NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
639841 | 6qkq | 34359 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 65 1HT MET 65 10.957 -4.225 4.737 2 HA MET 65 HA MET 65 13.883 -4.404 4.548 3 HB2 MET 65 2HB MET 65 13.033 -2.172 4.002 4 HB3 MET 65 1HB MET 65 11.993 -2.189 5.409 5 HG2 MET 65 2HG MET 65 14.030 -2.245 6.832 6 HG3 MET 65 1HG MET 65 14.998 -2.095 5.366 7 HE1 MET 65 1HE MET 65 13.280 -0.081 3.580 8 HE2 MET 65 2HE MET 65 15.025 0.049 3.807 9 HE3 MET 65 3HE MET 65 13.997 1.457 4.059 10 H SER 66 H SER 66 14.858 -4.747 6.585 11 HA SER 66 HA SER 66 15.122 -5.133 8.789 12 HB2 SER 66 2HB SER 66 12.203 -4.482 9.212 13 HB3 SER 66 1HB SER 66 13.501 -4.407 10.402 14 HG SER 66 HG SER 66 12.625 -2.539 8.783 15 H GLY 67 H GLY 67 12.073 -6.437 7.595 16 HA2 GLY 67 2HA GLY 67 11.613 -8.778 7.464 17 HA3 GLY 67 1HA GLY 67 12.745 -9.032 8.798 18 H SER 68 H SER 68 10.094 -6.755 8.349 19 HA SER 68 HA SER 68 9.338 -6.821 11.036 20 HB2 SER 68 2HB SER 68 7.387 -5.477 10.085 21 HB3 SER 68 1HB SER 68 9.003 -4.824 9.809 22 HG SER 68 HG SER 68 8.018 -4.743 7.834 23 H GLY 69 H GLY 69 7.693 -7.857 12.059 24 HA2 GLY 69 2HA GLY 69 6.514 -10.160 10.821 25 HA3 GLY 69 1HA GLY 69 6.219 -9.580 12.465 26 H ARG 70 H ARG 70 5.348 -9.319 9.140 27 HA ARG 70 HA ARG 70 3.694 -8.426 7.994 28 HB2 ARG 70 2HB ARG 70 2.134 -8.470 10.602 29 HB3 ARG 70 1HB ARG 70 1.444 -7.980 9.071 30 HG2 ARG 70 2HG ARG 70 0.747 -10.205 9.453 31 HG3 ARG 70 1HG ARG 70 1.994 -10.283 8.212 32 HD2 ARG 70 2HD ARG 70 3.635 -10.890 9.930 33 HD3 ARG 70 1HD ARG 70 2.364 -10.831 11.148 34 HE ARG 70 HE ARG 70 1.942 -12.611 8.907 35 HH11 ARG 70 1HH1 ARG 70 2.820 -12.264 12.347 36 HH12 ARG 70 2HH1 ARG 70 2.802 -13.935 12.624 37 HH21 ARG 70 1HH2 ARG 70 1.907 -14.918 9.368 38 HH22 ARG 70 2HH2 ARG 70 2.271 -15.435 10.956 39 H GLY 71 H GLY 71 5.253 -6.739 7.843 40 HA2 GLY 71 2HA GLY 71 4.926 -4.320 9.274 41 HA3 GLY 71 1HA GLY 71 5.756 -4.509 7.726 42 H ARG 72 H ARG 72 3.671 -5.652 6.324 43 HA ARG 72 HA ARG 72 1.877 -5.260 5.060 44 HB2 ARG 72 2HB ARG 72 0.935 -3.563 7.387 45 HB3 ARG 72 1HB ARG 72 -0.061 -4.015 6.011 46 HG2 ARG 72 2HG ARG 72 1.192 -5.955 7.954 47 HG3 ARG 72 1HG ARG 72 -0.484 -5.410 7.997 48 HD2 ARG 72 2HD ARG 72 0.814 -6.921 5.715 49 HD3 ARG 72 1HD ARG 72 -0.264 -7.616 6.921 50 HE ARG 72 HE ARG 72 -1.649 -5.515 5.855 51 HH11 ARG 72 1HH1 ARG 72 -0.281 -8.505 4.487 52 HH12 ARG 72 2HH1 ARG 72 -1.477 -8.601 3.265 53 HH21 ARG 72 1HH2 ARG 72 -3.190 -5.682 4.210 54 HH22 ARG 72 2HH2 ARG 72 -3.161 -6.968 3.084 55 H GLY 73 H GLY 73 0.405 -3.252 4.250 56 HA2 GLY 73 2HA GLY 73 1.388 -0.748 3.972 57 HA3 GLY 73 1HA GLY 73 2.285 -1.704 2.793 58 H ALA 74 H ALA 74 -0.902 -0.684 3.804 59 HA ALA 74 HA ALA 74 -1.781 -0.987 1.054 60 HB1 ALA 74 1HB ALA 74 -3.386 -1.783 3.489 61 HB2 ALA 74 2HB ALA 74 -2.683 -2.895 2.318 62 HB3 ALA 74 3HB ALA 74 -3.968 -1.793 1.823 63 H ILE 75 H ILE 75 -2.280 0.934 0.377 64 HA ILE 75 HA ILE 75 -3.334 2.910 2.265 65 HB ILE 75 HB ILE 75 -1.795 3.309 -0.322 66 HG12 ILE 75 2HG1 ILE 75 -0.455 2.470 1.496 67 HG13 ILE 75 1HG1 ILE 75 0.050 4.100 1.002 68 HG21 ILE 75 1HG2 ILE 75 -1.727 5.680 0.222 69 HG22 ILE 75 2HG2 ILE 75 -2.721 5.387 1.647 70 HG23 ILE 75 3HG2 ILE 75 -3.387 5.103 0.035 71 HD11 ILE 75 1HD1 ILE 75 -1.513 3.298 3.455 72 HD12 ILE 75 2HD1 ILE 75 -1.151 4.964 2.998 73 HD13 ILE 75 3HD1 ILE 75 0.159 3.857 3.413 74 H ASP 76 H ASP 76 -5.149 3.967 1.520 75 HA ASP 76 HA ASP 76 -6.392 2.690 -0.732 76 HB2 ASP 76 2HB ASP 76 -7.576 4.381 1.411 77 HB3 ASP 76 1HB ASP 76 -8.402 4.287 -0.142 78 H ARG 77 H ARG 77 -4.915 3.304 -1.979 79 HA ARG 77 HA ARG 77 -5.650 4.947 -4.010 80 HB2 ARG 77 2HB ARG 77 -3.701 6.188 -2.120 81 HB3 ARG 77 1HB ARG 77 -3.239 6.190 -3.819 82 HG2 ARG 77 2HG ARG 77 -5.267 7.268 -4.406 83 HG3 ARG 77 1HG ARG 77 -5.811 7.297 -2.721 84 HD2 ARG 77 2HD ARG 77 -3.415 8.710 -3.909 85 HD3 ARG 77 1HD ARG 77 -4.899 9.474 -3.345 86 HE ARG 77 HE ARG 77 -2.779 8.310 -1.700 87 HH11 ARG 77 1HH1 ARG 77 -5.859 10.074 -1.824 88 HH12 ARG 77 2HH1 ARG 77 -5.699 10.734 -0.270 89 HH21 ARG 77 1HH2 ARG 77 -2.534 9.245 0.386 90 HH22 ARG 77 2HH2 ARG 77 -3.743 10.265 1.029 91 H GLU 78 H GLU 78 -4.195 4.537 -5.748 92 HA GLU 78 HA GLU 78 -3.231 1.903 -5.392 93 HB2 GLU 78 2HB GLU 78 -4.463 2.684 -7.359 94 HB3 GLU 78 1HB GLU 78 -3.083 3.671 -7.801 95 HG2 GLU 78 2HG GLU 78 -3.201 1.460 -9.013 96 HG3 GLU 78 1HG GLU 78 -1.692 1.746 -8.142 97 H GLN 79 H GLN 79 -1.372 1.372 -4.671 98 HA GLN 79 HA GLN 79 0.907 3.197 -5.012 99 HB2 GLN 79 2HB GLN 79 0.457 1.102 -2.887 100 HB3 GLN 79 1HB GLN 79 1.867 2.135 -3.021 101 HG2 GLN 79 2HG GLN 79 -0.947 3.050 -2.489 102 HG3 GLN 79 1HG GLN 79 0.343 2.920 -1.297 103 HE21 GLN 79 1HE2 GLN 79 -1.223 5.197 -2.153 104 HE22 GLN 79 2HE2 GLN 79 -0.090 6.394 -2.668 105 H SER 80 H SER 80 -0.332 0.127 -5.889 106 HA SER 80 HA SER 80 1.915 -1.519 -5.671 107 HB2 SER 80 2HB SER 80 -0.219 -1.777 -7.785 108 HB3 SER 80 1HB SER 80 0.741 -3.063 -7.049 109 HG SER 80 HG SER 80 -1.260 -1.452 -5.897 110 H ALA 81 H ALA 81 0.867 0.436 -8.434 111 HA ALA 81 HA ALA 81 2.889 -0.370 -10.221 112 HB1 ALA 81 1HB ALA 81 0.894 0.841 -10.974 113 HB2 ALA 81 2HB ALA 81 2.357 1.690 -11.464 114 HB3 ALA 81 3HB ALA 81 1.421 2.268 -10.087 115 H ALA 82 H ALA 82 2.728 2.172 -7.830 116 HA ALA 82 HA ALA 82 5.175 3.420 -8.508 117 HB1 ALA 82 1HB ALA 82 3.606 3.569 -5.937 118 HB2 ALA 82 2HB ALA 82 3.374 4.608 -7.342 119 HB3 ALA 82 3HB ALA 82 4.887 4.671 -6.437 120 H ILE 83 H ILE 83 4.248 0.928 -6.199 121 HA ILE 83 HA ILE 83 6.698 0.713 -4.852 122 HB ILE 83 HB ILE 83 4.761 -1.551 -5.494 123 HG12 ILE 83 2HG1 ILE 83 4.922 0.233 -3.050 124 HG13 ILE 83 1HG1 ILE 83 3.704 0.344 -4.309 125 HG21 ILE 83 1HG2 ILE 83 5.736 -2.662 -3.521 126 HG22 ILE 83 2HG2 ILE 83 6.887 -1.336 -3.350 127 HG23 ILE 83 3HG2 ILE 83 6.947 -2.379 -4.772 128 HD11 ILE 83 1HD1 ILE 83 2.854 -0.773 -2.328 129 HD12 ILE 83 2HD1 ILE 83 4.128 -1.984 -2.461 130 HD13 ILE 83 3HD1 ILE 83 2.883 -1.878 -3.705 131 H ARG 84 H ARG 84 5.537 -0.812 -7.807 132 HA ARG 84 HA ARG 84 7.853 -2.369 -8.272 133 HB2 ARG 84 2HB ARG 84 5.847 -1.338 -10.279 134 HB3 ARG 84 1HB ARG 84 7.060 -2.567 -10.613 135 HG2 ARG 84 2HG ARG 84 6.020 -3.995 -8.881 136 HG3 ARG 84 1HG ARG 84 4.775 -2.768 -8.667 137 HD2 ARG 84 2HD ARG 84 5.357 -4.312 -11.193 138 HD3 ARG 84 1HD ARG 84 3.991 -4.552 -10.110 139 HE ARG 84 HE ARG 84 4.371 -1.988 -11.494 140 HH11 ARG 84 1HH1 ARG 84 2.365 -4.866 -10.880 141 HH12 ARG 84 2HH1 ARG 84 1.045 -4.284 -11.762 142 HH21 ARG 84 1HH2 ARG 84 2.548 -1.225 -12.739 143 HH22 ARG 84 2HH2 ARG 84 1.155 -2.172 -12.847 144 H GLU 85 H GLU 85 6.938 0.854 -9.372 145 HA GLU 85 HA GLU 85 9.261 1.207 -10.966 146 HB2 GLU 85 2HB GLU 85 7.336 3.234 -9.849 147 HB3 GLU 85 1HB GLU 85 8.638 3.629 -10.964 148 HG2 GLU 85 2HG GLU 85 7.692 2.125 -12.620 149 HG3 GLU 85 1HG GLU 85 6.392 1.717 -11.502 150 H TRP 86 H TRP 86 8.488 2.111 -7.655 151 HA TRP 86 HA TRP 86 10.879 3.462 -7.073 152 HB2 TRP 86 2HB TRP 86 8.982 3.648 -5.595 153 HB3 TRP 86 1HB TRP 86 8.930 1.913 -5.359 154 HD1 TRP 86 HD TRP 86 10.762 5.049 -4.146 155 HE1 TRP 86 1HE TRP 86 12.062 4.444 -2.008 156 HE3 TRP 86 3HE TRP 86 10.068 0.015 -4.206 157 HZ2 TRP 86 2HZ TRP 86 12.719 2.089 -0.548 158 HZ3 TRP 86 3HZ TRP 86 11.060 -1.351 -2.432 159 HH2 TRP 86 HH TRP 86 12.354 -0.330 -0.633 160 H ALA 87 H ALA 87 9.962 0.072 -6.898 161 HA ALA 87 HA ALA 87 12.319 -0.962 -5.820 162 HB1 ALA 87 1HB ALA 87 10.273 -2.261 -5.971 163 HB2 ALA 87 2HB ALA 87 11.561 -3.104 -6.841 164 HB3 ALA 87 3HB ALA 87 10.335 -2.189 -7.725 165 H ARG 88 H ARG 88 11.285 -0.581 -9.199 166 HA ARG 88 HA ARG 88 13.649 -1.466 -10.439 167 HB2 ARG 88 2HB ARG 88 11.568 0.516 -11.375 168 HB3 ARG 88 1HB ARG 88 12.866 -0.082 -12.396 169 HG2 ARG 88 2HG ARG 88 11.997 -2.323 -12.285 170 HG3 ARG 88 1HG ARG 88 10.792 -1.838 -11.086 171 HD2 ARG 88 2HD ARG 88 9.830 -2.035 -13.336 172 HD3 ARG 88 1HD ARG 88 9.721 -0.395 -12.708 173 HE ARG 88 HE ARG 88 11.911 -1.146 -14.499 174 HH11 ARG 88 1HH1 ARG 88 8.922 0.685 -14.015 175 HH12 ARG 88 2HH1 ARG 88 9.250 1.853 -15.204 176 HH21 ARG 88 1HH2 ARG 88 12.356 0.433 -16.213 177 HH22 ARG 88 2HH2 ARG 88 11.267 1.706 -16.460 178 H ARG 89 H ARG 89 12.653 1.733 -9.399 179 HA ARG 89 HA ARG 89 14.797 3.291 -10.242 180 HB2 ARG 89 2HB ARG 89 12.730 4.219 -9.384 181 HB3 ARG 89 1HB ARG 89 13.022 3.502 -7.814 182 HG2 ARG 89 2HG ARG 89 14.945 4.996 -7.509 183 HG3 ARG 89 1HG ARG 89 14.605 5.723 -9.083 184 HD2 ARG 89 2HD ARG 89 12.410 6.417 -8.320 185 HD3 ARG 89 1HD ARG 89 12.685 5.651 -6.759 186 HE ARG 89 HE ARG 89 14.747 7.380 -7.008 187 HH11 ARG 89 1HH1 ARG 89 11.211 7.764 -7.177 188 HH12 ARG 89 2HH1 ARG 89 11.217 9.345 -6.578 189 HH21 ARG 89 1HH2 ARG 89 14.744 9.602 -6.275 190 HH22 ARG 89 2HH2 ARG 89 13.263 10.434 -6.108 191 H ASN 90 H ASN 90 14.404 1.368 -7.316 192 HA ASN 90 HA ASN 90 17.021 2.135 -6.355 193 HB2 ASN 90 2HB ASN 90 14.875 0.392 -5.235 194 HB3 ASN 90 1HB ASN 90 16.488 0.336 -4.549 195 HD21 ASN 90 1HD2 ASN 90 13.601 2.137 -4.905 196 HD22 ASN 90 2HD2 ASN 90 13.980 3.386 -3.780 197 H GLY 91 H GLY 91 15.751 -0.306 -8.304 198 HA2 GLY 91 2HA GLY 91 17.041 -1.741 -9.610 199 HA3 GLY 91 1HA GLY 91 18.415 -1.446 -8.547 200 H HIS 92 H HIS 92 15.234 -2.326 -7.444 201 HA HIS 92 HA HIS 92 16.347 -4.600 -6.057 202 HB2 HIS 92 2HB HIS 92 13.494 -3.601 -6.174 203 HB3 HIS 92 1HB HIS 92 14.047 -4.920 -5.158 204 HD1 HIS 92 1HD HIS 92 16.719 -3.254 -4.239 205 HD2 HIS 92 2HD HIS 92 12.756 -2.036 -4.061 206 HE1 HIS 92 1HE HIS 92 16.602 -1.454 -2.474 207 H ASN 93 H ASN 93 15.164 -6.701 -6.139 208 HA ASN 93 HA ASN 93 14.941 -7.387 -8.928 209 HB2 ASN 93 2HB ASN 93 15.216 -9.138 -6.473 210 HB3 ASN 93 1HB ASN 93 15.024 -9.769 -8.107 211 HD21 ASN 93 1HD2 ASN 93 17.269 -9.978 -6.167 212 HD22 ASN 93 2HD2 ASN 93 18.648 -9.371 -7.006 213 H VAL 94 H VAL 94 13.067 -6.339 -9.215 214 HA VAL 94 HA VAL 94 10.670 -7.927 -8.712 215 HB VAL 94 HB VAL 94 10.780 -4.865 -8.619 216 HG11 VAL 94 1HG1 VAL 94 8.460 -6.726 -8.107 217 HG12 VAL 94 2HG1 VAL 94 8.674 -5.686 -9.515 218 HG13 VAL 94 3HG1 VAL 94 8.427 -4.973 -7.921 219 HG21 VAL 94 1HG2 VAL 94 11.746 -5.763 -6.573 220 HG22 VAL 94 2HG2 VAL 94 10.329 -6.783 -6.333 221 HG23 VAL 94 3HG2 VAL 94 10.177 -5.028 -6.241 222 H SER 95 H SER 95 9.197 -7.693 -10.567 223 HA SER 95 HA SER 95 8.621 -7.461 -12.726 224 HB2 SER 95 2HB SER 95 11.005 -5.597 -13.040 225 HB3 SER 95 1HB SER 95 9.762 -5.874 -14.258 226 HG SER 95 HG SER 95 8.242 -5.087 -12.659 227 H THR 96 H THR 96 12.020 -7.941 -12.110 228 HA THR 96 HA THR 96 12.308 -9.817 -14.253 229 HB THR 96 HB THR 96 14.588 -10.026 -13.148 230 HG1 THR 96 1HG THR 96 14.999 -8.570 -11.476 231 HG21 THR 96 1HG2 THR 96 15.273 -7.724 -13.770 232 HG22 THR 96 2HG2 THR 96 13.561 -7.265 -13.793 233 HG23 THR 96 3HG2 THR 96 14.169 -8.425 -14.962 234 H ARG 97 H ARG 97 11.098 -9.664 -11.175 235 HA ARG 97 HA ARG 97 11.152 -12.565 -10.754 236 HB2 ARG 97 2HB ARG 97 11.117 -10.351 -8.682 237 HB3 ARG 97 1HB ARG 97 10.999 -12.063 -8.329 238 HG2 ARG 97 2HG ARG 97 13.385 -10.753 -9.623 239 HG3 ARG 97 1HG ARG 97 13.234 -11.082 -7.898 240 HD2 ARG 97 2HD ARG 97 13.183 -13.140 -10.101 241 HD3 ARG 97 1HD ARG 97 14.557 -12.788 -9.054 242 HE ARG 97 HE ARG 97 11.983 -13.767 -8.040 243 HH11 ARG 97 1HH1 ARG 97 15.526 -14.037 -8.167 244 HH12 ARG 97 2HH1 ARG 97 15.611 -15.239 -6.974 245 HH21 ARG 97 1HH2 ARG 97 12.113 -15.413 -6.380 246 HH22 ARG 97 2HH2 ARG 97 13.633 -16.021 -5.916 247 H GLY 98 H GLY 98 9.146 -13.374 -10.055 248 HA2 GLY 98 2HA GLY 98 6.899 -11.880 -11.007 249 HA3 GLY 98 1HA GLY 98 6.870 -13.508 -10.335 250 H ARG 99 H ARG 99 5.023 -11.420 -9.822 251 HA ARG 99 HA ARG 99 3.852 -10.424 -8.164 252 HB2 ARG 99 2HB ARG 99 5.554 -12.197 -6.411 253 HB3 ARG 99 1HB ARG 99 4.309 -11.159 -5.763 254 HG2 ARG 99 2HG ARG 99 2.673 -12.391 -7.191 255 HG3 ARG 99 1HG ARG 99 3.981 -13.503 -7.604 256 HD2 ARG 99 2HD ARG 99 2.634 -14.371 -5.752 257 HD3 ARG 99 1HD ARG 99 4.299 -14.055 -5.263 258 HE ARG 99 HE ARG 99 2.356 -11.945 -4.759 259 HH11 ARG 99 1HH1 ARG 99 4.262 -14.607 -3.361 260 HH12 ARG 99 2HH1 ARG 99 3.974 -14.095 -1.749 261 HH21 ARG 99 1HH2 ARG 99 2.016 -11.293 -2.525 262 HH22 ARG 99 2HH2 ARG 99 2.717 -12.206 -1.277 263 H ILE 100 H ILE 100 4.292 -9.318 -5.847 264 HA ILE 100 HA ILE 100 6.719 -7.713 -6.101 265 HB ILE 100 HB ILE 100 4.084 -6.941 -4.789 266 HG12 ILE 100 2HG1 ILE 100 5.313 -5.853 -7.342 267 HG13 ILE 100 1HG1 ILE 100 3.930 -6.938 -7.273 268 HG21 ILE 100 1HG2 ILE 100 6.608 -5.343 -5.230 269 HG22 ILE 100 2HG2 ILE 100 6.039 -6.011 -3.701 270 HG23 ILE 100 3HG2 ILE 100 5.113 -4.736 -4.502 271 HD11 ILE 100 1HD1 ILE 100 3.238 -4.627 -7.646 272 HD12 ILE 100 2HD1 ILE 100 4.030 -4.138 -6.150 273 HD13 ILE 100 3HD1 ILE 100 2.641 -5.224 -6.099 274 HA PRO 101 HA PRO 101 7.560 -10.011 -2.263 275 HB2 PRO 101 2HB PRO 101 9.642 -7.926 -2.013 276 HB3 PRO 101 1HB PRO 101 9.827 -9.689 -2.003 277 HG2 PRO 101 2HG PRO 101 10.643 -8.307 -4.083 278 HG3 PRO 101 1HG PRO 101 9.833 -9.874 -4.284 279 HD2 PRO 101 2HD PRO 101 8.727 -7.140 -4.709 280 HD3 PRO 101 1HD PRO 101 8.483 -8.636 -5.641 281 H ALA 102 H ALA 102 6.520 -9.736 -0.495 282 HA ALA 102 HA ALA 102 5.226 -7.388 0.291 283 HB1 ALA 102 1HB ALA 102 4.521 -9.625 1.029 284 HB2 ALA 102 2HB ALA 102 4.763 -8.540 2.400 285 HB3 ALA 102 3HB ALA 102 5.984 -9.755 2.005 286 H ASP 103 H ASP 103 8.336 -8.703 1.085 287 HA ASP 103 HA ASP 103 9.017 -6.880 3.139 288 HB2 ASP 103 2HB ASP 103 10.273 -8.955 2.827 289 HB3 ASP 103 1HB ASP 103 10.794 -8.397 1.235 290 H VAL 104 H VAL 104 9.163 -6.758 -0.339 291 HA VAL 104 HA VAL 104 10.684 -4.337 -0.452 292 HB VAL 104 HB VAL 104 9.144 -5.921 -2.503 293 HG11 VAL 104 1HG1 VAL 104 10.376 -3.188 -2.992 294 HG12 VAL 104 2HG1 VAL 104 8.652 -3.588 -3.050 295 HG13 VAL 104 3HG1 VAL 104 9.755 -4.273 -4.245 296 HG21 VAL 104 1HG2 VAL 104 12.007 -4.999 -2.332 297 HG22 VAL 104 2HG2 VAL 104 11.339 -6.036 -3.590 298 HG23 VAL 104 3HG2 VAL 104 11.410 -6.604 -1.919 299 H ILE 105 H ILE 105 7.273 -5.133 -0.526 300 HA ILE 105 HA ILE 105 6.224 -2.545 -0.907 301 HB ILE 105 HB ILE 105 5.082 -4.848 0.712 302 HG12 ILE 105 2HG1 ILE 105 4.625 -4.034 -2.162 303 HG13 ILE 105 1HG1 ILE 105 5.596 -5.390 -1.634 304 HG21 ILE 105 1HG2 ILE 105 2.883 -3.784 0.352 305 HG22 ILE 105 2HG2 ILE 105 3.680 -2.401 -0.394 306 HG23 ILE 105 3HG2 ILE 105 3.964 -2.770 1.306 307 HD11 ILE 105 1HD1 ILE 105 2.616 -5.076 -1.238 308 HD12 ILE 105 2HD1 ILE 105 3.577 -6.448 -0.688 309 HD13 ILE 105 3HD1 ILE 105 3.405 -6.127 -2.413 310 H ASP 106 H ASP 106 7.043 -4.330 1.977 311 HA ASP 106 HA ASP 106 6.450 -2.379 3.925 312 HB2 ASP 106 2HB ASP 106 6.748 -4.609 4.656 313 HB3 ASP 106 1HB ASP 106 8.276 -4.770 3.806 314 H ALA 107 H ALA 107 9.331 -3.065 2.078 315 HA ALA 107 HA ALA 107 11.041 -1.183 3.285 316 HB1 ALA 107 1HB ALA 107 12.434 -1.466 1.295 317 HB2 ALA 107 2HB ALA 107 11.065 -2.236 0.473 318 HB3 ALA 107 3HB ALA 107 11.804 -3.025 1.856 319 H TYR 108 H TYR 108 8.935 -1.005 0.477 320 HA TYR 108 HA TYR 108 9.441 1.584 -0.398 321 HB2 TYR 108 2HB TYR 108 8.189 0.049 -1.736 322 HB3 TYR 108 1HB TYR 108 6.986 -0.167 -0.481 323 HD1 TYR 108 1HD TYR 108 5.051 1.179 -0.449 324 HD2 TYR 108 2HD TYR 108 8.327 2.279 -2.918 325 HE1 TYR 108 1HE TYR 108 3.642 2.862 -1.547 326 HE2 TYR 108 2HE TYR 108 6.937 3.958 -4.025 327 HH TYR 108 HH TYR 108 3.677 4.671 -2.883 328 H HIS 109 H HIS 109 7.151 0.382 1.967 329 HA HIS 109 HA HIS 109 6.089 2.922 2.534 330 HB2 HIS 109 2HB HIS 109 5.798 0.239 3.782 331 HB3 HIS 109 1HB HIS 109 5.112 1.629 4.601 332 HD1 HIS 109 1HD HIS 109 3.106 2.833 3.347 333 HD2 HIS 109 2HD HIS 109 4.553 -0.568 1.480 334 HE1 HIS 109 1HE HIS 109 1.447 2.251 1.550 335 H ALA 110 H ALA 110 8.559 0.975 4.087 336 HA ALA 110 HA ALA 110 8.892 2.715 6.312 337 HB1 ALA 110 1HB ALA 110 9.573 0.365 6.368 338 HB2 ALA 110 2HB ALA 110 10.921 1.436 6.756 339 HB3 ALA 110 3HB ALA 110 10.814 0.697 5.163 340 H ALA 111 H ALA 111 10.333 2.548 3.129 341 HA ALA 111 HA ALA 111 12.503 4.280 3.660 342 HB1 ALA 111 1HB ALA 111 12.863 4.307 1.281 343 HB2 ALA 111 2HB ALA 111 11.260 3.626 1.003 344 HB3 ALA 111 3HB ALA 111 12.498 2.665 1.812 345 H ASP 112 H ASP 112 12.370 6.269 4.114 346 HA ASP 112 HA ASP 112 10.314 7.937 2.877 347 HB2 ASP 112 2HB ASP 112 10.166 8.053 5.278 348 HB3 ASP 112 1HB ASP 112 11.898 8.339 5.420 Start of MODEL 2 1 H MET 65 1HT MET 65 11.111 10.438 8.407 2 HA MET 65 HA MET 65 8.793 11.097 8.699 3 HB2 MET 65 2HB MET 65 10.033 12.250 6.184 4 HB3 MET 65 1HB MET 65 8.722 12.992 7.079 5 HG2 MET 65 2HG MET 65 10.214 13.327 8.982 6 HG3 MET 65 1HG MET 65 11.507 12.515 8.103 7 HE1 MET 65 1HE MET 65 8.851 15.069 6.608 8 HE2 MET 65 2HE MET 65 9.719 16.586 6.823 9 HE3 MET 65 3HE MET 65 9.171 15.680 8.232 10 H SER 66 H SER 66 6.801 11.678 7.394 11 HA SER 66 HA SER 66 5.041 11.138 6.232 12 HB2 SER 66 2HB SER 66 5.365 10.556 3.750 13 HB3 SER 66 1HB SER 66 6.038 12.074 4.324 14 HG SER 66 HG SER 66 7.881 10.148 4.596 15 H GLY 67 H GLY 67 7.114 8.385 5.238 16 HA2 GLY 67 2HA GLY 67 4.791 6.674 5.211 17 HA3 GLY 67 1HA GLY 67 6.440 6.223 4.804 18 H SER 68 H SER 68 5.373 4.354 6.090 19 HA SER 68 HA SER 68 6.586 4.261 8.670 20 HB2 SER 68 2HB SER 68 3.564 3.981 8.427 21 HB3 SER 68 1HB SER 68 4.503 3.627 9.876 22 HG SER 68 HG SER 68 5.141 6.053 9.033 23 H GLY 69 H GLY 69 6.844 2.042 9.308 24 HA2 GLY 69 2HA GLY 69 6.750 0.266 7.023 25 HA3 GLY 69 1HA GLY 69 7.545 -0.029 8.564 26 H ARG 70 H ARG 70 6.127 -1.999 7.344 27 HA ARG 70 HA ARG 70 3.544 -2.181 8.744 28 HB2 ARG 70 2HB ARG 70 4.762 -3.772 6.470 29 HB3 ARG 70 1HB ARG 70 3.247 -4.185 7.246 30 HG2 ARG 70 2HG ARG 70 3.610 -1.488 5.997 31 HG3 ARG 70 1HG ARG 70 3.244 -2.884 4.993 32 HD2 ARG 70 2HD ARG 70 1.188 -1.732 5.544 33 HD3 ARG 70 1HD ARG 70 1.214 -3.294 6.350 34 HE ARG 70 HE ARG 70 2.059 -0.924 7.806 35 HH11 ARG 70 1HH1 ARG 70 -0.484 -3.362 7.252 36 HH12 ARG 70 2HH1 ARG 70 -1.270 -3.081 8.726 37 HH21 ARG 70 1HH2 ARG 70 0.921 -0.547 9.839 38 HH22 ARG 70 2HH2 ARG 70 -0.435 -1.460 10.255 39 H GLY 71 H GLY 71 6.538 -3.945 8.000 40 HA2 GLY 71 2HA GLY 71 7.911 -4.999 9.494 41 HA3 GLY 71 1HA GLY 71 6.631 -4.957 10.707 42 H ARG 72 H ARG 72 4.699 -6.227 10.065 43 HA ARG 72 HA ARG 72 5.461 -8.653 8.715 44 HB2 ARG 72 2HB ARG 72 4.343 -8.467 11.518 45 HB3 ARG 72 1HB ARG 72 4.296 -9.952 10.586 46 HG2 ARG 72 2HG ARG 72 6.876 -8.521 11.179 47 HG3 ARG 72 1HG ARG 72 6.166 -9.683 12.298 48 HD2 ARG 72 2HD ARG 72 6.815 -10.289 9.419 49 HD3 ARG 72 1HD ARG 72 7.892 -10.645 10.772 50 HE ARG 72 HE ARG 72 5.500 -11.777 11.435 51 HH11 ARG 72 1HH1 ARG 72 7.759 -12.194 8.733 52 HH12 ARG 72 2HH1 ARG 72 7.398 -13.824 8.471 53 HH21 ARG 72 1HH2 ARG 72 5.003 -14.059 11.089 54 HH22 ARG 72 2HH2 ARG 72 5.751 -14.912 9.844 55 H GLY 73 H GLY 73 3.387 -10.032 8.397 56 HA2 GLY 73 2HA GLY 73 1.016 -10.103 8.410 57 HA3 GLY 73 1HA GLY 73 1.017 -8.342 8.358 58 H ALA 74 H ALA 74 -0.345 -8.365 6.573 59 HA ALA 74 HA ALA 74 0.929 -9.178 4.079 60 HB1 ALA 74 1HB ALA 74 -1.348 -9.527 3.199 61 HB2 ALA 74 2HB ALA 74 -2.005 -9.165 4.797 62 HB3 ALA 74 3HB ALA 74 -1.007 -10.600 4.559 63 H ILE 75 H ILE 75 0.741 -7.639 2.418 64 HA ILE 75 HA ILE 75 -0.313 -5.076 3.295 65 HB ILE 75 HB ILE 75 2.165 -5.381 1.594 66 HG12 ILE 75 2HG1 ILE 75 2.154 -4.829 4.572 67 HG13 ILE 75 1HG1 ILE 75 2.439 -6.432 3.906 68 HG21 ILE 75 1HG2 ILE 75 2.510 -3.045 2.319 69 HG22 ILE 75 2HG2 ILE 75 1.017 -3.153 3.263 70 HG23 ILE 75 3HG2 ILE 75 0.957 -3.283 1.503 71 HD11 ILE 75 1HD1 ILE 75 4.414 -5.602 2.748 72 HD12 ILE 75 2HD1 ILE 75 4.521 -5.314 4.487 73 HD13 ILE 75 3HD1 ILE 75 4.127 -3.987 3.391 74 H ASP 76 H ASP 76 -1.768 -4.383 1.761 75 HA ASP 76 HA ASP 76 -1.269 -4.868 -1.058 76 HB2 ASP 76 2HB ASP 76 -2.642 -6.801 -0.450 77 HB3 ASP 76 1HB ASP 76 -3.830 -5.743 0.306 78 H ARG 77 H ARG 77 -1.874 -3.146 -2.269 79 HA ARG 77 HA ARG 77 -4.013 -1.453 -1.657 80 HB2 ARG 77 2HB ARG 77 -2.401 -0.640 0.109 81 HB3 ARG 77 1HB ARG 77 -1.239 -0.344 -1.175 82 HG2 ARG 77 2HG ARG 77 -2.347 1.695 -0.262 83 HG3 ARG 77 1HG ARG 77 -2.468 1.492 -2.003 84 HD2 ARG 77 2HD ARG 77 -4.554 2.298 -0.966 85 HD3 ARG 77 1HD ARG 77 -4.779 0.778 -1.800 86 HE ARG 77 HE ARG 77 -4.269 0.193 0.858 87 HH11 ARG 77 1HH1 ARG 77 -6.741 1.978 -0.993 88 HH12 ARG 77 2HH1 ARG 77 -8.003 1.570 0.061 89 HH21 ARG 77 1HH2 ARG 77 -6.041 -0.366 2.283 90 HH22 ARG 77 2HH2 ARG 77 -7.605 0.206 1.957 91 H GLU 78 H GLU 78 -4.171 0.199 -3.241 92 HA GLU 78 HA GLU 78 -3.754 -0.334 -5.830 93 HB2 GLU 78 2HB GLU 78 -5.222 1.318 -4.704 94 HB3 GLU 78 1HB GLU 78 -3.810 2.324 -4.497 95 HG2 GLU 78 2HG GLU 78 -3.601 2.691 -6.821 96 HG3 GLU 78 1HG GLU 78 -4.782 1.433 -7.195 97 H GLN 79 H GLN 79 -1.571 1.457 -3.640 98 HA GLN 79 HA GLN 79 0.375 1.893 -5.679 99 HB2 GLN 79 2HB GLN 79 0.745 1.908 -2.661 100 HB3 GLN 79 1HB GLN 79 1.989 2.351 -3.811 101 HG2 GLN 79 2HG GLN 79 1.169 4.377 -3.002 102 HG3 GLN 79 1HG GLN 79 0.395 4.185 -4.571 103 HE21 GLN 79 1HE2 GLN 79 -0.027 4.111 -1.145 104 HE22 GLN 79 2HE2 GLN 79 -1.745 4.237 -1.149 105 H SER 80 H SER 80 0.702 0.018 -6.642 106 HA SER 80 HA SER 80 2.332 -1.867 -5.178 107 HB2 SER 80 2HB SER 80 0.978 -3.616 -6.764 108 HB3 SER 80 1HB SER 80 0.521 -3.254 -5.096 109 HG SER 80 HG SER 80 -1.120 -2.172 -5.737 110 H ALA 81 H ALA 81 1.213 -0.809 -8.405 111 HA ALA 81 HA ALA 81 3.513 -1.815 -9.729 112 HB1 ALA 81 1HB ALA 81 2.801 -0.350 -11.589 113 HB2 ALA 81 2HB ALA 81 1.634 0.433 -10.526 114 HB3 ALA 81 3HB ALA 81 1.436 -1.267 -10.952 115 H ALA 82 H ALA 82 2.632 1.096 -8.093 116 HA ALA 82 HA ALA 82 4.756 2.796 -8.684 117 HB1 ALA 82 1HB ALA 82 2.730 3.493 -7.500 118 HB2 ALA 82 2HB ALA 82 4.181 3.915 -6.585 119 HB3 ALA 82 3HB ALA 82 3.213 2.524 -6.107 120 H ILE 83 H ILE 83 4.427 0.212 -6.340 121 HA ILE 83 HA ILE 83 6.837 0.617 -4.914 122 HB ILE 83 HB ILE 83 5.372 -1.995 -5.401 123 HG12 ILE 83 2HG1 ILE 83 5.043 0.049 -3.196 124 HG13 ILE 83 1HG1 ILE 83 3.881 -0.294 -4.469 125 HG21 ILE 83 1HG2 ILE 83 7.299 -1.196 -3.210 126 HG22 ILE 83 2HG2 ILE 83 7.633 -2.319 -4.531 127 HG23 ILE 83 3HG2 ILE 83 6.437 -2.734 -3.309 128 HD11 ILE 83 1HD1 ILE 83 4.760 -2.153 -2.303 129 HD12 ILE 83 2HD1 ILE 83 3.597 -2.555 -3.570 130 HD13 ILE 83 3HD1 ILE 83 3.217 -1.306 -2.378 131 H ARG 84 H ARG 84 5.951 -1.235 -7.732 132 HA ARG 84 HA ARG 84 8.405 -2.547 -8.131 133 HB2 ARG 84 2HB ARG 84 6.268 -1.817 -10.144 134 HB3 ARG 84 1HB ARG 84 7.577 -2.952 -10.445 135 HG2 ARG 84 2HG ARG 84 6.732 -4.410 -8.672 136 HG3 ARG 84 1HG ARG 84 5.445 -3.259 -8.341 137 HD2 ARG 84 2HD ARG 84 4.588 -5.084 -9.663 138 HD3 ARG 84 1HD ARG 84 4.571 -3.603 -10.614 139 HE ARG 84 HE ARG 84 6.877 -4.667 -11.384 140 HH11 ARG 84 1HH1 ARG 84 3.738 -6.336 -10.917 141 HH12 ARG 84 2HH1 ARG 84 3.934 -7.308 -12.282 142 HH21 ARG 84 1HH2 ARG 84 7.092 -6.112 -13.245 143 HH22 ARG 84 2HH2 ARG 84 5.842 -7.209 -13.589 144 H GLU 85 H GLU 85 7.139 0.494 -9.299 145 HA GLU 85 HA GLU 85 9.316 1.228 -10.958 146 HB2 GLU 85 2HB GLU 85 7.455 3.027 -9.417 147 HB3 GLU 85 1HB GLU 85 8.497 3.529 -10.735 148 HG2 GLU 85 2HG GLU 85 7.228 1.992 -12.219 149 HG3 GLU 85 1HG GLU 85 6.121 1.706 -10.871 150 H TRP 86 H TRP 86 8.546 1.966 -7.609 151 HA TRP 86 HA TRP 86 10.770 3.521 -6.938 152 HB2 TRP 86 2HB TRP 86 8.811 3.391 -5.531 153 HB3 TRP 86 1HB TRP 86 9.035 1.668 -5.300 154 HD1 TRP 86 HD TRP 86 10.341 5.042 -4.096 155 HE1 TRP 86 1HE TRP 86 11.674 4.676 -1.928 156 HE3 TRP 86 3HE TRP 86 10.396 -0.037 -4.070 157 HZ2 TRP 86 2HZ TRP 86 12.624 2.477 -0.402 158 HZ3 TRP 86 3HZ TRP 86 11.531 -1.204 -2.253 159 HH2 TRP 86 HH TRP 86 12.620 0.027 -0.440 160 H ALA 87 H ALA 87 10.244 0.046 -6.770 161 HA ALA 87 HA ALA 87 12.698 -0.717 -5.688 162 HB1 ALA 87 1HB ALA 87 10.787 -2.215 -5.792 163 HB2 ALA 87 2HB ALA 87 12.144 -2.959 -6.654 164 HB3 ALA 87 3HB ALA 87 10.832 -2.183 -7.545 165 H ARG 88 H ARG 88 11.660 -0.295 -9.025 166 HA ARG 88 HA ARG 88 14.105 -1.082 -10.210 167 HB2 ARG 88 2HB ARG 88 11.790 0.545 -11.243 168 HB3 ARG 88 1HB ARG 88 13.175 0.119 -12.241 169 HG2 ARG 88 2HG ARG 88 11.480 -1.915 -10.821 170 HG3 ARG 88 1HG ARG 88 11.168 -1.376 -12.471 171 HD2 ARG 88 2HD ARG 88 13.795 -2.554 -11.549 172 HD3 ARG 88 1HD ARG 88 12.507 -3.491 -12.298 173 HE ARG 88 HE ARG 88 12.729 -1.759 -14.134 174 HH11 ARG 88 1HH1 ARG 88 15.533 -2.974 -12.279 175 HH12 ARG 88 2HH1 ARG 88 16.608 -2.813 -13.577 176 HH21 ARG 88 1HH2 ARG 88 14.258 -1.563 -15.877 177 HH22 ARG 88 2HH2 ARG 88 15.885 -2.013 -15.647 178 H ARG 89 H ARG 89 12.880 2.048 -9.171 179 HA ARG 89 HA ARG 89 14.987 3.607 -10.205 180 HB2 ARG 89 2HB ARG 89 13.188 4.054 -7.837 181 HB3 ARG 89 1HB ARG 89 14.392 5.227 -8.346 182 HG2 ARG 89 2HG ARG 89 13.303 5.390 -10.520 183 HG3 ARG 89 1HG ARG 89 12.098 4.217 -9.994 184 HD2 ARG 89 2HD ARG 89 11.318 5.694 -8.272 185 HD3 ARG 89 1HD ARG 89 12.624 6.830 -8.600 186 HE ARG 89 HE ARG 89 11.634 7.381 -10.644 187 HH11 ARG 89 1HH1 ARG 89 9.570 5.395 -8.592 188 HH12 ARG 89 2HH1 ARG 89 8.119 5.829 -9.372 189 HH21 ARG 89 1HH2 ARG 89 9.695 7.997 -11.693 190 HH22 ARG 89 2HH2 ARG 89 8.179 7.360 -11.223 191 H ASN 90 H ASN 90 14.583 2.069 -7.061 192 HA ASN 90 HA ASN 90 17.118 2.946 -6.103 193 HB2 ASN 90 2HB ASN 90 15.180 0.889 -5.158 194 HB3 ASN 90 1HB ASN 90 16.738 1.007 -4.385 195 HD21 ASN 90 1HD2 ASN 90 13.622 2.296 -4.706 196 HD22 ASN 90 2HD2 ASN 90 13.776 3.567 -3.562 197 H GLY 91 H GLY 91 16.004 0.195 -7.847 198 HA2 GLY 91 2HA GLY 91 17.409 -1.087 -9.215 199 HA3 GLY 91 1HA GLY 91 18.777 -0.636 -8.207 200 H HIS 92 H HIS 92 15.952 -1.479 -6.514 201 HA HIS 92 HA HIS 92 17.155 -3.827 -5.323 202 HB2 HIS 92 2HB HIS 92 14.219 -3.072 -5.269 203 HB3 HIS 92 1HB HIS 92 15.028 -4.179 -4.196 204 HD1 HIS 92 1HD HIS 92 17.145 -2.609 -2.836 205 HD2 HIS 92 2HD HIS 92 13.545 -0.913 -3.984 206 HE1 HIS 92 1HE HIS 92 16.774 -0.592 -1.372 207 H ASN 93 H ASN 93 14.851 -2.957 -7.692 208 HA ASN 93 HA ASN 93 13.688 -3.947 -9.290 209 HB2 ASN 93 2HB ASN 93 15.541 -6.310 -8.840 210 HB3 ASN 93 1HB ASN 93 14.361 -6.221 -10.148 211 HD21 ASN 93 1HD2 ASN 93 17.284 -6.391 -10.211 212 HD22 ASN 93 2HD2 ASN 93 17.824 -5.036 -11.120 213 H VAL 94 H VAL 94 12.351 -6.183 -9.615 214 HA VAL 94 HA VAL 94 11.076 -6.372 -7.001 215 HB VAL 94 HB VAL 94 9.736 -6.608 -9.705 216 HG11 VAL 94 1HG1 VAL 94 8.545 -6.312 -6.959 217 HG12 VAL 94 2HG1 VAL 94 8.558 -7.785 -7.931 218 HG13 VAL 94 3HG1 VAL 94 7.647 -6.375 -8.477 219 HG21 VAL 94 1HG2 VAL 94 9.785 -4.278 -7.818 220 HG22 VAL 94 2HG2 VAL 94 8.815 -4.394 -9.290 221 HG23 VAL 94 3HG2 VAL 94 10.573 -4.369 -9.393 222 H SER 95 H SER 95 10.328 -8.297 -9.824 223 HA SER 95 HA SER 95 11.959 -10.507 -9.424 224 HB2 SER 95 2HB SER 95 9.087 -10.828 -8.409 225 HB3 SER 95 1HB SER 95 10.175 -12.170 -8.749 226 HG SER 95 HG SER 95 11.012 -10.185 -7.008 227 H THR 96 H THR 96 12.162 -10.785 -11.560 228 HA THR 96 HA THR 96 10.212 -9.972 -13.373 229 HB THR 96 HB THR 96 11.780 -11.347 -14.983 230 HG1 THR 96 1HG THR 96 13.235 -12.361 -13.822 231 HG21 THR 96 1HG2 THR 96 12.667 -8.854 -13.516 232 HG22 THR 96 2HG2 THR 96 11.590 -8.901 -14.910 233 HG23 THR 96 3HG2 THR 96 13.272 -9.397 -15.080 234 H ARG 97 H ARG 97 8.444 -10.911 -12.844 235 HA ARG 97 HA ARG 97 7.508 -13.334 -14.043 236 HB2 ARG 97 2HB ARG 97 7.621 -13.198 -10.991 237 HB3 ARG 97 1HB ARG 97 6.633 -14.327 -11.885 238 HG2 ARG 97 2HG ARG 97 9.640 -14.251 -11.884 239 HG3 ARG 97 1HG ARG 97 8.634 -15.337 -10.925 240 HD2 ARG 97 2HD ARG 97 7.709 -16.294 -12.953 241 HD3 ARG 97 1HD ARG 97 8.681 -15.203 -13.941 242 HE ARG 97 HE ARG 97 10.529 -16.454 -12.463 243 HH11 ARG 97 1HH1 ARG 97 7.845 -17.659 -14.387 244 HH12 ARG 97 2HH1 ARG 97 8.574 -19.134 -14.791 245 HH21 ARG 97 1HH2 ARG 97 11.593 -18.504 -13.038 246 HH22 ARG 97 2HH2 ARG 97 10.760 -19.614 -14.017 247 H GLY 98 H GLY 98 7.294 -10.725 -11.730 248 HA2 GLY 98 2HA GLY 98 5.566 -9.047 -11.916 249 HA3 GLY 98 1HA GLY 98 4.450 -10.335 -12.380 250 H ARG 99 H ARG 99 6.832 -10.736 -9.910 251 HA ARG 99 HA ARG 99 4.701 -11.132 -7.923 252 HB2 ARG 99 2HB ARG 99 6.286 -13.011 -8.763 253 HB3 ARG 99 1HB ARG 99 7.540 -12.169 -7.892 254 HG2 ARG 99 2HG ARG 99 5.052 -13.322 -6.656 255 HG3 ARG 99 1HG ARG 99 6.612 -14.115 -6.720 256 HD2 ARG 99 2HD ARG 99 7.531 -12.219 -5.373 257 HD3 ARG 99 1HD ARG 99 5.877 -11.617 -5.209 258 HE ARG 99 HE ARG 99 6.368 -14.366 -4.462 259 HH11 ARG 99 1HH1 ARG 99 