS 18 3HG LYS 18 19.452 -4.931 -11.035 135 HD2 LYS 18 2HD LYS 18 18.462 -4.881 -8.745 136 HD3 LYS 18 3HD LYS 18 20.099 -4.886 -8.083 137 HE2 LYS 18 2HE LYS 18 20.588 -2.783 -9.203 138 HE3 LYS 18 3HE LYS 18 18.995 -2.789 -9.958 139 HZ1 LYS 18 3HZ LYS 18 19.487 -2.669 -7.032 140 HZ2 LYS 18 1HZ LYS 18 17.982 -2.589 -7.799 141 HZ3 LYS 18 2HZ LYS 18 19.104 -1.339 -8.006 142 H HIS 19 H HIS 19 17.996 -8.855 -12.004 143 HA HIS 19 HA HIS 19 18.903 -11.412 -10.897 144 HB2 HIS 19 2HB HIS 19 16.206 -10.618 -12.043 145 HB3 HIS 19 3HB HIS 19 16.574 -12.148 -11.254 146 HD1 HIS 19 HD1 HIS 19 14.348 -10.807 -9.961 147 HD2 HIS 19 HD2 HIS 19 18.263 -9.767 -9.030 148 HE1 HIS 19 HE1 HIS 19 14.231 -9.685 -7.721 149 HE2 HIS 19 HE2 HIS 19 16.604 -9.058 -7.177 150 H ASP 20 H ASP 20 19.665 -10.043 -13.614 151 HA ASP 20 HA ASP 20 20.467 -10.791 -15.599 152 HB2 ASP 20 2HB ASP 20 21.184 -12.790 -14.334 153 HB3 ASP 20 3HB ASP 20 19.624 -13.540 -14.642 154 H ASN 21 H ASN 21 17.302 -10.720 -14.806 155 HA ASN 21 HA ASN 21 16.186 -11.831 -17.244 156 HB2 ASN 21 2HB ASN 21 14.930 -10.255 -14.984 157 HB3 ASN 21 3HB ASN 21 14.035 -10.892 -16.356 158 HD21 ASN 21 1HD2 ASN 21 15.254 -13.366 -16.629 159 HD22 ASN 21 2HD2 ASN 21 14.889 -14.324 -15.241 160 H ALA 22 H ALA 22 17.646 -10.399 -18.578 161 HA ALA 22 HA ALA 22 17.378 -7.585 -18.579 162 HB1 ALA 22 3HB ALA 22 18.594 -7.630 -20.686 163 HB2 ALA 22 1HB ALA 22 18.313 -9.366 -20.828 164 HB3 ALA 22 2HB ALA 22 19.322 -8.740 -19.523 165 H SER 23 H SER 23 15.963 -10.029 -20.772 166 HA SER 23 HA SER 23 14.492 -8.260 -22.384 167 HB2 SER 23 2HB SER 23 13.772 -11.117 -21.656 168 HB3 SER 23 3HB SER 23 13.129 -10.208 -23.022 169 HG SER 23 HG SER 23 15.148 -10.215 -23.965 170 H ARG 24 H ARG 24 13.534 -9.993 -19.429 171 HA ARG 24 HA ARG 24 10.883 -9.049 -19.304 172 HB2 ARG 24 2HB ARG 24 12.730 -9.925 -17.072 173 HB3 ARG 24 3HB ARG 24 11.003 -9.680 -16.891 174 HG2 ARG 24 2HG ARG 24 12.334 -11.718 -18.668 175 HG3 ARG 24 3HG ARG 24 11.506 -12.036 -17.145 176 HD2 ARG 24 2HD ARG 24 9.405 -11.227 -18.124 177 HD3 ARG 24 3HD ARG 24 10.235 -10.913 -19.647 178 HE ARG 24 HE ARG 24 10.419 -13.633 -18.704 179 HH11 ARG 24 1HH1 ARG 24 8.595 -11.404 -20.599 180 HH12 ARG 24 2HH1 ARG 24 7.894 -12.649 -21.572 181 HH21 ARG 24 1HH2 ARG 24 9.484 -15.211 -19.934 182 HH22 ARG 24 2HH2 ARG 24 8.380 -14.774 -21.195 183 H ALA 25 H ALA 25 13.906 -7.653 -18.131 184 HA ALA 25 HA ALA 25 12.741 -5.490 -16.697 185 HB1 ALA 25 3HB ALA 25 15.474 -5.664 -17.972 186 HB2 ALA 25 1HB ALA 25 15.055 -6.232 -16.355 187 HB3 ALA 25 2HB ALA 25 14.968 -4.513 -16.735 188 H LEU 26 H LEU 26 14.212 -5.651 -19.941 189 HA LEU 26 HA LEU 26 13.733 -3.070 -20.809 190 HB2 LEU 26 2HB LEU 26 15.093 -4.752 -22.000 191 HB3 LEU 26 3HB LEU 26 13.633 -5.608 -22.453 192 HG LEU 26 HG LEU 26 12.924 -3.704 -23.831 193 HD11 LEU 26 1HD1 LEU 26 13.937 -1.898 -22.533 194 HD12 LEU 26 2HD1 LEU 26 14.423 -1.814 -24.226 195 HD13 LEU 26 3HD1 LEU 26 15.543 -2.442 -23.017 196 HD21 LEU 26 3HD2 LEU 26 14.300 -5.461 -24.845 197 HD22 LEU 26 1HD2 LEU 26 15.761 -4.570 -24.412 198 HD23 LEU 26 2HD2 LEU 26 14.624 -3.891 -25.579 199 H ALA 27 H ALA 27 11.572 -5.887 -21.007 200 HA ALA 27 HA ALA 27 9.418 -4.735 -22.335 201 HB1 ALA 27 3HB ALA 27 8.048 -6.476 -21.321 202 HB2 ALA 27 1HB ALA 27 9.311 -6.799 -20.131 203 HB3 ALA 27 2HB ALA 27 9.601 -7.131 -21.839 204 H LEU 28 H LEU 28 10.133 -4.724 -18.836 205 HA LEU 28 HA LEU 28 7.828 -3.291 -18.052 206 HB2 LEU 28 2HB LEU 28 10.531 -3.615 -16.760 207 HB3 LEU 28 3HB LEU 28 9.247 -2.677 -16.017 208 HG LEU 28 HG LEU 28 9.139 -5.632 -16.663 209 HD11 LEU 28 1HD1 LEU 28 10.565 -5.123 -14.752 210 HD12 LEU 28 2HD1 LEU 28 9.081 -5.916 -14.232 211 HD13 LEU 28 3HD1 LEU 28 9.271 -4.175 -14.019 212 HD21 LEU 28 3HD2 LEU 28 7.083 -3.847 -15.351 213 HD22 LEU 28 1HD2 LEU 28 6.984 -5.604 -15.493 214 HD23 LEU 28 2HD2 LEU 28 6.950 -4.599 -16.942 215 H PHE 29 H PHE 29 11.133 -2.124 -18.806 216 HA PHE 29 HA PHE 29 10.657 0.597 -18.344 217 HB2 PHE 29 2HB PHE 29 12.558 -0.785 -20.242 218 HB3 PHE 29 3HB PHE 29 12.529 0.965 -20.045 219 HD1 PHE 29 HD2 PHE 29 12.803 1.853 -17.628 220 HD2 PHE 29 HD1 PHE 29 13.909 -2.074 -18.848 221 HE1 PHE 29 HE2 PHE 29 14.317 1.684 -15.698 222 HE2 PHE 29 HE1 PHE 29 15.426 -2.249 -16.921 223 HZ PHE 29 HZ PHE 29 15.632 -0.370 -15.343 224 H GLU 30 H GLU 30 10.181 -1.303 -21.321 225 HA GLU 30 HA GLU 30 9.212 0.813 -22.920 226 HB2 GLU 30 2HB GLU 30 8.603 -2.151 -23.060 227 HB3 GLU 30 3HB GLU 30 8.161 -0.987 -24.300 228 HG2 GLU 30 2HG GLU 30 10.565 -0.475 -24.618 229 HG3 GLU 30 3HG GLU 30 10.957 -1.731 -23.446 230 H GLU 31 H GLU 31 7.540 -1.450 -20.744 231 HA GLU 31 HA GLU 31 4.902 -0.580 -21.226 232 HB2 GLU 31 2HB GLU 31 5.572 -2.666 -19.978 233 HB3 GLU 31 3HB GLU 31 6.000 -1.650 -18.607 234 HG2 GLU 31 2HG GLU 31 3.623 -0.821 -18.610 235 HG3 GLU 31 3HG GLU 31 3.268 -2.061 -19.810 236 H LEU 32 H LEU 32 7.389 0.588 -19.002 237 HA LEU 32 HA LEU 32 5.888 2.368 -17.464 238 HB2 LEU 32 2HB LEU 32 8.771 2.528 -18.353 239 HB3 LEU 32 3HB LEU 32 8.064 3.601 -17.160 240 HG LEU 32 HG LEU 32 8.289 0.598 -16.862 241 HD11 LEU 32 1HD1 LEU 32 10.023 1.097 -15.206 242 HD12 LEU 32 2HD1 LEU 32 9.915 2.812 -15.609 243 HD13 LEU 32 3HD1 LEU 32 10.479 1.655 -16.816 244 HD21 LEU 32 3HD2 LEU 32 7.421 2.734 -14.908 245 HD22 LEU 32 1HD2 LEU 32 7.650 1.025 -14.533 246 HD23 LEU 32 2HD2 LEU 32 6.386 1.517 -15.656 247 H VAL 33 H VAL 33 7.537 2.919 -20.566 248 HA VAL 33 HA VAL 33 7.102 5.675 -20.775 249 HB VAL 33 HB VAL 33 7.240 3.678 -23.044 250 HG11 VAL 33 1HG1 VAL 33 6.387 5.854 -23.773 251 HG12 VAL 33 2HG1 VAL 33 8.007 5.563 -24.406 252 HG13 VAL 33 3HG1 VAL 33 7.777 6.655 -23.039 253 HG21 VAL 33 3HG2 VAL 33 9.638 4.215 -23.106 254 HG22 VAL 33 1HG2 VAL 33 9.169 3.484 -21.571 255 HG23 VAL 33 2HG2 VAL 33 9.444 5.224 -21.671 256 H GLU 34 H GLU 34 5.008 2.979 -21.788 257 HA GLU 34 HA GLU 34 3.045 4.773 -22.922 258 HB2 GLU 34 2HB GLU 34 1.725 2.755 -23.368 259 HB3 GLU 34 3HB GLU 34 3.374 2.602 -23.953 260 HG2 GLU 34 2HG GLU 34 3.944 1.218 -22.026 261 HG3 GLU 34 3HG GLU 34 2.304 1.394 -21.402 262 H THR 35 H THR 35 3.538 3.198 -19.836 263 HA THR 35 HA THR 35 0.849 3.833 -18.911 264 HB THR 35 HB THR 35 1.589 2.946 -16.718 265 HG1 THR 35 HG1 THR 35 3.801 3.441 -16.774 266 HG21 THR 35 3HG2 THR 35 1.900 0.605 -17.440 267 HG22 THR 35 1HG2 THR 35 2.199 1.166 -19.086 268 HG23 THR 35 2HG2 THR 35 0.619 1.415 -18.342 269 H ASP 36 H ASP 36 3.876 5.415 -19.035 270 HA ASP 36 HA ASP 36 2.771 7.779 -17.841 271 HB2 ASP 36 2HB ASP 36 3.555 6.408 -15.850 272 HB3 ASP 36 3HB ASP 36 5.196 6.596 -16.459 273 HA PRO 37 HA PRO 37 5.918 8.800 -20.985 274 HB2 PRO 37 2HB PRO 37 4.604 10.791 -22.179 275 HB3 PRO 37 3HB PRO 37 4.092 9.112 -22.397 276 HG2 PRO 37 2HG PRO 37 2.942 11.225 -20.606 277 HG3 PRO 37 3HG PRO 37 2.098 10.041 -21.622 278 HD2 PRO 37 2HD PRO 37 2.542 9.755 -18.898 279 HD3 PRO 37 3HD PRO 37 2.222 8.413 -20.015 280 H ASP 38 H ASP 38 5.007 10.378 -18.194 281 HA ASP 38 HA ASP 38 6.341 12.924 -18.745 282 HB2 ASP 38 2HB ASP 38 5.088 12.003 -16.151 283 HB3 ASP 38 3HB ASP 38 5.438 13.656 -16.648 284 H TYR 39 H TYR 39 6.818 9.966 -16.955 285 HA TYR 39 HA TYR 39 8.771 10.901 -15.130 286 HB2 TYR 39 2HB TYR 39 7.285 8.843 -14.937 287 HB3 TYR 39 3HB TYR 39 8.404 8.040 -16.031 288 HD1 TYR 39 HD1 TYR 39 9.269 10.408 -13.289 289 HD2 TYR 39 HD2 TYR 39 9.283 6.362 -14.625 290 HE1 TYR 39 HE1 TYR 39 10.636 9.770 -11.349 291 HE2 TYR 39 HE2 TYR 39 10.648 5.724 -12.691 292 HH TYR 39 HH TYR 39 11.079 7.686 -10.017 293 H VAL 40 H VAL 40 10.439 11.947 -16.146 294 HA VAL 40 HA VAL 40 11.857 11.169 -18.418 295 HB VAL 40 HB VAL 40 12.935 12.708 -16.041 296 HG11 VAL 40 1HG1 VAL 40 14.486 13.718 -17.656 297 HG12 VAL 40 2HG1 VAL 40 13.861 12.655 -18.919 298 HG13 VAL 40 3HG1 VAL 40 14.717 11.972 -17.534 299 HG21 VAL 40 3HG2 VAL 40 10.884 13.720 -16.858 300 HG22 VAL 40 1HG2 VAL 40 11.500 13.694 -18.513 301 HG23 VAL 40 2HG2 VAL 40 12.269 14.722 -17.301 302 H GLY 41 H GLY 41 12.379 10.279 -15.032 303 HA2 GLY 41 2HA GLY 41 14.835 9.035 -15.118 304 HA3 GLY 41 3HA GLY 41 13.507 8.503 -14.101 305 H THR 42 H THR 42 11.756 7.750 -16.278 306 HA THR 42 HA THR 42 12.575 5.099 -16.786 307 HB THR 42 HB THR 42 10.493 6.758 -18.241 308 HG1 THR 42 HG1 THR 42 9.062 5.833 -16.804 309 HG21 THR 42 3HG2 THR 42 11.167 4.845 -19.604 310 HG22 THR 42 1HG2 THR 42 9.545 4.601 -18.957 311 HG23 THR 42 2HG2 THR 42 10.919 3.763 -18.234 312 H TYR 43 H TYR 43 12.435 7.916 -18.971 313 HA TYR 43 HA TYR 43 13.384 6.676 -21.286 314 HB2 TYR 43 2HB TYR 43 13.681 9.558 -20.397 315 HB3 TYR 43 3HB TYR 43 14.009 8.980 -22.028 316 HD1 TYR 43 HD1 TYR 43 11.356 9.579 -19.528 317 HD2 TYR 43 HD2 TYR 43 12.221 8.507 -23.559 318 HE1 TYR 43 HE1 TYR 43 8.997 9.924 -20.123 319 HE2 TYR 43 HE2 TYR 43 9.864 8.848 -24.159 320 HH TYR 43 HH TYR 43 7.623 10.355 -22.021 321 H TYR 44 H TYR 44 15.222 8.408 -18.774 322 HA TYR 44 HA TYR 44 17.732 8.280 -20.014 323 HB2 TYR 44 2HB TYR 44 17.167 9.724 -18.064 324 HB3 TYR 44 3HB TYR 44 17.171 8.294 -17.037 325 HD1 TYR 44 HD1 TYR 44 19.304 10.487 -19.128 326 HD2 TYR 44 HD2 TYR 44 19.224 7.367 -16.234 327 HE1 TYR 44 HE1 TYR 44 21.723 10.750 -18.786 328 HE2 TYR 44 HE2 TYR 44 21.640 7.624 -15.882 329 HH TYR 44 HH TYR 44 23.386 10.266 -16.925 330 H HIS 45 H HIS 45 16.268 6.029 -17.653 331 HA HIS 45 HA HIS 45 18.567 4.309 -17.630 332 HB2 HIS 45 2HB HIS 45 15.782 4.007 -16.512 333 HB3 HIS 45 3HB HIS 45 17.005 2.748 -16.362 334 HD1 HIS 45 HD1 HIS 45 17.600 2.850 -13.937 335 HD2 HIS 45 HD2 HIS 45 17.543 6.618 -15.691 336 HE1 HIS 45 HE1 HIS 45 18.471 4.420 -12.188 337 HE2 HIS 45 HE2 HIS 45 18.325 6.702 -13.229 338 H LEU 46 H LEU 46 15.509 4.320 -19.386 339 HA LEU 46 HA LEU 46 15.710 1.732 -20.512 340 HB2 LEU 46 2HB LEU 46 13.620 2.948 -20.571 341 HB3 LEU 46 3HB LEU 46 14.344 4.237 -21.514 342 HG LEU 46 HG LEU 46 14.555 2.760 -23.446 343 HD11 LEU 46 1HD1 LEU 46 14.956 0.660 -22.246 344 HD12 LEU 46 2HD1 LEU 46 13.674 0.500 -23.444 345 HD13 LEU 46 3HD1 LEU 46 13.270 0.634 -21.733 346 HD21 LEU 46 3HD2 LEU 46 11.776 2.594 -22.271 347 HD22 LEU 46 1HD2 LEU 46 12.205 2.469 -23.976 348 HD23 LEU 46 2HD2 LEU 46 12.442 3.991 -23.119 349 H GLY 47 H GLY 47 16.796 4.912 -21.698 350 HA2 GLY 47 2HA GLY 47 17.934 4.084 -24.119 351 HA3 GLY 47 3HA GLY 47 18.452 5.480 -23.186 352 H LYS 48 H LYS 48 19.492 4.372 -20.918 353 HA LYS 48 HA LYS 48 22.038 3.495 -21.643 354 HB2 LYS 48 2HB LYS 48 20.592 3.106 -19.009 355 HB3 LYS 48 3HB LYS 48 22.316 2.861 -19.249 356 HG2 LYS 48 2HG LYS 48 20.802 5.460 -19.477 357 HG3 LYS 48 3HG LYS 48 21.967 5.003 -18.232 358 HD2 LYS 48 2HD LYS 48 23.711 4.844 -20.015 359 HD3 LYS 48 3HD LYS 48 22.530 5.466 -21.167 360 HE2 LYS 48 2HE LYS 48 23.902 7.289 -20.451 361 HE3 LYS 48 3HE LYS 48 22.305 7.498 -19.730 362 HZ1 LYS 48 3HZ LYS 48 23.213 6.473 -17.680 363 HZ2 LYS 48 1HZ LYS 48 23.962 7.937 -18.082 364 HZ3 LYS 48 2HZ LYS 48 24.747 6.473 -18.391 365 H LEU 49 H LEU 49 19.166 1.591 -20.796 366 HA LEU 49 HA LEU 49 20.444 -0.935 -20.778 367 HB2 LEU 49 2HB LEU 49 18.189 -0.510 -19.843 368 HB3 LEU 49 3HB LEU 49 17.569 -0.301 -21.469 369 HG LEU 49 HG LEU 49 17.956 -2.637 -21.994 370 HD11 LEU 49 1HD1 LEU 49 18.880 -4.206 -20.362 371 HD12 LEU 49 2HD1 LEU 49 19.180 -2.879 -19.239 372 HD13 LEU 49 3HD1 LEU 49 20.052 -2.953 -20.771 373 HD21 LEU 49 3HD2 LEU 49 16.444 -3.703 -20.400 374 HD22 LEU 49 1HD2 LEU 49 15.875 -2.086 -20.820 375 HD23 LEU 49 2HD2 LEU 49 16.673 -2.368 -19.271 376 H TYR 50 H TYR 50 18.913 0.941 -23.376 377 HA TYR 50 HA TYR 50 19.301 -0.945 -25.442 378 HB2 TYR 50 2HB TYR 50 19.037 2.063 -25.472 379 HB3 TYR 50 3HB TYR 50 19.261 1.132 -26.948 380 HD1 TYR 50 HD1 TYR 50 17.574 -1.190 -26.611 381 HD2 TYR 50 HD2 TYR 50 16.843 2.842 -25.436 382 HE1 TYR 50 HE1 TYR 50 15.156 -1.584 -26.777 383 HE2 TYR 50 HE2 TYR 50 14.421 2.448 -25.597 384 HH TYR 50 HH TYR 50 12.872 0.940 -26.709 385 H GLU 51 H GLU 51 21.381 1.711 -24.284 386 HA GLU 51 HA GLU 51 23.519 1.451 -26.037 387 HB2 GLU 51 2HB GLU 51 23.581 2.085 -23.072 388 HB3 GLU 51 3HB GLU 51 24.943 2.309 -24.161 389 HG2 GLU 51 2HG GLU 51 23.650 3.948 -25.444 390 HG3 GLU 51 3HG GLU 51 22.282 3.719 -24.355 391 H ARG 52 H ARG 52 22.948 -0.308 -22.995 392 HA ARG 52 HA ARG 52 25.198 -1.984 -23.060 393 HB2 ARG 52 2HB ARG 52 23.826 -1.785 -21.069 394 HB3 ARG 52 3HB ARG 52 22.435 -2.461 -21.911 395 HG2 ARG 52 2HG ARG 52 23.558 -4.610 -22.100 396 HG3 ARG 52 3HG ARG 52 25.001 -3.946 -21.333 397 HD2 ARG 52 2HD ARG 52 23.826 -3.625 -19.261 398 HD3 ARG 52 3HD ARG 52 22.288 -4.059 -20.011 399 HE ARG 52 HE ARG 52 23.990 -6.220 -20.358 400 HH11 ARG 52 1HH1 ARG 52 22.601 -4.525 -17.702 401 HH12 ARG 52 2HH1 ARG 52 22.501 -5.935 -16.713 402 HH21 ARG 52 1HH2 ARG 52 23.850 -8.023 -19.077 403 HH22 ARG 52 2HH2 ARG 52 23.215 -7.885 -17.476 404 H LEU 53 H LEU 53 21.980 -2.402 -24.484 405 HA LEU 53 HA LEU 53 22.583 -5.034 -25.521 406 HB2 LEU 53 2HB LEU 53 20.216 -3.201 -25.934 407 HB3 LEU 53 3HB LEU 53 20.320 -4.837 -26.559 408 HG LEU 53 HG LEU 53 20.357 -4.094 -23.626 409 HD11 LEU 53 1HD1 LEU 53 18.152 -5.300 -25.302 410 HD12 LEU 53 2HD1 LEU 53 18.174 -3.676 -24.615 411 HD13 LEU 53 3HD1 LEU 53 18.117 -5.080 -23.552 412 HD21 LEU 53 3HD2 LEU 53 20.126 -6.500 -23.238 413 HD22 LEU 53 1HD2 LEU 53 21.622 -6.130 -24.095 414 HD23 LEU 53 2HD2 LEU 53 20.244 -6.798 -24.974 415 H ASP 54 H ASP 54 23.895 -2.328 -26.507 416 HA ASP 54 HA ASP 54 24.871 -1.587 -28.420 417 HB2 ASP 54 2HB ASP 54 25.452 -3.949 -28.793 418 HB3 ASP 54 3HB ASP 54 23.906 -4.214 -29.590 419 H ARG 55 H ARG 55 21.710 -1.657 -27.949 420 HA ARG 55 HA ARG 55 20.707 -1.079 -30.599 421 HB2 ARG 55 2HB ARG 55 19.384 -0.871 -27.885 422 HB3 ARG 55 3HB ARG 55 18.558 -0.685 -29.426 423 HG2 ARG 55 2HG ARG 55 19.893 -3.188 -28.394 424 HG3 ARG 55 3HG ARG 55 18.159 -2.891 -28.529 425 HD2 ARG 55 2HD ARG 55 20.150 -3.126 -30.787 426 HD3 ARG 55 3HD ARG 55 18.861 -4.260 -30.384 427 HE ARG 55 HE ARG 55 17.836 -1.658 -30.906 428 HH11 ARG 55 1HH1 ARG 55 19.029 -4.479 -32.468 429 HH12 ARG 55 2HH1 ARG 55 18.122 -4.194 -33.909 430 HH21 ARG 55 1HH2 ARG 55 16.705 -1.273 -32.738 431 HH22 ARG 55 2HH2 ARG 55 16.802 -2.391 -34.059 432 H THR 56 H THR 56 22.585 0.657 -30.495 433 HA THR 56 HA THR 56 22.327 3.093 -29.199 434 HB THR 56 HB THR 56 23.354 2.710 -32.031 435 HG1 THR 56 HG1 THR 56 25.263 2.814 -30.106 436 HG21 THR 56 3HG2 THR 56 24.023 4.786 -29.929 437 HG22 THR 56 1HG2 THR 56 23.088 5.068 -31.399 438 HG23 THR 56 2HG2 THR 56 24.795 4.636 -31.509 439 H ASP 57 H ASP 57 20.792 1.998 -32.188 440 HA ASP 57 HA ASP 57 19.685 4.393 -33.092 441 HB2 ASP 57 2HB ASP 57 19.722 2.295 -34.388 442 HB3 ASP 57 3HB ASP 57 18.538 1.597 -33.292 443 H ASP 58 H ASP 58 18.156 1.905 -31.039 444 HA ASP 58 HA ASP 58 15.755 3.328 -30.598 445 HB2 ASP 58 2HB ASP 58 16.996 1.172 -28.867 446 HB3 ASP 58 3HB ASP 58 15.298 1.643 -28.901 447 H ALA 59 H ALA 59 18.772 3.110 -28.752 448 HA ALA 59 HA ALA 59 18.006 4.458 -26.432 449 HB1 ALA 59 3HB ALA 59 20.373 4.915 -26.085 450 HB2 ALA 59 1HB ALA 59 20.709 4.547 -27.776 451 HB3 ALA 59 2HB ALA 59 20.150 3.275 -26.691 452 H ILE 60 H ILE 60 19.594 5.842 -29.319 453 HA ILE 60 HA ILE 60 19.610 8.507 -28.478 454 HB ILE 60 HB ILE 60 19.501 7.417 -31.302 455 HG12 ILE 60 2HG1 ILE 60 21.849 8.302 -29.592 456 HG13 ILE 60 3HG1 ILE 60 21.426 6.631 -29.956 457 HG21 ILE 60 1HG2 ILE 60 18.833 9.773 -31.259 458 HG22 ILE 60 2HG2 ILE 60 20.420 9.584 -32.002 459 HG23 ILE 60 3HG2 ILE 60 20.287 10.177 -30.346 460 HD11 ILE 60 3HD1 ILE 60 21.840 7.059 -32.334 461 HD12 ILE 60 1HD1 ILE 60 23.262 7.377 -31.340 462 HD13 ILE 60 2HD1 ILE 60 22.292 8.719 -31.945 463 H ASP 61 H ASP 61 17.151 6.761 -30.387 464 HA ASP 61 HA ASP 61 15.477 8.998 -30.832 465 HB2 ASP 61 2HB ASP 61 15.416 6.797 -32.075 466 HB3 ASP 61 3HB ASP 61 14.579 6.113 -30.682 467 H THR 62 H THR 62 15.478 6.524 -28.280 468 HA THR 62 HA THR 62 13.213 7.371 -26.855 469 HB THR 62 HB THR 62 15.759 6.103 -25.796 470 HG1 THR 62 HG1 THR 62 14.622 4.775 -27.259 471 HG21 THR 62 3HG2 THR 62 14.535 7.198 -23.973 472 HG22 THR 62 1HG2 THR 62 14.419 5.442 -23.840 473 HG23 THR 62 2HG2 THR 62 13.056 6.372 -24.463 474 H TYR 63 H TYR 63 16.602 8.441 -26.626 475 HA TYR 63 HA TYR 63 16.189 10.333 -24.557 476 HB2 TYR 63 2HB TYR 63 18.312 10.224 -26.712 477 HB3 TYR 63 3HB TYR 63 18.331 11.361 -25.370 478 HD1 TYR 63 HD2 TYR 63 17.709 9.880 -23.028 479 HD2 TYR 63 HD1 TYR 63 19.926 8.588 -26.428 480 HE1 TYR 63 HE2 TYR 63 18.876 8.227 -21.634 481 HE2 TYR 63 HE1 TYR 63 21.098 6.932 -25.040 482 HH TYR 63 HH TYR 63 21.615 6.441 -22.795 483 H ALA 64 H ALA 64 15.858 10.553 -28.070 484 HA ALA 64 HA ALA 64 15.700 13.329 -28.370 485 HB1 ALA 64 3HB ALA 64 15.870 11.772 -30.255 486 HB2 ALA 64 1HB ALA 64 14.520 12.888 -30.459 487 HB3 ALA 64 2HB ALA 64 14.220 11.225 -29.952 488 H GLN 65 H GLN 65 12.942 11.047 -28.066 489 HA GLN 65 HA GLN 65 11.001 13.093 -27.700 490 HB2 GLN 65 2HB GLN 65 10.747 10.539 -28.330 491 HB3 GLN 65 3HB GLN 65 10.619 10.319 -26.593 492 HG2 GLN 65 2HG GLN 65 8.848 12.193 -28.159 493 HG3 GLN 65 3HG GLN 65 8.445 10.508 -27.855 494 HE21 GLN 65 1HE2 GLN 65 9.539 10.513 -25.162 495 HE22 GLN 65 2HE2 GLN 65 8.437 11.414 -24.192 496 H GLY 66 H GLY 66 13.008 11.212 -25.487 497 HA2 GLY 66 2HA GLY 66 11.901 11.965 -23.030 498 HA3 GLY 66 3HA GLY 66 13.591 11.570 -23.294 499 H ILE 67 H ILE 67 14.320 13.644 -25.009 500 HA ILE 67 HA ILE 67 14.999 15.758 -23.360 501 HB ILE 67 HB ILE 67 14.741 15.541 -26.355 502 HG12 ILE 67 2HG1 ILE 67 17.152 15.854 -24.543 503 HG13 ILE 67 3HG1 ILE 67 16.565 14.327 -25.190 504 HG21 ILE 67 1HG2 ILE 67 14.283 17.880 -25.856 505 HG22 ILE 67 2HG2 ILE 67 15.867 17.705 -26.610 506 HG23 ILE 67 3HG2 ILE 67 15.742 17.971 -24.873 507 HD11 ILE 67 3HD1 ILE 67 18.464 15.126 -26.455 508 HD12 ILE 67 1HD1 ILE 67 17.627 16.642 -26.796 509 HD13 ILE 67 2HD1 ILE 67 17.014 15.126 -27.459 510 H GLU 68 H GLU 68 12.192 15.462 -25.496 511 HA GLU 68 HA GLU 68 11.217 18.088 -25.216 512 HB2 GLU 68 2HB GLU 68 9.587 15.597 -25.772 513 HB3 GLU 68 3HB GLU 68 9.176 17.252 -26.211 514 HG2 GLU 68 2HG GLU 68 11.179 17.306 -27.682 515 HG3 GLU 68 3HG GLU 68 11.449 15.605 -27.310 516 H VAL 69 H VAL 69 10.115 15.087 -23.578 517 HA VAL 69 HA VAL 69 8.375 16.478 -21.795 518 HB VAL 69 HB VAL 69 8.124 14.388 -20.590 519 HG11 VAL 69 1HG1 VAL 69 8.244 13.957 -23.577 520 HG12 VAL 69 2HG1 VAL 69 6.887 14.625 -22.666 521 HG13 VAL 69 3HG1 VAL 69 7.365 12.943 -22.431 522 HG21 VAL 69 3HG2 VAL 69 10.442 13.650 -20.519 523 HG22 VAL 69 1HG2 VAL 69 10.425 13.358 -22.260 524 HG23 VAL 69 2HG2 VAL 69 9.418 12.378 -21.192 525 H ALA 70 H ALA 70 11.780 15.768 -21.700 526 HA ALA 70 HA ALA 70 12.195 15.981 -18.900 527 HB1 ALA 70 3HB ALA 70 13.843 14.986 -20.429 528 HB2 ALA 70 1HB ALA 70 14.547 16.257 -19.428 529 HB3 ALA 70 2HB ALA 70 14.154 16.579 -21.119 530 H ARG 71 H ARG 71 12.638 18.391 -21.509 531 HA ARG 71 HA ARG 71 13.333 20.508 -19.759 532 HB2 ARG 71 2HB ARG 71 12.904 21.997 -21.690 533 HB3 ARG 71 3HB ARG 71 13.938 20.632 -22.087 534 HG2 ARG 71 2HG ARG 71 12.150 19.514 -23.223 535 HG3 ARG 71 3HG ARG 71 10.980 20.714 -22.669 536 HD2 ARG 71 2HD ARG 71 13.319 21.263 -24.502 537 HD3 ARG 71 3HD ARG 71 11.643 21.064 -25.017 538 HE ARG 71 HE ARG 71 11.374 23.049 -23.285 539 HH11 ARG 71 1HH1 ARG 71 13.764 22.608 -25.732 540 HH12 ARG 71 2HH1 ARG 71 13.980 24.306 -25.976 541 HH21 ARG 71 1HH2 ARG 71 11.679 25.210 -23.590 542 HH22 ARG 71 2HH2 ARG 71 12.802 25.769 -24.779 543 H GLU 72 H GLU 72 10.209 19.374 -20.952 544 HA GLU 72 HA GLU 72 8.838 21.734 -19.949 545 HB2 GLU 72 2HB GLU 72 7.754 19.229 -21.250 546 HB3 GLU 72 3HB GLU 72 6.801 20.651 -20.844 547 HG2 GLU 72 2HG GLU 72 9.056 20.490 -22.839 548 HG3 GLU 72 3HG GLU 72 7.339 20.684 -23.190 549 H GLU 73 H GLU 73 8.701 18.219 -19.185 550 HA GLU 73 HA GLU 73 7.035 18.832 -16.856 551 HB2 GLU 73 2HB GLU 73 7.839 16.177 -18.067 552 HB3 GLU 73 3HB GLU 73 6.745 16.372 -16.702 553 HG2 GLU 73 2HG GLU 73 6.293 17.387 -19.508 554 HG3 GLU 73 3HG GLU 73 5.516 15.991 -18.763 555 H GLY 74 H GLY 74 10.275 17.707 -17.596 556 HA2 GLY 74 2HA GLY 74 10.828 17.190 -14.757 557 HA3 GLY 74 3HA GLY 74 11.906 16.853 -16.102 558 H THR 75 H THR 75 13.699 18.040 -15.921 559 HA THR 75 HA THR 75 13.459 20.935 -15.616 560 HB THR 75 HB THR 75 13.841 20.329 -13.313 561 HG1 THR 75 HG1 THR 75 15.079 22.065 -13.520 562 HG21 THR 75 3HG2 THR 75 14.743 18.078 -13.637 563 HG22 THR 75 1HG2 THR 75 15.810 19.035 -12.609 564 HG23 THR 75 2HG2 THR 75 16.229 18.759 -14.298 565 H GLN 76 H GLN 76 15.478 22.070 -16.112 566 HA GLN 76 HA GLN 76 16.614 21.162 -18.522 567 HB2 GLN 76 2HB GLN 76 16.369 23.544 -17.831 568 HB3 GLN 76 3HB GLN 76 17.663 23.312 -16.668 569 HG2 GLN 76 2HG GLN 76 19.252 22.914 -18.430 570 HG3 GLN 76 3HG GLN 76 17.976 22.949 -19.644 571 HE21 GLN 76 1HE2 GLN 76 17.019 24.938 -20.173 572 HE22 GLN 76 2HE2 GLN 76 17.770 26.444 -19.780 573 H LYS 77 H LYS 77 17.536 20.631 -15.229 574 HA LYS 77 HA LYS 77 20.263 19.962 -15.648 575 HB2 LYS 77 2HB LYS 77 19.278 20.507 -13.441 576 HB3 LYS 77 3HB LYS 77 18.390 18.989 -13.476 577 HG2 LYS 77 2HG LYS 77 20.418 17.719 -13.359 578 HG3 LYS 77 3HG LYS 77 21.400 19.171 -13.567 579 HD2 LYS 77 2HD LYS 77 19.587 18.588 -11.215 580 HD3 LYS 77 3HD LYS 77 21.345 18.433 -11.219 581 HE2 LYS 77 2HE LYS 77 21.555 20.838 -11.664 582 HE3 LYS 77 3HE LYS 77 19.799 20.993 -11.677 583 HZ1 LYS 77 3HZ LYS 77 19.794 20.245 -9.353 584 HZ2 LYS 77 1HZ LYS 77 20.666 21.675 -9.565 585 HZ3 LYS 77 2HZ LYS 77 21.482 20.207 -9.359 586 H ASP 78 H ASP 78 17.371 17.850 -15.338 587 HA ASP 78 HA ASP 78 18.698 15.469 -16.124 588 HB2 ASP 78 2HB ASP 78 15.776 16.256 -16.140 589 HB3 ASP 78 3HB ASP 78 16.336 14.654 -16.613 590 H LEU 79 H LEU 79 17.083 18.028 -17.911 591 HA LEU 79 HA LEU 79 17.013 16.960 -20.477 592 HB2 LEU 79 2HB LEU 79 16.064 19.133 -19.907 593 HB3 LEU 79 3HB LEU 79 17.662 19.778 -19.593 594 HG LEU 79 HG LEU 79 18.222 19.501 -21.995 595 HD11 LEU 79 1HD1 LEU 79 16.734 17.687 -22.565 596 HD12 LEU 79 2HD1 LEU 79 16.396 19.082 -23.589 597 HD13 LEU 79 3HD1 LEU 79 15.324 18.697 -22.242 598 HD21 LEU 79 3HD2 LEU 79 16.842 21.356 -22.809 599 HD22 LEU 79 1HD2 LEU 79 17.420 21.649 -21.169 600 HD23 LEU 79 2HD2 LEU 79 15.750 21.147 -21.439 601 H SER 80 H SER 80 19.719 18.574 -18.810 602 HA SER 80 HA SER 80 21.676 18.415 -20.790 603 HB2 SER 80 2HB SER 80 22.164 19.648 -18.788 604 HB3 SER 80 3HB SER 80 21.925 18.226 -17.774 605 HG SER 80 HG SER 80 24.105 18.919 -19.399 606 H GLU 81 H GLU 81 20.820 15.994 -18.329 607 HA GLU 81 HA GLU 81 22.760 14.079 -18.882 608 HB2 GLU 81 2HB GLU 81 19.919 13.750 -17.900 609 HB3 GLU 81 3HB GLU 81 21.094 12.444 -17.920 610 HG2 GLU 81 2HG GLU 81 21.442 15.029 -16.412 611 HG3 GLU 81 3HG GLU 81 20.829 13.531 -15.713 612 H LEU 82 H LEU 82 19.461 14.298 -20.246 613 HA LEU 82 HA LEU 82 19.669 11.986 -21.859 614 HB2 LEU 82 2HB LEU 82 17.884 14.398 -22.223 615 HB3 LEU 82 3HB LEU 82 17.678 12.851 -23.028 616 HG LEU 82 HG LEU 82 17.466 13.337 -20.047 617 HD11 LEU 82 1HD1 LEU 82 15.343 12.674 -22.088 618 HD12 LEU 82 2HD1 LEU 82 15.576 14.238 -21.304 619 HD13 LEU 82 3HD1 LEU 82 15.100 12.835 -20.349 620 HD21 LEU 82 3HD2 LEU 82 18.381 11.117 -20.566 621 HD22 LEU 82 1HD2 LEU 82 17.005 10.801 -21.625 622 HD23 LEU 82 2HD2 LEU 82 16.754 11.015 -19.891 623 H GLN 83 H GLN 83 20.283 15.413 -22.605 624 HA GLN 83 HA GLN 83 20.809 15.082 -25.362 625 HB2 GLN 83 2HB GLN 83 21.860 17.163 -23.428 626 HB3 GLN 83 3HB GLN 83 22.024 17.254 -25.178 627 HG2 GLN 83 2HG GLN 83 19.593 17.327 -25.409 628 HG3 GLN 83 3HG GLN 83 19.420 17.210 -23.658 629 HE21 GLN 83 1HE2 GLN 83 20.014 18.980 -22.384 630 HE22 GLN 83 2HE2 GLN 83 20.173 20.567 -23.044 631 H ASP 84 H ASP 84 23.028 15.167 -22.572 632 HA ASP 84 HA ASP 84 25.411 14.704 -23.991 633 HB2 ASP 84 2HB ASP 84 25.352 15.511 -21.672 634 HB3 ASP 84 3HB ASP 84 24.699 13.966 -21.137 635 H ALA 85 H ALA 85 23.093 12.450 -22.542 636 HA ALA 85 HA ALA 85 24.496 10.065 -22.844 637 HB1 ALA 85 3HB ALA 85 22.350 8.938 -22.687 638 HB2 ALA 85 1HB ALA 85 21.511 10.449 -23.047 639 HB3 ALA 85 2HB ALA 85 22.425 10.283 -21.547 640 H LYS 86 H LYS 86 22.143 11.509 -25.156 641 HA LYS 86 HA LYS 86 22.667 9.525 -27.149 642 HB2 LYS 86 2HB LYS 86 21.395 10.942 -28.685 643 HB3 LYS 86 3HB LYS 86 20.552 10.750 -27.156 644 HG2 LYS 86 2HG LYS 86 21.038 12.959 -26.484 645 HG3 LYS 86 3HG LYS 86 22.258 13.158 -27.744 646 HD2 LYS 86 2HD LYS 86 19.298 12.779 -28.263 647 HD3 LYS 86 3HD LYS 86 20.116 14.344 -28.229 648 HE2 LYS 86 2HE LYS 86 21.565 13.613 -30.078 649 HE3 LYS 86 3HE LYS 86 20.730 12.061 -30.112 650 HZ1 LYS 86 3HZ LYS 86 18.705 13.175 -30.728 651 HZ2 LYS 86 1HZ LYS 86 19.927 13.597 -31.816 652 HZ3 LYS 86 2HZ LYS 86 19.447 14.689 -30.618 653 H LEU 87 H LEU 87 24.005 12.709 -26.464 654 HA LEU 87 HA LEU 87 25.364 13.180 -28.864 655 HB2 LEU 87 2HB LEU 87 25.062 14.873 -27.109 656 HB3 LEU 87 3HB LEU 87 26.165 13.996 -26.065 657 HG LEU 87 HG LEU 87 28.002 14.414 -27.677 658 HD11 LEU 87 1HD1 LEU 87 25.964 16.108 -29.127 659 HD12 LEU 87 2HD1 LEU 87 26.682 14.605 -29.713 660 HD13 LEU 87 3HD1 LEU 87 27.691 16.031 -29.481 661 HD21 LEU 87 3HD2 LEU 87 26.562 16.893 -26.731 662 HD22 LEU 87 1HD2 LEU 87 28.262 16.802 -27.197 663 HD23 LEU 87 2HD2 LEU 87 27.685 15.915 -25.787 664 H LYS 88 H LYS 88 26.598 11.637 -25.880 665 HA LYS 88 HA LYS 88 29.134 10.977 -26.951 666 HB2 LYS 88 2HB LYS 88 29.446 9.601 -24.999 667 HB3 LYS 88 3HB LYS 88 28.597 11.056 -24.514 668 HG2 LYS 88 2HG LYS 88 27.391 9.510 -23.351 669 HG3 LYS 88 3HG LYS 88 26.467 9.527 -24.855 670 HD2 LYS 88 2HD LYS 88 27.935 7.583 -25.610 671 HD3 LYS 88 3HD LYS 88 28.501 7.490 -23.940 672 HE2 LYS 88 2HE LYS 88 25.623 7.255 -24.829 673 HE3 LYS 88 3HE LYS 88 26.677 5.904 -24.423 674 HZ1 LYS 88 3HZ LYS 88 25.795 8.056 -22.574 675 HZ2 LYS 88 1HZ LYS 88 26.865 6.806 -22.171 676 HZ3 LYS 88 2HZ LYS 88 25.262 6.448 -22.578 677 H ALA 89 H ALA 89 26.022 9.372 -27.067 678 HA ALA 89 HA ALA 89 26.903 6.824 -27.952 679 HB1 ALA 89 3HB ALA 89 24.224 8.146 -28.392 680 HB2 ALA 89 1HB ALA 89 24.686 7.213 -26.969 681 HB3 ALA 89 2HB ALA 89 24.576 6.423 -28.543 682 H GLU 90 H GLU 90 25.909 9.747 -29.689 683 HA GLU 90 HA GLU 90 25.835 8.838 -32.305 684 HB2 GLU 90 2HB GLU 90 26.785 11.492 -31.204 685 HB3 GLU 90 3HB GLU 90 26.511 11.200 -32.914 686 HG2 GLU 90 2HG GLU 90 24.308 10.681 -30.960 687 HG3 GLU 90 3HG GLU 90 24.674 12.334 -31.447 688 H GLY 91 H GLY 91 28.630 9.331 -30.270 689 HA2 GLY 91 2HA GLY 91 30.433 9.021 -32.589 690 HA3 GLY 91 3HA GLY 91 30.885 9.705 -31.038 691 H LEU 92 H LEU 92 28.989 6.832 -30.826 692 HA LEU 92 HA LEU 92 31.254 5.367 -29.775 693 HB2 LEU 92 2HB LEU 92 28.370 4.552 -30.161 694 HB3 LEU 92 3HB LEU 92 29.585 3.537 -29.406 695 HG LEU 92 HG LEU 92 28.571 6.189 -28.363 696 HD11 LEU 92 1HD1 LEU 92 27.677 4.842 -26.521 697 HD12 LEU 92 2HD1 LEU 92 28.233 3.374 -27.327 698 HD13 LEU 92 3HD1 LEU 92 26.984 4.372 -28.073 699 HD21 LEU 92 3HD2 LEU 92 30.942 5.939 -27.862 700 HD22 LEU 92 1HD2 LEU 92 30.649 4.330 -27.201 701 HD23 LEU 92 2HD2 LEU 92 29.974 5.749 -26.398 702 H GLU 93 H GLU 93 28.811 4.177 -32.129 703 HA GLU 93 HA GLU 93 30.749 2.469 -33.360 704 HB2 GLU 93 2HB GLU 93 28.937 1.990 -35.026 705 HB3 GLU 93 3HB GLU 93 28.495 1.680 -33.356 706 HG2 GLU 93 2HG GLU 93 27.127 3.625 -33.263 707 HG3 GLU 93 3HG GLU 93 27.751 4.215 -34.804 708 H HIS 94 H HIS 94 32.387 3.435 -34.389 709 HA HIS 94 HA HIS 94 32.280 5.894 -35.753 710 HB2 HIS 94 2HB HIS 94 34.243 3.621 -36.180 711 HB3 HIS 94 3HB HIS 94 34.478 5.294 -36.678 712 HD1 HIS 94 HD1 HIS 94 35.169 6.981 -34.869 713 HD2 HIS 94 HD2 HIS 94 34.528 3.147 -33.410 714 HE1 HIS 94 HE1 HIS 94 36.068 6.992 -32.527 715 HE2 HIS 94 HE2 HIS 94 35.434 4.743 -31.595 716 H HIS 95 H HIS 95 32.209 2.563 -37.059 717 HA HIS 95 HA HIS 95 31.140 3.564 -39.595 718 HB2 HIS 95 2HB HIS 95 31.820 0.758 -38.667 719 HB3 HIS 95 3HB HIS 95 31.129 1.132 -40.245 720 HD1 HIS 95 HD1 HIS 95 34.142 0.051 -39.244 721 HD2 HIS 95 HD2 HIS 95 33.064 3.577 -41.157 722 HE1 HIS 95 HE1 HIS 95 36.211 0.838 -40.418 723 HE2 HIS 95 HE2 HIS 95 35.566 3.015 -41.491 724 H HIS 96 H HIS 96 29.010 3.950 -39.738 725 HA HIS 96 HA HIS 96 27.325 3.327 -37.533 726 HB2 HIS 96 2HB HIS 96 26.888 4.771 -40.126 727 HB3 HIS 96 3HB HIS 96 25.524 4.391 -39.073 728 HD1 HIS 96 HD1 HIS 96 26.039 5.188 -36.438 729 HD2 HIS 96 HD2 HIS 96 27.963 7.190 -39.532 730 HE1 HIS 96 HE1 HIS 96 26.751 7.392 -35.472 731 HE2 HIS 96 HE2 HIS 96 27.719 8.662 -37.420 732 H HIS 97 H HIS 97 26.003 1.743 -37.160 733 HA HIS 97 HA HIS 97 25.256 -0.132 -39.302 734 HB2 HIS 97 2HB HIS 97 24.878 -0.411 -36.308 735 HB3 HIS 97 3HB HIS 97 24.670 -1.673 -37.519 736 HD1 HIS 97 HD1 HIS 97 27.213 0.000 -35.432 737 HD2 HIS 97 HD2 HIS 97 27.114 -2.646 -38.630 738 HE1 HIS 97 HE1 HIS 97 29.521 -0.971 -35.572 739 HE2 HIS 97 HE2 HIS 97 29.358 -2.731 -37.360 740 H HIS 98 H HIS 98 24.016 2.268 -37.120 741 HA HIS 98 HA HIS 98 21.335 1.969 -38.275 742 HB2 HIS 98 2HB HIS 98 21.934 2.063 -35.311 743 HB3 HIS 98 3HB HIS 98 20.334 2.309 -35.997 744 HD1 HIS 98 HD1 HIS 98 22.656 -0.327 -34.933 745 HD2 HIS 98 HD2 HIS 98 19.261 -0.025 -37.307 746 HE1 HIS 98 HE1 HIS 98 21.833 -2.677 -35.233 747 HE2 HIS 98 HE2 HIS 98 19.836 -2.481 -36.745 748 H HIS 99 H HIS 99 20.158 3.834 -38.462 749 HA HIS 99 HA HIS 99 20.551 6.282 -37.193 750 HB2 HIS 99 2HB HIS 99 22.765 6.261 -38.334 751 HB3 HIS 99 3HB HIS 99 21.945 6.170 -39.890 752 HD1 HIS 99 HD1 HIS 99 21.237 8.353 -40.931 753 HD2 HIS 99 HD2 HIS 99 22.318 8.774 -36.939 754 HE1 HIS 99 HE1 HIS 99 21.277 10.823 -40.503 755 HE2 HIS 99 HE2 HIS 99 21.818 11.052 -38.060 Start of MODEL 13 1 H1 GLU 1 1H GLU 1 2.954 -0.690 -0.262 2 H2 GLU 1 2H GLU 1 1.494 -0.039 -0.814 3 H3 GLU 1 3H GLU 1 2.678 0.973 -0.164 4 HA GLU 1 HA GLU 1 2.586 1.123 -2.571 5 HB2 GLU 1 2HB GLU 1 5.014 0.737 -2.986 6 HB3 GLU 1 3HB GLU 1 4.690 1.634 -1.509 7 HG2 GLU 1 2HG GLU 1 5.098 -0.328 -0.167 8 HG3 GLU 1 3HG GLU 1 5.275 -1.322 -1.611 9 H ASP 2 H ASP 2 2.065 0.131 -4.393 10 HA ASP 2 HA ASP 2 2.399 -2.797 -4.618 11 HB2 ASP 2 2HB ASP 2 0.465 -0.922 -6.019 12 HB3 ASP 2 3HB ASP 2 0.582 -2.653 -6.321 13 HA PRO 3 HA PRO 3 5.088 -2.417 -8.241 14 HB2 PRO 3 2HB PRO 3 3.017 -4.009 -9.706 15 HB3 PRO 3 3HB PRO 3 4.762 -4.267 -9.593 16 HG2 PRO 3 2HG PRO 3 3.091 -5.794 -8.198 17 HG3 PRO 3 3HG PRO 3 4.619 -5.242 -7.485 18 HD2 PRO 3 2HD PRO 3 1.832 -4.261 -6.996 19 HD3 PRO 3 3HD PRO 3 3.183 -4.439 -5.856 20 H GLU 4 H GLU 4 1.666 -1.805 -8.436 21 HA GLU 4 HA GLU 4 1.467 -0.490 -10.895 22 HB2 GLU 4 2HB GLU 4 -0.115 -0.043 -8.351 23 HB3 GLU 4 3HB GLU 4 -0.597 0.502 -9.954 24 HG2 GLU 4 2HG GLU 4 -0.822 -1.759 -10.723 25 HG3 GLU 4 3HG GLU 4 -0.148 -2.386 -9.220 26 H ASP 5 H ASP 5 2.455 0.736 -7.724 27 HA ASP 5 HA ASP 5 2.444 3.476 -8.252 28 HB2 ASP 5 2HB ASP 5 4.283 1.833 -6.492 29 HB3 ASP 5 3HB ASP 5 4.242 3.595 -6.489 30 HA PRO 6 HA PRO 6 5.185 4.007 -11.650 31 HB2 PRO 6 2HB PRO 6 6.260 6.488 -10.851 32 HB3 PRO 6 3HB PRO 6 4.823 6.234 -11.844 33 HG2 PRO 6 2HG PRO 6 5.036 6.758 -8.912 34 HG3 PRO 6 3HG PRO 6 3.812 7.314 -10.071 35 HD2 PRO 6 2HD PRO 6 3.272 5.334 -8.356 36 HD3 PRO 6 3HD PRO 6 2.669 5.275 -10.027 37 H PHE 7 H PHE 7 6.673 5.015 -8.542 38 HA PHE 7 HA PHE 7 9.333 4.581 -9.463 39 HB2 PHE 7 2HB PHE 7 8.777 6.174 -7.655 40 HB3 PHE 7 3HB PHE 7 8.329 4.826 -6.616 41 HD1 PHE 7 HD1 PHE 7 11.201 6.178 -8.569 42 HD2 PHE 7 HD2 PHE 7 9.934 3.858 -5.228 43 HE1 PHE 7 HE1 PHE 7 13.533 6.011 -7.802 44 HE2 PHE 7 HE2 PHE 7 12.265 3.691 -4.459 45 HZ PHE 7 HZ PHE 7 14.068 4.766 -5.747 46 H THR 8 H THR 8 6.971 2.498 -7.919 47 HA THR 8 HA THR 8 8.790 0.522 -6.965 48 HB THR 8 HB THR 8 5.902 0.063 -7.768 49 HG1 THR 8 HG1 THR 8 5.344 0.725 -5.733 50 HG21 THR 8 3HG2 THR 8 7.695 -1.368 -5.793 51 HG22 THR 8 1HG2 THR 8 7.174 -1.992 -7.359 52 HG23 THR 8 2HG2 THR 8 5.991 -1.723 -6.078 53 H ARG 9 H ARG 9 6.618 0.467 -9.808 54 HA ARG 9 HA ARG 9 7.766 -1.783 -11.048 55 HB2 ARG 9 2HB ARG 9 6.711 -0.789 -13.168 56 HB3 ARG 9 3HB ARG 9 5.638 -1.154 -11.823 57 HG2 ARG 9 2HG ARG 9 5.975 1.335 -11.181 58 HG3 ARG 9 3HG ARG 9 6.550 1.518 -12.837 59 HD2 ARG 9 2HD ARG 9 3.904 0.219 -12.220 60 HD3 ARG 9 3HD ARG 9 4.064 1.969 -12.334 61 HE ARG 9 HE ARG 9 4.484 1.772 -14.622 62 HH11 ARG 9 1HH1 ARG 9 3.933 -1.327 -13.198 63 HH12 ARG 9 2HH1 ARG 9 3.585 -2.066 -14.719 64 HH21 ARG 9 1HH2 ARG 9 4.032 0.813 -16.532 65 HH22 ARG 9 2HH2 ARG 9 3.644 -0.870 -16.593 66 H TYR 10 H TYR 10 8.622 1.627 -11.218 67 HA TYR 10 HA TYR 10 10.607 1.530 -13.202 68 HB2 TYR 10 2HB TYR 10 9.755 3.627 -12.376 69 HB3 TYR 10 3HB TYR 10 10.273 3.257 -10.739 70 HD1 TYR 10 HD1 TYR 10 11.487 4.143 -14.134 71 HD2 TYR 10 HD2 TYR 10 12.451 3.819 -9.995 72 HE1 TYR 10 HE1 TYR 10 13.569 5.394 -14.521 73 HE2 TYR 10 HE2 TYR 10 14.531 5.065 -10.377 74 HH TYR 10 HH TYR 10 15.120 6.893 -12.995 75 H ALA 11 H ALA 11 10.844 1.031 -9.684 76 HA ALA 11 HA ALA 11 13.631 0.550 -9.588 77 HB1 ALA 11 3HB ALA 11 12.310 1.162 -7.615 78 HB2 ALA 11 1HB ALA 11 13.216 -0.327 -7.348 79 HB3 ALA 11 2HB ALA 11 11.485 -0.395 -7.683 80 H LEU 12 H LEU 12 10.872 -1.737 -9.650 81 HA LEU 12 HA LEU 12 12.328 -4.113 -9.683 82 HB2 LEU 12 2HB LEU 12 9.617 -3.339 -10.662 83 HB3 LEU 12 3HB LEU 12 10.254 -4.893 -11.159 84 HG LEU 12 HG LEU 12 8.815 -5.123 -9.210 85 HD11 LEU 12 1HD1 LEU 12 11.719 -5.611 -8.541 86 HD12 LEU 12 2HD1 LEU 12 10.667 -6.684 -9.464 87 HD13 LEU 12 3HD1 LEU 12 10.332 -6.376 -7.761 88 HD21 LEU 12 3HD2 LEU 12 9.437 -4.178 -7.037 89 HD22 LEU 12 1HD2 LEU 12 9.117 -2.913 -8.223 90 HD23 LEU 12 2HD2 LEU 12 10.779 -3.316 -7.792 91 H ALA 13 H ALA 13 11.450 -2.000 -12.395 92 HA ALA 13 HA ALA 13 12.417 -3.553 -14.508 93 HB1 ALA 13 3HB ALA 13 12.635 -1.450 -15.738 94 HB2 ALA 13 1HB ALA 13 12.504 -0.544 -14.229 95 HB3 ALA 13 2HB ALA 13 11.133 -1.488 -14.815 96 H GLN 14 H GLN 14 14.145 -1.170 -12.493 97 HA GLN 14 HA GLN 14 16.685 -1.469 -13.674 98 HB2 GLN 14 2HB GLN 14 16.002 -0.714 -10.819 99 HB3 GLN 14 3HB GLN 14 17.561 -0.468 -11.593 100 HG2 GLN 14 2HG GLN 14 16.539 1.067 -13.197 101 HG3 GLN 14 3HG GLN 14 14.966 0.810 -12.444 102 HE21 GLN 14 1HE2 GLN 14 16.478 3.274 -12.767 103 HE22 GLN 14 2HE2 GLN 14 16.695 3.915 -11.182 104 H GLU 15 H GLU 15 15.231 -3.127 -10.870 105 HA GLU 15 HA GLU 15 17.397 -4.754 -10.179 106 HB2 GLU 15 2HB GLU 15 14.432 -5.328 -9.968 107 HB3 GLU 15 3HB GLU 15 15.681 -6.307 -9.213 108 HG2 GLU 15 2HG GLU 15 15.071 -3.415 -8.631 109 HG3 GLU 15 3HG GLU 15 14.703 -4.799 -7.603 110 H HIS 16 H HIS 16 14.778 -5.390 -12.521 111 HA HIS 16 HA HIS 16 15.594 -7.973 -13.262 112 HB2 HIS 16 2HB HIS 16 14.063 -5.847 -14.755 113 HB3 HIS 16 3HB HIS 16 14.422 -7.409 -15.483 114 HD1 HIS 16 HD1 HIS 16 13.631 -9.506 -13.734 115 HD2 HIS 16 HD2 HIS 16 11.636 -5.860 -13.547 116 HE1 HIS 16 HE1 HIS 16 11.422 -9.998 -12.655 117 HE2 HIS 16 HE2 HIS 16 10.179 -7.816 -12.695 118 H LEU 17 H LEU 17 16.601 -4.802 -14.531 119 HA LEU 17 HA LEU 17 18.294 -5.672 -16.583 120 HB2 LEU 17 2HB LEU 17 18.570 -3.286 -14.745 121 HB3 LEU 17 3HB LEU 17 19.536 -3.526 -16.190 122 HG LEU 17 HG LEU 17 16.535 -3.165 -16.122 123 HD11 LEU 17 1HD1 LEU 17 16.993 -1.005 -17.179 124 HD12 LEU 17 2HD1 LEU 17 18.727 -1.292 -17.020 125 HD13 LEU 17 3HD1 LEU 17 17.726 -1.111 -15.579 126 HD21 LEU 17 3HD2 LEU 17 17.243 -4.614 -17.954 127 HD22 LEU 17 1HD2 LEU 17 18.425 -3.406 -18.465 128 HD23 LEU 17 2HD2 LEU 17 16.699 -3.049 -18.556 129 H LYS 18 H LYS 18 18.845 -5.415 -13.121 130 HA LYS 18 HA LYS 18 21.634 -6.091 -13.191 131 HB2 LYS 18 2HB LYS 18 19.669 -6.250 -10.890 132 HB3 LYS 18 3HB LYS 18 21.424 -6.260 -10.761 133 HG2 LYS 18 2HG LYS 18 21.566 -3.990 -11.501 134 HG3 LYS 18 3HG LYS 18 19.850 -3.962 -11.912 135 HD2 LYS 18 2HD LYS 18 19.303 -4.305 -9.522 136 HD3 LYS 18 3HD LYS 18 21.025 -4.240 -9.141 137 HE2 LYS 18 2HE LYS 18 21.145 -1.948 -9.966 138 HE3 LYS 18 3HE LYS 18 19.446 -2.011 -10.437 139 HZ1 LYS 18 3HZ LYS 18 18.823 -2.234 -8.143 140 HZ2 LYS 18 1HZ LYS 18 19.818 -0.877 -8.304 141 HZ3 LYS 18 2HZ LYS 18 20.437 -2.306 -7.658 142 H HIS 19 H HIS 19 18.626 -7.878 -12.793 143 HA HIS 19 HA HIS 19 20.023 -10.396 -12.302 144 HB2 HIS 19 2HB HIS 19 17.080 -9.694 -12.412 145 HB3 HIS 19 3HB HIS 19 17.680 -11.328 -12.150 146 HD1 HIS 19 HD1 HIS 19 19.050 -11.713 -9.895 147 HD2 HIS 19 HD2 HIS 19 16.989 -8.113 -10.164 148 HE1 HIS 19 HE1 HIS 19 18.946 -10.815 -7.552 149 HE2 HIS 19 HE2 HIS 19 17.847 -8.564 -7.766 150 H ASP 20 H ASP 20 20.244 -8.985 -14.907 151 HA ASP 20 HA ASP 20 20.698 -9.669 -17.019 152 HB2 ASP 20 2HB ASP 20 21.351 -11.816 -15.997 153 HB3 ASP 20 3HB ASP 20 19.689 -12.383 -16.127 154 H ASN 21 H ASN 21 17.581 -9.602 -15.782 155 HA ASN 21 HA ASN 21 16.165 -10.524 -18.115 156 HB2 ASN 21 2HB ASN 21 15.228 -9.046 -15.649 157 HB3 ASN 21 3HB ASN 21 14.154 -9.591 -16.931 158 HD21 ASN 21 1HD2 ASN 21 15.522 -12.047 -17.434 159 HD22 ASN 21 2HD2 ASN 21 15.218 -13.082 -16.087 160 H ALA 22 H ALA 22 17.520 -9.040 -19.514 161 HA ALA 22 HA ALA 22 17.061 -6.244 -19.546 162 HB1 ALA 22 3HB ALA 22 18.087 -6.289 -21.767 163 HB2 ALA 22 1HB ALA 22 17.951 -8.048 -21.803 164 HB3 ALA 22 2HB ALA 22 19.005 -7.269 -20.624 165 H SER 23 H SER 23 15.576 -8.919 -21.372 166 HA SER 23 HA SER 23 13.873 -7.313 -22.968 167 HB2 SER 23 2HB SER 23 14.384 -9.634 -23.568 168 HB3 SER 23 3HB SER 23 13.532 -10.209 -22.135 169 HG SER 23 HG SER 23 12.535 -9.211 -24.539 170 H ARG 24 H ARG 24 13.257 -9.052 -19.917 171 HA ARG 24 HA ARG 24 10.555 -8.364 -19.612 172 HB2 ARG 24 2HB ARG 24 12.654 -8.864 -17.492 173 HB3 ARG 24 3HB ARG 24 10.930 -8.794 -17.181 174 HG2 ARG 24 2HG ARG 24 12.337 -10.804 -18.929 175 HG3 ARG 24 3HG ARG 24 11.694 -11.093 -17.312 176 HD2 ARG 24 2HD ARG 24 9.430 -10.621 -18.125 177 HD3 ARG 24 3HD ARG 24 10.069 -10.313 -19.742 178 HE ARG 24 HE ARG 24 10.471 -12.936 -18.492 179 HH11 ARG 24 1HH1 ARG 24 9.060 -11.008 -20.983 180 HH12 ARG 24 2HH1 ARG 24 8.605 -12.385 -21.924 181 HH21 ARG 24 1HH2 ARG 24 9.854 -14.680 -19.719 182 HH22 ARG 24 2HH2 ARG 24 9.046 -14.420 -21.226 183 H ALA 25 H ALA 25 13.462 -6.693 -18.397 184 HA ALA 25 HA ALA 25 12.081 -4.560 -17.137 185 HB1 ALA 25 3HB ALA 25 14.900 -4.607 -18.211 186 HB2 ALA 25 1HB ALA 25 14.401 -5.140 -16.605 187 HB3 ALA 25 2HB ALA 25 14.245 -3.442 -17.060 188 H LEU 26 H LEU 26 13.467 -4.916 -20.387 189 HA LEU 26 HA LEU 26 13.085 -2.356 -21.384 190 HB2 LEU 26 2HB LEU 26 14.267 -4.170 -22.571 191 HB3 LEU 26 3HB LEU 26 12.737 -4.977 -22.856 192 HG LEU 26 HG LEU 26 12.003 -3.111 -24.280 193 HD11 LEU 26 1HD1 LEU 26 13.216 -1.294 -23.195 194 HD12 LEU 26 2HD1 LEU 26 13.567 -1.342 -24.921 195 HD13 LEU 26 3HD1 LEU 26 14.748 -1.960 -23.767 196 HD21 LEU 26 3HD2 LEU 26 13.560 -3.483 -26.147 197 HD22 LEU 26 1HD2 LEU 26 13.143 -4.987 -25.325 198 HD23 LEU 26 2HD2 LEU 26 14.708 -4.226 -25.032 199 H ALA 27 H ALA 27 10.803 -5.098 -21.552 200 HA ALA 27 HA ALA 27 8.647 -3.799 -22.723 201 HB1 ALA 27 3HB ALA 27 8.521 -5.973 -20.628 202 HB2 ALA 27 1HB ALA 27 8.762 -6.228 -22.357 203 HB3 ALA 27 2HB ALA 27 7.246 -5.545 -21.770 204 H LEU 28 H LEU 28 9.579 -3.918 -19.296 205 HA LEU 28 HA LEU 28 7.346 -2.568 -18.235 206 HB2 LEU 28 2HB LEU 28 10.200 -2.715 -17.249 207 HB3 LEU 28 3HB LEU 28 8.894 -1.996 -16.327 208 HG LEU 28 HG LEU 28 9.012 -4.895 -17.194 209 HD11 LEU 28 1HD1 LEU 28 10.704 -4.375 -15.504 210 HD12 LEU 28 2HD1 LEU 28 9.425 -5.391 -14.842 211 HD13 LEU 28 3HD1 LEU 28 9.461 -3.667 -14.470 212 HD21 LEU 28 3HD2 LEU 28 7.108 -5.172 -15.654 213 HD22 LEU 28 1HD2 LEU 28 6.724 -4.109 -17.006 214 HD23 LEU 28 2HD2 LEU 28 7.061 -3.425 -15.414 215 H PHE 29 H PHE 29 10.553 -1.245 -19.163 216 HA PHE 29 HA PHE 29 9.974 1.450 -18.651 217 HB2 PHE 29 2HB PHE 29 11.898 0.176 -20.598 218 HB3 PHE 29 3HB PHE 29 11.801 1.918 -20.369 219 HD1 PHE 29 HD2 PHE 29 11.974 2.702 -17.846 220 HD2 PHE 29 HD1 PHE 29 13.452 -1.005 -19.350 221 HE1 PHE 29 HE2 PHE 29 13.535 2.556 -15.951 222 HE2 PHE 29 HE1 PHE 29 15.014 -1.150 -17.456 223 HZ PHE 29 HZ PHE 29 15.059 0.632 -15.756 224 H GLU 30 H GLU 30 9.659 -0.362 -21.715 225 HA GLU 30 HA GLU 30 8.652 1.720 -23.297 226 HB2 GLU 30 2HB GLU 30 7.966 -1.226 -23.460 227 HB3 GLU 30 3HB GLU 30 7.717 -0.044 -24.739 228 HG2 GLU 30 2HG GLU 30 10.103 0.274 -24.961 229 HG3 GLU 30 3HG GLU 30 10.405 -0.808 -23.602 230 H GLU 31 H GLU 31 7.001 -0.502 -21.102 231 HA GLU 31 HA GLU 31 4.351 0.348 -21.685 232 HB2 GLU 31 2HB GLU 31 4.910 -1.815 -20.601 233 HB3 GLU 31 3HB GLU 31 5.427 -0.944 -19.163 234 HG2 GLU 31 2HG GLU 31 3.173 -0.137 -18.795 235 HG3 GLU 31 3HG GLU 31 2.630 -0.888 -20.295 236 H LEU 32 H LEU 32 6.755 1.373 -19.285 237 HA LEU 32 HA LEU 32 5.209 3.181 -17.816 238 HB2 LEU 32 2HB LEU 32 8.132 3.252 -18.567 239 HB3 LEU 32 3HB LEU 32 7.406 4.393 -17.452 240 HG LEU 32 HG LEU 32 7.461 1.399 -17.015 241 HD11 LEU 32 1HD1 LEU 32 9.234 3.542 -15.829 242 HD12 LEU 32 2HD1 LEU 32 9.730 2.313 -16.994 243 HD13 LEU 32 3HD1 LEU 32 9.221 1.837 -15.375 244 HD21 LEU 32 3HD2 LEU 32 5.623 2.541 -15.883 245 HD22 LEU 32 1HD2 LEU 32 6.761 3.686 -15.172 246 HD23 LEU 32 2HD2 LEU 32 6.829 1.982 -14.724 247 H VAL 33 H VAL 33 6.968 3.647 -20.861 248 HA VAL 33 HA VAL 33 6.661 6.381 -21.222 249 HB VAL 33 HB VAL 33 6.652 4.198 -23.321 250 HG11 VAL 33 1HG1 VAL 33 7.099 7.169 -23.657 251 HG12 VAL 33 2HG1 VAL 33 5.730 6.242 -24.272 252 HG13 VAL 33 3HG1 VAL 33 7.349 5.950 -24.907 253 HG21 VAL 33 3HG2 VAL 33 9.026 4.715 -23.553 254 HG22 VAL 33 1HG2 VAL 33 8.650 4.233 -21.899 255 HG23 VAL 33 2HG2 VAL 33 8.897 5.936 -22.287 256 H GLU 34 H GLU 34 4.410 3.795 -22.190 257 HA GLU 34 HA GLU 34 2.575 5.655 -23.419 258 HB2 GLU 34 2HB GLU 34 1.187 3.625 -23.826 259 HB3 GLU 34 3HB GLU 34 2.831 3.492 -24.434 260 HG2 GLU 34 2HG GLU 34 3.421 2.208 -22.384 261 HG3 GLU 34 3HG GLU 34 1.719 2.241 -21.929 262 H THR 35 H THR 35 2.805 4.072 -20.300 263 HA THR 35 HA THR 35 0.029 4.711 -19.625 264 HB THR 35 HB THR 35 0.468 3.529 -17.498 265 HG1 THR 35 HG1 THR 35 2.972 2.694 -18.492 266 HG21 THR 35 3HG2 THR 35 1.343 2.004 -19.962 267 HG22 THR 35 1HG2 THR 35 -0.322 2.250 -19.432 268 HG23 THR 35 2HG2 THR 35 0.782 1.284 -18.452 269 H ASP 36 H ASP 36 3.247 5.873 -18.917 270 HA ASP 36 HA ASP 36 2.112 8.150 -17.474 271 HB2 ASP 36 2HB ASP 36 2.919 6.213 -15.896 272 HB3 ASP 36 3HB ASP 36 4.532 6.790 -16.304 273 HA PRO 37 HA PRO 37 5.267 9.135 -20.699 274 HB2 PRO 37 2HB PRO 37 3.974 11.185 -21.867 275 HB3 PRO 37 3HB PRO 37 3.508 9.503 -22.144 276 HG2 PRO 37 2HG PRO 37 2.279 11.519 -20.291 277 HG3 PRO 37 3HG PRO 37 1.479 10.395 -21.405 278 HD2 PRO 37 2HD PRO 37 1.746 9.909 -18.734 279 HD3 PRO 37 3HD PRO 37 1.670 8.619 -19.953 280 H ASP 38 H ASP 38 3.945 11.284 -18.244 281 HA ASP 38 HA ASP 38 5.844 13.388 -18.857 282 HB2 ASP 38 2HB ASP 38 4.865 14.497 -16.817 283 HB3 ASP 38 3HB ASP 38 3.723 14.147 -18.108 284 H TYR 39 H TYR 39 6.020 10.509 -17.108 285 HA TYR 39 HA TYR 39 7.979 11.415 -15.186 286 HB2 TYR 39 2HB TYR 39 6.531 9.480 -14.693 287 HB3 TYR 39 3HB TYR 39 7.254 8.595 -16.032 288 HD1 TYR 39 HD1 TYR 39 8.793 10.678 -13.325 289 HD2 TYR 39 HD2 TYR 39 8.472 6.830 -15.126 290 HE1 TYR 39 HE1 TYR 39 10.533 9.830 -11.810 291 HE2 TYR 39 HE2 TYR 39 10.211 5.973 -13.615 292 HH TYR 39 HH TYR 39 11.335 7.739 -10.894 293 H VAL 40 H VAL 40 9.607 12.387 -16.339 294 HA VAL 40 HA VAL 40 10.789 11.500 -18.704 295 HB VAL 40 HB VAL 40 12.122 13.135 -16.534 296 HG11 VAL 40 1HG1 VAL 40 13.434 14.090 -18.385 297 HG12 VAL 40 2HG1 VAL 40 12.658 12.971 -19.507 298 HG13 VAL 40 3HG1 VAL 40 13.697 12.353 -18.222 299 HG21 VAL 40 3HG2 VAL 40 9.976 14.114 -17.108 300 HG22 VAL 40 1HG2 VAL 40 10.357 14.016 -18.828 301 HG23 VAL 40 2HG2 VAL 40 11.276 15.099 -17.781 302 H GLY 41 H GLY 41 11.485 10.568 -15.386 303 HA2 GLY 41 2HA GLY 41 13.979 9.403 -15.575 304 HA3 GLY 41 3HA GLY 41 12.690 8.790 -14.553 305 H THR 42 H THR 42 10.919 8.086 -16.729 306 HA THR 42 HA THR 42 11.732 5.465 -17.297 307 HB THR 42 HB THR 42 9.685 7.197 -18.706 308 HG1 THR 42 HG1 THR 42 8.321 6.457 -17.226 309 HG21 THR 42 3HG2 THR 42 8.746 5.093 -19.573 310 HG22 THR 42 1HG2 THR 42 10.114 4.209 -18.896 311 HG23 THR 42 2HG2 THR 42 10.372 5.382 -20.189 312 H TYR 43 H TYR 43 11.583 8.268 -19.512 313 HA TYR 43 HA TYR 43 12.550 6.947 -21.783 314 HB2 TYR 43 2HB TYR 43 12.731 9.883 -21.073 315 HB3 TYR 43 3HB TYR 43 13.002 9.216 -22.680 316 HD1 TYR 43 HD2 TYR 43 11.113 8.262 -23.962 317 HD2 TYR 43 HD1 TYR 43 10.502 10.170 -20.204 318 HE1 TYR 43 HE2 TYR 43 8.713 8.447 -24.452 319 HE2 TYR 43 HE1 TYR 43 8.100 10.358 -20.686 320 HH TYR 43 HH TYR 43 6.570 8.669 -23.155 321 H TYR 44 H TYR 44 14.292 8.747 -19.282 322 HA TYR 44 HA TYR 44 16.827 8.813 -20.444 323 HB2 TYR 44 2HB TYR 44 16.219 10.068 -18.415 324 HB3 TYR 44 3HB TYR 44 16.114 8.566 -17.507 325 HD1 TYR 44 HD2 TYR 44 18.397 11.003 -19.046 326 HD2 TYR 44 HD1 TYR 44 18.134 7.396 -16.798 327 HE1 TYR 44 HE2 TYR 44 20.776 11.201 -18.457 328 HE2 TYR 44 HE1 TYR 44 20.509 7.586 -16.204 329 HH TYR 44 HH TYR 44 22.283 10.397 -16.591 330 H HIS 45 H HIS 45 15.570 6.396 -18.114 331 HA HIS 45 HA HIS 45 17.919 4.767 -18.347 332 HB2 HIS 45 2HB HIS 45 15.262 4.288 -16.993 333 HB3 HIS 45 3HB HIS 45 16.604 3.148 -16.930 334 HD1 HIS 45 HD1 HIS 45 18.487 3.642 -15.304 335 HD2 HIS 45 HD2 HIS 45 15.777 6.777 -15.634 336 HE1 HIS 45 HE1 HIS 45 19.100 5.257 -13.486 337 HE2 HIS 45 HE2 HIS 45 17.335 7.041 -13.584 338 H LEU 46 H LEU 46 14.755 4.726 -19.883 339 HA LEU 46 HA LEU 46 14.870 2.180 -21.073 340 HB2 LEU 46 2HB LEU 46 12.835 3.483 -21.114 341 HB3 LEU 46 3HB LEU 46 13.612 4.757 -22.035 342 HG LEU 46 HG LEU 46 13.799 3.257 -23.976 343 HD11 LEU 46 1HD1 LEU 46 12.304 1.259 -22.278 344 HD12 LEU 46 2HD1 LEU 46 13.982 1.124 -22.802 345 HD13 LEU 46 3HD1 LEU 46 12.682 1.086 -23.991 346 HD21 LEU 46 3HD2 LEU 46 11.008 3.425 -22.837 347 HD22 LEU 46 1HD2 LEU 46 11.411 3.130 -24.530 348 HD23 LEU 46 2HD2 LEU 46 11.830 4.669 -23.780 349 H GLY 47 H GLY 47 16.016 5.339 -22.270 350 HA2 GLY 47 2HA GLY 47 17.161 4.463 -24.678 351 HA3 GLY 47 3HA GLY 47 17.661 5.886 -23.777 352 H LYS 48 H LYS 48 18.635 4.753 -21.441 353 HA LYS 48 HA LYS 48 21.232 3.974 -22.111 354 HB2 LYS 48 2HB LYS 48 19.814 3.287 -19.526 355 HB3 LYS 48 3HB LYS 48 21.549 3.397 -19.772 356 HG2 LYS 48 2HG LYS 48 19.571 5.666 -19.859 357 HG3 LYS 48 3HG LYS 48 20.730 5.331 -18.579 358 HD2 LYS 48 2HD LYS 48 21.436 6.060 -21.426 359 HD3 LYS 48 3HD LYS 48 21.429 7.176 -20.065 360 HE2 LYS 48 2HE LYS 48 23.673 6.592 -20.293 361 HE3 LYS 48 3HE LYS 48 23.112 5.557 -18.982 362 HZ1 LYS 48 3HZ LYS 48 23.348 4.717 -21.821 363 HZ2 LYS 48 1HZ LYS 48 22.938 3.727 -20.512 364 HZ3 LYS 48 2HZ LYS 48 24.490 4.384 -20.618 365 H LEU 49 H LEU 49 18.392 1.986 -21.392 366 HA LEU 49 HA LEU 49 19.731 -0.519 -21.429 367 HB2 LEU 49 2HB LEU 49 17.543 -0.267 -20.406 368 HB3 LEU 49 3HB LEU 49 16.836 0.177 -21.947 369 HG LEU 49 HG LEU 49 17.123 -2.064 -22.808 370 HD11 LEU 49 1HD1 LEU 49 18.074 -3.868 -21.413 371 HD12 LEU 49 2HD1 LEU 49 18.548 -2.667 -20.212 372 HD13 LEU 49 3HD1 LEU 49 19.264 -2.634 -21.823 373 HD21 LEU 49 3HD2 LEU 49 15.702 -3.323 -21.245 374 HD22 LEU 49 1HD2 LEU 49 15.126 -1.672 -21.479 375 HD23 LEU 49 2HD2 LEU 49 15.995 -2.103 -20.005 376 H TYR 50 H TYR 50 18.051 1.343 -23.969 377 HA TYR 50 HA TYR 50 18.410 -0.493 -26.062 378 HB2 TYR 50 2HB TYR 50 18.185 2.516 -26.041 379 HB3 TYR 50 3HB TYR 50 18.384 1.617 -27.540 380 HD1 TYR 50 HD2 TYR 50 16.667 -0.730 -27.110 381 HD2 TYR 50 HD1 TYR 50 16.003 3.354 -26.088 382 HE1 TYR 50 HE2 TYR 50 14.241 -1.096 -27.247 383 HE2 TYR 50 HE1 TYR 50 13.573 2.995 -26.226 384 HH TYR 50 HH TYR 50 12.164 -0.112 -26.403 385 H GLU 51 H GLU 51 20.573 2.051 -24.848 386 HA GLU 51 HA GLU 51 22.671 1.719 -26.694 387 HB2 GLU 51 2HB GLU 51 22.807 2.574 -23.793 388 HB3 GLU 51 3HB GLU 51 24.117 2.744 -24.950 389 HG2 GLU 51 2HG GLU 51 22.676 4.243 -26.300 390 HG3 GLU 51 3HG GLU 51 21.441 4.129 -25.046 391 H ARG 52 H ARG 52 21.677 -0.271 -24.050 392 HA ARG 52 HA ARG 52 24.187 -1.702 -23.791 393 HB2 ARG 52 2HB ARG 52 22.536 -1.322 -21.911 394 HB3 ARG 52 3HB ARG 52 21.463 -2.463 -22.706 395 HG2 ARG 52 2HG ARG 52 23.177 -4.223 -22.454 396 HG3 ARG 52 3HG ARG 52 24.212 -3.068 -21.612 397 HD2 ARG 52 2HD ARG 52 22.336 -2.766 -19.947 398 HD3 ARG 52 3HD ARG 52 21.529 -4.128 -20.722 399 HE ARG 52 HE ARG 52 24.203 -4.742 -19.909 400 HH11 ARG 52 1HH1 ARG 52 20.937 -4.551 -18.794 401 HH12 ARG 52 2HH1 ARG 52 21.216 -5.630 -17.473 402 HH21 ARG 52 1HH2 ARG 52 24.535 -6.102 -18.209 403 HH22 ARG 52 2HH2 ARG 52 23.227 -6.498 -17.146 404 H LEU 53 H LEU 53 21.402 -1.891 -25.792 405 HA LEU 53 HA LEU 53 21.997 -4.693 -26.540 406 HB2 LEU 53 2HB LEU 53 19.367 -3.208 -26.707 407 HB3 LEU 53 3HB LEU 53 19.629 -4.874 -27.193 408 HG LEU 53 HG LEU 53 19.874 -3.816 -24.363 409 HD11 LEU 53 1HD1 LEU 53 17.557 -3.842 -25.127 410 HD12 LEU 53 2HD1 LEU 53 17.837 -5.097 -23.921 411 HD13 LEU 53 3HD1 LEU 53 17.727 -5.524 -25.630 412 HD21 LEU 53 3HD2 LEU 53 20.082 -6.161 -23.718 413 HD22 LEU 53 1HD2 LEU 53 21.387 -5.693 -24.806 414 HD23 LEU 53 2HD2 LEU 53 20.032 -6.647 -25.413 415 H ASP 54 H ASP 54 23.160 -2.175 -27.717 416 HA ASP 54 HA ASP 54 23.814 -1.417 -29.757 417 HB2 ASP 54 2HB ASP 54 24.139 -3.818 -30.218 418 HB3 ASP 54 3HB ASP 54 22.484 -3.933 -30.799 419 H ARG 55 H ARG 55 20.779 -1.243 -28.775 420 HA ARG 55 HA ARG 55 19.438 -0.565 -31.263 421 HB2 ARG 55 2HB ARG 55 18.478 -0.313 -28.402 422 HB3 ARG 55 3HB ARG 55 17.481 -0.149 -29.839 423 HG2 ARG 55 2HG ARG 55 18.937 -2.672 -29.051 424 HG3 ARG 55 3HG ARG 55 17.244 -2.334 -28.689 425 HD2 ARG 55 2HD ARG 55 18.466 -2.538 -31.447 426 HD3 ARG 55 3HD ARG 55 17.459 -3.758 -30.665 427 HE ARG 55 HE ARG 55 16.408 -1.064 -31.205 428 HH11 ARG 55 1HH1 ARG 55 16.205 -4.485 -31.622 429 HH12 ARG 55 2HH1 ARG 55 14.665 -4.394 -32.404 430 HH21 ARG 55 1HH2 ARG 55 14.433 -0.976 -32.198 431 HH22 ARG 55 2HH2 ARG 55 13.677 -2.442 -32.719 432 H THR 56 H THR 56 21.588 1.082 -31.077 433 HA THR 56 HA THR 56 21.398 3.485 -29.687 434 HB THR 56 HB THR 56 22.695 4.487 -31.645 435 HG1 THR 56 HG1 THR 56 23.515 2.490 -32.947 436 HG21 THR 56 3HG2 THR 56 23.760 1.943 -30.409 437 HG22 THR 56 1HG2 THR 56 23.830 3.554 -29.694 438 HG23 THR 56 2HG2 THR 56 24.729 3.206 -31.170 439 H ASP 57 H ASP 57 20.232 2.805 -32.987 440 HA ASP 57 HA ASP 57 19.213 5.300 -33.597 441 HB2 ASP 57 2HB ASP 57 19.453 3.415 -35.192 442 HB3 ASP 57 3HB ASP 57 18.079 2.617 -34.434 443 H ASP 58 H ASP 58 17.566 2.610 -31.945 444 HA ASP 58 HA ASP 58 15.078 3.911 -31.556 445 HB2 ASP 58 2HB ASP 58 16.285 1.759 -29.800 446 HB3 ASP 58 3HB ASP 58 14.574 2.116 -30.031 447 H ALA 59 H ALA 59 17.988 3.655 -29.533 448 HA ALA 59 HA ALA 59 17.035 4.943 -27.230 449 HB1 ALA 59 3HB ALA 59 19.861 4.980 -28.310 450 HB2 ALA 59 1HB ALA 59 19.161 3.698 -27.321 451 HB3 ALA 59 2HB ALA 59 19.370 5.314 -26.649 452 H ILE 60 H ILE 60 18.902 6.334 -29.930 453 HA ILE 60 HA ILE 60 18.914 8.990 -29.104 454 HB ILE 60 HB ILE 60 18.842 7.963 -31.958 455 HG12 ILE 60 2HG1 ILE 60 21.229 8.559 -30.176 456 HG13 ILE 60 3HG1 ILE 60 20.641 6.945 -30.558 457 HG21 ILE 60 1HG2 ILE 60 18.417 10.365 -31.829 458 HG22 ILE 60 2HG2 ILE 60 20.008 10.047 -32.520 459 HG23 ILE 60 3HG2 ILE 60 19.866 10.582 -30.846 460 HD11 ILE 60 3HD1 ILE 60 21.736 8.938 -32.532 461 HD12 ILE 60 1HD1 ILE 60 21.145 7.322 -32.919 462 HD13 ILE 60 2HD1 ILE 60 22.572 7.520 -31.902 463 H ASP 61 H ASP 61 16.524 7.292 -31.134 464 HA ASP 61 HA ASP 61 14.791 9.459 -31.596 465 HB2 ASP 61 2HB ASP 61 14.629 7.375 -32.852 466 HB3 ASP 61 3HB ASP 61 14.201 6.493 -31.390 467 H THR 62 H THR 62 14.768 6.999 -29.022 468 HA THR 62 HA THR 62 12.491 7.905 -27.641 469 HB THR 62 HB THR 62 14.922 6.456 -26.547 470 HG1 THR 62 HG1 THR 62 14.074 4.967 -27.828 471 HG21 THR 62 3HG2 THR 62 13.439 5.715 -24.734 472 HG22 THR 62 1HG2 THR 62 12.146 6.733 -25.370 473 HG23 THR 62 2HG2 THR 62 13.618 7.469 -24.735 474 H TYR 63 H TYR 63 15.913 8.811 -27.315 475 HA TYR 63 HA TYR 63 15.582 10.595 -25.141 476 HB2 TYR 63 2HB TYR 63 17.682 10.465 -27.314 477 HB3 TYR 63 3HB TYR 63 17.746 11.624 -25.993 478 HD1 TYR 63 HD2 TYR 63 17.182 10.245 -23.603 479 HD2 TYR 63 HD1 TYR 63 19.210 8.752 -27.040 480 HE1 TYR 63 HE2 TYR 63 18.345 8.597 -22.196 481 HE2 TYR 63 HE1 TYR 63 20.377 7.104 -25.642 482 HH TYR 63 HH TYR 63 20.963 6.661 -23.412 483 H ALA 64 H ALA 64 15.333 11.028 -28.650 484 HA ALA 64 HA ALA 64 15.206 13.796 -28.820 485 HB1 ALA 64 3HB ALA 64 15.297 12.279 -30.756 486 HB2 ALA 64 1HB ALA 64 14.010 13.475 -30.912 487 HB3 ALA 64 2HB ALA 64 13.622 11.815 -30.460 488 H GLN 65 H GLN 65 12.398 11.579 -28.594 489 HA GLN 65 HA GLN 65 10.477 13.601 -28.100 490 HB2 GLN 65 2HB GLN 65 10.107 11.166 -28.846 491 HB3 GLN 65 3HB GLN 65 10.261 10.735 -27.150 492 HG2 GLN 65 2HG GLN 65 8.225 12.708 -28.177 493 HG3 GLN 65 3HG GLN 65 7.912 10.983 -28.032 494 HE21 GLN 65 1HE2 GLN 65 9.419 10.705 -25.546 495 HE22 GLN 65 2HE2 GLN 65 8.453 11.442 -24.322 496 H GLY 66 H GLY 66 12.422 11.554 -25.951 497 HA2 GLY 66 2HA GLY 66 11.341 12.241 -23.474 498 HA3 GLY 66 3HA GLY 66 13.016 11.788 -23.743 499 H ILE 67 H ILE 67 13.812 13.944 -25.358 500 HA ILE 67 HA ILE 67 14.511 15.927 -23.524 501 HB ILE 67 HB ILE 67 14.438 15.917 -26.544 502 HG12 ILE 67 2HG1 ILE 67 16.733 15.850 -24.563 503 HG13 ILE 67 3HG1 ILE 67 16.079 14.451 -25.406 504 HG21 ILE 67 1HG2 ILE 67 15.581 18.099 -24.800 505 HG22 ILE 67 2HG2 ILE 67 14.148 18.238 -25.817 506 HG23 ILE 67 3HG2 ILE 67 15.730 17.985 -26.552 507 HD11 ILE 67 3HD1 ILE 67 16.775 15.404 -27.536 508 HD12 ILE 67 1HD1 ILE 67 18.135 15.230 -26.428 509 HD13 ILE 67 2HD1 ILE 67 17.417 16.818 -26.698 510 H GLU 68 H GLU 68 11.802 15.770 -25.801 511 HA GLU 68 HA GLU 68 10.863 18.407 -25.417 512 HB2 GLU 68 2HB GLU 68 9.255 15.954 -26.180 513 HB3 GLU 68 3HB GLU 68 8.775 17.630 -26.424 514 HG2 GLU 68 2HG GLU 68 10.780 17.900 -27.902 515 HG3 GLU 68 3HG GLU 68 11.040 16.162 -27.765 516 H VAL 69 H VAL 69 9.650 15.337 -23.990 517 HA VAL 69 HA VAL 69 7.893 16.610 -22.173 518 HB VAL 69 HB VAL 69 7.762 14.484 -20.974 519 HG11 VAL 69 1HG1 VAL 69 6.443 14.741 -23.002 520 HG12 VAL 69 2HG1 VAL 69 6.980 13.070 -22.825 521 HG13 VAL 69 3HG1 VAL 69 7.786 14.136 -23.975 522 HG21 VAL 69 3HG2 VAL 69 10.131 13.849 -21.048 523 HG22 VAL 69 1HG2 VAL 69 10.000 13.551 -22.782 524 HG23 VAL 69 2HG2 VAL 69 9.100 12.548 -21.644 525 H ALA 70 H ALA 70 11.326 15.985 -22.011 526 HA ALA 70 HA ALA 70 11.653 16.324 -19.209 527 HB1 ALA 70 3HB ALA 70 14.021 16.687 -19.715 528 HB2 ALA 70 1HB ALA 70 13.635 16.837 -21.430 529 HB3 ALA 70 2HB ALA 70 13.379 15.303 -20.599 530 H ARG 71 H ARG 71 12.112 18.624 -21.912 531 HA ARG 71 HA ARG 71 12.620 20.857 -20.223 532 HB2 ARG 71 2HB ARG 71 12.298 22.208 -22.302 533 HB3 ARG 71 3HB ARG 71 13.454 20.894 -22.477 534 HG2 ARG 71 2HG ARG 71 11.686 19.536 -23.560 535 HG3 ARG 71 3HG ARG 71 10.599 20.919 -23.453 536 HD2 ARG 71 2HD ARG 71 13.252 21.003 -24.887 537 HD3 ARG 71 3HD ARG 71 11.735 20.581 -25.680 538 HE ARG 71 HE ARG 71 11.695 23.101 -24.275 539 HH11 ARG 71 1HH1 ARG 71 12.333 21.514 -27.276 540 HH12 ARG 71 2HH1 ARG 71 12.091 22.953 -28.203 541 HH21 ARG 71 1HH2 ARG 71 11.394 24.941 -25.500 542 HH22 ARG 71 2HH2 ARG 71 11.568 24.850 -27.219 543 H GLU 72 H GLU 72 9.662 19.616 -21.732 544 HA GLU 72 HA GLU 72 8.150 21.970 -20.936 545 HB2 GLU 72 2HB GLU 72 7.215 19.435 -22.302 546 HB3 GLU 72 3HB GLU 72 6.278 20.913 -22.112 547 HG2 GLU 72 2HG GLU 72 7.964 22.111 -23.473 548 HG3 GLU 72 3HG GLU 72 8.806 20.584 -23.719 549 H GLU 73 H GLU 73 7.986 18.463 -20.208 550 HA GLU 73 HA GLU 73 5.956 18.999 -18.169 551 HB2 GLU 73 2HB GLU 73 7.016 16.324 -19.108 552 HB3 GLU 73 3HB GLU 73 5.571 16.609 -18.148 553 HG2 GLU 73 2HG GLU 73 5.991 17.486 -21.005 554 HG3 GLU 73 3HG GLU 73 5.040 16.100 -20.479 555 H GLY 74 H GLY 74 9.293 17.893 -18.398 556 HA2 GLY 74 2HA GLY 74 9.386 17.292 -15.523 557 HA3 GLY 74 3HA GLY 74 10.646 16.945 -16.696 558 H THR 75 H THR 75 12.432 18.132 -16.398 559 HA THR 75 HA THR 75 12.207 20.994 -15.914 560 HB THR 75 HB THR 75 12.295 20.137 -13.626 561 HG1 THR 75 HG1 THR 75 13.818 21.560 -12.997 562 HG21 THR 75 3HG2 THR 75 13.419 18.004 -14.021 563 HG22 THR 75 1HG2 THR 75 14.285 18.939 -12.800 564 HG23 THR 75 2HG2 THR 75 14.906 18.850 -14.448 565 H GLN 76 H GLN 76 14.558 21.941 -15.734 566 HA GLN 76 HA GLN 76 15.652 21.502 -18.311 567 HB2 GLN 76 2HB GLN 76 15.585 23.645 -16.825 568 HB3 GLN 76 3HB GLN 76 17.089 23.034 -16.153 569 HG2 GLN 76 2HG GLN 76 16.674 23.482 -19.104 570 HG3 GLN 76 3HG GLN 76 17.276 24.730 -18.019 571 HE21 GLN 76 1HE2 GLN 76 18.546 23.429 -20.318 572 HE22 GLN 76 2HE2 GLN 76 20.025 22.772 -19.720 573 H LYS 77 H LYS 77 16.649 20.399 -15.098 574 HA LYS 77 HA LYS 77 19.253 19.563 -15.660 575 HB2 LYS 77 2HB LYS 77 18.372 19.528 -13.386 576 HB3 LYS 77 3HB LYS 77 17.215 18.275 -13.821 577 HG2 LYS 77 2HG LYS 77 19.076 16.725 -14.268 578 HG3 LYS 77 3HG LYS 77 20.222 17.981 -13.794 579 HD2 LYS 77 2HD LYS 77 19.239 18.013 -11.540 580 HD3 LYS 77 3HD LYS 77 18.103 16.749 -12.021 581 HE2 LYS 77 2HE LYS 77 19.962 15.225 -12.447 582 HE3 LYS 77 3HE LYS 77 21.113 16.489 -12.010 583 HZ1 LYS 77 3HZ LYS 77 19.107 15.245 -10.212 584 HZ2 LYS 77 1HZ LYS 77 20.152 16.502 -9.778 585 HZ3 LYS 77 2HZ LYS 77 20.780 14.986 -10.180 586 H ASP 78 H ASP 78 16.245 17.646 -15.905 587 HA ASP 78 HA ASP 78 17.439 15.363 -17.057 588 HB2 ASP 78 2HB ASP 78 14.585 16.365 -17.226 589 HB3 ASP 78 3HB ASP 78 15.116 14.760 -17.726 590 H LEU 79 H LEU 79 16.038 18.276 -18.481 591 HA LEU 79 HA LEU 79 16.103 17.650 -21.180 592 HB2 LEU 79 2HB LEU 79 15.168 19.720 -20.417 593 HB3 LEU 79 3HB LEU 79 16.701 20.236 -19.742 594 HG LEU 79 HG LEU 79 17.627 20.414 -22.040 595 HD11 LEU 79 1HD1 LEU 79 16.193 18.773 -23.132 596 HD12 LEU 79 2HD1 LEU 79 16.131 20.330 -23.957 597 HD13 LEU 79 3HD1 LEU 79 14.800 19.832 -22.910 598 HD21 LEU 79 3HD2 LEU 79 15.100 21.996 -21.548 599 HD22 LEU 79 1HD2 LEU 79 16.389 22.432 -22.671 600 HD23 LEU 79 2HD2 LEU 79 16.710 22.384 -20.938 601 H SER 80 H SER 80 18.765 19.025 -19.224 602 HA SER 80 HA SER 80 20.712 18.945 -21.284 603 HB2 SER 80 2HB SER 80 20.994 20.345 -19.284 604 HB3 SER 80 3HB SER 80 21.111 18.902 -18.277 605 HG SER 80 HG SER 80 23.081 18.481 -19.070 606 H GLU 81 H GLU 81 19.858 16.626 -18.737 607 HA GLU 81 HA GLU 81 21.934 14.781 -19.081 608 HB2 GLU 81 2HB GLU 81 19.069 14.310 -18.226 609 HB3 GLU 81 3HB GLU 81 20.354 13.121 -18.077 610 HG2 GLU 81 2HG GLU 81 20.342 15.820 -16.736 611 HG3 GLU 81 3HG GLU 81 19.852 14.309 -15.973 612 H LEU 82 H LEU 82 18.708 14.821 -20.618 613 HA LEU 82 HA LEU 82 19.106 12.426 -22.089 614 HB2 LEU 82 2HB LEU 82 17.156 14.690 -22.523 615 HB3 LEU 82 3HB LEU 82 17.091 13.147 -23.359 616 HG LEU 82 HG LEU 82 16.810 13.528 -20.369 617 HD11 LEU 82 1HD1 LEU 82 14.731 12.838 -22.441 618 HD12 LEU 82 2HD1 LEU 82 14.885 14.381 -21.601 619 HD13 LEU 82 3HD1 LEU 82 14.479 12.923 -20.698 620 HD21 LEU 82 3HD2 LEU 82 16.168 11.158 -20.352 621 HD22 LEU 82 1HD2 LEU 82 17.826 11.387 -20.904 622 HD23 LEU 82 2HD2 LEU 82 16.548 11.047 -22.071 623 H GLN 83 H GLN 83 19.510 15.852 -22.978 624 HA GLN 83 HA GLN 83 20.199 15.495 -25.673 625 HB2 GLN 83 2HB GLN 83 21.221 17.546 -23.689 626 HB3 GLN 83 3HB GLN 83 21.482 17.633 -25.427 627 HG2 GLN 83 2HG GLN 83 19.086 17.807 -25.800 628 HG3 GLN 83 3HG GLN 83 18.788 17.651 -24.070 629 HE21 GLN 83 1HE2 GLN 83 19.374 19.369 -22.707 630 HE22 GLN 83 2HE2 GLN 83 19.615 20.967 -23.313 631 H ASP 84 H ASP 84 22.283 15.567 -22.794 632 HA ASP 84 HA ASP 84 24.720 14.981 -24.076 633 HB2 ASP 84 2HB ASP 84 24.624 15.916 -21.828 634 HB3 ASP 84 3HB ASP 84 23.808 14.475 -21.230 635 H ALA 85 H ALA 85 22.218 12.887 -22.714 636 HA ALA 85 HA ALA 85 23.571 10.438 -22.779 637 HB1 ALA 85 3HB ALA 85 21.453 10.801 -21.595 638 HB2 ALA 85 1HB ALA 85 21.378 9.397 -22.661 639 HB3 ALA 85 2HB ALA 85 20.614 10.912 -23.142 640 H LYS 86 H LYS 86 21.431 11.859 -25.279 641 HA LYS 86 HA LYS 86 21.962 9.755 -27.157 642 HB2 LYS 86 2HB LYS 86 20.828 11.216 -28.814 643 HB3 LYS 86 3HB LYS 86 19.880 10.959 -27.356 644 HG2 LYS 86 2HG LYS 86 20.387 13.154 -26.552 645 HG3 LYS 86 3HG LYS 86 21.563 13.414 -27.840 646 HD2 LYS 86 2HD LYS 86 18.602 12.983 -28.287 647 HD3 LYS 86 3HD LYS 86 19.379 14.565 -28.214 648 HE2 LYS 86 2HE LYS 86 20.833 13.879 -30.116 649 HE3 LYS 86 3HE LYS 86 19.917 12.376 -30.224 650 HZ1 LYS 86 3HZ LYS 86 18.720 15.078 -30.498 651 HZ2 LYS 86 1HZ LYS 86 17.953 13.595 -30.772 652 HZ3 LYS 86 2HZ LYS 86 19.191 14.108 -31.800 653 H LEU 87 H LEU 87 23.325 12.954 -26.567 654 HA LEU 87 HA LEU 87 24.743 13.350 -28.922 655 HB2 LEU 87 2HB LEU 87 24.480 15.039 -27.153 656 HB3 LEU 87 3HB LEU 87 25.562 14.126 -26.118 657 HG LEU 87 HG LEU 87 27.410 14.521 -27.727 658 HD11 LEU 87 1HD1 LEU 87 27.124 16.179 -29.512 659 HD12 LEU 87 2HD1 LEU 87 25.395 16.254 -29.164 660 HD13 LEU 87 3HD1 LEU 87 26.111 14.759 -29.769 661 HD21 LEU 87 3HD2 LEU 87 27.715 16.902 -27.224 662 HD22 LEU 87 1HD2 LEU 87 27.117 16.016 -25.820 663 HD23 LEU 87 2HD2 LEU 87 26.017 17.024 -26.763 664 H LYS 88 H LYS 88 25.881 11.708 -25.950 665 HA LYS 88 HA LYS 88 28.435 11.051 -26.941 666 HB2 LYS 88 2HB LYS 88 28.633 9.531 -25.098 667 HB3 LYS 88 3HB LYS 88 27.739 10.936 -24.533 668 HG2 LYS 88 2HG LYS 88 25.644 9.702 -24.738 669 HG3 LYS 88 3HG LYS 88 26.524 8.296 -25.339 670 HD2 LYS 88 2HD LYS 88 27.831 8.391 -23.140 671 HD3 LYS 88 3HD LYS 88 26.581 9.509 -22.583 672 HE2 LYS 88 2HE LYS 88 26.199 6.656 -23.504 673 HE3 LYS 88 3HE LYS 88 26.015 7.277 -21.863 674 HZ1 LYS 88 3HZ LYS 88 24.348 8.146 -24.162 675 HZ2 LYS 88 1HZ LYS 88 24.116 8.532 -22.532 676 HZ3 LYS 88 2HZ LYS 88 23.890 6.943 -23.069 677 H ALA 89 H ALA 89 25.341 9.332 -27.129 678 HA ALA 89 HA ALA 89 26.292 6.895 -28.169 679 HB1 ALA 89 3HB ALA 89 23.986 6.488 -28.857 680 HB2 ALA 89 1HB ALA 89 23.598 8.190 -28.603 681 HB3 ALA 89 2HB ALA 89 24.044 7.173 -27.232 682 H GLU 90 H GLU 90 25.170 9.844 -29.802 683 HA GLU 90 HA GLU 90 25.512 8.913 -32.460 684 HB2 GLU 90 2HB GLU 90 25.661 11.759 -31.424 685 HB3 GLU 90 3HB GLU 90 25.418 11.283 -33.099 686 HG2 GLU 90 2HG GLU 90 23.284 10.220 -32.455 687 HG3 GLU 90 3HG GLU 90 23.524 10.792 -30.805 688 H GLY 91 H GLY 91 27.693 10.327 -30.113 689 HA2 GLY 91 2HA GLY 91 29.842 10.782 -31.989 690 HA3 GLY 91 3HA GLY 91 29.917 10.965 -30.247 691 H LEU 92 H LEU 92 28.900 8.118 -29.902 692 HA LEU 92 HA LEU 92 31.364 6.836 -29.570 693 HB2 LEU 92 2HB LEU 92 28.600 5.656 -29.861 694 HB3 LEU 92 3HB LEU 92 30.010 4.711 -29.421 695 HG LEU 92 HG LEU 92 28.846 6.995 -27.816 696 HD11 LEU 92 1HD1 LEU 92 27.457 4.980 -27.775 697 HD12 LEU 92 2HD1 LEU 92 28.212 5.278 -26.211 698 HD13 LEU 92 3HD1 LEU 92 28.853 4.025 -27.274 699 HD21 LEU 92 3HD2 LEU 92 31.260 6.899 -27.553 700 HD22 LEU 92 1HD2 LEU 92 31.178 5.168 -27.221 701 HD23 LEU 92 2HD2 LEU 92 30.467 6.318 -26.089 702 H GLU 93 H GLU 93 28.936 6.215 -32.120 703 HA GLU 93 HA GLU 93 30.922 5.728 -34.124 704 HB2 GLU 93 2HB GLU 93 30.506 3.362 -34.498 705 HB3 GLU 93 3HB GLU 93 31.069 3.601 -32.848 706 HG2 GLU 93 2HG GLU 93 28.902 3.270 -31.952 707 HG3 GLU 93 3HG GLU 93 28.148 3.398 -33.540 708 H HIS 94 H HIS 94 29.707 4.475 -36.061 709 HA HIS 94 HA HIS 94 26.865 5.199 -36.149 710 HB2 HIS 94 2HB HIS 94 28.904 5.913 -38.268 711 HB3 HIS 94 3HB HIS 94 27.163 5.965 -38.529 712 HD1 HIS 94 HD1 HIS 94 25.827 7.709 -37.010 713 HD2 HIS 94 HD2 HIS 94 29.960 8.146 -37.066 714 HE1 HIS 94 HE1 HIS 94 26.276 10.007 -36.105 715 HE2 HIS 94 HE2 HIS 94 28.757 10.317 -36.345 716 H HIS 95 H HIS 95 27.056 2.785 -35.621 717 HA HIS 95 HA HIS 95 26.385 0.705 -36.248 718 HB2 HIS 95 2HB HIS 95 24.821 2.049 -37.676 719 HB3 HIS 95 3HB HIS 95 25.977 1.930 -38.994 720 HD1 HIS 95 HD1 HIS 95 25.219 0.254 -40.630 721 HD2 HIS 95 HD2 HIS 95 24.243 -0.852 -36.753 722 HE1 HIS 95 HE1 HIS 95 24.055 -1.952 -40.841 723 HE2 HIS 95 HE2 HIS 95 23.309 -2.507 -38.506 724 H HIS 96 H HIS 96 29.220 1.302 -36.369 725 HA HIS 96 HA HIS 96 30.049 -0.588 -38.485 726 HB2 HIS 96 2HB HIS 96 30.477 1.770 -39.184 727 HB3 HIS 96 3HB HIS 96 31.556 1.945 -37.807 728 HD1 HIS 96 HD1 HIS 96 33.948 1.460 -38.289 729 HD2 HIS 96 HD2 HIS 96 31.410 -0.398 -41.006 730 HE1 HIS 96 HE1 HIS 96 35.451 0.348 -39.961 731 HE2 HIS 96 HE2 HIS 96 33.896 -0.609 -41.686 732 H HIS 97 H HIS 97 29.965 -0.136 -35.263 733 HA HIS 97 HA HIS 97 32.324 -1.854 -34.855 734 HB2 HIS 97 2HB HIS 97 31.528 0.512 -33.147 735 HB3 HIS 97 3HB HIS 97 32.683 -0.711 -32.637 736 HD1 HIS 97 HD1 HIS 97 34.914 -0.868 -34.112 737 HD2 HIS 97 HD2 HIS 97 32.588 2.528 -34.675 738 HE1 HIS 97 HE1 HIS 97 36.413 0.792 -35.249 739 HE2 HIS 97 HE2 HIS 97 35.039 2.887 -35.424 740 H HIS 98 H HIS 98 29.088 -0.942 -33.902 741 HA HIS 98 HA HIS 98 27.411 -2.114 -32.922 742 HB2 HIS 98 2HB HIS 98 27.982 -4.207 -33.826 743 HB3 HIS 98 3HB HIS 98 29.460 -4.322 -32.878 744 HD1 HIS 98 HD1 HIS 98 26.043 -3.573 -31.436 745 HD2 HIS 98 HD2 HIS 98 28.872 -6.608 -31.479 746 HE1 HIS 98 HE1 HIS 98 25.258 -5.240 -29.740 747 HE2 HIS 98 HE2 HIS 98 27.112 -6.928 -29.609 748 H HIS 99 H HIS 99 26.838 -1.120 -31.138 749 HA HIS 99 HA HIS 99 28.361 -1.619 -28.655 750 HB2 HIS 99 2HB HIS 99 28.807 0.669 -29.486 751 HB3 HIS 99 3HB HIS 99 27.081 1.009 -29.479 752 HD1 HIS 99 HD1 HIS 99 25.971 0.689 -26.938 753 HD2 HIS 99 HD2 HIS 99 30.048 1.461 -27.212 754 HE1 HIS 99 HE1 HIS 99 26.642 1.586 -24.691 755 HE2 HIS 99 HE2 HIS 99 29.068 2.208 -24.937 Start of MODEL 14 1 H1 GLU 1 1H GLU 1 1.772 0.851 -1.331 2 H2 GLU 1 2H GLU 1 1.194 1.744 -2.641 3 H3 GLU 1 3H GLU 1 2.421 2.376 -1.670 4 HA GLU 1 HA GLU 1 3.321 1.588 -3.745 5 HB2 GLU 1 2HB GLU 1 4.066 -0.139 -1.371 6 HB3 GLU 1 3HB GLU 1 5.035 0.048 -2.827 7 HG2 GLU 1 2HG GLU 1 5.271 2.447 -2.348 8 HG3 GLU 1 3HG GLU 1 4.328 2.234 -0.873 9 H ASP 2 H ASP 2 2.205 0.596 -5.349 10 HA ASP 2 HA ASP 2 2.145 -2.336 -5.254 11 HB2 ASP 2 2HB ASP 2 -0.081 -2.435 -6.232 12 HB3 ASP 2 3HB ASP 2 -0.151 -1.513 -4.739 13 HA PRO 3 HA PRO 3 4.054 -2.442 -9.210 14 HB2 PRO 3 2HB PRO 3 2.216 -3.810 -10.831 15 HB3 PRO 3 3HB PRO 3 3.461 -4.538 -9.813 16 HG2 PRO 3 2HG PRO 3 0.557 -4.095 -9.240 17 HG3 PRO 3 3HG PRO 3 1.586 -5.481 -8.826 18 HD2 PRO 3 2HD PRO 3 0.929 -3.692 -6.975 19 HD3 PRO 3 3HD PRO 3 2.572 -4.362 -7.025 20 H GLU 4 H GLU 4 0.887 -0.947 -9.147 21 HA GLU 4 HA GLU 4 1.143 0.107 -11.850 22 HB2 GLU 4 2HB GLU 4 -0.885 0.673 -9.680 23 HB3 GLU 4 3HB GLU 4 -0.930 1.397 -11.281 24 HG2 GLU 4 2HG GLU 4 -1.124 -0.868 -12.260 25 HG3 GLU 4 3HG GLU 4 -1.180 -1.536 -10.628 26 H ASP 5 H ASP 5 2.033 1.117 -8.646 27 HA ASP 5 HA ASP 5 2.230 3.904 -9.118 28 HB2 ASP 5 2HB ASP 5 3.649 2.082 -7.175 29 HB3 ASP 5 3HB ASP 5 3.973 3.811 -7.238 30 HA PRO 6 HA PRO 6 5.499 4.202 -12.180 31 HB2 PRO 6 2HB PRO 6 6.127 6.631 -10.553 32 HB3 PRO 6 3HB PRO 6 5.944 6.465 -12.302 33 HG2 PRO 6 2HG PRO 6 4.027 7.517 -10.707 34 HG3 PRO 6 3HG PRO 6 3.663 6.659 -12.212 35 HD2 PRO 6 2HD PRO 6 3.190 5.844 -9.429 36 HD3 PRO 6 3HD PRO 6 2.477 5.207 -10.923 37 H PHE 7 H PHE 7 6.393 5.314 -8.900 38 HA PHE 7 HA PHE 7 9.100 4.663 -9.021 39 HB2 PHE 7 2HB PHE 7 8.314 6.117 -7.282 40 HB3 PHE 7 3HB PHE 7 7.228 4.881 -6.653 41 HD1 PHE 7 HD1 PHE 7 10.859 5.535 -7.244 42 HD2 PHE 7 HD2 PHE 7 7.918 3.564 -4.869 43 HE1 PHE 7 HE1 PHE 7 12.615 4.776 -5.699 44 HE2 PHE 7 HE2 PHE 7 9.674 2.807 -3.323 45 HZ PHE 7 HZ PHE 7 12.024 3.412 -3.734 46 H THR 8 H THR 8 6.352 2.636 -8.034 47 HA THR 8 HA THR 8 7.956 0.571 -6.886 48 HB THR 8 HB THR 8 5.118 0.362 -7.931 49 HG1 THR 8 HG1 THR 8 4.502 1.072 -5.987 50 HG21 THR 8 3HG2 THR 8 6.653 -1.408 -6.010 51 HG22 THR 8 1HG2 THR 8 6.164 -1.838 -7.650 52 HG23 THR 8 2HG2 THR 8 4.942 -1.569 -6.408 53 H ARG 9 H ARG 9 6.146 0.649 -9.980 54 HA ARG 9 HA ARG 9 7.236 -1.738 -11.018 55 HB2 ARG 9 2HB ARG 9 6.497 -0.786 -13.257 56 HB3 ARG 9 3HB ARG 9 5.253 -0.905 -12.020 57 HG2 ARG 9 2HG ARG 9 5.884 1.565 -11.508 58 HG3 ARG 9 3HG ARG 9 6.598 1.528 -13.117 59 HD2 ARG 9 2HD ARG 9 3.741 0.755 -12.532 60 HD3 ARG 9 3HD ARG 9 4.235 2.376 -13.009 61 HE ARG 9 HE ARG 9 4.887 1.488 -15.139 62 HH11 ARG 9 1HH1 ARG 9 3.135 -0.726 -13.157 63 HH12 ARG 9 2HH1 ARG 9 2.529 -1.618 -14.509 64 HH21 ARG 9 1HH2 ARG 9 4.115 0.323 -16.853 65 HH22 ARG 9 2HH2 ARG 9 3.126 -1.067 -16.570 66 H TYR 10 H TYR 10 8.425 1.566 -11.069 67 HA TYR 10 HA TYR 10 10.652 1.179 -12.786 68 HB2 TYR 10 2HB TYR 10 9.887 3.397 -12.319 69 HB3 TYR 10 3HB TYR 10 10.028 3.158 -10.586 70 HD1 TYR 10 HD1 TYR 10 11.991 3.604 -13.712 71 HD2 TYR 10 HD2 TYR 10 12.038 3.662 -9.455 72 HE1 TYR 10 HE1 TYR 10 14.207 4.670 -13.754 73 HE2 TYR 10 HE2 TYR 10 14.254 4.718 -9.488 74 HH TYR 10 HH TYR 10 15.537 6.211 -12.088 75 H ALA 11 H ALA 11 10.235 0.876 -9.277 76 HA ALA 11 HA ALA 11 12.928 0.311 -8.629 77 HB1 ALA 11 3HB ALA 11 11.314 1.027 -6.950 78 HB2 ALA 11 1HB ALA 11 12.041 -0.514 -6.494 79 HB3 ALA 11 2HB ALA 11 10.407 -0.471 -7.158 80 H LEU 12 H LEU 12 10.155 -1.865 -9.234 81 HA LEU 12 HA LEU 12 11.546 -4.287 -8.979 82 HB2 LEU 12 2HB LEU 12 9.051 -3.471 -10.414 83 HB3 LEU 12 3HB LEU 12 9.722 -5.060 -10.729 84 HG LEU 12 HG LEU 12 7.986 -5.223 -9.050 85 HD11 LEU 12 1HD1 LEU 12 10.720 -5.591 -7.834 86 HD12 LEU 12 2HD1 LEU 12 9.866 -6.748 -8.855 87 HD13 LEU 12 3HD1 LEU 12 9.226 -6.336 -7.265 88 HD21 LEU 12 3HD2 LEU 12 8.155 -4.132 -6.878 89 HD22 LEU 12 1HD2 LEU 12 8.085 -2.937 -8.173 90 HD23 LEU 12 2HD2 LEU 12 9.624 -3.302 -7.392 91 H ALA 13 H ALA 13 11.134 -2.179 -11.810 92 HA ALA 13 HA ALA 13 12.399 -3.732 -13.740 93 HB1 ALA 13 3HB ALA 13 12.899 -1.636 -14.895 94 HB2 ALA 13 1HB ALA 13 12.547 -0.732 -13.422 95 HB3 ALA 13 2HB ALA 13 11.262 -1.624 -14.239 96 H GLN 14 H GLN 14 13.890 -1.367 -11.511 97 HA GLN 14 HA GLN 14 16.570 -1.831 -12.194 98 HB2 GLN 14 2HB GLN 14 15.397 -1.045 -9.515 99 HB3 GLN 14 3HB GLN 14 17.097 -0.914 -9.948 100 HG2 GLN 14 2HG GLN 14 16.561 0.709 -11.672 101 HG3 GLN 14 3HG GLN 14 14.841 0.540 -11.323 102 HE21 GLN 14 1HE2 GLN 14 17.883 1.792 -10.186 103 HE22 GLN 14 2HE2 GLN 14 17.221 2.824 -8.971 104 H GLU 15 H GLU 15 14.567 -3.373 -9.672 105 HA GLU 15 HA GLU 15 16.446 -5.149 -8.636 106 HB2 GLU 15 2HB GLU 15 13.509 -4.961 -8.693 107 HB3 GLU 15 3HB GLU 15 14.107 -6.602 -8.510 108 HG2 GLU 15 2HG GLU 15 15.052 -4.345 -6.762 109 HG3 GLU 15 3HG GLU 15 13.617 -5.299 -6.385 110 H HIS 16 H HIS 16 14.367 -5.531 -11.491 111 HA HIS 16 HA HIS 16 15.158 -8.182 -12.086 112 HB2 HIS 16 2HB HIS 16 13.974 -5.984 -13.782 113 HB3 HIS 16 3HB HIS 16 14.402 -7.550 -14.468 114 HD1 HIS 16 HD1 HIS 16 13.175 -9.671 -13.220 115 HD2 HIS 16 HD2 HIS 16 11.484 -5.911 -12.683 116 HE1 HIS 16 HE1 HIS 16 10.849 -10.088 -12.390 117 HE2 HIS 16 HE2 HIS 16 9.822 -7.813 -12.133 118 H LEU 17 H LEU 17 16.406 -5.045 -13.296 119 HA LEU 17 HA LEU 17 18.478 -5.996 -14.897 120 HB2 LEU 17 2HB LEU 17 18.401 -3.552 -13.117 121 HB3 LEU 17 3HB LEU 17 19.663 -3.858 -14.296 122 HG LEU 17 HG LEU 17 16.732 -3.480 -14.946 123 HD11 LEU 17 1HD1 LEU 17 17.428 -1.333 -15.899 124 HD12 LEU 17 2HD1 LEU 17 19.070 -1.604 -15.314 125 HD13 LEU 17 3HD1 LEU 17 17.747 -1.408 -14.165 126 HD21 LEU 17 3HD2 LEU 17 17.856 -4.948 -16.543 127 HD22 LEU 17 1HD2 LEU 17 19.132 -3.750 -16.765 128 HD23 LEU 17 2HD2 LEU 17 17.484 -3.390 -17.278 129 H LYS 18 H LYS 18 18.470 -5.389 -11.402 130 HA LYS 18 HA LYS 18 21.132 -6.144 -10.860 131 HB2 LYS 18 2HB LYS 18 18.678 -6.277 -9.088 132 HB3 LYS 18 3HB LYS 18 20.337 -6.425 -8.516 133 HG2 LYS 18 2HG LYS 18 20.825 -4.163 -9.104 134 HG3 LYS 18 3HG LYS 18 19.295 -3.995 -9.968 135 HD2 LYS 18 2HD LYS 18 19.204 -2.890 -7.783 136 HD3 LYS 18 3HD LYS 18 18.069 -4.237 -7.860 137 HE2 LYS 18 2HE LYS 18 19.232 -4.197 -5.716 138 HE3 LYS 18 3HE LYS 18 19.654 -5.645 -6.630 139 HZ1 LYS 18 3HZ LYS 18 21.596 -4.636 -5.611 140 HZ2 LYS 18 1HZ LYS 18 21.306 -3.183 -6.427 141 HZ3 LYS 18 2HZ LYS 18 21.718 -4.572 -7.296 142 H HIS 19 H HIS 19 18.160 -8.031 -11.121 143 HA HIS 19 HA HIS 19 19.499 -10.496 -10.292 144 HB2 HIS 19 2HB HIS 19 16.642 -10.002 -11.180 145 HB3 HIS 19 3HB HIS 19 17.262 -11.524 -10.551 146 HD1 HIS 19 HD1 HIS 19 15.207 -11.025 -8.818 147 HD2 HIS 19 HD2 HIS 19 18.604 -8.671 -8.437 148 HE1 HIS 19 HE1 HIS 19 15.039 -9.969 -6.555 149 HE2 HIS 19 HE2 HIS 19 16.967 -8.362 -6.463 150 H ASP 20 H ASP 20 19.989 -8.958 -12.922 151 HA ASP 20 HA ASP 20 20.828 -9.542 -14.950 152 HB2 ASP 20 2HB ASP 20 21.572 -11.617 -13.722 153 HB3 ASP 20 3HB ASP 20 20.113 -12.411 -14.305 154 H ASN 21 H ASN 21 17.666 -9.783 -14.110 155 HA ASN 21 HA ASN 21 16.537 -10.880 -16.519 156 HB2 ASN 21 2HB ASN 21 15.223 -9.165 -14.396 157 HB3 ASN 21 3HB ASN 21 14.397 -10.129 -15.613 158 HD21 ASN 21 1HD2 ASN 21 15.967 -12.434 -15.458 159 HD22 ASN 21 2HD2 ASN 21 15.698 -13.173 -13.923 160 H ALA 22 H ALA 22 17.983 -9.409 -17.880 161 HA ALA 22 HA ALA 22 17.588 -6.628 -18.020 162 HB1 ALA 22 3HB ALA 22 18.756 -6.731 -20.147 163 HB2 ALA 22 1HB ALA 22 18.515 -8.479 -20.217 164 HB3 ALA 22 2HB ALA 22 19.538 -7.779 -18.963 165 H SER 23 H SER 23 16.195 -9.203 -20.082 166 HA SER 23 HA SER 23 14.615 -7.493 -21.686 167 HB2 SER 23 2HB SER 23 15.163 -9.810 -22.335 168 HB3 SER 23 3HB SER 23 14.154 -10.416 -21.022 169 HG SER 23 HG SER 23 12.377 -9.872 -22.111 170 H ARG 24 H ARG 24 13.881 -9.266 -18.709 171 HA ARG 24 HA ARG 24 11.139 -8.657 -18.549 172 HB2 ARG 24 2HB ARG 24 13.118 -9.140 -16.308 173 HB3 ARG 24 3HB ARG 24 11.370 -9.206 -16.145 174 HG2 ARG 24 2HG ARG 24 13.038 -11.005 -17.896 175 HG3 ARG 24 3HG ARG 24 12.351 -11.437 -16.330 176 HD2 ARG 24 2HD ARG 24 10.136 -11.347 -17.169 177 HD3 ARG 24 3HD ARG 24 10.644 -10.516 -18.640 178 HE ARG 24 HE ARG 24 11.957 -12.951 -18.607 179 HH11 ARG 24 1HH1 ARG 24 8.687 -11.850 -18.714 180 HH12 ARG 24 2HH1 ARG 24 8.157 -13.194 -19.663 181 HH21 ARG 24 1HH2 ARG 24 11.268 -14.663 -19.814 182 HH22 ARG 24 2HH2 ARG 24 9.604 -14.774 -20.276 183 H ALA 25 H ALA 25 13.964 -6.928 -17.232 184 HA ALA 25 HA ALA 25 12.522 -4.771 -16.088 185 HB1 ALA 25 3HB ALA 25 15.352 -4.805 -17.141 186 HB2 ALA 25 1HB ALA 25 14.853 -5.268 -15.514 187 HB3 ALA 25 2HB ALA 25 14.662 -3.599 -16.053 188 H LEU 26 H LEU 26 13.982 -5.248 -19.283 189 HA LEU 26 HA LEU 26 13.570 -2.763 -20.436 190 HB2 LEU 26 2HB LEU 26 14.826 -4.639 -21.461 191 HB3 LEU 26 3HB LEU 26 13.316 -5.477 -21.754 192 HG LEU 26 HG LEU 26 12.621 -3.681 -23.301 193 HD11 LEU 26 1HD1 LEU 26 13.859 -1.825 -22.317 194 HD12 LEU 26 2HD1 LEU 26 14.233 -1.999 -24.030 195 HD13 LEU 26 3HD1 LEU 26 15.383 -2.561 -22.815 196 HD21 LEU 26 3HD2 LEU 26 13.777 -5.674 -24.147 197 HD22 LEU 26 1HD2 LEU 26 15.328 -4.854 -23.955 198 HD23 LEU 26 2HD2 LEU 26 14.143 -4.246 -25.113 199 H ALA 27 H ALA 27 11.343 -5.555 -20.413 200 HA ALA 27 HA ALA 27 9.196 -4.397 -21.768 201 HB1 ALA 27 3HB ALA 27 7.812 -6.127 -20.727 202 HB2 ALA 27 1HB ALA 27 9.095 -6.462 -19.563 203 HB3 ALA 27 2HB ALA 27 9.352 -6.788 -21.278 204 H LEU 28 H LEU 28 10.056 -4.206 -18.335 205 HA LEU 28 HA LEU 28 7.690 -2.840 -17.524 206 HB2 LEU 28 2HB LEU 28 10.425 -2.953 -16.249 207 HB3 LEU 28 3HB LEU 28 9.015 -2.228 -15.495 208 HG LEU 28 HG LEU 28 9.330 -5.146 -16.235 209 HD11 LEU 28 1HD1 LEU 28 9.344 -5.540 -13.838 210 HD12 LEU 28 2HD1 LEU 28 9.224 -3.807 -13.532 211 HD13 LEU 28 3HD1 LEU 28 10.667 -4.470 -14.298 212 HD21 LEU 28 3HD2 LEU 28 7.188 -5.463 -15.064 213 HD22 LEU 28 1HD2 LEU 28 7.013 -4.445 -16.493 214 HD23 LEU 28 2HD2 LEU 28 7.033 -3.714 -14.888 215 H PHE 29 H PHE 29 10.958 -1.650 -18.396 216 HA PHE 29 HA PHE 29 10.410 1.088 -18.011 217 HB2 PHE 29 2HB PHE 29 12.401 -0.309 -19.806 218 HB3 PHE 29 3HB PHE 29 12.320 1.443 -19.663 219 HD1 PHE 29 HD2 PHE 29 12.269 2.256 -17.089 220 HD2 PHE 29 HD1 PHE 29 14.002 -1.362 -18.519 221 HE1 PHE 29 HE2 PHE 29 13.744 2.189 -15.122 222 HE2 PHE 29 HE1 PHE 29 15.479 -1.432 -16.554 223 HZ PHE 29 HZ PHE 29 15.354 0.344 -14.854 224 H GLU 30 H GLU 30 10.237 -0.868 -21.005 225 HA GLU 30 HA GLU 30 9.328 1.158 -22.713 226 HB2 GLU 30 2HB GLU 30 8.710 -1.809 -22.818 227 HB3 GLU 30 3HB GLU 30 8.460 -0.676 -24.139 228 HG2 GLU 30 2HG GLU 30 10.897 -0.211 -24.145 229 HG3 GLU 30 3HG GLU 30 11.103 -1.449 -22.909 230 H GLU 31 H GLU 31 7.569 -0.935 -20.492 231 HA GLU 31 HA GLU 31 4.959 -0.068 -21.281 232 HB2 GLU 31 2HB GLU 31 5.464 -2.233 -20.139 233 HB3 GLU 31 3HB GLU 31 5.819 -1.335 -18.670 234 HG2 GLU 31 2HG GLU 31 3.536 -0.573 -18.528 235 HG3 GLU 31 3HG GLU 31 3.154 -1.311 -20.083 236 H LEU 32 H LEU 32 7.304 1.008 -18.877 237 HA LEU 32 HA LEU 32 5.686 2.829 -17.470 238 HB2 LEU 32 2HB LEU 32 8.603 2.461 -17.886 239 HB3 LEU 32 3HB LEU 32 8.094 4.046 -17.339 240 HG LEU 32 HG LEU 32 7.399 1.474 -15.907 241 HD11 LEU 32 1HD1 LEU 32 9.123 2.091 -14.289 242 HD12 LEU 32 2HD1 LEU 32 9.582 3.471 -15.288 243 HD13 LEU 32 3HD1 LEU 32 9.821 1.828 -15.888 244 HD21 LEU 32 3HD2 LEU 32 6.861 3.026 -14.045 245 HD22 LEU 32 1HD2 LEU 32 5.824 3.254 -15.452 246 HD23 LEU 32 2HD2 LEU 32 7.138 4.386 -15.132 247 H VAL 33 H VAL 33 7.394 3.152 -20.540 248 HA VAL 33 HA VAL 33 7.170 5.925 -20.890 249 HB VAL 33 HB VAL 33 7.104 3.769 -23.021 250 HG11 VAL 33 1HG1 VAL 33 7.918 5.510 -24.547 251 HG12 VAL 33 2HG1 VAL 33 7.773 6.710 -23.262 252 HG13 VAL 33 3HG1 VAL 33 6.330 5.915 -23.893 253 HG21 VAL 33 3HG2 VAL 33 9.522 4.162 -23.205 254 HG22 VAL 33 1HG2 VAL 33 9.077 3.603 -21.593 255 HG23 VAL 33 2HG2 VAL 33 9.438 5.308 -21.865 256 H GLU 34 H GLU 34 4.875 3.332 -21.718 257 HA GLU 34 HA GLU 34 2.997 5.185 -22.895 258 HB2 GLU 34 2HB GLU 34 1.536 3.164 -23.130 259 HB3 GLU 34 3HB GLU 34 3.107 3.032 -23.904 260 HG2 GLU 34 2HG GLU 34 3.906 1.743 -21.930 261 HG3 GLU 34 3HG GLU 34 2.261 1.776 -21.300 262 H THR 35 H THR 35 3.359 3.620 -19.756 263 HA THR 35 HA THR 35 0.731 4.393 -18.835 264 HB THR 35 HB THR 35 1.463 3.700 -16.597 265 HG1 THR 35 HG1 THR 35 3.561 4.141 -16.336 266 HG21 THR 35 3HG2 THR 35 2.316 1.756 -18.750 267 HG22 THR 35 1HG2 THR 35 0.679 1.963 -18.128 268 HG23 THR 35 2HG2 THR 35 1.950 1.336 -17.076 269 H ASP 36 H ASP 36 4.036 5.520 -18.100 270 HA ASP 36 HA ASP 36 2.898 8.126 -17.290 271 HB2 ASP 36 2HB ASP 36 5.284 6.700 -16.078 272 HB3 ASP 36 3HB ASP 36 4.743 8.319 -15.646 273 HA PRO 37 HA PRO 37 5.756 8.789 -20.897 274 HB2 PRO 37 2HB PRO 37 4.351 10.901 -21.922 275 HB3 PRO 37 3HB PRO 37 3.979 9.212 -22.283 276 HG2 PRO 37 2HG PRO 37 2.694 11.046 -20.283 277 HG3 PRO 37 3HG PRO 37 1.928 9.921 -21.422 278 HD2 PRO 37 2HD PRO 37 2.254 9.304 -18.822 279 HD3 PRO 37 3HD PRO 37 2.382 8.071 -20.095 280 H ASP 38 H ASP 38 4.686 10.861 -18.314 281 HA ASP 38 HA ASP 38 6.601 12.961 -18.942 282 HB2 ASP 38 2HB ASP 38 5.727 14.042 -16.898 283 HB3 ASP 38 3HB ASP 38 4.442 13.599 -18.018 284 H TYR 39 H TYR 39 6.721 9.986 -17.361 285 HA TYR 39 HA TYR 39 8.485 10.694 -15.204 286 HB2 TYR 39 2HB TYR 39 6.879 8.700 -15.291 287 HB3 TYR 39 3HB TYR 39 8.054 7.922 -16.342 288 HD1 TYR 39 HD1 TYR 39 8.576 9.983 -13.264 289 HD2 TYR 39 HD2 TYR 39 8.930 6.149 -15.086 