5.689 -11.048 -3.333 260 HH12 ARG 99 2HH1 ARG 99 5.454 -11.515 -1.733 261 HH21 ARG 99 1HH2 ARG 99 6.084 -14.960 -2.201 262 HH22 ARG 99 2HH2 ARG 99 5.716 -13.767 -1.051 263 H ILE 100 H ILE 100 4.717 -9.549 -6.348 264 HA ILE 100 HA ILE 100 7.085 -7.849 -6.200 265 HB ILE 100 HB ILE 100 4.355 -7.345 -4.975 266 HG12 ILE 100 2HG1 ILE 100 5.464 -6.281 -7.592 267 HG13 ILE 100 1HG1 ILE 100 4.227 -7.525 -7.458 268 HG21 ILE 100 1HG2 ILE 100 6.698 -5.511 -5.551 269 HG22 ILE 100 2HG2 ILE 100 6.219 -6.124 -3.970 270 HG23 ILE 100 3HG2 ILE 100 5.153 -5.020 -4.846 271 HD11 ILE 100 1HD1 ILE 100 3.228 -5.378 -7.964 272 HD12 ILE 100 2HD1 ILE 100 4.000 -4.669 -6.548 273 HD13 ILE 100 3HD1 ILE 100 2.756 -5.900 -6.344 274 HA PRO 101 HA PRO 101 7.934 -10.000 -2.242 275 HB2 PRO 101 2HB PRO 101 10.016 -7.948 -2.016 276 HB3 PRO 101 1HB PRO 101 10.203 -9.708 -2.085 277 HG2 PRO 101 2HG PRO 101 10.998 -8.176 -4.094 278 HG3 PRO 101 1HG PRO 101 10.271 -9.775 -4.369 279 HD2 PRO 101 2HD PRO 101 9.028 -7.080 -4.668 280 HD3 PRO 101 1HD PRO 101 8.887 -8.530 -5.687 281 H ALA 102 H ALA 102 6.716 -9.603 -0.539 282 HA ALA 102 HA ALA 102 5.682 -7.103 0.199 283 HB1 ALA 102 1HB ALA 102 5.071 -8.157 2.325 284 HB2 ALA 102 2HB ALA 102 6.112 -9.529 1.950 285 HB3 ALA 102 3HB ALA 102 4.680 -9.214 0.972 286 H ASP 103 H ASP 103 8.596 -8.718 0.932 287 HA ASP 103 HA ASP 103 9.662 -7.189 3.016 288 HB2 ASP 103 2HB ASP 103 10.673 -9.263 2.128 289 HB3 ASP 103 1HB ASP 103 11.052 -8.426 0.631 290 H VAL 104 H VAL 104 9.738 -6.734 -0.483 291 HA VAL 104 HA VAL 104 11.169 -4.256 -0.368 292 HB VAL 104 HB VAL 104 9.778 -5.758 -2.602 293 HG11 VAL 104 1HG1 VAL 104 9.280 -3.407 -3.011 294 HG12 VAL 104 2HG1 VAL 104 10.451 -4.015 -4.190 295 HG13 VAL 104 3HG1 VAL 104 10.995 -3.002 -2.847 296 HG21 VAL 104 1HG2 VAL 104 12.613 -4.810 -2.195 297 HG22 VAL 104 2HG2 VAL 104 12.034 -5.773 -3.552 298 HG23 VAL 104 3HG2 VAL 104 12.024 -6.450 -1.919 299 H ILE 105 H ILE 105 7.842 -5.194 -0.479 300 HA ILE 105 HA ILE 105 6.707 -2.650 -0.868 301 HB ILE 105 HB ILE 105 5.573 -5.065 0.563 302 HG12 ILE 105 2HG1 ILE 105 5.283 -4.109 -2.288 303 HG13 ILE 105 1HG1 ILE 105 6.218 -5.480 -1.762 304 HG21 ILE 105 1HG2 ILE 105 3.371 -4.067 0.133 305 HG22 ILE 105 2HG2 ILE 105 4.156 -2.610 -0.481 306 HG23 ILE 105 3HG2 ILE 105 4.360 -3.079 1.203 307 HD11 ILE 105 1HD1 ILE 105 3.220 -5.213 -1.533 308 HD12 ILE 105 2HD1 ILE 105 4.163 -6.616 -1.035 309 HD13 ILE 105 3HD1 ILE 105 4.086 -6.163 -2.737 310 H ASP 106 H ASP 106 7.528 -4.419 2.091 311 HA ASP 106 HA ASP 106 6.638 -2.443 3.929 312 HB2 ASP 106 2HB ASP 106 7.066 -4.722 4.682 313 HB3 ASP 106 1HB ASP 106 8.750 -4.606 4.192 314 H ALA 107 H ALA 107 9.732 -3.060 2.386 315 HA ALA 107 HA ALA 107 11.181 -0.944 3.518 316 HB1 ALA 107 1HB ALA 107 12.617 -1.128 1.522 317 HB2 ALA 107 2HB ALA 107 11.379 -2.131 0.754 318 HB3 ALA 107 3HB ALA 107 12.206 -2.703 2.201 319 H TYR 108 H TYR 108 9.211 -1.054 0.592 320 HA TYR 108 HA TYR 108 9.458 1.556 -0.302 321 HB2 TYR 108 2HB TYR 108 8.427 -0.103 -1.675 322 HB3 TYR 108 1HB TYR 108 7.186 -0.415 -0.476 323 HD1 TYR 108 1HD TYR 108 5.170 0.859 -0.451 324 HD2 TYR 108 2HD TYR 108 8.365 2.008 -2.994 325 HE1 TYR 108 1HE TYR 108 3.665 2.389 -1.631 326 HE2 TYR 108 2HE TYR 108 6.875 3.545 -4.184 327 HH TYR 108 HH TYR 108 3.798 4.333 -2.952 328 H HIS 109 H HIS 109 6.960 0.217 1.811 329 HA HIS 109 HA HIS 109 5.633 2.650 2.247 330 HB2 HIS 109 2HB HIS 109 5.593 0.010 3.640 331 HB3 HIS 109 1HB HIS 109 4.723 1.339 4.364 332 HD1 HIS 109 1HD HIS 109 2.360 1.773 3.393 333 HD2 HIS 109 2HD HIS 109 4.685 -0.704 1.000 334 HE1 HIS 109 1HE HIS 109 0.843 0.902 1.596 335 H ALA 110 H ALA 110 8.327 1.191 3.949 336 HA ALA 110 HA ALA 110 8.182 3.225 6.000 337 HB1 ALA 110 1HB ALA 110 10.251 1.087 5.602 338 HB2 ALA 110 2HB ALA 110 8.798 0.934 6.590 339 HB3 ALA 110 3HB ALA 110 10.049 2.098 7.033 340 H ALA 111 H ALA 111 9.680 2.959 2.943 341 HA ALA 111 HA ALA 111 11.949 4.571 3.642 342 HB1 ALA 111 1HB ALA 111 12.624 4.401 1.369 343 HB2 ALA 111 2HB ALA 111 11.025 3.830 0.899 344 HB3 ALA 111 3HB ALA 111 12.049 2.819 1.910 345 H ASP 112 H ASP 112 12.287 6.612 3.381 346 HA ASP 112 HA ASP 112 10.668 8.152 1.596 347 HB2 ASP 112 2HB ASP 112 10.268 9.948 3.183 348 HB3 ASP 112 1HB ASP 112 9.628 8.465 3.857 Start of MODEL 3 1 H MET 65 1HT MET 65 4.750 9.592 15.494 2 HA MET 65 HA MET 65 4.975 8.878 13.217 3 HB2 MET 65 2HB MET 65 7.459 9.532 14.768 4 HB3 MET 65 1HB MET 65 7.490 9.377 13.020 5 HG2 MET 65 2HG MET 65 7.308 11.693 13.640 6 HG3 MET 65 1HG MET 65 5.826 11.173 12.853 7 HE1 MET 65 1HE MET 65 6.090 13.865 14.462 8 HE2 MET 65 2HE MET 65 4.605 13.872 15.406 9 HE3 MET 65 3HE MET 65 4.573 13.352 13.720 10 H SER 66 H SER 66 7.374 7.053 15.207 11 HA SER 66 HA SER 66 7.533 5.199 13.016 12 HB2 SER 66 2HB SER 66 9.353 4.189 14.520 13 HB3 SER 66 1HB SER 66 9.667 5.780 13.827 14 HG SER 66 HG SER 66 9.568 6.657 15.712 15 H GLY 67 H GLY 67 6.283 3.507 12.894 16 HA2 GLY 67 2HA GLY 67 5.945 1.463 14.497 17 HA3 GLY 67 1HA GLY 67 4.830 2.623 15.225 18 H SER 68 H SER 68 3.289 0.921 14.638 19 HA SER 68 HA SER 68 1.485 0.261 13.523 20 HB2 SER 68 2HB SER 68 2.151 2.428 11.516 21 HB3 SER 68 1HB SER 68 0.603 1.587 11.649 22 HG SER 68 HG SER 68 1.225 2.492 14.036 23 H GLY 69 H GLY 69 3.853 1.020 10.981 24 HA2 GLY 69 2HA GLY 69 4.834 -0.362 9.422 25 HA3 GLY 69 1HA GLY 69 4.166 -1.738 10.300 26 H ARG 70 H ARG 70 3.107 -2.887 8.850 27 HA ARG 70 HA ARG 70 0.953 -1.601 7.452 28 HB2 ARG 70 2HB ARG 70 1.649 -3.142 5.382 29 HB3 ARG 70 1HB ARG 70 2.290 -1.522 5.573 30 HG2 ARG 70 2HG ARG 70 4.078 -2.980 4.933 31 HG3 ARG 70 1HG ARG 70 4.325 -2.506 6.604 32 HD2 ARG 70 2HD ARG 70 3.218 -4.689 7.243 33 HD3 ARG 70 1HD ARG 70 3.349 -5.141 5.542 34 HE ARG 70 HE ARG 70 5.798 -4.217 6.690 35 HH11 ARG 70 1HH1 ARG 70 3.799 -7.054 6.023 36 HH12 ARG 70 2HH1 ARG 70 5.004 -8.196 6.397 37 HH21 ARG 70 1HH2 ARG 70 7.462 -5.775 7.266 38 HH22 ARG 70 2HH2 ARG 70 7.167 -7.433 7.117 39 H GLY 71 H GLY 71 -0.715 -3.109 6.699 40 HA2 GLY 71 2HA GLY 71 -0.971 -5.136 8.763 41 HA3 GLY 71 1HA GLY 71 -2.268 -4.480 7.769 42 H ARG 72 H ARG 72 -0.596 -4.831 5.343 43 HA ARG 72 HA ARG 72 -1.059 -7.690 5.164 44 HB2 ARG 72 2HB ARG 72 -1.136 -5.635 2.960 45 HB3 ARG 72 1HB ARG 72 -1.299 -7.362 2.703 46 HG2 ARG 72 2HG ARG 72 -3.174 -5.606 4.284 47 HG3 ARG 72 1HG ARG 72 -3.469 -6.276 2.680 48 HD2 ARG 72 2HD ARG 72 -3.335 -8.551 3.636 49 HD3 ARG 72 1HD ARG 72 -3.100 -7.847 5.235 50 HE ARG 72 HE ARG 72 -5.447 -6.960 3.842 51 HH11 ARG 72 1HH1 ARG 72 -4.155 -9.316 6.174 52 HH12 ARG 72 2HH1 ARG 72 -5.669 -9.697 6.836 53 HH21 ARG 72 1HH2 ARG 72 -7.525 -7.509 4.748 54 HH22 ARG 72 2HH2 ARG 72 -7.628 -8.648 6.022 55 H GLY 73 H GLY 73 0.406 -8.999 4.005 56 HA2 GLY 73 2HA GLY 73 3.123 -7.970 4.017 57 HA3 GLY 73 1HA GLY 73 2.647 -9.660 3.881 58 H ALA 74 H ALA 74 0.590 -8.502 1.858 59 HA ALA 74 HA ALA 74 2.355 -7.918 -0.368 60 HB1 ALA 74 1HB ALA 74 1.961 -10.331 -0.459 61 HB2 ALA 74 2HB ALA 74 1.128 -9.497 -1.781 62 HB3 ALA 74 3HB ALA 74 0.220 -10.042 -0.368 63 H ILE 75 H ILE 75 1.548 -6.153 -1.355 64 HA ILE 75 HA ILE 75 -1.260 -5.569 -0.875 65 HB ILE 75 HB ILE 75 1.076 -3.659 -0.994 66 HG12 ILE 75 2HG1 ILE 75 -0.794 -4.292 1.290 67 HG13 ILE 75 1HG1 ILE 75 0.769 -5.068 1.081 68 HG21 ILE 75 1HG2 ILE 75 -0.568 -1.902 -0.452 69 HG22 ILE 75 2HG2 ILE 75 -1.866 -3.095 -0.572 70 HG23 ILE 75 3HG2 ILE 75 -0.923 -2.673 -2.001 71 HD11 ILE 75 1HD1 ILE 75 0.295 -2.129 1.511 72 HD12 ILE 75 2HD1 ILE 75 1.859 -2.931 1.311 73 HD13 ILE 75 3HD1 ILE 75 0.851 -3.307 2.711 74 H ASP 76 H ASP 76 -2.420 -5.180 -2.508 75 HA ASP 76 HA ASP 76 -1.631 -3.991 -4.948 76 HB2 ASP 76 2HB ASP 76 -0.790 -6.225 -5.485 77 HB3 ASP 76 1HB ASP 76 -2.316 -6.948 -4.981 78 H ARG 77 H ARG 77 -3.199 -2.653 -4.908 79 HA ARG 77 HA ARG 77 -5.913 -3.339 -5.238 80 HB2 ARG 77 2HB ARG 77 -5.846 -3.886 -2.860 81 HB3 ARG 77 1HB ARG 77 -5.086 -2.354 -2.484 82 HG2 ARG 77 2HG ARG 77 -7.406 -2.255 -1.840 83 HG3 ARG 77 1HG ARG 77 -7.167 -1.202 -3.231 84 HD2 ARG 77 2HD ARG 77 -8.014 -2.968 -4.693 85 HD3 ARG 77 1HD ARG 77 -8.284 -3.995 -3.288 86 HE ARG 77 HE ARG 77 -9.610 -1.546 -2.929 87 HH11 ARG 77 1HH1 ARG 77 -9.862 -4.516 -4.813 88 HH12 ARG 77 2HH1 ARG 77 -11.539 -4.396 -5.068 89 HH21 ARG 77 1HH2 ARG 77 -11.894 -1.383 -3.250 90 HH22 ARG 77 2HH2 ARG 77 -12.744 -2.568 -4.143 91 H GLU 78 H GLU 78 -4.193 -0.799 -3.450 92 HA GLU 78 HA GLU 78 -5.334 1.204 -5.212 93 HB2 GLU 78 2HB GLU 78 -5.352 1.516 -2.769 94 HB3 GLU 78 1HB GLU 78 -3.599 1.471 -2.763 95 HG2 GLU 78 2HG GLU 78 -3.533 3.494 -4.108 96 HG3 GLU 78 1HG GLU 78 -5.297 3.532 -4.133 97 H GLN 79 H GLN 79 -2.136 0.128 -4.061 98 HA GLN 79 HA GLN 79 -1.004 1.025 -6.586 99 HB2 GLN 79 2HB GLN 79 0.201 1.570 -3.865 100 HB3 GLN 79 1HB GLN 79 0.986 1.882 -5.405 101 HG2 GLN 79 2HG GLN 79 -0.811 3.503 -5.931 102 HG3 GLN 79 1HG GLN 79 -1.467 3.227 -4.317 103 HE21 GLN 79 1HE2 GLN 79 -0.359 3.974 -2.550 104 HE22 GLN 79 2HE2 GLN 79 0.890 5.150 -2.664 105 H SER 80 H SER 80 0.653 -0.226 -7.263 106 HA SER 80 HA SER 80 1.943 -2.130 -5.577 107 HB2 SER 80 2HB SER 80 1.264 -4.080 -7.111 108 HB3 SER 80 1HB SER 80 0.073 -3.521 -5.940 109 HG SER 80 HG SER 80 -0.865 -3.808 -7.917 110 H ALA 81 H ALA 81 1.279 -1.182 -8.906 111 HA ALA 81 HA ALA 81 3.697 -2.058 -10.010 112 HB1 ALA 81 1HB ALA 81 1.953 0.225 -10.924 113 HB2 ALA 81 2HB ALA 81 1.719 -1.469 -11.344 114 HB3 ALA 81 3HB ALA 81 3.159 -0.615 -11.899 115 H ALA 82 H ALA 82 2.818 0.934 -8.418 116 HA ALA 82 HA ALA 82 5.109 2.457 -8.962 117 HB1 ALA 82 1HB ALA 82 3.368 2.521 -6.494 118 HB2 ALA 82 2HB ALA 82 3.080 3.428 -7.979 119 HB3 ALA 82 3HB ALA 82 4.499 3.776 -6.996 120 H ILE 83 H ILE 83 4.440 -0.011 -6.593 121 HA ILE 83 HA ILE 83 6.744 0.423 -4.988 122 HB ILE 83 HB ILE 83 5.121 -2.130 -5.318 123 HG12 ILE 83 2HG1 ILE 83 4.795 0.116 -3.313 124 HG13 ILE 83 1HG1 ILE 83 3.712 -0.211 -4.658 125 HG21 ILE 83 1HG2 ILE 83 6.941 -1.220 -3.084 126 HG22 ILE 83 2HG2 ILE 83 7.286 -2.502 -4.246 127 HG23 ILE 83 3HG2 ILE 83 5.979 -2.700 -3.082 128 HD11 ILE 83 1HD1 ILE 83 2.777 -1.014 -2.573 129 HD12 ILE 83 2HD1 ILE 83 4.211 -1.996 -2.286 130 HD13 ILE 83 3HD1 ILE 83 3.140 -2.378 -3.633 131 H ARG 84 H ARG 84 5.971 -1.620 -7.738 132 HA ARG 84 HA ARG 84 8.411 -3.032 -7.917 133 HB2 ARG 84 2HB ARG 84 6.407 -2.287 -10.048 134 HB3 ARG 84 1HB ARG 84 7.819 -3.269 -10.374 135 HG2 ARG 84 2HG ARG 84 7.011 -4.964 -8.822 136 HG3 ARG 84 1HG ARG 84 5.599 -3.962 -8.467 137 HD2 ARG 84 2HD ARG 84 4.823 -4.131 -10.713 138 HD3 ARG 84 1HD ARG 84 6.319 -4.908 -11.229 139 HE ARG 84 HE ARG 84 5.622 -6.780 -9.725 140 HH11 ARG 84 1HH1 ARG 84 3.176 -4.690 -11.267 141 HH12 ARG 84 2HH1 ARG 84 1.974 -5.891 -11.279 142 HH21 ARG 84 1HH2 ARG 84 3.951 -8.472 -9.891 143 HH22 ARG 84 2HH2 ARG 84 2.433 -8.049 -10.539 144 H GLU 85 H GLU 85 7.349 0.002 -9.323 145 HA GLU 85 HA GLU 85 9.703 0.476 -10.811 146 HB2 GLU 85 2HB GLU 85 7.586 2.387 -9.845 147 HB3 GLU 85 1HB GLU 85 8.888 2.825 -10.944 148 HG2 GLU 85 2HG GLU 85 6.732 0.792 -11.449 149 HG3 GLU 85 1HG GLU 85 6.862 2.394 -12.177 150 H TRP 86 H TRP 86 8.652 1.572 -7.631 151 HA TRP 86 HA TRP 86 10.891 3.117 -6.997 152 HB2 TRP 86 2HB TRP 86 8.882 3.241 -5.660 153 HB3 TRP 86 1HB TRP 86 8.974 1.531 -5.277 154 HD1 TRP 86 HD TRP 86 10.433 4.916 -4.253 155 HE1 TRP 86 1HE TRP 86 11.699 4.614 -2.031 156 HE3 TRP 86 3HE TRP 86 10.231 -0.154 -3.906 157 HZ2 TRP 86 2HZ TRP 86 12.505 2.467 -0.350 158 HZ3 TRP 86 3HZ TRP 86 11.272 -1.262 -1.983 159 HH2 TRP 86 HH TRP 86 12.382 0.028 -0.241 160 H ALA 87 H ALA 87 10.246 -0.307 -6.679 161 HA ALA 87 HA ALA 87 12.575 -1.058 -5.357 162 HB1 ALA 87 1HB ALA 87 10.644 -2.511 -5.599 163 HB2 ALA 87 2HB ALA 87 12.104 -3.305 -6.212 164 HB3 ALA 87 3HB ALA 87 10.930 -2.615 -7.333 165 H ARG 88 H ARG 88 11.850 -0.702 -8.786 166 HA ARG 88 HA ARG 88 14.387 -1.563 -9.763 167 HB2 ARG 88 2HB ARG 88 12.362 0.298 -11.023 168 HB3 ARG 88 1HB ARG 88 13.755 -0.378 -11.855 169 HG2 ARG 88 2HG ARG 88 12.869 -2.621 -11.542 170 HG3 ARG 88 1HG ARG 88 11.487 -1.955 -10.670 171 HD2 ARG 88 2HD ARG 88 10.934 -2.470 -12.992 172 HD3 ARG 88 1HD ARG 88 10.803 -0.745 -12.668 173 HE ARG 88 HE ARG 88 13.010 -0.519 -13.727 174 HH11 ARG 88 1HH1 ARG 88 11.111 -3.416 -14.498 175 HH12 ARG 88 2HH1 ARG 88 11.797 -3.589 -16.046 176 HH21 ARG 88 1HH2 ARG 88 13.927 -0.782 -15.836 177 HH22 ARG 88 2HH2 ARG 88 13.386 -2.051 -16.835 178 H ARG 89 H ARG 89 13.083 1.504 -8.842 179 HA ARG 89 HA ARG 89 15.136 3.253 -9.501 180 HB2 ARG 89 2HB ARG 89 13.090 4.160 -8.832 181 HB3 ARG 89 1HB ARG 89 13.013 3.150 -7.404 182 HG2 ARG 89 2HG ARG 89 14.812 4.509 -6.405 183 HG3 ARG 89 1HG ARG 89 14.753 5.569 -7.821 184 HD2 ARG 89 2HD ARG 89 12.521 6.217 -7.354 185 HD3 ARG 89 1HD ARG 89 12.322 4.930 -6.174 186 HE ARG 89 HE ARG 89 14.407 6.597 -5.373 187 HH11 ARG 89 1HH1 ARG 89 10.890 6.734 -5.768 188 HH12 ARG 89 2HH1 ARG 89 10.618 7.770 -4.457 189 HH21 ARG 89 1HH2 ARG 89 14.027 8.008 -3.486 190 HH22 ARG 89 2HH2 ARG 89 12.430 8.479 -3.115 191 H ASN 90 H ASN 90 14.650 1.326 -6.589 192 HA ASN 90 HA ASN 90 17.128 2.193 -5.428 193 HB2 ASN 90 2HB ASN 90 15.068 0.206 -4.579 194 HB3 ASN 90 1HB ASN 90 16.625 0.251 -3.768 195 HD21 ASN 90 1HD2 ASN 90 13.657 1.942 -4.368 196 HD22 ASN 90 2HD2 ASN 90 13.895 3.130 -3.140 197 H GLY 91 H GLY 91 16.091 -0.610 -7.203 198 HA2 GLY 91 2HA GLY 91 17.876 -1.579 -8.588 199 HA3 GLY 91 1HA GLY 91 18.910 -1.470 -7.172 200 H HIS 92 H HIS 92 15.860 -2.358 -6.206 201 HA HIS 92 HA HIS 92 16.662 -5.075 -5.656 202 HB2 HIS 92 2HB HIS 92 13.775 -4.177 -5.584 203 HB3 HIS 92 1HB HIS 92 14.568 -5.369 -4.579 204 HD1 HIS 92 1HD HIS 92 16.788 -3.645 -3.216 205 HD2 HIS 92 2HD HIS 92 12.890 -2.372 -3.878 206 HE1 HIS 92 1HE HIS 92 16.387 -1.699 -1.666 207 H ASN 93 H ASN 93 14.591 -3.357 -7.817 208 HA ASN 93 HA ASN 93 13.614 -3.729 -9.791 209 HB2 ASN 93 2HB ASN 93 15.764 -5.818 -10.056 210 HB3 ASN 93 1HB ASN 93 14.685 -5.364 -11.366 211 HD21 ASN 93 1HD2 ASN 93 17.612 -5.110 -11.011 212 HD22 ASN 93 2HD2 ASN 93 17.937 -3.437 -11.318 213 H VAL 94 H VAL 94 11.614 -4.323 -9.042 214 HA VAL 94 HA VAL 94 11.135 -7.194 -9.066 215 HB VAL 94 HB VAL 94 9.166 -5.001 -8.326 216 HG11 VAL 94 1HG1 VAL 94 7.823 -6.827 -7.389 217 HG12 VAL 94 2HG1 VAL 94 9.020 -7.996 -7.939 218 HG13 VAL 94 3HG1 VAL 94 8.097 -7.062 -9.116 219 HG21 VAL 94 1HG2 VAL 94 9.517 -5.683 -5.996 220 HG22 VAL 94 2HG2 VAL 94 11.006 -5.086 -6.727 221 HG23 VAL 94 3HG2 VAL 94 10.760 -6.821 -6.520 222 H SER 95 H SER 95 11.516 -7.369 -11.198 223 HA SER 95 HA SER 95 9.203 -6.901 -12.869 224 HB2 SER 95 2HB SER 95 11.997 -5.982 -13.628 225 HB3 SER 95 1HB SER 95 10.595 -5.980 -14.704 226 HG SER 95 HG SER 95 9.952 -4.815 -12.432 227 H THR 96 H THR 96 10.376 -9.113 -11.494 228 HA THR 96 HA THR 96 11.768 -10.726 -13.417 229 HB THR 96 HB THR 96 11.556 -12.292 -11.380 230 HG1 THR 96 1HG THR 96 10.949 -11.237 -9.481 231 HG21 THR 96 1HG2 THR 96 13.621 -11.055 -11.935 232 HG22 THR 96 2HG2 THR 96 13.365 -11.092 -10.189 233 HG23 THR 96 3HG2 THR 96 12.985 -9.635 -11.108 234 H ARG 97 H ARG 97 8.871 -9.725 -13.511 235 HA ARG 97 HA ARG 97 6.789 -10.311 -13.942 236 HB2 ARG 97 2HB ARG 97 7.972 -12.867 -15.069 237 HB3 ARG 97 1HB ARG 97 6.358 -12.266 -15.378 238 HG2 ARG 97 2HG ARG 97 7.468 -11.659 -17.316 239 HG3 ARG 97 1HG ARG 97 7.620 -10.190 -16.359 240 HD2 ARG 97 2HD ARG 97 9.740 -10.746 -17.417 241 HD3 ARG 97 1HD ARG 97 9.875 -10.903 -15.662 242 HE ARG 97 HE ARG 97 9.126 -13.373 -16.734 243 HH11 ARG 97 1HH1 ARG 97 12.025 -11.293 -16.752 244 HH12 ARG 97 2HH1 ARG 97 13.096 -12.596 -16.892 245 HH21 ARG 97 1HH2 ARG 97 10.595 -15.105 -16.907 246 HH22 ARG 97 2HH2 ARG 97 12.282 -14.833 -16.959 247 H GLY 98 H GLY 98 6.419 -10.331 -11.683 248 HA2 GLY 98 2HA GLY 98 4.993 -12.617 -10.942 249 HA3 GLY 98 1HA GLY 98 6.575 -12.668 -10.190 250 H ARG 99 H ARG 99 5.925 -12.425 -8.158 251 HA ARG 99 HA ARG 99 4.091 -10.312 -7.401 252 HB2 ARG 99 2HB ARG 99 3.904 -12.645 -6.515 253 HB3 ARG 99 1HB ARG 99 5.446 -12.425 -5.712 254 HG2 ARG 99 2HG ARG 99 4.501 -10.700 -4.297 255 HG3 ARG 99 1HG ARG 99 2.963 -10.805 -5.158 256 HD2 ARG 99 2HD ARG 99 4.265 -13.002 -3.560 257 HD3 ARG 99 1HD ARG 99 2.867 -12.041 -3.065 258 HE ARG 99 HE ARG 99 2.279 -13.169 -5.524 259 HH11 ARG 99 1HH1 ARG 99 2.855 -14.268 -2.211 260 HH12 ARG 99 2HH1 ARG 99 1.891 -15.654 -2.353 261 HH21 ARG 99 1HH2 ARG 99 1.013 -15.085 -5.743 262 HH22 ARG 99 2HH2 ARG 99 0.836 -16.154 -4.437 263 H ILE 100 H ILE 100 4.685 -9.062 -5.399 264 HA ILE 100 HA ILE 100 7.372 -7.958 -5.695 265 HB ILE 100 HB ILE 100 4.988 -6.903 -4.170 266 HG12 ILE 100 2HG1 ILE 100 6.009 -5.990 -6.874 267 HG13 ILE 100 1HG1 ILE 100 4.598 -7.019 -6.645 268 HG21 ILE 100 1HG2 ILE 100 7.133 -6.146 -3.357 269 HG22 ILE 100 2HG2 ILE 100 6.254 -4.805 -4.107 270 HG23 ILE 100 3HG2 ILE 100 7.589 -5.587 -4.969 271 HD11 ILE 100 1HD1 ILE 100 3.509 -5.233 -5.397 272 HD12 ILE 100 2HD1 ILE 100 3.974 -4.702 -7.013 273 HD13 ILE 100 3HD1 ILE 100 4.934 -4.219 -5.615 274 HA PRO 101 HA PRO 101 8.518 -10.056 -1.784 275 HB2 PRO 101 2HB PRO 101 10.421 -7.786 -1.878 276 HB3 PRO 101 1HB PRO 101 10.747 -9.510 -1.596 277 HG2 PRO 101 2HG PRO 101 11.386 -8.467 -3.895 278 HG3 PRO 101 1HG PRO 101 10.609 -10.061 -3.832 279 HD2 PRO 101 2HD PRO 101 9.431 -7.428 -4.573 280 HD3 PRO 101 1HD PRO 101 9.140 -9.041 -5.268 281 H ALA 102 H ALA 102 7.614 -9.820 -0.025 282 HA ALA 102 HA ALA 102 6.140 -7.726 1.001 283 HB1 ALA 102 1HB ALA 102 6.353 -8.805 3.187 284 HB2 ALA 102 2HB ALA 102 7.715 -9.753 2.590 285 HB3 ALA 102 3HB ALA 102 6.108 -10.005 1.916 286 H ASP 103 H ASP 103 9.517 -8.475 1.472 287 HA ASP 103 HA ASP 103 10.323 -6.434 3.175 288 HB2 ASP 103 2HB ASP 103 11.894 -8.129 2.682 289 HB3 ASP 103 1HB ASP 103 11.718 -7.885 0.947 290 H VAL 104 H VAL 104 10.036 -6.442 -0.358 291 HA VAL 104 HA VAL 104 11.065 -3.813 -0.672 292 HB VAL 104 HB VAL 104 9.426 -5.579 -2.504 293 HG11 VAL 104 1HG1 VAL 104 10.570 -2.842 -3.136 294 HG12 VAL 104 2HG1 VAL 104 8.858 -3.265 -3.012 295 HG13 VAL 104 3HG1 VAL 104 9.838 -3.958 -4.299 296 HG21 VAL 104 1HG2 VAL 104 11.497 -5.689 -3.780 297 HG22 VAL 104 2HG2 VAL 104 11.751 -6.213 -2.109 298 HG23 VAL 104 3HG2 VAL 104 12.271 -4.610 -2.622 299 H ILE 105 H ILE 105 7.858 -5.112 -0.338 300 HA ILE 105 HA ILE 105 6.412 -2.734 -0.759 301 HB ILE 105 HB ILE 105 5.674 -5.153 0.916 302 HG12 ILE 105 2HG1 ILE 105 4.998 -4.454 -1.942 303 HG13 ILE 105 1HG1 ILE 105 6.231 -5.601 -1.458 304 HG21 ILE 105 1HG2 ILE 105 3.928 -2.970 -0.233 305 HG22 ILE 105 2HG2 ILE 105 4.279 -3.219 1.475 306 HG23 ILE 105 3HG2 ILE 105 3.353 -4.425 0.579 307 HD11 ILE 105 1HD1 ILE 105 4.524 -7.019 -0.446 308 HD12 ILE 105 2HD1 ILE 105 4.160 -6.710 -2.146 309 HD13 ILE 105 3HD1 ILE 105 3.286 -5.843 -0.881 310 H ASP 106 H ASP 106 7.588 -4.258 2.226 311 HA ASP 106 HA ASP 106 6.531 -2.278 3.976 312 HB2 ASP 106 2HB ASP 106 7.183 -4.507 4.784 313 HB3 ASP 106 1HB ASP 106 8.864 -4.156 4.404 314 H ALA 107 H ALA 107 9.637 -2.702 2.414 315 HA ALA 107 HA ALA 107 10.909 -0.494 3.578 316 HB1 ALA 107 1HB ALA 107 12.538 -0.731 1.775 317 HB2 ALA 107 2HB ALA 107 11.406 -1.779 0.904 318 HB3 ALA 107 3HB ALA 107 12.087 -2.307 2.438 319 H TYR 108 H TYR 108 8.936 -0.837 0.669 320 HA TYR 108 HA TYR 108 9.206 1.754 -0.356 321 HB2 TYR 108 2HB TYR 108 8.141 0.000 -1.645 322 HB3 TYR 108 1HB TYR 108 6.864 -0.175 -0.459 323 HD1 TYR 108 1HD TYR 108 4.947 1.313 -0.493 324 HD2 TYR 108 2HD TYR 108 8.212 1.964 -3.127 325 HE1 TYR 108 1HE TYR 108 3.591 2.916 -1.760 326 HE2 TYR 108 2HE TYR 108 6.878 3.565 -4.405 327 HH TYR 108 HH TYR 108 4.508 4.123 -4.829 328 H HIS 109 H HIS 109 7.018 0.414 2.011 329 HA HIS 109 HA HIS 109 5.653 2.872 2.481 330 HB2 HIS 109 2HB HIS 109 5.632 0.205 3.835 331 HB3 HIS 109 1HB HIS 109 4.766 1.549 4.554 332 HD1 HIS 109 1HD HIS 109 2.518 2.198 3.433 333 HD2 HIS 109 2HD HIS 109 4.625 -0.711 1.358 334 HE1 HIS 109 1HE HIS 109 0.937 1.276 1.698 335 H ALA 110 H ALA 110 8.498 1.450 3.744 336 HA ALA 110 HA ALA 110 8.544 3.101 6.114 337 HB1 ALA 110 1HB ALA 110 10.675 2.021 6.587 338 HB2 ALA 110 2HB ALA 110 10.650 1.273 4.987 339 HB3 ALA 110 3HB ALA 110 9.435 0.833 6.184 340 H ALA 111 H ALA 111 10.124 3.045 2.972 341 HA ALA 111 HA ALA 111 11.949 5.141 3.640 342 HB1 ALA 111 1HB ALA 111 12.479 3.421 1.963 343 HB2 ALA 111 2HB ALA 111 12.622 5.059 1.329 344 HB3 ALA 111 3HB ALA 111 11.215 4.075 0.919 345 H ASP 112 H ASP 112 11.727 7.244 3.401 346 HA ASP 112 HA ASP 112 9.426 8.247 1.900 347 HB2 ASP 112 2HB ASP 112 8.896 8.585 4.235 348 HB3 ASP 112 1HB ASP 112 10.488 9.274 4.544 Start of MODEL 4 1 H MET 65 1HT MET 65 -4.113 -16.577 -7.111 2 HA MET 65 HA MET 65 -3.081 -14.234 -8.588 3 HB2 MET 65 2HB MET 65 -3.819 -16.150 -10.013 4 HB3 MET 65 1HB MET 65 -5.375 -16.117 -9.195 5 HG2 MET 65 2HG MET 65 -5.729 -13.830 -10.050 6 HG3 MET 65 1HG MET 65 -4.215 -13.956 -10.941 7 HE1 MET 65 1HE MET 65 -3.788 -15.789 -12.857 8 HE2 MET 65 2HE MET 65 -5.033 -16.901 -13.426 9 HE3 MET 65 3HE MET 65 -4.357 -17.093 -11.812 10 H SER 66 H SER 66 -4.385 -12.359 -8.364 11 HA SER 66 HA SER 66 -5.989 -12.352 -6.042 12 HB2 SER 66 2HB SER 66 -5.398 -10.178 -8.055 13 HB3 SER 66 1HB SER 66 -6.244 -9.934 -6.527 14 HG SER 66 HG SER 66 -4.427 -10.782 -5.480 15 H GLY 67 H GLY 67 -7.615 -13.596 -6.339 16 HA2 GLY 67 2HA GLY 67 -9.990 -12.522 -7.498 17 HA3 GLY 67 1HA GLY 67 -9.425 -13.980 -8.332 18 H SER 68 H SER 68 -8.458 -15.573 -6.641 19 HA SER 68 HA SER 68 -10.497 -16.106 -4.653 20 HB2 SER 68 2HB SER 68 -8.054 -17.709 -5.479 21 HB3 SER 68 1HB SER 68 -9.455 -18.295 -4.575 22 HG SER 68 HG SER 68 -10.475 -17.288 -6.696 23 H GLY 69 H GLY 69 -10.063 -15.588 -2.534 24 HA2 GLY 69 2HA GLY 69 -8.834 -14.906 -0.676 25 HA3 GLY 69 1HA GLY 69 -7.347 -15.209 -1.583 26 H ARG 70 H ARG 70 -10.087 -13.296 -2.444 27 HA ARG 70 HA ARG 70 -8.435 -11.131 -3.365 28 HB2 ARG 70 2HB ARG 70 -10.564 -10.128 -4.110 29 HB3 ARG 70 1HB ARG 70 -10.344 -11.777 -4.682 30 HG2 ARG 70 2HG ARG 70 -11.783 -12.530 -2.775 31 HG3 ARG 70 1HG ARG 70 -12.113 -10.835 -2.452 32 HD2 ARG 70 2HD ARG 70 -13.098 -10.549 -4.613 33 HD3 ARG 70 1HD ARG 70 -12.632 -12.184 -5.084 34 HE ARG 70 HE ARG 70 -14.170 -12.373 -2.787 35 HH11 ARG 70 1HH1 ARG 70 -14.567 -11.348 -6.125 36 HH12 ARG 70 2HH1 ARG 70 -16.190 -11.803 -6.258 37 HH21 ARG 70 1HH2 ARG 70 -16.412 -13.042 -2.927 38 HH22 ARG 70 2HH2 ARG 70 -17.274 -12.806 -4.370 39 H GLY 71 H GLY 71 -8.542 -8.999 -2.686 40 HA2 GLY 71 2HA GLY 71 -9.642 -7.447 -1.095 41 HA3 GLY 71 1HA GLY 71 -9.361 -8.709 0.105 42 H ARG 72 H ARG 72 -8.336 -5.923 -0.307 43 HA ARG 72 HA ARG 72 -5.457 -6.551 -0.128 44 HB2 ARG 72 2HB ARG 72 -6.831 -3.981 -0.943 45 HB3 ARG 72 1HB ARG 72 -5.102 -4.158 -0.715 46 HG2 ARG 72 2HG ARG 72 -6.723 -5.657 -2.760 47 HG3 ARG 72 1HG ARG 72 -5.807 -4.183 -3.078 48 HD2 ARG 72 2HD ARG 72 -4.702 -6.833 -2.161 49 HD3 ARG 72 1HD ARG 72 -4.524 -6.125 -3.764 50 HE ARG 72 HE ARG 72 -3.225 -5.218 -1.295 51 HH11 ARG 72 1HH1 ARG 72 -3.546 -4.878 -4.822 52 HH12 ARG 72 2HH1 ARG 72 -2.069 -4.059 -4.985 53 HH21 ARG 72 1HH2 ARG 72 -1.180 -4.070 -1.591 54 HH22 ARG 72 2HH2 ARG 72 -0.732 -3.638 -3.185 55 H GLY 73 H GLY 73 -8.059 -6.067 1.686 56 HA2 GLY 73 2HA GLY 73 -8.107 -5.617 3.982 57 HA3 GLY 73 1HA GLY 73 -6.623 -4.662 3.812 58 H ALA 74 H ALA 74 -6.899 -2.887 2.143 59 HA ALA 74 HA ALA 74 -9.521 -1.594 2.194 60 HB1 ALA 74 1HB ALA 74 -8.060 -0.422 3.816 61 HB2 ALA 74 2HB ALA 74 -8.331 0.575 2.386 62 HB3 ALA 74 3HB ALA 74 -6.803 -0.286 2.587 63 H ILE 75 H ILE 75 -9.928 -0.519 0.255 64 HA ILE 75 HA ILE 75 -8.706 -1.820 -1.945 65 HB ILE 75 HB ILE 75 -10.604 0.503 -1.926 66 HG12 ILE 75 2HG1 ILE 75 -11.205 -2.425 -2.349 67 HG13 ILE 75 1HG1 ILE 75 -11.365 -1.628 -0.794 68 HG21 ILE 75 1HG2 ILE 75 -9.875 -1.426 -4.143 69 HG22 ILE 75 2HG2 ILE 75 -9.427 0.276 -4.069 70 HG23 ILE 75 3HG2 ILE 75 -11.123 -0.181 -4.247 71 HD11 ILE 75 1HD1 ILE 75 -13.488 -1.862 -1.913 72 HD12 ILE 75 2HD1 ILE 75 -12.885 -0.939 -3.300 73 HD13 ILE 75 3HD1 ILE 75 -13.049 -0.170 -1.713 74 H ASP 76 H ASP 76 -6.981 -1.353 -2.821 75 HA ASP 76 HA ASP 76 -5.957 1.363 -3.131 76 HB2 ASP 76 2HB ASP 76 -4.912 0.589 -1.069 77 HB3 ASP 76 1HB ASP 76 -4.443 -0.919 -1.839 78 H ARG 77 H ARG 77 -4.817 1.621 -5.000 79 HA ARG 77 HA ARG 77 -4.273 -0.740 -6.621 80 HB2 ARG 77 2HB ARG 77 -5.292 0.318 -8.607 81 HB3 ARG 77 1HB ARG 77 -6.469 -0.069 -7.359 82 HG2 ARG 77 2HG ARG 77 -6.687 2.199 -6.731 83 HG3 ARG 77 1HG ARG 77 -5.276 2.665 -7.678 84 HD2 ARG 77 2HD ARG 77 -7.406 3.308 -8.755 85 HD3 ARG 77 1HD ARG 77 -6.460 2.205 -9.741 86 HE ARG 77 HE ARG 77 -8.123 0.562 -8.411 87 HH11 ARG 77 1HH1 ARG 77 -8.766 3.493 -10.334 88 HH12 ARG 77 2HH1 ARG 77 -10.285 2.950 -10.885 89 HH21 ARG 77 1HH2 ARG 77 -10.218 -0.165 -9.232 90 HH22 ARG 77 2HH2 ARG 77 -11.112 0.854 -10.262 91 H GLU 78 H GLU 78 -2.856 -0.317 -8.395 92 HA GLU 78 HA GLU 78 -1.290 0.630 -9.670 93 HB2 GLU 78 2HB GLU 78 -2.777 2.532 -9.846 94 HB3 GLU 78 1HB GLU 78 -2.113 3.213 -8.374 95 HG2 GLU 78 2HG GLU 78 0.049 3.476 -9.480 96 HG3 GLU 78 1HG GLU 78 -0.632 2.801 -10.961 97 H GLN 79 H GLN 79 -1.116 1.532 -6.278 98 HA GLN 79 HA GLN 79 1.575 2.366 -6.385 99 HB2 GLN 79 2HB GLN 79 0.071 1.425 -3.951 100 HB3 GLN 79 1HB GLN 79 1.560 2.358 -3.957 101 HG2 GLN 79 2HG GLN 79 0.245 4.121 -5.242 102 HG3 GLN 79 1HG GLN 79 -1.192 3.224 -4.761 103 HE21 GLN 79 1HE2 GLN 79 -1.720 3.123 -2.501 104 HE22 GLN 79 2HE2 GLN 79 -1.042 4.295 -1.425 105 H SER 80 H SER 80 0.158 -0.747 -6.103 106 HA SER 80 HA SER 80 2.442 -2.047 -5.042 107 HB2 SER 80 2HB SER 80 0.218 -3.229 -6.728 108 HB3 SER 80 1HB SER 80 1.342 -4.132 -5.708 109 HG SER 80 HG SER 80 -0.070 -2.039 -4.559 110 H ALA 81 H ALA 81 1.444 -1.150 -8.273 111 HA ALA 81 HA ALA 81 3.562 -2.546 -9.596 112 HB1 ALA 81 1HB ALA 81 1.494 -1.937 -10.768 113 HB2 ALA 81 2HB ALA 81 2.899 -1.210 -11.540 114 HB3 ALA 81 3HB ALA 81 1.849 -0.228 -10.513 115 H ALA 82 H ALA 82 2.987 0.630 -8.273 116 HA ALA 82 HA ALA 82 5.338 1.893 -9.146 117 HB1 ALA 82 1HB ALA 82 4.906 3.539 -7.394 118 HB2 ALA 82 2HB ALA 82 3.747 2.450 -6.639 119 HB3 ALA 82 3HB ALA 82 3.410 3.128 -8.234 120 H ILE 83 H ILE 83 4.642 -0.165 -6.417 121 HA ILE 83 HA ILE 83 7.041 0.114 -4.960 122 HB ILE 83 HB ILE 83 5.417 -2.446 -5.291 123 HG12 ILE 83 2HG1 ILE 83 5.310 -0.345 -3.120 124 HG13 ILE 83 1HG1 ILE 83 4.094 -0.595 -4.361 125 HG21 ILE 83 1HG2 ILE 83 7.648 -2.939 -4.454 126 HG22 ILE 83 2HG2 ILE 83 6.448 -3.187 -3.186 127 HG23 ILE 83 3HG2 ILE 83 7.453 -1.738 -3.174 128 HD11 ILE 83 1HD1 ILE 83 3.390 -1.536 -2.244 129 HD12 ILE 83 2HD1 ILE 83 4.840 -2.535 -2.184 130 HD13 ILE 83 3HD1 ILE 83 3.627 -2.823 -3.429 131 H ARG 84 H ARG 84 6.174 -1.955 -7.624 132 HA ARG 84 HA ARG 84 8.586 -3.410 -7.835 133 HB2 ARG 84 2HB ARG 84 6.560 -2.745 -9.981 134 HB3 ARG 84 1HB ARG 84 7.821 -3.966 -10.097 135 HG2 ARG 84 2HG ARG 84 6.804 -5.269 -8.354 136 HG3 ARG 84 1HG ARG 84 5.604 -4.005 -8.061 137 HD2 ARG 84 2HD ARG 84 4.706 -4.322 -10.306 138 HD3 ARG 84 1HD ARG 84 5.938 -5.529 -10.639 139 HE ARG 84 HE ARG 84 4.528 -6.328 -8.383 140 HH11 ARG 84 1HH1 ARG 84 3.930 -5.882 -11.852 141 HH12 ARG 84 2HH1 ARG 84 2.724 -7.081 -11.948 142 HH21 ARG 84 1HH2 ARG 84 2.836 -8.006 -8.510 143 HH22 ARG 84 2HH2 ARG 84 2.105 -8.313 -10.005 144 H GLU 85 H GLU 85 7.447 -0.476 -9.463 145 HA GLU 85 HA GLU 85 9.929 -0.195 -10.819 146 HB2 GLU 85 2HB GLU 85 7.616 1.676 -10.561 147 HB3 GLU 85 1HB GLU 85 9.097 2.172 -11.385 148 HG2 GLU 85 2HG GLU 85 8.767 -0.004 -12.755 149 HG3 GLU 85 1HG GLU 85 7.115 0.056 -12.150 150 H TRP 86 H TRP 86 8.766 1.084 -7.812 151 HA TRP 86 HA TRP 86 10.903 2.836 -7.259 152 HB2 TRP 86 2HB TRP 86 8.908 2.883 -5.894 153 HB3 TRP 86 1HB TRP 86 9.081 1.189 -5.484 154 HD1 TRP 86 HD TRP 86 10.384 4.647 -4.521 155 HE1 TRP 86 1HE TRP 86 11.638 4.461 -2.289 156 HE3 TRP 86 3HE TRP 86 10.398 -0.403 -4.073 157 HZ2 TRP 86 2HZ TRP 86 12.530 2.393 -0.554 158 HZ3 TRP 86 3HZ TRP 86 11.470 -1.427 -2.114 159 HH2 TRP 86 HH TRP 86 12.513 -0.048 -0.392 160 H ALA 87 H ALA 87 10.429 -0.601 -6.736 161 HA ALA 87 HA ALA 87 12.824 -1.233 -5.478 162 HB1 ALA 87 1HB ALA 87 11.190 -2.847 -7.429 163 HB2 ALA 87 2HB ALA 87 10.939 -2.772 -5.691 164 HB3 ALA 87 3HB ALA 87 12.408 -3.512 -6.339 165 H ARG 88 H ARG 88 12.017 -1.194 -8.974 166 HA ARG 88 HA ARG 88 14.608 -1.690 -9.900 167 HB2 ARG 