290 HE1 TYR 39 HE1 TYR 39 9.741 9.144 -11.272 291 HE2 TYR 39 HE2 TYR 39 10.104 5.309 -13.097 292 HH TYR 39 HH TYR 39 11.401 6.188 -11.215 293 H VAL 40 H VAL 40 10.125 11.849 -16.329 294 HA VAL 40 HA VAL 40 11.564 11.068 -18.553 295 HB VAL 40 HB VAL 40 12.654 12.643 -16.207 296 HG11 VAL 40 1HG1 VAL 40 14.155 13.662 -17.870 297 HG12 VAL 40 2HG1 VAL 40 13.530 12.565 -19.101 298 HG13 VAL 40 3HG1 VAL 40 14.424 11.925 -17.722 299 HG21 VAL 40 3HG2 VAL 40 10.556 13.593 -17.030 300 HG22 VAL 40 1HG2 VAL 40 11.189 13.594 -18.676 301 HG23 VAL 40 2HG2 VAL 40 11.919 14.631 -17.450 302 H GLY 41 H GLY 41 12.136 10.116 -15.191 303 HA2 GLY 41 2HA GLY 41 14.666 9.008 -15.338 304 HA3 GLY 41 3HA GLY 41 13.390 8.408 -14.295 305 H THR 42 H THR 42 11.631 7.590 -16.436 306 HA THR 42 HA THR 42 12.467 4.962 -16.902 307 HB THR 42 HB THR 42 10.447 6.603 -18.457 308 HG1 THR 42 HG1 THR 42 8.990 5.837 -17.017 309 HG21 THR 42 3HG2 THR 42 11.172 4.650 -19.752 310 HG22 THR 42 1HG2 THR 42 9.515 4.454 -19.180 311 HG23 THR 42 2HG2 THR 42 10.833 3.605 -18.372 312 H TYR 43 H TYR 43 12.448 7.731 -19.151 313 HA TYR 43 HA TYR 43 13.407 6.358 -21.402 314 HB2 TYR 43 2HB TYR 43 13.723 9.295 -20.725 315 HB3 TYR 43 3HB TYR 43 13.894 8.583 -22.328 316 HD1 TYR 43 HD2 TYR 43 11.907 7.682 -23.501 317 HD2 TYR 43 HD1 TYR 43 11.554 9.735 -19.788 318 HE1 TYR 43 HE2 TYR 43 9.502 7.978 -23.897 319 HE2 TYR 43 HE1 TYR 43 9.144 10.033 -20.175 320 HH TYR 43 HH TYR 43 7.567 10.076 -22.003 321 H TYR 44 H TYR 44 15.161 8.209 -18.932 322 HA TYR 44 HA TYR 44 17.722 8.067 -20.047 323 HB2 TYR 44 2HB TYR 44 17.113 9.533 -18.152 324 HB3 TYR 44 3HB TYR 44 16.967 8.122 -17.111 325 HD1 TYR 44 HD2 TYR 44 19.438 9.876 -19.300 326 HD2 TYR 44 HD1 TYR 44 18.824 7.446 -15.858 327 HE1 TYR 44 HE2 TYR 44 21.823 10.077 -18.739 328 HE2 TYR 44 HE1 TYR 44 21.206 7.645 -15.289 329 HH TYR 44 HH TYR 44 23.233 9.928 -16.655 330 H HIS 45 H HIS 45 16.164 5.875 -17.703 331 HA HIS 45 HA HIS 45 18.410 4.088 -17.624 332 HB2 HIS 45 2HB HIS 45 15.589 3.891 -16.562 333 HB3 HIS 45 3HB HIS 45 16.759 2.585 -16.382 334 HD1 HIS 45 HD1 HIS 45 18.804 3.024 -14.837 335 HD2 HIS 45 HD2 HIS 45 15.994 6.084 -14.863 336 HE1 HIS 45 HE1 HIS 45 19.392 4.494 -12.895 337 HE2 HIS 45 HE2 HIS 45 17.584 6.236 -12.823 338 H LEU 46 H LEU 46 15.480 4.264 -19.526 339 HA LEU 46 HA LEU 46 15.510 1.624 -20.571 340 HB2 LEU 46 2HB LEU 46 13.535 3.061 -20.687 341 HB3 LEU 46 3HB LEU 46 14.386 4.183 -21.731 342 HG LEU 46 HG LEU 46 14.499 2.459 -23.494 343 HD11 LEU 46 1HD1 LEU 46 14.510 0.471 -22.089 344 HD12 LEU 46 2HD1 LEU 46 13.211 0.392 -23.279 345 HD13 LEU 46 3HD1 LEU 46 12.846 0.793 -21.600 346 HD21 LEU 46 3HD2 LEU 46 11.705 2.940 -22.448 347 HD22 LEU 46 1HD2 LEU 46 12.130 2.472 -24.095 348 HD23 LEU 46 2HD2 LEU 46 12.633 4.040 -23.467 349 H GLY 47 H GLY 47 16.854 4.693 -21.781 350 HA2 GLY 47 2HA GLY 47 17.926 3.710 -24.193 351 HA3 GLY 47 3HA GLY 47 18.478 5.142 -23.342 352 H LYS 48 H LYS 48 19.505 4.126 -21.010 353 HA LYS 48 HA LYS 48 22.046 3.213 -21.710 354 HB2 LYS 48 2HB LYS 48 20.657 2.786 -19.050 355 HB3 LYS 48 3HB LYS 48 22.390 2.729 -19.333 356 HG2 LYS 48 2HG LYS 48 20.624 5.160 -19.599 357 HG3 LYS 48 3HG LYS 48 21.729 4.817 -18.273 358 HD2 LYS 48 2HD LYS 48 22.579 5.189 -21.152 359 HD3 LYS 48 3HD LYS 48 22.591 6.467 -19.941 360 HE2 LYS 48 2HE LYS 48 24.803 5.684 -20.008 361 HE3 LYS 48 3HE LYS 48 24.113 4.933 -18.574 362 HZ1 LYS 48 3HZ LYS 48 23.843 2.889 -19.773 363 HZ2 LYS 48 1HZ LYS 48 25.446 3.399 -19.922 364 HZ3 LYS 48 2HZ LYS 48 24.375 3.601 -21.214 365 H LEU 49 H LEU 49 19.133 1.393 -20.965 366 HA LEU 49 HA LEU 49 20.396 -1.164 -20.828 367 HB2 LEU 49 2HB LEU 49 18.195 -0.662 -19.818 368 HB3 LEU 49 3HB LEU 49 17.510 -0.483 -21.422 369 HG LEU 49 HG LEU 49 17.808 -2.829 -21.894 370 HD11 LEU 49 1HD1 LEU 49 18.775 -4.382 -20.254 371 HD12 LEU 49 2HD1 LEU 49 19.198 -3.020 -19.216 372 HD13 LEU 49 3HD1 LEU 49 19.954 -3.190 -20.800 373 HD21 LEU 49 3HD2 LEU 49 16.359 -3.822 -20.202 374 HD22 LEU 49 1HD2 LEU 49 15.814 -2.199 -20.623 375 HD23 LEU 49 2HD2 LEU 49 16.685 -2.471 -19.114 376 H TYR 50 H TYR 50 18.709 0.589 -23.459 377 HA TYR 50 HA TYR 50 18.995 -1.358 -25.462 378 HB2 TYR 50 2HB TYR 50 18.909 1.656 -25.621 379 HB3 TYR 50 3HB TYR 50 19.050 0.657 -27.060 380 HD1 TYR 50 HD2 TYR 50 17.224 -1.508 -26.724 381 HD2 TYR 50 HD1 TYR 50 16.776 2.538 -25.468 382 HE1 TYR 50 HE2 TYR 50 14.780 -1.750 -26.830 383 HE2 TYR 50 HE1 TYR 50 14.332 2.305 -25.576 384 HH TYR 50 HH TYR 50 12.777 -0.726 -25.905 385 H GLU 51 H GLU 51 21.240 1.196 -24.432 386 HA GLU 51 HA GLU 51 23.341 0.844 -26.190 387 HB2 GLU 51 2HB GLU 51 23.408 1.390 -23.213 388 HB3 GLU 51 3HB GLU 51 24.825 1.502 -24.246 389 HG2 GLU 51 2HG GLU 51 23.809 3.303 -25.505 390 HG3 GLU 51 3HG GLU 51 22.315 3.139 -24.582 391 H ARG 52 H ARG 52 22.695 -0.998 -23.212 392 HA ARG 52 HA ARG 52 24.962 -2.694 -23.377 393 HB2 ARG 52 2HB ARG 52 23.539 -2.244 -21.332 394 HB3 ARG 52 3HB ARG 52 22.336 -3.333 -22.010 395 HG2 ARG 52 2HG ARG 52 23.954 -5.172 -21.942 396 HG3 ARG 52 3HG ARG 52 25.174 -4.075 -21.288 397 HD2 ARG 52 2HD ARG 52 23.675 -3.662 -19.342 398 HD3 ARG 52 3HD ARG 52 22.573 -4.882 -19.977 399 HE ARG 52 HE ARG 52 25.248 -5.855 -19.628 400 HH11 ARG 52 1HH1 ARG 52 22.251 -5.282 -18.039 401 HH12 ARG 52 2HH1 ARG 52 22.572 -6.418 -16.780 402 HH21 ARG 52 1HH2 ARG 52 25.647 -7.323 -18.020 403 HH22 ARG 52 2HH2 ARG 52 24.468 -7.581 -16.780 404 H LEU 53 H LEU 53 21.887 -2.755 -24.945 405 HA LEU 53 HA LEU 53 22.191 -5.519 -25.861 406 HB2 LEU 53 2HB LEU 53 20.025 -3.488 -26.434 407 HB3 LEU 53 3HB LEU 53 19.993 -5.176 -26.912 408 HG LEU 53 HG LEU 53 19.967 -4.163 -24.060 409 HD11 LEU 53 1HD1 LEU 53 17.651 -4.966 -24.023 410 HD12 LEU 53 2HD1 LEU 53 17.763 -5.368 -25.738 411 HD13 LEU 53 3HD1 LEU 53 17.878 -3.687 -25.216 412 HD21 LEU 53 3HD2 LEU 53 19.514 -6.494 -23.455 413 HD22 LEU 53 1HD2 LEU 53 21.082 -6.327 -24.244 414 HD23 LEU 53 2HD2 LEU 53 19.707 -6.974 -25.141 415 H ASP 54 H ASP 54 23.751 -2.905 -26.729 416 HA ASP 54 HA ASP 54 24.876 -2.216 -28.575 417 HB2 ASP 54 2HB ASP 54 25.230 -4.603 -29.028 418 HB3 ASP 54 3HB ASP 54 23.693 -4.681 -29.883 419 H ARG 55 H ARG 55 21.658 -2.077 -28.250 420 HA ARG 55 HA ARG 55 20.909 -1.147 -30.892 421 HB2 ARG 55 2HB ARG 55 19.382 -1.003 -28.279 422 HB3 ARG 55 3HB ARG 55 18.718 -0.708 -29.879 423 HG2 ARG 55 2HG ARG 55 19.834 -3.335 -28.903 424 HG3 ARG 55 3HG ARG 55 18.123 -2.923 -29.017 425 HD2 ARG 55 2HD ARG 55 20.078 -3.103 -31.318 426 HD3 ARG 55 3HD ARG 55 18.824 -4.279 -30.919 427 HE ARG 55 HE ARG 55 18.088 -1.511 -31.571 428 HH11 ARG 55 1HH1 ARG 55 18.018 -4.863 -32.373 429 HH12 ARG 55 2HH1 ARG 55 16.747 -4.662 -33.527 430 HH21 ARG 55 1HH2 ARG 55 16.463 -1.271 -33.021 431 HH22 ARG 55 2HH2 ARG 55 15.874 -2.644 -33.896 432 H THR 56 H THR 56 22.826 0.419 -30.685 433 HA THR 56 HA THR 56 22.834 2.589 -28.912 434 HB THR 56 HB THR 56 23.992 2.572 -31.711 435 HG1 THR 56 HG1 THR 56 25.793 2.041 -29.778 436 HG21 THR 56 3HG2 THR 56 24.783 4.120 -29.230 437 HG22 THR 56 1HG2 THR 56 23.995 4.788 -30.661 438 HG23 THR 56 2HG2 THR 56 25.634 4.149 -30.775 439 H ASP 57 H ASP 57 21.698 2.524 -32.317 440 HA ASP 57 HA ASP 57 20.783 5.183 -32.357 441 HB2 ASP 57 2HB ASP 57 20.045 2.777 -34.024 442 HB3 ASP 57 3HB ASP 57 19.403 4.388 -34.341 443 H ASP 58 H ASP 58 19.052 2.172 -31.565 444 HA ASP 58 HA ASP 58 16.502 3.258 -31.161 445 HB2 ASP 58 2HB ASP 58 17.818 0.969 -29.671 446 HB3 ASP 58 3HB ASP 58 16.086 1.293 -29.732 447 H ALA 59 H ALA 59 19.236 2.963 -28.908 448 HA ALA 59 HA ALA 59 18.001 4.060 -26.628 449 HB1 ALA 59 3HB ALA 59 20.269 4.458 -25.808 450 HB2 ALA 59 1HB ALA 59 20.914 4.194 -27.428 451 HB3 ALA 59 2HB ALA 59 20.144 2.868 -26.557 452 H ILE 60 H ILE 60 20.070 5.646 -29.069 453 HA ILE 60 HA ILE 60 19.890 8.260 -28.078 454 HB ILE 60 HB ILE 60 20.250 7.392 -30.956 455 HG12 ILE 60 2HG1 ILE 60 22.364 8.049 -28.881 456 HG13 ILE 60 3HG1 ILE 60 21.876 6.410 -29.301 457 HG21 ILE 60 1HG2 ILE 60 20.967 10.000 -29.599 458 HG22 ILE 60 2HG2 ILE 60 19.681 9.761 -30.781 459 HG23 ILE 60 3HG2 ILE 60 21.364 9.560 -31.261 460 HD11 ILE 60 3HD1 ILE 60 23.940 7.090 -30.412 461 HD12 ILE 60 1HD1 ILE 60 23.076 8.407 -31.205 462 HD13 ILE 60 2HD1 ILE 60 22.656 6.732 -31.565 463 H ASP 61 H ASP 61 17.847 6.572 -30.440 464 HA ASP 61 HA ASP 61 16.139 8.707 -31.096 465 HB2 ASP 61 2HB ASP 61 16.239 6.593 -32.359 466 HB3 ASP 61 3HB ASP 61 15.532 5.739 -30.992 467 H THR 62 H THR 62 15.878 6.222 -28.560 468 HA THR 62 HA THR 62 13.491 7.119 -27.370 469 HB THR 62 HB THR 62 15.855 5.708 -26.099 470 HG1 THR 62 HG1 THR 62 14.752 4.508 -27.729 471 HG21 THR 62 3HG2 THR 62 14.306 5.080 -24.289 472 HG22 THR 62 1HG2 THR 62 13.063 6.109 -25.001 473 HG23 THR 62 2HG2 THR 62 14.541 6.827 -24.361 474 H TYR 63 H TYR 63 16.870 8.089 -26.800 475 HA TYR 63 HA TYR 63 16.343 9.940 -24.725 476 HB2 TYR 63 2HB TYR 63 18.600 9.853 -26.740 477 HB3 TYR 63 3HB TYR 63 18.542 10.974 -25.385 478 HD1 TYR 63 HD2 TYR 63 17.683 9.390 -23.143 479 HD2 TYR 63 HD1 TYR 63 20.259 8.283 -26.342 480 HE1 TYR 63 HE2 TYR 63 18.751 7.712 -21.696 481 HE2 TYR 63 HE1 TYR 63 21.333 6.605 -24.910 482 HH TYR 63 HH TYR 63 21.637 6.021 -22.663 483 H ALA 64 H ALA 64 16.321 10.260 -28.245 484 HA ALA 64 HA ALA 64 16.063 13.051 -28.430 485 HB1 ALA 64 3HB ALA 64 16.582 11.636 -30.355 486 HB2 ALA 64 1HB ALA 64 15.172 12.645 -30.678 487 HB3 ALA 64 2HB ALA 64 14.964 10.936 -30.292 488 H GLN 65 H GLN 65 13.492 10.560 -28.500 489 HA GLN 65 HA GLN 65 11.315 12.356 -28.306 490 HB2 GLN 65 2HB GLN 65 11.310 9.858 -28.949 491 HB3 GLN 65 3HB GLN 65 11.316 9.528 -27.225 492 HG2 GLN 65 2HG GLN 65 9.218 11.274 -28.478 493 HG3 GLN 65 3HG GLN 65 9.076 9.521 -28.488 494 HE21 GLN 65 1HE2 GLN 65 10.232 9.148 -25.857 495 HE22 GLN 65 2HE2 GLN 65 9.055 9.717 -24.729 496 H GLY 66 H GLY 66 13.352 10.783 -25.903 497 HA2 GLY 66 2HA GLY 66 11.993 11.570 -23.567 498 HA3 GLY 66 3HA GLY 66 13.712 11.223 -23.679 499 H ILE 67 H ILE 67 14.394 13.298 -25.533 500 HA ILE 67 HA ILE 67 14.850 15.508 -23.888 501 HB ILE 67 HB ILE 67 14.824 15.235 -26.898 502 HG12 ILE 67 2HG1 ILE 67 17.089 15.578 -24.910 503 HG13 ILE 67 3HG1 ILE 67 16.604 14.058 -25.654 504 HG21 ILE 67 1HG2 ILE 67 15.636 17.685 -25.327 505 HG22 ILE 67 2HG2 ILE 67 14.273 17.556 -26.436 506 HG23 ILE 67 3HG2 ILE 67 15.921 17.434 -27.048 507 HD11 ILE 67 3HD1 ILE 67 18.573 14.975 -26.727 508 HD12 ILE 67 1HD1 ILE 67 17.702 16.463 -27.096 509 HD13 ILE 67 2HD1 ILE 67 17.213 14.944 -27.848 510 H GLU 68 H GLU 68 12.302 14.967 -26.296 511 HA GLU 68 HA GLU 68 11.049 17.452 -26.200 512 HB2 GLU 68 2HB GLU 68 9.685 14.773 -26.586 513 HB3 GLU 68 3HB GLU 68 9.100 16.340 -27.133 514 HG2 GLU 68 2HG GLU 68 11.072 16.520 -28.618 515 HG3 GLU 68 3HG GLU 68 11.559 14.902 -28.121 516 H VAL 69 H VAL 69 10.193 14.510 -24.347 517 HA VAL 69 HA VAL 69 8.231 15.837 -22.757 518 HB VAL 69 HB VAL 69 8.104 13.808 -21.440 519 HG11 VAL 69 1HG1 VAL 69 8.508 13.188 -24.369 520 HG12 VAL 69 2HG1 VAL 69 7.024 13.780 -23.620 521 HG13 VAL 69 3HG1 VAL 69 7.638 12.177 -23.214 522 HG21 VAL 69 3HG2 VAL 69 10.496 13.353 -21.182 523 HG22 VAL 69 1HG2 VAL 69 10.602 12.900 -22.884 524 HG23 VAL 69 2HG2 VAL 69 9.640 11.928 -21.769 525 H ALA 70 H ALA 70 11.680 15.308 -22.343 526 HA ALA 70 HA ALA 70 11.805 15.797 -19.549 527 HB1 ALA 70 3HB ALA 70 13.598 14.668 -20.812 528 HB2 ALA 70 1HB ALA 70 14.195 16.019 -19.848 529 HB3 ALA 70 2HB ALA 70 13.992 16.202 -21.591 530 H ARG 71 H ARG 71 12.301 17.948 -22.347 531 HA ARG 71 HA ARG 71 12.960 20.218 -20.738 532 HB2 ARG 71 2HB ARG 71 12.906 21.488 -22.815 533 HB3 ARG 71 3HB ARG 71 13.768 19.973 -23.047 534 HG2 ARG 71 2HG ARG 71 11.709 19.018 -24.067 535 HG3 ARG 71 3HG ARG 71 10.952 20.606 -23.935 536 HD2 ARG 71 2HD ARG 71 13.425 19.916 -25.531 537 HD3 ARG 71 3HD ARG 71 11.823 20.271 -26.178 538 HE ARG 71 HE ARG 71 12.325 22.521 -24.859 539 HH11 ARG 71 1HH1 ARG 71 14.359 20.693 -26.962 540 HH12 ARG 71 2HH1 ARG 71 15.243 22.078 -27.492 541 HH21 ARG 71 1HH2 ARG 71 13.483 24.303 -25.568 542 HH22 ARG 71 2HH2 ARG 71 14.752 24.084 -26.725 543 H GLU 72 H GLU 72 9.951 19.056 -22.197 544 HA GLU 72 HA GLU 72 8.520 21.484 -21.478 545 HB2 GLU 72 2HB GLU 72 7.497 18.922 -22.725 546 HB3 GLU 72 3HB GLU 72 6.584 20.415 -22.553 547 HG2 GLU 72 2HG GLU 72 9.058 20.019 -24.233 548 HG3 GLU 72 3HG GLU 72 7.404 20.157 -24.823 549 H GLU 73 H GLU 73 8.314 18.022 -20.588 550 HA GLU 73 HA GLU 73 6.261 18.593 -18.604 551 HB2 GLU 73 2HB GLU 73 7.550 15.980 -19.430 552 HB3 GLU 73 3HB GLU 73 6.192 16.132 -18.324 553 HG2 GLU 73 2HG GLU 73 6.076 17.168 -21.143 554 HG3 GLU 73 3HG GLU 73 5.678 15.500 -20.739 555 H GLY 74 H GLY 74 9.634 17.488 -18.643 556 HA2 GLY 74 2HA GLY 74 9.604 17.177 -15.723 557 HA3 GLY 74 3HA GLY 74 10.877 16.648 -16.807 558 H THR 75 H THR 75 12.634 17.910 -17.072 559 HA THR 75 HA THR 75 12.695 20.725 -16.543 560 HB THR 75 HB THR 75 12.691 20.137 -14.223 561 HG1 THR 75 HG1 THR 75 14.320 21.432 -13.856 562 HG21 THR 75 3HG2 THR 75 13.269 17.758 -14.448 563 HG22 THR 75 1HG2 THR 75 14.269 18.553 -13.231 564 HG23 THR 75 2HG2 THR 75 14.934 18.201 -14.826 565 H GLN 76 H GLN 76 14.875 21.648 -16.803 566 HA GLN 76 HA GLN 76 16.215 20.443 -19.001 567 HB2 GLN 76 2HB GLN 76 16.045 22.900 -18.637 568 HB3 GLN 76 3HB GLN 76 17.156 22.749 -17.280 569 HG2 GLN 76 2HG GLN 76 18.868 21.855 -18.834 570 HG3 GLN 76 3HG GLN 76 17.754 22.135 -20.172 571 HE21 GLN 76 1HE2 GLN 76 17.300 24.267 -20.788 572 HE22 GLN 76 2HE2 GLN 76 18.312 25.582 -20.316 573 H LYS 77 H LYS 77 16.753 20.325 -15.555 574 HA LYS 77 HA LYS 77 19.487 19.636 -15.537 575 HB2 LYS 77 2HB LYS 77 18.235 20.318 -13.521 576 HB3 LYS 77 3HB LYS 77 17.342 18.802 -13.569 577 HG2 LYS 77 2HG LYS 77 19.401 17.551 -13.194 578 HG3 LYS 77 3HG LYS 77 20.329 19.053 -13.205 579 HD2 LYS 77 2HD LYS 77 19.096 19.828 -11.229 580 HD3 LYS 77 3HD LYS 77 18.160 18.332 -11.223 581 HE2 LYS 77 2HE LYS 77 20.220 17.048 -10.862 582 HE3 LYS 77 3HE LYS 77 21.154 18.544 -10.863 583 HZ1 LYS 77 3HZ LYS 77 20.655 17.732 -8.619 584 HZ2 LYS 77 1HZ LYS 77 19.001 17.893 -8.926 585 HZ3 LYS 77 2HZ LYS 77 19.994 19.263 -8.899 586 H ASP 78 H ASP 78 16.614 17.504 -15.447 587 HA ASP 78 HA ASP 78 18.112 15.108 -15.821 588 HB2 ASP 78 2HB ASP 78 15.168 15.720 -16.183 589 HB3 ASP 78 3HB ASP 78 15.855 14.106 -16.342 590 H LEU 79 H LEU 79 16.597 17.406 -18.015 591 HA LEU 79 HA LEU 79 16.797 16.032 -20.429 592 HB2 LEU 79 2HB LEU 79 15.698 18.178 -20.296 593 HB3 LEU 79 3HB LEU 79 17.189 18.963 -19.814 594 HG LEU 79 HG LEU 79 18.145 18.511 -22.049 595 HD11 LEU 79 1HD1 LEU 79 16.891 16.500 -22.588 596 HD12 LEU 79 2HD1 LEU 79 16.723 17.714 -23.853 597 HD13 LEU 79 3HD1 LEU 79 15.403 17.441 -22.713 598 HD21 LEU 79 3HD2 LEU 79 15.492 19.962 -22.096 599 HD22 LEU 79 1HD2 LEU 79 16.782 20.128 -23.290 600 HD23 LEU 79 2HD2 LEU 79 17.050 20.645 -21.627 601 H SER 80 H SER 80 19.275 17.954 -18.741 602 HA SER 80 HA SER 80 21.358 17.754 -20.577 603 HB2 SER 80 2HB SER 80 21.542 17.772 -17.548 604 HB3 SER 80 3HB SER 80 22.882 18.097 -18.646 605 HG SER 80 HG SER 80 21.621 19.954 -17.741 606 H GLU 81 H GLU 81 20.356 15.449 -18.074 607 HA GLU 81 HA GLU 81 22.414 13.566 -18.328 608 HB2 GLU 81 2HB GLU 81 19.485 13.080 -17.720 609 HB3 GLU 81 3HB GLU 81 20.780 11.927 -17.439 610 HG2 GLU 81 2HG GLU 81 20.521 14.619 -16.110 611 HG3 GLU 81 3HG GLU 81 20.079 13.070 -15.392 612 H LEU 82 H LEU 82 19.334 13.816 -20.081 613 HA LEU 82 HA LEU 82 19.669 11.510 -21.685 614 HB2 LEU 82 2HB LEU 82 18.058 14.002 -22.266 615 HB3 LEU 82 3HB LEU 82 17.881 12.457 -23.077 616 HG LEU 82 HG LEU 82 17.310 12.981 -20.154 617 HD11 LEU 82 1HD1 LEU 82 15.440 12.479 -22.469 618 HD12 LEU 82 2HD1 LEU 82 15.653 14.005 -21.610 619 HD13 LEU 82 3HD1 LEU 82 14.971 12.611 -20.773 620 HD21 LEU 82 3HD2 LEU 82 16.387 10.701 -20.155 621 HD22 LEU 82 1HD2 LEU 82 18.117 10.715 -20.499 622 HD23 LEU 82 2HD2 LEU 82 16.959 10.480 -21.809 623 H GLN 83 H GLN 83 20.366 14.947 -22.319 624 HA GLN 83 HA GLN 83 21.317 14.581 -24.964 625 HB2 GLN 83 2HB GLN 83 21.889 16.789 -22.973 626 HB3 GLN 83 3HB GLN 83 22.330 16.846 -24.676 627 HG2 GLN 83 2HG GLN 83 19.927 16.622 -25.260 628 HG3 GLN 83 3HG GLN 83 19.538 16.700 -23.544 629 HE21 GLN 83 1HE2 GLN 83 21.598 18.701 -22.985 630 HE22 GLN 83 2HE2 GLN 83 21.003 20.185 -23.632 631 H ASP 84 H ASP 84 22.920 14.427 -21.833 632 HA ASP 84 HA ASP 84 25.577 14.138 -22.786 633 HB2 ASP 84 2HB ASP 84 25.131 14.679 -20.456 634 HB3 ASP 84 3HB ASP 84 24.253 13.169 -20.237 635 H ALA 85 H ALA 85 23.111 11.762 -21.846 636 HA ALA 85 HA ALA 85 24.568 9.431 -22.206 637 HB1 ALA 85 3HB ALA 85 22.424 8.287 -22.318 638 HB2 ALA 85 1HB ALA 85 21.606 9.820 -22.631 639 HB3 ALA 85 2HB ALA 85 22.399 9.544 -21.080 640 H LYS 86 H LYS 86 22.404 11.010 -24.599 641 HA LYS 86 HA LYS 86 22.942 9.169 -26.679 642 HB2 LYS 86 2HB LYS 86 21.950 10.810 -28.195 643 HB3 LYS 86 3HB LYS 86 20.989 10.647 -26.732 644 HG2 LYS 86 2HG LYS 86 22.059 12.722 -25.863 645 HG3 LYS 86 3HG LYS 86 22.879 12.899 -27.415 646 HD2 LYS 86 2HD LYS 86 19.877 12.806 -27.041 647 HD3 LYS 86 3HD LYS 86 20.826 14.279 -27.239 648 HE2 LYS 86 2HE LYS 86 20.678 12.038 -29.262 649 HE3 LYS 86 3HE LYS 86 19.725 13.519 -29.334 650 HZ1 LYS 86 3HZ LYS 86 21.686 13.632 -30.746 651 HZ2 LYS 86 1HZ LYS 86 22.694 13.380 -29.413 652 HZ3 LYS 86 2HZ LYS 86 21.767 14.791 -29.519 653 H LEU 87 H LEU 87 24.586 12.098 -25.647 654 HA LEU 87 HA LEU 87 26.251 12.498 -27.876 655 HB2 LEU 87 2HB LEU 87 25.937 14.146 -26.086 656 HB3 LEU 87 3HB LEU 87 26.778 13.096 -24.962 657 HG LEU 87 HG LEU 87 28.845 13.336 -26.328 658 HD11 LEU 87 1HD1 LEU 87 27.811 13.838 -28.481 659 HD12 LEU 87 2HD1 LEU 87 28.968 15.087 -28.024 660 HD13 LEU 87 3HD1 LEU 87 27.236 15.383 -27.854 661 HD21 LEU 87 3HD2 LEU 87 27.631 15.932 -25.374 662 HD22 LEU 87 1HD2 LEU 87 29.350 15.624 -25.632 663 HD23 LEU 87 2HD2 LEU 87 28.477 14.751 -24.372 664 H LYS 88 H LYS 88 27.079 10.864 -24.778 665 HA LYS 88 HA LYS 88 29.552 9.878 -25.789 666 HB2 LYS 88 2HB LYS 88 29.604 8.491 -23.714 667 HB3 LYS 88 3HB LYS 88 29.353 10.205 -23.434 668 HG2 LYS 88 2HG LYS 88 27.845 9.300 -21.970 669 HG3 LYS 88 3HG LYS 88 26.823 9.546 -23.386 670 HD2 LYS 88 2HD LYS 88 27.107 7.184 -24.001 671 HD3 LYS 88 3HD LYS 88 28.150 6.942 -22.596 672 HE2 LYS 88 2HE LYS 88 25.228 7.713 -22.568 673 HE3 LYS 88 3HE LYS 88 25.908 6.152 -22.107 674 HZ1 LYS 88 3HZ LYS 88 26.957 7.127 -20.231 675 HZ2 LYS 88 1HZ LYS 88 25.354 7.659 -20.220 676 HZ3 LYS 88 2HZ LYS 88 26.584 8.695 -20.731 677 H ALA 89 H ALA 89 26.299 8.620 -25.879 678 HA ALA 89 HA ALA 89 26.840 5.938 -26.525 679 HB1 ALA 89 3HB ALA 89 24.562 7.678 -27.484 680 HB2 ALA 89 1HB ALA 89 24.593 6.730 -25.997 681 HB3 ALA 89 2HB ALA 89 24.614 5.917 -27.562 682 H GLU 90 H GLU 90 26.621 8.817 -28.625 683 HA GLU 90 HA GLU 90 27.216 7.368 -31.028 684 HB2 GLU 90 2HB GLU 90 27.479 10.340 -30.496 685 HB3 GLU 90 3HB GLU 90 27.473 9.565 -32.077 686 HG2 GLU 90 2HG GLU 90 25.163 8.702 -31.502 687 HG3 GLU 90 3HG GLU 90 25.196 9.802 -30.127 688 H GLY 91 H GLY 91 29.130 8.571 -28.450 689 HA2 GLY 91 2HA GLY 91 31.616 8.756 -29.894 690 HA3 GLY 91 3HA GLY 91 31.421 8.752 -28.149 691 H LEU 92 H LEU 92 29.774 6.126 -28.735 692 HA LEU 92 HA LEU 92 31.821 4.302 -28.051 693 HB2 LEU 92 2HB LEU 92 29.056 3.765 -29.156 694 HB3 LEU 92 3HB LEU 92 30.105 2.548 -28.451 695 HG LEU 92 HG LEU 92 28.930 4.925 -26.990 696 HD11 LEU 92 1HD1 LEU 92 27.271 3.210 -27.544 697 HD12 LEU 92 2HD1 LEU 92 27.577 3.288 -25.810 698 HD13 LEU 92 3HD1 LEU 92 28.279 1.985 -26.771 699 HD21 LEU 92 3HD2 LEU 92 30.622 2.644 -25.956 700 HD22 LEU 92 1HD2 LEU 92 29.851 3.887 -24.969 701 HD23 LEU 92 2HD2 LEU 92 31.125 4.328 -26.105 702 H GLU 93 H GLU 93 30.275 5.060 -31.146 703 HA GLU 93 HA GLU 93 32.519 4.260 -32.674 704 HB2 GLU 93 2HB GLU 93 31.564 2.324 -33.850 705 HB3 GLU 93 3HB GLU 93 31.764 1.994 -32.135 706 HG2 GLU 93 2HG GLU 93 29.400 2.322 -31.751 707 HG3 GLU 93 3HG GLU 93 29.162 2.791 -33.434 708 H HIS 94 H HIS 94 32.121 4.448 -35.038 709 HA HIS 94 HA HIS 94 30.329 6.581 -35.659 710 HB2 HIS 94 2HB HIS 94 32.458 6.300 -36.853 711 HB3 HIS 94 3HB HIS 94 31.897 4.769 -37.515 712 HD1 HIS 94 HD1 HIS 94 30.493 4.859 -39.613 713 HD2 HIS 94 HD2 HIS 94 31.118 8.608 -37.929 714 HE1 HIS 94 HE1 HIS 94 29.611 6.508 -41.288 715 HE2 HIS 94 HE2 HIS 94 29.847 8.747 -40.176 716 H HIS 95 H HIS 95 28.283 6.522 -36.347 717 HA HIS 95 HA HIS 95 26.644 4.327 -36.058 718 HB2 HIS 95 2HB HIS 95 26.309 6.889 -37.597 719 HB3 HIS 95 3HB HIS 95 25.038 5.675 -37.587 720 HD1 HIS 95 HD1 HIS 95 23.591 5.495 -35.515 721 HD2 HIS 95 HD2 HIS 95 26.754 8.167 -35.077 722 HE1 HIS 95 HE1 HIS 95 23.119 6.762 -33.408 723 HE2 HIS 95 HE2 HIS 95 24.897 8.534 -33.317 724 H HIS 96 H HIS 96 26.628 2.428 -37.160 725 HA HIS 96 HA HIS 96 27.085 2.255 -39.998 726 HB2 HIS 96 2HB HIS 96 25.871 0.308 -38.020 727 HB3 HIS 96 3HB HIS 96 26.087 -0.063 -39.728 728 HD1 HIS 96 HD1 HIS 96 27.735 -0.454 -36.575 729 HD2 HIS 96 HD2 HIS 96 28.988 0.235 -40.480 730 HE1 HIS 96 HE1 HIS 96 30.153 -1.116 -36.636 731 HE2 HIS 96 HE2 HIS 96 30.822 -0.882 -39.044 732 H HIS 97 H HIS 97 24.288 2.568 -37.893 733 HA HIS 97 HA HIS 97 22.623 3.215 -40.253 734 HB2 HIS 97 2HB HIS 97 21.745 2.281 -37.501 735 HB3 HIS 97 3HB HIS 97 20.656 2.762 -38.798 736 HD1 HIS 97 HD1 HIS 97 20.331 1.111 -40.748 737 HD2 HIS 97 HD2 HIS 97 22.874 -0.273 -37.767 738 HE1 HIS 97 HE1 HIS 97 20.626 -1.335 -41.200 739 HE2 HIS 97 HE2 HIS 97 21.977 -2.186 -39.261 740 H HIS 98 H HIS 98 21.432 5.191 -40.183 741 HA HIS 98 HA HIS 98 21.562 6.825 -37.795 742 HB2 HIS 98 2HB HIS 98 23.746 7.243 -38.992 743 HB3 HIS 98 3HB HIS 98 22.813 7.921 -40.324 744 HD1 HIS 98 HD1 HIS 98 21.730 10.246 -39.946 745 HD2 HIS 98 HD2 HIS 98 23.897 8.845 -36.694 746 HE1 HIS 98 HE1 HIS 98 21.952 12.203 -38.395 747 HE2 HIS 98 HE2 HIS 98 23.480 11.389 -36.571 748 H HIS 99 H HIS 99 19.922 8.263 -37.637 749 HA HIS 99 HA HIS 99 18.272 8.767 -40.040 750 HB2 HIS 99 2HB HIS 99 17.138 7.218 -38.500 751 HB3 HIS 99 3HB HIS 99 17.302 8.384 -37.193 752 HD1 HIS 99 HD1 HIS 99 15.604 10.282 -37.093 753 HD2 HIS 99 HD2 HIS 99 15.211 7.910 -40.482 754 HE1 HIS 99 HE1 HIS 99 13.447 10.981 -38.156 755 HE2 HIS 99 HE2 HIS 99 13.152 9.428 -40.103 Start of MODEL 15 1 H1 GLU 1 1H GLU 1 1.275 1.929 -0.902 2 H2 GLU 1 2H GLU 1 1.791 0.320 -0.849 3 H3 GLU 1 3H GLU 1 0.358 0.721 -1.651 4 HA GLU 1 HA GLU 1 1.586 2.011 -3.274 5 HB2 GLU 1 2HB GLU 1 4.036 0.912 -1.856 6 HB3 GLU 1 3HB GLU 1 4.045 1.831 -3.354 7 HG2 GLU 1 2HG GLU 1 4.672 3.338 -1.661 8 HG3 GLU 1 3HG GLU 1 3.003 3.733 -2.063 9 H ASP 2 H ASP 2 1.528 0.936 -5.177 10 HA ASP 2 HA ASP 2 1.937 -1.999 -5.117 11 HB2 ASP 2 2HB ASP 2 -0.103 -0.519 -6.805 12 HB3 ASP 2 3HB ASP 2 0.058 -2.264 -6.617 13 HA PRO 3 HA PRO 3 4.631 -1.825 -8.714 14 HB2 PRO 3 2HB PRO 3 2.579 -3.518 -10.097 15 HB3 PRO 3 3HB PRO 3 4.330 -3.738 -9.994 16 HG2 PRO 3 2HG PRO 3 2.709 -5.211 -8.495 17 HG3 PRO 3 3HG PRO 3 4.225 -4.578 -7.822 18 HD2 PRO 3 2HD PRO 3 1.415 -3.659 -7.371 19 HD3 PRO 3 3HD PRO 3 2.784 -3.699 -6.241 20 H GLU 4 H GLU 4 1.208 -1.212 -9.069 21 HA GLU 4 HA GLU 4 1.058 -0.070 -11.594 22 HB2 GLU 4 2HB GLU 4 -0.448 0.691 -9.080 23 HB3 GLU 4 3HB GLU 4 -0.918 1.145 -10.713 24 HG2 GLU 4 2HG GLU 4 -0.643 -1.715 -9.807 25 HG3 GLU 4 3HG GLU 4 -2.150 -0.808 -9.714 26 H ASP 5 H ASP 5 2.165 1.369 -8.566 27 HA ASP 5 HA ASP 5 2.281 4.055 -9.447 28 HB2 ASP 5 2HB ASP 5 3.851 2.637 -7.277 29 HB3 ASP 5 3HB ASP 5 3.799 4.384 -7.501 30 HA PRO 6 HA PRO 6 5.557 4.083 -12.442 31 HB2 PRO 6 2HB PRO 6 6.247 6.675 -11.121 32 HB3 PRO 6 3HB PRO 6 6.015 6.312 -12.835 33 HG2 PRO 6 2HG PRO 6 4.134 7.566 -11.410 34 HG3 PRO 6 3HG PRO 6 3.706 6.401 -12.676 35 HD2 PRO 6 2HD PRO 6 3.584 6.130 -9.717 36 HD3 PRO 6 3HD PRO 6 2.585 5.360 -10.966 37 H PHE 7 H PHE 7 6.616 5.503 -9.319 38 HA PHE 7 HA PHE 7 9.323 4.773 -9.623 39 HB2 PHE 7 2HB PHE 7 8.618 6.551 -8.094 40 HB3 PHE 7 3HB PHE 7 7.775 5.379 -7.087 41 HD1 PHE 7 HD1 PHE 7 11.161 6.265 -8.368 42 HD2 PHE 7 HD2 PHE 7 8.892 4.335 -5.316 43 HE1 PHE 7 HE1 PHE 7 13.213 5.928 -7.054 44 HE2 PHE 7 HE2 PHE 7 10.944 3.999 -4.001 45 HZ PHE 7 HZ PHE 7 13.106 4.796 -4.871 46 H THR 8 H THR 8 6.574 3.018 -8.306 47 HA THR 8 HA THR 8 8.085 1.031 -6.921 48 HB THR 8 HB THR 8 5.292 0.700 -8.047 49 HG1 THR 8 HG1 THR 8 4.548 1.638 -6.228 50 HG21 THR 8 3HG2 THR 8 6.748 -0.708 -5.799 51 HG22 THR 8 1HG2 THR 8 6.298 -1.407 -7.355 52 HG23 THR 8 2HG2 THR 8 5.046 -0.934 -6.206 53 H ARG 9 H ARG 9 6.349 0.848 -10.059 54 HA ARG 9 HA ARG 9 7.406 -1.652 -10.819 55 HB2 ARG 9 2HB ARG 9 6.675 -1.048 -13.103 56 HB3 ARG 9 3HB ARG 9 5.440 -0.740 -11.892 57 HG2 ARG 9 2HG ARG 9 6.605 1.687 -11.973 58 HG3 ARG 9 3HG ARG 9 6.919 1.148 -13.622 59 HD2 ARG 9 2HD ARG 9 4.236 1.376 -12.254 60 HD3 ARG 9 3HD ARG 9 4.847 2.374 -13.572 61 HE ARG 9 HE ARG 9 4.900 -0.095 -14.640 62 HH11 ARG 9 1HH1 ARG 9 2.435 1.712 -13.034 63 HH12 ARG 9 2HH1 ARG 9 1.158 0.870 -13.834 64 HH21 ARG 9 1HH2 ARG 9 3.245 -1.172 -15.621 65 HH22 ARG 9 2HH2 ARG 9 1.607 -0.753 -15.273 66 H TYR 10 H TYR 10 8.654 1.613 -11.194 67 HA TYR 10 HA TYR 10 10.899 1.093 -12.801 68 HB2 TYR 10 2HB TYR 10 10.181 3.361 -12.258 69 HB3 TYR 10 3HB TYR 10 10.507 3.092 -10.553 70 HD1 TYR 10 HD1 TYR 10 12.021 3.706 -13.850 71 HD2 TYR 10 HD2 TYR 10 12.765 3.198 -9.685 72 HE1 TYR 10 HE1 TYR 10 14.290 4.610 -14.146 73 HE2 TYR 10 HE2 TYR 10 15.031 4.097 -9.974 74 HH TYR 10 HH TYR 10 16.020 5.792 -12.618 75 H ALA 11 H ALA 11 10.514 0.970 -9.261 76 HA ALA 11 HA ALA 11 13.134 0.130 -8.631 77 HB1 ALA 11 3HB ALA 11 11.595 1.069 -6.971 78 HB2 ALA 11 1HB ALA 11 12.210 -0.504 -6.457 79 HB3 ALA 11 2HB ALA 11 10.574 -0.362 -7.102 80 H LEU 12 H LEU 12 10.134 -1.764 -9.093 81 HA LEU 12 HA LEU 12 11.203 -4.312 -8.717 82 HB2 LEU 12 2HB LEU 12 8.841 -3.255 -10.209 83 HB3 LEU 12 3HB LEU 12 9.310 -4.921 -10.482 84 HG LEU 12 HG LEU 12 7.541 -4.765 -8.801 85 HD11 LEU 12 1HD1 LEU 12 8.578 -6.110 -7.057 86 HD12 LEU 12 2HD1 LEU 12 10.181 -5.608 -7.598 87 HD13 LEU 12 3HD1 LEU 12 9.162 -6.592 -8.649 88 HD21 LEU 12 3HD2 LEU 12 7.955 -3.747 -6.614 89 HD22 LEU 12 1HD2 LEU 12 8.039 -2.548 -7.905 90 HD23 LEU 12 2HD2 LEU 12 9.523 -3.166 -7.177 91 H ALA 13 H ALA 13 11.252 -2.261 -11.599 92 HA ALA 13 HA ALA 13 12.360 -4.104 -13.406 93 HB1 ALA 13 3HB ALA 13 11.531 -1.913 -14.098 94 HB2 ALA 13 1HB ALA 13 13.196 -2.149 -14.627 95 HB3 ALA 13 2HB ALA 13 12.850 -1.126 -13.232 96 H GLN 14 H GLN 14 13.983 -1.838 -11.177 97 HA GLN 14 HA GLN 14 16.630 -2.660 -11.724 98 HB2 GLN 14 2HB GLN 14 15.491 -1.457 -9.185 99 HB3 GLN 14 3HB GLN 14 17.204 -1.552 -9.588 100 HG2 GLN 14 2HG GLN 14 16.791 -0.133 -11.564 101 HG3 GLN 14 3HG GLN 14 15.099 0.000 -11.090 102 HE21 GLN 14 1HE2 GLN 14 17.131 2.068 -11.410 103 HE22 GLN 14 2HE2 GLN 14 17.203 2.893 -9.895 104 H GLU 15 H GLU 15 14.203 -3.884 -9.462 105 HA GLU 15 HA GLU 15 15.726 -5.795 -8.108 106 HB2 GLU 15 2HB GLU 15 12.848 -5.984 -9.046 107 HB3 GLU 15 3HB GLU 15 13.595 -7.069 -7.882 108 HG2 GLU 15 2HG GLU 15 13.336 -4.096 -7.483 109 HG3 GLU 15 3HG GLU 15 12.176 -5.281 -6.886 110 H HIS 16 H HIS 16 13.891 -6.162 -11.145 111 HA HIS 16 HA HIS 16 14.642 -8.788 -11.733 112 HB2 HIS 16 2HB HIS 16 13.866 -6.513 -13.562 113 HB3 HIS 16 3HB HIS 16 14.135 -8.155 -14.138 114 HD1 HIS 16 HD1 HIS 16 12.566 -9.998 -12.725 115 HD2 HIS 16 HD2 HIS 16 11.263 -6.061 -12.943 116 HE1 HIS 16 HE1 HIS 16 10.107 -10.081 -12.253 117 HE2 HIS 16 HE2 HIS 16 9.312 -7.710 -12.517 118 H LEU 17 H LEU 17 16.277 -5.742 -12.622 119 HA LEU 17 HA LEU 17 18.364 -6.824 -14.146 120 HB2 LEU 17 2HB LEU 17 18.352 -4.423 -12.304 121 HB3 LEU 17 3HB LEU 17 19.664 -4.796 -13.406 122 HG LEU 17 HG LEU 17 16.822 -4.192 -14.251 123 HD11 LEU 17 1HD1 LEU 17 17.677 -2.056 -15.028 124 HD12 LEU 17 2HD1 LEU 17 19.286 -2.453 -14.422 125 HD13 LEU 17 3HD1 LEU 17 17.949 -2.228 -13.294 126 HD21 LEU 17 3HD2 LEU 17 18.006 -5.676 -15.803 127 HD22 LEU 17 1HD2 LEU 17 19.340 -4.523 -15.887 128 HD23 LEU 17 2HD2 LEU 17 17.749 -4.079 -16.507 129 H LYS 18 H LYS 18 18.207 -6.242 -10.636 130 HA LYS 18 HA LYS 18 20.780 -7.342 -10.080 131 HB2 LYS 18 2HB LYS 18 18.420 -6.862 -8.238 132 HB3 LYS 18 3HB LYS 18 20.046 -7.274 -7.704 133 HG2 LYS 18 2HG LYS 18 20.880 -5.204 -8.781 134 HG3 LYS 18 3HG LYS 18 19.218 -4.776 -9.181 135 HD2 LYS 18 2HD LYS 18 20.206 -5.241 -6.362 136 HD3 LYS 18 3HD LYS 18 20.149 -3.658 -7.133 137 HE2 LYS 18 2HE LYS 18 18.181 -3.762 -5.868 138 HE3 LYS 18 3HE LYS 18 17.662 -4.117 -7.512 139 HZ1 LYS 18 3HZ LYS 18 17.666 -6.479 -6.941 140 HZ2 LYS 18 1HZ LYS 18 16.631 -5.606 -5.929 141 HZ3 LYS 18 2HZ LYS 18 18.142 -6.114 -5.365 142 H HIS 19 H HIS 19 17.861 -8.819 -10.910 143 HA HIS 19 HA HIS 19 18.803 -11.410 -9.841 144 HB2 HIS 19 2HB HIS 19 15.997 -10.421 -10.372 145 HB3 HIS 19 3HB HIS 19 16.367 -12.127 -10.143 146 HD1 HIS 19 HD1 HIS 19 16.689 -12.942 -7.775 147 HD2 HIS 19 HD2 HIS 19 16.409 -8.803 -8.017 148 HE1 HIS 19 HE1 HIS 19 16.486 -12.141 -5.405 149 HE2 HIS 19 HE2 HIS 19 16.301 -9.638 -5.574 150 H ASP 20 H ASP 20 19.716 -10.178 -12.301 151 HA ASP 20 HA ASP 20 20.526 -11.057 -14.239 152 HB2 ASP 20 2HB ASP 20 20.493 -13.257 -13.239 153 HB3 ASP 20 3HB ASP 20 18.773 -13.425 -13.563 154 H ASN 21 H ASN 21 17.112 -10.698 -13.788 155 HA ASN 21 HA ASN 21 16.393 -11.238 -16.520 156 HB2 ASN 21 2HB ASN 21 14.830 -10.084 -14.209 157 HB3 ASN 21 3HB ASN 21 14.143 -10.385 -15.799 158 HD21 ASN 21 1HD2 ASN 21 15.534 -12.810 -16.324 159 HD22 ASN 21 2HD2 ASN 21 14.884 -14.014 -15.272 160 H ALA 22 H ALA 22 18.020 -9.677 -17.380 161 HA ALA 22 HA ALA 22 17.690 -6.881 -17.158 162 HB1 ALA 22 3HB ALA 22 19.153 -6.737 -19.107 163 HB2 ALA 22 1HB ALA 22 18.930 -8.461 -19.413 164 HB3 ALA 22 2HB ALA 22 19.758 -7.924 -17.950 165 H SER 23 H SER 23 16.643 -9.109 -19.767 166 HA SER 23 HA SER 23 15.303 -7.209 -21.329 167 HB2 SER 23 2HB SER 23 14.779 -10.183 -21.056 168 HB3 SER 23 3HB SER 23 14.060 -9.160 -22.300 169 HG SER 23 HG SER 23 15.822 -9.376 -23.392 170 H ARG 24 H ARG 24 14.100 -9.169 -18.628 171 HA ARG 24 HA ARG 24 11.388 -8.444 -18.793 172 HB2 ARG 24 2HB ARG 24 13.040 -9.170 -16.365 173 HB3 ARG 24 3HB ARG 24 11.292 -9.050 -16.369 174 HG2 ARG 24 2HG ARG 24 12.959 -11.019 -17.923 175 HG3 ARG 24 3HG ARG 24 11.935 -11.359 -16.528 176 HD2 ARG 24 2HD ARG 24 9.982 -10.533 -17.887 177 HD3 ARG 24 3HD ARG 24 11.061 -10.479 -19.281 178 HE ARG 24 HE ARG 24 10.937 -13.025 -17.908 179 HH11 ARG 24 1HH1 ARG 24 9.763 -11.082 -20.501 180 HH12 ARG 24 2HH1 ARG 24 9.014 -12.408 -21.315 181 HH21 ARG 24 1HH2 ARG 24 9.991 -14.726 -18.955 182 HH22 ARG 24 2HH2 ARG 24 9.163 -14.468 -20.452 183 H ALA 25 H ALA 25 14.070 -6.926 -17.001 184 HA ALA 25 HA ALA 25 12.569 -4.795 -15.893 185 HB1 ALA 25 3HB ALA 25 15.510 -4.917 -16.575 186 HB2 ALA 25 1HB ALA 25 14.773 -5.420 -15.053 187 HB3 ALA 25 2HB ALA 25 14.745 -3.720 -15.528 188 H LEU 26 H LEU 26 14.468 -5.074 -18.870 189 HA LEU 26 HA LEU 26 14.262 -2.516 -19.895 190 HB2 LEU 26 2HB LEU 26 15.608 -4.373 -20.843 191 HB3 LEU 26 3HB LEU 26 14.136 -5.124 -21.428 192 HG LEU 26 HG LEU 26 13.759 -3.206 -22.938 193 HD11 LEU 26 1HD1 LEU 26 14.869 -1.480 -21.594 194 HD12 LEU 26 2HD1 LEU 26 15.480 -1.516 -23.247 195 HD13 LEU 26 3HD1 LEU 26 16.433 -2.221 -21.941 196 HD21 LEU 26 3HD2 LEU 26 14.991 -5.158 -23.747 197 HD22 LEU 26 1HD2 LEU 26 16.508 -4.442 -23.194 198 HD23 LEU 26 2HD2 LEU 26 15.590 -3.677 -24.493 199 H ALA 27 H ALA 27 11.964 -5.209 -20.252 200 HA ALA 27 HA ALA 27 10.044 -3.918 -21.828 201 HB1 ALA 27 3HB ALA 27 8.498 -5.640 -21.068 202 HB2 ALA 27 1HB ALA 27 9.589 -6.058 -19.744 203 HB3 ALA 27 2HB ALA 27 10.080 -6.340 -21.415 204 H LEU 28 H LEU 28 10.448 -3.967 -18.291 205 HA LEU 28 HA LEU 28 8.059 -2.571 -17.676 206 HB2 LEU 28 2HB LEU 28 10.644 -2.803 -16.130 207 HB3 LEU 28 3HB LEU 28 9.185 -2.066 -15.492 208 HG LEU 28 HG LEU 28 9.507 -4.961 -16.306 209 HD11 LEU 28 1HD1 LEU 28 9.177 -5.404 -13.908 210 HD12 LEU 28 2HD1 LEU 28 9.190 -3.666 -13.597 211 HD13 LEU 28 3HD1 LEU 28 10.635 -4.463 -14.224 212 HD21 LEU 28 3HD2 LEU 28 7.250 -5.282 -15.445 213 HD22 LEU 28 1HD2 LEU 28 7.250 -4.138 -16.786 214 HD23 LEU 28 2HD2 LEU 28 7.108 -3.552 -15.127 215 H PHE 29 H PHE 29 11.389 -1.412 -18.232 216 HA PHE 29 HA PHE 29 10.854 1.323 -17.823 217 HB2 PHE 29 2HB PHE 29 12.907 -0.037 -19.582 218 HB3 PHE 29 3HB PHE 29 12.854 1.704 -19.329 219 HD1 PHE 29 HD2 PHE 29 12.820 2.439 -16.785 220 HD2 PHE 29 HD1 PHE 29 14.288 -1.294 -18.218 221 HE1 PHE 29 HE2 PHE 29 14.182 2.196 -14.751 222 HE2 PHE 29 HE1 PHE 29 15.652 -1.540 -16.185 223 HZ PHE 29 HZ PHE 29 15.602 0.207 -14.450 224 H GLU 30 H GLU 30 10.687 -0.640 -20.804 225 HA GLU 30 HA GLU 30 9.731 1.387 -22.508 226 HB2 GLU 30 2HB GLU 30 9.265 -1.605 -22.565 227 HB3 GLU 30 3HB GLU 30 8.777 -0.519 -23.860 228 HG2 GLU 30 2HG GLU 30 11.120 0.138 -24.184 229 HG3 GLU 30 3HG GLU 30 11.601 -0.968 -22.900 230 H GLU 31 H GLU 31 8.044 -0.755 -20.269 231 HA GLU 31 HA GLU 31 5.392 -0.099 -20.915 232 HB2 GLU 31 2HB GLU 31 5.921 -1.972 -19.467 233 HB3 GLU 31 3HB GLU 31 6.632 -0.899 -18.271 234 HG2 GLU 31 2HG GLU 31 4.424 0.114 -17.885 235 HG3 GLU 31 3HG GLU 31 3.724 -1.000 -19.059 236 H LEU 32 H LEU 32 7.665 1.444 -18.657 237 HA LEU 32 HA LEU 32 5.945 3.453 -17.700 238 HB2 LEU 32 2HB LEU 32 8.941 3.364 -18.024 239 HB3 LEU 32 3HB LEU 32 8.114 4.711 -17.264 240 HG LEU 32 HG LEU 32 7.912 1.863 -16.268 241 HD11 LEU 32 1HD1 LEU 32 9.721 4.079 -15.290 242 HD12 LEU 32 2HD1 LEU 32 10.233 2.604 -16.113 243 HD13 LEU 32 3HD1 LEU 32 9.494 2.510 -14.513 244 HD21 LEU 32 3HD2 LEU 32 7.178 4.519 -15.023 245 HD22 LEU 32 1HD2 LEU 32 7.083 2.951 -14.221 246 HD23 LEU 32 2HD2 LEU 32 6.055 3.292 -15.612 247 H VAL 33 H VAL 33 8.016 3.360 -20.573 248 HA VAL 33 HA VAL 33 7.728 6.059 -21.346 249 HB VAL 33 HB VAL 33 8.275 3.619 -23.054 250 HG11 VAL 33 1HG1 VAL 33 9.235 5.208 -24.685 251 HG12 VAL 33 2HG1 VAL 33 8.637 6.549 -23.707 252 HG13 VAL 33 3HG1 VAL 33 7.500 5.435 -24.467 253 HG21 VAL 33 3HG2 VAL 33 10.624 4.336 -22.890 254 HG22 VAL 33 1HG2 VAL 33 9.940 3.942 -21.313 255 HG23 VAL 33 2HG2 VAL 33 10.143 5.628 -21.790 256 H GLU 34 H GLU 34 5.757 3.211 -22.099 257 HA GLU 34 HA GLU 34 4.091 4.656 -23.967 258 HB2 GLU 34 2HB GLU 34 2.785 2.555 -24.085 259 HB3 GLU 34 3HB GLU 34 4.503 2.302 -24.358 260 HG2 GLU 34 2HG GLU 34 4.751 1.531 -22.043 261 HG3 GLU 34 3HG GLU 34 3.022 1.757 -21.791 262 H THR 35 H THR 35 3.964 3.939 -20.544 263 HA THR 35 HA THR 35 1.115 4.636 -20.395 264 HB THR 35 HB THR 35 1.246 3.981 -18.016 265 HG1 THR 35 HG1 THR 35 3.797 2.882 -18.374 266 HG21 THR 35 3HG2 THR 35 0.678 2.288 -19.697 267 HG22 THR 35 1HG2 THR 35 1.600 1.577 -18.371 268 HG23 THR 35 2HG2 THR 35 2.390 1.916 -19.912 269 H ASP 36 H ASP 36 4.223 5.804 -19.047 270 HA ASP 36 HA ASP 36 2.945 8.409 -18.593 271 HB2 ASP 36 2HB ASP 36 2.951 6.988 -16.470 272 HB3 ASP 36 3HB ASP 36 4.704 7.150 -16.480 273 HA PRO 37 HA PRO 37 7.035 9.057 -20.759 274 HB2 PRO 37 2HB PRO 37 5.415 11.368 -21.718 275 HB3 PRO 37 3HB PRO 37 6.455 10.268 -22.629 276 HG2 PRO 37 2HG PRO 37 3.802 10.080 -22.797 277 HG3 PRO 37 3HG PRO 37 4.816 8.624 -22.768 278 HD2 PRO 37 2HD PRO 37 3.188 9.845 -20.565 279 HD3 PRO 37 3HD PRO 37 3.405 8.134 -20.990 280 H ASP 38 H ASP 38 4.960 10.945 -18.692 281 HA ASP 38 HA ASP 38 6.579 13.222 -18.315 282 HB2 ASP 38 2HB ASP 38 4.630 11.941 -16.385 283 HB3 ASP 38 3HB ASP 38 5.261 13.581 -16.272 284 H TYR 39 H TYR 39 6.726 10.010 -16.938 285 HA TYR 39 HA TYR 39 8.551 10.677 -14.826 286 HB2 TYR 39 2HB TYR 39 6.987 8.676 -14.882 287 HB3 TYR 39 3HB TYR 39 8.080 7.943 -16.049 288 HD1 TYR 39 HD1 TYR 39 9.041 9.933 -13.052 289 HD2 TYR 39 HD2 TYR 39 8.824 6.050 -14.807 290 HE1 TYR 39 HE1 TYR 39 10.342 9.016 -11.181 291 HE2 TYR 39 HE2 TYR 39 10.136 5.136 -12.940 292 HH TYR 39 HH TYR 39 11.683 5.866 -11.241 293 H VAL 40 H VAL 40 10.127 11.903 -15.954 294 HA VAL 40 HA VAL 40 11.417 11.208 -18.323 295 HB VAL 40 HB VAL 40 12.533 12.910 -16.083 296 HG11 VAL 40 1HG1 VAL 40 13.852 14.006 -17.830 297 HG12 VAL 40 2HG1 VAL 40 13.211 12.885 -19.032 298 HG13 VAL 40 3HG1 VAL 40 14.239 12.288 -17.727 299 HG21 VAL 40 3HG2 VAL 40 10.311 13.665 -16.782 300 HG22 VAL 40 1HG2 VAL 40 10.840 13.704 -18.463 301 HG23 VAL 40 2HG2 VAL 40 11.551 14.812 -17.288 302 H GLY 41 H GLY 41 12.352 10.425 -14.993 303 HA2 GLY 41 2HA GLY 41 14.936 9.512 -15.333 304 HA3 GLY 41 3HA GLY 41 13.805 8.835 -14.173 305 H THR 42 H THR 42 11.989 7.966 -16.356 306 HA THR 42 HA THR 42 12.867 5.345 -16.768 307 HB THR 42 HB THR 42 10.875 6.933 -18.405 308 HG1 THR 42 HG1 THR 42 9.534 6.543 -16.818 309 HG21 THR 42 3HG2 THR 42 11.634 4.936 -19.608 310 HG22 THR 42 1HG2 THR 42 9.965 4.749 -19.062 311 HG23 THR 42 2HG2 THR 42 11.272 3.941 -18.195 312 H TYR 43 H TYR 43 12.781 8.039 -19.132 313 HA TYR 43 HA TYR 43 13.788 6.614 -21.312 314 HB2 TYR 43 2HB TYR 43 13.974 9.567 -20.683 315 HB3 TYR 43 3HB TYR 43 14.432 8.867 -22.230 316 HD1 TYR 43 HD2 TYR 43 12.749 8.008 -23.761 317 HD2 TYR 43 HD1 TYR 43 11.624 9.724 -20.030 318 HE1 TYR 43 HE2 TYR 43 10.429 8.182 -24.546 319 HE2 TYR 43 HE1 TYR 43 9.300 9.900 -20.810 320 HH TYR 43 HH TYR 43 8.162 8.347 -23.613 321 H TYR 44 H TYR 44 15.555 8.446 -18.840 322 HA TYR 44 HA TYR 44 18.100 8.272 -20.026 323 HB2 TYR 44 2HB TYR 44 17.511 9.802 -18.147 324 HB3 TYR 44 3HB TYR 44 17.467 8.416 -17.063 325 HD1 TYR 44 HD2 TYR 44 19.634 10.646 -19.020 326 HD2 TYR 44 HD1 TYR 44 19.536 7.340 -16.335 327 HE1 TYR 44 HE2 TYR 44 22.050 10.896 -18.625 328 HE2 TYR 44 HE1 TYR 44 21.946 7.583 -15.939 329 HH TYR 44 HH TYR 44 23.700 10.317 -16.855 330 H HIS 45 H HIS 45 16.688 6.244 -17.428 331 HA HIS 45 HA HIS 45 18.898 4.441 -17.384 332 HB2 HIS 45 2HB HIS 45 16.128 4.327 -16.198 333 HB3 HIS 45 3HB HIS 45 17.259 2.985 -16.037 334 HD1 HIS 45 HD1 HIS 45 18.593 3.076 -13.961 335 HD2 HIS 45 HD2 HIS 45 17.463 6.873 -15.214 336 HE1 HIS 45 HE1 HIS 45 19.514 4.651 -12.241 337 HE2 HIS 45 HE2 HIS 45 18.879 6.945 -13.047 338 H LEU 46 H LEU 46 15.882 4.484 -19.181 339 HA LEU 46 HA LEU 46 15.949 1.827 -20.154 340 HB2 LEU 46 2HB LEU 46 13.945 3.194 -20.331 341 HB3 LEU 46 3HB LEU 46 14.781 4.347 -21.354 342 HG LEU 46 HG LEU 46 14.989 2.607 -23.111 343 HD11 LEU 46 1HD1 LEU 46 14.930 0.630 -21.677 344 HD12 LEU 46 2HD1 LEU 46 13.708 0.547 -22.945 345 HD13 LEU 46 3HD1 LEU 46 13.239 0.953 -21.294 346 HD21 LEU 46 3HD2 LEU 46 12.166 3.112 -22.167 347 HD22 LEU 46 1HD2 LEU 46 12.646 2.625 -23.796 348 HD23 LEU 46 2HD2 LEU 46 13.139 4.195 -23.164 349 H GLY 47 H GLY 47 17.144 4.887 -21.535 350 HA2 GLY 47 2HA GLY 47 18.294 3.861 -23.874 351 HA3 GLY 47 3HA GLY 47 18.798 5.332 -23.058 352 H LYS 48 H LYS 48 19.904 4.532 -20.743 353 HA LYS 48 HA LYS 48 22.428 3.554 -21.434 354 HB2 LYS 48 2HB LYS 48 21.176 3.381 -18.681 355 HB3 LYS 48 3HB LYS 48 22.893 3.378 -19.053 356 HG2 LYS 48 2HG LYS 48 20.975 5.678 -19.409 357 HG3 LYS 48 3HG LYS 48 22.233 5.533 -18.186 358 HD2 LYS 48 2HD LYS 48 22.721 5.666 -21.167 359 HD3 LYS 48 3HD LYS 48 22.842 7.035 -20.065 360 HE2 LYS 48 2HE LYS 48 24.969 6.496 -19.672 361 HE3 LYS 48 3HE LYS 48 24.439 4.969 -18.972 362 HZ1 LYS 48 3HZ LYS 48 24.714 3.873 -21.003 363 HZ2 LYS 48 1HZ LYS 48 26.082 4.854 -20.871 364 HZ3 LYS 48 2HZ LYS 48 24.809 5.307 -21.892 365 H LEU 49 H LEU 49 19.545 1.817 -20.390 366 HA LEU 49 HA LEU 49 20.856 -0.706 -20.040 367 HB2 LEU 49 2HB LEU 49 18.694 -0.119 -18.963 368 HB3 LEU 49 3HB LEU 49 17.925 -0.158 -20.539 369 HG LEU 49 HG LEU 49 18.386 -2.549 -20.745 370 HD11 LEU 49 1HD1 LEU 49 19.357 -3.820 -18.896 371 HD12 LEU 49 2HD1 LEU 49 19.649 -2.324 -18.006 372 HD13 LEU 49 3HD1 LEU 49 20.502 -2.634 -19.519 373 HD21 LEU 49 3HD2 LEU 49 16.912 -3.368 -18.980 374 HD22 LEU 49 1HD2 LEU 49 16.315 -1.850 -19.650 375 HD23 LEU 49 2HD2 LEU 49 17.129 -1.862 -18.085 376 H TYR 50 H TYR 50 19.186 0.864 -22.759 377 HA TYR 50 HA TYR 50 19.401 -1.300 -24.568 378 HB2 TYR 50 2HB TYR 50 19.189 1.677 -24.960 379 HB3 TYR 50 3HB TYR 50 19.472 0.618 -26.335 380 HD1 TYR 50 HD1 TYR 50 17.814 -1.672 -25.909 381 HD2 TYR 50 HD2 TYR 50 16.972 2.405 -25.001 382 HE1 TYR 50 HE1 TYR 50 15.410 -2.134 -26.090 383 HE2 TYR 50 HE2 TYR 50 14.561 1.944 -25.179 384 HH TYR 50 HH TYR 50 13.285 -1.178 -25.224 385 H GLU 51 H GLU 51 21.595 1.474 -24.023 386 HA GLU 51 HA GLU 51 23.709 0.731 -25.657 387 HB2 GLU 51 2HB GLU 51 23.811 1.991 -22.902 388 HB3 GLU 51 3HB GLU 51 25.173 1.922 -24.013 389 HG2 GLU 51 2HG GLU 51 24.006 3.326 -25.598 390 HG3 GLU 51 3HG GLU 51 22.560 3.317 -24.584 391 H ARG 52 H ARG 52 22.914 -0.397 -22.400 392 HA ARG 52 HA ARG 52 25.120 -2.012 -21.857 393 HB2 ARG 52 2HB ARG 52 23.292 -1.458 -20.256 394 HB3 ARG 52 3HB ARG 52 22.231 -2.553 -21.126 395 HG2 ARG 52 2HG ARG 52 22.926 -3.799 -19.295 396 HG3 ARG 52 3HG ARG 52 23.980 -4.362 -20.592 397 HD2 ARG 52 2HD ARG 52 24.706 -2.283 -18.523 398 HD3 ARG 52 3HD ARG 52 25.182 -3.977 -18.468 399 HE ARG 52 HE ARG 52 26.302 -3.408 -20.718 400 HH11 ARG 52 1HH1 ARG 52 26.000 -1.222 -18.069 401 HH12 ARG 52 2HH1 ARG 52 27.447 -0.368 -18.468 402 HH21 ARG 52 1HH2 ARG 52 28.145 -2.302 -21.222 403 HH22 ARG 52 2HH2 ARG 52 28.640 -0.959 -20.251 404 H LEU 53 H LEU 53 22.196 -2.729 -23.722 405 HA LEU 53 HA LEU 53 23.146 -5.429 -24.356 406 HB2 LEU 53 2HB LEU 53 20.580 -4.025 -25.133 407 HB3 LEU 53 3HB LEU 53 20.948 -5.718 -25.417 408 HG LEU 53 HG LEU 53 20.596 -4.408 -22.709 409 HD11 LEU 53 1HD1 LEU 53 18.582 -5.792 -22.562 410 HD12 LEU 53 2HD1 LEU 53 18.857 -6.371 -24.205 411 HD13 LEU 53 3HD1 LEU 53 18.499 -4.667 -23.919 412 HD21 LEU 53 3HD2 LEU 53 20.761 -6.692 -21.811 413 HD22 LEU 53 1HD2 LEU 53 22.256 -6.189 -22.600 414 HD23 LEU 53 2HD2 LEU 53 21.154 -7.293 -23.421 415 H ASP 54 H ASP 54 24.330 -2.835 -25.433 416 HA ASP 54 HA ASP 54 25.336 -2.092 -27.315 417 HB2 ASP 54 2HB ASP 54 25.930 -4.557 -27.449 418 HB3 ASP 54 3HB ASP 54 24.611 -4.730 -28.602 419 H ARG 55 H ARG 55 22.205 -2.198 -27.016 420 HA ARG 55 HA ARG 55 21.376 -1.637 -29.751 421 HB2 ARG 55 2HB ARG 55 19.841 -1.358 -27.147 422 HB3 ARG 55 3HB ARG 55 19.153 -1.269 -28.763 423 HG2 ARG 55 2HG ARG 55 20.434 -3.698 -27.513 424 HG3 ARG 55 3HG ARG 55 18.705 -3.425 -27.731 425 HD2 ARG 55 2HD ARG 55 20.770 -3.702 -29.916 426 HD3 ARG 55 3HD ARG 55 19.558 -4.900 -29.460 427 HE ARG 55 HE ARG 55 18.594 -2.287 -30.321 428 HH11 ARG 55 1HH1 ARG 55 19.180 -5.594 -31.119 429 HH12 ARG 55 2HH1 ARG 55 18.077 -5.567 -32.453 430 HH21 ARG 55 1HH2 ARG 55 17.189 -2.274 -32.020 431 HH22 ARG 55 2HH2 ARG 55 16.971 -3.713 -32.961 432 H THR 56 H THR 56 23.404 0.023 -29.094 433 HA THR 56 HA THR 56 22.977 2.337 -27.660 434 HB THR 56 HB THR 56 24.588 2.246 -30.219 435 HG1 THR 56 HG1 THR 56 26.088 1.088 -29.190 436 HG21 THR 56 3HG2 THR 56 24.981 3.775 -27.633 437 HG22 THR 56 1HG2 THR 56 24.400 4.455 -29.155 438 HG23 THR 56 2HG2 THR 56 26.046 3.830 -29.040 439 H ASP 57 H ASP 57 22.304 1.808 -31.127 440 HA ASP 57 HA ASP 57 21.430 4.427 -31.687 441 HB2 ASP 57 2HB ASP 57 20.707 1.823 -33.046 442 HB3 ASP 57 3HB ASP 57 20.436 3.432 -33.717 443 H ASP 58 H ASP 58 19.596 1.528 -30.689 444 HA ASP 58 HA ASP 58 17.022 2.663 -30.755 445 HB2 ASP 58 2HB ASP 58 18.084 0.558 -28.843 446 HB3 ASP 58 3HB ASP 58 16.385 0.884 -29.176 447 H ALA 59 H ALA 59 19.519 2.682 -28.245 448 HA ALA 59 HA ALA 59 18.121 4.060 -26.233 449 HB1 ALA 59 3HB ALA 59 20.323 4.659 -25.353 450 HB2 ALA 59 1HB ALA 59 21.074 4.185 -26.878 451 HB3 ALA 59 2HB ALA 59 20.291 2.972 -25.866 452 H ILE 60 H ILE 60 20.276 5.322 -28.771 453 HA ILE 60 HA ILE 60 20.094 8.039 -28.285 454 HB ILE 60 HB ILE 60 20.324 6.622 -30.952 455 HG12 ILE 60 2HG1 ILE 60 22.484 7.805 -29.186 456 HG13 ILE 60 3HG1 ILE 60 22.066 6.096 -29.223 457 HG21 ILE 60 1HG2 ILE 60 19.646 8.927 -31.320 458 HG22 ILE 60 2HG2 ILE 60 21.335 8.715 -31.782 459 HG23 ILE 60 3HG2 ILE 60 20.932 9.501 -30.257 460 HD11 ILE 60 3HD1 ILE 60 22.699 6.007 -31.586 461 HD12 ILE 60 1HD1 ILE 60 24.031 6.529 -30.553 462 HD13 ILE 60 2HD1 ILE 60 23.148 7.713 -31.516 463 H ASP 61 H ASP 61 17.998 6.089 -30.415 464 HA ASP 61 HA ASP 61 16.281 8.160 -31.220 465 HB2 ASP 61 2HB ASP 61 16.479 5.838 -32.215 466 HB3 ASP 61 3HB ASP 61 15.501 5.256 -30.870 467 H THR 62 H THR 62 16.123 5.969 -28.438 468 HA THR 62 HA THR 62 13.668 6.813 -27.354 469 HB THR 62 HB THR 62 16.137 5.778 -25.930 470 HG1 THR 62 HG1 THR 62 15.362 4.160 -27.191 471 HG21 THR 62 3HG2 THR 62 13.304 6.025 -24.885 472 HG22 THR 62 1HG2 THR 62 14.692 6.971 -24.344 473 HG23 THR 62 2HG2 THR 62 14.644 5.233 -24.053 474 H TYR 63 H TYR 63 16.974 8.029 -26.755 475 HA TYR 63 HA TYR 63 16.297 10.038 -24.908 476 HB2 TYR 63 2HB TYR 63 18.582 9.959 -26.899 477 HB3 TYR 63 3HB TYR 63 18.448 11.120 -25.583 478 HD1 TYR 63 HD2 TYR 63 17.828 9.737 -23.229 479 HD2 TYR 63 HD1 TYR 63 20.169 8.335 -26.496 480 HE1 TYR 63 HE2 TYR 63 18.984 8.170 -21.728 481 HE2 TYR 63 HE1 TYR 63 21.329 6.767 -25.003 482 HH TYR 63 HH TYR 63 21.782 6.371 -22.743 483 H ALA 64 H ALA 64 16.331 10.057 -28.441 484 HA ALA 64 HA ALA 64 16.078 12.769 -28.963 485 HB1 ALA 64 3HB ALA 64 16.424 11.076 -30.693 486 HB2 ALA 64 1HB ALA 64 15.064 12.131 -31.088 487 HB3 ALA 64 2HB ALA 64 14.771 10.504 -30.470 488 H GLN 65 H GLN 65 13.421 10.436 -28.400 489 HA GLN 65 HA GLN 65 11.402 12.487 -28.405 490 HB2 GLN 65 2HB GLN 65 11.118 9.977 -28.949 491 HB3 GLN 65 3HB GLN 65 11.077 9.730 -27.211 492 HG2 GLN 65 2HG GLN 65 9.206 11.636 -28.592 493 HG3 GLN 65 3HG GLN 65 8.855 9.918 -28.458 494 HE21 GLN 65 1HE2 GLN 65 10.004 9.660 -25.803 495 HE22 GLN 65 2HE2 GLN 65 8.896 10.421 -24.723 496 H GLY 66 H GLY 66 13.249 10.757 -25.925 497 HA2 GLY 66 2HA GLY 66 12.020 11.724 -23.615 498 HA3 GLY 66 3HA GLY 66 13.722 11.309 -23.746 499 H ILE 67 H ILE 67 14.329 13.305 -25.749 500 HA ILE 67 HA ILE 67 14.988 15.557 -24.261 501 HB ILE 67 HB ILE 67 14.633 15.149 -27.232 502 HG12 ILE 67 2HG1 ILE 67 17.091 15.547 -25.502 503 HG13 ILE 67 3HG1 ILE 67 16.508 14.001 -26.107 504 HG21 ILE 67 1HG2 ILE 67 15.673 17.655 -25.912 505 HG22 ILE 67 2HG2 ILE 67 14.170 17.508 -26.819 506 HG23 ILE 67 3HG2 ILE 67 15.718 17.303 -27.638 507 HD11 ILE 67 3HD1 ILE 67 18.370 14.789 -27.419 508 HD12 ILE 67 1HD1 ILE 67 17.523 16.295 -27.769 509 HD13 ILE 67 2HD1 ILE 67 16.904 14.768 -28.400 510 H GLU 68 H GLU 68 12.120 14.965 -26.269 511 HA GLU 68 HA GLU 68 11.001 17.545 -26.067 512 HB2 GLU 68 2HB GLU 68 9.513 14.928 -26.411 513 HB3 GLU 68 3HB GLU 68 8.913 16.532 -26.812 514 HG2 GLU 68 2HG GLU 68 10.832 16.702 -28.455 515 HG3 GLU 68 3HG GLU 68 11.107 14.984 -28.174 516 H VAL 69 H VAL 69 10.212 14.573 -24.215 517 HA VAL 69 HA VAL 69 8.426 15.884 -22.438 518 HB VAL 69 HB VAL 69 8.514 13.886 -21.052 519 HG11 VAL 69 1HG1 VAL 69 8.512 13.237 -24.002 520 HG12 VAL 69 2HG1 VAL 69 7.137 13.808 -23.053 521 HG13 VAL 69 3HG1 VAL 69 7.835 12.221 -22.728 522 HG21 VAL 69 3HG2 VAL 69 10.917 13.451 -21.113 523 HG22 VAL 69 1HG2 VAL 69 10.804 12.988 -22.810 524 HG23 VAL 69 2HG2 VAL 69 10.008 12.014 -21.575 525 H ALA 70 H ALA 70 11.911 15.479 -22.374 526 HA ALA 70 HA ALA 70 12.318 16.109 -19.632 527 HB1 ALA 70 3HB ALA 70 14.652 16.472 -20.242 528 HB2 ALA 70 1HB ALA 70 14.216 16.485 -21.953 529 HB3 ALA 70 2HB ALA 70 14.026 15.009 -21.006 530 H ARG 71 H ARG 71 12.584 18.136 -22.565 531 HA ARG 71 HA ARG 71 13.163 20.530 -21.152 532 HB2 ARG 71 2HB ARG 71 12.782 21.658 -23.311 533 HB3 ARG 71 3HB ARG 71 13.814 20.245 -23.478 534 HG2 ARG 71 2HG ARG 71 11.823 18.957 -24.243 535 HG3 ARG 71 3HG ARG 71 10.897 20.457 -24.208 536 HD2 ARG 71 2HD ARG 71 13.368 19.968 -25.877 537 HD3 ARG 71 3HD ARG 71 11.707 19.882 -26.465 538 HE ARG 71 HE ARG 71 12.323 22.400 -25.248 539 HH11 ARG 71 1HH1 ARG 71 12.592 20.567 -28.149 540 HH12 ARG 71 2HH1 ARG 71 12.674 21.966 -29.159 541 HH21 ARG 71 1HH2 ARG 71 12.439 24.192 -26.542 542 HH22 ARG 71 2HH2 ARG 71 12.574 24.005 -28.253 543 H GLU 72 H GLU 72 10.103 19.131 -22.300 544 HA GLU 72 HA GLU 72 8.646 21.538 -21.547 545 HB2 GLU 72 2HB GLU 72 7.660 18.924 -22.699 546 HB3 GLU 72 3HB GLU 72 6.648 20.330 -22.386 547 HG2 GLU 72 2HG GLU 72 8.289 21.593 -23.920 548 HG3 GLU 72 3HG GLU 72 8.814 19.989 -24.431 549 H GLU 73 H GLU 73 8.598 18.100 -20.514 550 HA GLU 73 HA GLU 73 6.727 18.726 -18.390 551 HB2 GLU 73 2HB GLU 73 8.158 16.111 -18.898 552 HB3 GLU 73 3HB GLU 73 6.740 16.358 -17.889 553 HG2 GLU 73 2HG GLU 73 6.879 16.657 -20.886 554 HG3 GLU 73 3HG GLU 73 6.130 15.332 -20.000 555 H GLY 74 H GLY 74 10.088 17.507 -18.524 556 HA2 GLY 74 2HA GLY 74 10.429 17.860 -15.658 557 HA3 GLY 74 3HA GLY 74 11.645 17.299 -16.794 558 H THR 75 H THR 75 13.361 18.635 -16.827 559 HA THR 75 HA THR 75 12.919 21.482 -17.285 560 HB THR 75 HB THR 75 13.063 21.392 -14.838 561 HG1 THR 75 HG1 THR 75 13.954 23.257 -15.429 562 HG21 THR 75 3HG2 THR 75 14.388 19.346 -14.585 563 HG22 THR 75 1HG2 THR 75 15.134 20.692 -13.721 564 HG23 THR 75 2HG2 THR 75 15.793 20.164 -15.269 565 H GLN 76 H GLN 76 15.244 22.588 -17.435 566 HA GLN 76 HA GLN 76 16.441 21.459 -19.722 567 HB2 GLN 76 2HB GLN 76 16.417 23.894 -19.156 568 HB3 GLN 76 3HB GLN 76 17.619 23.585 -17.911 569 HG2 GLN 76 2HG GLN 76 19.250 22.952 -19.542 570 HG3 GLN 76 3HG GLN 76 18.046 22.970 -20.831 571 HE21 GLN 76 1HE2 GLN 76 17.277 24.968 -21.584 572 HE22 GLN 76 2HE2 GLN 76 18.157 26.431 -21.316 573 H LYS 77 H LYS 77 17.163 21.089 -16.339 574 HA LYS 77 HA LYS 77 19.766 20.055 -16.488 575 HB2 LYS 77 2HB LYS 77 18.675 20.688 -14.382 576 HB3 LYS 77 3HB LYS 77 17.542 19.355 -14.554 577 HG2 LYS 77 2HG LYS 77 19.369 17.752 -14.335 578 HG3 LYS 77 3HG LYS 77 20.531 19.075 -14.217 579 HD2 LYS 77 2HD LYS 77 18.267 18.549 -12.281 580 HD3 LYS 77 3HD LYS 77 19.963 18.141 -12.009 581 HE2 LYS 77 2HE LYS 77 20.547 20.533 -12.189 582 HE3 LYS 77 3HE LYS 77 18.840 20.920 -12.405 583 HZ1 LYS 77 3HZ LYS 77 20.024 19.633 -10.007 584 HZ2 LYS 77 1HZ LYS 77 18.392 20.028 -10.212 585 HZ3 LYS 77 2HZ LYS 77 19.555 21.251 -10.126 586 H ASP 78 H ASP 78 16.642 18.284 -16.514 587 HA ASP 78 HA ASP 78 17.762 15.731 -17.011 588 HB2 ASP 78 2HB ASP 78 15.011 16.736 -17.790 589 HB3 ASP 78 3HB ASP 78 15.499 15.051 -17.623 590 H LEU 79 H LEU 79 16.540 18.267 -19.134 591 HA LEU 79 HA LEU 79 16.758 17.089 -21.625 592 HB2 LEU 79 2HB LEU 79 15.822 19.319 -21.213 593 HB3 LEU 79 3HB LEU 79 17.416 19.929 -20.815 594 HG LEU 79 HG LEU 79 18.131 19.463 -23.162 595 HD11 LEU 79 1HD1 LEU 79 16.521 17.716 -23.693 596 HD12 LEU 79 2HD1 LEU 79 16.422 19.041 -24.854 597 HD13 LEU 79 3HD1 LEU 79 15.201 18.884 -23.590 598 HD21 LEU 79 3HD2 LEU 79 15.757 21.302 -22.835 599 HD22 LEU 79 1HD2 LEU 79 16.929 21.363 -24.152 600 HD23 LEU 79 2HD2 LEU 79 17.441 21.701 -22.500 601 H SER 80 H SER 80 19.288 18.831 -19.824 602 HA SER 80 HA SER 80 21.371 18.591 -21.670 603 HB2 SER 80 2HB SER 80 21.521 20.078 -19.737 604 HB3 SER 80 3HB SER 80 21.536 18.694 -18.644 605 HG SER 80 HG SER 80 23.639 19.172 -18.896 606 H GLU 81 H GLU 81 20.461 16.407 -19.019 607 HA GLU 81 HA GLU 81 22.576 14.577 -19.256 608 HB2 GLU 81 2HB GLU 81 19.738 14.146 -18.293 609 HB3 GLU 81 3HB GLU 81 21.044 12.990 -18.071 610 HG2 GLU 81 2HG GLU 81 21.128 15.809 -17.013 611 HG3 GLU 81 3HG GLU 81 20.515 14.440 -16.089 612 H LEU 82 H LEU 82 19.295 14.404 -20.671 613 HA LEU 82 HA LEU 82 19.705 11.959 -22.039 614 HB2 LEU 82 2HB LEU 82 17.746 14.183 -22.631 615 HB3 LEU 82 3HB LEU 82 17.670 12.566 -23.311 616 HG LEU 82 HG LEU 82 17.373 13.269 -20.378 617 HD11 LEU 82 1HD1 LEU 82 15.345 12.318 -22.401 618 HD12 LEU 82 2HD1 LEU 82 15.436 13.928 -21.687 619 HD13 LEU 82 3HD1 LEU 82 15.054 12.535 -20.675 620 HD21 LEU 82 3HD2 LEU 82 16.794 10.904 -20.073 621 HD22 LEU 82 1HD2 LEU 82 18.448 11.096 -20.655 622 HD23 LEU 82 2HD2 LEU 82 17.174 10.590 -21.766 623 H GLN 83 H GLN 83 19.942 15.334 -23.176 624 HA GLN 83 HA GLN 83 20.652 14.839 -25.831 625 HB2 GLN 83 2HB GLN 83 21.470 17.077 -23.966 626 HB3 GLN 83 3HB GLN 83 21.867 17.062 -25.680 627 HG2 GLN 83 2HG GLN 83 19.533 17.113 -26.275 628 HG3 GLN 83 3HG GLN 83 19.059 16.967 -24.582 629 HE21 GLN 83 1HE2 GLN 83 21.089 18.783 -23.606 630 HE22 GLN 83 2HE2 GLN 83 20.605 20.365 -24.079 631 H ASP 84 H ASP 84 22.741 15.114 -22.964 632 HA ASP 84 HA ASP 84 25.206 14.760 -24.275 633 HB2 ASP 84 2HB ASP 84 25.090 15.630 -22.016 634 HB3 ASP 84 3HB ASP 84 24.377 14.129 -21.433 635 H ALA 85 H ALA 85 22.960 12.417 -22.852 636 HA ALA 85 HA ALA 85 24.548 10.131 -22.964 637 HB1 ALA 85 3HB ALA 85 22.470 8.870 -22.846 638 HB2 ALA 85 1HB ALA 85 21.555 10.307 -23.307 639 HB3 ALA 85 2HB ALA 85 22.415 10.264 -21.767 640 H LYS 86 H LYS 86 22.209 11.287 -25.434 641 HA LYS 86 HA LYS 86 22.953 9.266 -27.324 642 HB2 LYS 86 2HB LYS 86 21.592 10.521 -28.930 643 HB3 LYS 86 3HB LYS 86 20.744 10.302 -27.408 644 HG2 LYS 86 2HG LYS 86 21.232 12.594 -26.769 645 HG3 LYS 86 3HG LYS 86 22.160 12.830 -28.251 646 HD2 LYS 86 2HD LYS 86 19.218 12.140 -28.146 647 HD3 LYS 86 3HD LYS 86 19.863 13.765 -28.376 648 HE2 LYS 86 2HE LYS 86 20.376 11.418 -30.212 649 HE3 LYS 86 3HE LYS 86 19.182 12.682 -30.497 650 HZ1 LYS 86 3HZ LYS 86 20.936 14.306 -30.609 651 HZ2 LYS 86 1HZ LYS 86 21.266 13.060 -31.704 652 HZ3 LYS 86 2HZ LYS 86 22.106 13.144 -30.240 653 H LEU 87 H LEU 87 24.082 12.504 -26.641 654 HA LEU 87 HA LEU 87 25.431 13.075 -29.036 655 HB2 LEU 87 2HB LEU 87 24.942 14.713 -27.242 656 HB3 LEU 87 3HB LEU 87 26.148 13.942 -26.228 657 HG LEU 87 HG LEU 87 27.905 14.583 -27.852 658 HD11 LEU 87 1HD1 LEU 87 27.386 16.180 -29.634 659 HD12 LEU 87 2HD1 LEU 87 25.667 16.042 -29.264 660 HD13 LEU 87 3HD1 LEU 87 26.553 14.646 -29.880 661 HD21 LEU 87 3HD2 LEU 87 26.205 16.891 -26.898 662 HD22 LEU 87 1HD2 LEU 87 27.913 16.968 -27.336 663 HD23 LEU 87 2HD2 LEU 87 27.403 16.024 -25.936 664 H LYS 88 H LYS 88 26.658 11.575 -26.036 665 HA LYS 88 HA LYS 88 29.227 10.978 -27.162 666 HB2 LYS 88 2HB LYS 88 29.602 9.660 -25.125 667 HB3 LYS 88 3HB LYS 88 28.969 11.257 -24.752 668 HG2 LYS 88 2HG LYS 88 26.738 10.293 -24.421 669 HG3 LYS 88 3HG LYS 88 27.380 8.692 -24.792 670 HD2 LYS 88 2HD LYS 88 28.877 8.843 -22.853 671 HD3 LYS 88 3HD LYS 88 28.242 10.448 -22.484 672 HE2 LYS 88 2HE LYS 88 26.015 9.485 -22.135 673 HE3 LYS 88 3HE LYS 88 26.643 7.882 -22.512 674 HZ1 LYS 88 3HZ LYS 88 26.467 8.288 -20.119 675 HZ2 LYS 88 1HZ LYS 88 27.553 9.573 -20.253 676 HZ3 LYS 88 2HZ LYS 88 28.065 8.001 -20.590 677 H ALA 89 H ALA 89 26.195 9.223 -26.830 678 HA ALA 89 HA ALA 89 27.023 6.623 -27.358 679 HB1 ALA 89 3HB ALA 89 24.424 7.924 -28.165 680 HB2 ALA 89 1HB ALA 89 24.777 7.194 -26.599 681 HB3 ALA 89 2HB ALA 89 24.720 6.190 -28.048 682 H GLU 90 H GLU 90 26.160 9.173 -29.690 683 HA GLU 90 HA GLU 90 26.411 7.622 -32.029 684 HB2 GLU 90 2HB GLU 90 26.747 10.589 -31.556 685 HB3 GLU 90 3HB GLU 90 26.780 9.864 -33.156 686 HG2 GLU 90 2HG GLU 90 24.447 9.458 -31.313 687 HG3 GLU 90 3HG GLU 90 24.588 10.898 -32.316 688 H GLY 91 H GLY 91 28.836 8.890 -29.919 689 HA2 GLY 91 2HA GLY 91 30.945 8.558 -31.955 690 HA3 GLY 91 3HA GLY 91 31.121 9.391 -30.420 691 H LEU 92 H LEU 92 29.476 6.516 -29.890 692 HA LEU 92 HA LEU 92 31.784 5.309 -28.643 693 HB2 LEU 92 2HB LEU 92 28.934 4.341 -28.903 694 HB3 LEU 92 3HB LEU 92 30.175 3.531 -27.963 695 HG LEU 92 HG LEU 92 29.064 6.294 -27.434 696 HD11 LEU 92 1HD1 LEU 92 27.505 4.517 -26.865 697 HD12 LEU 92 2HD1 LEU 92 28.142 5.277 -25.408 698 HD13 LEU 92 3HD1 LEU 92 28.750 3.701 -25.919 699 HD21 LEU 92 3HD2 LEU 92 31.430 6.178 -26.843 700 HD22 LEU 92 1HD2 LEU 92 31.135 4.714 -25.903 701 HD23 LEU 92 2HD2 LEU 92 30.423 6.247 -25.396 702 H GLU 93 H GLU 93 30.114 4.923 -31.650 703 HA GLU 93 HA GLU 93 32.022 3.023 -32.624 704 HB2 GLU 93 2HB GLU 93 30.483 1.168 -33.041 705 HB3 GLU 93 3HB GLU 93 30.590 1.511 -31.319 706 HG2 GLU 93 2HG GLU 93 28.476 2.815 -31.512 707 HG3 GLU 93 3HG GLU 93 28.351 2.275 -33.185 708 H HIS 94 H HIS 94 31.093 2.099 -34.871 709 HA HIS 94 HA HIS 94 30.687 4.492 -36.437 710 HB2 HIS 94 2HB HIS 94 30.931 1.601 -37.312 711 HB3 HIS 94 3HB HIS 94 30.960 2.995 -38.384 712 HD1 HIS 94 HD1 HIS 94 33.261 3.540 -39.090 713 HD2 HIS 94 HD2 HIS 94 33.168 1.976 -35.240 714 HE1 HIS 94 HE1 HIS 94 35.650 3.457 -38.338 715 HE2 HIS 94 HE2 HIS 94 35.553 2.663 -35.957 716 H HIS 95 H HIS 95 28.528 5.098 -35.796 717 HA HIS 95 HA HIS 95 26.323 3.357 -36.531 718 HB2 HIS 95 2HB HIS 95 26.417 6.191 -35.482 719 HB3 HIS 95 3HB HIS 95 24.916 5.368 -35.891 720 HD1 HIS 95 HD1 HIS 95 25.526 6.325 -33.014 721 HD2 HIS 95 HD2 HIS 95 26.213 2.481 -34.429 722 HE1 HIS 95 HE1 HIS 95 25.519 4.851 -30.986 723 HE2 HIS 95 HE2 HIS 95 25.742 2.512 -31.890 724 H HIS 96 H HIS 96 27.351 6.616 -37.590 725 HA HIS 96 HA HIS 96 25.915 6.172 -40.127 726 HB2 HIS 96 2HB HIS 96 26.964 8.791 -39.024 727 HB3 HIS 96 3HB HIS 96 25.885 8.576 -40.399 728 HD1 HIS 96 HD1 HIS 96 23.483 7.344 -39.665 729 HD2 HIS 96 HD2 HIS 96 25.658 9.303 -36.711 730 HE1 HIS 96 HE1 HIS 96 21.861 7.764 -37.798 731 HE2 HIS 96 HE2 HIS 96 23.237 8.805 -35.966 732 H HIS 97 H HIS 97 27.031 7.342 -42.078 733 HA HIS 97 HA HIS 97 29.779 6.285 -42.105 734 HB2 HIS 97 2HB HIS 97 28.159 5.329 -43.723 735 HB3 HIS 97 3HB HIS 97 28.002 6.917 -44.471 736 HD1 HIS 97 HD1 HIS 97 31.060 4.854 -43.480 737 HD2 HIS 97 HD2 HIS 97 29.473 6.866 -46.752 738 HE1 HIS 97 HE1 HIS 97 32.761 4.621 -45.299 739 HE2 HIS 97 HE2 HIS 97 31.713 5.695 -47.309 740 H HIS 98 H HIS 98 28.001 9.270 -42.694 741 HA HIS 98 HA HIS 98 30.593 10.618 -43.134 742 HB2 HIS 98 2HB HIS 98 29.267 10.354 -45.257 743 HB3 HIS 98 3HB HIS 98 28.017 11.365 -44.543 744 HD1 HIS 98 HD1 HIS 98 28.205 13.764 -45.128 745 HD2 HIS 98 HD2 HIS 98 31.880 11.838 -45.349 746 HE1 HIS 98 HE1 HIS 98 29.816 15.484 -45.990 747 HE2 HIS 98 HE2 HIS 98 32.060 14.356 -45.904 748 H HIS 99 H HIS 99 28.563 10.261 -40.827 749 HA HIS 99 HA HIS 99 28.841 12.991 -39.859 750 HB2 HIS 99 2HB HIS 99 26.609 12.955 -40.958 751 HB3 HIS 99 3HB HIS 99 26.124 11.641 -39.890 752 HD1 HIS 99 HD1 HIS 99 25.145 12.300 -37.674 753 HD2 HIS 99 HD2 HIS 99 27.130 15.451 -39.524 754 HE1 HIS 99 HE1 HIS 99 24.691 14.312 -36.248 755 HE2 HIS 99 HE2 HIS 99 26.013 16.169 -37.305 Start of MODEL 16 1 H1 GLU 1 1H GLU 1 0.424 1.597 -2.507 2 H2 GLU 1 2H GLU 1 0.900 2.501 -3.857 3 H3 GLU 1 3H GLU 1 1.229 3.072 -2.301 4 HA GLU 1 HA GLU 1 3.213 2.181 -3.315 5 HB2 GLU 1 2HB GLU 1 2.239 0.318 -1.132 6 HB3 GLU 1 3HB GLU 1 3.908 0.708 -1.518 7 HG2 GLU 1 2HG GLU 1 3.414 1.916 0.429 8 HG3 GLU 1 3HG GLU 1 3.358 3.101 -0.874 9 H ASP 2 H ASP 2 0.631 0.778 -4.510 10 HA ASP 2 HA ASP 2 1.544 -1.947 -4.885 11 HB2 ASP 2 2HB ASP 2 -0.801 -0.409 -6.036 12 HB3 ASP 2 3HB ASP 2 -0.487 -2.111 -6.363 13 HA PRO 3 HA PRO 3 3.691 -1.707 -8.824 14 HB2 PRO 3 2HB PRO 3 1.539 -3.437 -9.978 15 HB3 PRO 3 3HB PRO 3 3.295 -3.631 -10.044 16 HG2 PRO 3 2HG PRO 3 1.852 -5.130 -8.396 17 HG3 PRO 3 3HG PRO 3 3.415 -4.469 -7.870 18 HD2 PRO 3 2HD PRO 3 0.640 -3.570 -7.182 19 HD3 PRO 3 3HD PRO 3 2.090 -3.637 -6.159 20 H GLU 4 H GLU 4 0.364 -0.832 -8.569 21 HA GLU 4 HA GLU 4 -0.039 0.333 -11.119 22 HB2 GLU 4 2HB GLU 4 -1.257 1.055 -8.443 23 HB3 GLU 4 3HB GLU 4 -1.866 1.578 -10.008 24 HG2 GLU 4 2HG GLU 4 -2.380 -0.709 -10.614 25 HG3 GLU 4 3HG GLU 4 -1.669 -1.296 -9.113 26 H ASP 5 H ASP 5 1.385 1.551 -8.120 27 HA ASP 5 HA ASP 5 1.669 4.254 -8.914 28 HB2 ASP 5 2HB ASP 5 3.228 2.604 -6.907 29 HB3 ASP 5 3HB ASP 5 3.392 4.348 -7.095 30 HA PRO 6 HA PRO 6 4.757 3.923 -12.128 31 HB2 PRO 6 2HB PRO 6 5.866 6.468 -11.662 32 HB3 PRO 6 3HB PRO 6 4.540 6.091 -12.764 33 HG2 PRO 6 2HG PRO 6 4.445 7.142 -9.971 34 HG3 PRO 6 3HG PRO 6 3.405 7.528 -11.355 35 HD2 PRO 6 2HD PRO 6 2.547 5.925 -9.395 36 HD3 PRO 6 3HD PRO 6 2.127 5.592 -11.090 37 H PHE 7 H PHE 7 5.728 5.249 -8.961 38 HA PHE 7 HA PHE 7 8.497 4.755 -9.231 39 HB2 PHE 7 2HB PHE 7 7.540 6.291 -7.553 40 HB3 PHE 7 3HB PHE 7 6.829 4.922 -6.707 41 HD1 PHE 7 HD1 PHE 7 10.060 6.446 -7.708 42 HD2 PHE 7 HD2 PHE 7 8.073 3.719 -5.106 43 HE1 PHE 7 HE1 PHE 7 12.114 6.224 -6.376 44 HE2 PHE 7 HE2 PHE 7 10.126 3.495 -3.772 45 HZ PHE 7 HZ PHE 7 12.149 4.749 -4.403 46 H THR 8 H THR 8 5.862 2.745 -7.966 47 HA THR 8 HA THR 8 7.546 0.682 -6.942 48 HB THR 8 HB THR 8 4.623 0.494 -7.725 49 HG1 THR 8 HG1 THR 8 4.284 0.877 -5.481 50 HG21 THR 8 3HG2 THR 8 5.659 -1.713 -7.509 51 HG22 THR 8 1HG2 THR 8 4.567 -1.410 -6.156 52 HG23 THR 8 2HG2 THR 8 6.310 -1.268 -5.931 53 H ARG 9 H ARG 9 5.499 0.798 -9.901 54 HA ARG 9 HA ARG 9 6.400 -1.645 -10.967 55 HB2 ARG 9 2HB ARG 9 5.650 -0.646 -13.207 56 HB3 ARG 9 3HB ARG 9 4.443 -0.787 -11.937 57 HG2 ARG 9 2HG ARG 9 4.962 1.650 -11.392 58 HG3 ARG 9 3HG ARG 9 5.819 1.694 -12.933 59 HD2 ARG 9 2HD ARG 9 2.965 0.743 -12.753 60 HD3 ARG 9 3HD ARG 9 3.352 2.456 -12.869 61 HE ARG 9 HE ARG 9 4.091 2.136 -15.056 62 HH11 ARG 9 1HH1 ARG 9 3.032 -0.837 -13.662 63 HH12 ARG 9 2HH1 ARG 9 2.914 -1.640 -15.184 64 HH21 ARG 9 1HH2 ARG 9 3.889 1.105 -17.015 65 HH22 ARG 9 2HH2 ARG 9 3.375 -0.549 -17.064 66 H TYR 10 H TYR 10 7.841 1.553 -11.076 67 HA TYR 10 HA TYR 10 9.929 0.896 -12.914 68 HB2 TYR 10 2HB TYR 10 9.185 3.222 -12.338 69 HB3 TYR 10 3HB TYR 10 9.924 3.021 -10.754 70 HD1 TYR 10 HD2 TYR 10 10.771 2.827 -14.384 71 HD2 TYR 10 HD1 TYR 10 12.136 3.721 -10.453 72 HE1 TYR 10 HE2 TYR 10 12.898 3.617 -15.313 73 HE2 TYR 10 HE1 TYR 10 14.271 4.517 -11.378 74 HH TYR 10 HH TYR 10 14.719 5.103 -14.696 75 H ALA 11 H ALA 11 9.672 0.883 -9.365 76 HA ALA 11 HA ALA 11 12.309 0.173 -8.749 77 HB1 ALA 11 3HB ALA 11 10.703 0.954 -7.072 78 HB2 ALA 11 1HB ALA 11 11.448 -0.571 -6.592 79 HB3 ALA 11 2HB ALA 11 9.802 -0.555 -7.227 80 H LEU 12 H LEU 12 9.477 -1.939 -9.308 81 HA LEU 12 HA LEU 12 10.795 -4.397 -8.981 82 HB2 LEU 12 2HB LEU 12 8.324 -3.565 -10.465 83 HB3 LEU 12 3HB LEU 12 8.943 -5.189 -10.680 84 HG LEU 12 HG LEU 12 7.176 -5.175 -9.014 85 HD11 LEU 12 1HD1 LEU 12 8.967 -6.786 -8.734 86 HD12 LEU 12 2HD1 LEU 12 8.358 -6.257 -7.166 87 HD13 LEU 12 3HD1 LEU 12 9.888 -5.626 -7.776 88 HD21 LEU 12 3HD2 LEU 12 8.910 -3.254 -7.459 89 HD22 LEU 12 1HD2 LEU 12 7.417 -4.000 -6.886 90 HD23 LEU 12 2HD2 LEU 12 7.375 -2.870 -8.238 91 H ALA 13 H ALA 13 10.551 -2.285 -11.815 92 HA ALA 13 HA ALA 13 11.762 -3.962 -13.707 93 HB1 ALA 13 3HB ALA 13 12.310 -1.932 -14.930 94 HB2 ALA 13 1HB ALA 13 12.016 -0.960 -13.488 95 HB3 ALA 13 2HB ALA 13 10.684 -1.821 -14.258 96 H GLN 14 H GLN 14 13.285 -1.587 -11.503 97 HA GLN 14 HA GLN 14 15.963 -2.161 -12.179 98 HB2 GLN 14 2HB GLN 14 14.913 -1.224 -9.499 99 HB3 GLN 14 3HB GLN 14 16.564 -1.067 -10.086 100 HG2 GLN 14 2HG GLN 14 15.729 0.398 -11.907 101 HG3 GLN 14 3HG GLN 14 14.119 0.307 -11.193 102 HE21 GLN 14 1HE2 GLN 14 17.092 0.465 -9.346 103 HE22 GLN 14 2HE2 GLN 14 16.821 2.042 -8.705 104 H GLU 15 H GLU 15 13.823 -3.540 -9.716 105 HA GLU 15 HA GLU 15 15.575 -5.283 -8.448 106 HB2 GLU 15 2HB GLU 15 12.621 -5.460 -9.023 107 HB3 GLU 15 3HB GLU 15 13.454 -6.743 -8.158 108 HG2 GLU 15 2HG GLU 15 13.471 -3.862 -7.276 109 HG3 GLU 15 3HG GLU 15 12.293 -5.051 -6.722 110 H HIS 16 H HIS 16 13.576 -5.920 -11.343 111 HA HIS 16 HA HIS 16 14.410 -8.564 -11.726 112 HB2 HIS 16 2HB HIS 16 13.279 -6.506 -13.608 113 HB3 HIS 16 3HB HIS 16 13.761 -8.097 -14.191 114 HD1 HIS 16 HD1 HIS 16 12.615 -10.124 -12.596 115 HD2 HIS 16 HD2 HIS 16 10.667 -6.465 -12.879 116 HE1 HIS 16 HE1 HIS 16 10.240 -10.578 -11.953 117 HE2 HIS 16 HE2 HIS 16 9.049 -8.393 -12.281 118 H LEU 17 H LEU 17 15.860 -5.545 -12.966 119 HA LEU 17 HA LEU 17 17.876 -6.624 -14.558 120 HB2 LEU 17 2HB LEU 17 17.945 -4.206 -12.739 121 HB3 LEU 17 3HB LEU 17 19.239 -4.605 -13.854 122 HG LEU 17 HG LEU 17 16.389 -4.002 -14.677 123 HD11 LEU 17 1HD1 LEU 17 17.311 -1.883 -15.522 124 HD12 LEU 17 2HD1 LEU 17 18.865 -2.275 -14.785 125 HD13 LEU 17 3HD1 LEU 17 17.447 -2.013 -13.769 126 HD21 LEU 17 3HD2 LEU 17 17.532 -5.489 -16.235 127 HD22 LEU 17 1HD2 LEU 17 18.907 -4.386 -16.308 128 HD23 LEU 17 2HD2 LEU 17 17.338 -3.886 -16.943 129 H LYS 18 H LYS 18 17.899 -6.056 -11.059 130 HA LYS 18 HA LYS 18 20.497 -7.119 -10.586 131 HB2 LYS 18 2HB LYS 18 18.178 -6.838 -8.656 132 HB3 LYS 18 3HB LYS 18 19.874 -7.017 -8.227 133 HG2 LYS 18 2HG LYS 18 20.396 -4.857 -9.169 134 HG3 LYS 18 3HG LYS 18 18.749 -4.688 -9.779 135 HD2 LYS 18 2HD LYS 18 19.004 -3.376 -7.759 136 HD3 LYS 18 3HD LYS 18 17.909 -4.724 -7.451 137 HE2 LYS 18 2HE LYS 18 19.456 -4.414 -5.591 138 HE3 LYS 18 3HE LYS 18 19.736 -5.962 -6.386 139 HZ1 LYS 18 3HZ LYS 18 21.802 -4.805 -5.865 140 HZ2 LYS 18 1HZ LYS 18 21.334 -3.494 -6.825 141 HZ3 LYS 18 2HZ LYS 18 21.620 -5.003 -7.532 142 H HIS 19 H HIS 19 17.250 -8.505 -10.509 143 HA HIS 19 HA HIS 19 18.141 -11.018 -9.369 144 HB2 HIS 19 2HB HIS 19 15.423 -10.137 -10.371 145 HB3 HIS 19 3HB HIS 19 15.747 -11.657 -9.542 146 HD1 HIS 19 HD1 HIS 19 17.444 -10.731 -7.197 147 HD2 HIS 19 HD2 HIS 19 14.079 -8.688 -8.517 148 HE1 HIS 19 HE1 HIS 19 16.665 -9.383 -5.232 149 HE2 HIS 19 HE2 HIS 19 14.712 -8.053 -6.093 150 H ASP 20 H ASP 20 19.098 -10.196 -12.092 151 HA ASP 20 HA ASP 20 19.854 -11.346 -13.899 152 HB2 ASP 20 2HB ASP 20 19.975 -13.219 -12.182 153 HB3 ASP 20 3HB ASP 20 18.434 -13.788 -12.814 154 H ASN 21 H ASN 21 16.902 -10.329 -13.598 155 HA ASN 21 HA ASN 21 15.791 -11.671 -15.979 156 HB2 ASN 21 2HB ASN 21 14.431 -9.946 -13.895 157 HB3 ASN 21 3HB ASN 21 13.636 -10.633 -15.304 158 HD21 ASN 21 1HD2 ASN 21 14.932 -13.146 -15.249 159 HD22 ASN 21 2HD2 ASN 21 14.332 -14.010 -13.882 160 H ALA 22 H ALA 22 17.462 -10.339 -17.176 161 HA ALA 22 HA ALA 22 17.289 -7.528 -17.355 162 HB1 ALA 22 3HB ALA 22 18.681 -7.738 -19.334 163 HB2 ALA 22 1HB ALA 22 18.328 -9.466 -19.424 164 HB3 ALA 22 2HB ALA 22 19.253 -8.823 -18.067 165 H SER 23 H SER 23 15.973 -10.045 -19.551 166 HA SER 23 HA SER 23 14.712 -8.265 -21.337 167 HB2 SER 23 2HB SER 23 14.048 -11.146 -20.678 168 HB3 SER 23 3HB SER 23 13.337 -10.248 -22.019 169 HG SER 23 HG SER 23 15.038 -10.746 -23.116 170 H ARG 24 H ARG 24 13.477 -9.905 -18.440 171 HA ARG 24 HA ARG 24 10.814 -9.041 -18.562 172 HB2 ARG 24 2HB ARG 24 12.549 -9.582 -16.145 173 HB3 ARG 24 3HB ARG 24 10.809 -9.379 -16.080 174 HG2 ARG 24 2HG ARG 24 12.249 -11.536 -17.612 175 HG3 ARG 24 3HG ARG 24 11.475 -11.738 -16.039 176 HD2 ARG 24 2HD ARG 24 9.311 -11.107 -17.050 177 HD3 ARG 24 3HD ARG 24 10.100 -10.971 -18.622 178 HE ARG 24 HE ARG 24 10.620 -13.517 -17.605 179 HH11 ARG 24 1HH1 ARG 24 7.925 -11.682 -18.724 180 HH12 ARG 24 2HH1 ARG 24 7.068 -13.080 -19.267 181 HH21 ARG 24 1HH2 ARG 24 9.512 -15.286 -18.304 182 HH22 ARG 24 2HH2 ARG 24 7.949 -15.095 -19.025 183 H ALA 25 H ALA 25 13.620 -7.488 -17.000 184 HA ALA 25 HA ALA 25 12.278 -5.201 -16.054 185 HB1 ALA 25 3HB ALA 25 15.167 -5.470 -16.888 186 HB2 ALA 25 1HB ALA 25 14.511 -5.842 -15.294 187 HB3 ALA 25 2HB ALA 25 14.493 -4.182 -15.889 188 H LEU 26 H LEU 26 14.121 -5.698 -19.074 189 HA LEU 26 HA LEU 26 13.807 -3.239 -20.274 190 HB2 LEU 26 2HB LEU 26 15.167 -5.066 -21.195 191 HB3 LEU 26 3HB LEU 26 13.711 -5.956 -21.600 192 HG LEU 26 HG LEU 26 13.086 -4.170 -23.206 193 HD11 LEU 26 1HD1 LEU 26 15.804 -3.023 -22.558 194 HD12 LEU 26 2HD1 LEU 26 14.249 -2.298 -22.138 195 HD13 LEU 26 3HD1 LEU 26 14.716 -2.469 -23.832 196 HD21 LEU 26 3HD2 LEU 26 14.297 -6.146 -23.972 197 HD22 LEU 26 1HD2 LEU 26 15.835 -5.345 -23.638 198 HD23 LEU 26 2HD2 LEU 26 14.766 -4.718 -24.893 199 H ALA 27 H ALA 27 11.555 -6.003 -20.466 200 HA ALA 27 HA ALA 27 9.599 -4.837 -22.086 201 HB1 ALA 27 3HB ALA 27 9.656 -7.219 -21.533 202 HB2 ALA 27 1HB ALA 27 8.075 -6.519 -21.180 203 HB3 ALA 27 2HB ALA 27 9.209 -6.848 -19.869 204 H LEU 28 H LEU 28 9.977 -4.713 -18.551 205 HA LEU 28 HA LEU 28 7.634 -3.245 -17.988 206 HB2 LEU 28 2HB LEU 28 10.268 -3.430 -16.521 207 HB3 LEU 28 3HB LEU 28 8.878 -2.562 -15.890 208 HG LEU 28 HG LEU 28 8.928 -5.527 -16.515 209 HD11 LEU 28 1HD1 LEU 28 8.889 -5.835 -14.085 210 HD12 LEU 28 2HD1 LEU 28 9.059 -4.092 -13.864 211 HD13 LEU 28 3HD1 LEU 28 10.357 -5.018 -14.619 212 HD21 LEU 28 3HD2 LEU 28 6.783 -5.595 -15.352 213 HD22 LEU 28 1HD2 LEU 28 6.699 -4.526 -16.751 214 HD23 LEU 28 2HD2 LEU 28 6.832 -3.846 -15.127 215 H PHE 29 H PHE 29 11.004 -2.080 -18.434 216 HA PHE 29 HA PHE 29 10.487 0.653 -18.198 217 HB2 PHE 29 2HB PHE 29 12.567 -0.783 -19.859 218 HB3 PHE 29 3HB PHE 29 12.541 0.961 -19.633 219 HD1 PHE 29 HD1 PHE 29 12.330 1.650 -17.028 220 HD2 PHE 29 HD2 PHE 29 14.020 -1.961 -18.528 221 HE1 PHE 29 HE1 PHE 29 13.672 1.427 -14.978 222 HE2 PHE 29 HE2 PHE 29 15.358 -2.190 -16.475 223 HZ PHE 29 HZ PHE 29 15.188 -0.492 -14.699 224 H GLU 30 H GLU 30 10.532 -1.322 -21.182 225 HA GLU 30 HA GLU 30 9.888 0.713 -22.998 226 HB2 GLU 30 2HB GLU 30 9.196 -2.236 -23.146 227 HB3 GLU 30 3HB GLU 30 9.111 -1.113 -24.496 228 HG2 GLU 30 2HG GLU 30 11.543 -0.718 -24.282 229 HG3 GLU 30 3HG GLU 30 11.597 -1.919 -22.993 230 H GLU 31 H GLU 31 7.811 -1.231 -20.928 231 HA GLU 31 HA GLU 31 5.335 -0.309 -22.050 232 HB2 GLU 31 2HB GLU 31 5.560 -2.443 -20.794 233 HB3 GLU 31 3HB GLU 31 5.873 -1.526 -19.325 234 HG2 GLU 31 2HG GLU 31 3.625 -0.465 -19.613 235 HG3 GLU 31 3HG GLU 31 3.332 -1.587 -20.940 236 H LEU 32 H LEU 32 7.358 0.648 -19.311 237 HA LEU 32 HA LEU 32 5.679 2.443 -18.019 238 HB2 LEU 32 2HB LEU 32 8.678 2.485 -18.354 239 HB3 LEU 32 3HB LEU 32 7.814 3.572 -17.282 240 HG LEU 32 HG LEU 32 7.774 0.555 -17.038 241 HD11 LEU 32 1HD1 LEU 32 9.368 2.617 -15.518 242 HD12 LEU 32 2HD1 LEU 32 10.004 1.368 -16.591 243 HD13 LEU 32 3HD1 LEU 32 9.227 0.914 -15.074 244 HD21 LEU 32 3HD2 LEU 32 6.800 2.722 -15.172 245 HD22 LEU 32 1HD2 LEU 32 6.781 0.988 -14.849 246 HD23 LEU 32 2HD2 LEU 32 5.780 1.654 -16.138 247 H VAL 33 H VAL 33 7.625 2.913 -20.912 248 HA VAL 33 HA VAL 33 7.538 5.679 -21.172 249 HB VAL 33 HB VAL 33 7.366 3.629 -23.396 250 HG11 VAL 33 1HG1 VAL 33 8.364 5.397 -24.807 251 HG12 VAL 33 2HG1 VAL 33 8.185 6.538 -23.475 252 HG13 VAL 33 3HG1 VAL 33 6.757 5.827 -24.224 253 HG21 VAL 33 3HG2 VAL 33 9.814 3.905 -23.529 254 HG22 VAL 33 1HG2 VAL 33 9.301 3.247 -21.974 255 HG23 VAL 33 2HG2 VAL 33 9.762 4.946 -22.106 256 H GLU 34 H GLU 34 5.122 3.299 -22.323 257 HA GLU 34 HA GLU 34 3.368 5.402 -23.261 258 HB2 GLU 34 2HB GLU 34 1.837 3.555 -23.871 259 HB3 GLU 34 3HB GLU 34 3.450 3.366 -24.542 260 HG2 GLU 34 2HG GLU 34 3.983 1.761 -22.746 261 HG3 GLU 34 3HG GLU 34 2.333 1.920 -22.145 262 H THR 35 H THR 35 3.537 3.320 -20.407 263 HA THR 35 HA THR 35 0.883 3.983 -19.492 264 HB THR 35 HB THR 35 1.452 2.848 -17.410 265 HG1 THR 35 HG1 THR 35 3.566 3.395 -17.018 266 HG21 THR 35 3HG2 THR 35 2.545 1.337 -19.794 267 HG22 THR 35 1HG2 THR 35 0.840 1.464 -19.358 268 HG23 THR 35 2HG2 THR 35 1.964 0.626 -18.288 269 H ASP 36 H ASP 36 4.150 4.948 -18.481 270 HA ASP 36 HA ASP 36 2.989 7.350 -17.218 271 HB2 ASP 36 2HB ASP 36 5.369 5.747 -16.236 272 HB3 ASP 36 3HB ASP 36 4.768 7.235 -15.510 273 HA PRO 37 HA PRO 37 6.115 8.497 -20.521 274 HB2 PRO 37 2HB PRO 37 4.647 10.505 -21.634 275 HB3 PRO 37 3HB PRO 37 4.482 8.812 -22.113 276 HG2 PRO 37 2HG PRO 37 2.789 10.421 -20.235 277 HG3 PRO 37 3HG PRO 37 2.283 9.284 -21.500 278 HD2 PRO 37 2HD PRO 37 2.353 8.598 -18.881 279 HD3 PRO 37 3HD PRO 37 2.698 7.432 -20.175 280 H ASP 38 H ASP 38 4.566 10.096 -17.929 281 HA ASP 38 HA ASP 38 6.049 12.567 -18.081 282 HB2 ASP 38 2HB ASP 38 3.762 12.296 -17.033 283 HB3 ASP 38 3HB ASP 38 4.540 11.434 -15.710 284 H TYR 39 H TYR 39 6.680 9.407 -16.918 285 HA TYR 39 HA TYR 39 8.439 10.171 -14.759 286 HB2 TYR 39 2HB TYR 39 6.978 8.007 -15.039 287 HB3 TYR 39 3HB TYR 39 8.365 7.410 -15.940 288 HD1 TYR 39 HD1 TYR 39 7.163 8.500 -12.639 289 HD2 TYR 39 HD2 TYR 39 10.424 6.811 -14.797 290 HE1 TYR 39 HE1 TYR 39 8.220 7.849 -10.518 291 HE2 TYR 39 HE2 TYR 39 11.488 6.157 -12.679 292 HH TYR 39 HH TYR 39 11.451 6.760 -10.323 293 H VAL 40 H VAL 40 10.074 11.419 -15.670 294 HA VAL 40 HA VAL 40 11.465 10.899 -18.040 295 HB VAL 40 HB VAL 40 12.487 12.374 -15.600 296 HG11 VAL 40 1HG1 VAL 40 13.952 13.559 -17.194 297 HG12 VAL 40 2HG1 VAL 40 13.389 12.496 -18.484 298 HG13 VAL 40 3HG1 VAL 40 14.301 11.831 -17.131 299 HG21 VAL 40 3HG2 VAL 40 10.351 13.265 -16.388 300 HG22 VAL 40 1HG2 VAL 40 10.998 13.403 -18.023 301 HG23 VAL 40 2HG2 VAL 40 11.661 14.396 -16.725 302 H GLY 41 H GLY 41 12.097 9.764 -14.756 303 HA2 GLY 41 2HA GLY 41 14.668 8.745 -15.012 304 HA3 GLY 41 3HA GLY 41 13.435 8.068 -13.961 305 H THR 42 H THR 42 11.644 7.347 -16.162 306 HA THR 42 HA THR 42 12.493 4.738 -16.727 307 HB THR 42 HB THR 42 10.478 6.423 -18.242 308 HG1 THR 42 HG1 THR 42 8.984 5.491 -16.870 309 HG21 THR 42 3HG2 THR 42 9.555 4.311 -19.052 310 HG22 THR 42 1HG2 THR 42 10.827 3.418 -18.216 311 HG23 THR 42 2HG2 THR 42 11.234 4.483 -19.562 312 H TYR 43 H TYR 43 12.360 7.540 -18.934 313 HA TYR 43 HA TYR 43 13.390 6.298 -21.206 314 HB2 TYR 43 2HB TYR 43 13.702 9.201 -20.397 315 HB3 TYR 43 3HB TYR 43 13.873 8.562 -22.028 316 HD1 TYR 43 HD2 TYR 43 11.492 9.398 -19.355 317 HD2 TYR 43 HD1 TYR 43 11.922 7.966 -23.344 318 HE1 TYR 43 HE2 TYR 43 9.094 9.765 -19.741 319 HE2 TYR 43 HE1 TYR 43 9.523 8.334 -23.737 320 HH TYR 43 HH TYR 43 7.565 10.123 -21.577 321 H TYR 44 H TYR 44 15.111 8.039 -18.633 322 HA TYR 44 HA TYR 44 17.645 8.070 -19.831 323 HB2 TYR 44 2HB TYR 44 16.964 9.443 -17.860 324 HB3 TYR 44 3HB TYR 44 17.043 7.995 -16.862 325 HD1 TYR 44 HD1 TYR 44 19.099 10.225 -19.019 326 HD2 TYR 44 HD2 TYR 44 19.102 7.318 -15.904 327 HE1 TYR 44 HE1 TYR 44 21.487 10.653 -18.628 328 HE2 TYR 44 HE2 TYR 44 21.489 7.743 -15.508 329 HH TYR 44 HH TYR 44 23.127 10.420 -16.804 330 H HIS 45 H HIS 45 16.416 5.796 -17.341 331 HA HIS 45 HA HIS 45 18.791 4.196 -17.472 332 HB2 HIS 45 2HB HIS 45 16.137 3.776 -16.099 333 HB3 HIS 45 3HB HIS 45 17.446 2.599 -16.019 334 HD1 HIS 45 HD1 HIS 45 19.339 3.066 -14.408 335 HD2 HIS 45 HD2 HIS 45 16.732 6.280 -14.802 336 HE1 HIS 45 HE1 HIS 45 20.009 4.701 -12.628 337 HE2 HIS 45 HE2 HIS 45 18.456 6.653 -12.913 338 H LEU 46 H LEU 46 15.639 3.997 -19.049 339 HA LEU 46 HA LEU 46 15.853 1.384 -20.077 340 HB2 LEU 46 2HB LEU 46 13.765 2.579 -20.211 341 HB3 LEU 46 3HB LEU 46 14.490 3.847 -21.181 342 HG LEU 46 HG LEU 46 14.734 2.314 -23.065 343 HD11 LEU 46 1HD1 LEU 46 15.117 0.246 -21.821 344 HD12 LEU 46 2HD1 LEU 46 13.825 0.057 -23.003 345 HD13 LEU 46 3HD1 LEU 46 13.434 0.244 -21.295 346 HD21 LEU 46 3HD2 LEU 46 11.944 2.233 -21.905 347 HD22 LEU 46 1HD2 LEU 46 12.376 2.000 -23.599 348 HD23 LEU 46 2HD2 LEU 46 12.640 3.564 -22.830 349 H GLY 47 H GLY 47 16.944 4.496 -21.437 350 HA2 GLY 47 2HA GLY 47 18.084 3.525 -23.806 351 HA3 GLY 47 3HA GLY 47 18.602 4.973 -22.957 352 H LYS 48 H LYS 48 19.553 3.893 -20.582 353 HA LYS 48 HA LYS 48 22.151 3.070 -21.220 354 HB2 LYS 48 2HB LYS 48 20.804 2.408 -18.594 355 HB3 LYS 48 3HB LYS 48 22.509 2.710 -18.886 356 HG2 LYS 48 2HG LYS 48 20.274 4.723 -18.965 357 HG3 LYS 48 3HG LYS 48 21.523 4.577 -17.735 358 HD2 LYS 48 2HD LYS 48 22.114 5.189 -20.632 359 HD3 LYS 48 3HD LYS 48 21.828 6.433 -19.420 360 HE2 LYS 48 2HE LYS 48 24.162 6.242 -19.550 361 HE3 LYS 48 3HE LYS 48 23.720 5.358 -18.092 362 HZ1 LYS 48 3HZ LYS 48 24.254 4.103 -20.730 363 HZ2 LYS 48 1HZ LYS 48 23.968 3.299 -19.267 364 HZ3 LYS 48 2HZ LYS 48 25.374 4.213 -19.468 365 H LEU 49 H LEU 49 19.281 1.170 -20.409 366 HA LEU 49 HA LEU 49 20.563 -1.360 -20.317 367 HB2 LEU 49 2HB LEU 49 18.330 -0.872 -19.343 368 HB3 LEU 49 3HB LEU 49 17.673 -0.736 -20.963 369 HG LEU 49 HG LEU 49 18.067 -3.095 -21.384 370 HD11 LEU 49 1HD1 LEU 49 18.955 -4.576 -19.632 371 HD12 LEU 49 2HD1 LEU 49 19.320 -3.168 -18.634 372 HD13 LEU 49 3HD1 LEU 49 20.149 -3.398 -20.175 373 HD21 LEU 49 3HD2 LEU 49 16.556 -4.080 -19.729 374 HD22 LEU 49 1HD2 LEU 49 15.985 -2.498 -20.259 375 HD23 LEU 49 2HD2 LEU 49 16.769 -2.672 -18.688 376 H TYR 50 H TYR 50 18.960 0.423 -22.952 377 HA TYR 50 HA TYR 50 19.277 -1.500 -24.975 378 HB2 TYR 50 2HB TYR 50 19.168 1.510 -25.064 379 HB3 TYR 50 3HB TYR 50 19.402 0.561 -26.526 380 HD1 TYR 50 HD2 TYR 50 17.630 -1.643 -26.381 381 HD2 TYR 50 HD1 TYR 50 16.999 2.320 -24.948 382 HE1 TYR 50 HE2 TYR 50 15.202 -1.953 -26.609 383 HE2 TYR 50 HE1 TYR 50 14.571 2.018 -25.176 384 HH TYR 50 HH TYR 50 13.135 -1.049 -25.768 385 H GLU 51 H GLU 51 21.517 1.071 -23.909 386 HA GLU 51 HA GLU 51 23.655 0.611 -25.615 387 HB2 GLU 51 2HB GLU 51 23.775 1.242 -22.656 388 HB3 GLU 51 3HB GLU 51 25.112 1.417 -23.779 389 HG2 GLU 51 2HG GLU 51 23.968 3.177 -24.955 390 HG3 GLU 51 3HG GLU 51 22.518 2.936 -23.977 391 H ARG 52 H ARG 52 22.883 -1.062 -22.570 392 HA ARG 52 HA ARG 52 25.119 -2.779 -22.493 393 HB2 ARG 52 2HB ARG 52 23.463 -2.273 -20.626 394 HB3 ARG 52 3HB ARG 52 22.371 -3.417 -21.393 395 HG2 ARG 52 2HG ARG 52 24.076 -5.185 -21.112 396 HG3 ARG 52 3HG ARG 52 25.103 -4.023 -20.268 397 HD2 ARG 52 2HD ARG 52 23.183 -3.699 -18.647 398 HD3 ARG 52 3HD ARG 52 22.413 -5.089 -19.410 399 HE ARG 52 HE ARG 52 25.047 -5.245 -18.093 400 HH11 ARG 52 1HH1 ARG 52 21.938 -6.566 -18.765 401 HH12 ARG 52 2HH1 ARG 52 22.174 -7.923 -17.720 402 HH21 ARG 52 1HH2 ARG 52 25.329 -7.001 -16.765 403 HH22 ARG 52 2HH2 ARG 52 24.065 -8.170 -16.613 404 H LEU 53 H LEU 53 22.142 -2.924 -24.284 405 HA LEU 53 HA LEU 53 22.637 -5.668 -25.194 406 HB2 LEU 53 2HB LEU 53 20.362 -3.764 -25.789 407 HB3 LEU 53 3HB LEU 53 20.451 -5.431 -26.332 408 HG LEU 53 HG LEU 53 20.294 -4.542 -23.441 409 HD11 LEU 53 1HD1 LEU 53 18.018 -5.493 -23.523 410 HD12 LEU 53 2HD1 LEU 53 18.197 -5.734 -25.262 411 HD13 LEU 53 3HD1 LEU 53 18.208 -4.102 -24.590 412 HD21 LEU 53 3HD2 LEU 53 19.941 -6.916 -22.958 413 HD22 LEU 53 1HD2 LEU 53 21.513 -6.647 -23.710 414 HD23 LEU 53 2HD2 LEU 53 20.181 -7.306 -24.661 415 H ASP 54 H ASP 54 23.967 -2.875 -26.010 416 HA ASP 54 HA ASP 54 25.067 -2.050 -27.811 417 HB2 ASP 54 2HB ASP 54 25.745 -4.397 -28.194 418 HB3 ASP 54 3HB ASP 54 24.302 -4.648 -29.170 419 H ARG 55 H ARG 55 21.922 -2.155 -27.552 420 HA ARG 55 HA ARG 55 21.073 -1.495 -30.235 421 HB2 ARG 55 2HB ARG 55 19.598 -1.189 -27.605 422 HB3 ARG 55 3HB ARG 55 18.885 -1.098 -29.209 423 HG2 ARG 55 2HG ARG 55 20.157 -3.541 -27.979 424 HG3 ARG 55 3HG ARG 55 18.426 -3.244 -28.146 425 HD2 ARG 55 2HD ARG 55 20.426 -3.571 -30.385 426 HD3 ARG 55 3HD ARG 55 19.191 -4.734 -29.901 427 HE ARG 55 HE ARG 55 18.438 -2.062 -30.876 428 HH11 ARG 55 1HH1 ARG 55 18.317 -5.485 -31.157 429 HH12 ARG 55 2HH1 ARG 55 17.097 -5.452 -32.380 430 HH21 ARG 55 1HH2 ARG 55 16.872 -2.014 -32.416 431 HH22 ARG 55 2HH2 ARG 55 16.283 -3.496 -33.090 432 H THR 56 H THR 56 22.998 0.196 -30.035 433 HA THR 56 HA THR 56 22.783 2.558 -28.590 434 HB THR 56 HB THR 56 23.973 2.186 -31.350 435 HG1 THR 56 HG1 THR 56 25.827 2.433 -29.490 436 HG21 THR 56 3HG2 THR 56 25.331 4.179 -30.802 437 HG22 THR 56 1HG2 THR 56 24.380 4.408 -29.335 438 HG23 THR 56 2HG2 THR 56 23.613 4.555 -30.917 439 H ASP 57 H ASP 57 21.590 1.951 -31.913 440 HA ASP 57 HA ASP 57 20.492 4.454 -32.432 441 HB2 ASP 57 2HB ASP 57 19.410 1.771 -33.338 442 HB3 ASP 57 3HB ASP 57 19.100 3.327 -34.103 443 H ASP 58 H ASP 58 18.877 1.604 -31.017 444 HA ASP 58 HA ASP 58 16.368 2.772 -30.573 445 HB2 ASP 58 2HB ASP 58 17.720 