88 2HB ARG 88 12.231 -0.330 -11.089 168 HB3 ARG 88 1HB ARG 88 13.743 -0.479 -11.971 169 HG2 ARG 88 2HG ARG 88 12.123 -2.742 -10.864 170 HG3 ARG 88 1HG ARG 88 12.143 -2.230 -12.549 171 HD2 ARG 88 2HD ARG 88 14.708 -2.560 -12.371 172 HD3 ARG 88 1HD ARG 88 14.341 -3.471 -10.915 173 HE ARG 88 HE ARG 88 12.955 -4.242 -13.320 174 HH11 ARG 88 1HH1 ARG 88 15.495 -5.018 -10.960 175 HH12 ARG 88 2HH1 ARG 88 15.972 -6.439 -11.742 176 HH21 ARG 88 1HH2 ARG 88 13.612 -6.197 -14.376 177 HH22 ARG 88 2HH2 ARG 88 14.847 -7.163 -13.704 178 H ARG 89 H ARG 89 13.063 1.296 -8.961 179 HA ARG 89 HA ARG 89 14.930 3.152 -9.919 180 HB2 ARG 89 2HB ARG 89 12.698 3.731 -9.011 181 HB3 ARG 89 1HB ARG 89 13.240 3.257 -7.414 182 HG2 ARG 89 2HG ARG 89 14.929 5.065 -7.506 183 HG3 ARG 89 1HG ARG 89 14.228 5.586 -9.042 184 HD2 ARG 89 2HD ARG 89 12.750 5.376 -6.423 185 HD3 ARG 89 1HD ARG 89 13.344 6.880 -7.121 186 HE ARG 89 HE ARG 89 11.790 6.013 -9.081 187 HH11 ARG 89 1HH1 ARG 89 11.161 6.107 -5.599 188 HH12 ARG 89 2HH1 ARG 89 9.480 6.333 -5.766 189 HH21 ARG 89 1HH2 ARG 89 9.463 6.323 -9.310 190 HH22 ARG 89 2HH2 ARG 89 8.490 6.438 -7.943 191 H ASN 90 H ASN 90 14.752 1.316 -6.957 192 HA ASN 90 HA ASN 90 17.212 2.357 -5.905 193 HB2 ASN 90 2HB ASN 90 15.350 0.176 -5.032 194 HB3 ASN 90 1HB ASN 90 16.893 0.386 -4.225 195 HD21 ASN 90 1HD2 ASN 90 13.741 1.717 -4.786 196 HD22 ASN 90 2HD2 ASN 90 13.844 2.950 -3.592 197 H GLY 91 H GLY 91 16.238 -0.392 -7.740 198 HA2 GLY 91 2HA GLY 91 17.795 -1.343 -9.308 199 HA3 GLY 91 1HA GLY 91 19.075 -1.057 -8.141 200 H HIS 92 H HIS 92 15.990 -2.377 -7.219 201 HA HIS 92 HA HIS 92 17.289 -4.737 -6.176 202 HB2 HIS 92 2HB HIS 92 14.335 -4.066 -6.258 203 HB3 HIS 92 1HB HIS 92 15.067 -5.366 -5.340 204 HD1 HIS 92 1HD HIS 92 17.437 -3.161 -4.339 205 HD2 HIS 92 2HD HIS 92 13.302 -3.041 -3.872 206 HE1 HIS 92 1HE HIS 92 16.981 -1.635 -2.402 207 H ASN 93 H ASN 93 16.233 -6.889 -6.609 208 HA ASN 93 HA ASN 93 16.136 -7.275 -9.490 209 HB2 ASN 93 2HB ASN 93 16.333 -9.258 -7.216 210 HB3 ASN 93 1HB ASN 93 16.328 -9.700 -8.916 211 HD21 ASN 93 1HD2 ASN 93 18.153 -8.331 -6.325 212 HD22 ASN 93 2HD2 ASN 93 19.658 -8.272 -7.154 213 H VAL 94 H VAL 94 13.911 -6.177 -7.960 214 HA VAL 94 HA VAL 94 11.846 -8.201 -7.985 215 HB VAL 94 HB VAL 94 11.611 -5.204 -7.594 216 HG11 VAL 94 1HG1 VAL 94 9.651 -7.411 -6.959 217 HG12 VAL 94 2HG1 VAL 94 9.495 -6.215 -8.246 218 HG13 VAL 94 3HG1 VAL 94 9.442 -5.706 -6.556 219 HG21 VAL 94 1HG2 VAL 94 13.038 -6.186 -5.889 220 HG22 VAL 94 2HG2 VAL 94 11.803 -7.397 -5.542 221 HG23 VAL 94 3HG2 VAL 94 11.488 -5.699 -5.200 222 H SER 95 H SER 95 10.632 -8.645 -9.712 223 HA SER 95 HA SER 95 11.148 -7.250 -12.135 224 HB2 SER 95 2HB SER 95 10.834 -9.706 -12.081 225 HB3 SER 95 1HB SER 95 9.173 -9.466 -11.542 226 HG SER 95 HG SER 95 9.655 -9.798 -13.863 227 H THR 96 H THR 96 9.597 -6.204 -13.387 228 HA THR 96 HA THR 96 7.822 -4.515 -12.010 229 HB THR 96 HB THR 96 7.328 -3.962 -14.502 230 HG1 THR 96 1HG THR 96 9.052 -4.722 -15.824 231 HG21 THR 96 1HG2 THR 96 10.120 -3.670 -13.348 232 HG22 THR 96 2HG2 THR 96 8.762 -2.596 -13.007 233 HG23 THR 96 3HG2 THR 96 9.434 -2.678 -14.634 234 H ARG 97 H ARG 97 7.640 -7.610 -13.461 235 HA ARG 97 HA ARG 97 4.800 -7.748 -12.934 236 HB2 ARG 97 2HB ARG 97 5.990 -8.509 -15.629 237 HB3 ARG 97 1HB ARG 97 4.352 -8.903 -15.120 238 HG2 ARG 97 2HG ARG 97 3.814 -6.546 -14.952 239 HG3 ARG 97 1HG ARG 97 5.462 -6.122 -15.373 240 HD2 ARG 97 2HD ARG 97 5.149 -7.133 -17.569 241 HD3 ARG 97 1HD ARG 97 3.477 -7.533 -17.143 242 HE ARG 97 HE ARG 97 3.873 -4.839 -16.644 243 HH11 ARG 97 1HH1 ARG 97 3.805 -6.928 -19.503 244 HH12 ARG 97 2HH1 ARG 97 3.187 -5.705 -20.525 245 HH21 ARG 97 1HH2 ARG 97 3.048 -3.185 -18.059 246 HH22 ARG 97 2HH2 ARG 97 2.771 -3.553 -19.696 247 H GLY 98 H GLY 98 5.287 -9.007 -11.202 248 HA2 GLY 98 2HA GLY 98 5.530 -11.744 -11.565 249 HA3 GLY 98 1HA GLY 98 7.121 -11.109 -11.154 250 H ARG 99 H ARG 99 7.386 -11.719 -9.089 251 HA ARG 99 HA ARG 99 5.169 -11.362 -7.213 252 HB2 ARG 99 2HB ARG 99 6.307 -13.574 -7.334 253 HB3 ARG 99 1HB ARG 99 7.805 -12.811 -6.828 254 HG2 ARG 99 2HG ARG 99 6.776 -13.928 -4.951 255 HG3 ARG 99 1HG ARG 99 6.713 -12.178 -4.692 256 HD2 ARG 99 2HD ARG 99 4.397 -12.159 -5.504 257 HD3 ARG 99 1HD ARG 99 4.474 -13.898 -5.756 258 HE ARG 99 HE ARG 99 5.067 -13.072 -3.082 259 HH11 ARG 99 1HH1 ARG 99 2.512 -14.019 -5.342 260 HH12 ARG 99 2HH1 ARG 99 1.381 -14.377 -4.129 261 HH21 ARG 99 1HH2 ARG 99 3.462 -13.525 -1.401 262 HH22 ARG 99 2HH2 ARG 99 1.918 -14.086 -1.867 263 H ILE 100 H ILE 100 5.307 -9.911 -5.502 264 HA ILE 100 HA ILE 100 7.650 -8.161 -5.514 265 HB ILE 100 HB ILE 100 5.009 -7.715 -4.104 266 HG12 ILE 100 2HG1 ILE 100 5.917 -6.529 -6.736 267 HG13 ILE 100 1HG1 ILE 100 4.738 -7.826 -6.597 268 HG21 ILE 100 1HG2 ILE 100 6.908 -6.502 -3.201 269 HG22 ILE 100 2HG2 ILE 100 5.793 -5.383 -3.994 270 HG23 ILE 100 3HG2 ILE 100 7.296 -5.857 -4.796 271 HD11 ILE 100 1HD1 ILE 100 3.251 -6.339 -5.347 272 HD12 ILE 100 2HD1 ILE 100 3.656 -5.660 -6.923 273 HD13 ILE 100 3HD1 ILE 100 4.444 -5.047 -5.469 274 HA PRO 101 HA PRO 101 8.820 -10.218 -1.592 275 HB2 PRO 101 2HB PRO 101 10.709 -7.950 -1.593 276 HB3 PRO 101 1HB PRO 101 11.042 -9.683 -1.455 277 HG2 PRO 101 2HG PRO 101 11.674 -8.425 -3.653 278 HG3 PRO 101 1HG PRO 101 10.964 -10.054 -3.714 279 HD2 PRO 101 2HD PRO 101 9.645 -7.426 -4.242 280 HD3 PRO 101 1HD PRO 101 9.491 -8.975 -5.104 281 H ALA 102 H ALA 102 7.863 -9.982 0.153 282 HA ALA 102 HA ALA 102 6.293 -7.768 0.888 283 HB1 ALA 102 1HB ALA 102 5.888 -10.062 1.697 284 HB2 ALA 102 2HB ALA 102 5.983 -8.905 3.021 285 HB3 ALA 102 3HB ALA 102 7.352 -9.963 2.679 286 H ASP 103 H ASP 103 9.546 -8.687 1.656 287 HA ASP 103 HA ASP 103 10.187 -6.777 3.605 288 HB2 ASP 103 2HB ASP 103 12.484 -6.986 2.488 289 HB3 ASP 103 1HB ASP 103 11.858 -8.430 3.344 290 H VAL 104 H VAL 104 10.211 -6.696 0.124 291 HA VAL 104 HA VAL 104 11.352 -4.096 -0.087 292 HB VAL 104 HB VAL 104 10.065 -6.071 -1.840 293 HG11 VAL 104 1HG1 VAL 104 9.204 -3.880 -2.695 294 HG12 VAL 104 2HG1 VAL 104 10.366 -4.539 -3.843 295 HG13 VAL 104 3HG1 VAL 104 10.850 -3.244 -2.741 296 HG21 VAL 104 1HG2 VAL 104 12.370 -6.353 -1.348 297 HG22 VAL 104 2HG2 VAL 104 12.742 -4.716 -1.889 298 HG23 VAL 104 3HG2 VAL 104 12.217 -5.934 -3.053 299 H ILE 105 H ILE 105 8.111 -5.405 0.002 300 HA ILE 105 HA ILE 105 6.691 -3.033 -0.547 301 HB ILE 105 HB ILE 105 5.859 -5.396 1.169 302 HG12 ILE 105 2HG1 ILE 105 5.329 -4.738 -1.730 303 HG13 ILE 105 1HG1 ILE 105 6.441 -5.957 -1.142 304 HG21 ILE 105 1HG2 ILE 105 4.156 -3.215 -0.050 305 HG22 ILE 105 2HG2 ILE 105 4.470 -3.450 1.673 306 HG23 ILE 105 3HG2 ILE 105 3.548 -4.652 0.769 307 HD11 ILE 105 1HD1 ILE 105 3.450 -5.971 -0.781 308 HD12 ILE 105 2HD1 ILE 105 4.560 -7.217 -0.201 309 HD13 ILE 105 3HD1 ILE 105 4.367 -6.941 -1.933 310 H ASP 106 H ASP 106 7.825 -4.450 2.467 311 HA ASP 106 HA ASP 106 6.846 -2.499 4.245 312 HB2 ASP 106 2HB ASP 106 7.680 -4.560 5.150 313 HB3 ASP 106 1HB ASP 106 9.257 -4.308 4.413 314 H ALA 107 H ALA 107 9.885 -2.807 2.554 315 HA ALA 107 HA ALA 107 11.165 -0.529 3.501 316 HB1 ALA 107 1HB ALA 107 12.248 -2.336 2.235 317 HB2 ALA 107 2HB ALA 107 12.603 -0.748 1.556 318 HB3 ALA 107 3HB ALA 107 11.405 -1.805 0.784 319 H TYR 108 H TYR 108 9.123 -0.969 0.629 320 HA TYR 108 HA TYR 108 9.188 1.659 -0.321 321 HB2 TYR 108 2HB TYR 108 8.354 -0.163 -1.686 322 HB3 TYR 108 1HB TYR 108 7.032 -0.456 -0.573 323 HD1 TYR 108 1HD TYR 108 5.041 0.964 -0.628 324 HD2 TYR 108 2HD TYR 108 8.350 1.764 -3.159 325 HE1 TYR 108 1HE TYR 108 3.651 2.512 -1.941 326 HE2 TYR 108 2HE TYR 108 6.996 3.299 -4.477 327 HH TYR 108 HH TYR 108 3.960 4.399 -3.388 328 H HIS 109 H HIS 109 6.935 0.082 1.885 329 HA HIS 109 HA HIS 109 5.333 2.387 2.243 330 HB2 HIS 109 2HB HIS 109 5.482 -0.247 3.628 331 HB3 HIS 109 1HB HIS 109 4.520 1.041 4.339 332 HD1 HIS 109 1HD HIS 109 2.204 1.344 3.384 333 HD2 HIS 109 2HD HIS 109 4.628 -1.015 0.981 334 HE1 HIS 109 1HE HIS 109 0.709 0.408 1.581 335 H ALA 110 H ALA 110 8.250 1.386 3.746 336 HA ALA 110 HA ALA 110 7.925 3.272 5.908 337 HB1 ALA 110 1HB ALA 110 10.184 2.616 6.558 338 HB2 ALA 110 2HB ALA 110 10.354 1.685 5.070 339 HB3 ALA 110 3HB ALA 110 9.175 1.196 6.287 340 H ALA 111 H ALA 111 9.315 3.126 2.753 341 HA ALA 111 HA ALA 111 10.863 5.525 3.040 342 HB1 ALA 111 1HB ALA 111 10.171 3.951 0.563 343 HB2 ALA 111 2HB ALA 111 11.611 3.728 1.556 344 HB3 ALA 111 3HB ALA 111 11.366 5.241 0.679 345 H ASP 112 H ASP 112 10.527 7.390 1.722 346 HA ASP 112 HA ASP 112 7.766 7.844 0.932 347 HB2 ASP 112 2HB ASP 112 7.972 8.841 3.117 348 HB3 ASP 112 1HB ASP 112 9.479 9.628 2.650 Start of MODEL 5 1 H MET 65 1HT MET 65 -2.023 -9.002 1.105 2 HA MET 65 HA MET 65 -0.612 -8.389 -0.655 3 HB2 MET 65 2HB MET 65 1.058 -10.174 -0.440 4 HB3 MET 65 1HB MET 65 -0.131 -11.367 -0.937 5 HG2 MET 65 2HG MET 65 1.395 -10.851 -2.755 6 HG3 MET 65 1HG MET 65 -0.248 -10.350 -3.150 7 HE1 MET 65 1HE MET 65 1.879 -7.652 -4.987 8 HE2 MET 65 2HE MET 65 0.613 -8.872 -5.141 9 HE3 MET 65 3HE MET 65 2.272 -9.361 -4.805 10 H SER 66 H SER 66 -1.725 -7.865 -2.398 11 HA SER 66 HA SER 66 -3.661 -9.603 -3.568 12 HB2 SER 66 2HB SER 66 -4.894 -8.445 -1.677 13 HB3 SER 66 1HB SER 66 -4.415 -6.900 -2.365 14 HG SER 66 HG SER 66 -6.370 -8.692 -3.165 15 H GLY 67 H GLY 67 -4.509 -8.262 -5.514 16 HA2 GLY 67 2HA GLY 67 -4.206 -6.580 -7.105 17 HA3 GLY 67 1HA GLY 67 -2.758 -6.069 -6.251 18 H SER 68 H SER 68 -3.744 -9.175 -7.608 19 HA SER 68 HA SER 68 -1.288 -9.103 -9.188 20 HB2 SER 68 2HB SER 68 -3.089 -11.452 -8.522 21 HB3 SER 68 1HB SER 68 -1.561 -11.548 -9.400 22 HG SER 68 HG SER 68 -0.461 -11.158 -7.592 23 H GLY 69 H GLY 69 -1.941 -7.815 -10.850 24 HA2 GLY 69 2HA GLY 69 -2.702 -7.749 -13.076 25 HA3 GLY 69 1HA GLY 69 -3.924 -8.951 -12.668 26 H ARG 70 H ARG 70 -3.893 -6.042 -13.771 27 HA ARG 70 HA ARG 70 -5.852 -4.968 -11.887 28 HB2 ARG 70 2HB ARG 70 -4.000 -3.643 -13.809 29 HB3 ARG 70 1HB ARG 70 -5.565 -2.891 -13.558 30 HG2 ARG 70 2HG ARG 70 -3.924 -1.875 -12.109 31 HG3 ARG 70 1HG ARG 70 -5.102 -2.759 -11.148 32 HD2 ARG 70 2HD ARG 70 -3.470 -4.642 -11.027 33 HD3 ARG 70 1HD ARG 70 -2.296 -3.607 -11.842 34 HE ARG 70 HE ARG 70 -3.086 -2.087 -9.751 35 HH11 ARG 70 1HH1 ARG 70 -1.634 -5.259 -10.053 36 HH12 ARG 70 2HH1 ARG 70 -1.158 -5.383 -8.439 37 HH21 ARG 70 1HH2 ARG 70 -2.396 -2.145 -7.580 38 HH22 ARG 70 2HH2 ARG 70 -1.562 -3.503 -6.948 39 H GLY 71 H GLY 71 -7.783 -4.026 -12.679 40 HA2 GLY 71 2HA GLY 71 -8.683 -4.655 -15.326 41 HA3 GLY 71 1HA GLY 71 -9.450 -5.588 -14.031 42 H ARG 72 H ARG 72 -11.208 -4.057 -15.247 43 HA ARG 72 HA ARG 72 -11.099 -1.447 -14.001 44 HB2 ARG 72 2HB ARG 72 -13.210 -2.486 -15.895 45 HB3 ARG 72 1HB ARG 72 -13.066 -0.834 -15.320 46 HG2 ARG 72 2HG ARG 72 -10.708 -0.900 -16.351 47 HG3 ARG 72 1HG ARG 72 -11.293 -2.318 -17.218 48 HD2 ARG 72 2HD ARG 72 -11.596 -0.378 -18.596 49 HD3 ARG 72 1HD ARG 72 -13.183 -0.940 -18.060 50 HE ARG 72 HE ARG 72 -12.620 0.846 -16.189 51 HH11 ARG 72 1HH1 ARG 72 -12.399 1.118 -19.709 52 HH12 ARG 72 2HH1 ARG 72 -12.613 2.801 -19.737 53 HH21 ARG 72 1HH2 ARG 72 -12.897 3.168 -16.227 54 HH22 ARG 72 2HH2 ARG 72 -12.844 3.993 -17.712 55 H GLY 73 H GLY 73 -11.415 -1.601 -12.015 56 HA2 GLY 73 2HA GLY 73 -13.488 -1.540 -10.490 57 HA3 GLY 73 1HA GLY 73 -13.568 -3.252 -10.931 58 H ALA 74 H ALA 74 -10.663 -3.277 -11.252 59 HA ALA 74 HA ALA 74 -9.940 -3.596 -8.463 60 HB1 ALA 74 1HB ALA 74 -7.985 -4.786 -9.334 61 HB2 ALA 74 2HB ALA 74 -8.537 -4.432 -10.983 62 HB3 ALA 74 3HB ALA 74 -9.501 -5.482 -9.933 63 H ILE 75 H ILE 75 -9.895 -1.482 -8.103 64 HA ILE 75 HA ILE 75 -8.281 0.335 -9.624 65 HB ILE 75 HB ILE 75 -9.956 0.729 -7.113 66 HG12 ILE 75 2HG1 ILE 75 -10.681 1.402 -9.951 67 HG13 ILE 75 1HG1 ILE 75 -11.079 -0.147 -9.219 68 HG21 ILE 75 1HG2 ILE 75 -8.283 2.522 -7.455 69 HG22 ILE 75 2HG2 ILE 75 -9.928 3.108 -7.708 70 HG23 ILE 75 3HG2 ILE 75 -8.891 2.759 -9.093 71 HD11 ILE 75 1HD1 ILE 75 -11.981 2.547 -8.249 72 HD12 ILE 75 2HD1 ILE 75 -12.387 0.959 -7.556 73 HD13 ILE 75 3HD1 ILE 75 -12.926 1.374 -9.184 74 H ASP 76 H ASP 76 -6.482 1.438 -8.667 75 HA ASP 76 HA ASP 76 -5.010 -0.338 -7.026 76 HB2 ASP 76 2HB ASP 76 -4.260 2.284 -8.290 77 HB3 ASP 76 1HB ASP 76 -3.165 1.327 -7.286 78 H ARG 77 H ARG 77 -5.842 -0.449 -5.142 79 HA ARG 77 HA ARG 77 -6.164 1.817 -3.376 80 HB2 ARG 77 2HB ARG 77 -7.497 -0.291 -3.153 81 HB3 ARG 77 1HB ARG 77 -6.018 -1.157 -2.784 82 HG2 ARG 77 2HG ARG 77 -5.760 0.213 -0.752 83 HG3 ARG 77 1HG ARG 77 -7.294 1.007 -1.126 84 HD2 ARG 77 2HD ARG 77 -8.417 -1.184 -1.069 85 HD3 ARG 77 1HD ARG 77 -6.890 -1.945 -0.637 86 HE ARG 77 HE ARG 77 -7.755 0.173 1.116 87 HH11 ARG 77 1HH1 ARG 77 -7.842 -3.336 0.522 88 HH12 ARG 77 2HH1 ARG 77 -8.212 -3.727 2.131 89 HH21 ARG 77 1HH2 ARG 77 -8.302 -0.389 3.303 90 HH22 ARG 77 2HH2 ARG 77 -8.478 -2.030 3.751 91 H GLU 78 H GLU 78 -4.072 -0.985 -3.631 92 HA GLU 78 HA GLU 78 -1.896 0.444 -2.314 93 HB2 GLU 78 2HB GLU 78 -2.680 -1.609 -1.211 94 HB3 GLU 78 1HB GLU 78 -2.502 -2.488 -2.712 95 HG2 GLU 78 2HG GLU 78 -0.088 -2.187 -2.600 96 HG3 GLU 78 1HG GLU 78 -0.276 -1.290 -1.087 97 H GLN 79 H GLN 79 -0.372 1.081 -3.736 98 HA GLN 79 HA GLN 79 -0.717 0.250 -6.461 99 HB2 GLN 79 2HB GLN 79 1.044 2.348 -5.289 100 HB3 GLN 79 1HB GLN 79 0.901 2.024 -7.013 101 HG2 GLN 79 2HG GLN 79 -1.547 2.473 -6.829 102 HG3 GLN 79 1HG GLN 79 -1.282 2.973 -5.162 103 HE21 GLN 79 1HE2 GLN 79 -0.231 4.903 -4.774 104 HE22 GLN 79 2HE2 GLN 79 0.025 6.089 -5.988 105 H SER 80 H SER 80 -0.025 -1.800 -6.395 106 HA SER 80 HA SER 80 2.441 -2.773 -5.541 107 HB2 SER 80 2HB SER 80 0.837 -3.849 -7.848 108 HB3 SER 80 1HB SER 80 1.814 -4.747 -6.679 109 HG SER 80 HG SER 80 0.254 -3.909 -5.052 110 H ALA 81 H ALA 81 1.436 -1.323 -8.593 111 HA ALA 81 HA ALA 81 3.674 -2.020 -10.163 112 HB1 ALA 81 1HB ALA 81 2.904 -0.318 -11.717 113 HB2 ALA 81 2HB ALA 81 1.825 0.335 -10.487 114 HB3 ALA 81 3HB ALA 81 1.546 -1.283 -11.136 115 H ALA 82 H ALA 82 2.875 0.840 -8.291 116 HA ALA 82 HA ALA 82 5.141 2.360 -8.935 117 HB1 ALA 82 1HB ALA 82 3.101 3.313 -7.965 118 HB2 ALA 82 2HB ALA 82 4.531 3.740 -7.029 119 HB3 ALA 82 3HB ALA 82 3.440 2.482 -6.448 120 H ILE 83 H ILE 83 4.521 -0.001 -6.432 121 HA ILE 83 HA ILE 83 6.850 0.385 -4.911 122 HB ILE 83 HB ILE 83 5.289 -2.188 -5.348 123 HG12 ILE 83 2HG1 ILE 83 5.101 -0.121 -3.145 124 HG13 ILE 83 1HG1 ILE 83 3.987 -0.250 -4.497 125 HG21 ILE 83 1HG2 ILE 83 7.231 -1.447 -3.145 126 HG22 ILE 83 2HG2 ILE 83 7.525 -2.625 -4.422 127 HG23 ILE 83 3HG2 ILE 83 6.275 -2.930 -3.216 128 HD11 ILE 83 1HD1 ILE 83 3.317 -2.465 -3.706 129 HD12 ILE 83 2HD1 ILE 83 3.038 -1.191 -2.524 130 HD13 ILE 83 3HD1 ILE 83 4.419 -2.285 -2.334 131 H ARG 84 H ARG 84 6.213 -1.688 -7.669 132 HA ARG 84 HA ARG 84 8.746 -2.939 -7.912 133 HB2 ARG 84 2HB ARG 84 6.691 -2.228 -10.000 134 HB3 ARG 84 1HB ARG 84 8.085 -3.251 -10.301 135 HG2 ARG 84 2HG ARG 84 7.236 -4.997 -9.067 136 HG3 ARG 84 1HG ARG 84 6.186 -3.942 -8.120 137 HD2 ARG 84 2HD ARG 84 4.919 -5.307 -9.706 138 HD3 ARG 84 1HD ARG 84 4.741 -3.591 -10.014 139 HE ARG 84 HE ARG 84 6.194 -5.546 -11.631 140 HH11 ARG 84 1HH1 ARG 84 5.320 -2.095 -11.368 141 HH12 ARG 84 2HH1 ARG 84 4.989 -1.915 -13.026 142 HH21 ARG 84 1HH2 ARG 84 5.734 -5.250 -13.905 143 HH22 ARG 84 2HH2 ARG 84 5.301 -3.719 -14.535 144 H GLU 85 H GLU 85 7.409 -0.027 -9.348 145 HA GLU 85 HA GLU 85 9.677 0.597 -10.884 146 HB2 GLU 85 2HB GLU 85 7.319 2.269 -10.032 147 HB3 GLU 85 1HB GLU 85 8.585 2.876 -11.095 148 HG2 GLU 85 2HG GLU 85 8.141 1.156 -12.701 149 HG3 GLU 85 1HG GLU 85 6.970 0.403 -11.629 150 H TRP 86 H TRP 86 8.636 1.770 -7.719 151 HA TRP 86 HA TRP 86 10.802 3.470 -7.197 152 HB2 TRP 86 2HB TRP 86 8.898 3.557 -5.770 153 HB3 TRP 86 1HB TRP 86 8.965 1.833 -5.450 154 HD1 TRP 86 HD TRP 86 10.508 5.159 -4.320 155 HE1 TRP 86 1HE TRP 86 11.746 4.770 -2.096 156 HE3 TRP 86 3HE TRP 86 10.184 0.060 -4.080 157 HZ2 TRP 86 2HZ TRP 86 12.494 2.551 -0.455 158 HZ3 TRP 86 3HZ TRP 86 11.177 -1.100 -2.161 159 HH2 TRP 86 HH TRP 86 12.303 0.130 -0.395 160 H ALA 87 H ALA 87 10.346 0.030 -6.627 161 HA ALA 87 HA ALA 87 12.689 -0.506 -5.230 162 HB1 ALA 87 1HB ALA 87 10.800 -2.032 -5.363 163 HB2 ALA 87 2HB ALA 87 12.281 -2.848 -5.874 164 HB3 ALA 87 3HB ALA 87 11.112 -2.277 -7.073 165 H ARG 88 H ARG 88 12.030 -0.886 -8.668 166 HA ARG 88 HA ARG 88 14.676 -1.654 -9.280 167 HB2 ARG 88 2HB ARG 88 12.431 -0.693 -11.033 168 HB3 ARG 88 1HB ARG 88 13.959 -1.310 -11.656 169 HG2 ARG 88 2HG ARG 88 13.536 -3.458 -10.597 170 HG3 ARG 88 1HG ARG 88 12.044 -2.832 -9.902 171 HD2 ARG 88 2HD ARG 88 11.594 -4.186 -11.872 172 HD3 ARG 88 1HD ARG 88 11.134 -2.508 -12.131 173 HE ARG 88 HE ARG 88 13.314 -2.295 -13.322 174 HH11 ARG 88 1HH1 ARG 88 11.965 -5.526 -13.018 175 HH12 ARG 88 2HH1 ARG 88 12.385 -6.036 -14.585 176 HH21 ARG 88 1HH2 ARG 88 13.912 -2.951 -15.486 177 HH22 ARG 88 2HH2 ARG 88 13.496 -4.508 -16.048 178 H ARG 89 H ARG 89 13.046 1.426 -9.151 179 HA ARG 89 HA ARG 89 14.994 3.022 -10.412 180 HB2 ARG 89 2HB ARG 89 12.723 3.796 -9.861 181 HB3 ARG 89 1HB ARG 89 13.098 3.680 -8.153 182 HG2 ARG 89 2HG ARG 89 14.773 5.441 -8.417 183 HG3 ARG 89 1HG ARG 89 14.349 5.576 -10.128 184 HD2 ARG 89 2HD ARG 89 12.046 6.121 -9.516 185 HD3 ARG 89 1HD ARG 89 12.464 5.984 -7.812 186 HE ARG 89 HE ARG 89 14.188 7.827 -8.682 187 HH11 ARG 89 1HH1 ARG 89 10.687 7.513 -9.080 188 HH12 ARG 89 2HH1 ARG 89 10.355 9.181 -9.066 189 HH21 ARG 89 1HH2 ARG 89 13.754 10.170 -8.663 190 HH22 ARG 89 2HH2 ARG 89 12.166 10.739 -8.842 191 H ASN 90 H ASN 90 14.530 2.038 -7.040 192 HA ASN 90 HA ASN 90 16.784 3.345 -5.962 193 HB2 ASN 90 2HB ASN 90 15.066 1.084 -5.059 194 HB3 ASN 90 1HB ASN 90 16.605 1.311 -4.255 195 HD21 ASN 90 1HD2 ASN 90 13.490 2.622 -4.863 196 HD22 ASN 90 2HD2 ASN 90 13.508 3.789 -3.594 197 H GLY 91 H GLY 91 16.310 0.008 -6.868 198 HA2 GLY 91 2HA GLY 91 18.312 -0.670 -8.349 199 HA3 GLY 91 1HA GLY 91 19.219 -0.343 -6.874 200 H HIS 92 H HIS 92 15.996 -1.711 -6.819 201 HA HIS 92 HA HIS 92 17.129 -4.177 -5.733 202 HB2 HIS 92 2HB HIS 92 14.204 -3.384 -5.824 203 HB3 HIS 92 1HB HIS 92 14.937 -4.616 -4.816 204 HD1 HIS 92 1HD HIS 92 17.234 -2.426 -3.743 205 HD2 HIS 92 2HD HIS 92 13.089 -2.116 -3.650 206 HE1 HIS 92 1HE HIS 92 16.666 -0.626 -2.046 207 H ASN 93 H ASN 93 16.687 -6.111 -6.826 208 HA ASN 93 HA ASN 93 15.916 -5.671 -9.598 209 HB2 ASN 93 2HB ASN 93 17.097 -8.178 -8.359 210 HB3 ASN 93 1HB ASN 93 16.836 -7.896 -10.075 211 HD21 ASN 93 1HD2 ASN 93 18.205 -6.416 -11.166 212 HD22 ASN 93 2HD2 ASN 93 19.713 -5.947 -10.488 213 H VAL 94 H VAL 94 13.749 -5.441 -9.374 214 HA VAL 94 HA VAL 94 12.275 -7.819 -8.501 215 HB VAL 94 HB VAL 94 11.244 -4.979 -8.888 216 HG11 VAL 94 1HG1 VAL 94 9.850 -7.398 -7.734 217 HG12 VAL 94 2HG1 VAL 94 9.496 -6.649 -9.289 218 HG13 VAL 94 3HG1 VAL 94 9.194 -5.763 -7.792 219 HG21 VAL 94 1HG2 VAL 94 11.066 -4.913 -6.441 220 HG22 VAL 94 2HG2 VAL 94 12.732 -5.147 -6.969 221 HG23 VAL 94 3HG2 VAL 94 11.805 -6.512 -6.352 222 H SER 95 H SER 95 11.130 -8.945 -9.925 223 HA SER 95 HA SER 95 11.535 -8.633 -12.683 224 HB2 SER 95 2HB SER 95 11.217 -10.809 -11.615 225 HB3 SER 95 1HB SER 95 9.590 -10.349 -11.126 226 HG SER 95 HG SER 95 8.983 -11.102 -12.888 227 H THR 96 H THR 96 9.797 -8.450 -14.287 228 HA THR 96 HA THR 96 8.226 -6.147 -13.923 229 HB THR 96 HB THR 96 7.225 -6.925 -16.155 230 HG1 THR 96 1HG THR 96 8.894 -8.619 -17.010 231 HG21 THR 96 1HG2 THR 96 9.105 -5.333 -16.022 232 HG22 THR 96 2HG2 THR 96 9.301 -6.417 -17.397 233 HG23 THR 96 3HG2 THR 96 10.237 -6.682 -15.924 234 H ARG 97 H ARG 97 7.472 -9.589 -14.119 235 HA ARG 97 HA ARG 97 5.183 -9.144 -12.390 236 HB2 ARG 97 2HB ARG 97 5.177 -10.775 -14.915 237 HB3 ARG 97 1HB ARG 97 4.050 -11.093 -13.611 238 HG2 ARG 97 2HG ARG 97 3.245 -8.765 -13.831 239 HG3 ARG 97 1HG ARG 97 4.287 -8.587 -15.247 240 HD2 ARG 97 2HD ARG 97 3.148 -10.399 -16.357 241 HD3 ARG 97 1HD ARG 97 2.162 -10.694 -14.927 242 HE ARG 97 HE ARG 97 1.963 -8.037 -15.947 243 HH11 ARG 97 1HH1 ARG 97 0.675 -11.324 -16.185 244 HH12 ARG 97 2HH1 ARG 97 -0.804 -10.856 -16.897 245 HH21 ARG 97 1HH2 ARG 97 -0.014 -7.388 -16.920 246 HH22 ARG 97 2HH2 ARG 97 -1.223 -8.554 -17.303 247 H GLY 98 H GLY 98 4.619 -10.982 -11.138 248 HA2 GLY 98 2HA GLY 98 5.458 -13.438 -10.921 249 HA3 GLY 98 1HA GLY 98 6.948 -12.589 -10.499 250 H ARG 99 H ARG 99 7.152 -12.728 -8.375 251 HA ARG 99 HA ARG 99 4.790 -12.036 -6.795 252 HB2 ARG 99 2HB ARG 99 7.211 -13.668 -5.988 253 HB3 ARG 99 1HB ARG 99 6.048 -13.049 -4.835 254 HG2 ARG 99 2HG ARG 99 5.479 -15.307 -5.184 255 HG3 ARG 99 1HG ARG 99 4.298 -14.371 -6.091 256 HD2 ARG 99 2HD ARG 99 5.559 -14.775 -8.144 257 HD3 ARG 99 1HD ARG 99 6.739 -15.714 -7.233 258 HE ARG 99 HE ARG 99 4.075 -16.640 -6.896 259 HH11 ARG 99 1HH1 ARG 99 6.958 -16.885 -8.923 260 HH12 ARG 99 2HH1 ARG 99 6.514 -18.348 -9.667 261 HH21 ARG 99 1HH2 ARG 99 3.438 -18.663 -7.902 262 HH22 ARG 99 2HH2 ARG 99 4.423 -19.397 -9.063 263 H ILE 100 H ILE 100 4.931 -10.373 -5.396 264 HA ILE 100 HA ILE 100 7.332 -8.744 -5.704 265 HB ILE 100 HB ILE 100 4.577 -7.940 -4.697 266 HG12 ILE 100 2HG1 ILE 100 5.950 -7.294 -7.323 267 HG13 ILE 100 1HG1 ILE 100 4.651 -8.463 -7.131 268 HG21 ILE 100 1HG2 ILE 100 5.445 -5.632 -4.802 269 HG22 ILE 100 2HG2 ILE 100 7.023 -6.256 -5.288 270 HG23 ILE 100 3HG2 ILE 100 6.381 -6.635 -3.689 271 HD11 ILE 100 1HD1 ILE 100 3.835 -6.368 -8.042 272 HD12 ILE 100 2HD1 ILE 100 4.461 -5.500 -6.641 273 HD13 ILE 100 3HD1 ILE 100 3.147 -6.660 -6.446 274 HA PRO 101 HA PRO 101 8.355 -10.214 -1.574 275 HB2 PRO 101 2HB PRO 101 10.163 -7.872 -1.710 276 HB3 PRO 101 1HB PRO 101 10.556 -9.565 -1.355 277 HG2 PRO 101 2HG PRO 101 11.239 -8.519 -3.667 278 HG3 PRO 101 1HG PRO 101 10.630 -10.183 -3.559 279 HD2 PRO 101 2HD PRO 101 9.232 -7.734 -4.521 280 HD3 PRO 101 1HD PRO 101 9.150 -9.410 -5.110 281 H ALA 102 H ALA 102 7.112 -9.808 0.013 282 HA ALA 102 HA ALA 102 5.716 -7.437 0.545 283 HB1 ALA 102 1HB ALA 102 5.033 -9.629 1.429 284 HB2 ALA 102 2HB ALA 102 5.202 -8.445 2.727 285 HB3 ALA 102 3HB ALA 102 6.458 -9.651 2.469 286 H ASP 103 H ASP 103 8.814 -8.600 1.491 287 HA ASP 103 HA ASP 103 9.465 -6.680 3.438 288 HB2 ASP 103 2HB ASP 103 10.790 -8.688 3.205 289 HB3 ASP 103 1HB ASP 103 11.207 -8.248 1.552 290 H VAL 104 H VAL 104 9.736 -6.676 -0.071 291 HA VAL 104 HA VAL 104 11.089 -4.155 -0.171 292 HB VAL 104 HB VAL 104 9.721 -5.848 -2.276 293 HG11 VAL 104 1HG1 VAL 104 9.254 -3.552 -2.895 294 HG12 VAL 104 2HG1 VAL 104 10.476 -4.215 -3.991 295 HG13 VAL 104 3HG1 VAL 104 10.950 -3.104 -2.694 296 HG21 VAL 104 1HG2 VAL 104 11.986 -5.985 -3.198 297 HG22 VAL 104 2HG2 VAL 104 11.950 -6.514 -1.514 298 HG23 VAL 104 3HG2 VAL 104 12.565 -4.915 -1.924 299 H ILE 105 H ILE 105 7.792 -5.230 -0.318 300 HA ILE 105 HA ILE 105 6.557 -2.780 -0.892 301 HB ILE 105 HB ILE 105 5.553 -5.169 0.680 302 HG12 ILE 105 2HG1 ILE 105 5.134 -4.321 -2.187 303 HG13 ILE 105 1HG1 ILE 105 6.223 -5.580 -1.657 304 HG21 ILE 105 1HG2 ILE 105 4.216 -3.218 1.277 305 HG22 ILE 105 2HG2 ILE 105 3.276 -4.315 0.263 306 HG23 ILE 105 3HG2 ILE 105 3.955 -2.843 -0.425 307 HD11 ILE 105 1HD1 ILE 105 4.282 -6.878 -0.829 308 HD12 ILE 105 2HD1 ILE 105 4.156 -6.516 -2.549 309 HD13 ILE 105 3HD1 ILE 105 3.217 -5.585 -1.383 310 H ASP 106 H ASP 106 7.379 -4.301 2.192 311 HA ASP 106 HA ASP 106 6.422 -2.213 3.857 312 HB2 ASP 106 2HB ASP 106 7.033 -4.524 4.630 313 HB3 ASP 106 1HB ASP 106 8.723 -4.089 4.437 314 H ALA 107 H ALA 107 9.514 -2.854 2.351 315 HA ALA 107 HA ALA 107 11.002 -0.752 3.421 316 HB1 ALA 107 1HB ALA 107 12.471 -1.040 1.489 317 HB2 ALA 107 2HB ALA 107 11.194 -1.928 0.657 318 HB3 ALA 107 3HB ALA 107 11.938 -2.615 2.091 319 H TYR 108 H TYR 108 8.959 -0.908 0.561 320 HA TYR 108 HA TYR 108 9.288 1.684 -0.440 321 HB2 TYR 108 2HB TYR 108 8.226 -0.064 -1.734 322 HB3 TYR 108 1HB TYR 108 6.937 -0.217 -0.554 323 HD1 TYR 108 1HD TYR 108 5.020 1.218 -0.649 324 HD2 TYR 108 2HD TYR 108 8.355 1.945 -3.165 325 HE1 TYR 108 1HE TYR 108 3.684 2.821 -1.946 326 HE2 TYR 108 2HE TYR 108 7.036 3.545 -4.466 327 HH TYR 108 HH TYR 108 4.089 4.726 -3.368 328 H HIS 109 H HIS 109 6.927 0.353 1.783 329 HA HIS 109 HA HIS 109 5.618 2.837 2.177 330 HB2 HIS 109 2HB HIS 109 5.342 0.161 3.494 331 HB3 HIS 109 1HB HIS 109 4.452 1.544 4.098 332 HD1 HIS 109 1HD HIS 109 2.389 2.306 2.689 333 HD2 HIS 109 2HD HIS 109 4.582 -0.762 0.952 334 HE1 HIS 109 1HE HIS 109 1.002 1.441 0.772 335 H ALA 110 H ALA 110 8.377 1.442 3.613 336 HA ALA 110 HA ALA 110 8.173 3.152 5.946 337 HB1 ALA 110 1HB ALA 110 10.402 1.282 5.156 338 HB2 ALA 110 2HB ALA 110 9.040 0.871 6.197 339 HB3 ALA 110 3HB ALA 110 10.212 2.086 6.716 340 H ALA 111 H ALA 111 10.036 2.977 2.952 341 HA ALA 111 HA ALA 111 11.917 4.984 3.697 342 HB1 ALA 111 1HB ALA 111 12.562 4.997 1.346 343 HB2 ALA 111 2HB ALA 111 11.162 3.995 0.952 344 HB3 ALA 111 3HB ALA 111 12.448 3.357 1.972 345 H ASP 112 H ASP 112 11.975 7.102 3.255 346 HA ASP 112 HA ASP 112 9.497 8.286 2.282 347 HB2 ASP 112 2HB ASP 112 10.109 9.037 4.531 348 HB3 ASP 112 1HB ASP 112 11.708 9.492 3.952 Start of MODEL 6 1 H MET 65 1HT MET 65 1.184 25.016 -19.168 2 HA MET 65 HA MET 65 3.064 26.457 -17.424 3 HB2 MET 65 2HB MET 65 1.124 27.852 -18.219 4 HB3 MET 65 1HB MET 65 0.024 26.636 -17.608 5 HG2 MET 65 2HG MET 65 1.942 28.176 -15.863 6 HG3 MET 65 1HG MET 65 0.309 28.720 -16.219 7 HE1 MET 65 1HE MET 65 -0.090 28.910 -13.589 8 HE2 MET 65 2HE MET 65 1.541 28.309 -13.282 9 HE3 MET 65 3HE MET 65 0.162 27.578 -12.459 10 H SER 66 H SER 66 3.461 25.383 -15.562 11 HA SER 66 HA SER 66 2.535 22.711 -15.401 12 HB2 SER 66 2HB SER 66 4.217 24.300 -13.456 13 HB3 SER 66 1HB SER 66 3.996 22.547 -13.443 14 HG SER 66 HG SER 66 4.693 23.311 -15.894 15 H GLY 67 H GLY 67 0.381 22.793 -15.135 16 HA2 GLY 67 2HA GLY 67 -0.716 24.032 -12.747 17 HA3 GLY 67 1HA GLY 67 -1.630 23.289 -14.058 18 H SER 68 H SER 68 0.467 22.611 -11.348 19 HA SER 68 HA SER 68 0.075 19.822 -11.352 20 HB2 SER 68 2HB SER 68 0.824 21.643 -9.062 21 HB3 SER 68 1HB SER 68 1.175 19.919 -9.214 22 HG SER 68 HG SER 68 2.461 20.390 -11.001 23 H GLY 69 H GLY 69 -1.884 18.951 -11.041 24 HA2 GLY 69 2HA GLY 69 -3.447 19.838 -8.790 25 HA3 GLY 69 1HA GLY 69 -4.216 19.903 -10.380 26 H ARG 70 H ARG 70 -5.174 18.281 -8.341 27 HA ARG 70 HA ARG 70 -4.384 15.630 -9.334 28 HB2 ARG 70 2HB ARG 70 -3.870 16.266 -6.882 29 HB3 ARG 70 1HB ARG 70 -5.603 16.153 -6.636 30 HG2 ARG 70 2HG ARG 70 -4.856 14.057 -5.977 31 HG3 ARG 70 1HG ARG 70 -5.355 13.786 -7.646 32 HD2 ARG 70 2HD ARG 70 -2.526 14.259 -6.683 33 HD3 ARG 70 1HD ARG 70 -3.193 12.711 -7.175 34 HE ARG 70 HE ARG 70 -3.521 13.946 -9.414 35 HH11 ARG 70 1HH1 ARG 70 -0.739 14.257 -7.255 36 HH12 ARG 70 2HH1 ARG 70 0.320 14.796 -8.454 37 HH21 ARG 70 1HH2 ARG 70 -2.069 14.693 -11.076 38 HH22 ARG 70 2HH2 ARG 70 -0.463 15.073 -10.712 39 H GLY 71 H GLY 71 -6.089 14.276 -9.895 40 HA2 GLY 71 2HA GLY 71 -8.787 15.391 -9.562 41 HA3 GLY 71 1HA GLY 71 -8.263 14.651 -11.071 42 H ARG 72 H ARG 72 -8.906 14.056 -7.687 43 HA ARG 72 HA ARG 72 -8.755 11.213 -8.093 44 HB2 ARG 72 2HB ARG 72 -9.273 12.849 -5.623 45 HB3 ARG 72 1HB ARG 72 -9.373 11.095 -5.640 46 HG2 ARG 72 2HG ARG 72 -7.043 10.935 -6.297 47 HG3 ARG 72 1HG ARG 72 -6.926 12.690 -6.366 48 HD2 ARG 72 2HD ARG 72 -5.970 11.779 -4.295 49 HD3 ARG 72 1HD ARG 72 -7.337 12.839 -3.978 50 HE ARG 72 HE ARG 72 -8.653 10.673 -3.804 51 HH11 ARG 72 1HH1 ARG 72 -5.193 10.745 -2.963 52 HH12 ARG 72 2HH1 ARG 72 -5.369 9.621 -1.700 53 HH21 ARG 72 1HH2 ARG 72 -8.832 9.149 -2.044 54 HH22 ARG 72 2HH2 ARG 72 -7.434 8.738 -1.146 55 H GLY 73 H GLY 73 -10.381 10.737 -9.497 56 HA2 GLY 73 2HA GLY 73 -13.119 11.026 -8.511 57 HA3 GLY 73 1HA GLY 73 -12.639 10.436 -10.106 58 H ALA 74 H ALA 74 -10.503 8.966 -8.544 59 HA ALA 74 HA ALA 74 -12.081 6.729 -7.534 60 HB1 ALA 74 1HB ALA 74 -11.115 6.129 -9.714 61 HB2 ALA 74 2HB ALA 74 -10.281 5.260 -8.421 62 HB3 ALA 74 3HB ALA 74 -9.529 6.671 -9.167 63 H ILE 75 H ILE 75 -10.833 5.536 -5.908 64 HA ILE 75 HA ILE 75 -9.422 7.481 -4.306 65 HB ILE 75 HB ILE 75 -10.381 4.711 -3.540 66 HG12 ILE 75 2HG1 ILE 75 -11.688 7.406 -3.038 67 HG13 ILE 75 1HG1 ILE 75 -12.226 6.232 -4.229 68 HG21 ILE 75 1HG2 ILE 75 -9.511 7.062 -1.854 69 HG22 ILE 75 2HG2 ILE 75 -8.582 5.590 -2.125 70 HG23 ILE 75 3HG2 ILE 75 -10.112 5.518 -1.238 71 HD11 ILE 75 1HD1 ILE 75 -12.185 5.832 -1.248 72 HD12 ILE 75 2HD1 ILE 75 -12.735 4.656 -2.447 73 HD13 ILE 75 3HD1 ILE 75 -13.604 6.174 -2.240 74 H ASP 76 H ASP 76 -7.313 7.357 -3.935 75 HA ASP 76 HA ASP 76 -5.783 5.347 -5.338 76 HB2 ASP 76 2HB ASP 76 -5.053 7.649 -5.566 77 HB3 ASP 76 1HB ASP 76 -4.923 7.816 -3.821 78 H ARG 77 H ARG 77 -5.399 3.506 -4.384 79 HA ARG 77 HA ARG 77 -4.383 3.378 -1.637 80 HB2 ARG 77 2HB ARG 77 -6.624 1.645 -2.685 81 HB3 ARG 77 1HB ARG 77 -5.787 1.424 -1.168 82 HG2 ARG 77 2HG ARG 77 -6.703 3.424 -0.322 83 HG3 ARG 77 1HG ARG 77 -7.483 3.767 -1.888 84 HD2 ARG 77 2HD ARG 77 -8.701 1.626 -1.684 85 HD3 ARG 77 1HD ARG 77 -7.990 1.402 -0.093 86 HE ARG 77 HE ARG 77 -9.140 3.573 0.452 87 HH11 ARG 77 1HH1 ARG 77 -10.430 1.366 -1.994 88 HH12 ARG 77 2HH1 ARG 77 -12.059 1.691 -1.641 89 HH21 ARG 77 1HH2 ARG 77 -11.358 4.047 0.915 90 HH22 ARG 77 2HH2 ARG 77 -12.604 3.241 0.045 91 H GLU 78 H GLU 78 -2.823 1.781 -1.566 92 HA GLU 78 HA GLU 78 -1.559 0.019 -2.118 93 HB2 GLU 78 2HB GLU 78 -3.623 -1.191 -1.806 94 HB3 GLU 78 1HB GLU 78 -4.175 -0.783 -3.394 95 HG2 GLU 78 2HG GLU 78 -1.727 -2.490 -3.045 96 HG3 GLU 78 1HG GLU 78 -3.336 -3.198 -2.903 97 H GLN 79 H GLN 79 0.090 0.794 -3.323 98 HA GLN 79 HA GLN 79 -0.463 1.024 -6.184 99 HB2 GLN 79 2HB GLN 79 1.617 2.500 -4.610 100 HB3 GLN 79 1HB GLN 79 1.359 2.613 -6.345 101 HG2 GLN 79 2HG GLN 79 -0.937 3.483 -5.872 102 HG3 GLN 79 1HG GLN 79 -0.504 3.526 -4.162 103 HE21 GLN 79 1HE2 GLN 79 -1.247 5.728 -5.833 104 HE22 GLN 79 2HE2 GLN 79 0.089 6.809 -5.855 105 H SER 80 H SER 80 -0.051 -1.226 -6.235 106 HA SER 80 HA SER 80 2.420 -2.370 -5.555 107 HB2 SER 80 2HB SER 80 0.455 -3.328 -7.640 108 HB3 SER 80 1HB SER 80 1.809 -4.265 -7.015 109 HG SER 80 HG SER 80 -0.416 -3.264 -5.579 110 H ALA 81 H ALA 81 1.427 -0.808 -8.578 111 HA ALA 81 HA ALA 81 3.763 -1.588 -9.977 112 HB1 ALA 81 1HB ALA 81 1.989 0.793 -10.579 113 HB2 ALA 81 2HB ALA 81 1.713 -0.849 -11.157 114 HB3 ALA 81 3HB ALA 81 3.148 0.033 -11.668 115 H ALA 82 H ALA 82 2.864 1.291 -8.165 116 HA ALA 82 HA ALA 82 5.216 2.736 -8.622 117 HB1 ALA 82 1HB ALA 82 4.606 4.085 -6.715 118 HB2 ALA 82 2HB ALA 82 3.492 2.840 -6.159 119 HB3 ALA 82 3HB ALA 82 3.162 3.710 -7.659 120 H ILE 83 H ILE 83 4.481 0.246 -6.244 121 HA ILE 83 HA ILE 83 6.841 0.445 -4.715 122 HB ILE 83 HB ILE 83 5.247 -2.075 -5.344 123 HG12 ILE 83 2HG1 ILE 83 5.094 -0.237 -2.941 124 HG13 ILE 83 1HG1 ILE 83 3.926 -0.279 -4.255 125 HG21 ILE 83 1HG2 ILE 83 7.482 -2.611 -4.517 126 HG22 ILE 83 2HG2 ILE 83 6.265 -3.008 -3.304 127 HG23 ILE 83 3HG2 ILE 83 7.241 -1.545 -3.131 128 HD11 ILE 83 1HD1 ILE 83 4.530 -2.517 -2.334 129 HD12 ILE 83 2HD1 ILE 83 3.361 -2.588 -3.650 130 HD13 ILE 83 3HD1 ILE 83 3.109 -1.471 -2.309 131 H ARG 84 H ARG 84 6.073 -1.437 -7.602 132 HA ARG 84 HA ARG 84 8.544 -2.773 -7.942 133 HB2 ARG 84 2HB ARG 84 6.709 -1.815 -10.138 134 HB3 ARG 84 1HB ARG 84 7.907 -3.088 -10.260 135 HG2 ARG 84 2HG ARG 84 6.610 -4.499 -8.807 136 HG3 ARG 84 1HG ARG 84 5.458 -3.190 -8.522 137 HD2 ARG 84 2HD ARG 84 5.085 -3.147 -11.018 138 HD3 ARG 84 1HD ARG 84 5.990 -4.654 -11.092 139 HE ARG 84 HE ARG 84 4.285 -5.545 -9.527 140 HH11 ARG 84 1HH1 ARG 84 3.516 -2.980 -11.874 141 HH12 ARG 84 2HH1 ARG 84 1.845 -3.242 -11.799 142 HH21 ARG 84 1HH2 ARG 84 1.923 -5.890 -9.477 143 HH22 ARG 84 2HH2 ARG 84 0.927 -4.904 -10.434 144 H GLU 85 H GLU 85 7.329 0.301 -9.080 145 HA GLU 85 HA GLU 85 9.564 0.900 -10.700 146 HB2 GLU 85 2HB GLU 85 7.522 2.832 -9.603 147 HB3 GLU 85 1HB GLU 85 8.634 3.140 -10.929 148 HG2 GLU 85 2HG GLU 85 6.368 1.164 -10.876 149 HG3 GLU 85 1HG GLU 85 6.469 2.645 -11.823 150 H TRP 86 H TRP 86 8.688 1.748 -7.431 151 HA TRP 86 HA TRP 86 10.893 3.416 -6.883 152 HB2 TRP 86 2HB TRP 86 8.987 3.370 -5.405 153 HB3 TRP 86 1HB TRP 86 9.171 1.647 -5.142 154 HD1 TRP 86 HD TRP 86 10.582 5.014 -4.014 155 HE1 TRP 86 1HE TRP 86 11.932 4.656 -1.868 156 HE3 TRP 86 3HE TRP 86 10.510 -0.050 -3.916 157 HZ2 TRP 86 2HZ TRP 86 12.861 2.447 -0.310 158 HZ3 TRP 86 3HZ TRP 86 11.647 -1.233 -2.104 159 HH2 TRP 86 HH TRP 86 12.798 -0.007 -0.318 160 H ALA 87 H ALA 87 10.366 -0.036 -6.593 161 HA ALA 87 HA ALA 87 12.862 -0.705 -5.524 162 HB1 ALA 87 1HB ALA 87 12.299 -2.996 -6.252 163 HB2 ALA 87 2HB ALA 87 10.957 -2.333 -7.194 164 HB3 ALA 87 3HB ALA 87 10.950 -2.196 -5.441 165 H ARG 88 H ARG 88 11.735 -0.426 -8.891 166 HA ARG 88 HA ARG 88 14.274 -1.206 -9.960 167 HB2 ARG 88 2HB ARG 88 11.958 0.192 -11.354 168 HB3 ARG 88 1HB ARG 88 13.404 -0.374 -12.175 169 HG2 ARG 88 2HG ARG 88 12.828 -2.688 -11.278 170 HG3 ARG 88 1HG ARG 88 11.264 -2.007 -10.844 171 HD2 ARG 88 2HD ARG 88 12.422 -2.025 -13.638 172 HD3 ARG 88 1HD ARG 88 11.298 -3.220 -13.022 173 HE ARG 88 HE ARG 88 10.034 -0.764 -12.715 174 HH11 ARG 88 1HH1 ARG 88 11.251 -2.731 -15.418 175 HH12 ARG 88 2HH1 ARG 88 10.172 -2.083 -16.554 176 HH21 ARG 88 1HH2 ARG 88 8.580 0.130 -14.284 177 HH22 ARG 88 2HH2 ARG 88 8.603 -0.409 -15.899 178 H ARG 89 H ARG 89 12.804 1.806 -9.109 179 HA ARG 89 HA ARG 89 14.504 3.745 -10.151 180 HB2 ARG 89 2HB ARG 89 12.385 4.111 -8.929 181 HB3 ARG 89 1HB ARG 89 13.146 3.581 -7.455 182 HG2 ARG 89 2HG ARG 89 14.615 5.585 -7.568 183 HG3 ARG 89 1HG ARG 89 13.692 6.116 -8.983 184 HD2 ARG 89 2HD ARG 89 11.611 5.974 -7.645 185 HD3 ARG 89 1HD ARG 89 12.570 5.549 -6.237 186 HE ARG 89 HE ARG 89 13.162 8.066 -7.553 187 HH11 ARG 89 1HH1 ARG 89 11.663 6.434 -4.790 188 HH12 ARG 89 2HH1 ARG 89 11.395 7.875 -3.917 189 HH21 ARG 89 1HH2 ARG 89 12.792 10.026 -6.312 190 HH22 ARG 89 2HH2 ARG 89 12.043 9.911 -4.782 191 H ASN 90 H ASN 90 14.687 1.896 -7.179 192 HA ASN 90 HA ASN 90 17.313 2.837 -6.470 193 HB2 ASN 90 2HB ASN 90 15.486 0.730 -5.373 194 HB3 ASN 90 1HB ASN 90 17.102 0.881 -4.737 195 HD21 ASN 90 1HD2 ASN 90 13.924 2.136 -4.821 196 HD22 ASN 90 2HD2 ASN 90 14.154 3.406 -3.690 197 H GLY 91 H GLY 91 16.003 -0.296 -7.406 198 HA2 GLY 91 2HA GLY 91 17.174 -1.511 -9.190 199 HA3 GLY 91 1HA GLY 91 18.676 -1.033 -8.399 200 H HIS 92 H HIS 92 15.623 -2.294 -7.145 201 HA HIS 92 HA HIS 92 17.137 -4.250 -5.606 202 HB2 HIS 92 2HB HIS 92 14.176 -3.570 -5.471 203 HB3 HIS 92 1HB HIS 92 15.012 -4.683 -4.401 204 HD1 HIS 92 1HD HIS 92 17.406 -2.977 -3.514 205 HD2 HIS 92 2HD HIS 92 13.542 -1.514 -3.868 206 HE1 HIS 92 1HE HIS 92 17.302 -0.898 -2.085 207 H ASN 93 H ASN 93 16.096 -6.469 -5.487 208 HA ASN 93 HA ASN 93 15.814 -7.424 -8.180 209 HB2 ASN 93 2HB ASN 93 15.652 -8.962 -5.566 210 HB3 ASN 93 1HB ASN 93 15.666 -9.681 -7.170 211 HD21 ASN 93 1HD2 ASN 93 17.609 -9.809 -8.297 212 HD22 ASN 93 2HD2 ASN 93 19.115 -9.445 -7.570 213 H VAL 94 H VAL 94 13.949 -6.617 -8.937 214 HA VAL 94 HA VAL 94 11.453 -7.004 -7.517 215 HB VAL 94 HB VAL 94 11.819 -5.979 -10.331 216 HG11 VAL 94 1HG1 VAL 94 9.545 -6.606 -9.807 217 HG12 VAL 94 2HG1 VAL 94 9.673 -4.856 -9.952 218 HG13 VAL 94 3HG1 VAL 94 9.573 -5.601 -8.359 219 HG21 VAL 94 1HG2 VAL 94 11.755 -3.712 -9.387 220 HG22 VAL 94 2HG2 VAL 94 13.175 -4.619 -8.859 221 HG23 VAL 94 3HG2 VAL 94 11.802 -4.407 -7.768 222 H SER 95 H SER 95 12.858 -7.945 -10.625 223 HA SER 95 HA SER 95 12.390 -9.475 -12.139 224 HB2 SER 95 2HB SER 95 11.263 -11.093 -9.829 225 HB3 SER 95 1HB SER 95 11.767 -11.736 -11.397 226 HG SER 95 HG SER 95 13.671 -10.214 -10.230 227 H THR 96 H THR 96 11.007 -7.869 -12.874 228 HA THR 96 HA THR 96 8.336 -7.563 -12.312 229 HB THR 96 HB THR 96 8.301 -6.527 -14.685 230 HG1 THR 96 1HG THR 96 10.630 -7.766 -14.770 231 HG21 THR 96 1HG2 THR 96 8.446 -5.231 -12.597 232 HG22 THR 96 2HG2 THR 96 9.489 -4.539 -13.840 233 HG23 THR 96 3HG2 THR 96 10.187 -5.509 -12.543 234 H ARG 97 H ARG 97 7.103 -9.252 -12.264 235 HA ARG 97 HA ARG 97 6.131 -10.345 -14.759 236 HB2 ARG 97 2HB ARG 97 7.096 -12.067 -12.469 237 HB3 ARG 97 1HB ARG 97 5.999 -12.654 -13.707 238 HG2 ARG 97 2HG ARG 97 7.736 -12.270 -15.381 239 HG3 ARG 97 1HG ARG 97 8.812 -11.679 -14.113 240 HD2 ARG 97 2HD ARG 97 7.602 -14.435 -14.245 241 HD3 ARG 97 1HD ARG 97 9.250 -14.035 -14.685 242 HE ARG 97 HE ARG 97 8.094 -14.023 -12.008 243 HH11 ARG 97 1HH1 ARG 97 10.930 -13.706 -14.096 244 HH12 ARG 97 2HH1 ARG 97 12.078 -14.008 -12.882 245 HH21 ARG 97 1HH2 ARG 97 9.648 -14.471 -10.310 246 HH22 ARG 97 2HH2 ARG 97 11.316 -14.468 -10.628 247 H GLY 98 H GLY 98 5.664 -11.431 -11.426 248 HA2 GLY 98 2HA GLY 98 3.337 -9.771 -11.079 249 HA3 GLY 98 1HA GLY 98 2.990 -11.480 -11.306 250 H ARG 99 H ARG 99 5.797 -10.140 -9.675 251 HA ARG 99 HA ARG 99 4.727 -10.895 -7.100 252 HB2 ARG 99 2HB ARG 99 6.721 -12.278 -6.530 253 HB3 ARG 99 1HB ARG 99 5.696 -12.990 -7.759 254 HG2 ARG 99 2HG ARG 99 7.848 -13.416 -8.448 255 HG3 ARG 99 1HG ARG 99 7.346 -12.059 -9.453 256 HD2 ARG 99 2HD ARG 99 9.588 -11.669 -8.753 257 HD3 ARG 99 1HD ARG 99 8.552 -10.554 -7.872 258 HE ARG 99 HE ARG 99 8.783 -12.719 -6.223 259 HH11 ARG 99 1HH1 ARG 99 11.029 -10.329 -7.572 260 HH12 ARG 99 2HH1 ARG 99 12.249 -10.645 -6.429 261 HH21 ARG 99 1HH2 ARG 99 10.372 -13.071 -4.649 262 HH22 ARG 99 2HH2 ARG 99 11.861 -12.223 -4.673 263 H ILE 100 H ILE 100 5.867 -10.004 -5.324 264 HA ILE 100 HA ILE 100 8.057 -8.179 -5.916 265 HB ILE 100 HB ILE 100 5.616 -7.303 -4.307 266 HG12 ILE 100 2HG1 ILE 100 6.516 -6.279 -7.021 267 HG13 ILE 100 1HG1 ILE 100 5.122 -7.315 -6.729 268 HG21 ILE 100 1HG2 ILE 100 6.730 -5.111 -4.218 269 HG22 ILE 100 2HG2 ILE 100 8.098 -5.785 -5.107 270 HG23 ILE 100 3HG2 ILE 100 7.711 -6.393 -3.498 271 HD11 ILE 100 1HD1 ILE 100 5.477 -4.501 -5.705 272 HD12 ILE 100 2HD1 ILE 100 4.074 -5.533 -5.421 273 HD13 ILE 100 3HD1 ILE 100 4.454 -4.993 -7.053 274 HA PRO 101 HA PRO 101 9.341 -10.154 -1.998 275 HB2 PRO 101 2HB PRO 101 11.018 -7.712 -1.871 276 HB3 PRO 101 1HB PRO 101 11.516 -9.411 -1.746 277 HG2 PRO 101 2HG PRO 101 12.090 -8.051 -3.914 278 HG3 PRO 101 1HG PRO 101 11.554 -9.740 -4.017 279 HD2 PRO 101 2HD PRO 101 10.021 -7.259 -4.617 280 HD3 PRO 101 1HD PRO 101 10.002 -8.839 -5.427 281 H ALA 102 H ALA 102 8.347 -9.995 -0.202 282 HA ALA 102 HA ALA 102 6.593 -7.908 0.494 283 HB1 ALA 102 1HB ALA 102 7.786 -10.035 2.280 284 HB2 ALA 102 2HB ALA 102 6.322 -10.212 1.314 285 HB3 ALA 102 3HB ALA 102 6.365 -9.059 2.648 286 H ASP 103 H ASP 103 9.879 -8.608 1.284 287 HA ASP 103 HA ASP 103 10.271 -6.643 3.269 288 HB2 ASP 103 2HB ASP 103 12.230 -7.951 1.373 289 HB3 ASP 103 1HB ASP 103 12.717 -6.825 2.634 290 H VAL 104 H VAL 104 10.427 -6.586 -0.225 291 HA VAL 104 HA VAL 104 11.420 -3.922 -0.392 292 HB VAL 104 HB VAL 104 10.130 -5.782 -2.405 293 HG11 VAL 104 1HG1 VAL 104 9.300 -3.559 -2.957 294 HG12 VAL 104 2HG1 VAL 104 10.471 -4.110 -4.159 295 HG13 VAL 104 3HG1 VAL 104 10.946 -2.916 -2.943 296 HG21 VAL 104 1HG2 VAL 104 12.833 -4.453 -2.265 297 HG22 VAL 104 2HG2 VAL 104 12.306 -5.605 -3.492 298 HG23 VAL 104 3HG2 VAL 104 12.480 -6.120 -1.815 299 H ILE 105 H ILE 105 8.214 -5.344 -0.468 300 HA ILE 105 HA ILE 105 6.691 -3.031 -0.930 301 HB ILE 105 HB ILE 105 5.976 -5.478 0.714 302 HG12 ILE 105 2HG1 ILE 105 5.376 -4.788 -2.162 303 HG13 ILE 105 1HG1 ILE 105 6.608 -5.915 -1.631 304 HG21 ILE 105 1HG2 ILE 105 3.626 -4.856 0.332 305 HG22 ILE 105 2HG2 ILE 105 4.149 -3.362 -0.443 306 HG23 ILE 105 3HG2 ILE 105 4.480 -3.630 1.269 307 HD11 ILE 105 1HD1 ILE 105 3.634 -6.213 -1.207 308 HD12 ILE 105 2HD1 ILE 105 4.860 -7.358 -0.669 309 HD13 ILE 105 3HD1 ILE 105 4.606 -7.083 -2.392 310 H ASP 106 H ASP 106 7.697 -4.520 2.119 311 HA ASP 106 HA ASP 106 6.463 -2.562 3.754 312 HB2 ASP 106 2HB ASP 106 7.008 -4.792 4.598 313 HB3 ASP 106 1HB ASP 106 8.724 -4.451 4.402 314 H ALA 107 H ALA 107 9.688 -2.906 2.423 315 HA ALA 107 HA ALA 107 10.918 -0.762 3.732 316 HB1 ALA 107 1HB ALA 107 12.147 -2.435 2.460 317 HB2 ALA 107 2HB ALA 107 12.528 -0.808 1.879 318 HB3 ALA 107 3HB ALA 107 11.419 -1.848 0.970 319 H TYR 108 H TYR 108 9.136 -0.955 0.702 320 HA TYR 108 HA TYR 108 9.321 1.697 -0.137 321 HB2 TYR 108 2HB TYR 108 8.509 0.022 -1.628 322 HB3 TYR 108 1HB TYR 108 7.184 -0.406 -0.562 323 HD1 TYR 108 1HD TYR 108 8.422 2.000 -3.011 324 HD2 TYR 108 2HD TYR 108 5.164 0.978 -0.501 325 HE1 TYR 108 1HE TYR 108 7.011 3.564 -4.228 326 HE2 TYR 108 2HE TYR 108 3.728 2.551 -1.709 327 HH TYR 108 HH TYR 108 3.913 4.480 -3.051 328 H HIS 109 H HIS 109 6.931 0.111 1.921 329 HA HIS 109 HA HIS 109 5.382 2.453 2.333 330 HB2 HIS 109 2HB HIS 109 5.412 -0.222 3.699 331 HB3 HIS 109 1HB HIS 109 4.415 1.084 4.314 332 HD1 HIS 109 1HD HIS 109 2.093 1.160 3.339 333 HD2 HIS 109 2HD HIS 109 4.775 -0.805 0.848 334 HE1 HIS 109 1HE HIS 109 0.739 0.274 1.421 335 H ALA 110 H ALA 110 8.197 1.230 3.896 336 HA ALA 110 HA ALA 110 7.941 3.086 6.114 337 HB1 ALA 110 1HB ALA 110 10.120 2.235 6.820 338 HB2 ALA 110 2HB ALA 110 10.271 1.348 5.302 339 HB3 ALA 110 3HB ALA 110 9.015 0.907 6.460 340 H ALA 111 H ALA 111 9.259 3.062 2.956 341 HA ALA 111 HA ALA 111 11.099 5.246 3.411 342 HB1 ALA 111 1HB ALA 111 11.688 4.999 1.088 343 HB2 ALA 111 2HB ALA 111 10.336 3.897 0.841 344 HB3 ALA 111 3HB ALA 111 11.678 3.420 1.877 345 H ASP 112 H ASP 112 11.047 7.174 2.279 346 HA ASP 112 HA ASP 112 8.631 7.963 0.917 347 HB2 ASP 112 2HB ASP 112 8.232 8.866 3.134 348 HB3 ASP 112 1HB ASP 112 9.883 9.441 3.264 Start of MODEL 7 1 H MET 65 1HT MET 65 -20.608 1.593 -8.764 2 HA MET 65 HA MET 65 -18.891 -0.096 -8.645 3 HB2 MET 65 2HB MET 65 -17.627 2.677 -8.660 4 HB3 MET 65 1HB MET 65 -16.980 1.228 -9.391 5 HG2 MET 65 2HG MET 65 -18.760 1.190 -11.015 6 HG3 MET 65 1HG MET 65 -19.523 2.578 -10.239 7 HE1 MET 65 1HE MET 65 -18.295 4.101 -13.602 8 HE2 MET 65 2HE MET 65 -19.665 3.861 -12.516 9 HE3 MET 65 3HE MET 65 -18.939 2.481 -13.335 10 H SER 66 H SER 66 -17.838 2.667 -6.659 11 HA SER 66 HA SER 66 -16.973 0.744 -4.644 12 HB2 SER 66 2HB SER 66 -15.089 2.444 -4.241 13 HB3 SER 66 1HB SER 66 -14.970 1.419 -5.677 14 HG SER 66 HG SER 66 -15.136 4.109 -5.489 15 H GLY 67 H GLY 67 -17.893 4.074 -5.378 16 HA2 GLY 67 2HA GLY 67 -19.312 5.464 -4.256 17 HA3 GLY 67 1HA GLY 67 -19.562 4.190 -3.066 18 H SER 68 H SER 68 -19.384 5.775 -1.473 19 HA SER 68 HA SER 68 -16.594 6.463 -0.949 20 HB2 SER 68 2HB SER 68 -17.521 8.422 0.376 21 HB3 SER 68 1HB SER 68 -17.759 8.532 -1.364 22 HG SER 68 HG SER 68 -19.918 7.515 -0.822 23 H GLY 69 H GLY 69 -15.837 6.062 1.126 24 HA2 GLY 69 2HA GLY 69 -17.336 4.138 2.661 25 HA3 GLY 69 1HA GLY 69 -15.755 4.831 3.074 26 H ARG 70 H ARG 70 -16.196 7.392 2.905 27 HA ARG 70 HA ARG 70 -16.880 9.261 3.901 28 HB2 ARG 70 2HB ARG 70 -18.825 8.723 2.492 29 HB3 ARG 70 1HB ARG 70 -19.588 7.960 3.873 30 HG2 ARG 70 2HG ARG 70 -19.740 10.063 5.018 31 HG3 ARG 70 1HG ARG 70 -18.783 10.857 3.762 32 HD2 ARG 70 2HD ARG 70 -21.522 9.645 3.475 33 HD3 ARG 70 1HD ARG 70 -21.090 11.356 3.363 34 HE ARG 70 HE ARG 70 -20.148 9.317 1.445 35 HH11 ARG 70 1HH1 ARG 70 -21.436 12.553 2.038 36 HH12 ARG 70 2HH1 ARG 70 -21.439 12.995 0.393 37 HH21 ARG 70 1HH2 ARG 70 -20.114 9.909 -0.745 38 HH22 ARG 70 2HH2 ARG 70 -20.657 11.448 -1.247 39 H GLY 71 H GLY 71 -15.806 9.268 5.759 40 HA2 GLY 71 2HA GLY 71 -16.712 9.785 8.109 41 HA3 GLY 71 1HA GLY 71 -16.994 8.043 8.118 42 H ARG 72 H ARG 72 -15.244 6.655 7.838 43 HA ARG 72 HA ARG 72 -12.866 7.559 9.170 44 HB2 ARG 72 2HB ARG 72 -13.524 4.887 7.907 45 HB3 ARG 72 1HB ARG 72 -12.107 5.208 8.888 46 HG2 ARG 72 2HG ARG 72 -13.514 5.638 10.820 47 HG3 ARG 72 1HG ARG 72 -14.960 5.383 9.838 48 HD2 ARG 72 2HD ARG 72 -14.422 3.389 11.147 49 HD3 ARG 72 1HD ARG 72 -14.276 3.068 9.422 50 HE ARG 72 HE ARG 72 -11.774 3.836 10.436 51 HH11 ARG 72 1HH1 ARG 72 -13.971 1.065 10.623 52 HH12 ARG 72 2HH1 ARG 72 -12.733 -0.053 10.963 53 HH21 ARG 72 1HH2 ARG 72 -10.104 2.288 10.847 54 HH22 ARG 72 2HH2 ARG 72 -10.478 0.649 11.054 55 H GLY 73 H GLY 73 -13.882 6.731 5.963 56 HA2 GLY 73 2HA GLY 73 -12.462 8.187 4.358 57 HA3 GLY 73 1HA GLY 73 -11.217 7.042 4.867 58 H ALA 74 H ALA 74 -11.006 5.916 2.975 59 HA ALA 74 HA ALA 74 -13.212 4.128 2.406 60 HB1 ALA 74 1HB ALA 74 -11.775 5.713 0.269 61 HB2 ALA 74 2HB ALA 74 -13.456 5.938 0.762 62 HB3 ALA 74 3HB ALA 74 -12.955 4.432 -0.009 63 H ILE 75 H ILE 75 -12.543 2.163 1.717 64 HA ILE 75 HA ILE 75 -9.760 1.551 2.204 65 HB ILE 75 HB ILE 75 -12.012 -0.257 1.337 66 HG12 ILE 75 2HG1 ILE 75 -11.018 0.232 4.158 67 HG13 ILE 75 1HG1 ILE 75 -12.470 0.954 3.486 68 HG21 ILE 75 1HG2 ILE 75 -10.600 -2.066 2.289 69 HG22 ILE 75 2HG2 ILE 75 -9.344 -0.877 2.633 70 HG23 ILE 75 3HG2 ILE 75 -9.801 -1.218 0.966 71 HD11 ILE 75 1HD1 ILE 75 -12.988 -0.944 4.891 72 HD12 ILE 75 2HD1 ILE 75 -11.985 -1.993 3.875 73 HD13 ILE 75 3HD1 ILE 75 -13.447 -1.242 3.215 74 H ASP 76 H ASP 76 -8.402 1.617 0.601 75 HA ASP 76 HA ASP 76 -9.472 1.491 -2.134 76 HB2 ASP 76 2HB ASP 76 -8.597 3.748 -1.353 77 HB3 ASP 76 1HB ASP 76 -6.995 3.026 -1.298 78 H ARG 77 H ARG 77 -6.948 1.385 -3.431 79 HA ARG 77 HA ARG 77 -6.505 -1.469 -3.108 80 HB2 ARG 77 2HB ARG 77 -5.965 0.465 -5.333 81 HB3 ARG 77 1HB ARG 77 -5.537 -1.235 -5.394 82 HG2 ARG 77 2HG ARG 77 -7.662 -1.897 -5.229 83 HG3 ARG 77 1HG ARG 77 -8.316 -0.276 -4.896 84 HD2 ARG 77 2HD ARG 77 -7.142 0.238 -7.234 85 HD3 ARG 77 1HD ARG 77 -7.350 -1.497 -7.467 86 HE ARG 77 HE ARG 77 -9.616 0.171 -6.704 87 HH11 ARG 77 1HH1 ARG 77 -8.174 -2.073 -9.047 88 HH12 ARG 77 2HH1 ARG 77 -9.488 -2.027 -10.117 89 HH21 ARG 77 1HH2 ARG 77 -11.423 0.223 -8.182 90 HH22 ARG 77 2HH2 ARG 77 -11.380 -0.689 -9.612 91 H GLU 78 H GLU 78 -4.235 -1.799 -4.294 92 HA GLU 78 HA GLU 78 -2.278 -0.540 -2.568 93 HB2 GLU 78 2HB GLU 78 -2.743 -2.914 -2.317 94 HB3 GLU 78 1HB GLU 78 -2.400 -3.148 -4.006 95 HG2 GLU 78 2HG GLU 78 -0.061 -2.423 -3.665 96 HG3 GLU 78 1HG GLU 78 -0.387 -2.202 -1.949 97 H GLN 79 H GLN 79 -0.691 0.574 -3.645 98 HA GLN 79 HA GLN 79 -0.859 0.697 -6.550 99 HB2 GLN 79 2HB GLN 79 0.855 2.244 -4.631 100 HB3 GLN 79 1HB GLN 79 0.739 2.535 -6.366 101 HG2 GLN 79 2HG GLN 79 -1.517 2.821 -4.373 102 HG3 GLN 79 1HG GLN 79 -0.627 4.151 -5.110 103 HE21 GLN 79 1HE2 GLN 79 -3.455 3.478 -5.184 104 HE22 GLN 79 2HE2 GLN 79 -3.899 3.349 -6.854 105 H SER 80 H SER 80 -0.186 -1.615 -6.146 106 HA SER 80 HA SER 80 2.270 -2.608 -5.482 107 HB2 SER 80 2HB SER 80 0.615 -3.616 -7.767 108 HB3 SER 80 1HB SER 80 1.576 -4.550 -6.623 109 HG SER 80 HG SER 80 0.078 -4.248 -5.063 110 H ALA 81 H ALA 81 1.228 -1.495 -8.704 111 HA ALA 81 HA ALA 81 3.510 -2.065 -10.169 112 HB1 ALA 81 1HB ALA 81 1.619 0.257 -10.514 113 HB2 ALA 81 2HB ALA 81 1.402 -1.359 -11.184 114 HB3 ALA 81 3HB ALA 81 2.738 -0.344 -11.733 115 H ALA 82 H ALA 82 2.711 0.859 -8.347 116 HA ALA 82 HA ALA 82 4.996 2.353 -9.069 117 HB1 ALA 82 1HB ALA 82 4.385 3.833 -7.230 118 HB2 ALA 82 2HB ALA 82 3.275 2.612 -6.602 119 HB3 ALA 82 3HB ALA 82 2.954 3.379 -8.159 120 H ILE 83 H ILE 83 4.333 0.079 -6.524 121 HA ILE 83 HA ILE 83 6.650 0.502 -4.973 122 HB ILE 83 HB ILE 83 5.074 -2.081 -5.309 123 HG12 ILE 83 2HG1 ILE 83 4.805 0.118 -3.242 124 HG13 ILE 83 1HG1 ILE 83 3.677 -0.189 -4.553 125 HG21 ILE 83 1HG2 ILE 83 6.964 -1.231 -3.109 126 HG22 ILE 83 2HG2 ILE 83 7.274 -2.474 -4.321 127 HG23 ILE 83 3HG2 ILE 83 6.002 -2.708 -3.121 128 HD11 ILE 83 1HD1 ILE 83 4.270 -2.032 -2.245 129 HD12 ILE 83 2HD1 ILE 83 3.154 -2.377 -3.562 130 HD13 ILE 83 3HD1 ILE 83 2.822 -1.046 -2.454 131 H ARG 84 H ARG 84 5.992 -1.545 -7.773 132 HA ARG 84 HA ARG 84 8.548 -2.835 -7.796 133 HB2 ARG 84 2HB ARG 84 6.738 -2.371 -10.164 134 HB3 ARG 84 1HB ARG 84 8.066 -3.510 -10.082 135 HG2 ARG 84 2HG ARG 84 6.809 -4.694 -8.281 136 HG3 ARG 84 1HG ARG 84 5.441 -3.632 -8.633 137 HD2 ARG 84 2HD ARG 84 5.624 -4.362 -11.023 138 HD3 ARG 84 1HD ARG 84 6.777 -5.586 -10.493 139 HE ARG 84 HE ARG 84 4.012 -5.409 -9.529 140 HH11 ARG 84 1HH1 ARG 84 6.738 -7.470 -10.641 141 HH12 ARG 84 2HH1 ARG 84 5.797 -8.881 -10.510 142 HH21 ARG 84 1HH2 ARG 84 2.833 -7.359 -9.466 143 HH22 ARG 84 2HH2 ARG 84 3.555 -8.837 -9.895 144 H GLU 85 H GLU 85 7.219 0.021 -9.303 145 HA GLU 85 HA GLU 85 9.441 0.634 -10.925 146 HB2 GLU 85 2HB GLU 85 7.477 2.594 -9.716 147 HB3 GLU 85 1HB GLU 85 8.539 2.902 -11.080 148 HG2 GLU 85 2HG GLU 85 6.193 1.028 -10.968 149 HG3 GLU 85 1HG GLU 85 6.358 2.498 -11.922 150 H TRP 86 H TRP 86 8.557 1.658 -7.683 151 HA TRP 86 HA TRP 86 10.814 3.236 -7.073 152 HB2 TRP 86 2HB TRP 86 8.831 3.297 -5.681 153 HB3 TRP 86 1HB TRP 86 8.957 1.579 -5.347 154 HD1 TRP 86 HD TRP 86 10.512 4.939 -4.351 155 HE1 TRP 86 1HE TRP 86 11.800 4.618 -2.156 156 HE3 TRP 86 3HE TRP 86 10.152 -0.117 -3.949 157 HZ2 TRP 86 2HZ TRP 86 12.581 2.481 -0.463 158 HZ3 TRP 86 3HZ TRP 86 11.206 -1.236 -2.021 159 HH2 TRP 86 HH TRP 86 12.387 0.041 -0.316 160 H ALA 87 H ALA 87 10.205 -0.209 -6.658 161 HA ALA 87 HA ALA 87 12.575 -0.921 -5.369 162 HB1 ALA 87 1HB ALA 87 10.646 -2.398 -5.575 163 HB2 ALA 87 2HB ALA 87 12.092 -3.195 -6.215 164 HB3 ALA 87 3HB ALA 87 10.897 -2.494 -7.311 165 H ARG 88 H ARG 88 11.818 -0.856 -8.829 166 HA ARG 88 HA ARG 88 14.450 -1.587 -9.632 167 HB2 ARG 88 2HB ARG 88 12.211 -0.314 -11.229 168 HB3 ARG 88 1HB ARG 88 13.714 -0.908 -11.927 169 HG2 ARG 88 2HG ARG 88 13.170 -3.161 -11.000 170 HG3 ARG 88 1HG ARG 88 11.607 -2.521 -10.509 171 HD2 ARG 88 2HD ARG 88 12.617 -2.544 -13.352 172 HD3 ARG 88 1HD ARG 88 11.602 -3.795 -12.649 173 HE ARG 88 HE ARG 88 10.224 -1.468 -12.259 174 HH11 ARG 88 1HH1 ARG 88 11.627 -3.075 -15.083 175 HH12 ARG 88 2HH1 ARG 88 10.384 -2.625 -16.156 176 HH21 ARG 88 1HH2 ARG 88 8.440 -0.879 -13.771 177 HH22 ARG 88 2HH2 ARG 88 8.552 -1.346 -15.395 178 H ARG 89 H ARG 89 12.862 1.431 -9.033 179 HA ARG 89 HA ARG 89 14.765 3.196 -10.098 180 HB2 ARG 89 2HB ARG 89 12.461 3.835 -9.339 181 HB3 ARG 89 1HB ARG 89 12.950 3.572 -7.682 182 HG2 ARG 89 2HG ARG 89 14.340 5.582 -9.396 183 HG3 ARG 89 1HG ARG 89 12.810 5.976 -8.615 184 HD2 ARG 89 2HD ARG 89 13.763 5.601 -6.450 185 HD3 ARG 89 1HD ARG 89 15.254 4.977 -7.146 186 HE ARG 89 HE ARG 89 14.839 7.541 -8.137 187 HH11 ARG 89 1HH1 ARG 89 15.511 6.085 -4.966 188 HH12 ARG 89 2HH1 ARG 89 16.339 7.422 -4.358 189 HH21 ARG 89 1HH2 ARG 89 15.962 9.395 -7.297 190 HH22 ARG 89 2HH2 ARG 89 16.614 9.379 -5.721 191 H ASN 90 H ASN 90 14.525 1.593 -7.019 192 HA ASN 90 HA ASN 90 16.944 2.749 -5.995 193 HB2 ASN 90 2HB ASN 90 15.129 0.569 -5.059 194 HB3 ASN 90 1HB ASN 90 16.677 0.774 -4.271 195 HD21 ASN 90 1HD2 ASN 90 13.541 2.080 -4.815 196 HD22 ASN 90 2HD2 ASN 90 13.615 3.293 -3.598 197 H GLY 91 H GLY 91 16.085 -0.481 -7.097 198 HA2 GLY 91 2HA GLY 91 17.834 -1.327 -8.748 199 HA3 GLY 91 1HA GLY 91 18.968 -1.001 -7.442 200 H HIS 92 H HIS 92 15.775 -2.201 -6.780 201 HA HIS 92 HA HIS 92 16.934 -4.655 -5.714 202 HB2 HIS 92 2HB HIS 92 14.012 -3.825 -5.700 203 HB3 HIS 92 1HB HIS 92 14.781 -5.019 -4.674 204 HD1 HIS 92 1HD HIS 92 17.183 -2.923 -3.762 205 HD2 HIS 92 2HD HIS 92 13.062 -2.332 -3.635 206 HE1 HIS 92 1HE HIS 92 16.780 -1.091 -2.111 207 H ASN 93 H ASN 93 16.348 -6.682 -6.634 208 HA ASN 93 HA ASN 93 15.701 -6.379 -9.423 209 HB2 ASN 93 2HB ASN 93 16.467 -8.922 -7.974 210 HB3 ASN 93 1HB ASN 93 16.368 -8.697 -9.717 211 HD21 ASN 93 1HD2 ASN 93 17.969 -7.348 -10.733 212 HD22 ASN 93 2HD2 ASN 93 19.463 -7.028 -9.949 213 H VAL 94 H VAL 94 13.570 -5.675 -8.483 214 HA VAL 94 HA VAL 94 11.688 -7.898 -8.325 215 HB VAL 94 HB VAL 94 11.177 -4.907 -8.089 216 HG11 VAL 94 1HG1 VAL 94 9.200 -6.128 -8.858 217 HG12 VAL 94 2HG1 VAL 94 8.972 -5.556 -7.204 218 HG13 VAL 94 3HG1 VAL 94 9.358 -7.249 -7.504 219 HG21 VAL 94 1HG2 VAL 94 11.361 -7.013 -5.933 220 HG22 VAL 94 2HG2 VAL 94 10.900 -5.329 -5.686 221 HG23 VAL 94 3HG2 VAL 94 12.530 -5.727 -6.236 222 H SER 95 H SER 95 10.888 -8.591 -10.154 223 HA SER 95 HA SER 95 11.259 -6.912 -12.505 224 HB2 SER 95 2HB SER 95 12.364 -9.155 -12.417 225 HB3 SER 95 1HB SER 95 10.772 -9.895 -12.330 226 HG SER 95 HG SER 95 11.835 -8.330 -14.437 227 H THR 96 H THR 96 9.582 -7.571 -14.280 228 HA THR 96 HA THR 96 7.026 -6.718 -13.445 229 HB THR 96 HB THR 96 6.644 -7.321 -15.972 230 HG1 THR 96 1HG THR 96 8.837 -7.328 -17.014 231 HG21 THR 96 1HG2 THR 96 7.766 -5.254 -16.659 232 HG22 THR 96 2HG2 THR 96 8.735 -5.272 -15.186 233 HG23 THR 96 3HG2 THR 96 6.994 -5.018 -15.091 234 H ARG 97 H ARG 97 8.502 -9.646 -14.658 235 HA ARG 97 HA ARG 97 6.119 -11.232 -14.120 236 HB2 ARG 97 2HB ARG 97 8.802 -12.069 -15.258 237 HB3 ARG 97 1HB ARG 97 7.359 -13.066 -15.178 238 HG2 ARG 97 2HG ARG 97 6.223 -11.641 -16.748 239 HG3 ARG 97 1HG ARG 97 7.581 -10.513 -16.755 240 HD2 ARG 97 2HD ARG 97 9.015 -12.261 -17.696 241 HD3 ARG 97 1HD ARG 97 7.654 -13.382 -17.679 242 HE ARG 97 HE ARG 97 6.773 -11.220 -19.083 243 HH11 ARG 97 1HH1 ARG 97 9.540 -13.398 -19.507 244 HH12 ARG 97 2HH1 ARG 97 9.495 -13.306 -21.217 245 HH21 ARG 97 1HH2 ARG 97 6.750 -11.096 -21.396 246 HH22 ARG 97 2HH2 ARG 97 7.878 -11.979 -22.315 247 H GLY 98 H GLY 98 6.014 -11.316 -11.904 248 HA2 GLY 98 2HA GLY 98 7.225 -13.188 -10.455 249 HA3 GLY 98 1HA GLY 98 8.373 -11.859 -10.366 250 H ARG 99 H ARG 99 7.450 -12.578 -8.103 251 HA ARG 99 HA ARG 99 5.023 -11.209 -7.290 252 HB2 ARG 99 2HB ARG 99 5.702 -13.381 -6.296 253 HB3 ARG 99 1HB ARG 99 7.157 -12.623 -5.673 254 HG2 ARG 99 2HG ARG 99 5.502 -10.989 -4.523 255 HG3 ARG 99 1HG ARG 99 4.327 -12.268 -4.795 256 HD2 ARG 99 2HD ARG 99 6.924 -12.484 -3.281 257 HD3 ARG 99 1HD ARG 99 5.317 -12.417 -2.577 258 HE ARG 99 HE ARG 99 6.246 -14.621 -4.291 259 HH11 ARG 99 1HH1 ARG 99 4.456 -13.459 -1.440 260 HH12 ARG 99 2HH1 ARG 99 4.214 -15.007 -0.788 261 HH21 ARG 99 1HH2 ARG 99 5.917 -16.766 -3.338 262 HH22 ARG 99 2HH2 ARG 99 5.033 -16.921 -1.893 263 H ILE 100 H ILE 100 5.009 -9.402 -5.927 264 HA ILE 100 HA ILE 100 7.430 -7.821 -5.723 265 HB ILE 100 HB ILE 100 4.689 -7.336 -4.521 266 HG12 ILE 100 2HG1 ILE 100 5.860 -6.173 -7.049 267 HG13 ILE 100 1HG1 ILE 100 4.675 -7.471 -7.013 268 HG21 ILE 100 1HG2 ILE 100 6.490 -6.132 -3.421 269 HG22 ILE 100 2HG2 ILE 100 5.458 -5.009 -4.307 270 HG23 ILE 100 3HG2 ILE 100 7.032 -5.471 -4.963 271 HD11 ILE 100 1HD1 ILE 100 3.085 -5.996 -5.938 272 HD12 ILE 100 2HD1 ILE 100 3.656 -5.315 -7.466 273 HD13 ILE 100 3HD1 ILE 100 4.274 -4.694 -5.937 274 HA PRO 101 HA PRO 101 8.291 -9.961 -1.781 275 HB2 PRO 101 2HB PRO 101 10.248 -7.748 -1.582 276 HB3 PRO 101 1HB PRO 101 10.521 -9.498 -1.460 277 HG2 PRO 101 2HG PRO 101 11.332 -8.203 -3.591 278 HG3 PRO 101 1HG PRO 101 10.591 -9.812 -3.733 279 HD2 PRO 101 2HD PRO 101 9.385 -7.142 -4.296 280 HD3 PRO 101 1HD PRO 101 9.233 -8.673 -5.187 281 H ALA 102 H ALA 102 7.193 -9.672 -0.062 282 HA ALA 102 HA ALA 102 5.791 -7.391 0.716 283 HB1 ALA 102 1HB ALA 102 5.258 -9.647 1.535 284 HB2 ALA 102 2HB ALA 102 5.473 -8.518 2.875 285 HB3 ALA 102 3HB ALA 102 6.754 -9.658 2.465 286 H ASP 103 H ASP 103 8.984 -8.511 1.479 287 HA ASP 103 HA ASP 103 9.716 -6.638 3.436 288 HB2 ASP 103 2HB ASP 103 11.118 -8.586 2.913 289 HB3 ASP 103 1HB ASP 103 11.439 -7.939 1.309 290 H VAL 104 H VAL 104 9.754 -6.518 -0.071 291 HA VAL 104 HA VAL 104 10.925 -3.935 -0.273 292 HB VAL 104 HB VAL 104 9.444 -5.700 -2.241 293 HG11 VAL 104 1HG1 VAL 104 9.877 -4.057 -4.017 294 HG12 VAL 104 2HG1 VAL 104 10.463 -2.906 -2.812 295 HG13 VAL 104 3HG1 VAL 104 8.772 -3.425 -2.796 296 HG21 VAL 104 1HG2 VAL 104 11.760 -6.213 -1.709 297 HG22 VAL 104 2HG2 VAL 104 12.235 -4.580 -2.171 298 HG23 VAL 104 3HG2 VAL 104 11.589 -5.686 -3.384 299 H ILE 105 H ILE 105 7.625 -5.116 -0.190 300 HA ILE 105 HA ILE 105 6.316 -2.675 -0.670 301 HB ILE 105 HB ILE 105 5.373 -5.026 1.007 302 HG12 ILE 105 2HG1 ILE 105 4.872 -4.323 -1.893 303 HG13 ILE 105 1HG1 ILE 105 5.949 -5.579 -1.324 304 HG21 ILE 105 1HG2 ILE 105 4.065 -3.028 1.528 305 HG22 ILE 105 2HG2 ILE 105 3.092 -4.173 0.607 306 HG23 ILE 105 3HG2 ILE 105 3.770 -2.754 -0.188 307 HD11 ILE 105 1HD1 ILE 105 2.956 -5.510 -0.955 308 HD12 ILE 105 2HD1 ILE 105 4.024 -6.786 -0.373 309 HD13 ILE 105 3HD1 ILE 105 3.842 -6.507 -2.108 310 H ASP 106 H ASP 106 7.286 -4.187 2.377 311 HA ASP 106 HA ASP 106 6.355 -2.068 4.046 312 HB2 ASP 106 2HB ASP 106 6.712 -4.266 4.993 313 HB3 ASP 106 1HB ASP 106 8.404 -4.244 4.523 314 H ALA 107 H ALA 107 9.430 -2.756 2.505 315 HA ALA 107 HA ALA 107 10.920 -0.666 3.656 316 HB1 ALA 107 1HB ALA 107 11.187 -1.906 0.924 317 HB2 ALA 107 2HB ALA 107 11.903 -2.533 2.403 318 HB3 ALA 107 3HB ALA 107 12.436 -0.971 1.758 319 H TYR 108 H TYR 108 8.977 -0.857 0.724 320 HA TYR 108 HA TYR 108 9.308 1.702 -0.290 321 HB2 TYR 108 2HB TYR 108 8.221 0.017 -1.600 322 HB3 TYR 108 1HB TYR 108 6.978 -0.221 -0.386 323 HD1 TYR 108 1HD TYR 