0.571 -28.990 446 HB3 ASP 58 3HB ASP 58 15.992 0.923 -28.999 447 H ALA 59 H ALA 59 19.265 2.685 -28.526 448 HA ALA 59 HA ALA 59 18.181 3.859 -26.215 449 HB1 ALA 59 3HB ALA 59 21.003 4.094 -27.277 450 HB2 ALA 59 1HB ALA 59 20.386 2.787 -26.265 451 HB3 ALA 59 2HB ALA 59 20.486 4.428 -25.623 452 H ILE 60 H ILE 60 19.983 5.422 -28.876 453 HA ILE 60 HA ILE 60 19.775 8.074 -28.100 454 HB ILE 60 HB ILE 60 19.674 6.993 -30.929 455 HG12 ILE 60 2HG1 ILE 60 22.084 7.887 -29.322 456 HG13 ILE 60 3HG1 ILE 60 21.618 6.205 -29.547 457 HG21 ILE 60 1HG2 ILE 60 19.015 9.347 -30.812 458 HG22 ILE 60 2HG2 ILE 60 20.577 9.159 -31.610 459 HG23 ILE 60 3HG2 ILE 60 20.503 9.726 -29.941 460 HD11 ILE 60 3HD1 ILE 60 21.928 6.448 -31.959 461 HD12 ILE 60 1HD1 ILE 60 23.399 6.826 -31.060 462 HD13 ILE 60 2HD1 ILE 60 22.410 8.128 -31.721 463 H ASP 61 H ASP 61 17.544 6.240 -30.181 464 HA ASP 61 HA ASP 61 15.669 8.235 -30.687 465 HB2 ASP 61 2HB ASP 61 15.864 5.944 -31.750 466 HB3 ASP 61 3HB ASP 61 15.056 5.294 -30.328 467 H THR 62 H THR 62 15.765 5.864 -28.035 468 HA THR 62 HA THR 62 13.388 6.637 -26.737 469 HB THR 62 HB THR 62 15.889 5.444 -25.505 470 HG1 THR 62 HG1 THR 62 15.225 3.874 -26.804 471 HG21 THR 62 3HG2 THR 62 14.373 4.623 -23.734 472 HG22 THR 62 1HG2 THR 62 13.047 5.539 -24.456 473 HG23 THR 62 2HG2 THR 62 14.439 6.385 -23.777 474 H TYR 63 H TYR 63 16.719 7.833 -26.397 475 HA TYR 63 HA TYR 63 16.226 9.597 -24.244 476 HB2 TYR 63 2HB TYR 63 18.323 9.710 -26.425 477 HB3 TYR 63 3HB TYR 63 18.296 10.796 -25.039 478 HD1 TYR 63 HD1 TYR 63 17.750 9.169 -22.763 479 HD2 TYR 63 HD2 TYR 63 20.063 8.184 -26.202 480 HE1 TYR 63 HE1 TYR 63 19.015 7.532 -21.440 481 HE2 TYR 63 HE2 TYR 63 21.331 6.542 -24.884 482 HH TYR 63 HH TYR 63 21.870 6.000 -22.632 483 H ALA 64 H ALA 64 15.757 9.953 -27.718 484 HA ALA 64 HA ALA 64 15.293 12.719 -27.844 485 HB1 ALA 64 3HB ALA 64 13.985 10.549 -29.489 486 HB2 ALA 64 1HB ALA 64 15.542 11.303 -29.832 487 HB3 ALA 64 2HB ALA 64 14.064 12.262 -29.903 488 H GLN 65 H GLN 65 12.924 10.066 -27.398 489 HA GLN 65 HA GLN 65 10.667 11.602 -26.820 490 HB2 GLN 65 2HB GLN 65 11.560 8.879 -25.882 491 HB3 GLN 65 3HB GLN 65 10.045 9.575 -25.322 492 HG2 GLN 65 2HG GLN 65 10.759 9.116 -28.214 493 HG3 GLN 65 3HG GLN 65 9.783 8.028 -27.229 494 HE21 GLN 65 1HE2 GLN 65 8.451 10.224 -25.824 495 HE22 GLN 65 2HE2 GLN 65 7.329 10.896 -26.944 496 H GLY 66 H GLY 66 13.252 10.495 -24.659 497 HA2 GLY 66 2HA GLY 66 12.263 11.537 -22.245 498 HA3 GLY 66 3HA GLY 66 13.958 11.249 -22.608 499 H ILE 67 H ILE 67 14.242 13.067 -24.758 500 HA ILE 67 HA ILE 67 14.937 15.424 -23.457 501 HB ILE 67 HB ILE 67 14.431 14.828 -26.374 502 HG12 ILE 67 2HG1 ILE 67 16.971 15.359 -24.799 503 HG13 ILE 67 3HG1 ILE 67 16.393 13.777 -25.308 504 HG21 ILE 67 1HG2 ILE 67 15.465 17.429 -25.238 505 HG22 ILE 67 2HG2 ILE 67 13.944 17.192 -26.099 506 HG23 ILE 67 3HG2 ILE 67 15.479 16.984 -26.942 507 HD11 ILE 67 3HD1 ILE 67 18.173 14.554 -26.750 508 HD12 ILE 67 1HD1 ILE 67 17.263 16.016 -27.124 509 HD13 ILE 67 2HD1 ILE 67 16.660 14.445 -27.651 510 H GLU 68 H GLU 68 12.028 14.729 -25.380 511 HA GLU 68 HA GLU 68 10.896 17.297 -25.285 512 HB2 GLU 68 2HB GLU 68 9.405 14.666 -25.439 513 HB3 GLU 68 3HB GLU 68 8.830 16.236 -25.983 514 HG2 GLU 68 2HG GLU 68 10.660 16.278 -27.657 515 HG3 GLU 68 3HG GLU 68 11.108 14.650 -27.156 516 H VAL 69 H VAL 69 10.145 14.452 -23.246 517 HA VAL 69 HA VAL 69 8.312 15.897 -21.602 518 HB VAL 69 HB VAL 69 8.328 13.912 -20.137 519 HG11 VAL 69 1HG1 VAL 69 6.864 13.965 -22.083 520 HG12 VAL 69 2HG1 VAL 69 7.436 12.324 -21.785 521 HG13 VAL 69 3HG1 VAL 69 8.142 13.281 -23.088 522 HG21 VAL 69 3HG2 VAL 69 9.653 11.940 -20.748 523 HG22 VAL 69 1HG2 VAL 69 10.690 13.302 -20.321 524 HG23 VAL 69 2HG2 VAL 69 10.456 12.866 -22.015 525 H ALA 70 H ALA 70 11.754 15.157 -21.283 526 HA ALA 70 HA ALA 70 12.017 15.846 -18.546 527 HB1 ALA 70 3HB ALA 70 14.408 15.891 -18.945 528 HB2 ALA 70 1HB ALA 70 14.141 15.943 -20.689 529 HB3 ALA 70 2HB ALA 70 13.682 14.510 -19.770 530 H ARG 71 H ARG 71 12.519 17.752 -21.516 531 HA ARG 71 HA ARG 71 13.507 20.060 -20.235 532 HB2 ARG 71 2HB ARG 71 13.058 21.234 -22.332 533 HB3 ARG 71 3HB ARG 71 13.808 19.674 -22.629 534 HG2 ARG 71 2HG ARG 71 11.537 18.755 -23.122 535 HG3 ARG 71 3HG ARG 71 10.903 20.395 -22.993 536 HD2 ARG 71 2HD ARG 71 12.990 19.439 -24.956 537 HD3 ARG 71 3HD ARG 71 11.299 19.773 -25.321 538 HE ARG 71 HE ARG 71 12.594 22.040 -24.185 539 HH11 ARG 71 1HH1 ARG 71 12.123 20.303 -27.133 540 HH12 ARG 71 2HH1 ARG 71 12.564 21.658 -28.117 541 HH21 ARG 71 1HH2 ARG 71 13.148 23.756 -25.470 542 HH22 ARG 71 2HH2 ARG 71 13.122 23.580 -27.191 543 H GLU 72 H GLU 72 10.156 19.246 -21.227 544 HA GLU 72 HA GLU 72 9.211 21.773 -20.125 545 HB2 GLU 72 2HB GLU 72 7.776 19.532 -21.544 546 HB3 GLU 72 3HB GLU 72 6.962 20.956 -20.909 547 HG2 GLU 72 2HG GLU 72 8.517 22.340 -22.335 548 HG3 GLU 72 3HG GLU 72 9.017 20.831 -23.099 549 H GLU 73 H GLU 73 8.599 18.304 -19.440 550 HA GLU 73 HA GLU 73 6.885 18.982 -17.214 551 HB2 GLU 73 2HB GLU 73 7.935 16.258 -18.007 552 HB3 GLU 73 3HB GLU 73 6.576 16.595 -16.942 553 HG2 GLU 73 2HG GLU 73 6.745 17.100 -19.906 554 HG3 GLU 73 3HG GLU 73 5.728 15.924 -19.076 555 H GLY 74 H GLY 74 10.099 17.470 -17.561 556 HA2 GLY 74 2HA GLY 74 10.501 17.456 -14.676 557 HA3 GLY 74 3HA GLY 74 11.634 16.887 -15.890 558 H THR 75 H THR 75 13.388 18.090 -16.227 559 HA THR 75 HA THR 75 13.350 20.972 -16.074 560 HB THR 75 HB THR 75 13.654 20.621 -13.720 561 HG1 THR 75 HG1 THR 75 15.391 21.888 -13.545 562 HG21 THR 75 3HG2 THR 75 14.356 18.285 -13.731 563 HG22 THR 75 1HG2 THR 75 15.495 19.264 -12.806 564 HG23 THR 75 2HG2 THR 75 15.909 18.737 -14.436 565 H GLN 76 H GLN 76 15.599 21.895 -16.513 566 HA GLN 76 HA GLN 76 16.572 20.682 -18.884 567 HB2 GLN 76 2HB GLN 76 16.613 23.145 -18.394 568 HB3 GLN 76 3HB GLN 76 17.941 22.850 -17.276 569 HG2 GLN 76 2HG GLN 76 19.242 21.887 -19.179 570 HG3 GLN 76 3HG GLN 76 17.937 22.375 -20.257 571 HE21 GLN 76 1HE2 GLN 76 20.707 23.183 -20.270 572 HE22 GLN 76 2HE2 GLN 76 20.716 24.902 -20.103 573 H LYS 77 H LYS 77 17.515 20.360 -15.558 574 HA LYS 77 HA LYS 77 20.169 19.480 -15.867 575 HB2 LYS 77 2HB LYS 77 19.262 20.057 -13.691 576 HB3 LYS 77 3HB LYS 77 18.100 18.744 -13.788 577 HG2 LYS 77 2HG LYS 77 19.889 17.107 -13.680 578 HG3 LYS 77 3HG LYS 77 21.095 18.396 -13.674 579 HD2 LYS 77 2HD LYS 77 20.719 17.543 -11.415 580 HD3 LYS 77 3HD LYS 77 20.203 19.224 -11.546 581 HE2 LYS 77 2HE LYS 77 17.861 18.410 -11.861 582 HE3 LYS 77 3HE LYS 77 18.436 16.771 -11.553 583 HZ1 LYS 77 3HZ LYS 77 17.523 17.748 -9.559 584 HZ2 LYS 77 1HZ LYS 77 18.587 19.060 -9.668 585 HZ3 LYS 77 2HZ LYS 77 19.187 17.509 -9.364 586 H ASP 78 H ASP 78 17.172 17.526 -15.605 587 HA ASP 78 HA ASP 78 18.410 15.062 -16.263 588 HB2 ASP 78 2HB ASP 78 15.518 15.946 -16.479 589 HB3 ASP 78 3HB ASP 78 16.066 14.283 -16.687 590 H LEU 79 H LEU 79 16.846 17.559 -18.206 591 HA LEU 79 HA LEU 79 16.860 16.364 -20.715 592 HB2 LEU 79 2HB LEU 79 15.823 18.509 -20.337 593 HB3 LEU 79 3HB LEU 79 17.361 19.232 -19.909 594 HG LEU 79 HG LEU 79 18.136 18.884 -22.249 595 HD11 LEU 79 1HD1 LEU 79 16.695 17.020 -22.857 596 HD12 LEU 79 2HD1 LEU 79 16.494 18.364 -23.980 597 HD13 LEU 79 3HD1 LEU 79 15.274 18.062 -22.741 598 HD21 LEU 79 3HD2 LEU 79 15.607 20.505 -21.932 599 HD22 LEU 79 1HD2 LEU 79 16.797 20.694 -23.220 600 HD23 LEU 79 2HD2 LEU 79 17.244 21.037 -21.550 601 H SER 80 H SER 80 19.479 18.206 -19.137 602 HA SER 80 HA SER 80 21.344 17.959 -21.253 603 HB2 SER 80 2HB SER 80 21.558 19.668 -19.485 604 HB3 SER 80 3HB SER 80 21.894 18.403 -18.304 605 HG SER 80 HG SER 80 23.460 19.092 -20.581 606 H GLU 81 H GLU 81 20.749 15.982 -18.372 607 HA GLU 81 HA GLU 81 22.841 14.139 -18.658 608 HB2 GLU 81 2HB GLU 81 20.043 13.827 -17.560 609 HB3 GLU 81 3HB GLU 81 21.230 12.534 -17.497 610 HG2 GLU 81 2HG GLU 81 21.606 15.257 -16.261 611 HG3 GLU 81 3HG GLU 81 21.038 13.830 -15.396 612 H LEU 82 H LEU 82 19.567 14.097 -20.064 613 HA LEU 82 HA LEU 82 19.826 11.645 -21.452 614 HB2 LEU 82 2HB LEU 82 18.046 14.034 -21.956 615 HB3 LEU 82 3HB LEU 82 17.884 12.503 -22.798 616 HG LEU 82 HG LEU 82 17.670 12.765 -19.794 617 HD11 LEU 82 1HD1 LEU 82 15.903 14.079 -20.816 618 HD12 LEU 82 2HD1 LEU 82 15.243 12.611 -20.098 619 HD13 LEU 82 3HD1 LEU 82 15.460 12.717 -21.845 620 HD21 LEU 82 3HD2 LEU 82 18.254 10.532 -20.611 621 HD22 LEU 82 1HD2 LEU 82 16.858 10.556 -21.690 622 HD23 LEU 82 2HD2 LEU 82 16.624 10.561 -19.941 623 H GLN 83 H GLN 83 20.375 15.008 -22.509 624 HA GLN 83 HA GLN 83 21.043 14.391 -25.185 625 HB2 GLN 83 2HB GLN 83 21.923 16.744 -23.490 626 HB3 GLN 83 3HB GLN 83 22.090 16.639 -25.239 627 HG2 GLN 83 2HG GLN 83 19.644 16.502 -25.451 628 HG3 GLN 83 3HG GLN 83 19.494 16.653 -23.701 629 HE21 GLN 83 1HE2 GLN 83 20.032 18.647 -22.730 630 HE22 GLN 83 2HE2 GLN 83 20.060 20.112 -23.642 631 H ASP 84 H ASP 84 23.018 14.625 -22.255 632 HA ASP 84 HA ASP 84 25.530 14.146 -23.493 633 HB2 ASP 84 2HB ASP 84 25.356 15.106 -21.247 634 HB3 ASP 84 3HB ASP 84 24.600 13.632 -20.652 635 H ALA 85 H ALA 85 23.089 12.023 -22.057 636 HA ALA 85 HA ALA 85 24.471 9.597 -22.172 637 HB1 ALA 85 3HB ALA 85 22.372 9.914 -20.943 638 HB2 ALA 85 1HB ALA 85 22.289 8.525 -22.027 639 HB3 ALA 85 2HB ALA 85 21.499 10.037 -22.469 640 H LYS 86 H LYS 86 22.198 10.968 -24.595 641 HA LYS 86 HA LYS 86 22.680 8.926 -26.505 642 HB2 LYS 86 2HB LYS 86 21.604 10.428 -28.138 643 HB3 LYS 86 3HB LYS 86 20.671 10.282 -26.655 644 HG2 LYS 86 2HG LYS 86 21.500 12.451 -25.905 645 HG3 LYS 86 3HG LYS 86 22.473 12.594 -27.370 646 HD2 LYS 86 2HD LYS 86 19.464 12.310 -27.360 647 HD3 LYS 86 3HD LYS 86 20.309 13.856 -27.424 648 HE2 LYS 86 2HE LYS 86 20.620 11.631 -29.444 649 HE3 LYS 86 3HE LYS 86 19.587 13.043 -29.655 650 HZ1 LYS 86 3HZ LYS 86 21.682 14.394 -29.318 651 HZ2 LYS 86 1HZ LYS 86 21.573 13.529 -30.767 652 HZ3 LYS 86 2HZ LYS 86 22.544 12.950 -29.515 653 H LEU 87 H LEU 87 24.272 12.002 -25.850 654 HA LEU 87 HA LEU 87 25.794 12.234 -28.188 655 HB2 LEU 87 2HB LEU 87 25.588 14.028 -26.542 656 HB3 LEU 87 3HB LEU 87 26.493 13.084 -25.374 657 HG LEU 87 HG LEU 87 28.497 13.230 -26.806 658 HD11 LEU 87 1HD1 LEU 87 26.805 15.013 -28.562 659 HD12 LEU 87 2HD1 LEU 87 27.404 13.407 -28.980 660 HD13 LEU 87 3HD1 LEU 87 28.539 14.733 -28.728 661 HD21 LEU 87 3HD2 LEU 87 28.975 15.590 -26.435 662 HD22 LEU 87 1HD2 LEU 87 28.125 14.898 -25.054 663 HD23 LEU 87 2HD2 LEU 87 27.257 15.916 -26.204 664 H LYS 88 H LYS 88 26.754 10.720 -25.069 665 HA LYS 88 HA LYS 88 29.207 9.724 -26.127 666 HB2 LYS 88 2HB LYS 88 29.317 8.358 -24.041 667 HB3 LYS 88 3HB LYS 88 29.077 10.072 -23.766 668 HG2 LYS 88 2HG LYS 88 27.639 9.150 -22.232 669 HG3 LYS 88 3HG LYS 88 26.557 9.436 -23.593 670 HD2 LYS 88 2HD LYS 88 26.686 7.099 -24.236 671 HD3 LYS 88 3HD LYS 88 27.896 6.791 -22.987 672 HE2 LYS 88 2HE LYS 88 25.051 7.687 -22.489 673 HE3 LYS 88 3HE LYS 88 25.645 6.036 -22.319 674 HZ1 LYS 88 3HZ LYS 88 27.016 6.667 -20.520 675 HZ2 LYS 88 1HZ LYS 88 25.502 7.352 -20.215 676 HZ3 LYS 88 2HZ LYS 88 26.763 8.318 -20.789 677 H ALA 89 H ALA 89 25.947 8.438 -26.011 678 HA ALA 89 HA ALA 89 26.525 5.789 -26.804 679 HB1 ALA 89 3HB ALA 89 24.071 7.430 -27.448 680 HB2 ALA 89 1HB ALA 89 24.317 6.488 -25.977 681 HB3 ALA 89 2HB ALA 89 24.203 5.673 -27.537 682 H GLU 90 H GLU 90 25.907 8.736 -28.688 683 HA GLU 90 HA GLU 90 26.251 7.547 -31.253 684 HB2 GLU 90 2HB GLU 90 26.509 10.438 -30.368 685 HB3 GLU 90 3HB GLU 90 26.453 9.900 -32.042 686 HG2 GLU 90 2HG GLU 90 24.207 9.080 -31.763 687 HG3 GLU 90 3HG GLU 90 24.250 9.431 -30.038 688 H GLY 91 H GLY 91 28.434 8.701 -28.828 689 HA2 GLY 91 2HA GLY 91 30.723 8.811 -30.637 690 HA3 GLY 91 3HA GLY 91 30.723 9.200 -28.926 691 H LEU 92 H LEU 92 29.154 6.271 -29.255 692 HA LEU 92 HA LEU 92 31.206 4.744 -28.070 693 HB2 LEU 92 2HB LEU 92 28.741 3.848 -29.576 694 HB3 LEU 92 3HB LEU 92 29.788 2.762 -28.681 695 HG LEU 92 HG LEU 92 28.198 5.040 -27.482 696 HD11 LEU 92 1HD1 LEU 92 26.853 3.268 -26.449 697 HD12 LEU 92 2HD1 LEU 92 27.758 2.056 -27.357 698 HD13 LEU 92 3HD1 LEU 92 26.754 3.230 -28.209 699 HD21 LEU 92 3HD2 LEU 92 30.260 4.648 -26.249 700 HD22 LEU 92 1HD2 LEU 92 29.901 2.923 -26.161 701 HD23 LEU 92 2HD2 LEU 92 28.872 4.084 -25.322 702 H GLU 93 H GLU 93 30.179 5.034 -31.438 703 HA GLU 93 HA GLU 93 32.772 4.362 -32.420 704 HB2 GLU 93 2HB GLU 93 32.144 2.352 -33.696 705 HB3 GLU 93 3HB GLU 93 32.030 2.092 -31.962 706 HG2 GLU 93 2HG GLU 93 29.598 2.386 -32.081 707 HG3 GLU 93 3HG GLU 93 29.719 2.629 -33.824 708 H HIS 94 H HIS 94 32.838 4.388 -34.852 709 HA HIS 94 HA HIS 94 30.795 6.279 -35.841 710 HB2 HIS 94 2HB HIS 94 33.691 5.959 -36.660 711 HB3 HIS 94 3HB HIS 94 32.550 7.054 -37.435 712 HD1 HIS 94 HD1 HIS 94 34.817 6.759 -34.549 713 HD2 HIS 94 HD2 HIS 94 31.703 9.236 -35.746 714 HE1 HIS 94 HE1 HIS 94 34.959 8.778 -33.068 715 HE2 HIS 94 HE2 HIS 94 33.183 10.332 -33.930 716 H HIS 95 H HIS 95 29.311 5.026 -36.851 717 HA HIS 95 HA HIS 95 30.024 2.902 -38.670 718 HB2 HIS 95 2HB HIS 95 27.365 4.232 -38.084 719 HB3 HIS 95 3HB HIS 95 27.564 2.846 -39.149 720 HD1 HIS 95 HD1 HIS 95 26.481 3.514 -35.895 721 HD2 HIS 95 HD2 HIS 95 29.064 0.687 -37.513 722 HE1 HIS 95 HE1 HIS 95 26.607 1.667 -34.200 723 HE2 HIS 95 HE2 HIS 95 28.309 0.062 -35.123 724 H HIS 96 H HIS 96 30.256 3.004 -40.845 725 HA HIS 96 HA HIS 96 30.112 5.660 -42.091 726 HB2 HIS 96 2HB HIS 96 32.225 4.321 -42.225 727 HB3 HIS 96 3HB HIS 96 31.360 3.124 -43.183 728 HD1 HIS 96 HD1 HIS 96 30.652 3.846 -45.616 729 HD2 HIS 96 HD2 HIS 96 33.016 6.607 -43.593 730 HE1 HIS 96 HE1 HIS 96 31.441 5.465 -47.360 731 HE2 HIS 96 HE2 HIS 96 33.000 7.015 -46.146 732 H HIS 97 H HIS 97 28.096 6.048 -42.886 733 HA HIS 97 HA HIS 97 27.161 4.298 -45.017 734 HB2 HIS 97 2HB HIS 97 24.827 4.256 -44.120 735 HB3 HIS 97 3HB HIS 97 25.980 3.322 -43.180 736 HD1 HIS 97 HD1 HIS 97 26.121 3.828 -40.743 737 HD2 HIS 97 HD2 HIS 97 24.057 6.762 -42.836 738 HE1 HIS 97 HE1 HIS 97 25.132 5.325 -38.995 739 HE2 HIS 97 HE2 HIS 97 23.713 6.951 -40.279 740 H HIS 98 H HIS 98 25.330 5.250 -46.244 741 HA HIS 98 HA HIS 98 25.927 7.814 -47.138 742 HB2 HIS 98 2HB HIS 98 24.706 6.229 -48.511 743 HB3 HIS 98 3HB HIS 98 23.352 6.238 -47.387 744 HD1 HIS 98 HD1 HIS 98 21.726 8.226 -47.501 745 HD2 HIS 98 HD2 HIS 98 24.846 8.462 -50.238 746 HE1 HIS 98 HE1 HIS 98 21.076 10.040 -49.104 747 HE2 HIS 98 HE2 HIS 98 22.886 10.045 -50.846 748 H HIS 99 H HIS 99 25.435 9.811 -46.494 749 HA HIS 99 HA HIS 99 23.070 10.297 -44.840 750 HB2 HIS 99 2HB HIS 99 24.479 11.828 -43.348 751 HB3 HIS 99 3HB HIS 99 24.641 10.096 -43.099 752 HD1 HIS 99 HD1 HIS 99 26.918 9.026 -43.653 753 HD2 HIS 99 HD2 HIS 99 26.781 13.118 -44.353 754 HE1 HIS 99 HE1 HIS 99 29.302 9.730 -43.979 755 HE2 HIS 99 HE2 HIS 99 29.206 12.229 -44.232 Start of MODEL 17 1 H1 GLU 1 1H GLU 1 2.078 1.463 -0.446 2 H2 GLU 1 2H GLU 1 0.456 1.873 -0.682 3 H3 GLU 1 3H GLU 1 1.635 3.083 -0.658 4 HA GLU 1 HA GLU 1 0.889 2.612 -2.904 5 HB2 GLU 1 2HB GLU 1 3.065 2.393 -3.944 6 HB3 GLU 1 3HB GLU 1 3.216 3.385 -2.504 7 HG2 GLU 1 2HG GLU 1 3.963 0.467 -2.698 8 HG3 GLU 1 3HG GLU 1 5.088 1.821 -2.778 9 H ASP 2 H ASP 2 0.745 1.169 -4.669 10 HA ASP 2 HA ASP 2 0.701 -1.689 -3.920 11 HB2 ASP 2 2HB ASP 2 -1.166 -0.167 -5.767 12 HB3 ASP 2 3HB ASP 2 -1.221 -1.907 -5.489 13 HA PRO 3 HA PRO 3 3.228 -2.837 -7.420 14 HB2 PRO 3 2HB PRO 3 0.954 -4.450 -8.487 15 HB3 PRO 3 3HB PRO 3 2.622 -4.933 -8.159 16 HG2 PRO 3 2HG PRO 3 0.658 -5.668 -6.520 17 HG3 PRO 3 3HG PRO 3 2.240 -5.189 -5.878 18 HD2 PRO 3 2HD PRO 3 -0.329 -3.654 -5.936 19 HD3 PRO 3 3HD PRO 3 0.926 -3.706 -4.680 20 H GLU 4 H GLU 4 0.092 -1.468 -7.969 21 HA GLU 4 HA GLU 4 0.347 -1.227 -10.831 22 HB2 GLU 4 2HB GLU 4 -1.655 0.036 -8.941 23 HB3 GLU 4 3HB GLU 4 -1.782 0.000 -10.696 24 HG2 GLU 4 2HG GLU 4 -1.878 -2.462 -10.619 25 HG3 GLU 4 3HG GLU 4 -1.811 -2.395 -8.860 26 H ASP 5 H ASP 5 1.187 0.755 -8.089 27 HA ASP 5 HA ASP 5 1.178 3.297 -9.290 28 HB2 ASP 5 2HB ASP 5 2.856 2.187 -7.031 29 HB3 ASP 5 3HB ASP 5 2.838 3.889 -7.486 30 HA PRO 6 HA PRO 6 4.450 3.205 -12.290 31 HB2 PRO 6 2HB PRO 6 5.328 5.841 -11.937 32 HB3 PRO 6 3HB PRO 6 4.035 5.314 -13.019 33 HG2 PRO 6 2HG PRO 6 3.855 6.460 -10.264 34 HG3 PRO 6 3HG PRO 6 2.804 6.730 -11.666 35 HD2 PRO 6 2HD PRO 6 2.042 5.134 -9.658 36 HD3 PRO 6 3HD PRO 6 1.649 4.727 -11.342 37 H PHE 7 H PHE 7 5.235 4.770 -9.168 38 HA PHE 7 HA PHE 7 8.026 4.450 -9.325 39 HB2 PHE 7 2HB PHE 7 6.911 5.927 -7.689 40 HB3 PHE 7 3HB PHE 7 6.280 4.516 -6.847 41 HD1 PHE 7 HD1 PHE 7 9.449 6.183 -7.846 42 HD2 PHE 7 HD2 PHE 7 7.543 3.486 -5.151 43 HE1 PHE 7 HE1 PHE 7 11.492 6.107 -6.477 44 HE2 PHE 7 HE2 PHE 7 9.586 3.409 -3.781 45 HZ PHE 7 HZ PHE 7 11.564 4.719 -4.443 46 H THR 8 H THR 8 5.520 2.298 -7.995 47 HA THR 8 HA THR 8 7.262 0.389 -6.862 48 HB THR 8 HB THR 8 4.481 -0.134 -7.946 49 HG1 THR 8 HG1 THR 8 3.713 0.586 -6.013 50 HG21 THR 8 3HG2 THR 8 6.054 -1.530 -5.768 51 HG22 THR 8 1HG2 THR 8 5.744 -2.168 -7.384 52 HG23 THR 8 2HG2 THR 8 4.406 -1.911 -6.265 53 H ARG 9 H ARG 9 5.429 0.201 -9.931 54 HA ARG 9 HA ARG 9 6.612 -2.162 -10.871 55 HB2 ARG 9 2HB ARG 9 5.833 -1.332 -13.155 56 HB3 ARG 9 3HB ARG 9 4.602 -1.475 -11.905 57 HG2 ARG 9 2HG ARG 9 5.115 1.044 -11.484 58 HG3 ARG 9 3HG ARG 9 5.810 0.983 -13.101 59 HD2 ARG 9 2HD ARG 9 3.017 0.040 -12.497 60 HD3 ARG 9 3HD ARG 9 3.384 1.709 -12.913 61 HE ARG 9 HE ARG 9 4.350 0.672 -15.031 62 HH11 ARG 9 1HH1 ARG 9 1.770 -0.788 -13.298 63 HH12 ARG 9 2HH1 ARG 9 0.984 -1.359 -14.728 64 HH21 ARG 9 1HH2 ARG 9 3.305 -0.047 -16.871 65 HH22 ARG 9 2HH2 ARG 9 1.838 -0.944 -16.718 66 H TYR 10 H TYR 10 7.728 1.167 -11.079 67 HA TYR 10 HA TYR 10 9.928 0.686 -12.826 68 HB2 TYR 10 2HB TYR 10 9.127 2.944 -12.489 69 HB3 TYR 10 3HB TYR 10 9.419 2.843 -10.758 70 HD1 TYR 10 HD2 TYR 10 11.106 2.979 -14.067 71 HD2 TYR 10 HD1 TYR 10 11.543 3.388 -9.848 72 HE1 TYR 10 HE2 TYR 10 13.355 3.919 -14.394 73 HE2 TYR 10 HE1 TYR 10 13.788 4.330 -10.169 74 HH TYR 10 HH TYR 10 14.907 5.528 -12.975 75 H ALA 11 H ALA 11 9.563 0.659 -9.294 76 HA ALA 11 HA ALA 11 12.258 0.299 -8.596 77 HB1 ALA 11 3HB ALA 11 10.558 0.938 -6.972 78 HB2 ALA 11 1HB ALA 11 11.412 -0.512 -6.441 79 HB3 ALA 11 2HB ALA 11 9.793 -0.644 -7.130 80 H LEU 12 H LEU 12 9.709 -2.125 -9.199 81 HA LEU 12 HA LEU 12 11.323 -4.402 -8.738 82 HB2 LEU 12 2HB LEU 12 8.768 -3.975 -10.266 83 HB3 LEU 12 3HB LEU 12 9.565 -5.534 -10.273 84 HG LEU 12 HG LEU 12 7.812 -5.566 -8.629 85 HD11 LEU 12 1HD1 LEU 12 10.506 -5.383 -7.279 86 HD12 LEU 12 2HD1 LEU 12 9.830 -6.803 -8.076 87 HD13 LEU 12 3HD1 LEU 12 9.068 -6.164 -6.621 88 HD21 LEU 12 3HD2 LEU 12 7.777 -4.070 -6.697 89 HD22 LEU 12 1HD2 LEU 12 7.612 -3.172 -8.205 90 HD23 LEU 12 2HD2 LEU 12 9.156 -3.181 -7.350 91 H ALA 13 H ALA 13 10.826 -2.411 -11.617 92 HA ALA 13 HA ALA 13 12.110 -4.027 -13.511 93 HB1 ALA 13 3HB ALA 13 12.177 -1.008 -13.342 94 HB2 ALA 13 1HB ALA 13 10.891 -1.964 -14.077 95 HB3 ALA 13 2HB ALA 13 12.512 -1.980 -14.775 96 H GLN 14 H GLN 14 13.492 -1.639 -11.254 97 HA GLN 14 HA GLN 14 16.191 -1.951 -11.997 98 HB2 GLN 14 2HB GLN 14 15.110 -1.276 -9.249 99 HB3 GLN 14 3HB GLN 14 16.745 -0.977 -9.819 100 HG2 GLN 14 2HG GLN 14 15.778 0.548 -11.553 101 HG3 GLN 14 3HG GLN 14 14.208 0.343 -10.776 102 HE21 GLN 14 1HE2 GLN 14 15.746 2.780 -11.103 103 HE22 GLN 14 2HE2 GLN 14 16.037 3.387 -9.516 104 H GLU 15 H GLU 15 14.246 -3.644 -9.543 105 HA GLU 15 HA GLU 15 16.222 -5.261 -8.431 106 HB2 GLU 15 2HB GLU 15 13.308 -5.922 -8.909 107 HB3 GLU 15 3HB GLU 15 14.381 -6.830 -7.852 108 HG2 GLU 15 2HG GLU 15 13.533 -3.959 -7.510 109 HG3 GLU 15 3HG GLU 15 12.983 -5.340 -6.564 110 H HIS 16 H HIS 16 14.168 -5.909 -11.274 111 HA HIS 16 HA HIS 16 15.161 -8.484 -11.808 112 HB2 HIS 16 2HB HIS 16 13.815 -6.431 -13.552 113 HB3 HIS 16 3HB HIS 16 14.343 -7.982 -14.198 114 HD1 HIS 16 HD1 HIS 16 13.391 -10.101 -12.622 115 HD2 HIS 16 HD2 HIS 16 11.249 -6.543 -12.646 116 HE1 HIS 16 HE1 HIS 16 11.083 -10.705 -11.872 117 HE2 HIS 16 HE2 HIS 16 9.878 -8.517 -11.684 118 H LEU 17 H LEU 17 16.333 -5.313 -12.911 119 HA LEU 17 HA LEU 17 18.378 -6.252 -14.604 120 HB2 LEU 17 2HB LEU 17 18.228 -3.752 -12.907 121 HB3 LEU 17 3HB LEU 17 19.499 -4.051 -14.077 122 HG LEU 17 HG LEU 17 16.558 -3.817 -14.744 123 HD11 LEU 17 1HD1 LEU 17 17.436 -1.672 -14.027 124 HD12 LEU 17 2HD1 LEU 17 17.181 -1.669 -15.772 125 HD13 LEU 17 3HD1 LEU 17 18.813 -1.843 -15.120 126 HD21 LEU 17 3HD2 LEU 17 17.759 -5.266 -16.294 127 HD22 LEU 17 1HD2 LEU 17 18.981 -4.017 -16.539 128 HD23 LEU 17 2HD2 LEU 17 17.321 -3.745 -17.070 129 H LYS 18 H LYS 18 18.233 -5.882 -11.115 130 HA LYS 18 HA LYS 18 21.004 -6.397 -10.612 131 HB2 LYS 18 2HB LYS 18 18.634 -6.714 -8.752 132 HB3 LYS 18 3HB LYS 18 20.325 -6.633 -8.273 133 HG2 LYS 18 2HG LYS 18 20.477 -4.343 -8.977 134 HG3 LYS 18 3HG LYS 18 18.853 -4.403 -9.667 135 HD2 LYS 18 2HD LYS 18 17.935 -4.820 -7.406 136 HD3 LYS 18 3HD LYS 18 19.565 -4.683 -6.740 137 HE2 LYS 18 2HE LYS 18 19.702 -2.372 -7.509 138 HE3 LYS 18 3HE LYS 18 18.100 -2.501 -8.239 139 HZ1 LYS 18 3HZ LYS 18 17.985 -1.405 -6.110 140 HZ2 LYS 18 1HZ LYS 18 18.725 -2.716 -5.346 141 HZ3 LYS 18 2HZ LYS 18 17.186 -2.892 -6.023 142 H HIS 19 H HIS 19 18.173 -8.415 -11.029 143 HA HIS 19 HA HIS 19 19.700 -10.798 -10.175 144 HB2 HIS 19 2HB HIS 19 16.699 -10.443 -10.380 145 HB3 HIS 19 3HB HIS 19 17.524 -11.893 -9.820 146 HD1 HIS 19 HD1 HIS 19 19.069 -11.446 -7.573 147 HD2 HIS 19 HD2 HIS 19 16.010 -8.748 -8.379 148 HE1 HIS 19 HE1 HIS 19 18.619 -10.267 -5.405 149 HE2 HIS 19 HE2 HIS 19 16.630 -8.803 -5.872 150 H ASP 20 H ASP 20 20.345 -10.002 -12.717 151 HA ASP 20 HA ASP 20 20.770 -11.009 -14.715 152 HB2 ASP 20 2HB ASP 20 20.958 -13.066 -13.474 153 HB3 ASP 20 3HB ASP 20 19.211 -13.274 -13.452 154 H ASN 21 H ASN 21 17.591 -10.220 -13.859 155 HA ASN 21 HA ASN 21 16.329 -11.276 -16.272 156 HB2 ASN 21 2HB ASN 21 15.202 -9.757 -13.910 157 HB3 ASN 21 3HB ASN 21 14.240 -10.352 -15.253 158 HD21 ASN 21 1HD2 ASN 21 15.715 -12.829 -15.531 159 HD22 ASN 21 2HD2 ASN 21 15.276 -13.802 -14.177 160 H ALA 22 H ALA 22 18.187 -9.471 -17.047 161 HA ALA 22 HA ALA 22 17.460 -6.781 -17.224 162 HB1 ALA 22 3HB ALA 22 19.000 -6.632 -19.103 163 HB2 ALA 22 1HB ALA 22 18.997 -8.389 -19.267 164 HB3 ALA 22 2HB ALA 22 19.682 -7.638 -17.825 165 H SER 23 H SER 23 16.686 -9.458 -19.431 166 HA SER 23 HA SER 23 15.301 -7.917 -21.365 167 HB2 SER 23 2HB SER 23 16.187 -10.190 -21.789 168 HB3 SER 23 3HB SER 23 14.970 -10.856 -20.704 169 HG SER 23 HG SER 23 13.428 -9.726 -22.223 170 H ARG 24 H ARG 24 14.240 -9.502 -18.396 171 HA ARG 24 HA ARG 24 11.443 -9.084 -18.831 172 HB2 ARG 24 2HB ARG 24 13.050 -9.708 -16.356 173 HB3 ARG 24 3HB ARG 24 11.304 -9.508 -16.318 174 HG2 ARG 24 2HG ARG 24 12.803 -11.568 -17.943 175 HG3 ARG 24 3HG ARG 24 11.949 -11.866 -16.424 176 HD2 ARG 24 2HD ARG 24 9.855 -11.094 -17.509 177 HD3 ARG 24 3HD ARG 24 10.734 -10.938 -19.028 178 HE ARG 24 HE ARG 24 11.180 -13.505 -18.384 179 HH11 ARG 24 1HH1 ARG 24 8.300 -11.622 -18.508 180 HH12 ARG 24 2HH1 ARG 24 7.297 -12.982 -18.878 181 HH21 ARG 24 1HH2 ARG 24 9.875 -15.247 -18.880 182 HH22 ARG 24 2HH2 ARG 24 8.178 -15.001 -19.098 183 H ALA 25 H ALA 25 13.975 -7.296 -17.116 184 HA ALA 25 HA ALA 25 12.355 -5.212 -16.114 185 HB1 ALA 25 3HB ALA 25 15.266 -5.096 -16.926 186 HB2 ALA 25 1HB ALA 25 14.657 -5.608 -15.351 187 HB3 ALA 25 2HB ALA 25 14.426 -3.944 -15.886 188 H LEU 26 H LEU 26 14.094 -5.606 -19.178 189 HA LEU 26 HA LEU 26 13.617 -3.193 -20.425 190 HB2 LEU 26 2HB LEU 26 14.969 -4.978 -21.401 191 HB3 LEU 26 3HB LEU 26 13.544 -5.975 -21.612 192 HG LEU 26 HG LEU 26 12.662 -4.325 -23.250 193 HD11 LEU 26 1HD1 LEU 26 13.816 -2.337 -22.420 194 HD12 LEU 26 2HD1 LEU 26 14.131 -2.592 -24.135 195 HD13 LEU 26 3HD1 LEU 26 15.361 -3.009 -22.941 196 HD21 LEU 26 3HD2 LEU 26 13.899 -6.292 -24.006 197 HD22 LEU 26 1HD2 LEU 26 15.415 -5.397 -23.880 198 HD23 LEU 26 2HD2 LEU 26 14.197 -4.911 -25.062 199 H ALA 27 H ALA 27 11.504 -6.063 -20.447 200 HA ALA 27 HA ALA 27 9.353 -4.976 -21.859 201 HB1 ALA 27 3HB ALA 27 9.602 -7.369 -21.400 202 HB2 ALA 27 1HB ALA 27 8.017 -6.778 -20.900 203 HB3 ALA 27 2HB ALA 27 9.268 -7.079 -19.692 204 H LEU 28 H LEU 28 10.113 -4.827 -18.395 205 HA LEU 28 HA LEU 28 7.674 -3.610 -17.590 206 HB2 LEU 28 2HB LEU 28 10.397 -3.625 -16.286 207 HB3 LEU 28 3HB LEU 28 8.959 -2.958 -15.535 208 HG LEU 28 HG LEU 28 9.351 -5.855 -16.321 209 HD11 LEU 28 1HD1 LEU 28 10.701 -5.237 -14.395 210 HD12 LEU 28 2HD1 LEU 28 9.360 -6.268 -13.904 211 HD13 LEU 28 3HD1 LEU 28 9.288 -4.532 -13.609 212 HD21 LEU 28 3HD2 LEU 28 7.234 -6.251 -15.150 213 HD22 LEU 28 1HD2 LEU 28 7.011 -5.176 -16.529 214 HD23 LEU 28 2HD2 LEU 28 7.048 -4.516 -14.893 215 H PHE 29 H PHE 29 10.840 -2.230 -18.499 216 HA PHE 29 HA PHE 29 10.173 0.473 -18.052 217 HB2 PHE 29 2HB PHE 29 12.145 -0.790 -19.965 218 HB3 PHE 29 3HB PHE 29 11.978 0.952 -19.782 219 HD1 PHE 29 HD2 PHE 29 12.054 1.764 -17.235 220 HD2 PHE 29 HD1 PHE 29 13.805 -1.820 -18.732 221 HE1 PHE 29 HE2 PHE 29 13.606 1.726 -15.326 222 HE2 PHE 29 HE1 PHE 29 15.356 -1.862 -16.823 223 HZ PHE 29 HZ PHE 29 15.261 -0.088 -15.116 224 H GLU 30 H GLU 30 9.855 -1.529 -20.982 225 HA GLU 30 HA GLU 30 8.625 0.419 -22.612 226 HB2 GLU 30 2HB GLU 30 8.271 -2.590 -22.623 227 HB3 GLU 30 3HB GLU 30 7.787 -1.512 -23.925 228 HG2 GLU 30 2HG GLU 30 10.119 -0.875 -24.275 229 HG3 GLU 30 3HG GLU 30 10.610 -1.928 -22.951 230 H GLU 31 H GLU 31 7.281 -1.943 -20.346 231 HA GLU 31 HA GLU 31 4.550 -1.383 -20.612 232 HB2 GLU 31 2HB GLU 31 5.332 -3.308 -19.378 233 HB3 GLU 31 3HB GLU 31 6.194 -2.290 -18.240 234 HG2 GLU 31 2HG GLU 31 4.251 -3.141 -17.170 235 HG3 GLU 31 3HG GLU 31 4.018 -1.418 -17.437 236 H LEU 32 H LEU 32 7.081 0.289 -18.793 237 HA LEU 32 HA LEU 32 5.391 2.151 -17.469 238 HB2 LEU 32 2HB LEU 32 8.294 2.387 -18.279 239 HB3 LEU 32 3HB LEU 32 7.461 3.530 -17.243 240 HG LEU 32 HG LEU 32 7.972 0.618 -16.607 241 HD11 LEU 32 1HD1 LEU 32 9.176 3.128 -15.450 242 HD12 LEU 32 2HD1 LEU 32 9.994 1.971 -16.503 243 HD13 LEU 32 3HD1 LEU 32 9.472 1.480 -14.891 244 HD21 LEU 32 3HD2 LEU 32 6.666 2.784 -14.967 245 HD22 LEU 32 1HD2 LEU 32 7.100 1.176 -14.384 246 HD23 LEU 32 2HD2 LEU 32 5.880 1.357 -15.642 247 H VAL 33 H VAL 33 7.286 2.403 -20.482 248 HA VAL 33 HA VAL 33 6.673 5.040 -21.137 249 HB VAL 33 HB VAL 33 7.201 2.748 -23.044 250 HG11 VAL 33 1HG1 VAL 33 7.960 4.494 -24.615 251 HG12 VAL 33 2HG1 VAL 33 7.427 5.734 -23.479 252 HG13 VAL 33 3HG1 VAL 33 6.246 4.657 -24.228 253 HG21 VAL 33 3HG2 VAL 33 9.530 3.508 -22.991 254 HG22 VAL 33 1HG2 VAL 33 8.981 3.019 -21.389 255 HG23 VAL 33 2HG2 VAL 33 9.109 4.731 -21.793 256 H GLU 34 H GLU 34 4.838 2.080 -21.892 257 HA GLU 34 HA GLU 34 2.947 3.405 -23.574 258 HB2 GLU 34 2HB GLU 34 1.665 1.342 -23.500 259 HB3 GLU 34 3HB GLU 34 3.369 0.988 -23.743 260 HG2 GLU 34 2HG GLU 34 3.588 0.386 -21.382 261 HG3 GLU 34 3HG GLU 34 1.884 0.756 -21.130 262 H THR 35 H THR 35 3.017 2.647 -20.108 263 HA THR 35 HA THR 35 0.311 3.597 -19.680 264 HB THR 35 HB THR 35 0.789 3.322 -17.268 265 HG1 THR 35 HG1 THR 35 3.339 3.457 -18.074 266 HG21 THR 35 3HG2 THR 35 1.635 0.969 -18.970 267 HG22 THR 35 1HG2 THR 35 -0.025 1.413 -18.560 268 HG23 THR 35 2HG2 THR 35 1.088 0.887 -17.295 269 H ASP 36 H ASP 36 3.477 5.022 -19.645 270 HA ASP 36 HA ASP 36 2.371 7.650 -19.232 271 HB2 ASP 36 2HB ASP 36 2.689 6.738 -16.894 272 HB3 ASP 36 3HB ASP 36 4.417 6.669 -17.223 273 HA PRO 37 HA PRO 37 6.092 7.875 -21.889 274 HB2 PRO 37 2HB PRO 37 5.129 9.636 -23.666 275 HB3 PRO 37 3HB PRO 37 4.620 7.942 -23.690 276 HG2 PRO 37 2HG PRO 37 3.196 10.336 -22.587 277 HG3 PRO 37 3HG PRO 37 2.540 8.975 -23.515 278 HD2 PRO 37 2HD PRO 37 2.400 9.212 -20.761 279 HD3 PRO 37 3HD PRO 37 2.293 7.676 -21.644 280 H ASP 38 H ASP 38 5.180 9.657 -19.443 281 HA ASP 38 HA ASP 38 6.635 12.117 -20.183 282 HB2 ASP 38 2HB ASP 38 4.765 11.660 -17.844 283 HB3 ASP 38 3HB ASP 38 5.448 13.200 -18.363 284 H TYR 39 H TYR 39 6.579 9.425 -17.953 285 HA TYR 39 HA TYR 39 8.239 10.457 -15.938 286 HB2 TYR 39 2HB TYR 39 6.808 8.423 -15.750 287 HB3 TYR 39 3HB TYR 39 7.951 7.560 -16.772 288 HD1 TYR 39 HD1 TYR 39 8.792 9.959 -14.053 289 HD2 TYR 39 HD2 TYR 39 8.676 5.881 -15.270 290 HE1 TYR 39 HE1 TYR 39 10.045 9.326 -12.037 291 HE2 TYR 39 HE2 TYR 39 9.932 5.239 -13.259 292 HH TYR 39 HH TYR 39 10.444 7.385 -10.640 293 H VAL 40 H VAL 40 10.036 11.479 -16.647 294 HA VAL 40 HA VAL 40 11.729 10.761 -18.734 295 HB VAL 40 HB VAL 40 12.491 12.319 -16.249 296 HG11 VAL 40 1HG1 VAL 40 14.114 13.445 -17.741 297 HG12 VAL 40 2HG1 VAL 40 13.691 12.308 -19.024 298 HG13 VAL 40 3HG1 VAL 40 14.449 11.724 -17.540 299 HG21 VAL 40 3HG2 VAL 40 10.474 13.246 -17.251 300 HG22 VAL 40 1HG2 VAL 40 11.252 13.288 -18.835 301 HG23 VAL 40 2HG2 VAL 40 11.843 14.322 -17.535 302 H GLY 41 H GLY 41 11.839 9.777 -15.344 303 HA2 GLY 41 2HA GLY 41 14.390 8.691 -15.166 304 HA3 GLY 41 3HA GLY 41 12.999 8.100 -14.277 305 H THR 42 H THR 42 11.488 7.231 -16.575 306 HA THR 42 HA THR 42 12.445 4.614 -16.925 307 HB THR 42 HB THR 42 10.511 6.123 -18.713 308 HG1 THR 42 HG1 THR 42 8.950 5.444 -17.334 309 HG21 THR 42 3HG2 THR 42 9.668 3.878 -19.308 310 HG22 THR 42 1HG2 THR 42 10.969 3.150 -18.367 311 HG23 THR 42 2HG2 THR 42 11.344 4.102 -19.804 312 H TYR 43 H TYR 43 12.474 7.346 -19.229 313 HA TYR 43 HA TYR 43 13.697 6.006 -21.365 314 HB2 TYR 43 2HB TYR 43 13.799 8.954 -20.671 315 HB3 TYR 43 3HB TYR 43 14.243 8.267 -22.230 316 HD1 TYR 43 HD1 TYR 43 12.503 7.270 -23.687 317 HD2 TYR 43 HD2 TYR 43 11.498 9.273 -20.064 318 HE1 TYR 43 HE1 TYR 43 10.171 7.451 -24.438 319 HE2 TYR 43 HE2 TYR 43 9.162 9.456 -20.808 320 HH TYR 43 HH TYR 43 7.900 9.464 -22.912 321 H TYR 44 H TYR 44 15.161 7.918 -18.758 322 HA TYR 44 HA TYR 44 17.790 7.978 -19.652 323 HB2 TYR 44 2HB TYR 44 16.924 9.274 -17.740 324 HB3 TYR 44 3HB TYR 44 16.812 7.798 -16.790 325 HD1 TYR 44 HD1 TYR 44 19.281 9.900 -18.640 326 HD2 TYR 44 HD2 TYR 44 18.628 7.157 -15.448 327 HE1 TYR 44 HE1 TYR 44 21.588 10.257 -17.873 328 HE2 TYR 44 HE2 TYR 44 20.935 7.506 -14.674 329 HH TYR 44 HH TYR 44 22.924 10.036 -15.867 330 H HIS 45 H HIS 45 16.309 5.557 -17.471 331 HA HIS 45 HA HIS 45 18.672 3.917 -17.436 332 HB2 HIS 45 2HB HIS 45 15.855 3.403 -16.459 333 HB3 HIS 45 3HB HIS 45 17.194 2.279 -16.233 334 HD1 HIS 45 HD1 HIS 45 18.660 2.660 -14.244 335 HD2 HIS 45 HD2 HIS 45 16.289 5.956 -15.107 336 HE1 HIS 45 HE1 HIS 45 19.025 4.263 -12.350 337 HE2 HIS 45 HE2 HIS 45 17.677 6.297 -12.954 338 H LEU 46 H LEU 46 15.659 3.888 -19.271 339 HA LEU 46 HA LEU 46 15.902 1.283 -20.340 340 HB2 LEU 46 2HB LEU 46 13.803 2.566 -20.357 341 HB3 LEU 46 3HB LEU 46 14.500 3.706 -21.491 342 HG LEU 46 HG LEU 46 14.572 2.026 -23.231 343 HD11 LEU 46 1HD1 LEU 46 13.703 -0.233 -22.887 344 HD12 LEU 46 2HD1 LEU 46 13.504 0.103 -21.168 345 HD13 LEU 46 3HD1 LEU 46 15.116 0.077 -21.882 346 HD21 LEU 46 3HD2 LEU 46 11.889 1.977 -21.840 347 HD22 LEU 46 1HD2 LEU 46 12.190 1.624 -23.543 348 HD23 LEU 46 2HD2 LEU 46 12.463 3.250 -22.918 349 H GLY 47 H GLY 47 17.060 4.435 -21.496 350 HA2 GLY 47 2HA GLY 47 18.112 3.626 -23.969 351 HA3 GLY 47 3HA GLY 47 18.704 4.975 -23.009 352 H LYS 48 H LYS 48 19.772 3.833 -20.807 353 HA LYS 48 HA LYS 48 22.240 2.794 -21.570 354 HB2 LYS 48 2HB LYS 48 20.814 2.438 -18.917 355 HB3 LYS 48 3HB LYS 48 22.530 2.171 -19.188 356 HG2 LYS 48 2HG LYS 48 21.070 4.801 -19.424 357 HG3 LYS 48 3HG LYS 48 22.157 4.314 -18.120 358 HD2 LYS 48 2HD LYS 48 23.996 4.134 -19.773 359 HD3 LYS 48 3HD LYS 48 22.897 4.719 -21.023 360 HE2 LYS 48 2HE LYS 48 24.243 6.559 -20.256 361 HE3 LYS 48 3HE LYS 48 22.585 6.803 -19.707 362 HZ1 LYS 48 3HZ LYS 48 24.196 7.295 -17.972 363 HZ2 LYS 48 1HZ LYS 48 24.806 5.719 -18.059 364 HZ3 LYS 48 2HZ LYS 48 23.224 5.986 -17.527 365 H LEU 49 H LEU 49 19.243 1.120 -20.769 366 HA LEU 49 HA LEU 49 20.331 -1.500 -20.658 367 HB2 LEU 49 2HB LEU 49 18.134 -0.832 -19.707 368 HB3 LEU 49 3HB LEU 49 17.506 -0.663 -21.335 369 HG LEU 49 HG LEU 49 17.713 -3.043 -21.734 370 HD11 LEU 49 1HD1 LEU 49 18.516 -4.582 -20.009 371 HD12 LEU 49 2HD1 LEU 49 18.945 -3.214 -18.979 372 HD13 LEU 49 3HD1 LEU 49 19.782 -3.463 -20.513 373 HD21 LEU 49 3HD2 LEU 49 16.139 -3.890 -20.065 374 HD22 LEU 49 1HD2 LEU 49 15.695 -2.269 -20.599 375 HD23 LEU 49 2HD2 LEU 49 16.475 -2.499 -19.034 376 H TYR 50 H TYR 50 18.879 0.390 -23.321 377 HA TYR 50 HA TYR 50 19.107 -1.567 -25.334 378 HB2 TYR 50 2HB TYR 50 19.253 1.449 -25.485 379 HB3 TYR 50 3HB TYR 50 19.319 0.426 -26.914 380 HD1 TYR 50 HD2 TYR 50 17.324 -1.391 -26.987 381 HD2 TYR 50 HD1 TYR 50 17.204 2.338 -24.939 382 HE1 TYR 50 HE2 TYR 50 14.868 -1.419 -27.086 383 HE2 TYR 50 HE1 TYR 50 14.755 2.317 -25.037 384 HH TYR 50 HH TYR 50 12.968 -0.452 -25.983 385 H GLU 51 H GLU 51 21.433 0.930 -24.281 386 HA GLU 51 HA GLU 51 23.538 0.299 -25.997 387 HB2 GLU 51 2HB GLU 51 23.648 1.274 -23.131 388 HB3 GLU 51 3HB GLU 51 25.031 1.232 -24.216 389 HG2 GLU 51 2HG GLU 51 23.772 2.754 -25.754 390 HG3 GLU 51 3HG GLU 51 22.535 2.899 -24.506 391 H ARG 52 H ARG 52 22.651 -1.184 -22.897 392 HA ARG 52 HA ARG 52 24.803 -3.012 -22.736 393 HB2 ARG 52 2HB ARG 52 23.275 -2.483 -20.846 394 HB3 ARG 52 3HB ARG 52 21.986 -3.354 -21.667 395 HG2 ARG 52 2HG ARG 52 23.324 -5.419 -21.542 396 HG3 ARG 52 3HG ARG 52 24.578 -4.532 -20.676 397 HD2 ARG 52 2HD ARG 52 22.917 -4.013 -18.900 398 HD3 ARG 52 3HD ARG 52 21.746 -5.023 -19.750 399 HE ARG 52 HE ARG 52 24.158 -6.433 -19.225 400 HH11 ARG 52 1HH1 ARG 52 21.236 -5.391 -17.713 401 HH12 ARG 52 2HH1 ARG 52 21.298 -6.630 -16.511 402 HH21 ARG 52 1HH2 ARG 52 24.207 -8.014 -17.683 403 HH22 ARG 52 2HH2 ARG 52 22.946 -8.096 -16.499 404 H LEU 53 H LEU 53 21.737 -3.123 -24.455 405 HA LEU 53 HA LEU 53 22.128 -5.880 -25.322 406 HB2 LEU 53 2HB LEU 53 20.009 -3.851 -26.057 407 HB3 LEU 53 3HB LEU 53 20.002 -5.535 -26.549 408 HG LEU 53 HG LEU 53 19.766 -4.516 -23.708 409 HD11 LEU 53 1HD1 LEU 53 17.468 -5.349 -23.842 410 HD12 LEU 53 2HD1 LEU 53 17.718 -5.781 -25.533 411 HD13 LEU 53 3HD1 LEU 53 17.766 -4.088 -25.038 412 HD21 LEU 53 3HD2 LEU 53 20.930 -6.666 -23.797 413 HD22 LEU 53 1HD2 LEU 53 19.628 -7.342 -24.778 414 HD23 LEU 53 2HD2 LEU 53 19.316 -6.848 -23.114 415 H ASP 54 H ASP 54 23.809 -3.372 -26.168 416 HA ASP 54 HA ASP 54 25.078 -2.790 -27.959 417 HB2 ASP 54 2HB ASP 54 25.270 -5.256 -28.264 418 HB3 ASP 54 3HB ASP 54 23.869 -5.211 -29.326 419 H ARG 55 H ARG 55 21.932 -2.386 -27.778 420 HA ARG 55 HA ARG 55 21.340 -1.548 -30.506 421 HB2 ARG 55 2HB ARG 55 19.654 -1.354 -27.993 422 HB3 ARG 55 3HB ARG 55 19.094 -1.077 -29.636 423 HG2 ARG 55 2HG ARG 55 20.106 -3.707 -28.551 424 HG3 ARG 55 3HG ARG 55 18.412 -3.270 -28.782 425 HD2 ARG 55 2HD ARG 55 20.520 -3.566 -30.925 426 HD3 ARG 55 3HD ARG 55 19.154 -4.643 -30.628 427 HE ARG 55 HE ARG 55 18.380 -1.930 -31.166 428 HH11 ARG 55 1HH1 ARG 55 19.190 -4.940 -32.621 429 HH12 ARG 55 2HH1 ARG 55 18.328 -4.585 -34.078 430 HH21 ARG 55 1HH2 ARG 55 17.285 -1.481 -33.001 431 HH22 ARG 55 2HH2 ARG 55 17.252 -2.636 -34.295 432 H THR 56 H THR 56 23.355 -0.022 -29.963 433 HA THR 56 HA THR 56 23.121 2.217 -28.329 434 HB THR 56 HB THR 56 24.636 2.074 -30.948 435 HG1 THR 56 HG1 THR 56 26.312 1.250 -29.703 436 HG21 THR 56 3HG2 THR 56 26.118 3.750 -29.919 437 HG22 THR 56 1HG2 THR 56 25.063 3.816 -28.505 438 HG23 THR 56 2HG2 THR 56 24.473 4.367 -30.074 439 H ASP 57 H ASP 57 22.357 2.015 -31.823 440 HA ASP 57 HA ASP 57 21.564 4.684 -32.145 441 HB2 ASP 57 2HB ASP 57 22.052 3.163 -34.020 442 HB3 ASP 57 3HB ASP 57 20.587 2.250 -33.665 443 H ASP 58 H ASP 58 19.629 1.818 -31.307 444 HA ASP 58 HA ASP 58 17.108 3.032 -31.124 445 HB2 ASP 58 2HB ASP 58 18.177 0.780 -29.397 446 HB3 ASP 58 3HB ASP 58 16.484 1.137 -29.724 447 H ALA 59 H ALA 59 19.682 2.674 -28.706 448 HA ALA 59 HA ALA 59 18.407 3.805 -26.496 449 HB1 ALA 59 3HB ALA 59 21.337 3.993 -27.218 450 HB2 ALA 59 1HB ALA 59 20.567 2.638 -26.387 451 HB3 ALA 59 2HB ALA 59 20.638 4.220 -25.614 452 H ILE 60 H ILE 60 20.482 5.409 -28.918 453 HA ILE 60 HA ILE 60 20.364 8.012 -27.970 454 HB ILE 60 HB ILE 60 20.459 7.121 -30.863 455 HG12 ILE 60 2HG1 ILE 60 22.705 7.815 -28.942 456 HG13 ILE 60 3HG1 ILE 60 22.262 6.184 -29.436 457 HG21 ILE 60 1HG2 ILE 60 19.854 9.467 -30.735 458 HG22 ILE 60 2HG2 ILE 60 21.520 9.314 -31.292 459 HG23 ILE 60 3HG2 ILE 60 21.188 9.780 -29.625 460 HD11 ILE 60 3HD1 ILE 60 24.210 6.958 -30.643 461 HD12 ILE 60 1HD1 ILE 60 23.315 8.358 -31.234 462 HD13 ILE 60 2HD1 ILE 60 22.851 6.734 -31.744 463 H ASP 61 H ASP 61 18.070 6.396 -30.183 464 HA ASP 61 HA ASP 61 16.385 8.644 -30.561 465 HB2 ASP 61 2HB ASP 61 16.413 6.615 -32.022 466 HB3 ASP 61 3HB ASP 61 15.621 5.718 -30.729 467 H THR 62 H THR 62 16.354 6.002 -28.201 468 HA THR 62 HA THR 62 13.948 6.649 -26.881 469 HB THR 62 HB THR 62 16.439 5.358 -25.723 470 HG1 THR 62 HG1 THR 62 15.695 4.038 -27.327 471 HG21 THR 62 3HG2 THR 62 14.916 4.410 -24.033 472 HG22 THR 62 1HG2 THR 62 13.590 5.359 -24.700 473 HG23 THR 62 2HG2 THR 62 14.963 6.171 -23.946 474 H TYR 63 H TYR 63 17.280 7.790 -26.370 475 HA TYR 63 HA TYR 63 16.727 9.475 -24.167 476 HB2 TYR 63 2HB TYR 63 18.881 9.661 -26.288 477 HB3 TYR 63 3HB TYR 63 18.815 10.705 -24.871 478 HD1 TYR 63 HD2 TYR 63 18.440 9.234 -22.592 479 HD2 TYR 63 HD1 TYR 63 20.386 7.906 -26.136 480 HE1 TYR 63 HE2 TYR 63 19.658 7.548 -21.284 481 HE2 TYR 63 HE1 TYR 63 21.608 6.214 -24.839 482 HH TYR 63 HH TYR 63 22.240 5.651 -22.664 483 H ALA 64 H ALA 64 16.647 10.056 -27.671 484 HA ALA 64 HA ALA 64 16.108 12.790 -27.683 485 HB1 ALA 64 3HB ALA 64 15.036 10.722 -29.605 486 HB2 ALA 64 1HB ALA 64 16.629 11.473 -29.693 487 HB3 ALA 64 2HB ALA 64 15.178 12.455 -29.906 488 H GLN 65 H GLN 65 13.767 10.088 -27.614 489 HA GLN 65 HA GLN 65 11.397 11.519 -27.342 490 HB2 GLN 65 2HB GLN 65 12.257 8.864 -26.178 491 HB3 GLN 65 3HB GLN 65 10.620 9.481 -26.006 492 HG2 GLN 65 2HG GLN 65 11.997 8.981 -28.641 493 HG3 GLN 65 3HG GLN 65 10.883 7.862 -27.854 494 HE21 GLN 65 1HE2 GLN 65 9.113 9.913 -26.873 495 HE22 GLN 65 2HE2 GLN 65 8.259 10.538 -28.231 496 H GLY 66 H GLY 66 13.521 10.318 -24.745 497 HA2 GLY 66 2HA GLY 66 12.162 11.450 -22.570 498 HA3 GLY 66 3HA GLY 66 13.869 11.037 -22.596 499 H ILE 67 H ILE 67 14.548 12.864 -24.746 500 HA ILE 67 HA ILE 67 15.253 15.137 -23.268 501 HB ILE 67 HB ILE 67 15.211 14.552 -26.225 502 HG12 ILE 67 2HG1 ILE 67 17.511 15.053 -24.321 503 HG13 ILE 67 3HG1 ILE 67 16.877 13.454 -24.698 504 HG21 ILE 67 1HG2 ILE 67 16.226 17.097 -24.956 505 HG22 ILE 67 2HG2 ILE 67 14.830 16.961 -26.023 506 HG23 ILE 67 3HG2 ILE 67 16.449 16.624 -26.639 507 HD11 ILE 67 3HD1 ILE 67 18.883 13.948 -25.968 508 HD12 ILE 67 1HD1 ILE 67 18.105 15.364 -26.671 509 HD13 ILE 67 2HD1 ILE 67 17.491 13.752 -27.032 510 H GLU 68 H GLU 68 12.673 14.707 -25.686 511 HA GLU 68 HA GLU 68 11.673 17.316 -25.681 512 HB2 GLU 68 2HB GLU 68 10.071 14.769 -26.021 513 HB3 GLU 68 3HB GLU 68 9.616 16.373 -26.582 514 HG2 GLU 68 2HG GLU 68 11.629 16.349 -28.060 515 HG3 GLU 68 3HG GLU 68 11.897 14.677 -27.580 516 H VAL 69 H VAL 69 10.471 14.514 -23.808 517 HA VAL 69 HA VAL 69 8.692 16.114 -22.252 518 HB VAL 69 HB VAL 69 8.515 14.067 -20.777 519 HG11 VAL 69 1HG1 VAL 69 6.959 14.471 -22.601 520 HG12 VAL 69 2HG1 VAL 69 7.321 12.749 -22.483 521 HG13 VAL 69 3HG1 VAL 69 8.072 13.723 -23.747 522 HG21 VAL 69 3HG2 VAL 69 10.757 13.150 -21.192 523 HG22 VAL 69 1HG2 VAL 69 10.324 12.851 -22.878 524 HG23 VAL 69 2HG2 VAL 69 9.494 11.983 -21.585 525 H ALA 70 H ALA 70 12.066 15.389 -21.920 526 HA ALA 70 HA ALA 70 12.299 15.920 -19.124 527 HB1 ALA 70 3HB ALA 70 14.705 16.079 -19.537 528 HB2 ALA 70 1HB ALA 70 14.411 16.082 -21.276 529 HB3 ALA 70 2HB ALA 70 14.012 14.657 -20.316 530 H ARG 71 H ARG 71 12.746 17.953 -22.023 531 HA ARG 71 HA ARG 71 13.386 20.299 -20.483 532 HB2 ARG 71 2HB ARG 71 13.092 21.512 -22.665 533 HB3 ARG 71 3HB ARG 71 14.268 20.207 -22.702 534 HG2 ARG 71 2HG ARG 71 12.763 18.779 -23.886 535 HG3 ARG 71 3HG ARG 71 11.427 19.908 -23.659 536 HD2 ARG 71 2HD ARG 71 13.935 20.588 -25.195 537 HD3 ARG 71 3HD ARG 71 12.486 19.919 -25.944 538 HE ARG 71 HE ARG 71 12.054 22.308 -24.375 539 HH11 ARG 71 1HH1 ARG 71 12.786 21.043 -27.490 540 HH12 ARG 71 2HH1 ARG 71 12.163 22.425 -28.319 541 HH21 ARG 71 1HH2 ARG 71 11.253 24.091 -25.458 542 HH22 ARG 71 2HH2 ARG 71 11.304 24.125 -27.188 543 H GLU 72 H GLU 72 10.468 19.135 -22.142 544 HA GLU 72 HA GLU 72 8.968 21.515 -21.564 545 HB2 GLU 72 2HB GLU 72 8.057 18.823 -22.606 546 HB3 GLU 72 3HB GLU 72 7.080 20.286 -22.582 547 HG2 GLU 72 2HG GLU 72 8.616 21.376 -24.118 548 HG3 GLU 72 3HG GLU 72 9.668 19.964 -24.100 549 H GLU 73 H GLU 73 8.792 18.147 -20.340 550 HA GLU 73 HA GLU 73 6.848 19.024 -18.324 551 HB2 GLU 73 2HB GLU 73 7.722 16.233 -19.107 552 HB3 GLU 73 3HB GLU 73 6.444 16.619 -17.961 553 HG2 GLU 73 2HG GLU 73 6.422 17.402 -20.875 554 HG3 GLU 73 3HG GLU 73 5.627 15.975 -20.215 555 H GLY 74 H GLY 74 10.147 17.829 -18.539 556 HA2 GLY 74 2HA GLY 74 10.345 17.556 -15.630 557 HA3 GLY 74 3HA GLY 74 11.598 17.179 -16.796 558 H THR 75 H THR 75 13.243 18.579 -16.985 559 HA THR 75 HA THR 75 13.006 21.408 -16.751 560 HB THR 75 HB THR 75 12.908 21.035 -14.361 561 HG1 THR 75 HG1 THR 75 14.956 22.094 -13.778 562 HG21 THR 75 3HG2 THR 75 13.863 18.793 -14.245 563 HG22 THR 75 1HG2 THR 75 14.729 19.878 -13.155 564 HG23 THR 75 2HG2 THR 75 15.448 19.423 -14.701 565 H GLN 76 H GLN 76 15.229 22.473 -16.755 566 HA GLN 76 HA GLN 76 16.767 21.529 -18.885 567 HB2 GLN 76 2HB GLN 76 16.762 23.877 -18.203 568 HB3 GLN 76 3HB GLN 76 17.536 23.464 -16.680 569 HG2 GLN 76 2HG GLN 76 19.166 24.419 -18.156 570 HG3 GLN 76 3HG GLN 76 19.531 22.710 -17.934 571 HE21 GLN 76 1HE2 GLN 76 17.000 23.945 -20.034 572 HE22 GLN 76 2HE2 GLN 76 17.743 23.462 -21.515 573 H LYS 77 H LYS 77 17.207 21.058 -15.411 574 HA LYS 77 HA LYS 77 19.794 20.056 -15.323 575 HB2 LYS 77 2HB LYS 77 18.771 20.494 -13.262 576 HB3 LYS 77 3HB LYS 77 17.340 19.555 -13.661 577 HG2 LYS 77 2HG LYS 77 18.686 17.487 -13.494 578 HG3 LYS 77 3HG LYS 77 20.077 18.458 -13.012 579 HD2 LYS 77 2HD LYS 77 19.047 19.108 -10.978 580 HD3 LYS 77 3HD LYS 77 17.464 18.537 -11.514 581 HE2 LYS 77 2HE LYS 77 19.859 16.774 -10.972 582 HE3 LYS 77 3HE LYS 77 18.511 17.024 -9.863 583 HZ1 LYS 77 3HZ LYS 77 17.026 16.112 -11.583 584 HZ2 LYS 77 1HZ LYS 77 18.190 14.994 -11.076 585 HZ3 LYS 77 2HZ LYS 77 18.366 15.781 -12.559 586 H ASP 78 H ASP 78 16.779 18.166 -15.720 587 HA ASP 78 HA ASP 78 18.243 15.715 -16.142 588 HB2 ASP 78 2HB ASP 78 15.288 16.321 -16.405 589 HB3 ASP 78 3HB ASP 78 16.005 14.710 -16.462 590 H LEU 79 H LEU 79 16.738 18.150 -18.157 591 HA LEU 79 HA LEU 79 16.713 16.869 -20.628 592 HB2 LEU 79 2HB LEU 79 15.814 19.092 -20.355 593 HB3 LEU 79 3HB LEU 79 17.389 19.726 -19.917 594 HG LEU 79 HG LEU 79 18.186 19.225 -22.232 595 HD11 LEU 79 1HD1 LEU 79 16.509 18.781 -23.971 596 HD12 LEU 79 2HD1 LEU 79 15.279 18.584 -22.719 597 HD13 LEU 79 3HD1 LEU 79 16.635 17.458 -22.809 598 HD21 LEU 79 3HD2 LEU 79 15.781 21.047 -22.050 599 HD22 LEU 79 1HD2 LEU 79 17.024 21.097 -23.300 600 HD23 LEU 79 2HD2 LEU 79 17.440 21.473 -21.630 601 H SER 80 H SER 80 19.369 18.707 -19.122 602 HA SER 80 HA SER 80 21.306 18.273 -21.101 603 HB2 SER 80 2HB SER 80 21.602 19.976 -19.387 604 HB3 SER 80 3HB SER 80 21.687 18.741 -18.132 605 HG SER 80 HG SER 80 23.740 18.691 -18.521 606 H GLU 81 H GLU 81 20.375 16.263 -18.343 607 HA GLU 81 HA GLU 81 22.484 14.424 -18.344 608 HB2 GLU 81 2HB GLU 81 19.545 13.876 -17.810 609 HB3 GLU 81 3HB GLU 81 20.872 12.815 -17.361 610 HG2 GLU 81 2HG GLU 81 20.453 15.608 -16.312 611 HG3 GLU 81 3HG GLU 81 19.995 14.125 -15.477 612 H LEU 82 H LEU 82 19.392 14.259 -20.109 613 HA LEU 82 HA LEU 82 20.074 11.872 -21.530 614 HB2 LEU 82 2HB LEU 82 17.910 13.914 -22.070 615 HB3 LEU 82 3HB LEU 82 18.007 12.317 -22.795 616 HG LEU 82 HG LEU 82 17.659 12.856 -19.834 617 HD11 LEU 82 1HD1 LEU 82 15.655 11.953 -21.902 618 HD12 LEU 82 2HD1 LEU 82 15.677 13.509 -21.072 619 HD13 LEU 82 3HD1 LEU 82 15.373 12.030 -20.161 620 HD21 LEU 82 3HD2 LEU 82 17.203 10.454 -19.680 621 HD22 LEU 82 1HD2 LEU 82 18.832 10.760 -20.280 622 HD23 LEU 82 2HD2 LEU 82 17.557 10.272 -21.397 623 H GLN 83 H GLN 83 20.242 15.315 -22.269 624 HA GLN 83 HA GLN 83 20.949 15.208 -24.973 625 HB2 GLN 83 2HB GLN 83 21.669 17.133 -22.761 626 HB3 GLN 83 3HB GLN 83 22.234 17.373 -24.409 627 HG2 GLN 83 2HG GLN 83 19.317 17.038 -23.773 628 HG3 GLN 83 3HG GLN 83 20.122 18.606 -23.688 629 HE21 GLN 83 1HE2 GLN 83 20.761 19.609 -25.572 630 HE22 GLN 83 2HE2 GLN 83 20.262 19.072 -27.136 631 H ASP 84 H ASP 84 23.061 15.169 -22.109 632 HA ASP 84 HA ASP 84 25.464 14.777 -23.594 633 HB2 ASP 84 2HB ASP 84 25.273 15.807 -21.291 634 HB3 ASP 84 3HB ASP 84 24.987 14.189 -20.663 635 H ALA 85 H ALA 85 23.188 12.625 -21.953 636 HA ALA 85 HA ALA 85 24.650 10.250 -21.981 637 HB1 ALA 85 3HB ALA 85 22.514 9.094 -21.783 638 HB2 ALA 85 1HB ALA 85 21.661 10.557 -22.276 639 HB3 ALA 85 2HB ALA 85 22.552 10.525 -20.753 640 H LYS 86 H LYS 86 22.335 11.415 -24.477 641 HA LYS 86 HA LYS 86 22.838 9.261 -26.259 642 HB2 LYS 86 2HB LYS 86 21.616 10.472 -27.900 643 HB3 LYS 86 3HB LYS 86 20.863 10.854 -26.358 644 HG2 LYS 86 2HG LYS 86 21.970 13.007 -26.303 645 HG3 LYS 86 3HG LYS 86 22.853 12.618 -27.782 646 HD2 LYS 86 2HD LYS 86 20.608 12.383 -28.925 647 HD3 LYS 86 3HD LYS 86 19.880 13.061 -27.467 648 HE2 LYS 86 2HE LYS 86 21.944 14.402 -29.221 649 HE3 LYS 86 3HE LYS 86 20.224 14.781 -29.169 650 HZ1 LYS 86 3HZ LYS 86 20.453 15.541 -26.924 651 HZ2 LYS 86 1HZ LYS 86 21.603 16.327 -27.878 652 HZ3 LYS 86 2HZ LYS 86 22.075 15.061 -26.865 653 H LEU 87 H LEU 87 24.382 12.366 -25.749 654 HA LEU 87 HA LEU 87 25.894 12.436 -28.149 655 HB2 LEU 87 2HB LEU 87 25.332 14.412 -26.771 656 HB3 LEU 87 3HB LEU 87 26.407 13.826 -25.517 657 HG LEU 87 HG LEU 87 28.331 14.086 -27.033 658 HD11 LEU 87 1HD1 LEU 87 26.325 15.240 -28.974 659 HD12 LEU 87 2HD1 LEU 87 27.190 13.716 -29.163 660 HD13 LEU 87 3HD1 LEU 87 28.078 15.239 -29.173 661 HD21 LEU 87 3HD2 LEU 87 28.367 16.532 -27.065 662 HD22 LEU 87 1HD2 LEU 87 27.709 15.919 -25.548 663 HD23 LEU 87 2HD2 LEU 87 26.626 16.569 -26.782 664 H LYS 88 H LYS 88 26.656 11.247 -24.876 665 HA LYS 88 HA LYS 88 29.368 10.607 -25.508 666 HB2 LYS 88 2HB LYS 88 29.412 9.389 -23.387 667 HB3 LYS 88 3HB LYS 88 28.677 10.969 -23.190 668 HG2 LYS 88 2HG LYS 88 27.308 9.626 -21.914 669 HG3 LYS 88 3HG LYS 88 26.430 9.696 -23.441 670 HD2 LYS 88 2HD LYS 88 27.424 7.515 -24.072 671 HD3 LYS 88 3HD LYS 88 28.232 7.451 -22.506 672 HE2 LYS 88 2HE LYS 88 26.033 7.498 -21.393 673 HE3 LYS 88 3HE LYS 88 25.249 7.515 -22.973 674 HZ1 LYS 88 3HZ LYS 88 26.373 5.366 -23.431 675 HZ2 LYS 88 1HZ LYS 88 25.259 5.293 -22.164 676 HZ3 LYS 88 2HZ LYS 88 26.915 5.341 -21.830 677 H ALA 89 H ALA 89 26.330 9.006 -25.974 678 HA ALA 89 HA ALA 89 27.385 6.420 -26.628 679 HB1 ALA 89 3HB ALA 89 24.741 7.682 -27.378 680 HB2 ALA 89 1HB ALA 89 25.054 6.722 -25.932 681 HB3 ALA 89 2HB ALA 89 25.147 5.972 -27.525 682 H GLU 90 H GLU 90 26.376 9.258 -28.523 683 HA GLU 90 HA GLU 90 26.984 8.324 -31.089 684 HB2 GLU 90 2HB GLU 90 27.219 11.139 -29.988 685 HB3 GLU 90 3HB GLU 90 27.240 10.722 -31.697 686 HG2 GLU 90 2HG GLU 90 24.965 9.861 -31.531 687 HG3 GLU 90 3HG GLU 90 24.940 10.232 -29.808 688 H GLY 91 H GLY 91 29.062 9.474 -28.533 689 HA2 GLY 91 2HA GLY 91 31.423 9.631 -30.213 690 HA3 GLY 91 3HA GLY 91 31.353 9.882 -28.480 691 H LEU 92 H LEU 92 29.805 7.008 -29.004 692 HA LEU 92 HA LEU 92 32.127 5.448 -28.202 693 HB2 LEU 92 2HB LEU 92 29.228 4.685 -28.606 694 HB3 LEU 92 3HB LEU 92 30.471 3.559 -28.093 695 HG LEU 92 HG LEU 92 29.609 6.018 -26.556 696 HD11 LEU 92 1HD1 LEU 92 27.884 4.270 -26.612 697 HD12 LEU 92 2HD1 LEU 92 28.578 4.461 -25.002 698 HD13 LEU 92 3HD1 LEU 92 29.061 3.097 -26.013 699 HD21 LEU 92 3HD2 LEU 92 31.517 3.789 -25.821 700 HD22 LEU 92 1HD2 LEU 92 30.985 5.085 -24.747 701 HD23 LEU 92 2HD2 LEU 92 31.954 5.463 -26.170 702 H GLU 93 H GLU 93 29.674 5.138 -30.791 703 HA GLU 93 HA GLU 93 31.627 3.608 -32.380 704 HB2 GLU 93 2HB GLU 93 29.727 2.847 -33.717 705 HB3 GLU 93 3HB GLU 93 29.470 2.498 -32.014 706 HG2 GLU 93 2HG GLU 93 27.889 4.256 -31.797 707 HG3 GLU 93 3HG GLU 93 28.304 4.917 -33.378 708 H HIS 94 H HIS 94 32.108 4.170 -34.512 709 HA HIS 94 HA HIS 94 31.603 6.942 -35.264 710 HB2 HIS 94 2HB HIS 94 33.232 4.796 -36.662 711 HB3 HIS 94 3HB HIS 94 33.165 6.493 -37.129 712 HD1 HIS 94 HD1 HIS 94 34.626 8.127 -35.829 713 HD2 HIS 94 HD2 HIS 94 34.648 4.295 -34.224 714 HE1 HIS 94 HE1 HIS 94 36.456 8.128 -34.117 715 HE2 HIS 94 HE2 HIS 94 36.356 5.849 -33.065 716 H HIS 95 H HIS 95 29.314 6.665 -35.512 717 HA HIS 95 HA HIS 95 28.094 4.728 -37.122 718 HB2 HIS 95 2HB HIS 95 27.025 6.198 -35.346 719 HB3 HIS 95 3HB HIS 95 26.978 7.479 -36.552 720 HD1 HIS 95 HD1 HIS 95 25.572 4.039 -35.879 721 HD2 HIS 95 HD2 HIS 95 24.852 7.348 -38.288 722 HE1 HIS 95 HE1 HIS 95 23.359 3.601 -36.982 723 HE2 HIS 95 HE2 HIS 95 22.846 5.721 -38.234 724 H HIS 96 H HIS 96 28.760 4.476 -39.196 725 HA HIS 96 HA HIS 96 29.464 6.737 -40.840 726 HB2 HIS 96 2HB HIS 96 29.329 3.784 -41.484 727 HB3 HIS 96 3HB HIS 96 29.938 5.019 -42.582 728 HD1 HIS 96 HD1 HIS 96 32.103 6.369 -41.664 729 HD2 HIS 96 HD2 HIS 96 31.209 2.788 -39.758 730 HE1 HIS 96 HE1 HIS 96 34.183 5.738 -40.418 731 HE2 HIS 96 HE2 HIS 96 33.550 3.682 -39.120 732 H HIS 97 H HIS 97 28.185 7.853 -42.109 733 HA HIS 97 HA HIS 97 25.880 6.593 -43.413 734 HB2 HIS 97 2HB HIS 97 24.878 7.611 -41.472 735 HB3 HIS 97 3HB HIS 97 25.776 9.104 -41.720 736 HD1 HIS 97 HD1 HIS 97 22.947 7.109 -43.250 737 HD2 HIS 97 HD2 HIS 97 24.538 10.947 -43.346 738 HE1 HIS 97 HE1 HIS 97 21.318 8.480 -44.580 739 HE2 HIS 97 HE2 HIS 97 22.401 10.742 -44.781 740 H HIS 98 H HIS 98 26.447 6.820 -45.519 741 HA HIS 98 HA HIS 98 27.975 9.021 -46.509 742 HB2 HIS 98 2HB HIS 98 27.630 8.080 -48.721 743 HB3 HIS 98 3HB HIS 98 28.000 6.785 -47.590 744 HD1 HIS 98 HD1 HIS 98 25.097 8.264 -49.513 745 HD2 HIS 98 HD2 HIS 98 26.085 4.800 -47.436 746 HE1 HIS 98 HE1 HIS 98 23.225 6.660 -49.954 747 HE2 HIS 98 HE2 HIS 98 23.928 4.523 -48.834 748 H HIS 99 H HIS 99 27.220 10.439 -48.311 749 HA HIS 99 HA HIS 99 25.132 12.097 -47.553 750 HB2 HIS 99 2HB HIS 99 25.277 13.045 -49.873 751 HB3 HIS 99 3HB HIS 99 26.815 12.926 -49.031 752 HD1 HIS 99 HD1 HIS 99 28.634 11.607 -50.145 753 HD2 HIS 99 HD2 HIS 99 24.944 11.082 -51.981 754 HE1 HIS 99 HE1 HIS 99 29.110 10.346 -52.262 755 HE2 HIS 99 HE2 HIS 99 26.855 9.923 -53.284 Start of MODEL 18 1 H1 GLU 1 1H GLU 1 1.468 2.252 -1.895 2 H2 GLU 1 2H GLU 1 2.625 2.655 -3.062 3 H3 GLU 1 3H GLU 1 2.833 3.151 -1.464 4 HA GLU 1 HA GLU 1 4.279 1.298 -1.966 5 HB2 GLU 1 2HB GLU 1 2.036 0.457 -0.114 6 HB3 GLU 1 3HB GLU 1 3.715 -0.060 -0.045 7 HG2 GLU 1 2HG GLU 1 2.616 2.682 0.545 8 HG3 GLU 1 3HG GLU 1 3.348 1.551 1.682 9 H ASP 2 H ASP 2 1.884 1.215 -3.928 10 HA ASP 2 HA ASP 2 1.626 -1.709 -4.195 11 HB2 ASP 2 2HB ASP 2 -0.078 0.527 -5.336 12 HB3 ASP 2 3HB ASP 2 -0.360 -1.194 -5.588 13 HA PRO 3 HA PRO 3 3.835 -1.913 -8.089 14 HB2 PRO 3 2HB PRO 3 1.299 -2.889 -9.347 15 HB3 PRO 3 3HB PRO 3 2.923 -3.586 -9.401 16 HG2 PRO 3 2HG PRO 3 1.059 -4.663 -7.847 17 HG3 PRO 3 3HG PRO 3 2.734 -4.526 -7.278 18 HD2 PRO 3 2HD PRO 3 0.344 -2.879 -6.549 19 HD3 PRO 3 3HD PRO 3 1.699 -3.415 -5.533 20 H GLU 4 H GLU 4 0.789 -0.207 -7.914 21 HA GLU 4 HA GLU 4 1.121 1.071 -10.501 22 HB2 GLU 4 2HB GLU 4 -0.943 1.529 -8.337 23 HB3 GLU 4 3HB GLU 4 -0.970 2.265 -9.935 24 HG2 GLU 4 2HG GLU 4 -1.084 -0.001 -10.930 25 HG3 GLU 4 3HG GLU 4 -1.188 -0.672 -9.304 26 H ASP 5 H ASP 5 2.346 1.655 -7.410 27 HA ASP 5 HA ASP 5 2.591 4.493 -7.533 28 HB2 ASP 5 2HB ASP 5 4.218 2.375 -6.110 29 HB3 ASP 5 3HB ASP 5 4.556 4.096 -5.964 30 HA PRO 6 HA PRO 6 5.307 4.741 -11.103 31 HB2 PRO 6 2HB PRO 6 6.439 7.199 -10.287 32 HB3 PRO 6 3HB PRO 6 5.061 6.980 -11.366 33 HG2 PRO 6 2HG PRO 6 5.106 7.572 -8.442 34 HG3 PRO 6 3HG PRO 6 3.968 8.125 -9.686 35 HD2 PRO 6 2HD PRO 6 3.280 6.213 -7.945 36 HD3 PRO 6 3HD PRO 6 2.766 6.120 -9.645 37 H PHE 7 H PHE 7 6.567 5.545 -7.859 38 HA PHE 7 HA PHE 7 9.292 4.997 -8.552 39 HB2 PHE 7 2HB PHE 7 8.715 6.534 -6.723 40 HB3 PHE 7 3HB PHE 7 7.989 5.206 -5.822 41 HD1 PHE 7 HD2 PHE 7 11.199 6.435 -7.225 42 HD2 PHE 7 HD1 PHE 7 9.306 3.840 -4.427 43 HE1 PHE 7 HE2 PHE 7 13.383 5.940 -6.211 44 HE2 PHE 7 HE1 PHE 7 11.491 3.341 -3.412 45 HZ PHE 7 HZ PHE 7 13.533 4.393 -4.305 46 H THR 8 H THR 8 6.758 3.127 -6.878 47 HA THR 8 HA THR 8 8.378 0.976 -6.061 48 HB THR 8 HB THR 8 5.415 0.976 -6.692 49 HG1 THR 8 HG1 THR 8 6.215 0.810 -4.071 50 HG21 THR 8 3HG2 THR 8 5.296 -1.048 -5.297 51 HG22 THR 8 1HG2 THR 8 7.055 -1.054 -5.157 52 HG23 THR 8 2HG2 THR 8 6.293 -1.311 -6.727 53 H ARG 9 H ARG 9 6.235 1.165 -8.934 54 HA ARG 9 HA ARG 9 7.010 -1.296 -10.060 55 HB2 ARG 9 2HB ARG 9 6.062 -0.424 -12.158 56 HB3 ARG 9 3HB ARG 9 5.015 -0.108 -10.784 57 HG2 ARG 9 2HG ARG 9 6.134 2.213 -10.723 58 HG3 ARG 9 3HG ARG 9 6.686 1.826 -12.353 59 HD2 ARG 9 2HD ARG 9 3.832 1.964 -11.380 60 HD3 ARG 9 3HD ARG 9 4.633 3.084 -12.480 61 HE ARG 9 HE ARG 9 4.827 0.681 -13.738 62 HH11 ARG 9 1HH1 ARG 9 2.224 2.555 -12.485 63 HH12 ARG 9 2HH1 ARG 9 1.069 1.888 -13.586 64 HH21 ARG 9 1HH2 ARG 9 3.332 -0.168 -15.150 65 HH22 ARG 9 2HH2 ARG 9 1.686 0.358 -15.068 66 H TYR 10 H TYR 10 8.402 1.935 -10.380 67 HA TYR 10 HA TYR 10 10.407 1.355 -12.270 68 HB2 TYR 10 2HB TYR 10 9.830 3.630 -11.676 69 HB3 TYR 10 3HB TYR 10 10.298 3.361 -10.004 70 HD1 TYR 10 HD1 TYR 10 11.716 3.401 -13.468 71 HD2 TYR 10 HD2 TYR 10 12.441 3.959 -9.302 72 HE1 TYR 10 HE1 TYR 10 13.958 4.276 -13.976 73 HE2 TYR 10 HE2 TYR 10 14.681 4.830 -9.806 74 HH TYR 10 HH TYR 10 15.623 5.916 -12.703 75 H ALA 11 H ALA 11 10.317 1.006 -8.748 76 HA ALA 11 HA ALA 11 13.008 0.214 -8.373 77 HB1 ALA 11 3HB ALA 11 11.576 0.984 -6.532 78 HB2 ALA 11 1HB ALA 11 12.280 -0.597 -6.190 79 HB3 ALA 11 2HB ALA 11 10.593 -0.472 -6.690 80 H LEU 12 H LEU 12 10.024 -1.699 -8.863 81 HA LEU 12 HA LEU 12 11.205 -4.249 -8.791 82 HB2 LEU 12 2HB LEU 12 8.715 -3.151 -10.042 83 HB3 LEU 12 3HB LEU 12 9.218 -4.779 -10.453 84 HG LEU 12 HG LEU 12 7.547 -4.792 -8.668 85 HD11 LEU 12 1HD1 LEU 12 8.732 -6.211 -7.072 86 HD12 LEU 12 2HD1 LEU 12 10.278 -5.632 -7.693 87 HD13 LEU 12 3HD1 LEU 12 9.210 -6.578 -8.729 88 HD21 LEU 12 3HD2 LEU 12 8.041 -3.901 -6.451 89 HD22 LEU 12 1HD2 LEU 12 8.047 -2.618 -7.662 90 HD23 LEU 12 2HD2 LEU 12 9.571 -3.251 -7.039 91 H ALA 13 H ALA 13 10.867 -1.955 -11.476 92 HA ALA 13 HA ALA 13 11.925 -3.535 -13.531 93 HB1 ALA 13 3HB ALA 13 12.486 -1.438 -14.651 94 HB2 ALA 13 1HB ALA 13 12.276 -0.559 -13.135 95 HB3 ALA 13 2HB ALA 13 10.892 -1.339 -13.901 96 H GLN 14 H GLN 14 13.612 -1.382 -11.243 97 HA GLN 14 HA GLN 14 16.247 -1.942 -12.056 98 HB2 GLN 14 2HB GLN 14 15.200 -1.165 -9.318 99 HB3 GLN 14 3HB GLN 14 16.893 -1.126 -9.793 100 HG2 GLN 14 2HG GLN 14 16.390 0.562 -11.485 101 HG3 GLN 14 3HG GLN 14 14.686 0.514 -11.038 102 HE21 GLN 14 1HE2 GLN 14 16.569 2.746 -10.986 103 HE22 GLN 14 2HE2 GLN 14 16.575 3.327 -9.362 104 H GLU 15 H GLU 15 14.184 -3.504 -9.615 105 HA GLU 15 HA GLU 15 16.039 -5.324 -8.587 106 HB2 GLU 15 2HB GLU 15 13.037 -5.403 -8.803 107 HB3 GLU 15 3HB GLU 15 13.933 -6.735 -8.088 108 HG2 GLU 15 2HG GLU 15 13.972 -3.875 -7.136 109 HG3 GLU 15 3HG GLU 15 13.085 -5.206 -6.392 110 H HIS 16 H HIS 16 13.736 -5.790 -11.293 111 HA HIS 16 HA HIS 16 14.439 -8.438 -11.851 112 HB2 HIS 16 2HB HIS 16 13.271 -6.252 -13.549 113 HB3 HIS 16 3HB HIS 16 13.680 -7.812 -14.258 114 HD1 HIS 16 HD1 HIS 16 12.496 -9.940 -12.991 115 HD2 HIS 16 HD2 HIS 16 10.795 -6.193 -12.393 116 HE1 HIS 16 HE1 HIS 16 10.171 -10.381 -12.160 117 HE2 HIS 16 HE2 HIS 16 9.229 -8.108 -11.640 118 H LEU 17 H LEU 17 15.923 -5.421 -13.058 119 HA LEU 17 HA LEU 17 17.878 -6.597 -14.708 120 HB2 LEU 17 2HB LEU 17 18.023 -4.090 -13.017 121 HB3 LEU 17 3HB LEU 17 19.222 -4.532 -14.218 122 HG LEU 17 HG LEU 17 16.310 -3.984 -14.825 123 HD11 LEU 17 1HD1 LEU 17 17.104 -1.888 -15.808 124 HD12 LEU 17 2HD1 LEU 17 18.739 -2.240 -15.247 125 HD13 LEU 17 3HD1 LEU 17 17.448 -1.959 -14.079 126 HD21 LEU 17 3HD2 LEU 17 17.347 -5.528 -16.413 127 HD22 LEU 17 1HD2 LEU 17 18.682 -4.400 -16.653 128 HD23 LEU 17 2HD2 LEU 17 17.052 -3.961 -17.164 129 H LYS 18 H LYS 18 17.995 -5.780 -11.251 130 HA LYS 18 HA LYS 18 20.580 -6.740 -10.681 131 HB2 LYS 18 2HB LYS 18 18.137 -6.525 -8.903 132 HB3 LYS 18 3HB LYS 18 19.770 -6.814 -8.319 133 HG2 LYS 18 2HG LYS 18 20.488 -4.646 -9.043 134 HG3 LYS 18 3HG LYS 18 18.961 -4.368 -9.886 135 HD2 LYS 18 2HD LYS 18 19.079 -3.180 -7.718 136 HD3 LYS 18 3HD LYS 18 17.757 -4.350 -7.778 137 HE2 LYS 18 2HE LYS 18 19.211 -5.970 -6.573 138 HE3 LYS 18 3HE LYS 18 20.439 -4.713 -6.431 139 HZ1 LYS 18 3HZ LYS 18 19.038 -4.955 -4.440 140 HZ2 LYS 18 1HZ LYS 18 17.685 -4.499 -5.346 141 HZ3 LYS 18 2HZ LYS 18 18.955 -3.408 -5.109 142 H HIS 19 H HIS 19 17.548 -8.407 -11.078 143 HA HIS 19 HA HIS 19 18.716 -10.918 -10.075 144 HB2 HIS 19 2HB HIS 19 15.824 -10.166 -10.569 145 HB3 HIS 19 3HB HIS 19 16.368 -11.746 -10.013 146 HD1 HIS 19 HD1 HIS 19 17.911 -11.510 -7.673 147 HD2 HIS 19 HD2 HIS 19 15.113 -8.551 -8.499 148 HE1 HIS 19 HE1 HIS 19 17.497 -10.348 -5.490 149 HE2 HIS 19 HE2 HIS 19 15.914 -8.471 -6.042 150 H ASP 20 H ASP 20 19.318 -9.753 -12.712 151 HA ASP 20 HA ASP 20 20.022 -10.707 -14.653 152 HB2 ASP 20 2HB ASP 20 20.262 -12.811 -13.432 153 HB3 ASP 20 3HB ASP 20 18.561 -13.179 -13.697 154 H ASN 21 H ASN 21 16.710 -10.406 -13.898 155 HA ASN 21 HA ASN 21 15.654 -11.262 -16.430 156 HB2 ASN 21 2HB ASN 21 14.383 -9.632 -14.221 157 HB3 ASN 21 3HB ASN 21 13.535 -10.290 -15.611 158 HD21 ASN 21 1HD2 ASN 21 14.862 -12.783 -15.704 159 HD22 ASN 21 2HD2 ASN 21 14.339 -13.692 -14.333 160 H ALA 22 H ALA 22 17.226 -9.885 -17.680 161 HA ALA 22 HA ALA 22 16.988 -7.066 -17.752 162 HB1 ALA 22 3HB ALA 22 18.256 -7.183 -19.821 163 HB2 ALA 22 1HB ALA 22 17.938 -8.915 -19.942 164 HB3 ALA 22 2HB ALA 22 18.934 -8.292 -18.628 165 H SER 23 H SER 23 15.524 -9.600 -19.786 166 HA SER 23 HA SER 23 14.107 -7.841 -21.501 167 HB2 SER 23 2HB SER 23 13.486 -10.729 -20.819 168 HB3 SER 23 3HB SER 23 12.814 -9.831 -22.180 169 HG SER 23 HG SER 23 14.521 -10.939 -22.994 170 H ARG 24 H ARG 24 13.068 -9.623 -18.583 171 HA ARG 24 HA ARG 24 10.399 -8.745 -18.546 172 HB2 ARG 24 2HB ARG 24 12.204 -9.473 -16.238 173 HB3 ARG 24 3HB ARG 24 10.468 -9.279 -16.103 174 HG2 ARG 24 2HG ARG 24 11.829 -11.291 -17.889 175 HG3 ARG 24 3HG ARG 24 11.195 -11.641 -16.280 176 HD2 ARG 24 2HD ARG 24 8.952 -11.146 -16.989 177 HD3 ARG 24 3HD ARG 24 9.524 -10.556 -18.550 178 HE ARG 24 HE ARG 24 10.164 -12.851 -19.068 179 HH11 ARG 24 1HH1 ARG 24 8.041 -12.439 -16.384 180 HH12 ARG 24 2HH1 ARG 24 7.338 -14.006 -16.578 181 HH21 ARG 24 1HH2 ARG 24 9.242 -14.846 -19.296 182 HH22 ARG 24 2HH2 ARG 24 8.018 -15.357 -18.182 183 H ALA 25 H ALA 25 13.321 -7.242 -17.196 184 HA ALA 25 HA ALA 25 11.996 -5.018 -16.007 185 HB1 ALA 25 3HB ALA 25 14.850 -5.243 -16.968 186 HB2 ALA 25 1HB ALA 25 14.262 -5.691 -15.367 187 HB3 ALA 25 2HB ALA 25 14.215 -4.005 -15.883 188 H LEU 26 H LEU 26 13.562 -5.498 -19.162 189 HA LEU 26 HA LEU 26 13.290 -2.974 -20.267 190 HB2 LEU 26 2HB LEU 26 14.495 -4.829 -21.334 191 HB3 LEU 26 3HB LEU 26 12.978 -5.652 -21.639 192 HG LEU 26 HG LEU 26 12.301 -3.816 -23.156 193 HD11 LEU 26 1HD1 LEU 26 13.951 -2.161 -23.877 194 HD12 LEU 26 2HD1 LEU 26 15.089 -2.764 -22.671 195 HD13 LEU 26 3HD1 LEU 26 13.583 -1.999 -22.160 196 HD21 LEU 26 3HD2 LEU 26 13.380 -5.805 -24.063 197 HD22 LEU 26 1HD2 LEU 26 14.965 -5.069 -23.822 198 HD23 LEU 26 2HD2 LEU 26 13.834 -4.370 -24.981 199 H ALA 27 H ALA 27 10.936 -5.650 -20.361 200 HA ALA 27 HA ALA 27 8.863 -4.373 -21.702 201 HB1 ALA 27 3HB ALA 27 8.883 -6.767 -21.189 202 HB2 ALA 27 1HB ALA 27 7.377 -6.009 -20.670 203 HB3 ALA 27 2HB ALA 27 8.622 -6.406 -19.483 204 H LEU 28 H LEU 28 9.615 -4.336 -18.219 205 HA LEU 28 HA LEU 28 7.412 -2.801 -17.378 206 HB2 LEU 28 2HB LEU 28 10.180 -3.131 -16.232 207 HB3 LEU 28 3HB LEU 28 8.950 -2.160 -15.445 208 HG LEU 28 HG LEU 28 8.662 -5.110 -16.054 209 HD11 LEU 28 1HD1 LEU 28 8.981 -5.451 -13.649 210 HD12 LEU 28 2HD1 LEU 28 9.325 -3.731 -13.450 211 HD13 LEU 28 3HD1 LEU 28 10.412 -4.745 -14.400 212 HD21 LEU 28 3HD2 LEU 28 6.734 -4.983 -14.542 213 HD22 LEU 28 1HD2 LEU 28 6.523 -3.936 -15.944 214 HD23 LEU 28 2HD2 LEU 28 6.968 -3.242 -14.384 215 H PHE 29 H PHE 29 10.713 -1.741 -18.279 216 HA PHE 29 HA PHE 29 10.286 1.009 -17.933 217 HB2 PHE 29 2HB PHE 29 12.184 -0.506 -19.725 218 HB3 PHE 29 3HB PHE 29 12.177 1.252 -19.643 219 HD1 PHE 29 HD1 PHE 29 12.370 2.262 -17.228 220 HD2 PHE 29 HD2 PHE 29 13.585 -1.684 -18.296 221 HE1 PHE 29 HE1 PHE 29 13.872 2.199 -15.283 222 HE2 PHE 29 HE2 PHE 29 15.085 -1.748 -16.347 223 HZ PHE 29 HZ PHE 29 15.231 0.193 -14.838 224 H GLU 30 H GLU 30 9.971 -0.951 -20.912 225 HA GLU 30 HA GLU 30 9.045 1.113 -22.579 226 HB2 GLU 30 2HB GLU 30 8.469 -1.860 -22.700 227 HB3 GLU 30 3HB GLU 30 8.119 -0.720 -23.994 228 HG2 GLU 30 2HG GLU 30 10.505 -0.211 -24.202 229 HG3 GLU 30 3HG GLU 30 10.860 -1.338 -22.895 230 H GLU 31 H GLU 31 7.341 -0.992 -20.323 231 HA GLU 31 HA GLU 31 4.697 -0.214 -20.965 232 HB2 GLU 31 2HB GLU 31 5.292 -2.199 -19.574 233 HB3 GLU 31 3HB GLU 31 5.779 -1.112 -18.280 234 HG2 GLU 31 2HG GLU 31 3.448 -0.222 -18.244 235 HG3 GLU 31 3HG GLU 31 3.007 -1.471 -19.409 236 H LEU 32 H LEU 32 7.032 1.053 -18.589 237 HA LEU 32 HA LEU 32 5.412 2.982 -17.384 238 HB2 LEU 32 2HB LEU 32 8.387 3.052 -17.910 239 HB3 LEU 32 3HB LEU 32 7.545 4.148 -16.829 240 HG LEU 32 HG LEU 32 7.758 1.148 -16.477 241 HD11 LEU 32 1HD1 LEU 32 9.105 3.405 -14.989 242 HD12 LEU 32 2HD1 LEU 32 9.886 2.248 -16.067 243 HD13 LEU 32 3HD1 LEU 32 9.178 1.697 -14.549 244 HD21 LEU 32 3HD2 LEU 32 6.528 3.246 -14.685 245 HD22 LEU 32 1HD2 LEU 32 6.725 1.538 -14.292 246 HD23 LEU 32 2HD2 LEU 32 5.652 2.021 -15.604 247 H VAL 33 H VAL 33 7.229 3.130 -20.406 248 HA VAL 33 HA VAL 33 6.912 5.897 -20.910 249 HB VAL 33 HB VAL 33 7.219 3.642 -22.910 250 HG11 VAL 33 1HG1 VAL 33 8.063 5.386 -24.437 251 HG12 VAL 33 2HG1 VAL 33 7.659 6.618 -23.240 252 HG13 VAL 33 3HG1 VAL 33 6.381 5.661 -23.988 253 HG21 VAL 33 3HG2 VAL 33 9.602 4.215 -22.883 254 HG22 VAL 33 1HG2 VAL 33 9.046 3.718 -21.286 255 HG23 VAL 33 2HG2 VAL 33 9.300 5.428 -21.638 256 H GLU 34 H GLU 34 4.850 3.103 -21.697 257 HA GLU 34 HA GLU 34 3.009 4.725 -23.235 258 HB2 GLU 34 2HB GLU 34 1.704 2.688 -23.520 259 HB3 GLU 34 3HB GLU 34 3.401 2.377 -23.852 260 HG2 GLU 34 2HG GLU 34 3.646 1.376 -21.626 261 HG3 GLU 34 3HG GLU 34 1.938 1.670 -21.309 262 H THR 35 H THR 35 3.250 3.612 -19.934 263 HA THR 35 HA THR 35 0.476 4.307 -19.330 264 HB THR 35 HB THR 35 0.937 3.513 -17.060 265 HG1 THR 35 HG1 THR 35 2.950 3.694 -16.428 266 HG21 THR 35 3HG2 THR 35 1.996 1.633 -19.181 267 HG22 THR 35 1HG2 THR 35 0.302 1.848 -18.737 268 HG23 THR 35 2HG2 THR 35 1.438 1.159 -17.576 269 H ASP 36 H ASP 36 3.702 5.299 -18.133 270 HA ASP 36 HA ASP 36 2.521 7.873 -17.269 271 HB2 ASP 36 2HB ASP 36 4.640 6.229 -15.865 272 HB3 ASP 36 3HB ASP 36 4.141 7.845 -15.376 273 HA PRO 37 HA PRO 37 6.023 8.748 -20.257 274 HB2 PRO 37 2HB PRO 37 4.270 11.014 -20.986 275 HB3 PRO 37 3HB PRO 37 5.039 9.810 -22.023 276 HG2 PRO 37 2HG PRO 37 2.392 9.788 -21.566 277 HG3 PRO 37 3HG PRO 37 3.318 8.288 -21.759 278 HD2 PRO 37 2HD PRO 37 2.316 9.587 -19.247 279 HD3 PRO 37 3HD PRO 37 2.347 7.867 -19.692 280 H ASP 38 H ASP 38 4.318 10.634 -17.865 281 HA ASP 38 HA ASP 38 5.980 12.914 -17.771 282 HB2 ASP 38 2HB ASP 38 4.378 11.599 -15.557 283 HB3 ASP 38 3HB ASP 38 5.085 13.209 -15.466 284 H TYR 39 H TYR 39 6.443 9.675 -16.558 285 HA TYR 39 HA TYR 39 8.410 10.418 -14.577 286 HB2 TYR 39 2HB TYR 39 6.797 8.381 -14.542 287 HB3 TYR 39 3HB TYR 39 7.978 7.614 -15.596 288 HD1 TYR 39 HD1 TYR 39 7.885 9.530 -12.389 289 HD2 TYR 39 HD2 TYR 39 9.591 6.286 -14.557 290 HE1 TYR 39 HE1 TYR 39 9.169 8.882 -10.396 291 HE2 TYR 39 HE2 TYR 39 10.880 5.637 -12.571 292 HH TYR 39 HH TYR 39 11.732 6.676 -10.495 293 H VAL 40 H VAL 40 9.997 11.518 -15.750 294 HA VAL 40 HA VAL 40 11.114 10.649 -18.186 295 HB VAL 40 HB VAL 40 12.376 12.497 -16.150 296 HG11 VAL 40 1HG1 VAL 40 13.569 13.444 -18.080 297 HG12 VAL 40 2HG1 VAL 40 12.859 12.210 -19.121 298 HG13 VAL 40 3HG1 VAL 40 13.971 11.746 -17.832 299 HG21 VAL 40 3HG2 VAL 40 10.124 13.240 -16.746 300 HG22 VAL 40 1HG2 VAL 40 10.530 13.135 -18.460 301 HG23 VAL 40 2HG2 VAL 40 11.340 14.318 -17.432 302 H GLY 41 H GLY 41 12.015 9.947 -14.858 303 HA2 GLY 41 2HA GLY 41 14.593 8.977 -15.117 304 HA3 GLY 41 3HA GLY 41 13.410 8.322 -13.997 305 H THR 42 H THR 42 11.602 7.413 -16.093 306 HA THR 42 HA THR 42 12.487 4.812 -16.582 307 HB THR 42 HB THR 42 10.458 6.415 -18.166 308 HG1 THR 42 HG1 THR 42 9.036 5.833 -16.661 309 HG21 THR 42 3HG2 THR 42 9.533 4.237 -18.823 310 HG22 THR 42 1HG2 THR 42 10.852 3.422 -17.982 311 HG23 THR 42 2HG2 THR 42 11.191 4.426 -19.392 312 H TYR 43 H TYR 43 12.431 7.598 -18.810 313 HA TYR 43 HA TYR 43 13.331 6.252 -21.099 314 HB2 TYR 43 2HB TYR 43 13.675 9.172 -20.371 315 HB3 TYR 43 3HB TYR 43 13.852 8.496 -21.987 316 HD1 TYR 43 HD1 TYR 43 11.447 9.290 -19.308 317 HD2 TYR 43 HD2 TYR 43 11.921 7.965 -23.324 318 HE1 TYR 43 HE1 TYR 43 9.049 9.639 -19.699 319 HE2 TYR 43 HE2 TYR 43 9.522 8.309 -23.724 320 HH TYR 43 HH TYR 43 7.522 10.007 -21.510 321 H TYR 44 H TYR 44 15.162 7.987 -18.599 322 HA TYR 44 HA TYR 44 17.684 7.923 -19.810 323 HB2 TYR 44 2HB TYR 44 17.179 9.276 -17.810 324 HB3 TYR 44 3HB TYR 44 17.045 7.809 -16.848 325 HD1 TYR 44 HD2 TYR 44 19.426 9.884 -18.808 326 HD2 TYR 44 HD1 TYR 44 18.975 6.783 -15.923 327 HE1 TYR 44 HE2 TYR 44 21.837 9.982 -18.332 328 HE2 TYR 44 HE1 TYR 44 21.382 6.873 -15.441 329 HH TYR 44 HH TYR 44 23.366 9.406 -16.451 330 H HIS 45 H HIS 45 16.342 5.619 -17.413 331 HA HIS 45 HA HIS 45 18.601 3.866 -17.647 332 HB2 HIS 45 2HB HIS 45 15.901 3.502 -16.337 333 HB3 HIS 45 3HB HIS 45 17.186 2.298 -16.269 334 HD1 HIS 45 HD1 HIS 45 18.970 2.624 -14.523 335 HD2 HIS 45 HD2 HIS 45 16.581 5.989 -15.010 336 HE1 HIS 45 HE1 HIS 45 19.618 4.187 -12.667 337 HE2 HIS 45 HE2 HIS 45 18.022 6.116 -12.868 338 H LEU 46 H LEU 46 15.480 4.034 -19.234 339 HA LEU 46 HA LEU 46 15.426 1.460 -20.380 340 HB2 LEU 46 2HB LEU 46 13.470 2.899 -20.375 341 HB3 LEU 46 3HB LEU 46 14.292 4.081 -21.377 342 HG LEU 46 HG LEU 46 14.316 2.487 -23.251 343 HD11 LEU 46 1HD1 LEU 46 13.049 0.397 -23.126 344 HD12 LEU 46 2HD1 LEU 46 12.758 0.673 -21.409 345 HD13 LEU 46 3HD1 LEU 46 14.399 0.403 -21.993 346 HD21 LEU 46 3HD2 LEU 46 11.920 2.519 -23.740 347 HD22 LEU 46 1HD2 LEU 46 12.450 4.048 -23.040 348 HD23 LEU 46 2HD2 LEU 46 11.570 2.882 -22.049 349 H GLY 47 H GLY 47 16.690 4.545 -21.683 350 HA2 GLY 47 2HA GLY 47 17.759 3.523 -24.078 351 HA3 GLY 47 3HA GLY 47 18.322 4.965 -23.249 352 H LYS 48 H LYS 48 19.322 3.983 -20.908 353 HA LYS 48 HA LYS 48 21.841 2.954 -21.498 354 HB2 LYS 48 2HB LYS 48 20.282 2.709 -18.907 355 HB3 LYS 48 3HB LYS 48 22.016 2.466 -19.073 356 HG2 LYS 48 2HG LYS 48 20.607 5.052 -19.710 357 HG3 LYS 48 3HG LYS 48 21.350 4.690 -18.154 358 HD2 LYS 48 2HD LYS 48 22.964 4.452 -20.673 359 HD3 LYS 48 3HD LYS 48 22.673 6.038 -19.962 360 HE2 LYS 48 2HE LYS 48 24.805 5.089 -19.208 361 HE3 LYS 48 3HE LYS 48 23.685 5.308 -17.867 362 HZ1 LYS 48 3HZ LYS 48 24.187 2.729 -19.254 363 HZ2 LYS 48 1HZ LYS 48 23.199 2.964 -17.901 364 HZ3 LYS 48 2HZ LYS 48 24.869 3.185 -17.776 365 H LEU 49 H LEU 49 18.846 1.249 -20.725 366 HA LEU 49 HA LEU 49 20.022 -1.344 -20.528 367 HB2 LEU 49 2HB LEU 49 17.852 -0.775 -19.517 368 HB3 LEU 49 3HB LEU 49 17.160 -0.549 -21.112 369 HG LEU 49 HG LEU 49 17.367 -2.916 -21.604 370 HD11 LEU 49 1HD1 LEU 49 18.217 -4.508 -19.934 371 HD12 LEU 49 2HD1 LEU 49 18.698 -3.159 -18.903 372 HD13 LEU 49 3HD1 LEU 49 19.468 -3.388 -20.474 373 HD21 LEU 49 3HD2 LEU 49 15.845 -3.834 -19.927 374 HD22 LEU 49 1HD2 LEU 49 15.377 -2.194 -20.372 375 HD23 LEU 49 2HD2 LEU 49 16.208 -2.490 -18.843 376 H TYR 50 H TYR 50 18.475 0.450 -23.194 377 HA TYR 50 HA TYR 50 18.678 -1.563 -25.149 378 HB2 TYR 50 2HB TYR 50 18.708 1.448 -25.364 379 HB3 TYR 50 3HB TYR 50 18.808 0.413 -26.784 380 HD1 TYR 50 HD2 TYR 50 16.922 -1.722 -26.232 381 HD2 TYR 50 HD1 TYR 50 16.598 2.437 -25.368 382 HE1 TYR 50 HE2 TYR 50 14.472 -1.903 -26.289 383 HE2 TYR 50 HE1 TYR 50 14.150 2.260 -25.425 384 HH TYR 50 HH TYR 50 12.507 -0.668 -25.349 385 H GLU 51 H GLU 51 21.012 0.987 -24.250 386 HA GLU 51 HA GLU 51 23.113 0.301 -25.935 387 HB2 GLU 51 2HB GLU 51 23.193 1.311 -23.080 388 HB3 GLU 51 3HB GLU 51 24.602 1.228 -24.129 389 HG2 GLU 51 2HG GLU 51 23.534 2.798 -25.683 390 HG3 GLU 51 3HG GLU 51 22.127 2.881 -24.622 391 H ARG 52 H ARG 52 22.143 -1.159 -22.861 392 HA ARG 52 HA ARG 52 24.324 -2.965 -22.624 393 HB2 ARG 52 2HB ARG 52 22.759 -2.317 -20.766 394 HB3 ARG 52 3HB ARG 52 21.522 -3.313 -21.522 395 HG2 ARG 52 2HG ARG 52 23.032 -5.279 -21.271 396 HG3 ARG 52 3HG ARG 52 24.154 -4.249 -20.380 397 HD2 ARG 52 2HD ARG 52 22.233 -3.748 -18.802 398 HD3 ARG 52 3HD ARG 52 21.350 -5.048 -19.607 399 HE ARG 52 HE ARG 52 23.979 -5.638 -18.464 400 HH11 ARG 52 1HH1 ARG 52 20.563 -6.091 -18.367 401 HH12 ARG 52 2HH1 ARG 52 20.658 -7.322 -17.158 402 HH21 ARG 52 1HH2 ARG 52 24.078 -7.212 -16.928 403 HH22 ARG 52 2HH2 ARG 52 22.619 -7.950 -16.358 404 H LEU 53 H LEU 53 21.295 -3.070 -24.364 405 HA LEU 53 HA LEU 53 21.663 -5.884 -25.108 406 HB2 LEU 53 2HB LEU 53 19.397 -3.970 -25.688 407 HB3 LEU 53 3HB LEU 53 19.419 -5.669 -26.122 408 HG LEU 53 HG LEU 53 19.465 -4.596 -23.292 409 HD11 LEU 53 1HD1 LEU 53 17.180 -5.463 -23.144 410 HD12 LEU 53 2HD1 LEU 53 17.229 -5.892 -24.855 411 HD13 LEU 53 3HD1 LEU 53 17.317 -4.198 -24.366 412 HD21 LEU 53 3HD2 LEU 53 19.136 -6.915 -22.620 413 HD22 LEU 53 1HD2 LEU 53 20.638 -6.738 -23.526 414 HD23 LEU 53 2HD2 LEU 53 19.216 -7.432 -24.304 415 H ASP 54 H ASP 54 23.133 -3.313 -26.178 416 HA ASP 54 HA ASP 54 24.305 -2.872 -28.076 417 HB2 ASP 54 2HB ASP 54 24.577 -5.228 -28.455 418 HB3 ASP 54 3HB ASP 54 22.939 -5.378 -29.075 419 H ARG 55 H ARG 55 21.064 -2.525 -27.766 420 HA ARG 55 HA ARG 55 20.343 -1.768 -30.452 421 HB2 ARG 55 2HB ARG 55 18.897 -1.215 -27.846 422 HB3 ARG 55 3HB ARG 55 18.216 -1.069 -29.462 423 HG2 ARG 55 2HG ARG 55 19.224 -3.647 -28.265 424 HG3 ARG 55 3HG ARG 55 17.539 -3.131 -28.254 425 HD2 ARG 55 2HD ARG 55 19.209 -3.593 -30.729 426 HD3 ARG 55 3HD ARG 55 18.030 -4.726 -30.069 427 HE ARG 55 HE ARG 55 17.210 -2.036 -30.918 428 HH11 ARG 55 1HH1 ARG 55 16.943 -5.461 -31.214 429 HH12 ARG 55 2HH1 ARG 55 15.513 -5.366 -32.183 430 HH21 ARG 55 1HH2 ARG 55 15.387 -1.931 -32.146 431 HH22 ARG 55 2HH2 ARG 55 14.644 -3.391 -32.706 432 H THR 56 H THR 56 22.237 -0.268 -30.674 433 HA THR 56 HA THR 56 22.541 2.084 -29.155 434 HB THR 56 HB THR 56 23.377 1.672 -32.042 435 HG1 THR 56 HG1 THR 56 25.446 1.153 -30.932 436 HG21 THR 56 3HG2 THR 56 25.120 3.341 -31.528 437 HG22 THR 56 1HG2 THR 56 24.417 3.571 -29.926 438 HG23 THR 56 2HG2 THR 56 23.500 4.018 -31.365 439 H ASP 57 H ASP 57 20.980 1.674 -32.361 440 HA ASP 57 HA ASP 57 20.154 4.333 -32.689 441 HB2 ASP 57 2HB ASP 57 18.998 1.746 -33.747 442 HB3 ASP 57 3HB ASP 57 18.391 3.330 -34.226 443 H ASP 58 H ASP 58 18.388 1.576 -31.289 444 HA ASP 58 HA ASP 58 15.993 2.874 -30.681 445 HB2 ASP 58 2HB ASP 58 17.317 0.636 -29.124 446 HB3 ASP 58 3HB ASP 58 15.609 1.064 -29.072 447 H ALA 59 H ALA 59 18.965 2.577 -28.743 448 HA ALA 59 HA ALA 59 18.064 3.806 -26.391 449 HB1 ALA 59 3HB ALA 59 20.414 4.207 -25.884 450 HB2 ALA 59 1HB ALA 59 20.848 3.886 -27.564 451 HB3 ALA 59 2HB ALA 59 20.191 2.594 -26.560 452 H ILE 60 H ILE 60 19.857 5.303 -29.110 453 HA ILE 60 HA ILE 60 19.764 7.944 -28.171 454 HB ILE 60 HB ILE 60 19.824 7.006 -31.052 455 HG12 ILE 60 2HG1 ILE 60 22.091 7.702 -29.157 456 HG13 ILE 60 3HG1 ILE 60 21.659 6.078 -29.681 457 HG21 ILE 60 1HG2 ILE 60 19.209 9.356 -30.907 458 HG22 ILE 60 2HG2 ILE 60 20.848 9.193 -31.534 459 HG23 ILE 60 3HG2 ILE 60 20.590 9.677 -29.857 460 HD11 ILE 60 3HD1 ILE 60 22.245 6.652 -31.973 461 HD12 ILE 60 1HD1 ILE 60 23.599 6.924 -30.876 462 HD13 ILE 60 2HD1 ILE 60 22.654 8.291 -31.466 463 H ASP 61 H ASP 61 17.509 6.206 -30.308 464 HA ASP 61 HA ASP 61 15.717 8.280 -30.855 465 HB2 ASP 61 2HB ASP 61 15.756 6.021 -31.941 466 HB3 ASP 61 3HB ASP 61 15.051 5.346 -30.477 467 H THR 62 H THR 62 15.777 5.972 -28.154 468 HA THR 62 HA THR 62 13.432 6.782 -26.836 469 HB THR 62 HB THR 62 15.968 5.609 -25.660 470 HG1 THR 62 HG1 THR 62 14.905 4.248 -27.160 471 HG21 THR 62 3HG2 THR 62 14.577 4.939 -23.749 472 HG22 THR 62 1HG2 THR 62 13.210 5.819 -24.430 473 HG23 THR 62 2HG2 THR 62 14.647 6.695 -23.901 474 H TYR 63 H TYR 63 16.802 7.881 -26.385 475 HA TYR 63 HA TYR 63 16.260 9.776 -24.367 476 HB2 TYR 63 2HB TYR 63 18.477 9.744 -26.431 477 HB3 TYR 63 3HB TYR 63 18.426 10.824 -25.041 478 HD1 TYR 63 HD2 TYR 63 17.856 9.362 -22.750 479 HD2 TYR 63 HD1 TYR 63 19.963 7.991 -26.189 480 HE1 TYR 63 HE2 TYR 63 18.981 7.661 -21.379 481 HE2 TYR 63 HE1 TYR 63 21.092 6.288 -24.824 482 HH TYR 63 HH TYR 63 21.591 5.702 -22.651 483 H ALA 64 H ALA 64 16.205 10.039 -27.899 484 HA ALA 64 HA ALA 64 15.972 12.805 -28.163 485 HB1 ALA 64 3HB ALA 64 14.711 10.689 -29.913 486 HB2 ALA 64 1HB ALA 64 16.370 11.276 -30.041 487 HB3 ALA 64 2HB ALA 64 15.022 12.367 -30.363 488 H GLN 65 H GLN 65 13.276 10.423 -28.110 489 HA GLN 65 HA GLN 65 11.222 12.371 -27.930 490 HB2 GLN 65 2HB GLN 65 11.052 9.864 -28.554 491 HB3 GLN 65 3HB GLN 65 10.985 9.566 -26.825 492 HG2 GLN 65 2HG GLN 65 9.062 11.411 -28.229 493 HG3 GLN 65 3HG GLN 65 8.776 9.683 -28.074 494 HE21 GLN 65 1HE2 GLN 65 9.883 9.492 -25.405 495 HE22 GLN 65 2HE2 GLN 65 8.736 10.233 -24.353 496 H GLY 66 H GLY 66 13.086 10.607 -25.509 497 HA2 GLY 66 2HA GLY 66 11.780 11.415 -23.177 498 HA3 GLY 66 3HA GLY 66 13.492 11.040 -23.294 499 H ILE 67 H ILE 67 14.173 13.138 -25.128 500 HA ILE 67 HA ILE 67 14.758 15.267 -23.424 501 HB ILE 67 HB ILE 67 14.711 15.004 -26.421 502 HG12 ILE 67 2HG1 ILE 67 16.962 15.397 -24.428 503 HG13 ILE 67 3HG1 ILE 67 16.483 13.858 -25.135 504 HG21 ILE 67 1HG2 ILE 67 15.505 17.491 -24.910 505 HG22 ILE 67 2HG2 ILE 67 14.155 17.330 -26.031 506 HG23 ILE 67 3HG2 ILE 67 15.811 17.197 -26.621 507 HD11 ILE 67 3HD1 ILE 67 18.463 14.767 -26.206 508 HD12 ILE 67 1HD1 ILE 67 17.572 16.224 -26.643 509 HD13 ILE 67 2HD1 ILE 67 17.116 14.667 -27.339 510 H GLU 68 H GLU 68 12.075 14.864 -25.695 511 HA GLU 68 HA GLU 68 10.992 17.455 -25.481 512 HB2 GLU 68 2HB GLU 68 9.494 14.874 -26.013 513 HB3 GLU 68 3HB GLU 68 8.956 16.498 -26.422 514 HG2 GLU 68 2HG GLU 68 10.885 16.706 -27.963 515 HG3 GLU 68 3HG GLU 68 11.319 15.038 -27.598 516 H VAL 69 H VAL 69 9.972 14.441 -23.836 517 HA VAL 69 HA VAL 69 8.131 15.783 -22.109 518 HB VAL 69 HB VAL 69 7.920 13.661 -20.914 519 HG11 VAL 69 1HG1 VAL 69 8.021 13.320 -23.915 520 HG12 VAL 69 2HG1 VAL 69 6.661 13.927 -22.971 521 HG13 VAL 69 3HG1 VAL 69 7.178 12.251 -22.793 522 HG21 VAL 69 3HG2 VAL 69 10.247 12.953 -20.877 523 HG22 VAL 69 1HG2 VAL 69 10.230 12.721 -22.626 524 HG23 VAL 69 2HG2 VAL 69 9.241 11.692 -21.589 525 H ALA 70 H ALA 70 11.545 15.176 -21.919 526 HA ALA 70 HA ALA 70 11.896 15.299 -19.119 527 HB1 ALA 70 3HB ALA 70 14.239 15.858 -19.615 528 HB2 ALA 70 1HB ALA 70 13.815 16.093 -21.313 529 HB3 ALA 70 2HB ALA 70 13.664 14.497 -20.577 530 H ARG 71 H ARG 71 12.193 17.869 -21.587 531 HA ARG 71 HA ARG 71 12.714 19.909 -19.663 532 HB2 ARG 71 2HB ARG 71 12.442 21.487 -21.532 533 HB3 ARG 71 3HB ARG 71 13.496 20.145 -21.954 534 HG2 ARG 71 2HG ARG 71 11.776 19.115 -23.265 535 HG3 ARG 71 3HG ARG 71 10.580 20.286 -22.707 536 HD2 ARG 71 2HD ARG 71 13.020 20.915 -24.378 537 HD3 ARG 71 3HD ARG 71 11.366 20.794 -24.980 538 HE ARG 71 HE ARG 71 11.629 22.705 -22.863 539 HH11 ARG 71 1HH1 ARG 71 11.988 22.253 -26.268 540 HH12 ARG 71 2HH1 ARG 71 11.832 23.943 -26.601 541 HH21 ARG 71 1HH2 ARG 71 11.418 24.849 -23.326 542 HH22 ARG 71 2HH2 ARG 71 11.515 25.388 -24.966 543 H GLU 72 H GLU 72 9.752 18.802 -21.265 544 HA GLU 72 HA GLU 72 8.213 21.037 -20.216 545 HB2 GLU 72 2HB GLU 72 7.389 18.639 -21.865 546 HB3 GLU 72 3HB GLU 72 6.313 19.956 -21.418 547 HG2 GLU 72 2HG GLU 72 7.739 21.526 -22.658 548 HG3 GLU 72 3HG GLU 72 8.790 20.190 -23.125 549 H GLU 73 H GLU 73 8.136 17.477 -19.818 550 HA GLU 73 HA GLU 73 6.028 17.706 -17.831 551 HB2 GLU 73 2HB GLU 73 7.466 15.238 -18.834 552 HB3 GLU 73 3HB GLU 73 6.000 15.258 -17.864 553 HG2 GLU 73 2HG GLU 73 6.181 16.496 -20.604 554 HG3 GLU 73 3HG GLU 73 5.703 14.824 -20.328 555 H GLY 74 H GLY 74 9.404 16.566 -17.902 556 HA2 GLY 74 2HA GLY 74 9.388 16.154 -15.008 557 HA3 GLY 74 3HA GLY 74 10.695 15.762 -16.109 558 H THR 75 H THR 75 12.326 17.223 -16.438 559 HA THR 75 HA THR 75 12.179 19.971 -15.702 560 HB THR 75 HB THR 75 12.299 19.198 -13.424 561 HG1 THR 75 HG1 THR 75 13.947 20.481 -12.846 562 HG21 THR 75 3HG2 THR 75 13.193 16.946 -13.835 563 HG22 THR 75 1HG2 THR 75 14.121 17.786 -12.592 564 HG23 THR 75 2HG2 THR 75 14.767 17.641 -14.227 565 H GLN 76 H GLN 76 14.180 21.118 -16.025 566 HA GLN 76 HA GLN 76 15.574 20.334 -18.318 567 HB2 GLN 76 2HB GLN 76 15.292 22.679 -17.522 568 HB3 GLN 76 3HB GLN 76 16.463 22.363 -16.249 569 HG2 GLN 76 2HG GLN 76 18.192 21.950 -17.928 570 HG3 GLN 76 3HG GLN 76 17.018 22.226 -19.213 571 HE21 GLN 76 1HE2 GLN 76 16.265 24.330 -19.577 572 HE22 GLN 76 2HE2 GLN 76 17.116 25.712 -18.984 573 H LYS 77 H LYS 77 16.218 19.609 -14.985 574 HA LYS 77 HA LYS 77 18.965 18.976 -15.172 575 HB2 LYS 77 2HB LYS 77 17.847 19.273 -13.030 576 HB3 LYS 77 3HB LYS 77 16.837 17.866 -13.332 577 HG2 LYS 77 2HG LYS 77 18.790 16.415 -13.252 578 HG3 LYS 77 3HG LYS 77 19.840 17.815 -13.019 579 HD2 LYS 77 2HD LYS 77 17.633 16.957 -11.137 580 HD3 LYS 77 3HD LYS 77 19.352 16.629 -10.903 581 HE2 LYS 77 2HE LYS 77 19.837 18.975 -10.713 582 HE3 LYS 77 3HE LYS 77 18.189 19.404 -11.171 583 HZ1 LYS 77 3HZ LYS 77 17.381 18.443 -9.139 584 HZ2 LYS 77 1HZ LYS 77 18.584 19.574 -8.779 585 HZ3 LYS 77 2HZ LYS 77 18.930 17.918 -8.708 586 H ASP 78 H ASP 78 16.102 16.810 -15.334 587 HA ASP 78 HA ASP 78 17.533 14.503 -16.118 588 HB2 ASP 78 2HB ASP 78 14.642 15.310 -16.485 589 HB3 ASP 78 3HB ASP 78 15.262 13.735 -16.974 590 H LEU 79 H LEU 79 16.050 17.120 -17.978 591 HA LEU 79 HA LEU 79 16.436 16.246 -20.579 592 HB2 LEU 79 2HB LEU 79 15.325 18.343 -20.066 593 HB3 LEU 79 3HB LEU 79 16.804 19.008 -19.403 594 HG LEU 79 HG LEU 79 17.821 18.921 -21.676 595 HD11 LEU 79 1HD1 LEU 79 16.427 17.121 -22.586 596 HD12 LEU 79 2HD1 LEU 79 16.409 18.556 -23.610 597 HD13 LEU 79 3HD1 LEU 79 15.031 18.200 -22.567 598 HD21 LEU 79 3HD2 LEU 79 15.251 20.498 -21.444 599 HD22 LEU 79 1HD2 LEU 79 16.563 20.830 -22.577 600 HD23 LEU 79 2HD2 LEU 79 16.835 20.989 -20.843 601 H SER 80 H SER 80 18.764 17.929 -18.481 602 HA SER 80 HA SER 80 20.936 17.971 -20.274 603 HB2 SER 80 2HB SER 80 20.996 17.906 -17.241 604 HB3 SER 80 3HB SER 80 22.342 18.374 -18.280 605 HG SER 80 HG SER 80 19.816 19.680 -18.125 606 H GLU 81 H GLU 81 19.864 15.515 -17.976 607 HA GLU 81 HA GLU 81 22.148 13.832 -18.173 608 HB2 GLU 81 2HB GLU 81 19.298 13.100 -17.441 609 HB3 GLU 81 3HB GLU 81 20.717 12.102 -17.152 610 HG2 GLU 81 2HG GLU 81 20.162 14.798 -15.920 611 HG3 GLU 81 3HG GLU 81 19.996 13.235 -15.124 612 H LEU 82 H LEU 82 18.988 13.766 -19.833 613 HA LEU 82 HA LEU 82 19.441 11.407 -21.305 614 HB2 LEU 82 2HB LEU 82 17.647 13.752 -21.937 615 HB3 LEU 82 3HB LEU 82 17.579 12.193 -22.740 616 HG LEU 82 HG LEU 82 17.012 12.693 -19.809 617 HD11 LEU 82 1HD1 LEU 82 15.163 11.982 -22.084 618 HD12 LEU 82 2HD1 LEU 82 15.251 13.540 -21.262 619 HD13 LEU 82 3HD1 LEU 82 14.709 12.110 -20.384 620 HD21 LEU 82 3HD2 LEU 82 16.301 10.344 -19.763 621 HD22 LEU 82 1HD2 LEU 82 18.016 10.504 -20.142 622 HD23 LEU 82 2HD2 LEU 82 16.860 10.147 -21.425 623 H GLN 83 H GLN 83 19.898 14.823 -22.240 624 HA GLN 83 HA GLN 83 20.790 14.373 -24.862 625 HB2 GLN 83 2HB GLN 83 21.582 16.603 -22.968 626 HB3 GLN 83 3HB GLN 83 21.816 16.616 -24.712 627 HG2 GLN 83 2HG GLN 83 19.366 16.468 -25.007 628 HG3 GLN 83 3HG GLN 83 19.174 16.561 -23.259 629 HE21 GLN 83 1HE2 GLN 83 21.415 18.509 -23.044 630 HE22 GLN 83 2HE2 GLN 83 20.751 20.003 -23.593 631 H ASP 84 H ASP 84 22.668 14.690 -21.848 632 HA ASP 84 HA ASP 84 25.209 14.238 -23.012 633 HB2 ASP 84 2HB ASP 84 24.695 15.254 -20.735 634 HB3 ASP 84 3HB ASP 84 24.411 13.614 -20.160 635 H ALA 85 H ALA 85 22.695 12.074 -21.869 636 HA ALA 85 HA ALA 85 24.206 9.692 -21.715 637 HB1 ALA 85 3HB ALA 85 22.077 8.536 -21.711 638 HB2 ALA 85 1HB ALA 85 21.260 9.985 -22.300 639 HB3 ALA 85 2HB ALA 85 21.989 9.973 -20.693 640 H LYS 86 H LYS 86 22.233 11.014 -24.415 641 HA LYS 86 HA LYS 86 23.085 8.934 -26.210 642 HB2 LYS 86 2HB LYS 86 21.979 10.175 -27.975 643 HB3 LYS 86 3HB LYS 86 20.944 10.084 -26.559 644 HG2 LYS 86 2HG LYS 86 21.386 12.371 -26.003 645 HG3 LYS 86 3HG LYS 86 22.625 12.491 -27.256 646 HD2 LYS 86 2HD LYS 86 20.875 12.061 -28.970 647 HD3 LYS 86 3HD LYS 86 19.663 12.049 -27.686 648 HE2 LYS 86 2HE LYS 86 20.084 14.352 -27.176 649 HE3 LYS 86 3HE LYS 86 21.478 14.395 -28.253 650 HZ1 LYS 86 3HZ LYS 86 19.580 15.438 -29.281 651 HZ2 LYS 86 1HZ LYS 86 18.643 14.044 -29.076 652 HZ3 LYS 86 2HZ LYS 86 19.968 14.021 -30.122 653 H LEU 87 H LEU 87 24.290 12.101 -25.342 654 HA LEU 87 HA LEU 87 25.952 12.712 -27.476 655 HB2 LEU 87 2HB LEU 87 25.521 14.219 -25.591 656 HB3 LEU 87 3HB LEU 87 26.445 13.175 -24.528 657 HG LEU 87 HG LEU 87 28.488 13.672 -25.856 658 HD11 LEU 87 1HD1 LEU 87 28.463 15.534 -27.445 659 HD12 LEU 87 2HD1 LEU 87 26.708 15.636 -27.299 660 HD13 LEU 87 3HD1 LEU 87 27.454 14.195 -27.990 661 HD21 LEU 87 3HD2 LEU 87 28.768 15.987 -25.053 662 HD22 LEU 87 1HD2 LEU 87 28.040 14.939 -23.835 663 HD23 LEU 87 2HD2 LEU 87 27.035 16.074 -24.737 664 H LYS 88 H LYS 88 26.766 10.744 -24.598 665 HA LYS 88 HA LYS 88 29.392 10.102 -25.384 666 HB2 LYS 88 2HB LYS 88 29.224 8.211 -23.790 667 HB3 LYS 88 3HB LYS 88 28.689 9.737 -23.100 668 HG2 LYS 88 2HG LYS 88 26.399 9.112 -23.287 669 HG3 LYS 88 3HG LYS 88 26.806 7.683 -24.239 670 HD2 LYS 88 2HD LYS 88 27.884 6.660 -22.335 671 HD3 LYS 88 3HD LYS 88 27.667 8.127 -21.374 672 HE2 LYS 88 2HE LYS 88 26.015 6.309 -20.886 673 HE3 LYS 88 3HE LYS 88 25.292 7.848 -21.353 674 HZ1 LYS 88 3HZ LYS 88 24.248 5.931 -22.442 675 HZ2 LYS 88 1HZ LYS 88 25.712 5.552 -23.192 676 HZ3 LYS 88 2HZ LYS 88 24.922 7.004 -23.558 677 H ALA 89 H ALA 89 26.301 8.577 -26.219 678 HA ALA 89 HA ALA 89 27.248 6.169 -27.297 679 HB1 ALA 89 3HB ALA 89 24.861 7.765 -28.244 680 HB2 ALA 89 1HB ALA 89 24.864 6.643 -26.882 681 HB3 ALA 89 2HB ALA 89 25.149 6.046 -28.517 682 H GLU 90 H GLU 90 26.722 9.308 -28.882 683 HA GLU 90 HA GLU 90 27.646 8.720 -31.442 684 HB2 GLU 90 2HB GLU 90 27.926 11.272 -29.832 685 HB3 GLU 90 3HB GLU 90 28.216 11.155 -31.563 686 HG2 GLU 90 2HG GLU 90 25.582 10.358 -30.363 687 HG3 GLU 90 3HG GLU 90 25.945 12.036 -30.753 688 H GLY 91 H GLY 91 29.443 9.387 -28.495 689 HA2 GLY 91 2HA GLY 91 32.021 9.437 -29.820 690 HA3 GLY 91 3HA GLY 91 31.730 9.509 -28.090 691 H LEU 92 H LEU 92 29.985 6.999 -28.421 692 HA LEU 92 HA LEU 92 32.053 5.081 -27.903 693 HB2 LEU 92 2HB LEU 92 29.072 4.748 -28.280 694 HB3 LEU 92 3HB LEU 92 30.150 3.454 -27.793 695 HG LEU 92 HG LEU 92 29.654 5.985 -26.210 696 HD11 LEU 92 1HD1 LEU 92 27.686 4.535 -26.246 697 HD12 LEU 92 2HD1 LEU 92 28.441 4.549 -24.652 698 HD13 LEU 92 3HD1 LEU 92 28.676 3.170 -25.726 699 HD21 LEU 92 3HD2 LEU 92 31.232 3.501 -25.526 700 HD22 LEU 92 1HD2 LEU 92 30.894 4.840 -24.429 701 HD23 LEU 92 2HD2 LEU 92 31.897 5.101 -25.855 702 H GLU 93 H GLU 93 29.987 5.844 -30.646 703 HA GLU 93 HA GLU 93 31.752 4.343 -32.385 704 HB2 GLU 93 2HB GLU 93 29.836 3.114 -33.461 705 HB3 GLU 93 3HB GLU 93 30.270 2.567 -31.847 706 HG2 GLU 93 2HG GLU 93 28.384 3.829 -30.916 707 HG3 GLU 93 3HG GLU 93 27.948 4.366 -32.538 708 H HIS 94 H HIS 94 32.285 5.924 -33.747 709 HA HIS 94 HA HIS 94 30.297 7.774 -34.810 710 HB2 HIS 94 2HB HIS 94 33.261 7.483 -35.387 711 HB3 HIS 94 3HB HIS 94 32.230 8.748 -36.047 712 HD1 HIS 94 HD1 HIS 94 31.657 10.714 -34.529 713 HD2 HIS 94 HD2 HIS 94 33.873 7.761 -32.628 714 HE1 HIS 94 HE1 HIS 94 32.391 11.722 -32.356 715 HE2 HIS 94 HE2 HIS 94 33.925 10.004 -31.348 716 H HIS 95 H HIS 95 28.980 6.970 -36.365 717 HA HIS 95 HA HIS 95 29.715 4.712 -37.969 718 HB2 HIS 95 2HB HIS 95 27.322 6.559 -38.180 719 HB3 HIS 95 3HB HIS 95 27.515 5.056 -39.075 720 HD1 HIS 95 HD1 HIS 95 25.965 3.401 -38.070 721 HD2 HIS 95 HD2 HIS 95 27.840 5.709 -35.166 722 HE1 HIS 95 HE1 HIS 95 25.163 2.503 -35.878 723 HE2 HIS 95 HE2 HIS 95 26.489 3.749 -34.153 724 H HIS 96 H HIS 96 31.712 5.768 -38.832 725 HA HIS 96 HA HIS 96 31.371 7.764 -40.902 726 HB2 HIS 96 2HB HIS 96 33.808 7.519 -41.248 727 HB3 HIS 96 3HB HIS 96 33.399 7.827 -39.565 728 HD1 HIS 96 HD1 HIS 96 34.773 5.186 -41.839 729 HD2 HIS 96 HD2 HIS 96 34.042 5.754 -37.784 730 HE1 HIS 96 HE1 HIS 96 35.948 3.299 -40.670 731 HE2 HIS 96 HE2 HIS 96 35.586 3.727 -38.217 732 H HIS 97 H HIS 97 29.767 5.743 -41.569 733 HA HIS 97 HA HIS 97 30.882 4.846 -44.095 734 HB2 HIS 97 2HB HIS 97 29.896 2.515 -43.714 735 HB3 HIS 97 3HB HIS 97 31.396 2.890 -42.877 736 HD1 HIS 97 HD1 HIS 97 27.681 3.200 -42.001 737 HD2 HIS 97 HD2 HIS 97 31.299 1.992 -40.350 738 HE1 HIS 97 HE1 HIS 97 27.133 2.383 -39.696 739 HE2 HIS 97 HE2 HIS 97 29.296 1.464 -38.807 740 H HIS 98 H HIS 98 29.325 4.562 -45.716 741 HA HIS 98 HA HIS 98 27.447 5.154 -46.854 742 HB2 HIS 98 2HB HIS 98 26.092 4.546 -44.215 743 HB3 HIS 98 3HB HIS 98 25.219 4.933 -45.693 744 HD1 HIS 98 HD1 HIS 98 24.672 3.012 -47.174 745 HD2 HIS 98 HD2 HIS 98 27.675 2.083 -44.461 746 HE1 HIS 98 HE1 HIS 98 25.107 0.559 -47.471 747 HE2 HIS 98 HE2 HIS 98 26.974 0.032 -45.870 748 H HIS 99 H HIS 99 28.964 7.045 -44.934 749 HA HIS 99 HA HIS 99 28.986 9.201 -44.264 750 HB2 HIS 99 2HB HIS 99 28.735 9.452 -46.740 751 HB3 HIS 99 3HB HIS 99 27.000 9.640 -46.502 752 HD1 HIS 99 HD1 HIS 99 26.216 11.822 -45.273 753 HD2 HIS 99 HD2 HIS 99 30.260 11.709 -46.213 754 HE1 HIS 99 HE1 HIS 99 27.035 14.176 -44.997 755 HE2 HIS 99 HE2 HIS 99 29.441 14.111 -45.709 Start of MODEL 19 1 H1 GLU 1 1H GLU 1 2.521 -2.283 -0.582 2 H2 GLU 1 2H GLU 1 1.631 -0.968 -1.163 3 H3 GLU 1 3H GLU 1 3.041 -0.702 -0.269 4 HA GLU 1 HA GLU 1 3.436 -0.323 -2.605 5 HB2 GLU 1 2HB GLU 1 4.764 -2.818 -1.525 6 HB3 GLU 1 3HB GLU 1 5.359 -1.869 -2.880 7 HG2 GLU 1 2HG GLU 1 5.618 0.069 -1.382 8 HG3 GLU 1 3HG GLU 1 5.081 -0.927 -0.030 9 H ASP 2 H ASP 2 1.923 -0.627 -4.196 10 HA ASP 2 HA ASP 2 1.398 -3.383 -5.096 11 HB2 ASP 2 2HB ASP 2 -0.037 -0.798 -5.774 12 HB3 ASP 2 3HB ASP 2 -0.500 -2.404 -6.334 13 HA PRO 3 HA PRO 3 4.027 -2.902 -8.655 14 HB2 PRO 3 2HB PRO 3 2.552 -4.342 -10.501 15 HB3 PRO 3 3HB PRO 3 3.632 -5.059 -9.302 16 HG2 PRO 3 2HG PRO 3 0.655 -4.715 -9.207 17 HG3 PRO 3 3HG PRO 3 1.635 -6.109 -8.715 18 HD2 PRO 3 2HD PRO 3 0.647 -4.403 -6.902 19 HD3 PRO 3 3HD PRO 3 2.262 -5.117 -6.700 20 H GLU 4 H GLU 4 0.796 -1.799 -8.541 21 HA GLU 4 HA GLU 4 0.663 -0.579 -11.132 22 HB2 GLU 4 2HB GLU 4 -0.984 0.077 -8.681 23 HB3 GLU 4 3HB GLU 4 -1.408 0.379 -10.362 24 HG2 GLU 4 2HG GLU 4 -1.093 -2.337 -9.091 25 HG3 GLU 4 3HG GLU 4 -2.622 -1.529 -9.424 26 H ASP 5 H ASP 5 1.693 0.466 -7.925 27 HA ASP 5 HA ASP 5 1.647 3.251 -8.332 28 HB2 ASP 5 2HB ASP 5 3.558 1.695 -6.573 29 HB3 ASP 5 3HB ASP 5 3.152 3.401 -6.419 30 HA PRO 6 HA PRO 6 4.679 3.898 -11.509 31 HB2 PRO 6 2HB PRO 6 5.577 6.384 -10.485 32 HB3 PRO 6 3HB PRO 6 4.327 6.124 -11.703 33 HG2 PRO 6 2HG PRO 6 4.049 6.600 -8.775 34 HG3 PRO 6 3HG PRO 6 2.984 7.097 -10.102 35 HD2 PRO 6 2HD PRO 6 2.315 5.079 -8.477 36 HD3 PRO 6 3HD PRO 6 1.951 5.010 -10.217 37 H PHE 7 H PHE 7 5.791 4.891 -8.242 38 HA PHE 7 HA PHE 7 8.540 4.439 -8.844 39 HB2 PHE 7 2HB PHE 7 7.872 6.004 -7.085 40 HB3 PHE 7 3HB PHE 7 7.162 4.688 -6.155 41 HD1 PHE 7 HD2 PHE 7 10.386 5.917 -7.547 42 HD2 PHE 7 HD1 PHE 7 8.466 3.476 -4.626 43 HE1 PHE 7 HE2 PHE 7 12.552 5.538 -6.446 44 HE2 PHE 7 HE1 PHE 7 10.634 3.094 -3.521 45 HZ PHE 7 HZ PHE 7 12.679 4.124 -4.433 46 H THR 8 H THR 8 6.083 2.465 -7.183 47 HA THR 8 HA THR 8 7.762 0.427 -6.255 48 HB THR 8 HB THR 8 4.885 0.131 -7.166 49 HG1 THR 8 HG1 THR 8 4.332 0.807 -5.179 50 HG21 THR 8 3HG2 THR 8 6.528 -1.594 -5.295 51 HG22 THR 8 1HG2 THR 8 6.027 -2.037 -6.928 52 HG23 THR 8 2HG2 THR 8 4.817 -1.808 -5.666 53 H ARG 9 H ARG 9 5.835 0.423 -9.290 54 HA ARG 9 HA ARG 9 6.911 -1.966 -10.328 55 HB2 ARG 9 2HB ARG 9 6.085 -1.104 -12.541 56 HB3 ARG 9 3HB ARG 9 4.888 -1.117 -11.254 57 HG2 ARG 9 2HG ARG 9 5.602 1.361 -10.909 58 HG3 ARG 9 3HG ARG 9 6.255 1.210 -12.540 59 HD2 ARG 9 2HD ARG 9 3.406 0.529 -11.822 60 HD3 ARG 9 3HD ARG 9 3.910 2.124 -12.372 61 HE ARG 9 HE ARG 9 4.365 1.225 -14.502 62 HH11 ARG 9 1HH1 ARG 9 3.042 -1.153 -12.374 63 HH12 ARG 9 2HH1 ARG 9 2.500 -2.154 -13.672 64 HH21 ARG 9 1HH2 ARG 9 3.645 -0.047 -16.127 65 HH22 ARG 9 2HH2 ARG 9 2.873 -1.553 -15.778 66 H TYR 10 H TYR 10 8.038 1.371 -10.581 67 HA TYR 10 HA TYR 10 10.162 1.005 -12.385 68 HB2 TYR 10 2HB TYR 10 9.354 3.207 -11.636 69 HB3 TYR 10 3HB TYR 10 9.938 2.881 -10.011 70 HD1 TYR 10 HD2 TYR 10 10.903 3.797 -13.432 71 HD2 TYR 10 HD1 TYR 10 12.324 3.015 -9.492 72 HE1 TYR 10 HE2 TYR 10 13.053 4.843 -14.005 73 HE2 TYR 10 HE1 TYR 10 14.475 4.066 -10.056 74 HH TYR 10 HH TYR 10 14.929 6.022 -12.665 75 H ALA 11 H ALA 11 10.040 0.695 -8.847 76 HA ALA 11 HA ALA 11 12.738 -0.043 -8.458 77 HB1 ALA 11 3HB ALA 11 11.316 0.790 -6.646 78 HB2 ALA 11 1HB ALA 11 12.023 -0.772 -6.236 79 HB3 ALA 11 2HB ALA 11 10.335 -0.671 -6.736 80 H LEU 12 H LEU 12 9.787 -2.033 -8.797 81 HA LEU 12 HA LEU 12 10.981 -4.545 -8.501 82 HB2 LEU 12 2HB LEU 12 8.473 -3.571 -9.783 83 HB3 LEU 12 3HB LEU 12 8.987 -5.206 -10.143 84 HG LEU 12 HG LEU 12 7.361 -5.177 -8.322 85 HD11 LEU 12 1HD1 LEU 12 8.601 -6.503 -6.700 86 HD12 LEU 12 2HD1 LEU 12 10.126 -5.918 -7.366 87 HD13 LEU 12 3HD1 LEU 12 9.062 -6.927 -8.348 88 HD21 LEU 12 3HD2 LEU 12 7.926 -4.202 -6.140 89 HD22 LEU 12 1HD2 LEU 12 7.808 -2.972 -7.397 90 HD23 LEU 12 2HD2 LEU 12 9.392 -3.506 -6.833 91 H ALA 13 H ALA 13 10.698 -2.498 -11.377 92 HA ALA 13 HA ALA 13 11.727 -4.262 -13.286 93 HB1 ALA 13 3HB ALA 13 12.415 -2.278 -14.535 94 HB2 ALA 13 1HB ALA 13 12.202 -1.283 -13.093 95 HB3 ALA 13 2HB ALA 13 10.807 -2.057 -13.844 96 H GLN 14 H GLN 14 13.452 -2.088 -11.056 97 HA GLN 14 HA GLN 14 16.072 -2.826 -11.835 98 HB2 GLN 14 2HB GLN 14 15.128 -1.766 -9.158 99 HB3 GLN 14 3HB GLN 14 16.789 -1.770 -9.738 100 HG2 GLN 14 2HG GLN 14 16.144 -0.256 -11.565 101 HG3 GLN 14 3HG GLN 14 14.492 -0.238 -10.952 102 HE21 GLN 14 1HE2 GLN 14 17.752 0.818 -10.411 103 HE22 GLN 14 2HE2 GLN 14 17.383 1.988 -9.198 104 H GLU 15 H GLU 15 13.826 -4.179 -9.457 105 HA GLU 15 HA GLU 15 15.573 -6.021 -8.239 106 HB2 GLU 15 2HB GLU 15 12.604 -6.347 -8.756 107 HB3 GLU 15 3HB GLU 15 13.553 -7.270 -7.599 108 HG2 GLU 15 2HG GLU 15 12.997 -4.307 -7.492 109 HG3 GLU 15 3HG GLU 15 12.254 -5.547 -6.486 110 H HIS 16 H HIS 16 13.551 -6.303 -11.154 111 HA HIS 16 HA HIS 16 14.233 -8.943 -11.842 112 HB2 HIS 16 2HB HIS 16 13.461 -6.587 -13.576 113 HB3 HIS 16 3HB HIS 16 13.706 -8.208 -14.219 114 HD1 HIS 16 HD1 HIS 16 12.142 -10.075 -12.765 115 HD2 HIS 16 HD2 HIS 16 10.856 -6.134 -13.030 116 HE1 HIS 16 HE1 HIS 16 9.684 -10.137 -12.294 117 HE2 HIS 16 HE2 HIS 16 8.898 -7.777 -12.620 118 H LEU 17 H LEU 17 15.864 -5.872 -12.561 119 HA LEU 17 HA LEU 17 17.898 -6.853 -14.229 120 HB2 LEU 17 2HB LEU 17 17.957 -4.543 -12.279 121 HB3 LEU 17 3HB LEU 17 19.192 -4.848 -13.488 122 HG LEU 17 HG LEU 17 16.290 -4.214 -14.067 123 HD11 LEU 17 1HD1 LEU 17 17.130 -2.079 -14.903 124 HD12 LEU 17 2HD1 LEU 17 18.767 -2.518 -14.410 125 HD13 LEU 17 3HD1 LEU 17 17.510 -2.286 -13.194 126 HD21 LEU 17 3HD2 LEU 17 17.212 -5.665 -15.777 127 HD22 LEU 17 1HD2 LEU 17 18.635 -4.632 -15.930 128 HD23 LEU 17 2HD2 LEU 17 17.048 -4.029 -16.414 129 H LYS 18 H LYS 18 17.721 -6.690 -10.681 130 HA LYS 18 HA LYS 18 20.283 -7.560 -10.016 131 HB2 LYS 18 2HB LYS 18 17.628 -8.137 -8.687 132 HB3 LYS 18 3HB LYS 18 19.168 -8.621 -7.990 133 HG2 LYS 18 2HG LYS 18 19.857 -6.262 -7.901 134 HG3 LYS 18 3HG LYS 18 18.289 -5.792 -8.567 135 HD2 LYS 18 2HD LYS 18 17.142 -6.681 -6.638 136 HD3 LYS 18 3HD LYS 18 18.644 -7.348 -5.998 137 HE2 LYS 18 2HE LYS 18 18.018 -5.294 -4.831 138 HE3 LYS 18 3HE LYS 18 19.534 -5.091 -5.709 139 HZ1 LYS 18 3HZ LYS 18 16.873 -4.188 -6.670 140 HZ2 LYS 18 1HZ LYS 18 18.356 -3.926 -7.442 141 HZ3 LYS 18 2HZ LYS 18 18.035 -3.191 -5.954 142 H HIS 19 H HIS 19 17.446 -9.475 -10.942 143 HA HIS 19 HA HIS 19 18.992 -11.961 -10.817 144 HB2 HIS 19 2HB HIS 19 16.072 -11.535 -11.518 145 HB3 HIS 19 3HB HIS 19 16.856 -13.086 -11.230 146 HD1 HIS 19 HD1 HIS 19 17.707 -13.504 -8.722 147 HD2 HIS 19 HD2 HIS 19 15.141 -10.276 -9.258 148 HE1 HIS 19 HE1 HIS 19 16.902 -12.891 -6.426 149 HE2 HIS 19 HE2 HIS 19 15.218 -11.059 -6.795 150 H ASP 20 H ASP 20 19.181 -9.676 -12.873 151 HA ASP 20 HA ASP 20 19.909 -9.469 -14.991 152 HB2 ASP 20 2HB ASP 20 21.231 -11.508 -14.338 153 HB3 ASP 20 3HB ASP 20 19.987 -12.489 -15.111 154 H ASN 21 H ASN 21 16.916 -10.303 -14.330 155 HA ASN 21 HA ASN 21 15.954 -11.167 -16.906 156 HB2 ASN 21 2HB ASN 21 14.461 -9.985 -14.550 157 HB3 ASN 21 3HB ASN 21 13.701 -10.679 -15.980 158 HD21 ASN 21 1HD2 ASN 21 13.920 -12.930 -16.344 159 HD22 ASN 21 2HD2 ASN 21 14.259 -14.001 -15.035 160 H ALA 22 H ALA 22 17.322 -9.409 -17.916 161 HA ALA 22 HA ALA 22 16.702 -6.677 -17.703 162 HB1 ALA 22 3HB ALA 22 18.035 -6.382 -19.704 163 HB2 ALA 22 1HB ALA 22 17.926 -8.106 -20.063 164 HB3 ALA 22 2HB ALA 22 18.808 -7.555 -18.638 165 H SER 23 H SER 23 15.519 -9.160 -19.948 166 HA SER 23 HA SER 23 14.049 -7.467 -21.647 167 HB2 SER 23 2HB SER 23 14.526 -9.766 -22.274 168 HB3 SER 23 3HB SER 23 13.559 -10.368 -20.929 169 HG SER 23 HG SER 23 12.221 -10.451 -22.647 170 H ARG 24 H ARG 24 12.926 -9.326 -18.799 171 HA ARG 24 HA ARG 24 10.256 -8.407 -18.898 172 HB2 ARG 24 2HB ARG 24 11.827 -9.402 -16.507 173 HB3 ARG 24 3HB ARG 24 10.079 -9.225 -16.573 174 HG2 ARG 24 2HG ARG 24 11.740 -11.095 -18.258 175 HG3 ARG 24 3HG ARG 24 10.734 -11.545 -16.883 176 HD2 ARG 24 2HD ARG 24 8.742 -10.748 -18.108 177 HD3 ARG 24 3HD ARG 24 9.766 -10.357 -19.492 178 HE ARG 24 HE ARG 24 10.185 -13.036 -18.832 179 HH11 ARG 24 1HH1 ARG 24 7.659 -11.050 -20.056 180 HH12 ARG 24 2HH1 ARG 24 6.911 -12.343 -20.925 181 HH21 ARG 24 1HH2 ARG 24 9.214 -14.699 -19.947 182 HH22 ARG 24 2HH2 ARG 24 7.781 -14.389 -20.863 183 H ALA 25 H ALA 25 13.116 -7.135 -17.222 184 HA ALA 25 HA ALA 25 11.809 -5.019 -15.853 185 HB1 ALA 25 3HB ALA 25 14.666 -5.124 -16.840 186 HB2 ALA 25 1HB ALA 25 14.089 -5.789 -15.311 187 HB3 ALA 25 2HB ALA 25 14.025 -4.049 -15.595 188 H LEU 26 H LEU 26 13.410 -5.188 -18.997 189 HA LEU 26 HA LEU 26 13.173 -2.555 -19.857 190 HB2 LEU 26 2HB LEU 26 14.469 -4.396 -20.950 191 HB3 LEU 26 3HB LEU 26 12.959 -5.059 -21.543 192 HG LEU 26 HG LEU 26 12.596 -2.967 -22.849 193 HD11 LEU 26 1HD1 LEU 26 14.434 -1.399 -23.141 194 HD12 LEU 26 2HD1 LEU 26 15.408 -2.292 -21.973 195 HD13 LEU 26 3HD1 LEU 26 13.943 -1.462 -21.450 196 HD21 LEU 26 3HD2 LEU 26 13.601 -4.952 -23.877 197 HD22 LEU 26 1HD2 LEU 26 15.205 -4.393 -23.399 198 HD23 LEU 26 2HD2 LEU 26 14.257 -3.469 -24.568 199 H ALA 27 H ALA 27 10.914 -5.268 -20.255 200 HA ALA 27 HA ALA 27 8.902 -3.986 -21.691 201 HB1 ALA 27 3HB ALA 27 7.411 -5.736 -20.859 202 HB2 ALA 27 1HB ALA 27 8.593 -6.163 -19.620 203 HB3 ALA 27 2HB ALA 27 8.975 -6.404 -21.324 204 H LEU 28 H LEU 28 9.374 -4.150 -18.159 205 HA LEU 28 HA LEU 28 7.046 -2.750 -17.415 206 HB2 LEU 28 2HB LEU 28 9.725 -2.979 -16.042 207 HB3 LEU 28 3HB LEU 28 8.332 -2.206 -15.310 208 HG LEU 28 HG LEU 28 8.504 -5.114 -16.128 209 HD11 LEU 28 1HD1 LEU 28 8.470 -5.573 -13.732 210 HD12 LEU 28 2HD1 LEU 28 8.470 -3.843 -13.388 211 HD13 LEU 28 3HD1 LEU 28 9.866 -4.589 -14.166 212 HD21 LEU 28 3HD2 LEU 28 6.338 -5.362 -15.031 213 HD22 LEU 28 1HD2 LEU 28 6.234 -4.221 -16.370 214 HD23 LEU 28 2HD2 LEU 28 6.287 -3.627 -14.709 215 H PHE 29 H PHE 29 10.351 -1.543 -18.059 216 HA PHE 29 HA PHE 29 9.814 1.174 -17.581 217 HB2 PHE 29 2HB PHE 29 11.849 -0.142 -19.387 218 HB3 PHE 29 3HB PHE 29 11.784 1.597 -19.129 219 HD1 PHE 29 HD1 PHE 29 11.675 2.251 -16.515 220 HD2 PHE 29 HD2 PHE 29 13.376 -1.313 -18.121 221 HE1 PHE 29 HE1 PHE 29 13.091 2.025 -14.513 222 HE2 PHE 29 HE2 PHE 29 14.788 -1.543 -16.120 223 HZ PHE 29 HZ PHE 29 14.648 0.127 -14.315 224 H GLU 30 H GLU 30 9.623 -0.680 -20.635 225 HA GLU 30 HA GLU 30 8.788 1.422 -22.290 226 HB2 GLU 30 2HB GLU 30 8.189 -1.540 -22.425 227 HB3 GLU 30 3HB GLU 30 7.709 -0.407 -23.680 228 HG2 GLU 30 2HG GLU 30 10.105 0.199 -23.972 229 HG3 GLU 30 3HG GLU 30 10.518 -1.072 -22.820 230 H GLU 31 H GLU 31 6.885 -0.771 -20.252 231 HA GLU 31 HA GLU 31 4.333 0.190 -20.997 232 HB2 GLU 31 2HB GLU 31 4.760 -1.966 -19.836 233 HB3 GLU 31 3HB GLU 31 5.180 -1.080 -18.377 234 HG2 GLU 31 2HG GLU 31 2.944 -0.311 -18.099 235 HG3 GLU 31 3HG GLU 31 2.481 -0.876 -19.705 236 H LEU 32 H LEU 32 6.640 1.245 -18.540 237 HA LEU 32 HA LEU 32 5.050 3.175 -17.247 238 HB2 LEU 32 2HB LEU 32 8.015 2.909 -17.670 239 HB3 LEU 32 3HB LEU 32 7.346 4.288 -16.819 240 HG LEU 32 HG LEU 32 6.920 1.418 -15.963 241 HD11 LEU 32 1HD1 LEU 32 8.558 1.867 -14.203 242 HD12 LEU 32 2HD1 LEU 32 8.871 3.461 -14.890 243 HD13 LEU 32 3HD1 LEU 32 9.290 2.011 -15.802 244 HD21 LEU 32 3HD2 LEU 32 6.374 4.055 -14.594 245 HD22 LEU 32 1HD2 LEU 32 6.199 2.464 -13.850 246 HD23 LEU 32 2HD2 LEU 32 5.170 2.920 -15.206 247 H VAL 33 H VAL 33 6.905 3.346 -20.250 248 HA VAL 33 HA VAL 33 6.848 6.150 -20.586 249 HB VAL 33 HB VAL 33 6.967 4.006 -22.727 250 HG11 VAL 33 1HG1 VAL 33 7.982 5.759 -24.137 251 HG12 VAL 33 2HG1 VAL 33 7.672 6.947 -22.871 252 HG13 VAL 33 3HG1 VAL 33 6.325 6.151 -23.684 253 HG21 VAL 33 3HG2 VAL 33 9.403 4.399 -22.653 254 HG22 VAL 33 1HG2 VAL 33 8.779 3.783 -21.122 255 HG23 VAL 33 2HG2 VAL 33 9.172 5.495 -21.289 256 H GLU 34 H GLU 34 4.688 3.647 -21.967 257 HA GLU 34 HA GLU 34 3.059 5.509 -23.353 258 HB2 GLU 34 2HB GLU 34 1.504 3.619 -23.688 259 HB3 GLU 34 3HB GLU 34 3.165 3.216 -24.096 260 HG2 GLU 34 2HG GLU 34 3.407 2.052 -21.953 261 HG3 GLU 34 3HG GLU 34 1.735 2.448 -21.555 262 H THR 35 H THR 35 2.924 4.275 -20.075 263 HA THR 35 HA THR 35 0.244 5.311 -19.608 264 HB THR 35 HB THR 35 0.545 4.594 -17.283 265 HG1 THR 35 HG1 THR 35 2.664 4.871 -16.806 266 HG21 THR 35 3HG2 THR 35 0.770 2.186 -17.668 267 HG22 THR 35 1HG2 THR 35 1.480 2.496 -19.253 268 HG23 THR 35 2HG2 THR 35 -0.199 2.937 -18.936 269 H ASP 36 H ASP 36 3.501 6.032 -18.325 270 HA ASP 36 HA ASP 36 2.550 8.735 -17.597 271 HB2 ASP 36 2HB ASP 36 4.683 7.042 -16.263 272 HB3 ASP 36 3HB ASP 36 4.328 8.714 -15.844 273 HA PRO 37 HA PRO 37 5.849 9.356 -20.801 274 HB2 PRO 37 2HB PRO 37 4.693 11.459 -22.063 275 HB3 PRO 37 3HB PRO 37 4.236 9.783 -22.398 276 HG2 PRO 37 2HG PRO 37 2.872 11.790 -20.628 277 HG3 PRO 37 3HG PRO 37 2.160 10.681 -21.818 278 HD2 PRO 37 2HD PRO 37 2.175 10.149 -19.149 279 HD3 PRO 37 3HD PRO 37 2.257 8.872 -20.379 280 H ASP 38 H ASP 38 4.574 11.193 -18.248 281 HA ASP 38 HA ASP 38 6.260 13.498 -18.428 282 HB2 ASP 38 2HB ASP 38 4.292 13.790 -17.162 283 HB3 ASP 38 3HB ASP 38 4.527 12.287 -16.279 284 H TYR 39 H TYR 39 6.543 10.321 -16.944 285 HA TYR 39 HA TYR 39 8.552 11.048 -15.060 286 HB2 TYR 39 2HB TYR 39 6.858 9.044 -15.059 287 HB3 TYR 39 3HB TYR 39 8.129 8.210 -15.945 288 HD1 TYR 39 HD1 TYR 39 8.202 10.573 -13.044 289 HD2 TYR 39 HD2 TYR 39 9.165 6.690 -14.506 290 HE1 TYR 39 HE1 TYR 39 9.271 10.035 -10.896 291 HE2 TYR 39 HE2 TYR 39 10.242 6.144 -12.366 292 HH TYR 39 HH TYR 39 11.282 7.353 -10.462 293 H VAL 40 H VAL 40 10.131 12.100 -16.324 294 HA VAL 40 HA VAL 40 11.494 11.079 -18.530 295 HB VAL 40 HB VAL 40 12.641 12.880 -16.379 296 HG11 VAL 40 1HG1 VAL 40 14.135 13.700 -18.159 297 HG12 VAL 40 2HG1 VAL 40 13.478 12.489 -19.259 298 HG13 VAL 40 3HG1 VAL 40 14.381 11.984 -17.832 299 HG21 VAL 40 3HG2 VAL 40 10.541 13.766 -17.273 300 HG22 VAL 40 1HG2 VAL 40 11.161 13.606 -18.916 301 HG23 VAL 40 2HG2 VAL 40 11.912 14.745 -17.796 302 H GLY 41 H GLY 41 12.001 10.448 -15.102 303 HA2 GLY 41 2HA GLY 41 14.467 9.187 -15.096 304 HA3 GLY 41 3HA GLY 41 13.129 8.736 -14.050 305 H THR 42 H THR 42 11.350 7.856 -16.111 306 HA THR 42 HA THR 42 12.153 5.192 -16.526 307 HB THR 42 HB THR 42 10.049 6.785 -18.020 308 HG1 THR 42 HG1 THR 42 8.648 6.004 -16.492 309 HG21 THR 42 3HG2 THR 42 10.700 4.781 -19.272 310 HG22 THR 42 1HG2 THR 42 9.079 4.602 -18.596 311 HG23 THR 42 2HG2 THR 42 10.447 3.791 -17.833 312 H TYR 43 H TYR 43 11.981 7.913 -18.838 313 HA TYR 43 HA TYR 43 12.832 6.588 -21.132 314 HB2 TYR 43 2HB TYR 43 13.299 9.470 -20.324 315 HB3 TYR 43 3HB TYR 43 13.561 8.840 -21.946 316 HD1 TYR 43 HD2 TYR 43 10.983 9.550 -19.390 317 HD2 TYR 43 HD1 TYR 43 11.739 8.520 -23.453 318 HE1 TYR 43 HE2 TYR 43 8.635 10.026 -19.940 319 HE2 TYR 43 HE1 TYR 43 9.394 8.996 -24.014 320 HH TYR 43 HH TYR 43 7.310 10.659 -21.925 321 H TYR 44 H TYR 44 14.822 8.288 -18.705 322 HA TYR 44 HA TYR 44 17.290 7.981 -20.003 323 HB2 TYR 44 2HB TYR 44 16.955 9.533 -18.127 324 HB3 TYR 44 3HB TYR 44 16.754 8.173 -17.026 325 HD1 TYR 44 HD2 TYR 44 19.219 9.717 -19.375 326 HD2 TYR 44 HD1 TYR 44 18.625 7.265 -15.939 327 HE1 TYR 44 HE2 TYR 44 21.645 9.678 -18.986 328 HE2 TYR 44 HE1 TYR 44 21.051 7.222 -15.546 329 HH TYR 44 HH TYR 44 23.217 9.304 -17.196 330 H HIS 45 H HIS 45 15.982 5.992 -17.306 331 HA HIS 45 HA HIS 45 18.138 4.131 -17.396 332 HB2 HIS 45 2HB HIS 45 15.399 3.931 -16.123 333 HB3 HIS 45 3HB HIS 45 16.672 2.731 -15.913 334 HD1 HIS 45 HD1 HIS 45 18.253 3.134 -14.022 335 HD2 HIS 45 HD2 HIS 45 16.234 6.597 -15.128 336 HE1 HIS 45 HE1 HIS 45 18.906 4.862 -12.332 337 HE2 HIS 45 HE2 HIS 45 17.828 6.985 -13.130 338 H LEU 46 H LEU 46 15.015 4.245 -19.001 339 HA LEU 46 HA LEU 46 14.942 1.637 -20.057 340 HB2 LEU 46 2HB LEU 46 13.032 3.155 -20.165 341 HB3 LEU 46 3HB LEU 46 13.922 4.243 -21.212 342 HG LEU 46 HG LEU 46 13.947 2.496 -22.973 343 HD11 LEU 46 1HD1 LEU 46 13.771 0.531 -21.510 344 HD12 LEU 46 2HD1 LEU 46 12.549 0.527 -22.779 345 HD13 LEU 46 3HD1 LEU 46 12.107 0.972 -21.130 346 HD21 LEU 46 3HD2 LEU 46 11.208 3.232 -21.936 347 HD22 LEU 46 1HD2 LEU 46 11.576 2.675 -23.570 348 HD23 LEU 46 2HD2 LEU 46 12.226 4.210 -22.996 349 H GLY 47 H GLY 47 16.265 4.650 -21.444 350 HA2 GLY 47 2HA GLY 47 17.390 3.538 -23.771 351 HA3 GLY 47 3HA GLY 47 17.920 5.020 -22.993 352 H LYS 48 H LYS 48 18.912 4.160 -20.600 353 HA LYS 48 HA LYS 48 21.468 3.209 -21.213 354 HB2 LYS 48 2HB LYS 48 20.072 3.007 -18.531 355 HB3 LYS 48 3HB LYS 48 21.808 2.946 -18.802 356 HG2 LYS 48 2HG LYS 48 20.012 5.316 -19.296 357 HG3 LYS 48 3HG LYS 48 21.110 5.114 -17.936 358 HD2 LYS 48 2HD LYS 48 22.060 5.134 -20.799 359 HD3 LYS 48 3HD LYS 48 21.889 6.608 -19.849 360 HE2 LYS 48 2HE LYS 48 24.171 5.929 -19.723 361 HE3 LYS 48 3HE LYS 48 23.434 5.603 -18.157 362 HZ1 LYS 48 3HZ LYS 48 23.304 3.290 -18.692 363 HZ2 LYS 48 1HZ LYS 48 24.888 3.807 -18.971 364 HZ3 LYS 48 2HZ LYS 48 23.837 3.562 -20.273 365 H LEU 49 H LEU 49 18.586 1.433 -20.164 366 HA LEU 49 HA LEU 49 19.882 -1.087 -19.893 367 HB2 LEU 49 2HB LEU 49 17.712 -0.583 -18.854 368 HB3 LEU 49 3HB LEU 49 16.972 -0.468 -20.439 369 HG LEU 49 HG LEU 49 17.277 -2.837 -20.829 370 HD11 LEU 49 1HD1 LEU 49 18.270 -4.318 -19.155 371 HD12 LEU 49 2HD1 LEU 49 18.702 -2.919 -18.169 372 HD13 LEU 49 3HD1 LEU 49 19.440 -3.144 -19.756 373 HD21 LEU 49 3HD2 LEU 49 15.870 -3.764 -19.052 374 HD22 LEU 49 1HD2 LEU 49 15.294 -2.179 -19.564 375 HD23 LEU 49 2HD2 LEU 49 16.187 -2.346 -18.052 376 H TYR 50 H TYR 50 18.230 0.511 -22.612 377 HA TYR 50 HA TYR 50 18.471 -1.578 -24.477 378 HB2 TYR 50 2HB TYR 50 18.366 1.416 -24.791 379 HB3 TYR 50 3HB TYR 50 18.594 0.370 -26.187 380 HD1 TYR 50 HD1 TYR 50 16.832 -1.843 -25.805 381 HD2 TYR 50 HD2 TYR 50 16.186 2.243 -24.793 382 HE1 TYR 50 HE1 TYR 50 14.409 -2.187 -25.997 383 HE2 TYR 50 HE2 TYR 50 13.756 1.904 -24.977 384 HH TYR 50 HH TYR 50 12.319 -1.130 -25.070 385 H GLU 51 H GLU 51 20.746 1.102 -23.773 386 HA GLU 51 HA GLU 51 22.840 0.410 -25.462 387 HB2 GLU 51 2HB GLU 51 23.164 1.355 -22.599 388 HB3 GLU 51 3HB GLU 51 24.339 1.515 -23.894 389 HG2 GLU 51 2HG GLU 51 22.868 3.064 -25.062 390 HG3 GLU 51 3HG GLU 51 21.656 2.886 -23.791 391 H ARG 52 H ARG 52 22.107 -0.816 -22.230 392 HA ARG 52 HA ARG 52 24.307 -2.487 -21.829 393 HB2 ARG 52 2HB ARG 52 22.462 -1.755 -20.201 394 HB3 ARG 52 3HB ARG 52 21.509 -3.081 -20.852 395 HG2 ARG 52 2HG ARG 52 23.193 -4.677 -20.110 396 HG3 ARG 52 3HG ARG 52 24.198 -3.355 -19.511 397 HD2 ARG 52 2HD ARG 52 22.177 -2.716 -18.068 398 HD3 ARG 52 3HD ARG 52 21.538 -4.309 -18.473 399 HE ARG 52 HE ARG 52 24.088 -4.746 -17.548 400 HH11 ARG 52 1HH1 ARG 52 21.182 -3.390 -16.303 401 HH12 ARG 52 2HH1 ARG 52 21.597 -3.713 -14.660 402 HH21 ARG 52 1HH2 ARG 52 24.627 -5.143 -15.430 403 HH22 ARG 52 2HH2 ARG 52 23.529 -4.698 -14.172 404 H LEU 53 H LEU 53 21.292 -3.060 -23.564 405 HA LEU 53 HA LEU 53 22.048 -5.824 -24.187 406 HB2 LEU 53 2HB LEU 53 19.567 -4.252 -24.919 407 HB3 LEU 53 3HB LEU 53 19.816 -5.963 -25.228 408 HG LEU 53 HG LEU 53 19.622 -4.669 -22.496 409 HD11 LEU 53 1HD1 LEU 53 17.510 -5.897 -22.311 410 HD12 LEU 53 2HD1 LEU 53 17.683 -6.446 -23.979 411 HD13 LEU 53 3HD1 LEU 53 17.478 -4.729 -23.631 412 HD21 LEU 53 3HD2 LEU 53 19.629 -6.959 -21.625 413 HD22 LEU 53 1HD2 LEU 53 21.132 -6.590 -22.468 414 HD23 LEU 53 2HD2 LEU 53 19.904 -7.585 -23.250 415 H ASP 54 H ASP 54 23.293 -3.224 -25.316 416 HA ASP 54 HA ASP 54 24.349 -2.586 -27.214 417 HB2 ASP 54 2HB ASP 54 24.961 -4.986 -27.362 418 HB3 ASP 54 3HB ASP 54 23.511 -5.281 -28.318 419 H ARG 55 H ARG 55 21.225 -2.546 -26.890 420 HA ARG 55 HA ARG 55 20.328 -2.167 -29.611 421 HB2 ARG 55 2HB ARG 55 18.943 -1.518 -26.995 422 HB3 ARG 55 3HB ARG 55 18.185 -1.532 -28.582 423 HG2 ARG 55 2HG ARG 55 19.386 -3.924 -27.184 424 HG3 ARG 55 3HG ARG 55 17.666 -3.550 -27.300 425 HD2 ARG 55 2HD ARG 55 19.535 -4.175 -29.592 426 HD3 ARG 55 3HD ARG 55 18.267 -5.223 -28.950 427 HE ARG 55 HE ARG 55 17.470 -2.612 -29.971 428 HH11 ARG 55 1HH1 ARG 55 17.635 -6.014 -30.488 429 HH12 ARG 55 2HH1 ARG 55 16.423 -5.984 -31.723 430 HH21 ARG 55 1HH2 ARG 55 15.936 -2.580 -31.522 431 HH22 ARG 55 2HH2 ARG 55 15.477 -4.049 -32.316 432 H THR 56 H THR 56 22.266 -0.573 -29.782 433 HA THR 56 HA THR 56 22.348 1.922 -28.568 434 HB THR 56 HB THR 56 23.213 1.274 -31.400 435 HG1 THR 56 HG1 THR 56 25.090 0.556 -30.520 436 HG21 THR 56 3HG2 THR 56 24.138 3.450 -29.510 437 HG22 THR 56 1HG2 THR 56 23.179 3.685 -30.971 438 HG23 THR 56 2HG2 THR 56 24.838 3.097 -31.090 439 H ASP 57 H ASP 57 20.838 1.131 -31.716 440 HA ASP 57 HA ASP 57 19.921 3.715 -32.310 441 HB2 ASP 57 2HB ASP 57 20.051 1.940 -33.990 442 HB3 ASP 57 3HB ASP 57 18.782 1.039 -33.163 443 H ASP 58 H ASP 58 18.246 1.006 -30.710 444 HA ASP 58 HA ASP 58 15.770 2.211 -30.269 445 HB2 ASP 58 2HB ASP 58 17.188 0.279 -28.413 446 HB3 ASP 58 3HB ASP 58 15.450 0.552 -28.515 447 H ALA 59 H ALA 59 18.679 2.206 -28.220 448 HA ALA 59 HA ALA 59 17.711 3.686 -26.062 449 HB1 ALA 59 3HB ALA 59 20.050 4.163 -25.545 450 HB2 ALA 59 1HB ALA 59 20.524 3.670 -27.172 451 HB3 ALA 59 2HB ALA 59 19.856 2.484 -26.049 452 H ILE 60 H ILE 60 19.546 4.882 -28.890 453 HA ILE 60 HA ILE 60 19.509 7.593 -28.246 454 HB ILE 60 HB ILE 60 19.550 6.333 -31.001 455 HG12 ILE 60 2HG1 ILE 60 21.799 7.288 -29.193 456 HG13 ILE 60 3HG1 ILE 60 21.394 5.608 -29.525 457 HG21 ILE 60 1HG2 ILE 60 18.901 8.691 -31.128 458 HG22 ILE 60 2HG2 ILE 60 20.527 8.454 -31.769 459 HG23 ILE 60 3HG2 ILE 60 20.305 9.141 -30.159 460 HD11 ILE 60 3HD1 ILE 60 21.983 5.927 -31.871 461 HD12 ILE 60 1HD1 ILE 60 23.328 6.325 -30.801 462 HD13 ILE 60 2HD1 ILE 60 22.380 7.614 -31.543 463 H ASP 61 H ASP 61 17.177 5.784 -30.263 464 HA ASP 61 HA ASP 61 15.527 8.000 -30.866 465 HB2 ASP 61 2HB ASP 61 15.554 5.769 -32.046 466 HB3 ASP 61 3HB ASP 61 14.652 5.107 -30.686 467 H THR 62 H THR 62 15.563 5.752 -28.148 468 HA THR 62 HA THR 62 13.186 6.648 -26.881 469 HB THR 62 HB THR 62 15.673 5.385 -25.702 470 HG1 THR 62 HG1 THR 62 14.593 3.925 -26.974 471 HG21 THR 62 3HG2 THR 62 14.307 4.907 -23.708 472 HG22 THR 62 1HG2 THR 62 12.989 5.862 -24.386 473 HG23 THR 62 2HG2 THR 62 14.512 6.642 -23.952 474 H TYR 63 H TYR 63 16.589 7.659 -26.551 475 HA TYR 63 HA TYR 63 16.193 9.637 -24.592 476 HB2 TYR 63 2HB TYR 63 18.279 9.508 -26.788 477 HB3 TYR 63 3HB TYR 63 18.323 10.640 -25.439 478 HD1 TYR 63 HD1 TYR 63 17.711 9.097 -23.099 479 HD2 TYR 63 HD2 TYR 63 19.951 7.927 -26.534 480 HE1 TYR 63 HE1 TYR 63 18.923 7.441 -21.746 481 HE2 TYR 63 HE2 TYR 63 21.159 6.270 -25.185 482 HH TYR 63 HH TYR 63 21.704 5.785 -22.937 483 H ALA 64 H ALA 64 15.792 9.734 -28.096 484 HA ALA 64 HA ALA 64 15.436 12.487 -28.455 485 HB1 ALA 64 3HB ALA 64 15.627 10.877 -30.300 486 HB2 ALA 64 1HB ALA 64 14.212 11.915 -30.477 487 HB3 ALA 64 2HB ALA 64 14.022 10.253 -29.917 488 H GLN 65 H GLN 65 12.925 10.003 -27.810 489 HA GLN 65 HA GLN 65 10.769 11.750 -27.389 490 HB2 GLN 65 2HB GLN 65 11.408 9.002 -26.330 491 HB3 GLN 65 3HB GLN 65 9.944 9.840 -25.838 492 HG2 GLN 65 2HG GLN 65 10.674 9.269 -28.704 493 HG3 GLN 65 3HG GLN 65 9.651 8.228 -27.717 494 HE21 GLN 65 1HE2 GLN 65 8.338 10.435 -26.350 495 HE22 GLN 65 2HE2 GLN 65 7.269 11.150 -27.493 496 H GLY 66 H GLY 66 13.223 10.542 -25.137 497 HA2 GLY 66 2HA GLY 66 12.271 11.728 -22.781 498 HA3 GLY 66 3HA GLY 66 13.950 11.328 -23.107 499 H ILE 67 H ILE 67 14.356 13.063 -25.313 500 HA ILE 67 HA ILE 67 15.195 15.412 -24.080 501 HB ILE 67 HB ILE 67 14.702 14.692 -26.965 502 HG12 ILE 67 2HG1 ILE 67 17.231 15.291 -25.403 503 HG13 ILE 67 3HG1 ILE 67 16.636 13.685 -25.805 504 HG21 ILE 67 1HG2 ILE 67 15.738 17.348 -25.979 505 HG22 ILE 67 2HG2 ILE 67 14.250 17.065 -26.881 506 HG23 ILE 67 3HG2 ILE 67 15.814 16.789 -27.648 507 HD11 ILE 67 3HD1 ILE 67 16.949 14.171 -28.181 508 HD12 ILE 67 1HD1 ILE 67 18.448 14.349 -27.269 509 HD13 ILE 67 2HD1 ILE 67 17.547 15.779 -27.768 510 H GLU 68 H GLU 68 12.273 14.777 -25.955 511 HA GLU 68 HA GLU 68 11.261 17.410 -25.980 512 HB2 GLU 68 2HB GLU 68 9.703 14.822 -26.163 513 HB3 GLU 68 3HB GLU 68 9.210 16.398 -26.778 514 HG2 GLU 68 2HG GLU 68 11.004 16.371 -28.399 515 HG3 GLU 68 3HG GLU 68 11.620 14.864 -27.735 516 H VAL 69 H VAL 69 10.285 14.614 -23.963 517 HA VAL 69 HA VAL 69 8.512 16.141 -22.344 518 HB VAL 69 HB VAL 69 8.417 14.179 -20.866 519 HG11 VAL 69 1HG1 VAL 69 7.029 14.227 -22.876 520 HG12 VAL 69 2HG1 VAL 69 7.536 12.579 -22.506 521 HG13 VAL 69 3HG1 VAL 69 8.325 13.472 -23.807 522 HG21 VAL 69 3HG2 VAL 69 10.777 13.517 -20.956 523 HG22 VAL 69 1HG2 VAL 69 10.582 13.033 -22.642 524 HG23 VAL 69 2HG2 VAL 69 9.721 12.166 -21.370 525 H ALA 70 H ALA 70 11.951 15.551 -22.155 526 HA ALA 70 HA ALA 70 12.339 16.118 -19.408 527 HB1 ALA 70 3HB ALA 70 14.055 15.040 -20.766 528 HB2 ALA 70 1HB ALA 70 14.686 16.492 -19.988 529 HB3 ALA 70 2HB ALA 70 14.262 16.520 -21.701 530 H ARG 71 H ARG 71 12.705 18.242 -22.259 531 HA ARG 71 HA ARG 71 13.262 20.579 -20.759 532 HB2 ARG 71 2HB ARG 71 12.681 21.778 -22.918 533 HB3 ARG 71 3HB ARG 71 13.956 20.572 -23.024 534 HG2 ARG 71 2HG ARG 71 12.499 19.003 -24.075 535 HG3 ARG 71 3HG ARG 71 11.087 20.010 -23.760 536 HD2 ARG 71 2HD ARG 71 13.392 20.917 -25.479 537 HD3 ARG 71 3HD ARG 71 11.996 20.054 -26.127 538 HE ARG 71 HE ARG 71 10.908 22.124 -24.744 539 HH11 ARG 71 1HH1 ARG 71 13.334 21.979 -27.177 540 HH12 ARG 71 2HH1 ARG 71 12.812 23.440 -27.941 541 HH21 ARG 71 1HH2 ARG 71 10.278 24.020 -25.683 542 HH22 ARG 71 2HH2 ARG 71 11.115 24.601 -27.081 543 H GLU 72 H GLU 72 10.212 19.146 -21.814 544 HA GLU 72 HA GLU 72 8.727 21.568 -21.187 545 HB2 GLU 72 2HB GLU 72 7.749 18.860 -22.118 546 HB3 GLU 72 3HB GLU 72 6.752 20.301 -21.958 547 HG2 GLU 72 2HG GLU 72 9.053 19.886 -23.859 548 HG3 GLU 72 3HG GLU 72 7.342 19.996 -24.268 549 H GLU 73 H GLU 73 8.744 18.205 -19.944 550 HA GLU 73 HA GLU 73 6.935 19.012 -17.802 551 HB2 GLU 73 2HB GLU 73 8.008 16.258 -18.444 552 HB3 GLU 73 3HB GLU 73 6.681 16.637 -17.353 553 HG2 GLU 73 2HG GLU 73 6.731 16.986 -20.348 554 HG3 GLU 73 3HG GLU 73 5.804 15.802 -19.431 555 H GLY 74 H GLY 74 10.264 17.935 -18.219 556 HA2 GLY 74 2HA GLY 74 10.699 18.057 -15.305 557 HA3 GLY 74 3HA GLY 74 11.811 17.376 -16.483 558 H THR 75 H THR 75 13.603 18.547 -16.743 559 HA THR 75 HA THR 75 13.403 21.420 -17.178 560 HB THR 75 HB THR 75 13.771 21.455 -14.800 561 HG1 THR 75 HG1 THR 75 15.660 22.666 -14.782 562 HG21 THR 75 3HG2 THR 75 14.647 19.195 -14.483 563 HG22 THR 75 1HG2 THR 75 15.718 20.386 -13.745 564 HG23 THR 75 2HG2 THR 75 16.149 19.651 -15.290 565 H GLN 76 H GLN 76 15.611 22.349 -17.796 566 HA GLN 76 HA GLN 76 16.692 20.902 -19.955 567 HB2 GLN 76 2HB GLN 76 16.768 23.398 -19.664 568 HB3 GLN 76 3HB GLN 76 18.032 23.173 -18.463 569 HG2 GLN 76 2HG GLN 76 19.434 22.095 -20.199 570 HG3 GLN 76 3HG GLN 76 18.177 22.443 -21.386 571 HE21 GLN 76 1HE2 GLN 76 17.802 24.606 -21.973 572 HE22 GLN 76 2HE2 GLN 76 18.986 25.832 -21.706 573 H LYS 77 H LYS 77 17.495 20.921 -16.579 574 HA LYS 77 HA LYS 77 20.140 19.959 -16.704 575 HB2 LYS 77 2HB LYS 77 18.878 20.924 -14.690 576 HB3 LYS 77 3HB LYS 77 18.200 19.314 -14.482 577 HG2 LYS 77 2HG LYS 77 20.466 18.400 -14.250 578 HG3 LYS 77 3HG LYS 77 21.131 20.023 -14.433 579 HD2 LYS 77 2HD LYS 77 19.827 20.712 -12.411 580 HD3 LYS 77 3HD LYS 77 19.354 19.022 -12.204 581 HE2 LYS 77 2HE LYS 77 22.168 20.126 -12.151 582 HE3 LYS 77 3HE LYS 77 21.240 19.549 -10.768 583 HZ1 LYS 77 3HZ LYS 77 22.116 17.888 -13.070 584 HZ2 LYS 77 1HZ LYS 77 21.237 17.340 -11.736 585 HZ3 LYS 77 2HZ LYS 77 22.820 17.894 -11.533 586 H ASP 78 H ASP 78 17.026 18.273 -16.781 587 HA ASP 78 HA ASP 78 18.144 15.627 -16.802 588 HB2 ASP 78 2HB ASP 78 15.469 16.538 -17.911 589 HB3 ASP 78 3HB ASP 78 15.921 14.891 -17.488 590 H LEU 79 H LEU 79 17.005 17.903 -19.242 591 HA LEU 79 HA LEU 79 17.334 16.467 -21.582 592 HB2 LEU 79 2HB LEU 79 16.269 18.640 -21.514 593 HB3 LEU 79 3HB LEU 79 17.768 19.405 -21.026 594 HG LEU 79 HG LEU 79 18.753 18.896 -23.224 595 HD11 LEU 79 1HD1 LEU 79 16.025 17.805 -23.896 596 HD12 LEU 79 2HD1 LEU 79 17.517 16.874 -23.752 597 HD13 LEU 79 3HD1 LEU 79 17.342 18.066 -25.039 598 HD21 LEU 79 3HD2 LEU 79 16.106 20.339 -23.374 599 HD22 LEU 79 1HD2 LEU 79 17.430 20.481 -24.532 600 HD23 LEU 79 2HD2 LEU 79 17.647 21.037 -22.872 601 H SER 80 H SER 80 19.780 18.350 -19.817 602 HA SER 80 HA SER 80 21.902 18.103 -21.631 603 HB2 SER 80 2HB SER 80 21.955 19.648 -19.719 604 HB3 SER 80 3HB SER 80 22.039 18.282 -18.607 605 HG SER 80 HG SER 80 24.111 18.348 -18.879 606 H GLU 81 H GLU 81 20.720 15.862 -19.198 607 HA GLU 81 HA GLU 81 22.984 14.098 -19.312 608 HB2 GLU 81 2HB GLU 81 20.205 13.432 -18.323 609 HB3 GLU 81 3HB GLU 81 21.715 12.642 -17.888 610 HG2 GLU 81 2HG GLU 81 20.900 15.455 -17.173 611 HG3 GLU 81 3HG GLU 81 20.929 14.065 -16.091 612 H LEU 82 H LEU 82 19.675 13.976 -20.614 613 HA LEU 82 HA LEU 82 19.855 11.489 -21.899 614 HB2 LEU 82 2HB LEU 82 18.184 13.904 -22.609 615 HB3 LEU 82 3HB LEU 82 17.931 12.289 -23.249 616 HG LEU 82 HG LEU 82 17.745 13.015 -20.317 617 HD11 LEU 82 1HD1 LEU 82 15.333 12.783 -20.582 618 HD12 LEU 82 2HD1 LEU 82 15.536 12.536 -22.317 619 HD13 LEU 82 3HD1 LEU 82 15.964 14.086 -21.590 620 HD21 LEU 82 3HD2 LEU 82 16.735 10.796 -20.074 621 HD22 LEU 82 1HD2 LEU 82 18.379 10.686 -20.705 622 HD23 LEU 82 2HD2 LEU 82 17.003 10.482 -21.790 623 H GLN 83 H GLN 83 20.571 14.752 -23.158 624 HA GLN 83 HA GLN 83 21.256 13.996 -25.788 625 HB2 GLN 83 2HB GLN 83 22.322 16.266 -24.091 626 HB3 GLN 83 3HB GLN 83 22.605 16.100 -25.819 627 HG2 GLN 83 2HG GLN 83 20.203 16.289 -26.236 628 HG3 GLN 83 3HG GLN 83 19.911 16.442 -24.503 629 HE21 GLN 83 1HE2 GLN 83 20.550 18.340 -23.452 630 HE22 GLN 83 2HE2 GLN 83 20.887 19.797 -24.316 631 H ASP 84 H ASP 84 23.278 14.374 -22.887 632 HA ASP 84 HA ASP 84 25.741 13.660 -24.019 633 HB2 ASP 84 2HB ASP 84 25.457 14.752 -21.807 634 HB3 ASP 84 3HB ASP 84 24.798 13.250 -21.166 635 H ALA 85 H ALA 85 23.152 11.691 -22.674 636 HA ALA 85 HA ALA 85 24.506 9.225 -22.527 637 HB1 ALA 85 3HB ALA 85 22.362 9.708 -21.405 638 HB2 ALA 85 1HB ALA 85 22.314 8.216 -22.345 639 HB3 ALA 85 2HB ALA 85 21.557 9.679 -22.973 640 H LYS 86 H LYS 86 22.413 10.540 -25.139 641 HA LYS 86 HA LYS 86 22.867 8.292 -26.855 642 HB2 LYS 86 2HB LYS 86 21.660 9.468 -28.538 643 HB3 LYS 86 3HB LYS 86 20.878 9.841 -27.008 644 HG2 LYS 86 2HG LYS 86 22.003 12.010 -26.951 645 HG3 LYS 86 3HG LYS 86 22.814 11.634 -28.474 646 HD2 LYS 86 2HD LYS 86 20.515 11.374 -29.499 647 HD3 LYS 86 3HD LYS 86 19.859 12.042 -28.002 648 HE2 LYS 86 2HE LYS 86 20.048 13.831 -29.575 649 HE3 LYS 86 3HE LYS 86 21.309 14.055 -28.363 650 HZ1 LYS 86 3HZ LYS 86 21.610 13.047 -31.132 651 HZ2 LYS 86 1HZ LYS 86 22.838 12.904 -29.977 652 HZ3 LYS 86 2HZ LYS 86 22.297 14.433 -30.455 653 H LEU 87 H LEU 87 24.405 11.428 -26.445 654 HA LEU 87 HA LEU 87 25.959 11.556 -28.751 655 HB2 LEU 87 2HB LEU 87 25.710 13.406 -27.167 656 HB3 LEU 87 3HB LEU 87 26.625 12.518 -25.963 657 HG LEU 87 HG LEU 87 28.621 12.620 -27.445 658 HD11 LEU 87 1HD1 LEU 87 28.620 14.169 -29.346 659 HD12 LEU 87 2HD1 LEU 87 26.884 14.409 -29.148 660 HD13 LEU 87 3HD1 LEU 87 27.511 12.822 -29.597 661 HD21 LEU 87 3HD2 LEU 87 29.094 15.007 -27.088 662 HD22 LEU 87 1HD2 LEU 87 28.355 14.259 -25.672 663 HD23 LEU 87 2HD2 LEU 87 27.387 15.284 -26.734 664 H LYS 88 H LYS 88 26.848 10.146 -25.580 665 HA LYS 88 HA LYS 88 29.411 9.264 -26.355 666 HB2 LYS 88 2HB LYS 88 29.367 7.850 -24.370 667 HB3 LYS 88 3HB LYS 88 28.726 9.445 -24.001 668 HG2 LYS 88 2HG LYS 88 26.453 8.573 -24.097 669 HG3 LYS 88 3HG LYS 88 27.073 6.975 -24.517 670 HD2 LYS 88 2HD LYS 88 28.237 6.851 -22.368 671 HD3 LYS 88 3HD LYS 88 27.651 8.463 -21.949 672 HE2 LYS 88 2HE LYS 88 26.312 6.705 -20.885 673 HE3 LYS 88 3HE LYS 88 25.351 7.663 -22.011 674 HZ1 LYS 88 3HZ LYS 88 25.019 5.202 -22.127 675 HZ2 LYS 88 1HZ LYS 88 26.584 5.070 -22.747 676 HZ3 LYS 88 2HZ LYS 88 25.400 5.935 -23.597 677 H ALA 89 H ALA 89 26.249 7.883 -26.871 678 HA ALA 89 HA ALA 89 27.155 5.284 -27.682 679 HB1 ALA 