108 5.047 1.189 -0.305 324 HD2 TYR 108 2HD TYR 108 8.180 2.011 -3.050 325 HE1 TYR 108 1HE TYR 108 3.594 2.777 -1.467 326 HE2 TYR 108 2HE TYR 108 6.746 3.599 -4.225 327 HH TYR 108 HH TYR 108 3.883 4.736 -2.845 328 H HIS 109 H HIS 109 6.911 0.491 1.987 329 HA HIS 109 HA HIS 109 5.643 2.995 2.309 330 HB2 HIS 109 2HB HIS 109 5.427 0.392 3.762 331 HB3 HIS 109 1HB HIS 109 4.567 1.783 4.372 332 HD1 HIS 109 1HD HIS 109 2.471 2.548 2.977 333 HD2 HIS 109 2HD HIS 109 4.518 -0.669 1.364 334 HE1 HIS 109 1HE HIS 109 0.961 1.584 1.202 335 H ALA 110 H ALA 110 8.340 1.529 3.893 336 HA ALA 110 HA ALA 110 8.217 3.395 6.105 337 HB1 ALA 110 1HB ALA 110 10.103 2.192 7.027 338 HB2 ALA 110 2HB ALA 110 10.310 1.312 5.514 339 HB3 ALA 110 3HB ALA 110 8.867 1.054 6.490 340 H ALA 111 H ALA 111 9.988 3.084 3.105 341 HA ALA 111 HA ALA 111 11.974 5.031 3.933 342 HB1 ALA 111 1HB ALA 111 11.579 3.730 1.242 343 HB2 ALA 111 2HB ALA 111 12.646 3.140 2.516 344 HB3 ALA 111 3HB ALA 111 12.972 4.692 1.740 345 H ASP 112 H ASP 112 12.077 7.109 3.359 346 HA ASP 112 HA ASP 112 9.729 8.211 2.044 347 HB2 ASP 112 2HB ASP 112 10.245 9.257 4.174 348 HB3 ASP 112 1HB ASP 112 11.898 9.576 3.654 Start of MODEL 8 1 H MET 65 1HT MET 65 -5.712 -9.446 -31.410 2 HA MET 65 HA MET 65 -4.670 -7.310 -30.819 3 HB2 MET 65 2HB MET 65 -7.007 -6.903 -32.711 4 HB3 MET 65 1HB MET 65 -5.551 -5.940 -32.645 5 HG2 MET 65 2HG MET 65 -4.239 -7.824 -33.446 6 HG3 MET 65 1HG MET 65 -5.683 -8.833 -33.443 7 HE1 MET 65 1HE MET 65 -5.001 -8.359 -37.268 8 HE2 MET 65 2HE MET 65 -5.249 -9.517 -35.964 9 HE3 MET 65 3HE MET 65 -3.801 -8.513 -35.985 10 H SER 66 H SER 66 -4.894 -5.978 -29.102 11 HA SER 66 HA SER 66 -7.458 -5.333 -28.048 12 HB2 SER 66 2HB SER 66 -4.721 -4.252 -27.359 13 HB3 SER 66 1HB SER 66 -6.179 -4.143 -26.364 14 HG SER 66 HG SER 66 -5.965 -6.647 -26.949 15 H GLY 67 H GLY 67 -8.561 -3.408 -28.206 16 HA2 GLY 67 2HA GLY 67 -7.357 -1.289 -29.818 17 HA3 GLY 67 1HA GLY 67 -8.915 -1.954 -30.291 18 H SER 68 H SER 68 -7.804 -1.466 -27.024 19 HA SER 68 HA SER 68 -9.613 0.787 -26.720 20 HB2 SER 68 2HB SER 68 -9.627 -1.690 -24.975 21 HB3 SER 68 1HB SER 68 -10.499 -0.203 -24.616 22 HG SER 68 HG SER 68 -11.331 -0.624 -26.904 23 H GLY 69 H GLY 69 -8.050 2.256 -26.328 24 HA2 GLY 69 2HA GLY 69 -5.754 1.596 -24.728 25 HA3 GLY 69 1HA GLY 69 -6.082 3.132 -25.505 26 H ARG 70 H ARG 70 -6.907 1.125 -22.736 27 HA ARG 70 HA ARG 70 -6.717 3.403 -21.081 28 HB2 ARG 70 2HB ARG 70 -8.893 3.193 -19.894 29 HB3 ARG 70 1HB ARG 70 -9.117 3.645 -21.564 30 HG2 ARG 70 2HG ARG 70 -9.474 0.833 -20.540 31 HG3 ARG 70 1HG ARG 70 -10.772 2.017 -20.590 32 HD2 ARG 70 2HD ARG 70 -9.184 1.051 -22.954 33 HD3 ARG 70 1HD ARG 70 -10.788 0.479 -22.520 34 HE ARG 70 HE ARG 70 -10.287 3.314 -23.142 35 HH11 ARG 70 1HH1 ARG 70 -12.253 0.408 -23.620 36 HH12 ARG 70 2HH1 ARG 70 -13.152 1.033 -24.919 37 HH21 ARG 70 1HH2 ARG 70 -11.590 4.217 -24.902 38 HH22 ARG 70 2HH2 ARG 70 -12.758 3.235 -25.659 39 H GLY 71 H GLY 71 -5.251 2.726 -19.795 40 HA2 GLY 71 2HA GLY 71 -5.591 0.076 -18.542 41 HA3 GLY 71 1HA GLY 71 -4.016 0.697 -19.035 42 H ARG 72 H ARG 72 -5.938 3.152 -17.943 43 HA ARG 72 HA ARG 72 -4.889 2.944 -15.230 44 HB2 ARG 72 2HB ARG 72 -5.044 5.377 -16.996 45 HB3 ARG 72 1HB ARG 72 -4.765 5.475 -15.270 46 HG2 ARG 72 2HG ARG 72 -2.725 4.064 -15.628 47 HG3 ARG 72 1HG ARG 72 -3.003 4.245 -17.365 48 HD2 ARG 72 2HD ARG 72 -1.407 5.906 -16.612 49 HD3 ARG 72 1HD ARG 72 -2.913 6.680 -17.104 50 HE ARG 72 HE ARG 72 -3.003 6.166 -14.352 51 HH11 ARG 72 1HH1 ARG 72 -1.360 8.302 -16.648 52 HH12 ARG 72 2HH1 ARG 72 -1.091 9.544 -15.521 53 HH21 ARG 72 1HH2 ARG 72 -2.637 7.916 -12.784 54 HH22 ARG 72 2HH2 ARG 72 -1.852 9.322 -13.292 55 H GLY 73 H GLY 73 -6.141 5.046 -14.100 56 HA2 GLY 73 2HA GLY 73 -8.260 5.876 -13.561 57 HA3 GLY 73 1HA GLY 73 -8.980 4.690 -14.659 58 H ALA 74 H ALA 74 -6.718 4.513 -11.944 59 HA ALA 74 HA ALA 74 -8.254 2.238 -11.000 60 HB1 ALA 74 1HB ALA 74 -6.146 1.339 -10.152 61 HB2 ALA 74 2HB ALA 74 -5.285 2.727 -10.821 62 HB3 ALA 74 3HB ALA 74 -6.080 1.581 -11.900 63 H ILE 75 H ILE 75 -8.207 1.998 -8.713 64 HA ILE 75 HA ILE 75 -8.182 4.597 -7.488 65 HB ILE 75 HB ILE 75 -9.541 2.025 -6.584 66 HG12 ILE 75 2HG1 ILE 75 -10.527 2.849 -8.643 67 HG13 ILE 75 1HG1 ILE 75 -11.640 3.074 -7.299 68 HG21 ILE 75 1HG2 ILE 75 -10.829 3.401 -5.034 69 HG22 ILE 75 2HG2 ILE 75 -9.892 4.818 -5.520 70 HG23 ILE 75 3HG2 ILE 75 -9.098 3.479 -4.690 71 HD11 ILE 75 1HD1 ILE 75 -11.695 4.987 -8.753 72 HD12 ILE 75 2HD1 ILE 75 -9.949 5.186 -8.619 73 HD13 ILE 75 3HD1 ILE 75 -10.976 5.445 -7.208 74 H ASP 76 H ASP 76 -7.395 4.656 -5.209 75 HA ASP 76 HA ASP 76 -4.926 3.247 -4.858 76 HB2 ASP 76 2HB ASP 76 -5.036 5.562 -4.175 77 HB3 ASP 76 1HB ASP 76 -6.392 5.228 -3.107 78 H ARG 77 H ARG 77 -4.553 1.580 -3.669 79 HA ARG 77 HA ARG 77 -5.759 0.721 -1.350 80 HB2 ARG 77 2HB ARG 77 -7.711 0.149 -2.900 81 HB3 ARG 77 1HB ARG 77 -6.633 -0.961 -3.735 82 HG2 ARG 77 2HG ARG 77 -6.311 -2.204 -1.637 83 HG3 ARG 77 1HG ARG 77 -7.437 -1.108 -0.840 84 HD2 ARG 77 2HD ARG 77 -9.179 -1.826 -2.473 85 HD3 ARG 77 1HD ARG 77 -8.034 -3.014 -3.091 86 HE ARG 77 HE ARG 77 -8.266 -3.263 -0.301 87 HH11 ARG 77 1HH1 ARG 77 -10.040 -4.057 -3.273 88 HH12 ARG 77 2HH1 ARG 77 -11.014 -5.236 -2.543 89 HH21 ARG 77 1HH2 ARG 77 -9.601 -4.936 0.689 90 HH22 ARG 77 2HH2 ARG 77 -10.735 -5.759 -0.284 91 H GLU 78 H GLU 78 -4.722 -0.642 -4.422 92 HA GLU 78 HA GLU 78 -2.234 -1.505 -3.177 93 HB2 GLU 78 2HB GLU 78 -3.720 -3.461 -3.467 94 HB3 GLU 78 1HB GLU 78 -3.908 -3.032 -5.160 95 HG2 GLU 78 2HG GLU 78 -1.481 -3.368 -5.488 96 HG3 GLU 78 1HG GLU 78 -1.367 -3.911 -3.818 97 H GLN 79 H GLN 79 -0.841 -0.156 -4.136 98 HA GLN 79 HA GLN 79 -1.072 0.001 -7.014 99 HB2 GLN 79 2HB GLN 79 0.154 1.991 -5.127 100 HB3 GLN 79 1HB GLN 79 0.437 2.013 -6.866 101 HG2 GLN 79 2HG GLN 79 -1.933 2.286 -7.294 102 HG3 GLN 79 1HG GLN 79 -2.284 2.207 -5.574 103 HE21 GLN 79 1HE2 GLN 79 -1.832 3.981 -4.312 104 HE22 GLN 79 2HE2 GLN 79 -1.461 5.531 -4.954 105 H SER 80 H SER 80 -0.188 -1.927 -7.246 106 HA SER 80 HA SER 80 2.251 -2.735 -6.120 107 HB2 SER 80 2HB SER 80 1.895 -4.551 -7.945 108 HB3 SER 80 1HB SER 80 0.753 -4.437 -6.596 109 HG SER 80 HG SER 80 -0.352 -4.568 -8.557 110 H ALA 81 H ALA 81 1.314 -1.227 -9.130 111 HA ALA 81 HA ALA 81 3.749 -1.630 -10.509 112 HB1 ALA 81 1HB ALA 81 3.010 0.140 -12.011 113 HB2 ALA 81 2HB ALA 81 1.765 0.622 -10.867 114 HB3 ALA 81 3HB ALA 81 1.671 -0.952 -11.661 115 H ALA 82 H ALA 82 2.556 0.938 -8.427 116 HA ALA 82 HA ALA 82 4.709 2.714 -8.685 117 HB1 ALA 82 1HB ALA 82 2.585 3.357 -7.642 118 HB2 ALA 82 2HB ALA 82 3.940 3.698 -6.569 119 HB3 ALA 82 3HB ALA 82 2.925 2.283 -6.286 120 H ILE 83 H ILE 83 4.150 0.069 -6.442 121 HA ILE 83 HA ILE 83 6.489 0.388 -4.916 122 HB ILE 83 HB ILE 83 4.937 -2.177 -5.443 123 HG12 ILE 83 2HG1 ILE 83 4.663 -0.161 -3.194 124 HG13 ILE 83 1HG1 ILE 83 3.563 -0.301 -4.553 125 HG21 ILE 83 1HG2 ILE 83 6.833 -1.442 -3.191 126 HG22 ILE 83 2HG2 ILE 83 7.157 -2.605 -4.478 127 HG23 ILE 83 3HG2 ILE 83 5.890 -2.929 -3.296 128 HD11 ILE 83 1HD1 ILE 83 2.650 -1.326 -2.563 129 HD12 ILE 83 2HD1 ILE 83 4.054 -2.388 -2.437 130 HD13 ILE 83 3HD1 ILE 83 2.941 -2.546 -3.801 131 H ARG 84 H ARG 84 5.812 -1.445 -7.868 132 HA ARG 84 HA ARG 84 8.376 -2.642 -8.029 133 HB2 ARG 84 2HB ARG 84 6.281 -2.211 -10.168 134 HB3 ARG 84 1HB ARG 84 7.766 -3.118 -10.417 135 HG2 ARG 84 2HG ARG 84 7.109 -4.725 -8.732 136 HG3 ARG 84 1HG ARG 84 5.663 -3.786 -8.374 137 HD2 ARG 84 2HD ARG 84 5.095 -5.682 -9.765 138 HD3 ARG 84 1HD ARG 84 4.855 -4.187 -10.658 139 HE ARG 84 HE ARG 84 7.417 -5.114 -11.250 140 HH11 ARG 84 1HH1 ARG 84 4.063 -6.134 -11.776 141 HH12 ARG 84 2HH1 ARG 84 4.373 -6.976 -13.221 142 HH21 ARG 84 1HH2 ARG 84 7.866 -6.286 -13.219 143 HH22 ARG 84 2HH2 ARG 84 6.607 -7.090 -14.038 144 H GLU 85 H GLU 85 7.061 0.362 -9.279 145 HA GLU 85 HA GLU 85 9.235 1.114 -10.900 146 HB2 GLU 85 2HB GLU 85 7.373 2.894 -9.318 147 HB3 GLU 85 1HB GLU 85 8.446 3.446 -10.592 148 HG2 GLU 85 2HG GLU 85 6.127 1.560 -10.903 149 HG3 GLU 85 1HG GLU 85 6.179 3.254 -11.397 150 H TRP 86 H TRP 86 8.554 1.768 -7.513 151 HA TRP 86 HA TRP 86 10.920 3.207 -6.937 152 HB2 TRP 86 2HB TRP 86 8.982 3.286 -5.477 153 HB3 TRP 86 1HB TRP 86 9.089 1.559 -5.186 154 HD1 TRP 86 HD TRP 86 10.675 4.885 -4.135 155 HE1 TRP 86 1HE TRP 86 12.043 4.488 -1.996 156 HE3 TRP 86 3HE TRP 86 10.395 -0.203 -3.950 157 HZ2 TRP 86 2HZ TRP 86 12.892 2.273 -0.428 158 HZ3 TRP 86 3HZ TRP 86 11.511 -1.385 -2.124 159 HH2 TRP 86 HH TRP 86 12.733 -0.171 -0.386 160 H ALA 87 H ALA 87 10.077 -0.197 -6.748 161 HA ALA 87 HA ALA 87 12.434 -1.174 -5.637 162 HB1 ALA 87 1HB ALA 87 11.744 -3.353 -6.548 163 HB2 ALA 87 2HB ALA 87 10.553 -2.534 -7.563 164 HB3 ALA 87 3HB ALA 87 10.387 -2.498 -5.811 165 H ARG 88 H ARG 88 11.510 -0.746 -9.043 166 HA ARG 88 HA ARG 88 13.973 -1.716 -10.042 167 HB2 ARG 88 2HB ARG 88 11.913 0.013 -11.412 168 HB3 ARG 88 1HB ARG 88 13.318 -0.675 -12.210 169 HG2 ARG 88 2HG ARG 88 12.471 -2.943 -11.553 170 HG3 ARG 88 1HG ARG 88 10.995 -2.152 -10.998 171 HD2 ARG 88 2HD ARG 88 12.117 -2.030 -13.790 172 HD3 ARG 88 1HD ARG 88 10.782 -3.055 -13.285 173 HE ARG 88 HE ARG 88 9.649 -0.871 -12.707 174 HH11 ARG 88 1HH1 ARG 88 12.000 -1.147 -15.352 175 HH12 ARG 88 2HH1 ARG 88 11.321 0.101 -16.276 176 HH21 ARG 88 1HH2 ARG 88 8.685 0.774 -14.001 177 HH22 ARG 88 2HH2 ARG 88 9.374 1.239 -15.487 178 H ARG 89 H ARG 89 12.914 1.475 -9.078 179 HA ARG 89 HA ARG 89 15.060 2.988 -10.085 180 HB2 ARG 89 2HB ARG 89 13.131 4.094 -9.070 181 HB3 ARG 89 1HB ARG 89 13.481 3.339 -7.521 182 HG2 ARG 89 2HG ARG 89 15.621 4.609 -7.442 183 HG3 ARG 89 1HG ARG 89 15.143 5.432 -8.924 184 HD2 ARG 89 2HD ARG 89 13.216 6.374 -7.828 185 HD3 ARG 89 1HD ARG 89 13.557 5.460 -6.360 186 HE ARG 89 HE ARG 89 15.692 7.173 -7.219 187 HH11 ARG 89 1HH1 ARG 89 12.671 7.131 -5.371 188 HH12 ARG 89 2HH1 ARG 89 13.118 8.360 -4.288 189 HH21 ARG 89 1HH2 ARG 89 16.335 8.876 -5.763 190 HH22 ARG 89 2HH2 ARG 89 15.302 9.374 -4.506 191 H ASN 90 H ASN 90 14.655 1.272 -7.046 192 HA ASN 90 HA ASN 90 17.295 1.814 -6.095 193 HB2 ASN 90 2HB ASN 90 15.138 -0.066 -5.232 194 HB3 ASN 90 1HB ASN 90 16.733 -0.174 -4.509 195 HD21 ASN 90 1HD2 ASN 90 13.809 1.657 -4.770 196 HD22 ASN 90 2HD2 ASN 90 14.195 2.764 -3.501 197 H GLY 91 H GLY 91 15.822 -0.763 -7.875 198 HA2 GLY 91 2HA GLY 91 17.100 -2.041 -9.424 199 HA3 GLY 91 1HA GLY 91 18.500 -1.816 -8.380 200 H HIS 92 H HIS 92 15.355 -2.666 -7.152 201 HA HIS 92 HA HIS 92 16.452 -5.108 -6.028 202 HB2 HIS 92 2HB HIS 92 13.591 -4.097 -5.909 203 HB3 HIS 92 1HB HIS 92 14.270 -5.386 -4.938 204 HD1 HIS 92 1HD HIS 92 16.801 -3.930 -3.803 205 HD2 HIS 92 2HD HIS 92 13.005 -2.264 -4.066 206 HE1 HIS 92 1HE HIS 92 16.770 -1.973 -2.221 207 H ASN 93 H ASN 93 15.592 -7.175 -6.539 208 HA ASN 93 HA ASN 93 15.000 -7.392 -9.336 209 HB2 ASN 93 2HB ASN 93 15.387 -9.497 -7.221 210 HB3 ASN 93 1HB ASN 93 15.026 -9.871 -8.895 211 HD21 ASN 93 1HD2 ASN 93 17.395 -8.784 -6.647 212 HD22 ASN 93 2HD2 ASN 93 18.736 -8.825 -7.742 213 H VAL 94 H VAL 94 12.981 -6.234 -9.090 214 HA VAL 94 HA VAL 94 10.754 -8.158 -8.779 215 HB VAL 94 HB VAL 94 10.475 -5.200 -8.102 216 HG11 VAL 94 1HG1 VAL 94 8.751 -7.547 -7.344 217 HG12 VAL 94 2HG1 VAL 94 8.420 -6.376 -8.615 218 HG13 VAL 94 3HG1 VAL 94 8.453 -5.858 -6.923 219 HG21 VAL 94 1HG2 VAL 94 11.004 -7.402 -6.099 220 HG22 VAL 94 2HG2 VAL 94 10.573 -5.736 -5.706 221 HG23 VAL 94 3HG2 VAL 94 12.099 -6.084 -6.516 222 H SER 95 H SER 95 12.585 -6.719 -10.836 223 HA SER 95 HA SER 95 11.234 -4.864 -12.314 224 HB2 SER 95 2HB SER 95 13.262 -6.793 -13.361 225 HB3 SER 95 1HB SER 95 13.065 -5.072 -13.727 226 HG SER 95 HG SER 95 14.403 -4.726 -12.165 227 H THR 96 H THR 96 11.933 -8.193 -13.556 228 HA THR 96 HA THR 96 9.589 -7.913 -15.220 229 HB THR 96 HB THR 96 10.655 -10.049 -16.233 230 HG1 THR 96 1HG THR 96 13.090 -9.589 -15.732 231 HG21 THR 96 1HG2 THR 96 10.654 -7.822 -17.300 232 HG22 THR 96 2HG2 THR 96 12.184 -8.655 -17.567 233 HG23 THR 96 3HG2 THR 96 12.076 -7.374 -16.360 234 H ARG 97 H ARG 97 10.201 -9.110 -12.262 235 HA ARG 97 HA ARG 97 8.395 -11.397 -12.601 236 HB2 ARG 97 2HB ARG 97 10.404 -10.906 -10.391 237 HB3 ARG 97 1HB ARG 97 9.436 -12.367 -10.600 238 HG2 ARG 97 2HG ARG 97 10.582 -12.759 -12.748 239 HG3 ARG 97 1HG ARG 97 11.575 -11.339 -12.448 240 HD2 ARG 97 2HD ARG 97 12.316 -12.466 -10.320 241 HD3 ARG 97 1HD ARG 97 11.509 -13.923 -10.913 242 HE ARG 97 HE ARG 97 13.645 -12.544 -12.376 243 HH11 ARG 97 1HH1 ARG 97 12.201 -15.593 -11.237 244 HH12 ARG 97 2HH1 ARG 97 13.378 -16.562 -11.980 245 HH21 ARG 97 1HH2 ARG 97 15.250 -13.892 -13.371 246 HH22 ARG 97 2HH2 ARG 97 15.150 -15.579 -13.197 247 H GLY 98 H GLY 98 6.419 -11.047 -11.882 248 HA2 GLY 98 2HA GLY 98 5.829 -8.522 -10.657 249 HA3 GLY 98 1HA GLY 98 4.674 -9.692 -11.248 250 H ARG 99 H ARG 99 6.649 -11.330 -9.114 251 HA ARG 99 HA ARG 99 4.647 -10.955 -7.034 252 HB2 ARG 99 2HB ARG 99 5.443 -13.288 -7.628 253 HB3 ARG 99 1HB ARG 99 7.033 -12.853 -7.028 254 HG2 ARG 99 2HG ARG 99 4.577 -12.780 -5.268 255 HG3 ARG 99 1HG ARG 99 5.541 -14.237 -5.482 256 HD2 ARG 99 2HD ARG 99 7.477 -13.153 -4.535 257 HD3 ARG 99 1HD ARG 99 6.647 -11.603 -4.512 258 HE ARG 99 HE ARG 99 5.063 -13.024 -2.949 259 HH11 ARG 99 1HH1 ARG 99 8.597 -13.025 -2.998 260 HH12 ARG 99 2HH1 ARG 99 8.779 -13.175 -1.320 261 HH21 ARG 99 1HH2 ARG 99 5.282 -13.160 -0.630 262 HH22 ARG 99 2HH2 ARG 99 6.828 -13.230 0.072 263 H ILE 100 H ILE 100 4.907 -9.313 -5.702 264 HA ILE 100 HA ILE 100 7.536 -8.144 -5.432 265 HB ILE 100 HB ILE 100 4.928 -7.211 -4.206 266 HG12 ILE 100 2HG1 ILE 100 6.272 -6.266 -6.750 267 HG13 ILE 100 1HG1 ILE 100 4.832 -7.274 -6.690 268 HG21 ILE 100 1HG2 ILE 100 7.553 -5.784 -4.664 269 HG22 ILE 100 2HG2 ILE 100 6.952 -6.373 -3.117 270 HG23 ILE 100 3HG2 ILE 100 6.097 -5.072 -3.955 271 HD11 ILE 100 1HD1 ILE 100 5.076 -4.466 -5.626 272 HD12 ILE 100 2HD1 ILE 100 3.632 -5.471 -5.560 273 HD13 ILE 100 3HD1 ILE 100 4.267 -4.951 -7.119 274 HA PRO 101 HA PRO 101 8.275 -10.229 -1.438 275 HB2 PRO 101 2HB PRO 101 10.193 -7.969 -1.325 276 HB3 PRO 101 1HB PRO 101 10.502 -9.694 -1.059 277 HG2 PRO 101 2HG PRO 101 11.354 -8.576 -3.255 278 HG3 PRO 101 1HG PRO 101 10.590 -10.179 -3.321 279 HD2 PRO 101 2HD PRO 101 9.447 -7.530 -4.078 280 HD3 PRO 101 1HD PRO 101 9.279 -9.116 -4.864 281 H ALA 102 H ALA 102 7.221 -9.846 0.334 282 HA ALA 102 HA ALA 102 5.775 -7.494 0.909 283 HB1 ALA 102 1HB ALA 102 6.669 -9.696 2.790 284 HB2 ALA 102 2HB ALA 102 5.184 -9.695 1.845 285 HB3 ALA 102 3HB ALA 102 5.413 -8.505 3.131 286 H ASP 103 H ASP 103 8.908 -8.660 1.742 287 HA ASP 103 HA ASP 103 9.800 -6.800 3.622 288 HB2 ASP 103 2HB ASP 103 11.296 -8.240 1.419 289 HB3 ASP 103 1HB ASP 103 12.091 -7.282 2.655 290 H VAL 104 H VAL 104 9.760 -6.704 0.081 291 HA VAL 104 HA VAL 104 11.065 -4.178 -0.130 292 HB VAL 104 HB VAL 104 9.502 -5.861 -2.111 293 HG11 VAL 104 1HG1 VAL 104 10.730 -3.147 -2.651 294 HG12 VAL 104 2HG1 VAL 104 9.008 -3.542 -2.678 295 HG13 VAL 104 3HG1 VAL 104 10.092 -4.249 -3.878 296 HG21 VAL 104 1HG2 VAL 104 11.664 -6.009 -3.227 297 HG22 VAL 104 2HG2 VAL 104 11.784 -6.542 -1.546 298 HG23 VAL 104 3HG2 VAL 104 12.368 -4.947 -2.012 299 H ILE 105 H ILE 105 7.730 -5.226 -0.068 300 HA ILE 105 HA ILE 105 6.528 -2.740 -0.575 301 HB ILE 105 HB ILE 105 5.485 -5.056 1.087 302 HG12 ILE 105 2HG1 ILE 105 5.062 -4.318 -1.812 303 HG13 ILE 105 1HG1 ILE 105 6.098 -5.602 -1.233 304 HG21 ILE 105 1HG2 ILE 105 3.980 -2.735 -0.151 305 HG22 ILE 105 2HG2 ILE 105 4.247 -2.992 1.574 306 HG23 ILE 105 3HG2 ILE 105 3.255 -4.127 0.657 307 HD11 ILE 105 1HD1 ILE 105 4.149 -6.781 -0.341 308 HD12 ILE 105 2HD1 ILE 105 3.980 -6.471 -2.068 309 HD13 ILE 105 3HD1 ILE 105 3.108 -5.475 -0.899 310 H ASP 106 H ASP 106 7.503 -4.265 2.466 311 HA ASP 106 HA ASP 106 6.623 -2.188 4.180 312 HB2 ASP 106 2HB ASP 106 7.107 -4.373 5.095 313 HB3 ASP 106 1HB ASP 106 8.762 -4.302 4.511 314 H ALA 107 H ALA 107 9.658 -2.808 2.532 315 HA ALA 107 HA ALA 107 11.131 -0.678 3.634 316 HB1 ALA 107 1HB ALA 107 11.389 -1.995 0.940 317 HB2 ALA 107 2HB ALA 107 12.133 -2.555 2.432 318 HB3 ALA 107 3HB ALA 107 12.635 -1.011 1.724 319 H TYR 108 H TYR 108 9.106 -0.926 0.782 320 HA TYR 108 HA TYR 108 9.440 1.642 -0.280 321 HB2 TYR 108 2HB TYR 108 8.447 -0.085 -1.597 322 HB3 TYR 108 1HB TYR 108 7.160 -0.338 -0.430 323 HD1 TYR 108 1HD TYR 108 8.512 2.074 -2.883 324 HD2 TYR 108 2HD TYR 108 5.123 0.851 -0.651 325 HE1 TYR 108 1HE TYR 108 7.119 3.604 -4.183 326 HE2 TYR 108 2HE TYR 108 3.704 2.386 -1.943 327 HH TYR 108 HH TYR 108 3.951 4.384 -3.229 328 H HIS 109 H HIS 109 7.146 0.397 2.065 329 HA HIS 109 HA HIS 109 5.795 2.888 2.359 330 HB2 HIS 109 2HB HIS 109 5.645 0.266 3.777 331 HB3 HIS 109 1HB HIS 109 4.794 1.640 4.450 332 HD1 HIS 109 1HD HIS 109 2.529 2.183 3.381 333 HD2 HIS 109 2HD HIS 109 4.763 -0.526 1.169 334 HE1 HIS 109 1HE HIS 109 1.021 1.372 1.516 335 H ALA 110 H ALA 110 8.499 1.424 3.916 336 HA ALA 110 HA ALA 110 8.510 3.242 6.134 337 HB1 ALA 110 1HB ALA 110 9.440 0.987 6.336 338 HB2 ALA 110 2HB ALA 110 10.652 2.218 6.695 339 HB3 ALA 110 3HB ALA 110 10.671 1.388 5.140 340 H ALA 111 H ALA 111 10.124 3.027 3.015 341 HA ALA 111 HA ALA 111 11.912 5.184 3.560 342 HB1 ALA 111 1HB ALA 111 12.513 3.404 1.974 343 HB2 ALA 111 2HB ALA 111 12.573 4.994 1.215 344 HB3 ALA 111 3HB ALA 111 11.207 3.921 0.910 345 H ASP 112 H ASP 112 11.215 7.160 3.774 346 HA ASP 112 HA ASP 112 8.914 8.023 2.224 347 HB2 ASP 112 2HB ASP 112 8.781 8.378 4.654 348 HB3 ASP 112 1HB ASP 112 10.224 9.394 4.566 Start of MODEL 9 1 H MET 65 1HT MET 65 21.109 -29.066 -1.188 2 HA MET 65 HA MET 65 21.296 -28.686 -4.103 3 HB2 MET 65 2HB MET 65 19.426 -30.201 -4.313 4 HB3 MET 65 1HB MET 65 20.672 -31.013 -3.384 5 HG2 MET 65 2HG MET 65 18.166 -29.745 -2.280 6 HG3 MET 65 1HG MET 65 18.455 -31.467 -2.504 7 HE1 MET 65 1HE MET 65 17.698 -31.884 -0.022 8 HE2 MET 65 2HE MET 65 17.428 -30.158 0.206 9 HE3 MET 65 3HE MET 65 18.385 -31.063 1.378 10 H SER 66 H SER 66 19.696 -27.409 -5.008 11 HA SER 66 HA SER 66 18.196 -25.824 -3.065 12 HB2 SER 66 2HB SER 66 19.456 -24.857 -5.641 13 HB3 SER 66 1HB SER 66 18.565 -23.874 -4.486 14 HG SER 66 HG SER 66 20.937 -25.321 -3.899 15 H GLY 67 H GLY 67 16.106 -25.155 -3.722 16 HA2 GLY 67 2HA GLY 67 15.061 -26.660 -6.019 17 HA3 GLY 67 1HA GLY 67 14.132 -26.224 -4.587 18 H SER 68 H SER 68 12.625 -25.307 -6.145 19 HA SER 68 HA SER 68 13.461 -22.670 -7.100 20 HB2 SER 68 2HB SER 68 11.669 -23.009 -8.838 21 HB3 SER 68 1HB SER 68 13.039 -24.109 -8.987 22 HG SER 68 HG SER 68 11.813 -25.749 -8.470 23 H GLY 69 H GLY 69 11.445 -21.203 -7.306 24 HA2 GLY 69 2HA GLY 69 9.482 -21.811 -5.221 25 HA3 GLY 69 1HA GLY 69 10.279 -20.242 -5.288 26 H ARG 70 H ARG 70 7.489 -21.639 -5.953 27 HA ARG 70 HA ARG 70 6.959 -19.838 -8.197 28 HB2 ARG 70 2HB ARG 70 5.447 -21.520 -9.175 29 HB3 ARG 70 1HB ARG 70 7.095 -22.111 -9.107 30 HG2 ARG 70 2HG ARG 70 6.517 -23.417 -7.092 31 HG3 ARG 70 1HG ARG 70 4.853 -22.850 -7.233 32 HD2 ARG 70 2HD ARG 70 5.077 -25.074 -8.194 33 HD3 ARG 70 1HD ARG 70 4.698 -23.894 -9.443 34 HE ARG 70 HE ARG 70 7.418 -24.842 -8.923 35 HH11 ARG 70 1HH1 ARG 70 4.785 -24.168 -11.244 36 HH12 ARG 70 2HH1 ARG 70 5.714 -24.565 -12.612 37 HH21 ARG 70 1HH2 ARG 70 8.654 -25.407 -10.844 38 HH22 ARG 70 2HH2 ARG 70 7.952 -25.271 -12.395 39 H GLY 71 H GLY 71 4.678 -19.172 -8.284 40 HA2 GLY 71 2HA GLY 71 2.608 -19.691 -6.725 41 HA3 GLY 71 1HA GLY 71 3.669 -18.887 -5.570 42 H ARG 72 H ARG 72 4.770 -17.151 -7.598 43 HA ARG 72 HA ARG 72 4.548 -15.106 -8.426 44 HB2 ARG 72 2HB ARG 72 1.686 -15.895 -9.038 45 HB3 ARG 72 1HB ARG 72 2.488 -14.459 -9.652 46 HG2 ARG 72 2HG ARG 72 4.087 -15.879 -10.847 47 HG3 ARG 72 1HG ARG 72 3.256 -17.311 -10.227 48 HD2 ARG 72 2HD ARG 72 1.185 -16.520 -11.336 49 HD3 ARG 72 1HD ARG 72 2.108 -15.191 -12.035 50 HE ARG 72 HE ARG 72 3.408 -17.564 -12.667 51 HH11 ARG 72 1HH1 ARG 72 0.488 -15.769 -13.549 52 HH12 ARG 72 2HH1 ARG 72 0.234 -16.623 -14.993 53 HH21 ARG 72 1HH2 ARG 72 3.060 -18.724 -14.687 54 HH22 ARG 72 2HH2 ARG 72 1.718 -18.325 -15.661 55 H GLY 73 H GLY 73 1.226 -15.160 -7.333 56 HA2 GLY 73 2HA GLY 73 0.505 -14.244 -5.245 57 HA3 GLY 73 1HA GLY 73 2.008 -13.330 -5.190 58 H ALA 74 H ALA 74 -1.206 -13.207 -5.875 59 HA ALA 74 HA ALA 74 -0.930 -10.896 -7.605 60 HB1 ALA 74 1HB ALA 74 -3.342 -12.455 -6.688 61 HB2 ALA 74 2HB ALA 74 -2.586 -12.556 -8.283 62 HB3 ALA 74 3HB ALA 74 -3.380 -11.060 -7.770 63 H ILE 75 H ILE 75 -0.599 -9.144 -6.475 64 HA ILE 75 HA ILE 75 -1.695 -9.070 -3.793 65 HB ILE 75 HB ILE 75 0.682 -7.641 -4.904 66 HG12 ILE 75 2HG1 ILE 75 0.692 -10.012 -3.027 67 HG13 ILE 75 1HG1 ILE 75 0.882 -10.158 -4.769 68 HG21 ILE 75 1HG2 ILE 75 1.208 -7.191 -2.499 69 HG22 ILE 75 2HG2 ILE 75 -0.336 -7.944 -2.068 70 HG23 ILE 75 3HG2 ILE 75 -0.307 -6.477 -3.052 71 HD11 ILE 75 1HD1 ILE 75 2.718 -8.660 -2.925 72 HD12 ILE 75 2HD1 ILE 75 2.895 -8.871 -4.680 73 HD13 ILE 75 3HD1 ILE 75 2.992 -10.269 -3.612 74 H ASP 76 H ASP 76 -3.382 -7.801 -3.926 75 HA ASP 76 HA ASP 76 -3.428 -5.587 -5.815 76 HB2 ASP 76 2HB ASP 76 -5.389 -7.019 -5.923 77 HB3 ASP 76 1HB ASP 76 -5.732 -6.725 -4.224 78 H ARG 77 H ARG 77 -2.436 -3.981 -5.056 79 HA ARG 77 HA ARG 77 -3.459 -2.731 -2.623 80 HB2 ARG 77 2HB ARG 77 -0.638 -3.183 -3.454 81 HB3 ARG 77 1HB ARG 77 -0.998 -1.569 -2.868 82 HG2 ARG 77 2HG ARG 77 -0.158 -2.986 -1.068 83 HG3 ARG 77 1HG ARG 77 -1.827 -2.505 -0.771 84 HD2 ARG 77 2HD ARG 77 -2.517 -4.722 -1.735 85 HD3 ARG 77 1HD ARG 77 -0.811 -5.145 -1.742 86 HE ARG 77 HE ARG 77 -0.812 -4.900 0.657 87 HH11 ARG 77 1HH1 ARG 77 -4.010 -5.260 -0.904 88 HH12 ARG 77 2HH1 ARG 77 -4.756 -5.893 0.470 89 HH21 ARG 77 1HH2 ARG 77 -1.884 -5.804 2.570 90 HH22 ARG 77 2HH2 ARG 77 -3.525 -6.220 2.486 91 H GLU 78 H GLU 78 -3.289 -0.346 -2.744 92 HA GLU 78 HA GLU 78 -4.539 0.510 -5.119 93 HB2 GLU 78 2HB GLU 78 -4.621 1.412 -2.642 94 HB3 GLU 78 1HB GLU 78 -3.234 2.359 -3.126 95 HG2 GLU 78 2HG GLU 78 -5.956 2.483 -4.425 96 HG3 GLU 78 1HG GLU 78 -5.372 3.595 -3.200 97 H GLN 79 H GLN 79 -1.362 1.031 -3.704 98 HA GLN 79 HA GLN 79 -0.398 1.771 -6.340 99 HB2 GLN 79 2HB GLN 79 0.628 2.637 -3.635 100 HB3 GLN 79 1HB GLN 79 1.415 3.011 -5.163 101 HG2 GLN 79 2HG GLN 79 -1.378 3.815 -4.403 102 HG3 GLN 79 1HG GLN 79 0.042 4.862 -4.361 103 HE21 GLN 79 1HE2 GLN 79 -2.477 4.901 -5.931 104 HE22 GLN 79 2HE2 GLN 79 -2.002 5.004 -7.580 105 H SER 80 H SER 80 0.166 -0.226 -7.027 106 HA SER 80 HA SER 80 2.223 -1.553 -5.425 107 HB2 SER 80 2HB SER 80 1.575 -3.694 -6.587 108 HB3 SER 80 1HB SER 80 0.314 -3.022 -5.560 109 HG SER 80 HG SER 80 -0.652 -2.157 -7.471 110 H ALA 81 H ALA 81 1.318 -0.436 -8.611 111 HA ALA 81 HA ALA 81 3.657 -1.371 -9.908 112 HB1 ALA 81 1HB ALA 81 2.988 0.130 -11.725 113 HB2 ALA 81 2HB ALA 81 1.798 0.889 -10.675 114 HB3 ALA 81 3HB ALA 81 1.596 -0.791 -11.157 115 H ALA 82 H ALA 82 2.695 1.513 -8.237 116 HA ALA 82 HA ALA 82 4.949 3.112 -8.737 117 HB1 ALA 82 1HB ALA 82 3.231 3.080 -6.256 118 HB2 ALA 82 2HB ALA 82 2.869 3.968 -7.735 119 HB3 ALA 82 3HB ALA 82 4.288 4.395 -6.773 120 H ILE 83 H ILE 83 4.425 0.493 -6.477 121 HA ILE 83 HA ILE 83 6.783 0.918 -4.941 122 HB ILE 83 HB ILE 83 5.209 -1.651 -5.375 123 HG12 ILE 83 2HG1 ILE 83 5.076 0.389 -3.142 124 HG13 ILE 83 1HG1 ILE 83 3.853 0.122 -4.377 125 HG21 ILE 83 1HG2 ILE 83 7.470 -2.117 -4.581 126 HG22 ILE 83 2HG2 ILE 83 6.290 -2.449 -3.309 127 HG23 ILE 83 3HG2 ILE 83 7.256 -0.975 -3.252 128 HD11 ILE 83 1HD1 ILE 83 4.682 -1.837 -2.251 129 HD12 ILE 83 2HD1 ILE 83 3.451 -2.122 -3.480 130 HD13 ILE 83 3HD1 ILE 83 3.206 -0.872 -2.258 131 H ARG 84 H ARG 84 5.955 -1.084 -7.718 132 HA ARG 84 HA ARG 84 8.441 -2.321 -8.142 133 HB2 ARG 84 2HB ARG 84 6.284 -1.528 -10.096 134 HB3 ARG 84 1HB ARG 84 7.714 -2.422 -10.583 135 HG2 ARG 84 2HG ARG 84 7.066 -4.254 -9.114 136 HG3 ARG 84 1HG ARG 84 5.654 -3.335 -8.581 137 HD2 ARG 84 2HD ARG 84 4.688 -3.390 -10.761 138 HD3 ARG 84 1HD ARG 84 6.165 -4.036 -11.467 139 HE ARG 84 HE ARG 84 5.721 -6.070 -10.137 140 HH11 ARG 84 1HH1 ARG 84 2.922 -3.956 -10.865 141 HH12 ARG 84 2HH1 ARG 84 1.853 -5.240 -10.998 142 HH21 ARG 84 1HH2 ARG 84 4.184 -7.811 -10.385 143 HH22 ARG 84 2HH2 ARG 84 2.553 -7.473 -10.754 144 H GLU 85 H GLU 85 7.203 0.770 -9.186 145 HA GLU 85 HA GLU 85 9.329 1.634 -10.808 146 HB2 GLU 85 2HB GLU 85 7.411 3.202 -9.089 147 HB3 GLU 85 1HB GLU 85 8.549 3.956 -10.196 148 HG2 GLU 85 2HG GLU 85 6.333 2.071 -10.933 149 HG3 GLU 85 1HG GLU 85 6.312 3.820 -11.130 150 H TRP 86 H TRP 86 8.635 2.424 -7.447 151 HA TRP 86 HA TRP 86 10.930 3.816 -6.795 152 HB2 TRP 86 2HB TRP 86 8.983 3.793 -5.383 153 HB3 TRP 86 1HB TRP 86 9.123 2.063 -5.134 154 HD1 TRP 86 HD TRP 86 10.578 5.397 -3.967 155 HE1 TRP 86 1HE TRP 86 11.892 4.998 -1.798 156 HE3 TRP 86 3HE TRP 86 10.431 0.304 -3.883 157 HZ2 TRP 86 2HZ TRP 86 12.749 2.769 -0.240 158 HZ3 TRP 86 3HZ TRP 86 11.512 -0.881 -2.047 159 HH2 TRP 86 HH TRP 86 12.650 0.330 -0.251 160 H ALA 87 H ALA 87 10.293 0.367 -6.640 161 HA ALA 87 HA ALA 87 12.681 -0.474 -5.482 162 HB1 ALA 87 1HB ALA 87 12.115 -2.680 -6.456 163 HB2 ALA 87 2HB ALA 87 10.884 -1.887 -7.449 164 HB3 ALA 87 3HB ALA 87 10.725 -1.898 -5.699 165 H ARG 88 H ARG 88 11.813 -0.183 -8.936 166 HA ARG 88 HA ARG 88 14.416 -0.933 -9.798 167 HB2 ARG 88 2HB ARG 88 12.094 0.332 -11.235 168 HB3 ARG 88 1HB ARG 88 13.609 -0.045 -12.041 169 HG2 ARG 88 2HG ARG 88 12.192 -2.192 -10.533 170 HG3 ARG 88 1HG ARG 88 11.587 -1.715 -12.118 171 HD2 ARG 88 2HD ARG 88 13.113 -3.656 -12.235 172 HD3 ARG 88 1HD ARG 88 13.703 -2.285 -13.147 173 HE ARG 88 HE ARG 88 15.165 -1.885 -11.099 174 HH11 ARG 88 1HH1 ARG 88 14.202 -5.160 -12.073 175 HH12 ARG 88 2HH1 ARG 88 15.672 -5.878 -11.579 176 HH21 ARG 88 1HH2 ARG 88 17.155 -2.895 -10.452 177 HH22 ARG 88 2HH2 ARG 88 17.396 -4.567 -10.642 178 H ARG 89 H ARG 89 12.984 2.087 -8.900 179 HA ARG 89 HA ARG 89 14.955 3.799 -10.017 180 HB2 ARG 89 2HB ARG 89 13.268 4.203 -7.538 181 HB3 ARG 89 1HB ARG 89 14.256 5.447 -8.280 182 HG2 ARG 89 2HG ARG 89 12.881 5.298 -10.312 183 HG3 ARG 89 1HG ARG 89 11.880 4.076 -9.518 184 HD2 ARG 89 2HD ARG 89 11.388 5.727 -7.729 185 HD3 ARG 89 1HD ARG 89 12.292 6.922 -8.653 186 HE ARG 89 HE ARG 89 10.104 5.607 -10.006 187 HH11 ARG 89 1HH1 ARG 89 11.295 8.540 -8.393 188 HH12 ARG 89 2HH1 ARG 89 9.961 9.491 -8.857 189 HH21 ARG 89 1HH2 ARG 89 8.237 6.955 -10.593 190 HH22 ARG 89 2HH2 ARG 89 8.199 8.575 -10.085 191 H ASN 90 H ASN 90 14.658 2.193 -6.909 192 HA ASN 90 HA ASN 90 17.173 3.156 -5.950 193 HB2 ASN 90 2HB ASN 90 15.204 1.145 -4.978 194 HB3 ASN 90 1HB ASN 90 16.779 1.165 -4.227 195 HD21 ASN 90 1HD2 ASN 90 13.739 2.655 -4.512 196 HD22 ASN 90 2HD2 ASN 90 13.986 3.917 -3.368 197 H GLY 91 H GLY 91 16.040 0.131 -7.268 198 HA2 GLY 91 2HA GLY 91 17.610 -0.928 -8.861 199 HA3 GLY 91 1HA GLY 91 18.857 -0.642 -7.651 200 H HIS 92 H HIS 92 15.587 -1.715 -6.959 201 HA HIS 92 HA HIS 92 16.690 -4.180 -5.820 202 HB2 HIS 92 2HB HIS 92 13.842 -3.169 -5.570 203 HB3 HIS 92 1HB HIS 92 14.627 -4.388 -4.590 204 HD1 HIS 92 1HD HIS 92 17.120 -2.737 -3.606 205 HD2 HIS 92 2HD HIS 92 13.227 -1.309 -3.791 206 HE1 HIS 92 1HE HIS 92 16.986 -0.729 -2.055 207 H ASN 93 H ASN 93 15.901 -6.150 -6.571 208 HA ASN 93 HA ASN 93 14.753 -5.942 -9.229 209 HB2 ASN 93 2HB ASN 93 16.224 -8.176 -7.869 210 HB3 ASN 93 1HB ASN 93 15.342 -8.423 -9.374 211 HD21 ASN 93 1HD2 ASN 93 18.110 -6.929 -7.888 212 HD22 ASN 93 2HD2 ASN 93 18.879 -6.482 -9.367 213 H VAL 94 H VAL 94 12.715 -6.070 -9.479 214 HA VAL 94 HA VAL 94 11.052 -7.600 -7.649 215 HB VAL 94 HB VAL 94 10.257 -5.992 -10.115 216 HG11 VAL 94 1HG1 VAL 94 8.012 -6.002 -9.193 217 HG12 VAL 94 2HG1 VAL 94 8.571 -6.938 -7.810 218 HG13 VAL 94 3HG1 VAL 94 8.598 -7.651 -9.423 219 HG21 VAL 94 1HG2 VAL 94 11.327 -4.532 -8.486 220 HG22 VAL 94 2HG2 VAL 94 10.249 -5.127 -7.224 221 HG23 VAL 94 3HG2 VAL 94 9.596 -4.204 -8.578 222 H SER 95 H SER 95 9.895 -9.469 -8.378 223 HA SER 95 HA SER 95 11.271 -11.028 -10.256 224 HB2 SER 95 2HB SER 95 8.535 -11.475 -9.108 225 HB3 SER 95 1HB SER 95 9.667 -12.702 -9.680 226 HG SER 95 HG SER 95 11.118 -11.759 -8.013 227 H THR 96 H THR 96 11.124 -10.648 -12.440 228 HA THR 96 HA THR 96 9.009 -9.252 -13.661 229 HB THR 96 HB THR 96 10.201 -10.061 -15.779 230 HG1 THR 96 1HG THR 96 12.409 -10.816 -15.147 231 HG21 THR 96 1HG2 THR 96 12.134 -8.578 -15.394 232 HG22 THR 96 2HG2 THR 96 11.822 -8.627 -13.660 233 HG23 THR 96 3HG2 THR 96 10.655 -7.872 -14.742 234 H ARG 97 H ARG 97 9.609 -12.521 -12.940 235 HA ARG 97 HA ARG 97 7.798 -13.782 -14.743 236 HB2 ARG 97 2HB ARG 97 8.743 -14.720 -12.027 237 HB3 ARG 97 1HB ARG 97 7.998 -15.723 -13.261 238 HG2 ARG 97 2HG ARG 97 9.878 -15.367 -14.731 239 HG3 ARG 97 1HG ARG 97 10.621 -14.279 -13.563 240 HD2 ARG 97 2HD ARG 97 10.700 -16.164 -11.947 241 HD3 ARG 97 1HD ARG 97 10.070 -17.222 -13.209 242 HE ARG 97 HE ARG 97 12.437 -15.746 -13.916 243 HH11 ARG 97 1HH1 ARG 97 11.239 -18.800 -12.549 244 HH12 ARG 97 2HH1 ARG 97 12.676 -19.650 -12.883 245 HH21 ARG 97 1HH2 ARG 97 14.383 -16.947 -14.355 246 HH22 ARG 97 2HH2 ARG 97 14.455 -18.608 -13.950 247 H GLY 98 H GLY 98 7.346 -11.837 -12.010 248 HA2 GLY 98 2HA GLY 98 5.125 -11.041 -11.555 249 HA3 GLY 98 1HA GLY 98 4.543 -12.680 -11.824 250 H ARG 99 H ARG 99 6.023 -10.488 -9.613 251 HA ARG 99 HA ARG 99 4.906 -11.508 -7.314 252 HB2 ARG 99 2HB ARG 99 6.551 -13.434 -7.598 253 HB3 ARG 99 1HB ARG 99 7.855 -12.264 -7.461 254 HG2 ARG 99 2HG ARG 99 6.841 -11.627 -5.218 255 HG3 ARG 99 1HG ARG 99 5.884 -13.099 -5.359 256 HD2 ARG 99 2HD ARG 99 7.824 -13.598 -4.058 257 HD3 ARG 99 1HD ARG 99 8.020 -14.363 -5.636 258 HE ARG 99 HE ARG 99 9.439 -12.413 -6.229 259 HH11 ARG 99 1HH1 ARG 99 9.143 -13.412 -2.804 260 HH12 ARG 99 2HH1 ARG 99 10.594 -12.675 -2.348 261 HH21 ARG 99 1HH2 ARG 99 11.459 -11.406 -5.512 262 HH22 ARG 99 2HH2 ARG 99 11.922 -11.493 -3.891 263 H ILE 100 H ILE 100 4.909 -9.777 -6.028 264 HA ILE 100 HA ILE 100 7.053 -7.813 -6.388 265 HB ILE 100 HB ILE 100 4.391 -7.505 -4.953 266 HG12 ILE 100 2HG1 ILE 100 5.222 -6.406 -7.657 267 HG13 ILE 100 1HG1 ILE 100 4.169 -7.795 -7.428 268 HG21 ILE 100 1HG2 ILE 100 4.934 -5.102 -4.938 269 HG22 ILE 100 2HG2 ILE 100 6.495 -5.462 -5.688 270 HG23 ILE 100 3HG2 ILE 100 6.133 -6.068 -4.072 271 HD11 ILE 100 1HD1 ILE 100 2.909 -5.788 -7.941 272 HD12 ILE 100 2HD1 ILE 100 3.594 -4.982 -6.524 273 HD13 ILE 100 3HD1 ILE 100 2.534 -6.381 -6.324 274 HA PRO 101 HA PRO 101 8.571 -9.682 -2.530 275 HB2 PRO 101 2HB PRO 101 10.292 -7.285 -2.525 276 HB3 PRO 101 1HB PRO 101 10.760 -8.995 -2.475 277 HG2 PRO 101 2HG PRO 101 11.170 -7.562 -4.660 278 HG3 PRO 101 1HG PRO 101 10.662 -9.260 -4.746 279 HD2 PRO 101 2HD PRO 101 9.047 -6.797 -5.185 280 HD3 PRO 101 1HD PRO 101 8.997 -8.361 -6.028 281 H ALA 102 H ALA 102 7.499 -9.501 -0.789 282 HA ALA 102 HA ALA 102 6.037 -7.251 0.059 283 HB1 ALA 102 1HB ALA 102 5.702 -8.497 2.138 284 HB2 ALA 102 2HB ALA 102 6.945 -9.651 1.652 285 HB3 ALA 102 3HB ALA 102 5.444 -9.523 0.730 286 H ASP 103 H ASP 103 9.203 -8.446 0.740 287 HA ASP 103 HA ASP 103 9.987 -6.752 2.826 288 HB2 ASP 103 2HB ASP 103 11.604 -7.936 0.557 289 HB3 ASP 103 1HB ASP 103 12.320 -7.047 1.895 290 H VAL 104 H VAL 104 9.981 -6.317 -0.665 291 HA VAL 104 HA VAL 104 11.123 -3.715 -0.623 292 HB VAL 104 HB VAL 104 9.625 -5.270 -2.752 293 HG11 VAL 104 1HG1 VAL 104 10.085 -3.466 -4.346 294 HG12 VAL 104 2HG1 VAL 104 10.670 -2.444 -3.025 295 HG13 VAL 104 3HG1 VAL 104 8.979 -2.965 -3.068 296 HG21 VAL 104 1HG2 VAL 104 11.941 -5.884 -2.301 297 HG22 VAL 104 2HG2 VAL 104 12.442 -4.212 -2.576 298 HG23 VAL 104 3HG2 VAL 104 11.778 -5.162 -3.904 299 H ILE 105 H ILE 105 7.836 -4.929 -0.638 300 HA ILE 105 HA ILE 105 6.492 -2.481 -0.859 301 HB ILE 105 HB ILE 105 5.619 -5.007 0.584 302 HG12 ILE 105 2HG1 ILE 105 5.042 -3.998 -2.204 303 HG13 ILE 105 1HG1 ILE 105 6.159 -5.281 -1.810 304 HG21 ILE 105 1HG2 ILE 105 3.944 -2.657 -0.323 305 HG22 ILE 105 2HG2 ILE 105 4.289 -3.103 1.350 306 HG23 ILE 105 3HG2 ILE 105 3.317 -4.168 0.336 307 HD11 ILE 105 1HD1 ILE 105 3.171 -5.329 -1.366 308 HD12 ILE 105 2HD1 ILE 105 4.276 -6.633 -0.944 309 HD13 ILE 105 3HD1 ILE 105 4.047 -6.183 -2.634 310 H ASP 106 H ASP 106 7.548 -4.239 2.035 311 HA ASP 106 HA ASP 106 6.595 -2.318 3.900 312 HB2 ASP 106 2HB ASP 106 7.096 -4.546 4.692 313 HB3 ASP 106 1HB ASP 106 8.763 -4.412 4.148 314 H ALA 107 H ALA 107 9.732 -2.812 2.376 315 HA ALA 107 HA ALA 107 11.094 -0.710 3.590 316 HB1 ALA 107 1HB ALA 107 12.160 -2.435 2.230 317 HB2 ALA 107 2HB ALA 107 12.604 -0.819 1.658 318 HB3 ALA 107 3HB ALA 107 11.388 -1.776 0.791 319 H TYR 108 H TYR 108 9.072 -0.742 0.698 320 HA TYR 108 HA TYR 108 9.368 1.927 -0.093 321 HB2 TYR 108 2HB TYR 108 8.397 0.308 -1.561 322 HB3 TYR 108 1HB TYR 108 7.075 -0.018 -0.453 323 HD1 TYR 108 1HD TYR 108 8.502 2.452 -2.774 324 HD2 TYR 108 2HD TYR 108 5.088 1.357 -0.503 325 HE1 TYR 108 1HE TYR 108 7.181 4.121 -3.977 326 HE2 TYR 108 2HE TYR 108 3.745 3.039 -1.705 327 HH TYR 108 HH TYR 108 4.979 4.668 -4.511 328 H HIS 109 H HIS 109 7.095 0.423 2.125 329 HA HIS 109 HA HIS 109 5.711 2.866 2.644 330 HB2 HIS 109 2HB HIS 109 5.583 0.129 3.835 331 HB3 HIS 109 1HB HIS 109 4.737 1.441 4.625 332 HD1 HIS 109 1HD HIS 109 2.560 2.289 3.451 333 HD2 HIS 109 2HD HIS 109 4.558 -0.678 1.355 334 HE1 HIS 109 1HE HIS 109 0.947 1.467 1.695 335 H ALA 110 H ALA 110 8.429 1.287 4.077 336 HA ALA 110 HA ALA 110 8.360 2.848 6.506 337 HB1 ALA 110 1HB ALA 110 10.541 1.072 5.430 338 HB2 ALA 110 2HB ALA 110 9.230 0.552 6.483 339 HB3 ALA 110 3HB ALA 110 10.422 1.711 7.069 340 H ALA 111 H ALA 111 10.106 2.930 3.466 341 HA ALA 111 HA ALA 111 11.824 5.045 4.420 342 HB1 ALA 111 1HB ALA 111 12.891 4.908 2.236 343 HB2 ALA 111 2HB ALA 111 11.638 3.800 1.679 344 HB3 ALA 111 3HB ALA 111 12.745 3.305 2.958 345 H ASP 112 H ASP 112 11.778 7.110 3.776 346 HA ASP 112 HA ASP 112 9.867 8.029 1.840 347 HB2 ASP 112 2HB ASP 112 8.487 8.135 3.852 348 HB3 ASP 112 1HB ASP 112 9.781 8.938 4.732 Start of MODEL 10 1 H MET 65 1HT MET 65 13.606 -6.578 25.235 2 HA MET 65 HA MET 65 12.301 -8.353 24.234 3 HB2 MET 65 2HB MET 65 10.615 -6.737 26.181 4 HB3 MET 65 1HB MET 65 10.456 -8.449 25.854 5 HG2 MET 65 2HG MET 65 12.634 -8.861 26.862 6 HG3 MET 65 1HG MET 65 12.842 -7.135 27.147 7 HE1 MET 65 1HE MET 65 12.297 -8.398 30.783 8 HE2 MET 65 2HE MET 65 13.305 -7.435 29.704 9 HE3 MET 65 3HE MET 65 13.212 -9.184 29.496 10 H SER 66 H SER 66 11.637 -8.222 22.171 11 HA SER 66 HA SER 66 10.255 -8.088 20.439 12 HB2 SER 66 2HB SER 66 8.196 -7.045 22.399 13 HB3 SER 66 1HB SER 66 7.855 -7.551 20.746 14 HG SER 66 HG SER 66 8.037 -9.556 21.288 15 H GLY 67 H GLY 67 11.286 -6.666 19.193 16 HA2 GLY 67 2HA GLY 67 10.801 -3.811 19.633 17 HA3 GLY 67 1HA GLY 67 12.081 -4.504 18.634 18 H SER 68 H SER 68 11.745 -4.539 16.531 19 HA SER 68 HA SER 68 9.129 -3.822 15.526 20 HB2 SER 68 2HB SER 68 11.754 -4.189 14.062 21 HB3 SER 68 1HB SER 68 10.294 -3.425 13.427 22 HG SER 68 HG SER 68 11.441 -2.471 15.809 23 H GLY 69 H GLY 69 7.773 -5.474 15.212 24 HA2 GLY 69 2HA GLY 69 8.396 -7.661 13.512 25 HA3 GLY 69 1HA GLY 69 8.467 -8.180 15.189 26 H ARG 70 H ARG 70 6.329 -5.924 13.553 27 HA ARG 70 HA ARG 70 4.085 -7.703 14.156 28 HB2 ARG 70 2HB ARG 70 4.223 -4.731 14.661 29 HB3 ARG 70 1HB ARG 70 2.692 -5.532 14.392 30 HG2 ARG 70 2HG ARG 70 2.937 -5.306 16.718 31 HG3 ARG 70 1HG ARG 70 3.245 -7.000 16.364 32 HD2 ARG 70 2HD ARG 70 5.668 -6.556 16.508 33 HD3 ARG 70 1HD ARG 70 5.304 -4.869 16.892 34 HE ARG 70 HE ARG 70 4.092 -6.857 18.581 35 HH11 ARG 70 1HH1 ARG 70 6.849 -4.636 18.177 36 HH12 ARG 70 2HH1 ARG 70 7.155 -4.530 19.827 37 HH21 ARG 70 1HH2 ARG 70 4.589 -6.696 20.879 38 HH22 ARG 70 2HH2 ARG 70 5.861 -5.689 21.377 39 H GLY 71 H GLY 71 5.617 -7.442 11.781 40 HA2 GLY 71 2HA GLY 71 3.969 -5.908 9.943 41 HA3 GLY 71 1HA GLY 71 5.440 -6.794 9.548 42 H ARG 72 H ARG 72 2.071 -7.019 10.134 43 HA ARG 72 HA ARG 72 2.157 -9.825 9.362 44 HB2 ARG 72 2HB ARG 72 -0.018 -8.271 10.758 45 HB3 ARG 72 1HB ARG 72 -0.123 -9.968 10.334 46 HG2 ARG 72 2HG ARG 72 1.725 -10.484 11.809 47 HG3 ARG 72 1HG ARG 72 1.934 -8.770 12.180 48 HD2 ARG 72 2HD ARG 72 -0.536 -10.395 12.760 49 HD3 ARG 72 1HD ARG 72 0.704 -9.970 13.942 50 HE ARG 72 HE ARG 72 -0.010 -7.578 12.995 51 HH11 ARG 72 1HH1 ARG 72 -2.018 -10.261 14.115 52 HH12 ARG 72 2HH1 ARG 72 -3.243 -9.277 14.754 53 HH21 ARG 72 1HH2 ARG 72 -1.701 -6.216 13.857 54 HH22 ARG 72 2HH2 ARG 72 -3.086 -6.931 14.554 55 H GLY 73 H GLY 73 1.342 -6.762 8.213 56 HA2 GLY 73 2HA GLY 73 -0.827 -7.675 6.511 57 HA3 GLY 73 1HA GLY 73 -0.274 -6.019 6.694 58 H ALA 74 H ALA 74 0.945 -9.141 5.473 59 HA ALA 74 HA ALA 74 2.179 -7.661 3.237 60 HB1 ALA 74 1HB ALA 74 2.654 -10.534 4.031 61 HB2 ALA 74 2HB ALA 74 3.674 -9.181 4.532 62 HB3 ALA 74 3HB ALA 74 3.550 -9.612 2.826 63 H ILE 75 H ILE 75 -0.489 -8.076 3.535 64 HA ILE 75 HA ILE 75 -1.410 -9.967 1.611 65 HB ILE 75 HB ILE 75 -2.759 -7.481 2.720 66 HG12 ILE 75 2HG1 ILE 75 -2.110 -8.849 4.578 67 HG13 ILE 75 1HG1 ILE 75 -3.850 -9.017 4.331 68 HG21 ILE 75 1HG2 ILE 75 -4.853 -8.607 2.181 69 HG22 ILE 75 2HG2 ILE 75 -3.911 -9.955 1.503 70 HG23 ILE 75 3HG2 ILE 75 -3.822 -8.349 0.761 71 HD11 ILE 75 1HD1 ILE 75 -3.452 -11.185 3.225 72 HD12 ILE 75 2HD1 ILE 75 -2.847 -11.150 4.883 73 HD13 ILE 75 3HD1 ILE 75 -1.722 -10.983 3.531 74 H ASP 76 H ASP 76 -2.372 -9.252 -0.457 75 HA ASP 76 HA ASP 76 -0.547 -7.772 -2.007 76 HB2 ASP 76 2HB ASP 76 -2.239 -9.533 -2.822 77 HB3 ASP 76 1HB ASP 76 -3.422 -8.230 -2.796 78 H ARG 77 H ARG 77 -0.507 -5.667 -2.671 79 HA ARG 77 HA ARG 77 -2.433 -4.029 -1.225 80 HB2 ARG 77 2HB ARG 77 0.463 -3.488 -1.705 81 HB3 ARG 77 1HB ARG 77 -0.665 -2.244 -1.164 82 HG2 ARG 77 2HG ARG 77 -1.270 -3.604 0.714 83 HG3 ARG 77 1HG ARG 77 -0.098 -4.835 0.235 84 HD2 ARG 77 2HD ARG 77 1.688 -3.144 0.504 85 HD3 ARG 77 1HD ARG 77 0.469 -1.986 1.049 86 HE ARG 77 HE ARG 77 0.457 -4.452 2.485 87 HH11 ARG 77 1HH1 ARG 77 1.973 -1.258 2.359 88 HH12 ARG 77 2HH1 ARG 77 2.341 -1.236 4.028 89 HH21 ARG 77 1HH2 ARG 77 0.970 -4.361 4.779 90 HH22 ARG 77 2HH2 ARG 77 1.763 -2.967 5.403 91 H GLU 78 H GLU 78 -3.102 -2.146 -1.889 92 HA GLU 78 HA GLU 78 -4.133 -1.819 -4.384 93 HB2 GLU 78 2HB GLU 78 -4.701 -0.640 -2.264 94 HB3 GLU 78 1HB GLU 78 -3.257 0.314 -2.457 95 HG2 GLU 78 2HG GLU 78 -5.243 1.545 -3.176 96 HG3 GLU 78 1HG GLU 78 -4.118 1.282 -4.510 97 H GLN 79 H GLN 79 -1.380 -0.012 -3.056 98 HA GLN 79 HA GLN 79 -0.461 0.634 -5.718 99 HB2 GLN 79 2HB GLN 79 0.702 1.278 -2.996 100 HB3 GLN 79 1HB GLN 79 1.360 1.833 -4.523 101 HG2 GLN 79 2HG GLN 79 -0.607 3.148 -4.943 102 HG3 GLN 79 1HG GLN 79 -1.381 2.523 -3.488 103 HE21 GLN 79 1HE2 GLN 79 -0.726 5.265 -4.204 104 HE22 GLN 79 2HE2 GLN 79 0.281 5.865 -2.941 105 H SER 80 H SER 80 0.405 -1.079 -6.667 106 HA SER 80 HA SER 80 2.613 -2.359 -5.267 107 HB2 SER 80 2HB SER 80 1.816 -4.389 -6.838 108 HB3 SER 80 1HB SER 80 1.262 -4.204 -5.179 109 HG SER 80 HG SER 80 -0.637 -3.507 -5.864 110 H ALA 81 H ALA 81 1.293 -1.173 -8.280 111 HA ALA 81 HA ALA 81 3.485 -1.995 -9.878 112 HB1 ALA 81 1HB ALA 81 1.324 -1.389 -10.860 113 HB2 ALA 81 2HB ALA 81 2.624 -0.402 -11.532 114 HB3 ALA 81 3HB ALA 81 1.538 0.276 -10.318 115 H ALA 82 H ALA 82 2.688 0.853 -8.044 116 HA ALA 82 HA ALA 82 4.874 2.455 -8.754 117 HB1 ALA 82 1HB ALA 82 3.304 2.418 -6.176 118 HB2 ALA 82 2HB ALA 82 2.877 3.321 -7.628 119 HB3 ALA 82 3HB ALA 82 4.342 3.733 -6.733 120 H ILE 83 H ILE 83 4.489 -0.151 -6.486 121 HA ILE 83 HA ILE 83 6.901 0.240 -5.038 122 HB ILE 83 HB ILE 83 5.327 -2.334 -5.453 123 HG12 ILE 83 2HG1 ILE 83 5.232 -0.280 -3.240 124 HG13 ILE 83 1HG1 ILE 83 3.952 -0.645 -4.388 125 HG21 ILE 83 1HG2 ILE 83 6.455 -3.148 -3.432 126 HG22 ILE 83 2HG2 ILE 83 7.427 -1.681 -3.387 127 HG23 ILE 83 3HG2 ILE 83 7.604 -2.809 -4.731 128 HD11 ILE 83 1HD1 ILE 83 5.003 -2.463 -2.234 129 HD12 ILE 83 2HD1 ILE 83 3.761 -2.898 -3.408 130 HD13 ILE 83 3HD1 ILE 83 3.455 -1.615 -2.233 131 H ARG 84 H ARG 84 6.019 -1.714 -7.838 132 HA ARG 84 HA ARG 84 8.455 -3.009 -8.352 133 HB2 ARG 84 2HB ARG 84 6.366 -1.998 -10.284 134 HB3 ARG 84 1HB ARG 84 7.675 -3.079 -10.726 135 HG2 ARG 84 2HG ARG 84 6.782 -4.832 -9.409 136 HG3 ARG 84 1HG ARG 84 5.627 -3.747 -8.633 137 HD2 ARG 84 2HD ARG 84 4.552 -5.127 -10.343 138 HD3 ARG 84 1HD ARG 84 4.471 -3.419 -10.749 139 HE ARG 84 HE ARG 84 6.317 -5.352 -11.951 140 HH11 ARG 84 1HH1 ARG 84 4.421 -2.345 -12.219 141 HH12 ARG 84 2HH1 ARG 84 4.578 -2.238 -13.911 142 HH21 ARG 84 1HH2 ARG 84 6.457 -5.181 -14.301 143 HH22 ARG 84 2HH2 ARG 84 5.759 -3.854 -15.118 144 H GLU 85 H GLU 85 7.223 0.075 -9.492 145 HA GLU 85 HA GLU 85 9.467 0.717 -11.095 146 HB2 GLU 85 2HB GLU 85 7.397 2.557 -9.897 147 HB3 GLU 85 1HB GLU 85 8.486 2.957 -11.223 148 HG2 GLU 85 2HG GLU 85 6.374 0.811 -11.270 149 HG3 GLU 85 1HG GLU 85 6.247 2.390 -12.033 150 H TRP 86 H TRP 86 8.569 1.574 -7.816 151 HA TRP 86 HA TRP 86 10.725 3.245 -7.141 152 HB2 TRP 86 2HB TRP 86 8.730 3.038 -5.769 153 HB3 TRP 86 1HB TRP 86 9.050 1.334 -5.505 154 HD1 TRP 86 HD TRP 86 10.113 4.801 -4.356 155 HE1 TRP 86 1HE TRP 86 11.368 4.593 -2.131 156 HE3 TRP 86 3HE TRP 86 10.487 -0.258 -4.172 157 HZ2 TRP 86 2HZ TRP 86 12.408 2.492 -0.495 158 HZ3 TRP 86 3HZ TRP 86 11.626 -1.301 -2.273 159 HH2 TRP 86 HH TRP 86 12.564 0.049 -0.463 160 H ALA 87 H ALA 87 10.264 -0.232 -6.951 161 HA ALA 87 HA ALA 87 12.653 -0.930 -5.745 162 HB1 ALA 87 1HB ALA 87 10.970 -2.492 -7.680 163 HB2 ALA 87 2HB ALA 87 10.764 -2.439 -5.933 164 HB3 ALA 87 3HB ALA 87 12.212 -3.178 -6.628 165 H ARG 88 H ARG 88 11.819 -0.564 -9.165 166 HA ARG 88 HA ARG 88 14.379 -1.318 -10.159 167 HB2 ARG 88 2HB ARG 88 12.350 0.511 -11.431 168 HB3 ARG 88 1HB ARG 88 13.716 -0.230 -12.240 169 HG2 ARG 88 2HG ARG 88 12.685 -2.447 -11.719 170 HG3 ARG 88 1HG ARG 88 11.263 -1.568 -11.157 171 HD2 ARG 88 2HD ARG 88 12.466 -1.365 -13.917 172 HD3 ARG 88 1HD ARG 88 11.020 -2.275 -13.497 173 HE ARG 88 HE ARG 88 9.840 -0.268 -13.187 174 HH11 ARG 88 1HH1 ARG 88 13.227 0.494 -14.173 175 HH12 ARG 88 2HH1 ARG 88 12.785 1.988 -14.833 176 HH21 ARG 88 1HH2 ARG 88 9.341 1.820 -14.151 177 HH22 ARG 88 2HH2 ARG 88 10.587 2.760 -14.810 178 H ARG 89 H ARG 89 12.989 1.655 -9.005 179 HA ARG 89 HA ARG 89 14.829 3.507 -10.092 180 HB2 ARG 89 2HB ARG 89 12.537 3.984 -9.191 181 HB3 ARG 89 1HB ARG 89 13.152 3.665 -7.588 182 HG2 ARG 89 2HG ARG 89 14.602 5.601 -7.735 183 HG3 ARG 89 1HG ARG 89 14.055 5.886 -9.395 184 HD2 ARG 89 2HD ARG 89 12.342 5.937 -6.910 185 HD3 ARG 89 1HD ARG 89 12.828 7.334 -7.870 186 HE ARG 89 HE ARG 89 11.577 6.118 -9.736 187 HH11 ARG 89 1HH1 ARG 89 10.534 6.234 -6.316 188 HH12 ARG 89 2HH1 ARG 89 8.920 5.841 -6.700 189 HH21 ARG 89 1HH2 ARG 89 9.327 5.571 -10.179 190 HH22 ARG 89 2HH2 ARG 89 8.240 5.476 -8.859 191 H ASN 90 H ASN 90 14.639 1.620 -7.254 192 HA ASN 90 HA ASN 90 17.090 2.712 -6.130 193 HB2 ASN 90 2HB ASN 90 15.003 0.835 -5.173 194 HB3 ASN 90 1HB ASN 90 16.452 1.139 -4.235 195 HD21 ASN 90 1HD2 ASN 90 13.529 1.783 -4.072 196 HD22 ASN 90 2HD2 ASN 90 13.483 3.449 -3.636 197 H GLY 91 H GLY 91 15.987 -0.153 -7.735 198 HA2 GLY 91 2HA GLY 91 17.347 -1.654 -8.825 199 HA3 GLY 91 1HA GLY 91 18.741 -1.009 -7.964 200 H HIS 92 H HIS 92 15.666 -2.303 -6.823 201 HA HIS 92 HA HIS 92 17.137 -4.180 -5.108 202 HB2 HIS 92 2HB HIS 92 14.142 -3.582 -5.186 203 HB3 HIS 92 1HB HIS 92 14.932 -4.655 -4.048 204 HD1 HIS 92 1HD HIS 92 16.672 -3.320 -2.305 205 HD2 HIS 92 2HD HIS 92 13.841 -1.051 -4.326 206 HE1 HIS 92 1HE HIS 92 16.518 -1.101 -1.107 207 H ASN 93 H ASN 93 16.265 -6.494 -5.140 208 HA ASN 93 HA ASN 93 16.083 -7.219 -7.922 209 HB2 ASN 93 2HB ASN 93 16.336 -8.953 -5.463 210 HB3 ASN 93 1HB ASN 93 16.060 -9.619 -7.064 211 HD21 ASN 93 1HD2 ASN 93 18.352 -8.281 -4.892 212 HD22 ASN 93 2HD2 ASN 93 19.719 -8.454 -5.925 213 H VAL 94 H VAL 94 14.172 -6.494 -8.553 214 HA VAL 94 HA VAL 94 11.923 -8.209 -7.803 215 HB VAL 94 HB VAL 94 11.743 -5.216 -8.354 216 HG11 VAL 94 1HG1 VAL 94 9.814 -6.399 -9.285 217 HG12 VAL 94 2HG1 VAL 94 9.336 -5.451 -7.877 218 HG13 VAL 94 3HG1 VAL 94 9.543 -7.197 -7.735 219 HG21 VAL 94 1HG2 VAL 94 12.542 -5.682 -6.103 220 HG22 VAL 94 2HG2 VAL 94 11.180 -6.769 -5.834 221 HG23 VAL 94 3HG2 VAL 94 10.898 -5.044 -6.057 222 H SER 95 H SER 95 11.046 -9.146 -9.499 223 HA SER 95 HA SER 95 12.114 -8.645 -12.103 224 HB2 SER 95 2HB SER 95 9.977 -10.559 -11.153 225 HB3 SER 95 1HB SER 95 10.776 -10.602 -12.728 226 HG SER 95 HG SER 95 12.435 -10.532 -10.531 227 H THR 96 H THR 96 10.804 -8.118 -13.961 228 HA THR 96 HA THR 96 9.020 -6.036 -13.388 229 HB THR 96 HB THR 96 8.668 -6.201 -15.964 230 HG1 THR 96 1HG THR 96 9.860 -7.614 -16.980 231 HG21 THR 96 1HG2 THR 96 11.389 -5.612 -14.779 232 HG22 THR 96 2HG2 THR 96 10.037 -4.481 -14.849 233 HG23 THR 96 3HG2 THR 96 10.803 -5.037 -16.337 234 H ARG 97 H ARG 97 8.571 -9.405 -14.173 235 HA ARG 97 HA ARG 97 5.669 -9.021 -13.855 236 HB2 ARG 97 2HB ARG 97 7.091 -11.264 -15.312 237 HB3 ARG 97 1HB ARG 97 5.360 -11.088 -15.127 238 HG2 ARG 97 2HG ARG 97 5.448 -9.047 -16.512 239 HG3 ARG 97 1HG ARG 97 7.183 -9.315 -16.740 240 HD2 ARG 97 2HD ARG 97 6.669 -11.542 -17.697 241 HD3 ARG 97 1HD ARG 97 4.954 -11.178 -17.542 242 HE ARG 97 HE ARG 97 6.513 -9.290 -19.078 243 HH11 ARG 97 1HH1 ARG 97 4.413 -12.132 -19.176 244 HH12 ARG 97 2HH1 ARG 97 4.036 -11.958 -20.823 245 HH21 ARG 97 1HH2 ARG 97 6.017 -9.092 -21.369 246 HH22 ARG 97 2HH2 ARG 97 4.988 -10.230 -22.097 247 H GLY 98 H GLY 98 4.693 -10.415 -12.329 248 HA2 GLY 98 2HA GLY 98 5.102 -12.713 -11.338 249 HA3 GLY 98 1HA GLY 98 6.609 -12.005 -10.785 250 H ARG 99 H ARG 99 6.295 -12.107 -8.694 251 HA ARG 99 HA ARG 99 3.877 -10.981 -7.476 252 HB2 ARG 99 2HB ARG 99 5.987 -12.852 -6.386 253 HB3 ARG 99 1HB ARG 99 4.593 -12.271 -5.483 254 HG2 ARG 99 2HG ARG 99 3.106 -13.412 -6.997 255 HG3 ARG 99 1HG ARG 99 4.469 -13.934 -7.990 256 HD2 ARG 99 2HD ARG 99 3.746 -15.748 -6.558 257 HD3 ARG 99 1HD ARG 99 5.347 -15.202 -6.081 258 HE ARG 99 HE ARG 99 3.398 -13.866 -4.556 259 HH11 ARG 99 1HH1 ARG 99 4.858 -17.085 -4.883 260 HH12 ARG 99 2HH1 ARG 99 4.556 -17.520 -3.268 261 HH21 ARG 99 1HH2 ARG 99 2.953 -14.521 -2.357 262 HH22 ARG 99 2HH2 ARG 99 3.446 -16.062 -1.810 263 H ILE 100 H ILE 100 4.362 -9.847 -5.346 264 HA ILE 100 HA ILE 100 6.693 -8.097 -5.764 265 HB ILE 100 HB ILE 100 4.285 -7.563 -4.003 266 HG12 ILE 100 2HG1 ILE 100 3.591 -7.729 -6.389 267 HG13 ILE 100 1HG1 ILE 100 3.401 -6.103 -5.744 268 HG21 ILE 100 1HG2 ILE 100 5.070 -5.234 -4.081 269 HG22 ILE 100 2HG2 ILE 100 6.453 -5.747 -5.051 270 HG23 ILE 100 3HG2 ILE 100 6.272 -6.334 -3.397 271 HD11 ILE 100 1HD1 ILE 100 5.483 -5.462 -6.850 272 HD12 ILE 100 2HD1 ILE 100 4.243 -6.021 -7.966 273 HD13 ILE 100 3HD1 ILE 100 5.596 -7.084 -7.548 274 HA PRO 101 HA PRO 101 8.407 -10.053 -1.957 275 HB2 PRO 101 2HB PRO 101 10.224 -7.741 -2.171 276 HB3 PRO 101 1HB PRO 101 10.621 -9.468 -2.096 277 HG2 PRO 101 2HG PRO 101 10.956 -8.180 -4.346 278 HG3 PRO 101 1HG PRO 101 10.268 -9.816 -4.338 279 HD2 PRO 101 2HD PRO 101 8.843 -7.209 -4.665 280 HD3 PRO 101 1HD PRO 101 8.623 -8.744 -5.537 281 H ALA 102 H ALA 102 7.522 -9.800 -0.131 282 HA ALA 102 HA ALA 102 6.169 -7.510 0.786 283 HB1 ALA 102 1HB ALA 102 7.228 -9.831 2.405 284 HB2 ALA 102 2HB ALA 102 5.666 -9.785 1.588 285 HB3 ALA 102 3HB ALA 102 5.995 -8.682 2.922 286 H ASP 103 H ASP 103 9.412 -8.619 1.132 287 HA ASP 103 HA ASP 103 10.352 -6.846 3.134 288 HB2 ASP 103 2HB ASP 103 11.797 -8.006 0.737 289 HB3 ASP 103 1HB ASP 103 12.595 -7.089 2.004 290 H VAL 104 H VAL 104 10.122 -6.629 -0.348 291 HA VAL 104 HA VAL 104 11.231 -4.037 -0.530 292 HB VAL 104 HB VAL 104 9.598 -5.719 -2.444 293 HG11 VAL 104 1HG1 VAL 104 10.075 -4.057 -4.193 294 HG12 VAL 104 2HG1 VAL 104 10.724 -2.961 -2.964 295 HG13 VAL 104 3HG1 VAL 104 9.020 -3.446 -2.921 296 HG21 VAL 104 1HG2 VAL 104 11.900 -6.398 -2.026 297 HG22 VAL 104 2HG2 VAL 104 12.462 -4.783 -2.466 298 HG23 VAL 104 3HG2 VAL 104 11.696 -5.814 -3.677 299 H ILE 105 H ILE 105 7.984 -5.260 -0.206 300 HA ILE 105 HA ILE 105 6.600 -2.851 -0.590 301 HB ILE 105 HB ILE 105 5.797 -5.227 1.104 302 HG12 ILE 105 2HG1 ILE 105 5.223 -4.484 -1.760 303 HG13 ILE 105 1HG1 ILE 105 6.273 -5.766 -1.218 304 HG21 ILE 105 1HG2 ILE 105 4.112 -2.977 -0.011 305 HG22 ILE 105 2HG2 ILE 105 4.490 -3.235 1.693 306 HG23 ILE 105 3HG2 ILE 105 3.499 -4.406 0.822 307 HD11 ILE 105 1HD1 ILE 105 3.295 -5.640 -0.772 308 HD12 ILE 105 2HD1 ILE 105 4.355 -6.951 -0.247 309 HD13 ILE 105 3HD1 ILE 105 4.130 -6.624 -1.972 310 H ASP 106 H ASP 106 7.818 -4.320 2.439 311 HA ASP 106 HA ASP 106 6.748 -2.172 4.014 312 HB2 ASP 106 2HB ASP 106 7.219 -4.428 4.973 313 HB3 ASP 106 1HB ASP 106 8.943 -4.108 4.803 314 H ALA 107 H ALA 107 9.864 -2.844 2.555 315 HA ALA 107 HA ALA 107 11.233 -0.628 3.604 316 HB1 ALA 107 1HB ALA 107 12.768 -0.918 1.703 317 HB2 ALA 107 2HB ALA 107 11.588 -1.982 0.928 318 HB3 ALA 107 3HB ALA 107 12.356 -2.472 2.432 319 H TYR 108 H TYR 108 9.254 -1.022 0.716 320 HA TYR 108 HA TYR 108 9.474 1.517 -0.403 321 HB2 TYR 108 2HB TYR 108 8.477 -0.243 -1.665 322 HB3 TYR 108 1HB TYR 108 7.247 -0.527 -0.453 323 HD1 TYR 108 1HD TYR 108 8.339 1.700 -3.157 324 HD2 TYR 108 2HD TYR 108 5.220 0.810 -0.422 325 HE1 TYR 108 1HE TYR 108 6.840 3.166 -4.407 326 HE2 TYR 108 2HE TYR 108 3.696 2.282 -1.669 327 HH TYR 108 HH TYR 108 3.827 4.152 -3.171 328 H HIS 109 H HIS 109 7.153 0.272 1.924 329 HA HIS 109 HA HIS 109 5.793 2.743 2.103 330 HB2 HIS 109 2HB HIS 109 5.617 0.184 3.614 331 HB3 HIS 109 1HB HIS 109 4.763 1.586 4.220 332 HD1 HIS 109 1HD HIS 109 2.669 2.351 2.857 333 HD2 HIS 109 2HD HIS 109 4.672 -0.887 1.206 334 HE1 HIS 109 1HE HIS 109 1.137 1.416 1.093 335 H ALA 110 H ALA 110 8.493 1.439 3.838 336 HA ALA 110 HA ALA 110 8.304 3.424 5.910 337 HB1 ALA 110 1HB ALA 110 10.598 1.603 5.201 338 HB2 ALA 110 2HB ALA 110 9.306 1.222 6.337 339 HB3 ALA 110 3HB ALA 110 10.435 2.536 6.691 340 H ALA 111 H ALA 111 10.079 3.060 2.886 341 HA ALA 111 HA ALA 111 11.652 5.425 3.464 342 HB1 ALA 111 1HB ALA 111 12.744 3.479 2.481 343 HB2 ALA 111 2HB ALA 111 12.857 4.879 1.415 344 HB3 ALA 111 3HB ALA 111 11.689 3.605 1.078 345 H ASP 112 H ASP 112 10.690 7.268 3.185 346 HA ASP 112 HA ASP 112 10.164 8.460 0.784 347 HB2 ASP 112 2HB ASP 112 8.151 7.049 0.599 348 HB3 ASP 112 1HB ASP 112 7.590 7.621 2.167 Start of MODEL 11 1 H MET 65 1HT MET 65 -18.166 -3.271 -23.069 2 HA MET 65 HA MET 65 -17.778 -6.133 -23.546 3 HB2 MET 65 2HB MET 65 -15.888 -3.807 -24.035 4 HB3 MET 65 1HB MET 65 -15.408 -5.488 -24.066 5 HG2 MET 65 2HG MET 65 -15.652 -4.738 -26.309 6 HG3 MET 65 1HG MET 65 -16.976 -5.845 -25.960 7 HE1 MET 65 1HE MET 65 -18.567 -3.317 -28.484 8 HE2 MET 65 2HE MET 65 -18.244 -5.016 -28.133 9 HE3 MET 65 3HE MET 65 -16.909 -3.919 -28.485 10 H SER 66 H SER 66 -18.122 -6.714 -21.446 11 HA SER 66 HA SER 66 -16.646 -5.307 -19.362 12 HB2 SER 66 2HB SER 66 -18.861 -7.351 -19.142 13 HB3 SER 66 1HB SER 66 -18.222 -6.338 -17.845 14 HG SER 66 HG SER 66 -19.637 -5.525 -20.160 15 H GLY 67 H GLY 67 -15.416 -6.540 -17.868 16 HA2 GLY 67 2HA GLY 67 -14.395 -9.071 -18.921 17 HA3 GLY 67 1HA GLY 67 -13.684 -8.130 -17.599 18 H SER 68 H SER 68 -13.789 -9.367 -15.807 19 HA SER 68 HA SER 68 -16.207 -10.881 -15.322 20 HB2 SER 68 2HB SER 68 -13.711 -10.608 -13.606 21 HB3 SER 68 1HB SER 68 -15.007 -11.789 -13.389 22 HG SER 68 HG SER 68 -13.051 -11.591 -15.358 23 H GLY 69 H GLY 69 -17.686 -9.251 -15.099 24 HA2 GLY 69 2HA GLY 69 -18.882 -8.052 -13.381 25 HA3 GLY 69 1HA GLY 69 -17.329 -7.418 -12.829 26 H ARG 70 H ARG 70 -17.221 -5.310 -13.362 27 HA ARG 70 HA ARG 70 -18.422 -4.421 -15.869 28 HB2 ARG 70 2HB ARG 70 -17.853 -2.134 -15.136 29 HB3 ARG 70 1HB ARG 70 -18.755 -2.990 -13.894 30 HG2 ARG 70 2HG ARG 70 -16.659 -3.392 -12.677 31 HG3 ARG 70 1HG ARG 70 -15.778 -2.537 -13.933 32 HD2 ARG 70 2HD ARG 70 -16.927 -0.491 -13.443 33 HD3 ARG 70 1HD ARG 70 -17.979 -1.310 -12.278 34 HE ARG 70 HE ARG 70 -15.460 -1.805 -11.399 35 HH11 ARG 70 1HH1 ARG 70 -17.270 1.173 -12.023 36 HH12 ARG 70 2HH1 ARG 70 -16.462 2.076 -10.834 37 HH21 ARG 70 1HH2 ARG 70 -14.375 -0.593 -9.797 38 HH22 ARG 70 2HH2 ARG 70 -14.748 1.047 -9.529 39 H GLY 71 H GLY 71 -15.363 -5.131 -14.513 40 HA2 GLY 71 2HA GLY 71 -13.893 -5.572 -16.670 41 HA3 GLY 71 1HA GLY 71 -13.834 -3.813 -16.569 42 H ARG 72 H ARG 72 -12.044 -3.187 -15.601 43 HA ARG 72 HA ARG 72 -11.222 -4.676 -13.203 44 HB2 ARG 72 2HB ARG 72 -9.339 -3.579 -15.296 45 HB3 ARG 72 1HB ARG 72 -8.837 -4.291 -13.775 46 HG2 ARG 72 2HG ARG 72 -9.856 -6.420 -14.451 47 HG3 ARG 72 1HG ARG 72 -10.326 -5.696 -15.987 48 HD2 ARG 72 2HD ARG 72 -8.333 -6.996 -16.308 49 HD3 ARG 72 1HD ARG 72 -7.920 -5.297 -16.467 50 HE ARG 72 HE ARG 72 -7.281 -5.604 -13.975 51 HH11 ARG 72 1HH1 ARG 72 -6.757 -7.992 -16.530 52 HH12 ARG 72 2HH1 ARG 72 -5.360 -8.663 -15.825 53 HH21 ARG 72 1HH2 ARG 72 -5.405 -6.502 -13.001 54 HH22 ARG 72 2HH2 ARG 72 -4.544 -7.767 -13.752 55 H GLY 73 H GLY 73 -11.115 -1.594 -14.905 56 HA2 GLY 73 2HA GLY 73 -11.198 0.528 -14.088 57 HA3 GLY 73 1HA GLY 73 -11.532 -0.154 -12.500 58 H ALA 74 H ALA 74 -10.060 0.278 -11.017 59 HA ALA 74 HA ALA 74 -7.283 0.718 -11.835 60 HB1 ALA 74 1HB ALA 74 -7.201 2.560 -10.198 61 HB2 ALA 74 2HB ALA 74 -8.927 2.364 -9.905 62 HB3 ALA 74 3HB ALA 74 -8.356 2.891 -11.487 63 H ILE 75 H ILE 75 -6.014 0.897 -9.515 64 HA ILE 75 HA ILE 75 -7.003 -1.348 -7.950 65 HB ILE 75 HB ILE 75 -4.105 -0.473 -8.276 66 HG12 ILE 75 2HG1 ILE 75 -5.067 -1.417 -10.341 67 HG13 ILE 75 1HG1 ILE 75 -3.749 -2.394 -9.675 68 HG21 ILE 75 1HG2 ILE 75 -3.585 -2.611 -7.175 69 HG22 ILE 75 2HG2 ILE 75 -5.317 -2.920 -7.007 70 HG23 ILE 75 3HG2 ILE 75 -4.579 -1.556 -6.161 71 HD11 ILE 75 1HD1 ILE 75 -5.408 -3.951 -8.786 72 HD12 ILE 75 2HD1 ILE 75 -5.569 -3.776 -10.537 73 HD13 ILE 75 3HD1 ILE 75 -6.697 -2.954 -9.452 74 H ASP 76 H ASP 76 -6.948 -1.049 -5.776 75 HA ASP 76 HA ASP 76 -6.276 1.660 -4.782 76 HB2 ASP 76 2HB ASP 76 -8.732 1.370 -4.912 77 HB3 ASP 76 1HB ASP 76 -8.612 -0.070 -3.914 78 H ARG 77 H ARG 77 -5.440 1.797 -2.658 79 HA ARG 77 HA ARG 77 -4.365 1.275 -0.819 80 HB2 ARG 77 2HB ARG 77 -6.273 -0.319 -0.364 81 HB3 ARG 77 1HB ARG 77 -5.318 -1.590 -1.104 82 HG2 ARG 77 2HG ARG 77 -5.182 -1.739 1.312 83 HG3 ARG 77 1HG ARG 77 -3.608 -1.298 0.648 84 HD2 ARG 77 2HD ARG 77 -4.003 1.036 1.189 85 HD3 ARG 77 1HD ARG 77 -5.614 0.648 1.779 86 HE ARG 77 HE ARG 77 -4.062 -0.875 3.332 87 HH11 ARG 77 1HH1 ARG 77 -3.608 2.494 2.396 88 HH12 ARG 77 2HH1 ARG 77 -3.109 3.027 3.934 89 HH21 ARG 77 1HH2 ARG 77 -3.361 -0.136 5.509 90 HH22 ARG 77 2HH2 ARG 77 -2.954 1.507 5.714 91 H GLU 78 H GLU 78 -3.981 -1.362 -3.112 92 HA GLU 78 HA GLU 78 -1.126 -1.502 -2.528 93 HB2 GLU 78 2HB GLU 78 -2.376 -3.598 -2.647 94 HB3 GLU 78 1HB GLU 78 -2.951 -3.191 -4.252 95 HG2 GLU 78 2HG GLU 78 -0.651 -3.318 -5.098 96 HG3 GLU 78 1HG GLU 78 -0.096 -3.755 -3.483 97 H GLN 79 H GLN 79 0.024 0.033 -3.650 98 HA GLN 79 HA GLN 79 -0.742 0.414 -6.450 99 HB2 GLN 79 2HB GLN 79 0.896 2.255 -4.703 100 HB3 GLN 79 1HB GLN 79 0.578 2.497 -6.415 101 HG2 GLN 79 2HG GLN 79 -1.517 2.405 -4.257 102 HG3 GLN 79 1HG GLN 79 -0.866 3.870 -4.984 103 HE21 GLN 79 1HE2 GLN 79 -2.882 1.071 -5.494 104 HE22 GLN 79 2HE2 GLN 79 -3.698 1.674 -6.880 105 H SER 80 H SER 80 0.228 -1.492 -6.966 106 HA SER 80 HA SER 80 2.868 -2.221 -6.433 107 HB2 SER 80 2HB SER 80 1.073 -3.079 -8.699 108 HB3 SER 80 1HB SER 80 2.536 -3.916 -8.171 109 HG SER 80 HG SER 80 0.313 -4.557 -7.280 110 H ALA 81 H ALA 81 1.520 -0.243 -8.969 111 HA ALA 81 HA ALA 81 3.723 -0.278 -10.738 112 HB1 ALA 81 1HB ALA 81 2.759 1.766 -11.690 113 HB2 ALA 81 2HB ALA 81 1.690 1.920 -10.294 114 HB3 ALA 81 3HB ALA 81 1.507 0.557 -11.400 115 H ALA 82 H ALA 82 2.791 2.003 -8.222 116 HA ALA 82 HA ALA 82 5.036 3.675 -8.393 117 HB1 ALA 82 1HB ALA 82 3.235 3.143 -6.033 118 HB2 ALA 82 2HB ALA 82 2.946 4.330 -7.304 119 HB3 ALA 82 3HB ALA 82 4.319 4.523 -6.217 120 H ILE 83 H ILE 83 4.362 0.814 -6.440 121 HA ILE 83 HA ILE 83 6.716 0.866 -4.903 122 HB ILE 83 HB ILE 83 5.111 -1.584 -5.753 123 HG12 ILE 83 2HG1 ILE 83 4.982 0.068 -3.213 124 HG13 ILE 83 1HG1 ILE 83 3.797 0.105 -4.508 125 HG21 ILE 83 1HG2 ILE 83 6.144 -2.697 -3.811 126 HG22 ILE 83 2HG2 ILE 83 7.119 -1.258 -3.516 127 HG23 ILE 83 3HG2 ILE 83 7.355 -2.197 -4.989 128 HD11 ILE 83 1HD1 ILE 83 3.238 -2.237 -4.057 129 HD12 ILE 83 2HD1 ILE 83 3.012 -1.211 -2.639 130 HD13 ILE 83 3HD1 ILE 83 4.431 -2.254 -2.753 131 H ARG 84 H ARG 84 6.007 -0.658 -8.036 132 HA ARG 84 HA ARG 84 8.507 -1.852 -8.472 133 HB2 ARG 84 2HB ARG 84 6.459 -0.791 -10.405 134 HB3 ARG 84 1HB ARG 84 7.960 -1.516 -10.952 135 HG2 ARG 84 2HG ARG 