89 3HB ALA 89 24.537 6.671 -28.285 680 HB2 ALA 89 1HB ALA 89 24.864 5.661 -26.877 681 HB3 ALA 89 2HB ALA 89 24.876 4.953 -28.491 682 H GLU 90 H GLU 90 26.265 8.271 -29.389 683 HA GLU 90 HA GLU 90 26.586 7.361 -32.032 684 HB2 GLU 90 2HB GLU 90 27.015 10.137 -30.888 685 HB3 GLU 90 3HB GLU 90 26.898 9.771 -32.604 686 HG2 GLU 90 2HG GLU 90 24.600 8.978 -32.278 687 HG3 GLU 90 3HG GLU 90 24.718 9.344 -30.559 688 H GLY 91 H GLY 91 28.931 8.368 -29.644 689 HA2 GLY 91 2HA GLY 91 31.113 8.579 -31.547 690 HA3 GLY 91 3HA GLY 91 31.217 8.774 -29.808 691 H LEU 92 H LEU 92 29.649 5.934 -30.064 692 HA LEU 92 HA LEU 92 31.948 4.378 -29.410 693 HB2 LEU 92 2HB LEU 92 29.091 3.604 -29.989 694 HB3 LEU 92 3HB LEU 92 30.319 2.433 -29.545 695 HG LEU 92 HG LEU 92 29.388 4.747 -27.831 696 HD11 LEU 92 1HD1 LEU 92 28.423 3.024 -26.395 697 HD12 LEU 92 2HD1 LEU 92 28.927 1.776 -27.537 698 HD13 LEU 92 3HD1 LEU 92 27.718 2.971 -28.011 699 HD21 LEU 92 3HD2 LEU 92 31.756 4.234 -27.477 700 HD22 LEU 92 1HD2 LEU 92 31.354 2.536 -27.220 701 HD23 LEU 92 2HD2 LEU 92 30.785 3.761 -26.084 702 H GLU 93 H GLU 93 29.635 3.750 -32.076 703 HA GLU 93 HA GLU 93 31.681 2.372 -33.570 704 HB2 GLU 93 2HB GLU 93 29.925 2.094 -35.303 705 HB3 GLU 93 3HB GLU 93 29.438 1.509 -33.720 706 HG2 GLU 93 2HG GLU 93 28.094 3.503 -33.367 707 HG3 GLU 93 3HG GLU 93 28.627 4.158 -34.917 708 H HIS 94 H HIS 94 33.194 3.438 -34.649 709 HA HIS 94 HA HIS 94 32.918 6.198 -35.327 710 HB2 HIS 94 2HB HIS 94 35.163 5.533 -36.684 711 HB3 HIS 94 3HB HIS 94 35.129 5.907 -34.968 712 HD1 HIS 94 HD1 HIS 94 35.584 3.073 -37.359 713 HD2 HIS 94 HD2 HIS 94 35.580 3.737 -33.259 714 HE1 HIS 94 HE1 HIS 94 36.543 0.991 -36.338 715 HE2 HIS 94 HE2 HIS 94 36.671 1.479 -33.877 716 H HIS 95 H HIS 95 33.725 6.851 -37.684 717 HA HIS 95 HA HIS 95 32.889 7.332 -39.731 718 HB2 HIS 95 2HB HIS 95 32.008 4.432 -39.766 719 HB3 HIS 95 3HB HIS 95 31.926 5.521 -41.145 720 HD1 HIS 95 HD1 HIS 95 33.927 2.909 -39.947 721 HD2 HIS 95 HD2 HIS 95 34.779 6.629 -41.590 722 HE1 HIS 95 HE1 HIS 95 36.266 2.732 -40.830 723 HE2 HIS 95 HE2 HIS 95 36.824 5.044 -41.634 724 H HIS 96 H HIS 96 30.362 4.972 -39.112 725 HA HIS 96 HA HIS 96 28.130 5.140 -39.424 726 HB2 HIS 96 2HB HIS 96 26.977 5.966 -37.478 727 HB3 HIS 96 3HB HIS 96 28.452 5.141 -37.012 728 HD1 HIS 96 HD1 HIS 96 26.590 8.197 -36.508 729 HD2 HIS 96 HD2 HIS 96 30.562 7.027 -36.181 730 HE1 HIS 96 HE1 HIS 96 27.672 9.908 -35.034 731 HE2 HIS 96 HE2 HIS 96 30.027 9.095 -34.722 732 H HIS 97 H HIS 97 28.939 8.588 -38.708 733 HA HIS 97 HA HIS 97 26.904 9.925 -39.864 734 HB2 HIS 97 2HB HIS 97 29.851 10.540 -40.200 735 HB3 HIS 97 3HB HIS 97 28.562 11.663 -40.605 736 HD1 HIS 97 HD1 HIS 97 27.095 12.532 -38.562 737 HD2 HIS 97 HD2 HIS 97 30.623 10.562 -37.565 738 HE1 HIS 97 HE1 HIS 97 27.561 13.147 -36.173 739 HE2 HIS 97 HE2 HIS 97 29.658 11.896 -35.565 740 H HIS 98 H HIS 98 25.885 9.852 -41.793 741 HA HIS 98 HA HIS 98 27.171 8.826 -44.177 742 HB2 HIS 98 2HB HIS 98 24.716 8.541 -43.612 743 HB3 HIS 98 3HB HIS 98 24.501 10.253 -43.955 744 HD1 HIS 98 HD1 HIS 98 24.362 10.942 -46.415 745 HD2 HIS 98 HD2 HIS 98 25.235 6.917 -45.881 746 HE1 HIS 98 HE1 HIS 98 24.108 9.895 -48.680 747 HE2 HIS 98 HE2 HIS 98 24.523 7.442 -48.308 748 H HIS 99 H HIS 99 28.893 10.583 -43.694 749 HA HIS 99 HA HIS 99 29.975 12.523 -44.111 750 HB2 HIS 99 2HB HIS 99 29.309 12.299 -46.442 751 HB3 HIS 99 3HB HIS 99 27.738 13.016 -46.096 752 HD1 HIS 99 HD1 HIS 99 27.754 15.598 -45.457 753 HD2 HIS 99 HD2 HIS 99 31.323 14.125 -46.992 754 HE1 HIS 99 HE1 HIS 99 29.087 17.617 -46.105 755 HE2 HIS 99 HE2 HIS 99 31.208 16.710 -47.099 Start of MODEL 20 1 H1 GLU 1 1H GLU 1 0.665 1.162 -2.574 2 H2 GLU 1 2H GLU 1 1.263 2.026 -3.902 3 H3 GLU 1 3H GLU 1 1.821 2.371 -2.349 4 HA GLU 1 HA GLU 1 3.444 1.103 -3.611 5 HB2 GLU 1 2HB GLU 1 2.200 -0.382 -1.280 6 HB3 GLU 1 3HB GLU 1 3.829 -0.643 -1.894 7 HG2 GLU 1 2HG GLU 1 4.404 1.672 -1.319 8 HG3 GLU 1 3HG GLU 1 2.779 1.907 -0.673 9 H ASP 2 H ASP 2 0.730 0.519 -4.885 10 HA ASP 2 HA ASP 2 0.771 -2.365 -5.242 11 HB2 ASP 2 2HB ASP 2 -0.944 -0.264 -6.599 12 HB3 ASP 2 3HB ASP 2 -1.215 -2.005 -6.624 13 HA PRO 3 HA PRO 3 3.145 -2.777 -8.989 14 HB2 PRO 3 2HB PRO 3 0.703 -3.857 -10.341 15 HB3 PRO 3 3HB PRO 3 2.328 -4.546 -10.235 16 HG2 PRO 3 2HG PRO 3 0.368 -5.526 -8.738 17 HG3 PRO 3 3HG PRO 3 1.999 -5.330 -8.065 18 HD2 PRO 3 2HD PRO 3 -0.444 -3.649 -7.640 19 HD3 PRO 3 3HD PRO 3 0.821 -4.115 -6.484 20 H GLU 4 H GLU 4 0.096 -1.105 -9.128 21 HA GLU 4 HA GLU 4 0.516 0.036 -11.743 22 HB2 GLU 4 2HB GLU 4 -1.494 0.718 -9.584 23 HB3 GLU 4 3HB GLU 4 -1.507 1.374 -11.218 24 HG2 GLU 4 2HG GLU 4 -1.844 -0.853 -12.136 25 HG3 GLU 4 3HG GLU 4 -1.766 -1.547 -10.518 26 H ASP 5 H ASP 5 1.284 0.945 -8.457 27 HA ASP 5 HA ASP 5 1.755 3.682 -8.733 28 HB2 ASP 5 2HB ASP 5 3.255 1.645 -7.070 29 HB3 ASP 5 3HB ASP 5 3.412 3.387 -6.888 30 HA PRO 6 HA PRO 6 4.920 3.934 -11.972 31 HB2 PRO 6 2HB PRO 6 5.681 6.248 -10.251 32 HB3 PRO 6 3HB PRO 6 5.428 6.177 -11.997 33 HG2 PRO 6 2HG PRO 6 3.599 7.145 -10.161 34 HG3 PRO 6 3HG PRO 6 3.208 6.612 -11.801 35 HD2 PRO 6 2HD PRO 6 2.444 5.408 -9.304 36 HD3 PRO 6 3HD PRO 6 2.025 4.887 -10.946 37 H PHE 7 H PHE 7 5.894 4.741 -8.612 38 HA PHE 7 HA PHE 7 8.600 4.041 -8.953 39 HB2 PHE 7 2HB PHE 7 7.837 5.501 -7.137 40 HB3 PHE 7 3HB PHE 7 6.992 4.147 -6.391 41 HD1 PHE 7 HD2 PHE 7 10.395 5.204 -7.492 42 HD2 PHE 7 HD1 PHE 7 8.087 2.861 -4.783 43 HE1 PHE 7 HE2 PHE 7 12.442 4.615 -6.264 44 HE2 PHE 7 HE1 PHE 7 10.135 2.268 -3.555 45 HZ PHE 7 HZ PHE 7 12.313 3.141 -4.294 46 H THR 8 H THR 8 5.839 2.087 -7.861 47 HA THR 8 HA THR 8 7.362 -0.120 -6.904 48 HB THR 8 HB THR 8 4.556 -0.268 -8.048 49 HG1 THR 8 HG1 THR 8 3.804 0.402 -6.122 50 HG21 THR 8 3HG2 THR 8 5.968 -1.965 -5.975 51 HG22 THR 8 1HG2 THR 8 5.600 -2.449 -7.632 52 HG23 THR 8 2HG2 THR 8 4.291 -2.146 -6.490 53 H ARG 9 H ARG 9 5.524 0.254 -9.933 54 HA ARG 9 HA ARG 9 6.430 -2.065 -11.213 55 HB2 ARG 9 2HB ARG 9 5.759 -0.798 -13.339 56 HB3 ARG 9 3HB ARG 9 4.521 -1.025 -12.111 57 HG2 ARG 9 2HG ARG 9 5.331 1.344 -11.298 58 HG3 ARG 9 3HG ARG 9 5.928 1.471 -12.948 59 HD2 ARG 9 2HD ARG 9 3.085 0.711 -12.301 60 HD3 ARG 9 3HD ARG 9 3.599 2.386 -12.482 61 HE ARG 9 HE ARG 9 3.985 1.996 -14.772 62 HH11 ARG 9 1HH1 ARG 9 2.591 -0.705 -13.153 63 HH12 ARG 9 2HH1 ARG 9 2.075 -1.457 -14.620 64 HH21 ARG 9 1HH2 ARG 9 3.299 1.032 -16.648 65 HH22 ARG 9 2HH2 ARG 9 2.501 -0.501 -16.572 66 H TYR 10 H TYR 10 7.833 1.174 -11.138 67 HA TYR 10 HA TYR 10 9.976 0.734 -12.932 68 HB2 TYR 10 2HB TYR 10 9.307 2.970 -12.272 69 HB3 TYR 10 3HB TYR 10 9.667 2.628 -10.587 70 HD1 TYR 10 HD1 TYR 10 11.230 3.083 -13.933 71 HD2 TYR 10 HD2 TYR 10 11.822 3.005 -9.715 72 HE1 TYR 10 HE1 TYR 10 13.481 4.026 -14.232 73 HE2 TYR 10 HE2 TYR 10 14.071 3.941 -10.011 74 HH TYR 10 HH TYR 10 15.093 5.452 -12.695 75 H ALA 11 H ALA 11 9.644 0.218 -9.443 76 HA ALA 11 HA ALA 11 12.335 -0.443 -8.898 77 HB1 ALA 11 3HB ALA 11 10.727 0.176 -7.151 78 HB2 ALA 11 1HB ALA 11 11.509 -1.367 -6.800 79 HB3 ALA 11 2HB ALA 11 9.857 -1.334 -7.416 80 H LEU 12 H LEU 12 9.513 -2.562 -9.540 81 HA LEU 12 HA LEU 12 10.803 -5.027 -9.336 82 HB2 LEU 12 2HB LEU 12 8.390 -4.087 -10.841 83 HB3 LEU 12 3HB LEU 12 9.002 -5.698 -11.154 84 HG LEU 12 HG LEU 12 7.177 -5.751 -9.528 85 HD11 LEU 12 1HD1 LEU 12 8.294 -7.039 -7.764 86 HD12 LEU 12 2HD1 LEU 12 9.855 -6.422 -8.305 87 HD13 LEU 12 3HD1 LEU 12 8.902 -7.458 -9.367 88 HD21 LEU 12 3HD2 LEU 12 7.428 -4.772 -7.302 89 HD22 LEU 12 1HD2 LEU 12 7.461 -3.528 -8.552 90 HD23 LEU 12 2HD2 LEU 12 8.962 -4.048 -7.785 91 H ALA 13 H ALA 13 10.611 -2.829 -12.110 92 HA ALA 13 HA ALA 13 11.844 -4.420 -14.042 93 HB1 ALA 13 3HB ALA 13 12.462 -2.329 -15.146 94 HB2 ALA 13 1HB ALA 13 12.114 -1.434 -13.666 95 HB3 ALA 13 2HB ALA 13 10.812 -2.254 -14.528 96 H GLN 14 H GLN 14 13.381 -2.132 -11.770 97 HA GLN 14 HA GLN 14 16.049 -2.690 -12.478 98 HB2 GLN 14 2HB GLN 14 14.914 -1.684 -9.857 99 HB3 GLN 14 3HB GLN 14 16.621 -1.657 -10.286 100 HG2 GLN 14 2HG GLN 14 16.096 -0.186 -12.195 101 HG3 GLN 14 3HG GLN 14 14.404 -0.176 -11.699 102 HE21 GLN 14 1HE2 GLN 14 16.331 2.020 -11.930 103 HE22 GLN 14 2HE2 GLN 14 16.370 2.774 -10.380 104 H GLU 15 H GLU 15 13.933 -4.157 -10.026 105 HA GLU 15 HA GLU 15 15.797 -5.843 -8.793 106 HB2 GLU 15 2HB GLU 15 12.850 -6.327 -9.310 107 HB3 GLU 15 3HB GLU 15 13.840 -7.272 -8.207 108 HG2 GLU 15 2HG GLU 15 13.286 -4.318 -7.944 109 HG3 GLU 15 3HG GLU 15 12.447 -5.594 -7.065 110 H HIS 16 H HIS 16 13.816 -6.378 -11.705 111 HA HIS 16 HA HIS 16 14.688 -9.027 -12.189 112 HB2 HIS 16 2HB HIS 16 13.411 -6.926 -13.914 113 HB3 HIS 16 3HB HIS 16 13.951 -8.448 -14.614 114 HD1 HIS 16 HD1 HIS 16 12.946 -10.643 -13.148 115 HD2 HIS 16 HD2 HIS 16 10.837 -7.057 -13.065 116 HE1 HIS 16 HE1 HIS 16 10.612 -11.248 -12.462 117 HE2 HIS 16 HE2 HIS 16 9.334 -9.083 -12.481 118 H LEU 17 H LEU 17 16.042 -5.897 -13.132 119 HA LEU 17 HA LEU 17 18.028 -6.831 -14.899 120 HB2 LEU 17 2HB LEU 17 18.024 -4.446 -13.043 121 HB3 LEU 17 3HB LEU 17 19.265 -4.737 -14.248 122 HG LEU 17 HG LEU 17 16.331 -4.270 -14.828 123 HD11 LEU 17 1HD1 LEU 17 17.074 -2.139 -15.772 124 HD12 LEU 17 2HD1 LEU 17 18.728 -2.483 -15.265 125 HD13 LEU 17 3HD1 LEU 17 17.466 -2.248 -14.056 126 HD21 LEU 17 3HD2 LEU 17 17.346 -5.763 -16.468 127 HD22 LEU 17 1HD2 LEU 17 18.675 -4.625 -16.706 128 HD23 LEU 17 2HD2 LEU 17 17.035 -4.180 -17.179 129 H LYS 18 H LYS 18 17.868 -6.835 -11.404 130 HA LYS 18 HA LYS 18 20.627 -7.492 -10.961 131 HB2 LYS 18 2HB LYS 18 18.204 -7.825 -9.177 132 HB3 LYS 18 3HB LYS 18 19.870 -8.037 -8.657 133 HG2 LYS 18 2HG LYS 18 20.341 -5.697 -9.088 134 HG3 LYS 18 3HG LYS 18 18.714 -5.464 -9.729 135 HD2 LYS 18 2HD LYS 18 18.863 -4.644 -7.435 136 HD3 LYS 18 3HD LYS 18 17.764 -6.020 -7.537 137 HE2 LYS 18 2HE LYS 18 19.170 -6.207 -5.565 138 HE3 LYS 18 3HE LYS 18 19.556 -7.493 -6.707 139 HZ1 LYS 18 3HZ LYS 18 21.539 -6.477 -5.740 140 HZ2 LYS 18 1HZ LYS 18 21.102 -4.976 -6.388 141 HZ3 LYS 18 2HZ LYS 18 21.493 -6.262 -7.416 142 H HIS 19 H HIS 19 17.839 -9.309 -11.872 143 HA HIS 19 HA HIS 19 19.181 -11.860 -11.205 144 HB2 HIS 19 2HB HIS 19 16.244 -11.229 -11.597 145 HB3 HIS 19 3HB HIS 19 16.881 -12.856 -11.378 146 HD1 HIS 19 HD1 HIS 19 16.968 -13.651 -9.024 147 HD2 HIS 19 HD2 HIS 19 16.852 -9.505 -9.243 148 HE1 HIS 19 HE1 HIS 19 16.822 -12.857 -6.651 149 HE2 HIS 19 HE2 HIS 19 16.634 -10.356 -6.809 150 H ASP 20 H ASP 20 19.738 -10.233 -13.564 151 HA ASP 20 HA ASP 20 20.296 -10.553 -15.733 152 HB2 ASP 20 2HB ASP 20 21.027 -12.763 -14.836 153 HB3 ASP 20 3HB ASP 20 19.464 -13.429 -15.296 154 H ASN 21 H ASN 21 17.185 -10.572 -14.770 155 HA ASN 21 HA ASN 21 15.896 -11.387 -17.229 156 HB2 ASN 21 2HB ASN 21 14.842 -9.992 -14.760 157 HB3 ASN 21 3HB ASN 21 13.841 -10.465 -16.124 158 HD21 ASN 21 1HD2 ASN 21 15.114 -12.948 -16.648 159 HD22 ASN 21 2HD2 ASN 21 14.700 -14.010 -15.351 160 H ALA 22 H ALA 22 17.505 -9.775 -18.328 161 HA ALA 22 HA ALA 22 17.033 -6.986 -18.179 162 HB1 ALA 22 3HB ALA 22 18.373 -6.828 -20.210 163 HB2 ALA 22 1HB ALA 22 18.239 -8.571 -20.450 164 HB3 ALA 22 2HB ALA 22 19.115 -7.937 -19.056 165 H SER 23 H SER 23 15.848 -9.461 -20.457 166 HA SER 23 HA SER 23 14.369 -7.705 -22.108 167 HB2 SER 23 2HB SER 23 13.879 -10.653 -21.584 168 HB3 SER 23 3HB SER 23 13.214 -9.722 -22.927 169 HG SER 23 HG SER 23 14.975 -10.344 -23.906 170 H ARG 24 H ARG 24 13.409 -9.583 -19.241 171 HA ARG 24 HA ARG 24 10.683 -8.899 -19.209 172 HB2 ARG 24 2HB ARG 24 12.580 -9.528 -16.940 173 HB3 ARG 24 3HB ARG 24 10.852 -9.317 -16.715 174 HG2 ARG 24 2HG ARG 24 12.153 -11.411 -18.449 175 HG3 ARG 24 3HG ARG 24 11.463 -11.673 -16.847 176 HD2 ARG 24 2HD ARG 24 9.260 -10.944 -17.718 177 HD3 ARG 24 3HD ARG 24 9.974 -10.785 -19.322 178 HE ARG 24 HE ARG 24 10.304 -13.389 -18.147 179 HH11 ARG 24 1HH1 ARG 24 8.226 -11.380 -20.029 180 HH12 ARG 24 2HH1 ARG 24 7.431 -12.725 -20.768 181 HH21 ARG 24 1HH2 ARG 24 9.263 -15.089 -19.096 182 HH22 ARG 24 2HH2 ARG 24 8.005 -14.797 -20.245 183 H ALA 25 H ALA 25 13.424 -7.314 -17.565 184 HA ALA 25 HA ALA 25 11.977 -5.155 -16.481 185 HB1 ALA 25 3HB ALA 25 14.883 -5.249 -17.297 186 HB2 ALA 25 1HB ALA 25 14.228 -5.750 -15.739 187 HB3 ALA 25 2HB ALA 25 14.147 -4.057 -16.225 188 H LEU 26 H LEU 26 13.566 -5.572 -19.610 189 HA LEU 26 HA LEU 26 13.360 -2.985 -20.624 190 HB2 LEU 26 2HB LEU 26 14.584 -4.892 -21.671 191 HB3 LEU 26 3HB LEU 26 13.044 -5.568 -22.168 192 HG LEU 26 HG LEU 26 12.637 -3.551 -23.564 193 HD11 LEU 26 1HD1 LEU 26 14.466 -1.997 -24.005 194 HD12 LEU 26 2HD1 LEU 26 15.464 -2.813 -22.801 195 HD13 LEU 26 3HD1 LEU 26 14.002 -1.961 -22.305 196 HD21 LEU 26 3HD2 LEU 26 13.602 -5.552 -24.567 197 HD22 LEU 26 1HD2 LEU 26 15.224 -5.005 -24.132 198 HD23 LEU 26 2HD2 LEU 26 14.271 -4.099 -25.308 199 H ALA 27 H ALA 27 11.028 -5.674 -20.937 200 HA ALA 27 HA ALA 27 8.991 -4.304 -22.278 201 HB1 ALA 27 3HB ALA 27 7.490 -6.044 -21.419 202 HB2 ALA 27 1HB ALA 27 8.731 -6.547 -20.270 203 HB3 ALA 27 2HB ALA 27 9.007 -6.729 -22.002 204 H LEU 28 H LEU 28 9.689 -4.521 -18.812 205 HA LEU 28 HA LEU 28 7.384 -3.164 -17.895 206 HB2 LEU 28 2HB LEU 28 10.115 -3.492 -16.643 207 HB3 LEU 28 3HB LEU 28 8.743 -2.780 -15.813 208 HG LEU 28 HG LEU 28 8.851 -5.615 -16.867 209 HD11 LEU 28 1HD1 LEU 28 8.960 -6.281 -14.520 210 HD12 LEU 28 2HD1 LEU 28 9.045 -4.588 -14.035 211 HD13 LEU 28 3HD1 LEU 28 10.355 -5.303 -14.973 212 HD21 LEU 28 3HD2 LEU 28 6.589 -4.688 -16.864 213 HD22 LEU 28 1HD2 LEU 28 6.770 -4.228 -15.171 214 HD23 LEU 28 2HD2 LEU 28 6.771 -5.933 -15.630 215 H PHE 29 H PHE 29 10.716 -1.922 -18.450 216 HA PHE 29 HA PHE 29 10.154 0.766 -17.895 217 HB2 PHE 29 2HB PHE 29 12.228 -0.496 -19.688 218 HB3 PHE 29 3HB PHE 29 12.142 1.241 -19.431 219 HD1 PHE 29 HD2 PHE 29 12.058 1.935 -16.851 220 HD2 PHE 29 HD1 PHE 29 13.695 -1.696 -18.373 221 HE1 PHE 29 HE2 PHE 29 13.461 1.726 -14.843 222 HE2 PHE 29 HE1 PHE 29 15.100 -1.904 -16.363 223 HZ PHE 29 HZ PHE 29 14.983 -0.193 -14.596 224 H GLU 30 H GLU 30 10.030 -0.965 -21.024 225 HA GLU 30 HA GLU 30 9.165 1.198 -22.593 226 HB2 GLU 30 2HB GLU 30 8.695 -1.773 -22.880 227 HB3 GLU 30 3HB GLU 30 8.148 -0.606 -24.076 228 HG2 GLU 30 2HG GLU 30 10.487 0.130 -24.382 229 HG3 GLU 30 3HG GLU 30 11.000 -1.116 -23.244 230 H GLU 31 H GLU 31 7.338 -1.058 -20.574 231 HA GLU 31 HA GLU 31 4.748 -0.136 -21.275 232 HB2 GLU 31 2HB GLU 31 5.176 -2.270 -20.079 233 HB3 GLU 31 3HB GLU 31 5.666 -1.359 -18.658 234 HG2 GLU 31 2HG GLU 31 3.405 -0.387 -18.526 235 HG3 GLU 31 3HG GLU 31 2.926 -1.359 -19.915 236 H LEU 32 H LEU 32 7.078 0.871 -18.807 237 HA LEU 32 HA LEU 32 5.508 2.723 -17.421 238 HB2 LEU 32 2HB LEU 32 8.473 2.827 -18.001 239 HB3 LEU 32 3HB LEU 32 7.651 3.811 -16.803 240 HG LEU 32 HG LEU 32 7.902 0.797 -16.745 241 HD11 LEU 32 1HD1 LEU 32 9.332 1.180 -14.793 242 HD12 LEU 32 2HD1 LEU 32 9.209 2.922 -15.043 243 HD13 LEU 32 3HD1 LEU 32 10.007 1.910 -16.249 244 HD21 LEU 32 3HD2 LEU 32 6.659 2.677 -14.738 245 HD22 LEU 32 1HD2 LEU 32 6.875 0.939 -14.538 246 HD23 LEU 32 2HD2 LEU 32 5.785 1.553 -15.780 247 H VAL 33 H VAL 33 7.267 3.066 -20.462 248 HA VAL 33 HA VAL 33 7.022 5.859 -20.753 249 HB VAL 33 HB VAL 33 7.111 3.757 -22.936 250 HG11 VAL 33 1HG1 VAL 33 7.950 5.571 -24.375 251 HG12 VAL 33 2HG1 VAL 33 7.690 6.725 -23.066 252 HG13 VAL 33 3HG1 VAL 33 6.316 5.898 -23.799 253 HG21 VAL 33 3HG2 VAL 33 9.509 4.186 -22.997 254 HG22 VAL 33 1HG2 VAL 33 9.022 3.639 -21.393 255 HG23 VAL 33 2HG2 VAL 33 9.353 5.349 -21.679 256 H GLU 34 H GLU 34 4.844 3.230 -21.749 257 HA GLU 34 HA GLU 34 2.971 5.082 -22.950 258 HB2 GLU 34 2HB GLU 34 1.595 3.012 -23.341 259 HB3 GLU 34 3HB GLU 34 3.192 3.012 -24.073 260 HG2 GLU 34 2HG GLU 34 3.977 1.677 -22.079 261 HG3 GLU 34 3HG GLU 34 2.279 1.505 -21.635 262 H THR 35 H THR 35 3.210 3.376 -19.867 263 HA THR 35 HA THR 35 0.486 4.122 -19.118 264 HB THR 35 HB THR 35 0.920 2.971 -16.990 265 HG1 THR 35 HG1 THR 35 3.065 3.256 -16.577 266 HG21 THR 35 3HG2 THR 35 0.130 1.639 -18.877 267 HG22 THR 35 1HG2 THR 35 1.243 0.694 -17.886 268 HG23 THR 35 2HG2 THR 35 1.791 1.382 -19.415 269 H ASP 36 H ASP 36 3.801 4.963 -18.196 270 HA ASP 36 HA ASP 36 2.764 7.317 -16.740 271 HB2 ASP 36 2HB ASP 36 5.173 5.623 -16.019 272 HB3 ASP 36 3HB ASP 36 4.704 7.113 -15.206 273 HA PRO 37 HA PRO 37 5.617 8.457 -20.318 274 HB2 PRO 37 2HB PRO 37 3.626 10.594 -20.773 275 HB3 PRO 37 3HB PRO 37 4.278 9.404 -21.904 276 HG2 PRO 37 2HG PRO 37 1.756 9.239 -21.003 277 HG3 PRO 37 3HG PRO 37 2.733 7.788 -21.303 278 HD2 PRO 37 2HD PRO 37 2.115 9.149 -18.694 279 HD3 PRO 37 3HD PRO 37 2.124 7.416 -19.085 280 H ASP 38 H ASP 38 4.365 10.192 -17.607 281 HA ASP 38 HA ASP 38 5.952 12.587 -18.089 282 HB2 ASP 38 2HB ASP 38 4.324 11.896 -15.637 283 HB3 ASP 38 3HB ASP 38 4.873 13.491 -16.145 284 H TYR 39 H TYR 39 6.412 9.577 -16.571 285 HA TYR 39 HA TYR 39 8.196 10.503 -14.490 286 HB2 TYR 39 2HB TYR 39 6.744 8.482 -14.246 287 HB3 TYR 39 3HB TYR 39 7.715 7.677 -15.472 288 HD1 TYR 39 HD1 TYR 39 8.540 9.716 -12.427 289 HD2 TYR 39 HD2 TYR 39 9.052 6.045 -14.525 290 HE1 TYR 39 HE1 TYR 39 10.069 8.927 -10.669 291 HE2 TYR 39 HE2 TYR 39 10.579 5.255 -12.776 292 HH TYR 39 HH TYR 39 10.904 6.787 -9.770 293 H VAL 40 H VAL 40 9.931 11.532 -15.400 294 HA VAL 40 HA VAL 40 11.179 10.846 -17.814 295 HB VAL 40 HB VAL 40 12.402 12.391 -15.514 296 HG11 VAL 40 1HG1 VAL 40 13.736 13.481 -17.306 297 HG12 VAL 40 2HG1 VAL 40 13.072 12.330 -18.465 298 HG13 VAL 40 3HG1 VAL 40 14.084 11.760 -17.137 299 HG21 VAL 40 3HG2 VAL 40 10.248 13.340 -16.143 300 HG22 VAL 40 1HG2 VAL 40 10.727 13.366 -17.841 301 HG23 VAL 40 2HG2 VAL 40 11.557 14.395 -16.672 302 H GLY 41 H GLY 41 12.009 9.914 -14.487 303 HA2 GLY 41 2HA GLY 41 14.514 8.827 -14.767 304 HA3 GLY 41 3HA GLY 41 13.290 8.160 -13.702 305 H THR 42 H THR 42 11.485 7.352 -15.826 306 HA THR 42 HA THR 42 12.370 4.771 -16.414 307 HB THR 42 HB THR 42 10.303 6.440 -17.869 308 HG1 THR 42 HG1 THR 42 8.888 5.546 -16.470 309 HG21 THR 42 3HG2 THR 42 11.087 4.615 -19.314 310 HG22 THR 42 1HG2 THR 42 9.440 4.320 -18.757 311 HG23 THR 42 2HG2 THR 42 10.788 3.455 -18.019 312 H TYR 43 H TYR 43 12.215 7.572 -18.619 313 HA TYR 43 HA TYR 43 13.092 6.303 -20.930 314 HB2 TYR 43 2HB TYR 43 13.471 9.191 -20.103 315 HB3 TYR 43 3HB TYR 43 13.675 8.580 -21.742 316 HD1 TYR 43 HD1 TYR 43 11.750 7.935 -23.080 317 HD2 TYR 43 HD2 TYR 43 11.243 9.430 -19.124 318 HE1 TYR 43 HE1 TYR 43 9.362 8.296 -23.525 319 HE2 TYR 43 HE2 TYR 43 8.851 9.793 -19.561 320 HH TYR 43 HH TYR 43 7.330 10.071 -21.362 321 H TYR 44 H TYR 44 15.049 8.025 -18.504 322 HA TYR 44 HA TYR 44 17.504 7.871 -19.839 323 HB2 TYR 44 2HB TYR 44 17.116 9.320 -17.888 324 HB3 TYR 44 3HB TYR 44 17.000 7.903 -16.850 325 HD1 TYR 44 HD1 TYR 44 19.310 9.911 -18.937 326 HD2 TYR 44 HD2 TYR 44 18.974 6.809 -16.034 327 HE1 TYR 44 HE1 TYR 44 21.742 9.982 -18.584 328 HE2 TYR 44 HE2 TYR 44 21.405 6.876 -15.675 329 HH TYR 44 HH TYR 44 23.367 9.372 -16.760 330 H HIS 45 H HIS 45 16.285 5.716 -17.243 331 HA HIS 45 HA HIS 45 18.545 3.972 -17.439 332 HB2 HIS 45 2HB HIS 45 15.882 3.586 -16.052 333 HB3 HIS 45 3HB HIS 45 17.261 2.501 -15.888 334 HD1 HIS 45 HD1 HIS 45 19.240 3.299 -14.419 335 HD2 HIS 45 HD2 HIS 45 16.163 6.077 -14.734 336 HE1 HIS 45 HE1 HIS 45 19.696 5.020 -12.650 337 HE2 HIS 45 HE2 HIS 45 17.905 6.753 -12.951 338 H LEU 46 H LEU 46 15.346 3.956 -18.903 339 HA LEU 46 HA LEU 46 15.373 1.343 -19.961 340 HB2 LEU 46 2HB LEU 46 13.341 2.614 -19.996 341 HB3 LEU 46 3HB LEU 46 14.084 3.895 -20.932 342 HG LEU 46 HG LEU 46 14.185 2.453 -22.900 343 HD11 LEU 46 1HD1 LEU 46 14.520 0.303 -21.781 344 HD12 LEU 46 2HD1 LEU 46 13.180 0.237 -22.925 345 HD13 LEU 46 3HD1 LEU 46 12.857 0.349 -21.196 346 HD21 LEU 46 3HD2 LEU 46 12.173 3.772 -22.558 347 HD22 LEU 46 1HD2 LEU 46 11.457 2.471 -21.606 348 HD23 LEU 46 2HD2 LEU 46 11.775 2.235 -23.325 349 H GLY 47 H GLY 47 16.529 4.423 -21.337 350 HA2 GLY 47 2HA GLY 47 17.564 3.411 -23.747 351 HA3 GLY 47 3HA GLY 47 18.127 4.862 -22.929 352 H LYS 48 H LYS 48 19.162 3.840 -20.578 353 HA LYS 48 HA LYS 48 21.696 2.882 -21.283 354 HB2 LYS 48 2HB LYS 48 20.347 2.467 -18.602 355 HB3 LYS 48 3HB LYS 48 22.073 2.456 -18.919 356 HG2 LYS 48 2HG LYS 48 20.227 4.829 -19.088 357 HG3 LYS 48 3HG LYS 48 21.421 4.513 -17.837 358 HD2 LYS 48 2HD LYS 48 22.012 5.056 -20.755 359 HD3 LYS 48 3HD LYS 48 22.188 6.208 -19.433 360 HE2 LYS 48 2HE LYS 48 24.361 5.454 -19.730 361 HE3 LYS 48 3HE LYS 48 23.786 4.425 -18.420 362 HZ1 LYS 48 3HZ LYS 48 23.694 3.603 -21.264 363 HZ2 LYS 48 1HZ LYS 48 23.495 2.628 -19.897 364 HZ3 LYS 48 2HZ LYS 48 25.014 3.274 -20.261 365 H LEU 49 H LEU 49 18.780 1.131 -20.312 366 HA LEU 49 HA LEU 49 19.934 -1.453 -20.207 367 HB2 LEU 49 2HB LEU 49 17.769 -0.946 -19.200 368 HB3 LEU 49 3HB LEU 49 17.089 -0.617 -20.781 369 HG LEU 49 HG LEU 49 17.241 -2.947 -21.415 370 HD11 LEU 49 1HD1 LEU 49 18.092 -4.664 -19.892 371 HD12 LEU 49 2HD1 LEU 49 18.572 -3.415 -18.742 372 HD13 LEU 49 3HD1 LEU 49 19.355 -3.507 -20.318 373 HD21 LEU 49 3HD2 LEU 49 15.733 -3.951 -19.766 374 HD22 LEU 49 1HD2 LEU 49 15.279 -2.286 -20.129 375 HD23 LEU 49 2HD2 LEU 49 16.118 -2.664 -18.625 376 H TYR 50 H TYR 50 18.330 0.325 -22.857 377 HA TYR 50 HA TYR 50 18.561 -1.624 -24.849 378 HB2 TYR 50 2HB TYR 50 18.591 1.386 -24.959 379 HB3 TYR 50 3HB TYR 50 18.815 0.433 -26.421 380 HD1 TYR 50 HD2 TYR 50 16.962 -1.638 -26.464 381 HD2 TYR 50 HD1 TYR 50 16.440 2.219 -24.729 382 HE1 TYR 50 HE2 TYR 50 14.532 -1.852 -26.732 383 HE2 TYR 50 HE1 TYR 50 14.006 2.007 -24.995 384 HH TYR 50 HH TYR 50 12.486 -0.916 -25.694 385 H GLU 51 H GLU 51 20.902 0.928 -23.957 386 HA GLU 51 HA GLU 51 22.991 0.229 -25.655 387 HB2 GLU 51 2HB GLU 51 23.140 1.276 -22.815 388 HB3 GLU 51 3HB GLU 51 24.501 1.222 -23.929 389 HG2 GLU 51 2HG GLU 51 23.274 2.737 -25.450 390 HG3 GLU 51 3HG GLU 51 21.972 2.838 -24.262 391 H ARG 52 H ARG 52 22.151 -1.118 -22.486 392 HA ARG 52 HA ARG 52 24.331 -2.868 -22.175 393 HB2 ARG 52 2HB ARG 52 22.712 -2.293 -20.381 394 HB3 ARG 52 3HB ARG 52 21.482 -3.238 -21.209 395 HG2 ARG 52 2HG ARG 52 22.871 -5.262 -20.898 396 HG3 ARG 52 3HG ARG 52 24.040 -4.293 -19.999 397 HD2 ARG 52 2HD ARG 52 22.223 -3.709 -18.392 398 HD3 ARG 52 3HD ARG 52 21.161 -4.827 -19.252 399 HE ARG 52 HE ARG 52 23.685 -5.816 -18.122 400 HH11 ARG 52 1HH1 ARG 52 20.236 -5.816 -18.114 401 HH12 ARG 52 2HH1 ARG 52 20.138 -7.179 -17.062 402 HH21 ARG 52 1HH2 ARG 52 23.550 -7.528 -16.776 403 HH22 ARG 52 2HH2 ARG 52 22.009 -8.150 -16.304 404 H LEU 53 H LEU 53 21.272 -3.228 -23.891 405 HA LEU 53 HA LEU 53 21.896 -5.978 -24.676 406 HB2 LEU 53 2HB LEU 53 19.493 -4.252 -25.294 407 HB3 LEU 53 3HB LEU 53 19.650 -5.955 -25.686 408 HG LEU 53 HG LEU 53 19.559 -4.789 -22.896 409 HD11 LEU 53 1HD1 LEU 53 17.502 -6.379 -24.431 410 HD12 LEU 53 2HD1 LEU 53 17.397 -4.671 -24.001 411 HD13 LEU 53 3HD1 LEU 53 17.380 -5.900 -22.738 412 HD21 LEU 53 3HD2 LEU 53 19.426 -7.134 -22.153 413 HD22 LEU 53 1HD2 LEU 53 20.954 -6.775 -22.956 414 HD23 LEU 53 2HD2 LEU 53 19.696 -7.666 -23.814 415 H ASP 54 H ASP 54 23.176 -3.316 -25.703 416 HA ASP 54 HA ASP 54 24.234 -2.647 -27.587 417 HB2 ASP 54 2HB ASP 54 24.764 -5.088 -27.757 418 HB3 ASP 54 3HB ASP 54 23.350 -5.281 -28.789 419 H ARG 55 H ARG 55 21.105 -2.564 -27.264 420 HA ARG 55 HA ARG 55 20.256 -2.044 -29.988 421 HB2 ARG 55 2HB ARG 55 18.834 -1.551 -27.356 422 HB3 ARG 55 3HB ARG 55 18.106 -1.405 -28.951 423 HG2 ARG 55 2HG ARG 55 19.184 -3.935 -27.711 424 HG3 ARG 55 3HG ARG 55 17.483 -3.502 -27.899 425 HD2 ARG 55 2HD ARG 55 19.475 -4.026 -30.112 426 HD3 ARG 55 3HD ARG 55 18.124 -5.058 -29.639 427 HE ARG 55 HE ARG 55 17.283 -2.424 -30.362 428 HH11 ARG 55 1HH1 ARG 55 18.153 -5.497 -31.653 429 HH12 ARG 55 2HH1 ARG 55 17.264 -5.244 -33.112 430 HH21 ARG 55 1HH2 ARG 55 16.174 -2.107 -32.221 431 HH22 ARG 55 2HH2 ARG 55 16.166 -3.336 -33.441 432 H THR 56 H THR 56 22.177 -0.492 -30.091 433 HA THR 56 HA THR 56 22.376 1.891 -28.691 434 HB THR 56 HB THR 56 23.161 1.466 -31.587 435 HG1 THR 56 HG1 THR 56 24.589 0.121 -30.794 436 HG21 THR 56 3HG2 THR 56 24.236 3.371 -29.494 437 HG22 THR 56 1HG2 THR 56 23.284 3.817 -30.912 438 HG23 THR 56 2HG2 THR 56 24.902 3.145 -31.109 439 H ASP 57 H ASP 57 20.749 1.402 -31.844 440 HA ASP 57 HA ASP 57 19.974 4.097 -32.187 441 HB2 ASP 57 2HB ASP 57 20.077 2.464 -34.029 442 HB3 ASP 57 3HB ASP 57 18.718 1.588 -33.331 443 H ASP 58 H ASP 58 18.160 1.297 -30.944 444 HA ASP 58 HA ASP 58 15.719 2.500 -30.405 445 HB2 ASP 58 2HB ASP 58 17.071 0.382 -28.716 446 HB3 ASP 58 3HB ASP 58 15.341 0.687 -28.834 447 H ALA 59 H ALA 59 18.657 2.430 -28.413 448 HA ALA 59 HA ALA 59 17.647 3.678 -26.112 449 HB1 ALA 59 3HB ALA 59 19.951 4.197 -25.563 450 HB2 ALA 59 1HB ALA 59 20.444 3.905 -27.231 451 HB3 ALA 59 2HB ALA 59 19.852 2.572 -26.241 452 H ILE 60 H ILE 60 19.204 5.101 -28.982 453 HA ILE 60 HA ILE 60 19.240 7.771 -28.163 454 HB ILE 60 HB ILE 60 18.935 6.701 -30.981 455 HG12 ILE 60 2HG1 ILE 60 21.427 7.473 -29.428 456 HG13 ILE 60 3HG1 ILE 60 20.915 5.824 -29.771 457 HG21 ILE 60 1HG2 ILE 60 18.356 9.057 -30.890 458 HG22 ILE 60 2HG2 ILE 60 19.914 8.851 -31.686 459 HG23 ILE 60 3HG2 ILE 60 19.847 9.416 -30.017 460 HD11 ILE 60 3HD1 ILE 60 21.189 6.244 -32.162 461 HD12 ILE 60 1HD1 ILE 60 22.683 6.521 -31.268 462 HD13 ILE 60 2HD1 ILE 60 21.713 7.891 -31.809 463 H ASP 61 H ASP 61 16.735 6.097 -30.106 464 HA ASP 61 HA ASP 61 14.952 8.228 -30.380 465 HB2 ASP 61 2HB ASP 61 14.611 6.207 -31.638 466 HB3 ASP 61 3HB ASP 61 14.426 5.256 -30.167 467 H THR 62 H THR 62 15.157 5.806 -27.794 468 HA THR 62 HA THR 62 12.953 6.585 -26.270 469 HB THR 62 HB THR 62 15.581 5.451 -25.270 470 HG1 THR 62 HG1 THR 62 14.858 3.828 -26.454 471 HG21 THR 62 3HG2 THR 62 14.291 4.639 -23.354 472 HG22 THR 62 1HG2 THR 62 12.842 5.426 -23.979 473 HG23 THR 62 2HG2 THR 62 14.216 6.399 -23.450 474 H TYR 63 H TYR 63 16.343 7.679 -25.991 475 HA TYR 63 HA TYR 63 15.926 9.564 -23.935 476 HB2 TYR 63 2HB TYR 63 17.980 9.597 -26.163 477 HB3 TYR 63 3HB TYR 63 18.026 10.631 -24.740 478 HD1 TYR 63 HD1 TYR 63 17.547 8.996 -22.487 479 HD2 TYR 63 HD2 TYR 63 19.607 7.958 -26.068 480 HE1 TYR 63 HE1 TYR 63 18.811 7.283 -21.261 481 HE2 TYR 63 HE2 TYR 63 20.872 6.241 -24.848 482 HH TYR 63 HH TYR 63 21.488 5.586 -22.691 483 H ALA 64 H ALA 64 15.737 9.871 -27.459 484 HA ALA 64 HA ALA 64 15.479 12.628 -27.702 485 HB1 ALA 64 3HB ALA 64 15.826 11.120 -29.594 486 HB2 ALA 64 1HB ALA 64 14.455 12.194 -29.872 487 HB3 ALA 64 2HB ALA 64 14.181 10.511 -29.417 488 H GLN 65 H GLN 65 12.781 10.257 -27.583 489 HA GLN 65 HA GLN 65 10.718 12.181 -27.443 490 HB2 GLN 65 2HB GLN 65 10.665 9.568 -27.858 491 HB3 GLN 65 3HB GLN 65 10.438 9.493 -26.118 492 HG2 GLN 65 2HG GLN 65 8.670 11.138 -27.914 493 HG3 GLN 65 3HG GLN 65 8.354 9.444 -27.562 494 HE21 GLN 65 1HE2 GLN 65 9.214 9.588 -24.809 495 HE22 GLN 65 2HE2 GLN 65 7.993 10.457 -23.959 496 H GLY 66 H GLY 66 12.644 10.581 -24.958 497 HA2 GLY 66 2HA GLY 66 11.338 11.581 -22.672 498 HA3 GLY 66 3HA GLY 66 13.022 11.090 -22.751 499 H ILE 67 H ILE 67 13.768 13.053 -24.767 500 HA ILE 67 HA ILE 67 14.562 15.195 -23.159 501 HB ILE 67 HB ILE 67 14.372 14.873 -26.154 502 HG12 ILE 67 2HG1 ILE 67 16.741 15.025 -24.268 503 HG13 ILE 67 3HG1 ILE 67 16.060 13.542 -24.932 504 HG21 ILE 67 1HG2 ILE 67 15.580 17.241 -24.730 505 HG22 ILE 67 2HG2 ILE 67 14.098 17.263 -25.681 506 HG23 ILE 67 3HG2 ILE 67 15.642 16.923 -26.463 507 HD11 ILE 67 3HD1 ILE 67 17.347 15.757 -26.517 508 HD12 ILE 67 1HD1 ILE 67 16.667 14.270 -27.179 509 HD13 ILE 67 2HD1 ILE 67 18.071 14.199 -26.115 510 H GLU 68 H GLU 68 11.815 14.911 -25.378 511 HA GLU 68 HA GLU 68 10.916 17.579 -25.150 512 HB2 GLU 68 2HB GLU 68 9.315 15.102 -25.831 513 HB3 GLU 68 3HB GLU 68 8.836 16.764 -26.153 514 HG2 GLU 68 2HG GLU 68 10.877 16.986 -27.590 515 HG3 GLU 68 3HG GLU 68 11.134 15.256 -27.385 516 H VAL 69 H VAL 69 9.820 14.607 -23.471 517 HA VAL 69 HA VAL 69 7.933 15.994 -21.838 518 HB VAL 69 HB VAL 69 7.743 13.958 -20.522 519 HG11 VAL 69 1HG1 VAL 69 6.569 14.059 -22.657 520 HG12 VAL 69 2HG1 VAL 69 7.067 12.408 -22.292 521 HG13 VAL 69 3HG1 VAL 69 7.965 13.358 -23.477 522 HG21 VAL 69 3HG2 VAL 69 10.098 13.335 -20.372 523 HG22 VAL 69 1HG2 VAL 69 10.117 12.929 -22.088 524 HG23 VAL 69 2HG2 VAL 69 9.131 11.987 -20.970 525 H ALA 70 H ALA 70 11.356 15.298 -21.472 526 HA ALA 70 HA ALA 70 11.553 15.768 -18.685 527 HB1 ALA 70 3HB ALA 70 13.298 14.597 -19.924 528 HB2 ALA 70 1HB ALA 70 13.958 15.984 -19.059 529 HB3 ALA 70 2HB ALA 70 13.685 16.078 -20.800 530 H ARG 71 H ARG 71 12.184 17.927 -21.459 531 HA ARG 71 HA ARG 71 12.933 20.162 -19.906 532 HB2 ARG 71 2HB ARG 71 12.586 21.473 -21.977 533 HB3 ARG 71 3HB ARG 71 13.549 20.025 -22.238 534 HG2 ARG 71 2HG ARG 71 11.654 18.889 -23.221 535 HG3 ARG 71 3HG ARG 71 10.604 20.258 -22.854 536 HD2 ARG 71 2HD ARG 71 12.977 20.296 -24.728 537 HD3 ARG 71 3HD ARG 71 11.279 20.259 -25.209 538 HE ARG 71 HE ARG 71 12.650 22.515 -23.904 539 HH11 ARG 71 1HH1 ARG 71 9.967 21.266 -25.686 540 HH12 ARG 71 2HH1 ARG 71 9.308 22.834 -25.983 541 HH21 ARG 71 1HH2 ARG 71 11.771 24.509 -24.292 542 HH22 ARG 71 2HH2 ARG 71 10.302 24.640 -25.194 543 H GLU 72 H GLU 72 9.758 19.167 -21.168 544 HA GLU 72 HA GLU 72 8.534 21.644 -20.255 545 HB2 GLU 72 2HB GLU 72 7.358 19.228 -21.640 546 HB3 GLU 72 3HB GLU 72 6.452 20.681 -21.235 547 HG2 GLU 72 2HG GLU 72 7.979 22.003 -22.652 548 HG3 GLU 72 3HG GLU 72 8.822 20.521 -23.093 549 H GLU 73 H GLU 73 8.086 18.156 -19.501 550 HA GLU 73 HA GLU 73 6.285 18.733 -17.337 551 HB2 GLU 73 2HB GLU 73 7.687 16.170 -18.123 552 HB3 GLU 73 3HB GLU 73 6.504 16.284 -16.830 553 HG2 GLU 73 2HG GLU 73 6.003 16.853 -19.747 554 HG3 GLU 73 3HG GLU 73 5.511 15.408 -18.866 555 H GLY 74 H GLY 74 9.675 17.656 -17.508 556 HA2 GLY 74 2HA GLY 74 9.936 17.849 -14.597 557 HA3 GLY 74 3HA GLY 74 11.129 17.203 -15.710 558 H THR 75 H THR 75 12.840 18.455 -16.201 559 HA THR 75 HA THR 75 12.730 21.311 -16.335 560 HB THR 75 HB THR 75 12.745 21.076 -13.880 561 HG1 THR 75 HG1 THR 75 13.850 22.858 -14.889 562 HG21 THR 75 3HG2 THR 75 15.429 19.731 -14.256 563 HG22 THR 75 1HG2 THR 75 13.952 18.934 -13.714 564 HG23 THR 75 2HG2 THR 75 14.699 20.181 -12.716 565 H GLN 76 H GLN 76 15.107 22.230 -16.449 566 HA GLN 76 HA GLN 76 16.302 21.007 -18.673 567 HB2 GLN 76 2HB GLN 76 16.483 23.396 -18.277 568 HB3 GLN 76 3HB GLN 76 17.418 23.115 -16.815 569 HG2 GLN 76 2HG GLN 76 19.280 22.303 -18.062 570 HG3 GLN 76 3HG GLN 76 18.338 22.250 -19.551 571 HE21 GLN 76 1HE2 GLN 76 17.968 24.150 -20.682 572 HE22 GLN 76 2HE2 GLN 76 18.808 25.615 -20.330 573 H LYS 77 H LYS 77 16.948 20.552 -15.262 574 HA LYS 77 HA LYS 77 19.470 19.343 -15.381 575 HB2 LYS 77 2HB LYS 77 18.360 19.911 -13.272 576 HB3 LYS 77 3HB LYS 77 17.137 18.681 -13.564 577 HG2 LYS 77 2HG LYS 77 18.937 16.956 -13.484 578 HG3 LYS 77 3HG LYS 77 20.075 18.230 -13.044 579 HD2 LYS 77 2HD LYS 77 19.333 17.080 -11.047 580 HD3 LYS 77 3HD LYS 77 18.705 18.730 -11.047 581 HE2 LYS 77 2HE LYS 77 16.538 17.895 -11.860 582 HE3 LYS 77 3HE LYS 77 17.172 16.249 -11.847 583 HZ1 LYS 77 3HZ LYS 77 16.849 18.009 -9.474 584 HZ2 LYS 77 1HZ LYS 77 17.496 16.446 -9.452 585 HZ3 LYS 77 2HZ LYS 77 15.875 16.686 -9.872 586 H ASP 78 H ASP 78 16.253 17.796 -15.575 587 HA ASP 78 HA ASP 78 17.231 15.198 -16.190 588 HB2 ASP 78 2HB ASP 78 14.518 16.386 -16.839 589 HB3 ASP 78 3HB ASP 78 14.919 14.673 -16.741 590 H LEU 79 H LEU 79 16.064 17.891 -18.147 591 HA LEU 79 HA LEU 79 16.179 16.845 -20.705 592 HB2 LEU 79 2HB LEU 79 15.313 19.058 -20.187 593 HB3 LEU 79 3HB LEU 79 16.908 19.607 -19.715 594 HG LEU 79 HG LEU 79 17.659 19.297 -22.073 595 HD11 LEU 79 1HD1 LEU 79 16.030 17.633 -22.765 596 HD12 LEU 79 2HD1 LEU 79 15.977 19.043 -23.822 597 HD13 LEU 79 3HD1 LEU 79 14.730 18.814 -22.596 598 HD21 LEU 79 3HD2 LEU 79 15.315 21.164 -21.686 599 HD22 LEU 79 1HD2 LEU 79 16.550 21.296 -22.939 600 HD23 LEU 79 2HD2 LEU 79 16.990 21.494 -21.243 601 H SER 80 H SER 80 18.828 18.218 -18.769 602 HA SER 80 HA SER 80 20.846 18.043 -20.744 603 HB2 SER 80 2HB SER 80 21.120 19.446 -18.753 604 HB3 SER 80 3HB SER 80 21.109 18.018 -17.719 605 HG SER 80 HG SER 80 23.229 18.616 -18.074 606 H GLU 81 H GLU 81 19.947 15.820 -18.118 607 HA GLU 81 HA GLU 81 21.946 13.907 -18.431 608 HB2 GLU 81 2HB GLU 81 19.065 13.560 -17.566 609 HB3 GLU 81 3HB GLU 81 20.296 12.318 -17.396 610 HG2 GLU 81 2HG GLU 81 20.481 15.045 -16.129 611 HG3 GLU 81 3HG GLU 81 19.805 13.630 -15.326 612 H LEU 82 H LEU 82 18.754 14.062 -20.007 613 HA LEU 82 HA LEU 82 19.052 11.599 -21.406 614 HB2 LEU 82 2HB LEU 82 17.170 13.909 -21.889 615 HB3 LEU 82 3HB LEU 82 17.036 12.334 -22.652 616 HG LEU 82 HG LEU 82 16.814 12.876 -19.685 617 HD11 LEU 82 1HD1 LEU 82 14.714 12.139 -21.719 618 HD12 LEU 82 2HD1 LEU 82 14.869 13.682 -20.876 619 HD13 LEU 82 3HD1 LEU 82 14.464 12.222 -19.975 620 HD21 LEU 82 3HD2 LEU 82 16.169 10.532 -19.486 621 HD22 LEU 82 1HD2 LEU 82 17.802 10.688 -20.133 622 HD23 LEU 82 2HD2 LEU 82 16.461 10.295 -21.210 623 H GLN 83 H GLN 83 19.464 14.997 -22.461 624 HA GLN 83 HA GLN 83 20.109 14.467 -25.147 625 HB2 GLN 83 2HB GLN 83 21.079 16.687 -23.331 626 HB3 GLN 83 3HB GLN 83 21.363 16.643 -25.066 627 HG2 GLN 83 2HG GLN 83 18.953 16.710 -25.470 628 HG3 GLN 83 3HG GLN 83 18.661 16.748 -23.730 629 HE21 GLN 83 1HE2 GLN 83 19.231 18.607 -22.570 630 HE22 GLN 83 2HE2 GLN 83 19.470 20.128 -23.353 631 H ASP 84 H ASP 84 22.254 14.829 -22.335 632 HA ASP 84 HA ASP 84 24.695 14.297 -23.572 633 HB2 ASP 84 2HB ASP 84 24.402 15.164 -21.267 634 HB3 ASP 84 3HB ASP 84 23.829 13.579 -20.756 635 H ALA 85 H ALA 85 22.253 12.102 -22.303 636 HA ALA 85 HA ALA 85 23.723 9.707 -22.397 637 HB1 ALA 85 3HB ALA 85 21.661 9.947 -21.122 638 HB2 ALA 85 1HB ALA 85 21.565 8.583 -22.236 639 HB3 ALA 85 2HB ALA 85 20.742 10.096 -22.621 640 H LYS 86 H LYS 86 21.455 11.085 -24.830 641 HA LYS 86 HA LYS 86 22.050 9.020 -26.743 642 HB2 LYS 86 2HB LYS 86 20.808 10.391 -28.362 643 HB3 LYS 86 3HB LYS 86 19.912 10.168 -26.866 644 HG2 LYS 86 2HG LYS 86 20.328 12.393 -26.169 645 HG3 LYS 86 3HG LYS 86 21.535 12.642 -27.430 646 HD2 LYS 86 2HD LYS 86 18.589 12.156 -27.925 647 HD3 LYS 86 3HD LYS 86 19.365 13.741 -27.919 648 HE2 LYS 86 2HE LYS 86 20.851 12.965 -29.757 649 HE3 LYS 86 3HE LYS 86 19.946 11.451 -29.804 650 HZ1 LYS 86 3HZ LYS 86 19.179 12.976 -31.493 651 HZ2 LYS 86 1HZ LYS 86 18.841 14.158 -30.331 652 HZ3 LYS 86 2HZ LYS 86 17.955 12.718 -30.359 653 H LEU 87 H LEU 87 23.303 12.245 -26.102 654 HA LEU 87 HA LEU 87 24.724 12.767 -28.428 655 HB2 LEU 87 2HB LEU 87 24.420 14.386 -26.609 656 HB3 LEU 87 3HB LEU 87 25.489 13.448 -25.583 657 HG LEU 87 HG LEU 87 27.353 13.907 -27.184 658 HD11 LEU 87 1HD1 LEU 87 27.061 15.719 -28.825 659 HD12 LEU 87 2HD1 LEU 87 25.332 15.743 -28.475 660 HD13 LEU 87 3HD1 LEU 87 26.067 14.312 -29.199 661 HD21 LEU 87 3HD2 LEU 87 25.994 16.344 -26.027 662 HD22 LEU 87 1HD2 LEU 87 27.692 16.228 -26.492 663 HD23 LEU 87 2HD2 LEU 87 27.073 15.249 -25.163 664 H LYS 88 H LYS 88 25.926 11.121 -25.490 665 HA LYS 88 HA LYS 88 28.486 10.524 -26.467 666 HB2 LYS 88 2HB LYS 88 28.564 8.776 -24.713 667 HB3 LYS 88 3HB LYS 88 27.997 10.327 -24.108 668 HG2 LYS 88 2HG LYS 88 25.694 9.532 -24.163 669 HG3 LYS 88 3HG LYS 88 26.233 7.988 -24.828 670 HD2 LYS 88 2HD LYS 88 27.541 7.577 -22.783 671 HD3 LYS 88 3HD LYS 88 26.973 9.111 -22.118 672 HE2 LYS 88 2HE LYS 88 25.713 7.123 -21.292 673 HE3 LYS 88 3HE LYS 88 24.702 8.331 -22.085 674 HZ1 LYS 88 3HZ LYS 88 25.733 5.875 -23.403 675 HZ2 LYS 88 1HZ LYS 88 24.648 6.995 -24.058 676 HZ3 LYS 88 2HZ LYS 88 24.182 6.032 -22.751 677 H ALA 89 H ALA 89 25.421 8.831 -26.907 678 HA ALA 89 HA ALA 89 26.450 6.451 -28.056 679 HB1 ALA 89 3HB ALA 89 23.768 7.763 -28.528 680 HB2 ALA 89 1HB ALA 89 24.147 6.636 -27.226 681 HB3 ALA 89 2HB ALA 89 24.186 6.090 -28.903 682 H GLU 90 H GLU 90 25.355 9.512 -29.502 683 HA GLU 90 HA GLU 90 25.934 8.903 -32.186 684 HB2 GLU 90 2HB GLU 90 25.943 11.527 -30.681 685 HB3 GLU 90 3HB GLU 90 26.136 11.414 -32.425 686 HG2 GLU 90 2HG GLU 90 23.747 10.294 -30.981 687 HG3 GLU 90 3HG GLU 90 23.820 11.952 -31.568 688 H GLY 91 H GLY 91 27.963 10.220 -29.591 689 HA2 GLY 91 2HA GLY 91 30.242 10.608 -31.336 690 HA3 GLY 91 3HA GLY 91 30.184 10.898 -29.609 691 H LEU 92 H LEU 92 29.057 7.786 -30.036 692 HA LEU 92 HA LEU 92 31.323 6.530 -28.950 693 HB2 LEU 92 2HB LEU 92 28.970 5.391 -30.460 694 HB3 LEU 92 3HB LEU 92 30.227 4.376 -29.779 695 HG LEU 92 HG LEU 92 28.397 6.209 -28.216 696 HD11 LEU 92 1HD1 LEU 92 28.482 3.196 -28.426 697 HD12 LEU 92 2HD1 LEU 92 27.229 4.257 -29.073 698 HD13 LEU 92 3HD1 LEU 92 27.455 4.121 -27.331 699 HD21 LEU 92 3HD2 LEU 92 30.580 6.064 -27.155 700 HD22 LEU 92 1HD2 LEU 92 30.541 4.302 -27.262 701 HD23 LEU 92 2HD2 LEU 92 29.390 5.152 -26.228 702 H GLU 93 H GLU 93 30.086 6.030 -32.272 703 HA GLU 93 HA GLU 93 32.774 6.126 -33.350 704 HB2 GLU 93 2HB GLU 93 32.762 3.892 -34.295 705 HB3 GLU 93 3HB GLU 93 32.586 3.794 -32.548 706 HG2 GLU 93 2HG GLU 93 30.210 3.371 -32.775 707 HG3 GLU 93 3HG GLU 93 30.317 3.571 -34.524 708 H HIS 94 H HIS 94 32.409 5.063 -35.832 709 HA HIS 94 HA HIS 94 30.984 7.154 -37.126 710 HB2 HIS 94 2HB HIS 94 32.077 4.591 -38.316 711 HB3 HIS 94 3HB HIS 94 31.618 6.034 -39.214 712 HD1 HIS 94 HD1 HIS 94 34.352 4.584 -37.158 713 HD2 HIS 94 HD2 HIS 94 33.447 8.199 -38.998 714 HE1 HIS 94 HE1 HIS 94 36.489 5.897 -37.147 715 HE2 HIS 94 HE2 HIS 94 35.886 8.125 -38.143 716 H HIS 95 H HIS 95 28.804 7.262 -37.175 717 HA HIS 95 HA HIS 95 27.122 4.923 -37.245 718 HB2 HIS 95 2HB HIS 95 26.514 7.868 -37.605 719 HB3 HIS 95 3HB HIS 95 25.278 6.615 -37.648 720 HD1 HIS 95 HD1 HIS 95 24.128 6.335 -35.484 721 HD2 HIS 95 HD2 HIS 95 28.049 7.616 -34.967 722 HE1 HIS 95 HE1 HIS 95 24.427 6.602 -33.008 723 HE2 HIS 95 HE2 HIS 95 26.830 7.272 -32.711 724 H HIS 96 H HIS 96 28.348 7.232 -39.608 725 HA HIS 96 HA HIS 96 27.013 5.933 -41.834 726 HB2 HIS 96 2HB HIS 96 29.213 8.019 -41.798 727 HB3 HIS 96 3HB HIS 96 28.354 7.477 -43.235 728 HD1 HIS 96 HD1 HIS 96 28.143 9.835 -40.418 729 HD2 HIS 96 HD2 HIS 96 25.594 8.300 -43.320 730 HE1 HIS 96 HE1 HIS 96 26.147 11.353 -40.430 731 HE2 HIS 96 HE2 HIS 96 24.732 10.532 -42.338 732 H HIS 97 H HIS 97 27.690 3.941 -42.399 733 HA HIS 97 HA HIS 97 30.356 3.037 -41.731 734 HB2 HIS 97 2HB HIS 97 27.976 1.649 -42.966 735 HB3 HIS 97 3HB HIS 97 29.523 0.848 -42.693 736 HD1 HIS 97 HD1 HIS 97 26.617 2.340 -40.814 737 HD2 HIS 97 HD2 HIS 97 30.057 0.139 -40.067 738 HE1 HIS 97 HE1 HIS 97 26.432 1.596 -38.428 739 HE2 HIS 97 HE2 HIS 97 28.631 0.477 -37.942 740 H HIS 98 H HIS 98 29.342 4.812 -44.268 741 HA HIS 98 HA HIS 98 31.811 4.124 -45.646 742 HB2 HIS 98 2HB HIS 98 30.795 4.135 -47.887 743 HB3 HIS 98 3HB HIS 98 30.172 2.820 -46.902 744 HD1 HIS 98 HD1 HIS 98 27.727 2.543 -47.028 745 HD2 HIS 98 HD2 HIS 98 28.864 6.444 -47.886 746 HE1 HIS 98 HE1 HIS 98 25.617 3.727 -47.687 747 HE2 HIS 98 HE2 HIS 98 26.354 6.037 -48.346 748 H HIS 99 H HIS 99 32.251 5.805 -47.442 749 HA HIS 99 HA HIS 99 31.335 8.467 -46.518 750 HB2 HIS 99 2HB HIS 99 34.066 7.660 -47.552 751 HB3 HIS 99 3HB HIS 99 33.570 9.325 -47.267 752 HD1 HIS 99 HD1 HIS 99 33.524 10.150 -44.854 753 HD2 HIS 99 HD2 HIS 99 34.504 6.126 -45.205 754 HE1 HIS 99 HE1 HIS 99 34.372 9.465 -42.596 755 HE2 HIS 99 HE2 HIS 99 35.144 7.091 -42.892
Contact the webmaster for help, if required. Saturday, September 21, 2024 1:28:22 AM GMT (wattos1)