84 7.361 -3.606 -9.880 136 HG3 ARG 84 1HG ARG 84 5.880 -2.875 -9.260 137 HD2 ARG 84 2HD ARG 84 5.052 -2.537 -11.496 138 HD3 ARG 84 1HD ARG 84 6.569 -3.100 -12.188 139 HE ARG 84 HE ARG 84 5.921 -5.255 -10.872 140 HH11 ARG 84 1HH1 ARG 84 3.699 -3.187 -12.705 141 HH12 ARG 84 2HH1 ARG 84 2.684 -4.483 -13.137 142 HH21 ARG 84 1HH2 ARG 84 4.490 -6.976 -11.444 143 HH22 ARG 84 2HH2 ARG 84 3.130 -6.649 -12.427 144 H GLU 85 H GLU 85 7.371 1.365 -9.298 145 HA GLU 85 HA GLU 85 9.684 2.140 -10.688 146 HB2 GLU 85 2HB GLU 85 7.694 3.897 -9.261 147 HB3 GLU 85 1HB GLU 85 8.867 4.441 -10.460 148 HG2 GLU 85 2HG GLU 85 6.568 2.549 -10.915 149 HG3 GLU 85 1HG GLU 85 6.673 4.226 -11.439 150 H TRP 86 H TRP 86 8.788 2.550 -7.305 151 HA TRP 86 HA TRP 86 11.125 3.939 -6.487 152 HB2 TRP 86 2HB TRP 86 9.162 3.917 -5.082 153 HB3 TRP 86 1HB TRP 86 9.199 2.163 -4.983 154 HD1 TRP 86 HD TRP 86 10.886 5.281 -3.543 155 HE1 TRP 86 1HE TRP 86 12.169 4.611 -1.414 156 HE3 TRP 86 3HE TRP 86 10.419 0.199 -3.850 157 HZ2 TRP 86 2HZ TRP 86 12.895 2.256 -0.060 158 HZ3 TRP 86 3HZ TRP 86 11.454 -1.184 -2.094 159 HH2 TRP 86 HH TRP 86 12.660 -0.169 -0.247 160 H ALA 87 H ALA 87 10.284 0.557 -6.655 161 HA ALA 87 HA ALA 87 12.576 -0.495 -5.443 162 HB1 ALA 87 1HB ALA 87 11.899 -2.589 -6.515 163 HB2 ALA 87 2HB ALA 87 10.747 -1.670 -7.506 164 HB3 ALA 87 3HB ALA 87 10.535 -1.755 -5.764 165 H ARG 88 H ARG 88 11.788 0.102 -8.811 166 HA ARG 88 HA ARG 88 14.286 -0.776 -9.825 167 HB2 ARG 88 2HB ARG 88 12.176 1.023 -11.005 168 HB3 ARG 88 1HB ARG 88 13.545 0.390 -11.909 169 HG2 ARG 88 2HG ARG 88 12.758 -1.870 -11.585 170 HG3 ARG 88 1HG ARG 88 11.462 -1.291 -10.548 171 HD2 ARG 88 2HD ARG 88 10.659 -1.781 -12.792 172 HD3 ARG 88 1HD ARG 88 10.486 -0.073 -12.394 173 HE ARG 88 HE ARG 88 12.832 -0.944 -13.882 174 HH11 ARG 88 1HH1 ARG 88 9.730 0.856 -13.821 175 HH12 ARG 88 2HH1 ARG 88 9.973 1.570 -15.326 176 HH21 ARG 88 1HH2 ARG 88 13.105 0.047 -15.994 177 HH22 ARG 88 2HH2 ARG 88 11.891 1.079 -16.622 178 H ARG 89 H ARG 89 13.082 2.326 -8.703 179 HA ARG 89 HA ARG 89 15.145 4.066 -9.439 180 HB2 ARG 89 2HB ARG 89 13.119 4.840 -8.320 181 HB3 ARG 89 1HB ARG 89 13.515 3.900 -6.895 182 HG2 ARG 89 2HG ARG 89 15.547 5.376 -6.632 183 HG3 ARG 89 1HG ARG 89 14.854 6.401 -7.892 184 HD2 ARG 89 2HD ARG 89 12.846 6.714 -6.578 185 HD3 ARG 89 1HD ARG 89 13.452 5.630 -5.334 186 HE ARG 89 HE ARG 89 14.809 8.148 -6.017 187 HH11 ARG 89 1HH1 ARG 89 13.470 5.965 -3.548 188 HH12 ARG 89 2HH1 ARG 89 13.906 6.966 -2.246 189 HH21 ARG 89 1HH2 ARG 89 15.384 9.500 -4.194 190 HH22 ARG 89 2HH2 ARG 89 15.013 8.980 -2.608 191 H ASN 90 H ASN 90 14.809 1.985 -6.625 192 HA ASN 90 HA ASN 90 17.435 2.453 -5.602 193 HB2 ASN 90 2HB ASN 90 15.342 0.391 -5.030 194 HB3 ASN 90 1HB ASN 90 16.931 0.234 -4.317 195 HD21 ASN 90 1HD2 ASN 90 13.921 1.964 -4.299 196 HD22 ASN 90 2HD2 ASN 90 14.270 2.846 -2.859 197 H GLY 91 H GLY 91 15.981 -0.130 -7.462 198 HA2 GLY 91 2HA GLY 91 17.357 -0.985 -9.315 199 HA3 GLY 91 1HA GLY 91 18.694 -1.017 -8.167 200 H HIS 92 H HIS 92 15.464 -1.975 -7.263 201 HA HIS 92 HA HIS 92 16.457 -4.673 -6.737 202 HB2 HIS 92 2HB HIS 92 13.648 -3.629 -6.258 203 HB3 HIS 92 1HB HIS 92 14.393 -5.030 -5.525 204 HD1 HIS 92 1HD HIS 92 16.875 -3.821 -4.149 205 HD2 HIS 92 2HD HIS 92 13.161 -1.961 -4.281 206 HE1 HIS 92 1HE HIS 92 16.861 -2.069 -2.319 207 H ASN 93 H ASN 93 15.767 -6.428 -7.973 208 HA ASN 93 HA ASN 93 14.296 -5.686 -10.344 209 HB2 ASN 93 2HB ASN 93 15.873 -8.151 -9.665 210 HB3 ASN 93 1HB ASN 93 14.721 -8.174 -10.994 211 HD21 ASN 93 1HD2 ASN 93 17.695 -6.796 -9.832 212 HD22 ASN 93 2HD2 ASN 93 18.244 -6.197 -11.356 213 H VAL 94 H VAL 94 12.300 -5.591 -10.225 214 HA VAL 94 HA VAL 94 10.869 -7.431 -8.460 215 HB VAL 94 HB VAL 94 10.247 -4.558 -9.197 216 HG11 VAL 94 1HG1 VAL 94 8.314 -4.737 -7.698 217 HG12 VAL 94 2HG1 VAL 94 8.620 -6.466 -7.523 218 HG13 VAL 94 3HG1 VAL 94 8.155 -5.810 -9.089 219 HG21 VAL 94 1HG2 VAL 94 10.483 -4.199 -6.787 220 HG22 VAL 94 2HG2 VAL 94 11.960 -4.817 -7.524 221 HG23 VAL 94 3HG2 VAL 94 10.924 -5.895 -6.590 222 H SER 95 H SER 95 9.174 -8.502 -9.143 223 HA SER 95 HA SER 95 7.613 -9.442 -10.379 224 HB2 SER 95 2HB SER 95 7.908 -7.079 -12.253 225 HB3 SER 95 1HB SER 95 6.606 -8.271 -12.319 226 HG SER 95 HG SER 95 6.361 -7.622 -9.957 227 H THR 96 H THR 96 10.631 -9.545 -10.911 228 HA THR 96 HA THR 96 10.624 -10.952 -13.408 229 HB THR 96 HB THR 96 13.063 -11.279 -12.754 230 HG1 THR 96 1HG THR 96 12.836 -11.109 -10.514 231 HG21 THR 96 1HG2 THR 96 13.666 -8.911 -13.078 232 HG22 THR 96 2HG2 THR 96 12.002 -8.460 -12.676 233 HG23 THR 96 3HG2 THR 96 12.329 -9.368 -14.143 234 H ARG 97 H ARG 97 9.263 -12.652 -13.018 235 HA ARG 97 HA ARG 97 8.351 -14.522 -12.195 236 HB2 ARG 97 2HB ARG 97 11.176 -15.090 -11.238 237 HB3 ARG 97 1HB ARG 97 9.857 -16.197 -10.925 238 HG2 ARG 97 2HG ARG 97 11.051 -17.015 -12.809 239 HG3 ARG 97 1HG ARG 97 9.520 -16.374 -13.398 240 HD2 ARG 97 2HD ARG 97 11.327 -15.751 -14.870 241 HD3 ARG 97 1HD ARG 97 10.678 -14.316 -14.076 242 HE ARG 97 HE ARG 97 12.801 -15.275 -12.554 243 HH11 ARG 97 1HH1 ARG 97 12.329 -13.902 -15.754 244 HH12 ARG 97 2HH1 ARG 97 13.845 -13.155 -15.833 245 HH21 ARG 97 1HH2 ARG 97 14.869 -14.286 -12.612 246 HH22 ARG 97 2HH2 ARG 97 15.352 -13.364 -13.955 247 H GLY 98 H GLY 98 6.975 -13.340 -10.972 248 HA2 GLY 98 2HA GLY 98 6.386 -14.058 -8.500 249 HA3 GLY 98 1HA GLY 98 7.610 -12.823 -8.201 250 H ARG 99 H ARG 99 5.626 -11.866 -7.127 251 HA ARG 99 HA ARG 99 4.001 -10.406 -9.081 252 HB2 ARG 99 2HB ARG 99 2.931 -11.842 -7.191 253 HB3 ARG 99 1HB ARG 99 3.493 -10.635 -6.077 254 HG2 ARG 99 2HG ARG 99 1.432 -10.282 -8.271 255 HG3 ARG 99 1HG ARG 99 1.129 -10.334 -6.540 256 HD2 ARG 99 2HD ARG 99 2.560 -8.257 -6.375 257 HD3 ARG 99 1HD ARG 99 2.528 -8.205 -8.130 258 HE ARG 99 HE ARG 99 0.221 -7.887 -6.351 259 HH11 ARG 99 1HH1 ARG 99 1.596 -7.556 -9.598 260 HH12 ARG 99 2HH1 ARG 99 0.480 -6.382 -10.107 261 HH21 ARG 99 1HH2 ARG 99 -1.271 -6.180 -7.005 262 HH22 ARG 99 2HH2 ARG 99 -1.216 -5.598 -8.601 263 H ILE 100 H ILE 100 4.800 -9.588 -5.881 264 HA ILE 100 HA ILE 100 6.753 -7.538 -6.590 265 HB ILE 100 HB ILE 100 4.306 -6.869 -4.882 266 HG12 ILE 100 2HG1 ILE 100 3.737 -6.790 -7.314 267 HG13 ILE 100 1HG1 ILE 100 3.619 -5.222 -6.532 268 HG21 ILE 100 1HG2 ILE 100 6.644 -5.146 -5.637 269 HG22 ILE 100 2HG2 ILE 100 6.300 -5.846 -4.055 270 HG23 ILE 100 3HG2 ILE 100 5.224 -4.614 -4.724 271 HD11 ILE 100 1HD1 ILE 100 5.772 -4.609 -7.492 272 HD12 ILE 100 2HD1 ILE 100 4.590 -5.054 -8.734 273 HD13 ILE 100 3HD1 ILE 100 5.860 -6.190 -8.269 274 HA PRO 101 HA PRO 101 8.292 -9.767 -2.908 275 HB2 PRO 101 2HB PRO 101 10.111 -7.431 -2.871 276 HB3 PRO 101 1HB PRO 101 10.516 -9.159 -2.828 277 HG2 PRO 101 2HG PRO 101 10.955 -7.792 -5.015 278 HG3 PRO 101 1HG PRO 101 10.286 -9.435 -5.100 279 HD2 PRO 101 2HD PRO 101 8.891 -6.826 -5.460 280 HD3 PRO 101 1HD PRO 101 8.667 -8.368 -6.322 281 H ALA 102 H ALA 102 7.300 -9.672 -1.128 282 HA ALA 102 HA ALA 102 5.932 -7.459 -0.073 283 HB1 ALA 102 1HB ALA 102 5.363 -9.767 0.532 284 HB2 ALA 102 2HB ALA 102 5.659 -8.788 1.970 285 HB3 ALA 102 3HB ALA 102 6.888 -9.914 1.404 286 H ASP 103 H ASP 103 9.116 -8.716 0.482 287 HA ASP 103 HA ASP 103 9.962 -7.065 2.576 288 HB2 ASP 103 2HB ASP 103 11.346 -8.910 1.795 289 HB3 ASP 103 1HB ASP 103 11.536 -8.136 0.223 290 H VAL 104 H VAL 104 9.914 -6.542 -0.908 291 HA VAL 104 HA VAL 104 11.115 -3.974 -0.842 292 HB VAL 104 HB VAL 104 9.495 -5.443 -2.935 293 HG11 VAL 104 1HG1 VAL 104 8.922 -3.113 -3.204 294 HG12 VAL 104 2HG1 VAL 104 9.978 -3.635 -4.519 295 HG13 VAL 104 3HG1 VAL 104 10.628 -2.649 -3.202 296 HG21 VAL 104 1HG2 VAL 104 12.353 -4.493 -2.842 297 HG22 VAL 104 2HG2 VAL 104 11.613 -5.411 -4.150 298 HG23 VAL 104 3HG2 VAL 104 11.808 -6.142 -2.552 299 H ILE 105 H ILE 105 7.806 -5.101 -0.773 300 HA ILE 105 HA ILE 105 6.487 -2.624 -0.949 301 HB ILE 105 HB ILE 105 5.592 -5.117 0.531 302 HG12 ILE 105 2HG1 ILE 105 5.065 -4.193 -2.296 303 HG13 ILE 105 1HG1 ILE 105 6.141 -5.486 -1.838 304 HG21 ILE 105 1HG2 ILE 105 4.297 -3.158 1.209 305 HG22 ILE 105 2HG2 ILE 105 3.311 -4.235 0.218 306 HG23 ILE 105 3HG2 ILE 105 3.979 -2.765 -0.482 307 HD11 ILE 105 1HD1 ILE 105 4.035 -6.370 -2.651 308 HD12 ILE 105 2HD1 ILE 105 3.155 -5.442 -1.440 309 HD13 ILE 105 3HD1 ILE 105 4.217 -6.751 -0.940 310 H ASP 106 H ASP 106 7.547 -4.465 1.879 311 HA ASP 106 HA ASP 106 6.563 -2.631 3.836 312 HB2 ASP 106 2HB ASP 106 7.174 -5.013 4.305 313 HB3 ASP 106 1HB ASP 106 8.863 -4.591 4.076 314 H ALA 107 H ALA 107 9.661 -3.021 2.230 315 HA ALA 107 HA ALA 107 11.019 -0.980 3.616 316 HB1 ALA 107 1HB ALA 107 12.149 -2.713 2.316 317 HB2 ALA 107 2HB ALA 107 12.630 -1.098 1.776 318 HB3 ALA 107 3HB ALA 107 11.460 -2.045 0.839 319 H TYR 108 H TYR 108 9.153 -0.990 0.627 320 HA TYR 108 HA TYR 108 9.491 1.645 -0.198 321 HB2 TYR 108 2HB TYR 108 8.478 0.051 -1.652 322 HB3 TYR 108 1HB TYR 108 7.191 -0.289 -0.507 323 HD1 TYR 108 1HD TYR 108 5.173 0.989 -0.546 324 HD2 TYR 108 2HD TYR 108 8.519 2.240 -2.833 325 HE1 TYR 108 1HE TYR 108 3.753 2.628 -1.711 326 HE2 TYR 108 2HE TYR 108 7.118 3.879 -4.002 327 HH TYR 108 HH TYR 108 3.960 4.669 -2.953 328 H HIS 109 H HIS 109 7.182 0.230 2.006 329 HA HIS 109 HA HIS 109 5.824 2.687 2.479 330 HB2 HIS 109 2HB HIS 109 5.666 -0.045 3.633 331 HB3 HIS 109 1HB HIS 109 4.817 1.233 4.463 332 HD1 HIS 109 1HD HIS 109 2.706 2.253 3.145 333 HD2 HIS 109 2HD HIS 109 4.663 -0.862 1.214 334 HE1 HIS 109 1HE HIS 109 1.215 1.547 1.270 335 H ALA 110 H ALA 110 8.406 0.973 4.103 336 HA ALA 110 HA ALA 110 8.334 2.614 6.433 337 HB1 ALA 110 1HB ALA 110 10.570 0.878 5.411 338 HB2 ALA 110 2HB ALA 110 9.244 0.336 6.438 339 HB3 ALA 110 3HB ALA 110 10.401 1.520 7.047 340 H ALA 111 H ALA 111 10.144 2.702 3.410 341 HA ALA 111 HA ALA 111 11.876 4.784 4.318 342 HB1 ALA 111 1HB ALA 111 12.729 4.819 2.045 343 HB2 ALA 111 2HB ALA 111 11.398 3.792 1.510 344 HB3 ALA 111 3HB ALA 111 12.604 3.158 2.630 345 H ASP 112 H ASP 112 11.202 6.753 4.630 346 HA ASP 112 HA ASP 112 9.025 7.837 3.098 347 HB2 ASP 112 2HB ASP 112 9.280 9.903 4.439 348 HB3 ASP 112 1HB ASP 112 9.174 8.491 5.471 Start of MODEL 12 1 H MET 65 1HT MET 65 18.909 -19.633 -13.583 2 HA MET 65 HA MET 65 17.456 -19.140 -15.477 3 HB2 MET 65 2HB MET 65 16.067 -20.650 -13.233 4 HB3 MET 65 1HB MET 65 15.573 -20.688 -14.917 5 HG2 MET 65 2HG MET 65 17.656 -21.725 -15.552 6 HG3 MET 65 1HG MET 65 18.247 -21.622 -13.895 7 HE1 MET 65 1HE MET 65 18.855 -24.217 -14.038 8 HE2 MET 65 2HE MET 65 18.235 -24.267 -15.687 9 HE3 MET 65 3HE MET 65 17.691 -25.458 -14.507 10 H SER 66 H SER 66 15.544 -18.267 -16.272 11 HA SER 66 HA SER 66 14.334 -16.300 -14.479 12 HB2 SER 66 2HB SER 66 14.762 -16.137 -17.464 13 HB3 SER 66 1HB SER 66 14.114 -14.860 -16.431 14 HG SER 66 HG SER 66 16.502 -15.950 -15.653 15 H GLY 67 H GLY 67 12.111 -16.199 -14.436 16 HA2 GLY 67 2HA GLY 67 10.429 -17.262 -16.423 17 HA3 GLY 67 1HA GLY 67 10.555 -18.360 -15.045 18 H SER 68 H SER 68 8.105 -17.412 -15.344 19 HA SER 68 HA SER 68 7.979 -15.121 -13.574 20 HB2 SER 68 2HB SER 68 5.605 -14.973 -14.380 21 HB3 SER 68 1HB SER 68 6.810 -14.755 -15.647 22 HG SER 68 HG SER 68 4.868 -16.305 -15.810 23 H GLY 69 H GLY 69 6.053 -17.985 -14.180 24 HA2 GLY 69 2HA GLY 69 5.884 -19.716 -12.462 25 HA3 GLY 69 1HA GLY 69 5.968 -18.421 -11.268 26 H ARG 70 H ARG 70 3.946 -20.509 -12.591 27 HA ARG 70 HA ARG 70 1.786 -18.688 -13.058 28 HB2 ARG 70 2HB ARG 70 1.961 -20.536 -14.586 29 HB3 ARG 70 1HB ARG 70 1.895 -21.693 -13.268 30 HG2 ARG 70 2HG ARG 70 -0.385 -21.288 -12.884 31 HG3 ARG 70 1HG ARG 70 -0.363 -19.811 -13.854 32 HD2 ARG 70 2HD ARG 70 0.168 -22.561 -14.945 33 HD3 ARG 70 1HD ARG 70 -1.407 -21.766 -14.988 34 HE ARG 70 HE ARG 70 -0.183 -19.935 -16.208 35 HH11 ARG 70 1HH1 ARG 70 0.868 -23.297 -16.457 36 HH12 ARG 70 2HH1 ARG 70 1.393 -23.200 -18.063 37 HH21 ARG 70 1HH2 ARG 70 0.581 -19.729 -18.376 38 HH22 ARG 70 2HH2 ARG 70 1.269 -21.028 -19.224 39 H GLY 71 H GLY 71 1.458 -17.757 -11.250 40 HA2 GLY 71 2HA GLY 71 -0.382 -18.937 -9.447 41 HA3 GLY 71 1HA GLY 71 1.191 -18.594 -8.705 42 H ARG 72 H ARG 72 -1.026 -17.188 -7.877 43 HA ARG 72 HA ARG 72 -0.563 -14.637 -9.209 44 HB2 ARG 72 2HB ARG 72 -3.026 -15.520 -7.701 45 HB3 ARG 72 1HB ARG 72 -2.784 -13.914 -8.355 46 HG2 ARG 72 2HG ARG 72 -2.909 -16.439 -10.015 47 HG3 ARG 72 1HG ARG 72 -4.273 -15.368 -9.726 48 HD2 ARG 72 2HD ARG 72 -3.417 -14.826 -11.888 49 HD3 ARG 72 1HD ARG 72 -2.916 -13.533 -10.813 50 HE ARG 72 HE ARG 72 -0.785 -15.229 -10.825 51 HH11 ARG 72 1HH1 ARG 72 -2.547 -13.610 -13.449 52 HH12 ARG 72 2HH1 ARG 72 -1.195 -13.574 -14.485 53 HH21 ARG 72 1HH2 ARG 72 1.027 -15.125 -12.222 54 HH22 ARG 72 2HH2 ARG 72 0.879 -14.454 -13.784 55 H GLY 73 H GLY 73 0.889 -13.589 -8.094 56 HA2 GLY 73 2HA GLY 73 0.570 -13.448 -5.161 57 HA3 GLY 73 1HA GLY 73 2.143 -13.718 -5.892 58 H ALA 74 H ALA 74 0.211 -11.666 -7.745 59 HA ALA 74 HA ALA 74 1.713 -9.403 -6.717 60 HB1 ALA 74 1HB ALA 74 0.258 -9.720 -9.354 61 HB2 ALA 74 2HB ALA 74 1.998 -9.873 -9.129 62 HB3 ALA 74 3HB ALA 74 1.208 -8.319 -8.863 63 H ILE 75 H ILE 75 0.529 -8.781 -5.045 64 HA ILE 75 HA ILE 75 -2.271 -8.744 -5.142 65 HB ILE 75 HB ILE 75 -0.376 -7.415 -3.227 66 HG12 ILE 75 2HG1 ILE 75 -0.336 -9.840 -3.150 67 HG13 ILE 75 1HG1 ILE 75 -1.057 -9.176 -1.677 68 HG21 ILE 75 1HG2 ILE 75 -2.297 -7.069 -1.712 69 HG22 ILE 75 2HG2 ILE 75 -3.379 -7.641 -2.980 70 HG23 ILE 75 3HG2 ILE 75 -2.460 -6.155 -3.215 71 HD11 ILE 75 1HD1 ILE 75 -2.524 -10.440 -3.991 72 HD12 ILE 75 2HD1 ILE 75 -3.289 -9.704 -2.583 73 HD13 ILE 75 3HD1 ILE 75 -2.284 -11.134 -2.385 74 H ASP 76 H ASP 76 -3.396 -7.452 -6.045 75 HA ASP 76 HA ASP 76 -2.354 -4.988 -7.176 76 HB2 ASP 76 2HB ASP 76 -3.714 -6.366 -8.662 77 HB3 ASP 76 1HB ASP 76 -5.080 -6.230 -7.552 78 H ARG 77 H ARG 77 -2.444 -3.235 -6.159 79 HA ARG 77 HA ARG 77 -4.755 -2.492 -4.539 80 HB2 ARG 77 2HB ARG 77 -2.798 -3.516 -3.118 81 HB3 ARG 77 1HB ARG 77 -1.921 -2.081 -3.653 82 HG2 ARG 77 2HG ARG 77 -3.443 -0.634 -2.534 83 HG3 ARG 77 1HG ARG 77 -4.445 -2.005 -2.050 84 HD2 ARG 77 2HD ARG 77 -2.961 -1.213 -0.249 85 HD3 ARG 77 1HD ARG 77 -2.670 -2.891 -0.698 86 HE ARG 77 HE ARG 77 -0.750 -2.084 -1.988 87 HH11 ARG 77 1HH1 ARG 77 -1.996 0.091 0.520 88 HH12 ARG 77 2HH1 ARG 77 -0.515 0.775 0.911 89 HH21 ARG 77 1HH2 ARG 77 1.299 -1.153 -1.491 90 HH22 ARG 77 2HH2 ARG 77 1.475 -0.029 -0.216 91 H GLU 78 H GLU 78 -4.291 -0.009 -4.030 92 HA GLU 78 HA GLU 78 -3.840 1.303 -6.458 93 HB2 GLU 78 2HB GLU 78 -5.161 2.164 -4.544 94 HB3 GLU 78 1HB GLU 78 -3.641 2.435 -3.704 95 HG2 GLU 78 2HG GLU 78 -4.537 4.502 -4.739 96 HG3 GLU 78 1HG GLU 78 -2.939 4.052 -5.347 97 H GLN 79 H GLN 79 -1.754 1.273 -3.513 98 HA GLN 79 HA GLN 79 0.406 2.089 -5.244 99 HB2 GLN 79 2HB GLN 79 0.473 1.513 -2.271 100 HB3 GLN 79 1HB GLN 79 1.814 2.137 -3.213 101 HG2 GLN 79 2HG GLN 79 0.320 4.106 -3.781 102 HG3 GLN 79 1HG GLN 79 -0.764 3.510 -2.525 103 HE21 GLN 79 1HE2 GLN 79 -0.052 3.572 -0.334 104 HE22 GLN 79 2HE2 GLN 79 1.285 4.567 0.104 105 H SER 80 H SER 80 0.718 0.427 -6.576 106 HA SER 80 HA SER 80 2.099 -1.838 -5.399 107 HB2 SER 80 2HB SER 80 0.884 -3.371 -7.006 108 HB3 SER 80 1HB SER 80 -0.112 -2.731 -5.698 109 HG SER 80 HG SER 80 -1.180 -1.454 -7.098 110 H ALA 81 H ALA 81 1.073 -0.489 -8.539 111 HA ALA 81 HA ALA 81 3.331 -1.324 -9.970 112 HB1 ALA 81 1HB ALA 81 1.585 1.080 -10.535 113 HB2 ALA 81 2HB ALA 81 1.247 -0.572 -11.046 114 HB3 ALA 81 3HB ALA 81 2.653 0.277 -11.687 115 H ALA 82 H ALA 82 2.672 1.583 -8.166 116 HA ALA 82 HA ALA 82 4.960 3.066 -8.720 117 HB1 ALA 82 1HB ALA 82 4.499 4.227 -6.623 118 HB2 ALA 82 2HB ALA 82 3.379 2.946 -6.154 119 HB3 ALA 82 3HB ALA 82 3.022 3.968 -7.546 120 H ILE 83 H ILE 83 4.385 0.463 -6.423 121 HA ILE 83 HA ILE 83 6.831 0.709 -5.005 122 HB ILE 83 HB ILE 83 5.117 -1.780 -5.355 123 HG12 ILE 83 2HG1 ILE 83 5.060 0.352 -3.205 124 HG13 ILE 83 1HG1 ILE 83 3.809 0.057 -4.406 125 HG21 ILE 83 1HG2 ILE 83 7.362 -2.305 -4.548 126 HG22 ILE 83 2HG2 ILE 83 6.172 -2.555 -3.272 127 HG23 ILE 83 3HG2 ILE 83 7.190 -1.115 -3.257 128 HD11 ILE 83 1HD1 ILE 83 4.631 -1.823 -2.200 129 HD12 ILE 83 2HD1 ILE 83 3.370 -2.129 -3.394 130 HD13 ILE 83 3HD1 ILE 83 3.181 -0.818 -2.228 131 H ARG 84 H ARG 84 5.780 -1.068 -7.811 132 HA ARG 84 HA ARG 84 8.092 -2.636 -8.260 133 HB2 ARG 84 2HB ARG 84 6.204 -1.496 -10.345 134 HB3 ARG 84 1HB ARG 84 7.303 -2.840 -10.581 135 HG2 ARG 84 2HG ARG 84 6.035 -4.211 -9.064 136 HG3 ARG 84 1HG ARG 84 5.005 -2.844 -8.635 137 HD2 ARG 84 2HD ARG 84 3.806 -4.223 -10.204 138 HD3 ARG 84 1HD ARG 84 4.266 -2.728 -11.012 139 HE ARG 84 HE ARG 84 5.804 -5.202 -11.338 140 HH11 ARG 84 1HH1 ARG 84 4.066 -2.478 -12.806 141 HH12 ARG 84 2HH1 ARG 84 4.424 -2.949 -14.389 142 HH21 ARG 84 1HH2 ARG 84 6.271 -5.802 -13.503 143 HH22 ARG 84 2HH2 ARG 84 5.694 -4.884 -14.815 144 H GLU 85 H GLU 85 7.142 0.564 -9.383 145 HA GLU 85 HA GLU 85 9.476 1.009 -10.937 146 HB2 GLU 85 2HB GLU 85 7.580 3.043 -9.773 147 HB3 GLU 85 1HB GLU 85 8.764 3.355 -11.041 148 HG2 GLU 85 2HG GLU 85 7.606 1.591 -12.386 149 HG3 GLU 85 1HG GLU 85 6.341 1.612 -11.160 150 H TRP 86 H TRP 86 8.549 1.981 -7.681 151 HA TRP 86 HA TRP 86 10.819 3.440 -6.972 152 HB2 TRP 86 2HB TRP 86 8.784 3.415 -5.629 153 HB3 TRP 86 1HB TRP 86 8.975 1.698 -5.319 154 HD1 TRP 86 HD TRP 86 10.283 5.113 -4.205 155 HE1 TRP 86 1HE TRP 86 11.554 4.832 -2.010 156 HE3 TRP 86 3HE TRP 86 10.326 0.022 -3.991 157 HZ2 TRP 86 2HZ TRP 86 12.482 2.663 -0.367 158 HZ3 TRP 86 3HZ TRP 86 11.425 -1.080 -2.099 159 HH2 TRP 86 HH TRP 86 12.480 0.221 -0.317 160 H ALA 87 H ALA 87 10.139 -0.011 -6.811 161 HA ALA 87 HA ALA 87 12.486 -0.864 -5.566 162 HB1 ALA 87 1HB ALA 87 10.532 -2.266 -5.822 163 HB2 ALA 87 2HB ALA 87 11.916 -3.052 -6.598 164 HB3 ALA 87 3HB ALA 87 10.699 -2.216 -7.568 165 H ARG 88 H ARG 88 11.660 -0.610 -9.022 166 HA ARG 88 HA ARG 88 14.183 -1.438 -10.008 167 HB2 ARG 88 2HB ARG 88 12.268 0.472 -11.323 168 HB3 ARG 88 1HB ARG 88 13.565 -0.391 -12.122 169 HG2 ARG 88 2HG ARG 88 12.393 -2.509 -11.612 170 HG3 ARG 88 1HG ARG 88 11.062 -1.562 -10.933 171 HD2 ARG 88 2HD ARG 88 12.035 -1.643 -13.781 172 HD3 ARG 88 1HD ARG 88 10.432 -2.035 -13.157 173 HE ARG 88 HE ARG 88 11.504 0.687 -12.988 174 HH11 ARG 88 1HH1 ARG 88 8.916 -1.489 -14.102 175 HH12 ARG 88 2HH1 ARG 88 7.983 -0.233 -14.758 176 HH21 ARG 88 1HH2 ARG 88 10.156 2.397 -13.872 177 HH22 ARG 88 2HH2 ARG 88 8.679 1.981 -14.613 178 H ARG 89 H ARG 89 12.892 1.710 -9.162 179 HA ARG 89 HA ARG 89 14.907 3.440 -9.989 180 HB2 ARG 89 2HB ARG 89 12.716 4.113 -9.050 181 HB3 ARG 89 1HB ARG 89 13.229 3.549 -7.472 182 HG2 ARG 89 2HG ARG 89 15.045 5.270 -7.548 183 HG3 ARG 89 1HG ARG 89 14.299 5.898 -9.019 184 HD2 ARG 89 2HD ARG 89 13.000 5.686 -6.297 185 HD3 ARG 89 1HD ARG 89 13.550 7.163 -7.079 186 HE ARG 89 HE ARG 89 11.765 6.031 -8.826 187 HH11 ARG 89 1HH1 ARG 89 11.613 7.359 -5.519 188 HH12 ARG 89 2HH1 ARG 89 9.943 7.701 -5.599 189 HH21 ARG 89 1HH2 ARG 89 9.445 6.563 -8.910 190 HH22 ARG 89 2HH2 ARG 89 8.714 7.240 -7.542 191 H ASN 90 H ASN 90 14.547 1.649 -6.970 192 HA ASN 90 HA ASN 90 17.062 2.533 -5.898 193 HB2 ASN 90 2HB ASN 90 14.997 0.585 -4.964 194 HB3 ASN 90 1HB ASN 90 16.547 0.651 -4.154 195 HD21 ASN 90 1HD2 ASN 90 13.563 2.245 -4.764 196 HD22 ASN 90 2HD2 ASN 90 13.780 3.508 -3.603 197 H GLY 91 H GLY 91 16.061 -0.050 -7.866 198 HA2 GLY 91 2HA GLY 91 17.669 -1.185 -9.203 199 HA3 GLY 91 1HA GLY 91 18.852 -0.951 -7.922 200 H HIS 92 H HIS 92 15.626 -2.017 -7.236 201 HA HIS 92 HA HIS 92 16.696 -4.537 -6.248 202 HB2 HIS 92 2HB HIS 92 13.835 -3.540 -6.202 203 HB3 HIS 92 1HB HIS 92 14.471 -4.906 -5.309 204 HD1 HIS 92 1HD HIS 92 17.032 -2.795 -4.366 205 HD2 HIS 92 2HD HIS 92 12.917 -2.555 -3.773 206 HE1 HIS 92 1HE HIS 92 16.672 -1.262 -2.406 207 H ASN 93 H ASN 93 16.098 -6.509 -7.189 208 HA ASN 93 HA ASN 93 15.034 -6.247 -9.870 209 HB2 ASN 93 2HB ASN 93 16.257 -8.618 -8.459 210 HB3 ASN 93 1HB ASN 93 15.583 -8.698 -10.080 211 HD21 ASN 93 1HD2 ASN 93 18.250 -9.208 -9.170 212 HD22 ASN 93 2HD2 ASN 93 19.306 -8.142 -10.029 213 H VAL 94 H VAL 94 13.031 -5.642 -9.232 214 HA VAL 94 HA VAL 94 11.322 -7.767 -8.152 215 HB VAL 94 HB VAL 94 10.947 -4.744 -8.169 216 HG11 VAL 94 1HG1 VAL 94 8.892 -5.116 -6.865 217 HG12 VAL 94 2HG1 VAL 94 9.068 -6.858 -7.097 218 HG13 VAL 94 3HG1 VAL 94 8.770 -5.813 -8.479 219 HG21 VAL 94 1HG2 VAL 94 11.045 -4.964 -5.735 220 HG22 VAL 94 2HG2 VAL 94 12.524 -5.539 -6.508 221 HG23 VAL 94 3HG2 VAL 94 11.334 -6.696 -5.910 222 H SER 95 H SER 95 9.418 -8.253 -9.222 223 HA SER 95 HA SER 95 7.968 -8.540 -10.855 224 HB2 SER 95 2HB SER 95 7.712 -6.082 -11.020 225 HB3 SER 95 1HB SER 95 9.080 -6.015 -12.131 226 HG SER 95 HG SER 95 7.809 -7.552 -13.401 227 H THR 96 H THR 96 10.777 -9.433 -10.842 228 HA THR 96 HA THR 96 11.492 -9.907 -13.535 229 HB THR 96 HB THR 96 13.033 -11.571 -12.348 230 HG1 THR 96 1HG THR 96 13.009 -11.498 -10.129 231 HG21 THR 96 1HG2 THR 96 13.718 -9.277 -12.940 232 HG22 THR 96 2HG2 THR 96 14.401 -9.763 -11.382 233 HG23 THR 96 3HG2 THR 96 12.986 -8.700 -11.444 234 H ARG 97 H ARG 97 10.002 -11.716 -10.916 235 HA ARG 97 HA ARG 97 9.134 -13.755 -12.794 236 HB2 ARG 97 2HB ARG 97 9.036 -13.640 -9.779 237 HB3 ARG 97 1HB ARG 97 8.259 -14.911 -10.705 238 HG2 ARG 97 2HG ARG 97 10.460 -15.503 -11.672 239 HG3 ARG 97 1HG ARG 97 11.204 -14.296 -10.619 240 HD2 ARG 97 2HD ARG 97 11.353 -16.578 -9.703 241 HD3 ARG 97 1HD ARG 97 10.443 -15.491 -8.654 242 HE ARG 97 HE ARG 97 8.622 -16.747 -10.321 243 HH11 ARG 97 1HH1 ARG 97 10.974 -17.818 -7.891 244 HH12 ARG 97 2HH1 ARG 97 9.980 -19.033 -7.241 245 HH21 ARG 97 1HH2 ARG 97 7.243 -18.472 -9.414 246 HH22 ARG 97 2HH2 ARG 97 7.845 -19.409 -8.140 247 H GLY 98 H GLY 98 8.129 -10.913 -11.634 248 HA2 GLY 98 2HA GLY 98 6.118 -9.805 -12.181 249 HA3 GLY 98 1HA GLY 98 5.399 -11.369 -12.534 250 H ARG 99 H ARG 99 7.078 -10.636 -9.545 251 HA ARG 99 HA ARG 99 4.510 -10.426 -8.197 252 HB2 ARG 99 2HB ARG 99 5.322 -12.803 -8.065 253 HB3 ARG 99 1HB ARG 99 6.773 -12.227 -7.262 254 HG2 ARG 99 2HG ARG 99 5.468 -11.442 -5.383 255 HG3 ARG 99 1HG ARG 99 3.972 -11.876 -6.207 256 HD2 ARG 99 2HD ARG 99 4.739 -14.237 -6.213 257 HD3 ARG 99 1HD ARG 99 6.130 -13.744 -5.248 258 HE ARG 99 HE ARG 99 3.806 -12.840 -3.973 259 HH11 ARG 99 1HH1 ARG 99 5.382 -15.922 -4.681 260 HH12 ARG 99 2HH1 ARG 99 4.721 -16.722 -3.321 261 HH21 ARG 99 1HH2 ARG 99 2.855 -13.948 -2.178 262 HH22 ARG 99 2HH2 ARG 99 3.214 -15.587 -1.885 263 H ILE 100 H ILE 100 4.717 -9.349 -6.096 264 HA ILE 100 HA ILE 100 7.076 -7.623 -6.071 265 HB ILE 100 HB ILE 100 4.347 -7.088 -4.856 266 HG12 ILE 100 2HG1 ILE 100 5.615 -5.868 -7.328 267 HG13 ILE 100 1HG1 ILE 100 4.323 -7.062 -7.351 268 HG21 ILE 100 1HG2 ILE 100 6.193 -6.028 -3.667 269 HG22 ILE 100 2HG2 ILE 100 5.215 -4.814 -4.498 270 HG23 ILE 100 3HG2 ILE 100 6.773 -5.309 -5.169 271 HD11 ILE 100 1HD1 ILE 100 4.157 -4.284 -6.197 272 HD12 ILE 100 2HD1 ILE 100 2.850 -5.469 -6.210 273 HD13 ILE 100 3HD1 ILE 100 3.465 -4.820 -7.729 274 HA PRO 101 HA PRO 101 8.116 -9.902 -2.253 275 HB2 PRO 101 2HB PRO 101 10.075 -7.691 -2.208 276 HB3 PRO 101 1HB PRO 101 10.351 -9.439 -2.066 277 HG2 PRO 101 2HG PRO 101 11.034 -8.198 -4.269 278 HG3 PRO 101 1HG PRO 101 10.265 -9.800 -4.332 279 HD2 PRO 101 2HD PRO 101 9.070 -7.126 -4.877 280 HD3 PRO 101 1HD PRO 101 8.827 -8.678 -5.711 281 H ALA 102 H ALA 102 7.187 -9.658 -0.491 282 HA ALA 102 HA ALA 102 5.835 -7.340 0.369 283 HB1 ALA 102 1HB ALA 102 5.448 -8.571 2.439 284 HB2 ALA 102 2HB ALA 102 6.675 -9.749 1.977 285 HB3 ALA 102 3HB ALA 102 5.186 -9.617 1.040 286 H ASP 103 H ASP 103 8.996 -8.657 0.945 287 HA ASP 103 HA ASP 103 9.875 -7.036 3.091 288 HB2 ASP 103 2HB ASP 103 11.650 -7.724 0.739 289 HB3 ASP 103 1HB ASP 103 12.135 -7.473 2.406 290 H VAL 104 H VAL 104 9.780 -6.589 -0.380 291 HA VAL 104 HA VAL 104 11.030 -4.032 -0.403 292 HB VAL 104 HB VAL 104 9.420 -5.543 -2.478 293 HG11 VAL 104 1HG1 VAL 104 10.019 -3.793 -4.110 294 HG12 VAL 104 2HG1 VAL 104 10.648 -2.793 -2.789 295 HG13 VAL 104 3HG1 VAL 104 8.932 -3.214 -2.850 296 HG21 VAL 104 1HG2 VAL 104 11.560 -5.645 -3.634 297 HG22 VAL 104 2HG2 VAL 104 11.706 -6.301 -2.000 298 HG23 VAL 104 3HG2 VAL 104 12.301 -4.682 -2.361 299 H ILE 105 H ILE 105 7.697 -5.112 -0.372 300 HA ILE 105 HA ILE 105 6.474 -2.594 -0.623 301 HB ILE 105 HB ILE 105 5.454 -5.036 0.862 302 HG12 ILE 105 2HG1 ILE 105 4.977 -4.071 -1.961 303 HG13 ILE 105 1HG1 ILE 105 6.023 -5.396 -1.512 304 HG21 ILE 105 1HG2 ILE 105 3.206 -4.067 0.553 305 HG22 ILE 105 2HG2 ILE 105 3.926 -2.616 -0.143 306 HG23 ILE 105 3HG2 ILE 105 4.223 -3.023 1.543 307 HD11 ILE 105 1HD1 ILE 105 3.029 -5.297 -1.110 308 HD12 ILE 105 2HD1 ILE 105 4.078 -6.646 -0.661 309 HD13 ILE 105 3HD1 ILE 105 3.884 -6.206 -2.355 310 H ASP 106 H ASP 106 7.558 -4.346 2.271 311 HA ASP 106 HA ASP 106 6.644 -2.348 4.091 312 HB2 ASP 106 2HB ASP 106 7.054 -4.567 4.943 313 HB3 ASP 106 1HB ASP 106 8.723 -4.524 4.387 314 H ALA 107 H ALA 107 9.690 -2.916 2.453 315 HA ALA 107 HA ALA 107 11.151 -0.829 3.638 316 HB1 ALA 107 1HB ALA 107 11.372 -1.958 0.849 317 HB2 ALA 107 2HB ALA 107 12.164 -2.604 2.282 318 HB3 ALA 107 3HB ALA 107 12.617 -1.006 1.669 319 H TYR 108 H TYR 108 9.075 -0.911 0.796 320 HA TYR 108 HA TYR 108 9.347 1.728 -0.088 321 HB2 TYR 108 2HB TYR 108 8.319 0.054 -1.469 322 HB3 TYR 108 1HB TYR 108 7.059 -0.242 -0.287 323 HD1 TYR 108 1HD TYR 108 8.303 2.095 -2.848 324 HD2 TYR 108 2HD TYR 108 5.093 1.162 -0.222 325 HE1 TYR 108 1HE TYR 108 6.874 3.661 -4.059 326 HE2 TYR 108 2HE TYR 108 3.645 2.740 -1.425 327 HH TYR 108 HH TYR 108 3.769 4.606 -2.861 328 H HIS 109 H HIS 109 7.186 0.304 2.291 329 HA HIS 109 HA HIS 109 5.866 2.798 2.739 330 HB2 HIS 109 2HB HIS 109 5.614 0.086 3.954 331 HB3 HIS 109 1HB HIS 109 4.836 1.447 4.743 332 HD1 HIS 109 1HD HIS 109 2.692 2.362 3.602 333 HD2 HIS 109 2HD HIS 109 4.617 -0.586 1.404 334 HE1 HIS 109 1HE HIS 109 1.137 1.746 1.724 335 H ALA 110 H ALA 110 8.564 1.209 4.158 336 HA ALA 110 HA ALA 110 8.586 2.892 6.488 337 HB1 ALA 110 1HB ALA 110 10.706 1.837 7.009 338 HB2 ALA 110 2HB ALA 110 10.766 1.122 5.396 339 HB3 ALA 110 3HB ALA 110 9.511 0.627 6.534 340 H ALA 111 H ALA 111 10.115 2.914 3.343 341 HA ALA 111 HA ALA 111 11.774 5.193 4.055 342 HB1 ALA 111 1HB ALA 111 12.698 3.408 2.675 343 HB2 ALA 111 2HB ALA 111 12.711 4.963 1.838 344 HB3 ALA 111 3HB ALA 111 11.496 3.750 1.431 345 H ASP 112 H ASP 112 11.546 7.226 3.249 346 HA ASP 112 HA ASP 112 9.592 7.818 1.248 347 HB2 ASP 112 2HB ASP 112 8.158 7.972 3.216 348 HB3 ASP 112 1HB ASP 112 9.360 8.956 4.047 Start of MODEL 13 1 H MET 65 1HT MET 65 -0.381 -14.702 -11.082 2 HA MET 65 HA MET 65 2.197 -15.643 -12.163 3 HB2 MET 65 2HB MET 65 0.285 -16.564 -13.434 4 HB3 MET 65 1HB MET 65 -0.431 -14.969 -13.551 5 HG2 MET 65 2HG MET 65 0.605 -15.656 -15.653 6 HG3 MET 65 1HG MET 65 1.376 -14.229 -14.974 7 HE1 MET 65 1HE MET 65 2.711 -15.929 -17.282 8 HE2 MET 65 2HE MET 65 4.378 -16.016 -16.714 9 HE3 MET 65 3HE MET 65 3.469 -14.514 -16.552 10 H SER 66 H SER 66 3.159 -13.940 -13.602 11 HA SER 66 HA SER 66 3.428 -11.519 -12.294 12 HB2 SER 66 2HB SER 66 3.966 -12.112 -15.184 13 HB3 SER 66 1HB SER 66 4.789 -10.935 -14.154 14 HG SER 66 HG SER 66 5.294 -12.805 -12.804 15 H GLY 67 H GLY 67 1.617 -10.374 -11.987 16 HA2 GLY 67 2HA GLY 67 0.603 -8.786 -14.128 17 HA3 GLY 67 1HA GLY 67 -0.581 -9.942 -13.512 18 H SER 68 H SER 68 1.787 -7.630 -12.361 19 HA SER 68 HA SER 68 -0.145 -6.783 -10.353 20 HB2 SER 68 2HB SER 68 2.798 -7.270 -9.863 21 HB3 SER 68 1HB SER 68 1.627 -6.678 -8.681 22 HG SER 68 HG SER 68 0.554 -8.822 -9.614 23 H GLY 69 H GLY 69 -0.580 -4.765 -10.814 24 HA2 GLY 69 2HA GLY 69 0.120 -2.492 -10.626 25 HA3 GLY 69 1HA GLY 69 1.646 -2.950 -11.371 26 H ARG 70 H ARG 70 -1.697 -3.616 -12.297 27 HA ARG 70 HA ARG 70 -1.084 -2.557 -14.941 28 HB2 ARG 70 2HB ARG 70 -2.195 -4.781 -14.711 29 HB3 ARG 70 1HB ARG 70 -3.565 -3.967 -13.966 30 HG2 ARG 70 2HG ARG 70 -4.269 -4.219 -16.160 31 HG3 ARG 70 1HG ARG 70 -3.632 -2.577 -16.151 32 HD2 ARG 70 2HD ARG 70 -2.266 -5.068 -17.175 33 HD3 ARG 70 1HD ARG 70 -2.895 -3.738 -18.136 34 HE ARG 70 HE ARG 70 -1.105 -2.403 -16.817 35 HH11 ARG 70 1HH1 ARG 70 -0.777 -5.646 -18.212 36 HH12 ARG 70 2HH1 ARG 70 0.918 -5.626 -18.213 37 HH21 ARG 70 1HH2 ARG 70 1.229 -2.376 -16.808 38 HH22 ARG 70 2HH2 ARG 70 2.086 -3.720 -17.377 39 H GLY 71 H GLY 71 -1.326 -0.365 -14.888 40 HA2 GLY 71 2HA GLY 71 -3.633 0.847 -15.207 41 HA3 GLY 71 1HA GLY 71 -3.586 0.708 -13.459 42 H ARG 72 H ARG 72 -3.758 3.041 -14.566 43 HA ARG 72 HA ARG 72 -1.153 4.325 -14.761 44 HB2 ARG 72 2HB ARG 72 -3.972 5.418 -14.893 45 HB3 ARG 72 1HB ARG 72 -2.508 6.319 -15.268 46 HG2 ARG 72 2HG ARG 72 -2.059 4.935 -17.165 47 HG3 ARG 72 1HG ARG 72 -3.377 3.848 -16.737 48 HD2 ARG 72 2HD ARG 72 -4.996 5.577 -17.154 49 HD3 ARG 72 1HD ARG 72 -3.716 6.754 -17.456 50 HE ARG 72 HE ARG 72 -3.073 5.097 -19.281 51 HH11 ARG 72 1HH1 ARG 72 -6.442 5.693 -18.323 52 HH12 ARG 72 2HH1 ARG 72 -7.059 5.526 -19.893 53 HH21 ARG 72 1HH2 ARG 72 -3.962 4.883 -21.471 54 HH22 ARG 72 2HH2 ARG 72 -5.633 5.051 -21.708 55 H GLY 73 H GLY 73 -4.040 4.205 -12.774 56 HA2 GLY 73 2HA GLY 73 -2.510 5.187 -10.516 57 HA3 GLY 73 1HA GLY 73 -4.066 5.929 -10.909 58 H ALA 74 H ALA 74 -3.446 4.498 -8.504 59 HA ALA 74 HA ALA 74 -5.583 2.580 -8.625 60 HB1 ALA 74 1HB ALA 74 -4.213 0.872 -7.454 61 HB2 ALA 74 2HB ALA 74 -2.775 1.865 -7.724 62 HB3 ALA 74 3HB ALA 74 -3.638 1.173 -9.092 63 H ILE 75 H ILE 75 -5.713 1.760 -6.204 64 HA ILE 75 HA ILE 75 -6.178 4.143 -4.782 65 HB ILE 75 HB ILE 75 -6.235 1.320 -3.659 66 HG12 ILE 75 2HG1 ILE 75 -8.786 1.665 -3.852 67 HG13 ILE 75 1HG1 ILE 75 -8.411 2.947 -4.983 68 HG21 ILE 75 1HG2 ILE 75 -7.632 2.259 -1.915 69 HG22 ILE 75 2HG2 ILE 75 -7.559 3.831 -2.711 70 HG23 ILE 75 3HG2 ILE 75 -6.097 3.134 -2.022 71 HD11 ILE 75 1HD1 ILE 75 -7.658 0.046 -5.342 72 HD12 ILE 75 2HD1 ILE 75 -7.382 1.349 -6.506 73 HD13 ILE 75 3HD1 ILE 75 -9.021 0.857 -6.104 74 H ASP 76 H ASP 76 -4.895 5.180 -3.516 75 HA ASP 76 HA ASP 76 -2.207 4.160 -3.426 76 HB2 ASP 76 2HB ASP 76 -2.358 6.374 -4.323 77 HB3 ASP 76 1HB ASP 76 -3.108 6.970 -2.847 78 H ARG 77 H ARG 77 -2.365 2.721 -2.061 79 HA ARG 77 HA ARG 77 -1.557 3.549 0.636 80 HB2 ARG 77 2HB ARG 77 -3.244 1.084 -0.031 81 HB3 ARG 77 1HB ARG 77 -2.363 1.270 1.465 82 HG2 ARG 77 2HG ARG 77 -4.659 1.627 1.850 83 HG3 ARG 77 1HG ARG 77 -3.844 3.188 2.010 84 HD2 ARG 77 2HD ARG 77 -4.562 3.793 -0.226 85 HD3 ARG 77 1HD ARG 77 -5.298 2.208 -0.424 86 HE ARG 77 HE ARG 77 -6.906 2.798 1.223 87 HH11 ARG 77 1HH1 ARG 77 -4.953 5.539 0.071 88 HH12 ARG 77 2HH1 ARG 77 -6.179 6.690 0.322 89 HH21 ARG 77 1HH2 ARG 77 -8.563 4.350 1.539 90 HH22 ARG 77 2HH2 ARG 77 -8.310 6.003 1.222 91 H GLU 78 H GLU 78 -2.032 0.864 -1.520 92 HA GLU 78 HA GLU 78 0.827 0.335 -1.623 93 HB2 GLU 78 2HB GLU 78 -0.376 -1.254 -0.193 94 HB3 GLU 78 1HB GLU 78 -1.503 -1.570 -1.487 95 HG2 GLU 78 2HG GLU 78 0.376 -2.484 -2.843 96 HG3 GLU 78 1HG GLU 78 1.432 -2.276 -1.444 97 H GLN 79 H GLN 79 0.952 1.421 -3.623 98 HA GLN 79 HA GLN 79 -0.727 0.353 -5.759 99 HB2 GLN 79 2HB GLN 79 1.217 2.655 -5.715 100 HB3 GLN 79 1HB GLN 79 0.422 2.095 -7.175 101 HG2 GLN 79 2HG GLN 79 -1.764 2.634 -6.123 102 HG3 GLN 79 1HG GLN 79 -0.883 3.270 -4.738 103 HE21 GLN 79 1HE2 GLN 79 0.133 5.234 -4.884 104 HE22 GLN 79 2HE2 GLN 79 -0.044 6.297 -6.214 105 H SER 80 H SER 80 0.039 -1.577 -6.335 106 HA SER 80 HA SER 80 2.576 -2.546 -5.993 107 HB2 SER 80 2HB SER 80 1.903 -4.226 -7.772 108 HB3 SER 80 1HB SER 80 0.795 -4.057 -6.408 109 HG SER 80 HG SER 80 -0.649 -3.622 -7.817 110 H ALA 81 H ALA 81 1.268 -0.966 -8.831 111 HA ALA 81 HA ALA 81 3.430 -1.218 -10.580 112 HB1 ALA 81 1HB ALA 81 2.507 0.702 -11.773 113 HB2 ALA 81 2HB ALA 81 1.497 1.096 -10.382 114 HB3 ALA 81 3HB ALA 81 1.223 -0.400 -11.274 115 H ALA 82 H ALA 82 2.657 1.488 -8.414 116 HA ALA 82 HA ALA 82 4.938 3.018 -8.970 117 HB1 ALA 82 1HB ALA 82 3.271 3.020 -6.459 118 HB2 ALA 82 2HB ALA 82 2.908 3.936 -7.922 119 HB3 ALA 82 3HB ALA 82 4.358 4.302 -6.983 120 H ILE 83 H ILE 83 4.310 0.530 -6.587 121 HA ILE 83 HA ILE 83 6.683 0.846 -5.116 122 HB ILE 83 HB ILE 83 4.969 -1.642 -5.479 123 HG12 ILE 83 2HG1 ILE 83 5.075 0.383 -3.232 124 HG13 ILE 83 1HG1 ILE 83 3.849 0.343 -4.486 125 HG21 ILE 83 1HG2 ILE 83 6.044 -2.480 -3.426 126 HG22 ILE 83 2HG2 ILE 83 7.113 -1.076 -3.415 127 HG23 ILE 83 3HG2 ILE 83 7.222 -2.255 -4.721 128 HD11 ILE 83 1HD1 ILE 83 3.112 -1.845 -3.689 129 HD12 ILE 83 2HD1 ILE 83 3.031 -0.611 -2.432 130 HD13 ILE 83 3HD1 ILE 83 4.349 -1.790 -2.425 131 H ARG 84 H ARG 84 5.948 -1.066 -8.009 132 HA ARG 84 HA ARG 84 8.447 -2.429 -8.230 133 HB2 ARG 84 2HB ARG 84 6.858 -1.346 -10.525 134 HB3 ARG 84 1HB ARG 84 8.029 -2.642 -10.589 135 HG2 ARG 84 2HG ARG 84 6.498 -4.068 -9.353 136 HG3 ARG 84 1HG ARG 84 5.332 -2.737 -9.262 137 HD2 ARG 84 2HD ARG 84 6.290 -4.219 -11.701 138 HD3 ARG 84 1HD ARG 84 4.633 -4.034 -11.117 139 HE ARG 84 HE ARG 84 6.187 -1.708 -12.001 140 HH11 ARG 84 1HH1 ARG 84 3.321 -3.740 -12.522 141 HH12 ARG 84 2HH1 ARG 84 2.596 -2.578 -13.537 142 HH21 ARG 84 1HH2 ARG 84 5.221 -0.236 -13.296 143 HH22 ARG 84 2HH2 ARG 84 3.694 -0.518 -14.011 144 H GLU 85 H GLU 85 7.215 0.594 -9.504 145 HA GLU 85 HA GLU 85 9.463 1.319 -11.026 146 HB2 GLU 85 2HB GLU 85 7.504 3.239 -9.747 147 HB3 GLU 85 1HB GLU 85 8.526 3.553 -11.137 148 HG2 GLU 85 2HG GLU 85 6.143 1.713 -10.991 149 HG3 GLU 85 1HG GLU 85 6.280 3.221 -11.885 150 H TRP 86 H TRP 86 8.490 2.224 -7.741 151 HA TRP 86 HA TRP 86 10.657 3.808 -7.015 152 HB2 TRP 86 2HB TRP 86 8.674 3.686 -5.630 153 HB3 TRP 86 1HB TRP 86 8.885 1.957 -5.399 154 HD1 TRP 86 HD TRP 86 10.295 5.314 -4.216 155 HE1 TRP 86 1HE TRP 86 11.613 4.932 -2.052 156 HE3 TRP 86 3HE TRP 86 10.110 0.232 -4.080 157 HZ2 TRP 86 2HZ TRP 86 12.480 2.720 -0.484 158 HZ3 TRP 86 3HZ TRP 86 11.212 -0.948 -2.210 159 HH2 TRP 86 HH TRP 86 12.364 0.281 -0.459 160 H ALA 87 H ALA 87 10.179 0.335 -6.744 161 HA ALA 87 HA ALA 87 12.586 -0.327 -5.491 162 HB1 ALA 87 1HB ALA 87 10.711 -1.834 -5.597 163 HB2 ALA 87 2HB ALA 87 12.100 -2.611 -6.384 164 HB3 ALA 87 3HB ALA 87 10.814 -1.872 -7.344 165 H ARG 88 H ARG 88 11.754 -0.140 -8.911 166 HA ARG 88 HA ARG 88 14.318 -0.961 -9.847 167 HB2 ARG 88 2HB ARG 88 12.189 0.663 -11.252 168 HB3 ARG 88 1HB ARG 88 13.581 -0.078 -12.034 169 HG2 ARG 88 2HG ARG 88 12.789 -2.283 -11.433 170 HG3 ARG 88 1HG ARG 88 11.438 -1.575 -10.552 171 HD2 ARG 88 2HD ARG 88 10.673 -2.347 -12.679 172 HD3 ARG 88 1HD ARG 88 10.637 -0.582 -12.659 173 HE ARG 88 HE ARG 88 12.962 -0.954 -13.787 174 HH11 ARG 88 1HH1 ARG 88 9.903 -2.600 -14.413 175 HH12 ARG 88 2HH1 ARG 88 10.288 -3.058 -16.005 176 HH21 ARG 88 1HH2 ARG 88 13.490 -1.549 -16.013 177 HH22 ARG 88 2HH2 ARG 88 12.375 -2.459 -16.917 178 H ARG 89 H ARG 89 12.878 2.125 -9.103 179 HA ARG 89 HA ARG 89 14.859 3.864 -10.017 180 HB2 ARG 89 2HB ARG 89 12.631 4.584 -9.279 181 HB3 ARG 89 1HB ARG 89 13.012 4.115 -7.635 182 HG2 ARG 89 2HG ARG 89 14.701 5.878 -7.521 183 HG3 ARG 89 1HG ARG 89 14.317 6.348 -9.183 184 HD2 ARG 89 2HD ARG 89 12.020 6.835 -8.521 185 HD3 ARG 89 1HD ARG 89 12.379 6.335 -6.873 186 HE ARG 89 HE ARG 89 14.155 8.367 -7.622 187 HH11 ARG 89 1HH1 ARG 89 10.724 7.953 -6.887 188 HH12 ARG 89 2HH1 ARG 89 10.502 9.514 -6.276 189 HH21 ARG 89 1HH2 ARG 89 13.859 10.537 -6.789 190 HH22 ARG 89 2HH2 ARG 89 12.342 11.028 -6.200 191 H ASN 90 H ASN 90 14.544 2.097 -7.018 192 HA ASN 90 HA ASN 90 17.026 3.140 -5.942 193 HB2 ASN 90 2HB ASN 90 15.138 1.011 -4.997 194 HB3 ASN 90 1HB ASN 90 16.657 1.284 -4.176 195 HD21 ASN 90 1HD2 ASN 90 13.490 2.415 -4.788 196 HD22 ASN 90 2HD2 ASN 90 13.488 3.697 -3.650 197 H GLY 91 H GLY 91 15.953 0.187 -7.458 198 HA2 GLY 91 2HA GLY 91 17.500 -0.998 -8.887 199 HA3 GLY 91 1HA GLY 91 18.781 -0.575 -7.752 200 H HIS 92 H HIS 92 15.541 -1.832 -7.143 201 HA HIS 92 HA HIS 92 16.768 -4.027 -5.631 202 HB2 HIS 92 2HB HIS 92 13.873 -3.136 -5.642 203 HB3 HIS 92 1HB HIS 92 14.582 -4.346 -4.592 204 HD1 HIS 92 1HD HIS 92 17.088 -2.514 -3.693 205 HD2 HIS 92 2HD HIS 92 13.081 -1.421 -3.729 206 HE1 HIS 92 1HE HIS 92 16.839 -0.613 -2.056 207 H ASN 93 H ASN 93 15.637 -6.107 -5.822 208 HA ASN 93 HA ASN 93 15.066 -6.646 -8.619 209 HB2 ASN 93 2HB ASN 93 15.582 -8.527 -6.297 210 HB3 ASN 93 1HB ASN 93 15.277 -9.035 -7.954 211 HD21 ASN 93 1HD2 ASN 93 17.598 -9.392 -6.197 212 HD22 ASN 93 2HD2 ASN 93 18.941 -8.769 -7.082 213 H VAL 94 H VAL 94 13.033 -6.257 -9.063 214 HA VAL 94 HA VAL 94 10.908 -6.793 -7.162 215 HB VAL 94 HB VAL 94 10.666 -5.988 -10.075 216 HG11 VAL 94 1HG1 VAL 94 8.723 -5.721 -7.799 217 HG12 VAL 94 2HG1 VAL 94 8.613 -6.852 -9.148 218 HG13 VAL 94 3HG1 VAL 94 8.473 -5.118 -9.437 219 HG21 VAL 94 1HG2 VAL 94 10.811 -4.188 -7.663 220 HG22 VAL 94 2HG2 VAL 94 10.435 -3.669 -9.307 221 HG23 VAL 94 3HG2 VAL 94 12.027 -4.328 -8.930 222 H SER 95 H SER 95 12.098 -7.840 -10.254 223 HA SER 95 HA SER 95 11.894 -9.622 -11.521 224 HB2 SER 95 2HB SER 95 12.597 -10.916 -9.507 225 HB3 SER 95 1HB SER 95 10.904 -11.073 -9.044 226 HG SER 95 HG SER 95 11.162 -12.866 -10.141 227 H THR 96 H THR 96 10.403 -8.938 -12.956 228 HA THR 96 HA THR 96 7.635 -9.029 -12.297 229 HB THR 96 HB THR 96 7.439 -8.351 -14.755 230 HG1 THR 96 1HG THR 96 9.180 -8.530 -15.844 231 HG21 THR 96 1HG2 THR 96 7.331 -6.746 -12.894 232 HG22 THR 96 2HG2 THR 96 8.188 -6.057 -14.269 233 HG23 THR 96 3HG2 THR 96 9.093 -6.650 -12.875 234 H ARG 97 H ARG 97 9.318 -11.453 -12.370 235 HA ARG 97 HA ARG 97 7.690 -13.072 -14.176 236 HB2 ARG 97 2HB ARG 97 10.453 -13.512 -13.050 237 HB3 ARG 97 1HB ARG 97 9.514 -14.856 -13.674 238 HG2 ARG 97 2HG ARG 97 11.008 -14.170 -15.401 239 HG3 ARG 97 1HG ARG 97 9.395 -13.633 -15.858 240 HD2 ARG 97 2HD ARG 97 9.991 -11.377 -14.928 241 HD3 ARG 97 1HD ARG 97 11.639 -11.964 -14.733 242 HE ARG 97 HE ARG 97 10.619 -12.310 -17.379 243 HH11 ARG 97 1HH1 ARG 97 12.228 -10.011 -15.212 244 HH12 ARG 97 2HH1 ARG 97 12.892 -9.069 -16.459 245 HH21 ARG 97 1HH2 ARG 97 11.501 -10.914 -19.139 246 HH22 ARG 97 2HH2 ARG 97 12.459 -9.585 -18.704 247 H GLY 98 H GLY 98 7.342 -11.851 -11.470 248 HA2 GLY 98 2HA GLY 98 5.923 -14.077 -10.318 249 HA3 GLY 98 1HA GLY 98 7.183 -13.353 -9.311 250 H ARG 99 H ARG 99 5.893 -12.360 -7.817 251 HA ARG 99 HA ARG 99 4.173 -10.220 -8.846 252 HB2 ARG 99 2HB ARG 99 4.030 -11.779 -6.263 253 HB3 ARG 99 1HB ARG 99 3.159 -10.280 -6.512 254 HG2 ARG 99 2HG ARG 99 2.013 -11.318 -8.436 255 HG3 ARG 99 1HG ARG 99 2.794 -12.846 -8.016 256 HD2 ARG 99 2HD ARG 99 0.512 -12.672 -7.087 257 HD3 ARG 99 1HD ARG 99 1.748 -12.833 -5.843 258 HE ARG 99 HE ARG 99 1.555 -10.448 -5.442 259 HH11 ARG 99 1HH1 ARG 99 -1.085 -11.863 -7.319 260 HH12 ARG 99 2HH1 ARG 99 -2.255 -10.761 -6.781 261 HH21 ARG 99 1HH2 ARG 99 -0.056 -8.885 -4.731 262 HH22 ARG 99 2HH2 ARG 99 -1.663 -9.036 -5.262 263 H ILE 100 H ILE 100 4.076 -8.857 -6.281 264 HA ILE 100 HA ILE 100 6.609 -7.474 -6.528 265 HB ILE 100 HB ILE 100 4.314 -6.854 -4.658 266 HG12 ILE 100 2HG1 ILE 100 3.422 -6.877 -6.932 267 HG13 ILE 100 1HG1 ILE 100 3.516 -5.229 -6.332 268 HG21 ILE 100 1HG2 ILE 100 5.231 -4.582 -4.673 269 HG22 ILE 100 2HG2 ILE 100 6.532 -5.127 -5.736 270 HG23 ILE 100 3HG2 ILE 100 6.396 -5.782 -4.101 271 HD11 ILE 100 1HD1 ILE 100 5.422 -6.546 -8.241 272 HD12 ILE 100 2HD1 ILE 100 5.561 -4.902 -7.609 273 HD13 ILE 100 3HD1 ILE 100 4.192 -5.337 -8.638 274 HA PRO 101 HA PRO 101 8.287 -9.668 -2.860 275 HB2 PRO 101 2HB PRO 101 10.132 -7.379 -2.788 276 HB3 PRO 101 1HB PRO 101 10.499 -9.105 -2.956 277 HG2 PRO 101 2HG PRO 101 10.836 -7.452 -4.989 278 HG3 PRO 101 1HG PRO 101 10.273 -9.118 -5.217 279 HD2 PRO 101 2HD PRO 101 8.701 -6.585 -5.310 280 HD3 PRO 101 1HD PRO 101 8.557 -8.059 -6.294 281 H ALA 102 H ALA 102 7.367 -9.582 -1.094 282 HA ALA 102 HA ALA 102 5.919 -7.500 0.035 283 HB1 ALA 102 1HB ALA 102 5.631 -9.854 0.627 284 HB2 ALA 102 2HB ALA 102 5.851 -8.836 2.052 285 HB3 ALA 102 3HB ALA 102 7.186 -9.832 1.460 286 H ASP 103 H ASP 103 9.255 -8.520 0.566 287 HA ASP 103 HA ASP 103 9.751 -6.724 2.678 288 HB2 ASP 103 2HB ASP 103 11.225 -8.667 2.131 289 HB3 ASP 103 1HB ASP 103 11.779 -7.772 0.712 290 H VAL 104 H VAL 104 9.828 -6.423 -0.786 291 HA VAL 104 HA VAL 104 11.067 -3.852 -0.762 292 HB VAL 104 HB VAL 104 9.620 -5.446 -2.872 293 HG11 VAL 104 1HG1 VAL 104 10.041 -3.652 -4.508 294 HG12 VAL 104 2HG1 VAL 104 10.601 -2.601 -3.202 295 HG13 VAL 104 3HG1 VAL 104 8.917 -3.146 -3.248 296 HG21 VAL 104 1HG2 VAL 104 11.789 -5.302 -4.007 297 HG22 VAL 104 2HG2 VAL 104 11.954 -5.974 -2.382 298 HG23 VAL 104 3HG2 VAL 104 12.403 -4.299 -2.696 299 H ILE 105 H ILE 105 7.760 -4.993 -0.741 300 HA ILE 105 HA ILE 105 6.458 -2.497 -0.950 301 HB ILE 105 HB ILE 105 5.564 -5.011 0.507 302 HG12 ILE 105 2HG1 ILE 105 4.942 -4.006 -2.268 303 HG13 ILE 105 1HG1 ILE 105 6.060 -5.298 -1.893 304 HG21 ILE 105 1HG2 ILE 105 3.930 -2.622 -0.376 305 HG22 ILE 105 2HG2 ILE 105 4.277 -3.091 1.287 306 HG23 ILE 105 3HG2 ILE 105 3.273 -4.126 0.271 307 HD11 ILE 105 1HD1 ILE 105 4.207 -6.642 -0.999 308 HD12 ILE 105 2HD1 ILE 105 3.902 -6.166 -2.668 309 HD13 ILE 105 3HD1 ILE 105 3.089 -5.325 -1.347 310 H ASP 106 H ASP 106 7.521 -4.356 1.841 311 HA ASP 106 HA ASP 106 6.696 -2.514 3.833 312 HB2 ASP 106 2HB ASP 106 7.137 -4.769 4.490 313 HB3 ASP 106 1HB ASP 106 8.746 -4.724 3.790 314 H ALA 107 H ALA 107 9.760 -2.978 2.158 315 HA ALA 107 HA ALA 107 11.220 -0.949 3.403 316 HB1 ALA 107 1HB ALA 107 12.658 -1.048 1.419 317 HB2 ALA 107 2HB ALA 107 11.388 -1.951 0.574 318 HB3 ALA 107 3HB ALA 107 12.196 -2.671 1.957 319 H TYR 108 H TYR 108 9.161 -0.891 0.539 320 HA TYR 108 HA TYR 108 9.420 1.748 -0.260 321 HB2 TYR 108 2HB TYR 108 8.245 0.163 -1.638 322 HB3 TYR 108 1HB TYR 108 7.081 -0.170 -0.372 323 HD1 TYR 108 1HD TYR 108 8.010 2.091 -3.089 324 HD2 TYR 108 2HD TYR 108 5.236 1.383 0.055 325 HE1 TYR 108 1HE TYR 108 6.478 3.715 -4.088 326 HE2 TYR 108 2HE TYR 108 3.688 3.009 -0.922 327 HH TYR 108 HH TYR 108 3.944 5.006 -2.352 328 H HIS 109 H HIS 109 7.079 0.335 1.947 329 HA HIS 109 HA HIS 109 5.825 2.744 2.618 330 HB2 HIS 109 2HB HIS 109 5.848 0.038 3.824 331 HB3 HIS 109 1HB HIS 109 5.025 1.325 4.683 332 HD1 HIS 109 1HD HIS 109 2.832 2.240 3.531 333 HD2 HIS 109 2HD HIS 109 4.655 -0.911 1.574 334 HE1 HIS 109 1HE HIS 109 1.113 1.338 1.923 335 H ALA 110 H ALA 110 8.614 1.147 3.954 336 HA ALA 110 HA ALA 110 8.690 2.879 6.267 337 HB1 ALA 110 1HB ALA 110 10.738 1.683 6.843 338 HB2 ALA 110 2HB ALA 110 10.722 0.885 5.271 339 HB3 ALA 110 3HB ALA 110 9.442 0.555 6.440 340 H ALA 111 H ALA 111 9.855 2.957 3.052 341 HA ALA 111 HA ALA 111 12.130 4.591 3.542 342 HB1 ALA 111 1HB ALA 111 11.983 3.150 1.577 343 HB2 ALA 111 2HB ALA 111 12.274 4.835 1.138 344 HB3 ALA 111 3HB ALA 111 10.663 4.140 0.956 345 H ASP 112 H ASP 112 11.942 6.461 4.339 346 HA ASP 112 HA ASP 112 10.194 8.403 3.045 347 HB2 ASP 112 2HB ASP 112 9.301 7.912 5.299 348 HB3 ASP 112 1HB ASP 112 10.888 8.243 5.996 Start of MODEL 14 1 H MET 65 1HT MET 65 8.011 -19.673 -18.614 2 HA MET 65 HA MET 65 5.873 -20.252 -16.637 3 HB2 MET 65 2HB MET 65 7.848 -22.141 -17.965 4 HB3 MET 65 1HB MET 65 6.729 -22.578 -16.689 5 HG2 MET 65 2HG MET 65 4.849 -22.145 -18.119 6 HG3 MET 65 1HG MET 65 5.909 -21.558 -19.394 7 HE1 MET 65 1HE MET 65 4.836 -23.131 -21.162 8 HE2 MET 65 2HE MET 65 3.698 -23.724 -19.955 9 HE3 MET 65 3HE MET 65 4.603 -24.864 -20.949 10 H SER 66 H SER 66 9.386 -19.995 -17.238 11 HA SER 66 HA SER 66 9.991 -20.525 -14.519 12 HB2 SER 66 2HB SER 66 12.310 -19.794 -15.299 13 HB3 SER 66 1HB SER 66 11.617 -21.188 -16.129 14 HG SER 66 HG SER 66 11.381 -20.052 -17.914 15 H GLY 67 H GLY 67 11.481 -18.810 -13.380 16 HA2 GLY 67 2HA GLY 67 11.721 -16.726 -12.498 17 HA3 GLY 67 1HA GLY 67 10.773 -16.070 -13.835 18 H SER 68 H SER 68 8.749 -15.490 -13.448 19 HA SER 68 HA SER 68 7.552 -16.274 -10.920 20 HB2 SER 68 2HB SER 68 6.760 -14.109 -12.904 21 HB3 SER 68 1HB SER 68 5.969 -14.403 -11.359 22 HG SER 68 HG SER 68 8.541 -14.157 -10.851 23 H GLY 69 H GLY 69 6.491 -18.138 -11.153 24 HA2 GLY 69 2HA GLY 69 5.442 -19.142 -13.597 25 HA3 GLY 69 1HA GLY 69 5.140 -19.806 -11.994 26 H ARG 70 H ARG 70 3.808 -18.113 -10.637 27 HA ARG 70 HA ARG 70 1.976 -16.551 -12.188 28 HB2 ARG 70 2HB ARG 70 -0.063 -17.525 -11.335 29 HB3 ARG 70 1HB ARG 70 0.836 -18.755 -12.205 30 HG2 ARG 70 2HG ARG 70 1.534 -19.763 -10.116 31 HG3 ARG 70 1HG ARG 70 0.763 -18.464 -9.202 32 HD2 ARG 70 2HD ARG 70 -0.646 -20.469 -9.260 33 HD3 ARG 70 1HD ARG 70 -1.409 -19.122 -10.086 34 HE ARG 70 HE ARG 70 0.131 -20.902 -11.728 35 HH11 ARG 70 1HH1 ARG 70 -3.118 -20.043 -10.528 36 HH12 ARG 70 2HH1 ARG 70 -3.920 -20.890 -11.761 37 HH21 ARG 70 1HH2 ARG 70 -1.024 -22.047 -13.416 38 HH22 ARG 70 2HH2 ARG 70 -2.722 -22.047 -13.410 39 H GLY 71 H GLY 71 1.019 -14.945 -10.974 40 HA2 GLY 71 2HA GLY 71 1.453 -14.991 -8.127 41 HA3 GLY 71 1HA GLY 71 2.264 -13.722 -9.043 42 H ARG 72 H ARG 72 0.007 -13.801 -7.094 43 HA ARG 72 HA ARG 72 -2.159 -12.703 -8.670 44 HB2 ARG 72 2HB ARG 72 -1.827 -12.830 -5.661 45 HB3 ARG 72 1HB ARG 72 -3.288 -12.378 -6.511 46 HG2 ARG 72 2HG ARG 72 -3.484 -14.642 -7.427 47 HG3 ARG 72 1HG ARG 72 -1.998 -15.108 -6.591 48 HD2 ARG 72 2HD ARG 72 -3.091 -14.533 -4.437 49 HD3 ARG 72 1HD ARG 72 -4.565 -14.176 -5.328 50 HE ARG 72 HE ARG 72 -4.238 -16.674 -6.061 51 HH11 ARG 72 1HH1 ARG 72 -3.729 -15.302 -2.823 52 HH12 ARG 72 2HH1 ARG 72 -4.136 -16.736 -2.009 53 HH21 ARG 72 1HH2 ARG 72 -4.834 -18.627 -4.896 54 HH22 ARG 72 2HH2 ARG 72 -4.792 -18.663 -3.198 55 H GLY 73 H GLY 73 0.396 -11.720 -6.535 56 HA2 GLY 73 2HA GLY 73 1.531 -9.755 -6.345 57 HA3 GLY 73 1HA GLY 73 0.622 -9.157 -7.726 58 H ALA 74 H ALA 74 -1.327 -8.177 -7.416 59 HA ALA 74 HA ALA 74 -2.509 -7.711 -4.917 60 HB1 ALA 74 1HB ALA 74 -0.932 -5.445 -6.165 61 HB2 ALA 74 2HB ALA 74 -0.579 -6.216 -4.622 62 HB3 ALA 74 3HB ALA 74 -2.062 -5.280 -4.821 63 H ILE 75 H ILE 75 -4.078 -5.741 -5.351 64 HA ILE 75 HA ILE 75 -5.285 -6.249 -7.970 65 HB ILE 75 HB ILE 75 -6.496 -5.226 -5.361 66 HG12 ILE 75 2HG1 ILE 75 -6.838 -7.898 -6.737 67 HG13 ILE 75 1HG1 ILE 75 -5.820 -7.609 -5.335 68 HG21 ILE 75 1HG2 ILE 75 -7.658 -4.321 -7.328 69 HG22 ILE 75 2HG2 ILE 75 -8.669 -5.485 -6.468 70 HG23 ILE 75 3HG2 ILE 75 -7.860 -5.960 -7.956 71 HD11 ILE 75 1HD1 ILE 75 -7.947 -8.631 -4.741 72 HD12 ILE 75 2HD1 ILE 75 -8.799 -7.249 -5.437 73 HD13 ILE 75 3HD1 ILE 75 -7.763 -7.033 -4.026 74 H ASP 76 H ASP 76 -5.976 -4.324 -9.150 75 HA ASP 76 HA ASP 76 -4.225 -2.128 -8.553 76 HB2 ASP 76 2HB ASP 76 -4.577 -2.958 -10.905 77 HB3 ASP 76 1HB ASP 76 -6.193 -2.256 -10.837 78 H ARG 77 H ARG 77 -5.334 -1.985 -6.630 79 HA ARG 77 HA ARG 77 -7.380 0.176 -6.566 80 HB2 ARG 77 2HB ARG 77 -8.396 -1.784 -5.602 81 HB3 ARG 77 1HB ARG 77 -6.934 -2.182 -4.715 82 HG2 ARG 77 2HG ARG 77 -7.257 -0.095 -3.378 83 HG3 ARG 77 1HG ARG 77 -8.806 0.109 -4.190 84 HD2 ARG 77 2HD ARG 77 -8.933 -0.940 -1.923 85 HD3 ARG 77 1HD ARG 77 -9.656 -1.898 -3.209 86 HE ARG 77 HE ARG 77 -8.237 -3.537 -2.730 87 HH11 ARG 77 1HH1 ARG 77 -6.543 -0.603 -1.512 88 HH12 ARG 77 2HH1 ARG 77 -5.321 -1.502 -0.747 89 HH21 ARG 77 1HH2 ARG 77 -6.571 -4.682 -1.613 90 HH22 ARG 77 2HH2 ARG 77 -5.357 -3.854 -0.756 91 H GLU 78 H GLU 78 -4.333 -1.084 -5.673 92 HA GLU 78 HA GLU 78 -3.735 1.158 -3.928 93 HB2 GLU 78 2HB GLU 78 -4.366 -1.019 -2.772 94 HB3 GLU 78 1HB GLU 78 -2.965 -1.729 -3.542 95 HG2 GLU 78 2HG GLU 78 -1.512 -0.230 -2.320 96 HG3 GLU 78 1HG GLU 78 -2.924 0.543 -1.586 97 H GLN 79 H GLN 79 -1.671 1.870 -4.347 98 HA GLN 79 HA GLN 79 -0.579 1.234 -6.870 99 HB2 GLN 79 2HB GLN 79 0.460 2.981 -4.669 100 HB3 GLN 79 1HB GLN 79 1.248 2.800 -6.223 101 HG2 GLN 79 2HG GLN 79 -1.554 3.824 -5.824 102 HG3 GLN 79 1HG GLN 79 -0.131 4.825 -6.094 103 HE21 GLN 79 1HE2 GLN 79 -2.567 4.555 -7.641 104 HE22 GLN 79 2HE2 GLN 79 -2.079 4.161 -9.242 105 H SER 80 H SER 80 -0.114 -0.890 -6.735 106 HA SER 80 HA SER 80 2.232 -1.680 -5.184 107 HB2 SER 80 2HB SER 80 1.530 -3.958 -6.224 108 HB3 SER 80 1HB SER 80 0.541 -3.278 -4.931 109 HG SER 80 HG SER 80 -0.917 -2.571 -6.400 110 H ALA 81 H ALA 81 1.090 -0.986 -8.373 111 HA ALA 81 HA ALA 81 3.309 -1.951 -9.828 112 HB1 ALA 81 1HB ALA 81 1.423 0.323 -10.481 113 HB2 ALA 81 2HB ALA 81 1.178 -1.368 -10.904 114 HB3 ALA 81 3HB ALA 81 2.516 -0.466 -11.617 115 H ALA 82 H ALA 82 2.534 1.118 -8.297 116 HA ALA 82 HA ALA 82 4.819 2.550 -9.052 117 HB1 ALA 82 1HB ALA 82 4.303 4.050 -7.235 118 HB2 ALA 82 2HB ALA 82 3.292 2.831 -6.475 119 HB3 ALA 82 3HB ALA 82 2.791 3.558 -8.008 120 H ILE 83 H ILE 83 4.205 0.337 -6.382 121 HA ILE 83 HA ILE 83 6.664 0.685 -5.048 122 HB ILE 83 HB ILE 83 4.886 -1.791 -5.127 123 HG12 ILE 83 2HG1 ILE 83 5.036 0.481 -3.129 124 HG13 ILE 83 1HG1 ILE 83 3.758 0.243 -4.308 125 HG21 ILE 83 1HG2 ILE 83 6.007 -2.427 -3.026 126 HG22 ILE 83 2HG2 ILE 83 7.072 -1.031 -3.174 127 HG23 ILE 83 3HG2 ILE 83 7.156 -2.332 -4.363 128 HD11 ILE 83 1HD1 ILE 83 4.403 -1.581 -1.995 129 HD12 ILE 83 2HD1 ILE 83 3.126 -1.839 -3.187 130 HD13 ILE 83 3HD1 ILE 83 3.053 -0.449 -2.109 131 H ARG 84 H ARG 84 5.653 -1.478 -7.663 132 HA ARG 84 HA ARG 84 8.098 -2.845 -7.979 133 HB2 ARG 84 2HB ARG 84 6.028 -2.144 -10.061 134 HB3 ARG 84 1HB ARG 84 7.415 -3.175 -10.366 135 HG2 ARG 84 2HG ARG 84 6.590 -4.735 -8.661 136 HG3 ARG 84 1HG ARG 84 5.172 -3.707 -8.440 137 HD2 ARG 84 2HD ARG 84 4.698 -5.588 -9.930 138 HD3 ARG 84 1HD ARG 84 4.551 -4.044 -10.769 139 HE ARG 84 HE ARG 84 7.056 -4.699 -11.363 140 HH11 ARG 84 1HH1 ARG 84 4.103 -6.649 -11.514 141 HH12 ARG 84 2HH1 ARG 84 4.613 -7.611 -12.798 142 HH21 ARG 84 1HH2 ARG 84 7.811 -6.017 -13.130 143 HH22 ARG 84 2HH2 ARG 84 6.801 -7.236 -13.766 144 H GLU 85 H GLU 85 6.931 0.153 -9.402 145 HA GLU 85 HA GLU 85 9.153 0.634 -11.060 146 HB2 GLU 85 2HB GLU 85 7.253 2.619 -9.804 147 HB3 GLU 85 1HB GLU 85 8.394 2.991 -11.089 148 HG2 GLU 85 2HG GLU 85 7.233 1.371 -12.550 149 HG3 GLU 85 1HG GLU 85 6.065 1.089 -11.261 150 H TRP 86 H TRP 86 8.414 1.765 -7.798 151 HA TRP 86 HA TRP 86 10.756 3.159 -7.259 152 HB2 TRP 86 2HB TRP 86 8.796 3.317 -5.853 153 HB3 TRP 86 1HB TRP 86 8.856 1.602 -5.495 154 HD1 TRP 86 HD TRP 86 10.455 4.927 -4.512 155 HE1 TRP 86 1HE TRP 86 11.757 4.581 -2.321 156 HE3 TRP 86 3HE TRP 86 10.081 -0.130 -4.162 157 HZ2 TRP 86 2HZ TRP 86 12.523 2.412 -0.655 158 HZ3 TRP 86 3HZ TRP 86 11.124 -1.271 -2.262 159 HH2 TRP 86 HH TRP 86 12.315 -0.020 -0.541 160 H ALA 87 H ALA 87 9.958 -0.252 -6.873 161 HA ALA 87 HA ALA 87 12.334 -1.105 -5.695 162 HB1 ALA 87 1HB ALA 87 11.644 -3.363 -6.403 163 HB2 ALA 87 2HB ALA 87 10.412 -2.630 -7.441 164 HB3 ALA 87 3HB ALA 87 10.308 -2.452 -5.696 165 H ARG 88 H ARG 88 11.433 -0.580 -9.015 166 HA ARG 88 HA ARG 88 13.758 -1.745 -10.192 167 HB2 ARG 88 2HB ARG 88 11.708 0.200 -11.228 168 HB3 ARG 88 1HB ARG 88 13.003 -0.456 -12.219 169 HG2 ARG 88 2HG ARG 88 12.131 -2.684 -11.949 170 HG3 ARG 88 1HG ARG 88 10.932 -2.106 -10.803 171 HD2 ARG 88 2HD ARG 88 10.035 -2.479 -13.083 172 HD3 ARG 88 1HD ARG 88 9.800 -0.840 -12.482 173 HE ARG 88 HE ARG 88 12.189 -1.075 -13.989 174 HH11 ARG 88 1HH1 ARG 88 8.667 -0.850 -14.397 175 HH12 ARG 88 2HH1 ARG 88 8.784 -0.081 -15.912 176 HH21 ARG 88 1HH2 ARG 88 12.296 0.001 -16.046 177 HH22 ARG 88 2HH2 ARG 88 10.868 0.419 -16.870 178 H ARG 89 H ARG 89 12.856 1.448 -9.112 179 HA ARG 89 HA ARG 89 15.068 2.901 -10.151 180 HB2 ARG 89 2HB ARG 89 13.493 3.427 -7.629 181 HB3 ARG 89 1HB ARG 89 14.533 4.592 -8.435 182 HG2 ARG 89 2HG ARG 89 13.047 4.578 -10.346 183 HG3 ARG 89 1HG ARG 89 12.046 3.356 -9.562 184 HD2 ARG 89 2HD ARG 89 11.759 4.959 -7.662 185 HD3 ARG 89 1HD ARG 89 12.520 6.184 -8.681 186 HE ARG 89 HE ARG 89 10.624 5.274 -10.272 187 HH11 ARG 89 1HH1 ARG 89 10.492 6.350 -6.899 188 HH12 ARG 89 2HH1 ARG 89 8.857 6.789 -6.956 189 HH21 ARG 89 1HH2 ARG 89 8.329 5.860 -10.326 190 HH22 ARG 89 2HH2 ARG 89 7.604 6.475 -8.926 191 H ASN 90 H ASN 90 14.494 1.201 -7.167 192 HA ASN 90 HA ASN 90 17.123 1.806 -6.149 193 HB2 ASN 90 2HB ASN 90 14.884 0.116 -5.075 194 HB3 ASN 90 1HB ASN 90 16.453 0.183 -4.287 195 HD21 ASN 90 1HD2 ASN 90 13.523 1.920 -5.003 196 HD22 ASN 90 2HD2 ASN 90 13.841 3.233 -3.935 197 H GLY 91 H GLY 91 15.526 -0.974 -7.545 198 HA2 GLY 91 2HA GLY 91 16.622 -2.557 -8.856 199 HA3 GLY 91 1HA GLY 91 18.152 -2.068 -8.131 200 H HIS 92 H HIS 92 15.038 -3.407 -7.106 201 HA HIS 92 HA HIS 92 16.478 -4.992 -5.108 202 HB2 HIS 92 2HB HIS 92 13.498 -4.602 -5.468 203 HB3 HIS 92 1HB HIS 92 14.223 -5.580 -4.200 204 HD1 HIS 92 1HD HIS 92 16.314 -3.777 -2.972 205 HD2 HIS 92 2HD HIS 92 12.649 -2.389 -4.332 206 HE1 HIS 92 1HE HIS 92 15.953 -1.533 -1.886 207 H ASN 93 H ASN 93 16.402 -5.472 -8.030 208 HA ASN 93 HA ASN 93 16.675 -7.214 -9.397 209 HB2 ASN 93 2HB ASN 93 16.428 -8.835 -6.865 210 HB3 ASN 93 1HB ASN 93 16.744 -9.572 -8.426 211 HD21 ASN 93 1HD2 ASN 93 18.725 -10.341 -7.787 212 HD22 ASN 93 2HD2 ASN 93 20.099 -9.322 -7.525 213 H VAL 94 H VAL 94 14.025 -6.243 -8.555 214 HA VAL 94 HA VAL 94 12.197 -8.439 -8.965 215 HB VAL 94 HB VAL 94 11.583 -5.465 -8.977 216 HG11 VAL 94 1HG1 VAL 94 9.727 -7.821 -8.629 217 HG12 VAL 94 2HG1 VAL 94 9.823 -6.775 -10.045 218 HG13 VAL 94 3HG1 VAL 94 9.271 -6.122 -8.505 219 HG21 VAL 94 1HG2 VAL 94 12.576 -6.162 -6.856 220 HG22 VAL 94 2HG2 VAL 94 11.375 -7.449 -6.712 221 HG23 VAL 94 3HG2 VAL 94 10.871 -5.760 -6.656 222 H SER 95 H SER 95 12.502 -5.402 -10.751 223 HA SER 95 HA SER 95 12.036 -4.799 -12.835 224 HB2 SER 95 2HB SER 95 14.235 -5.797 -13.200 225 HB3 SER 95 1HB SER 95 13.501 -7.371 -13.479 226 HG SER 95 HG SER 95 13.363 -5.044 -15.084 227 H THR 96 H THR 96 11.637 -8.233 -13.744 228 HA THR 96 HA THR 96 8.961 -7.535 -14.631 229 HB THR 96 HB THR 96 9.363 -9.637 -16.073 230 HG1 THR 96 1HG THR 96 11.392 -10.354 -16.163 231 HG21 THR 96 1HG2 THR 96 10.981 -7.116 -16.537 232 HG22 THR 96 2HG2 THR 96 9.278 -7.326 -16.944 233 HG23 THR 96 3HG2 THR 96 10.503 -8.279 -17.777 234 H ARG 97 H ARG 97 10.357 -9.064 -12.083 235 HA ARG 97 HA ARG 97 8.858 -11.466 -11.933 236 HB2 ARG 97 2HB ARG 97 9.838 -9.786 -9.605 237 HB3 ARG 97 1HB ARG 97 9.354 -11.473 -9.534 238 HG2 ARG 97 2HG ARG 97 11.248 -12.044 -11.014 239 HG3 ARG 97 1HG ARG 97 11.742 -10.350 -10.980 240 HD2 ARG 97 2HD ARG 97 11.819 -10.580 -8.459 241 HD3 ARG 97 1HD ARG 97 11.685 -12.320 -8.706 242 HE ARG 97 HE ARG 97 13.834 -10.650 -9.802 243 HH11 ARG 97 1HH1 ARG 97 12.817 -13.704 -8.294 244 HH12 ARG 97 2HH1 ARG 97 14.401 -14.301 -8.145 245 HH21 ARG 97 1HH2 ARG 97 16.009 -11.497 -9.582 246 HH22 ARG 97 2HH2 ARG 97 16.255 -13.026 -8.906 247 H GLY 98 H GLY 98 6.848 -11.863 -11.246 248 HA2 GLY 98 2HA GLY 98 5.013 -9.637 -11.433 249 HA3 GLY 98 1HA GLY 98 4.598 -11.336 -11.245 250 H ARG 99 H ARG 99 6.323 -11.458 -8.858 251 HA ARG 99 HA ARG 99 4.220 -10.617 -7.014 252 HB2 ARG 99 2HB ARG 99 6.612 -12.371 -6.609 253 HB3 ARG 99 1HB ARG 99 5.310 -12.119 -5.446 254 HG2 ARG 99 2HG ARG 99 3.751 -13.204 -6.979 255 HG3 ARG 99 1HG ARG 99 5.050 -13.417 -8.151 256 HD2 ARG 99 2HD ARG 99 4.895 -14.632 -5.395 257 HD3 ARG 99 1HD ARG 99 4.691 -15.451 -6.946 258 HE ARG 99 HE ARG 99 7.219 -14.111 -6.608 259 HH11 ARG 99 1HH1 ARG 99 5.514 -17.205 -6.335 260 HH12 ARG 99 2HH1 ARG 99 6.935 -18.132 -6.207 261 HH21 ARG 99 1HH2 ARG 99 9.124 -15.342 -6.470 262 HH22 ARG 99 2HH2 ARG 99 9.069 -17.040 -6.287 263 H ILE 100 H ILE 100 4.521 -8.892 -5.724 264 HA ILE 100 HA ILE 100 7.182 -7.773 -5.595 265 HB ILE 100 HB ILE 100 4.642 -6.666 -4.330 266 HG12 ILE 100 2HG1 ILE 100 5.050 -4.801 -6.133 267 HG13 ILE 100 1HG1 ILE 100 5.929 -6.066 -6.980 268 HG21 ILE 100 1HG2 ILE 100 7.339 -5.391 -4.707 269 HG22 ILE 100 2HG2 ILE 100 6.665 -6.006 -3.201 270 HG23 ILE 100 3HG2 ILE 100 5.918 -4.615 -3.997 271 HD11 ILE 100 1HD1 ILE 100 3.684 -5.872 -7.814 272 HD12 ILE 100 2HD1 ILE 100 3.032 -6.085 -6.200 273 HD13 ILE 100 3HD1 ILE 100 3.867 -7.433 -6.998 274 HA PRO 101 HA PRO 101 7.805 -10.022 -1.723 275 HB2 PRO 101 2HB PRO 101 10.007 -8.069 -1.529 276 HB3 PRO 101 1HB PRO 101 10.072 -9.839 -1.437 277 HG2 PRO 101 2HG PRO 101 11.002 -8.593 -3.553 278 HG3 PRO 101 1HG PRO 101 10.100 -10.117 -3.709 279 HD2 PRO 101 2HD PRO 101 9.182 -7.333 -4.260 280 HD3 PRO 101 1HD PRO 101 8.837 -8.847 -5.125 281 H ALA 102 H ALA 102 6.975 -9.642 0.118 282 HA ALA 102 HA ALA 102 5.778 -7.219 0.861 283 HB1 ALA 102 1HB ALA 102 5.487 -8.261 3.070 284 HB2 ALA 102 2HB ALA 102 6.627 -9.526 2.613 285 HB3 ALA 102 3HB ALA 102 5.083 -9.384 1.771 286 H ASP 103 H ASP 103 8.887 -8.559 1.303 287 HA ASP 103 HA ASP 103 10.033 -6.869 3.235 288 HB2 ASP 103 2HB ASP 103 11.388 -8.047 0.796 289 HB3 ASP 103 1HB ASP 103 12.177 -7.537 2.281 290 H VAL 104 H VAL 104 9.629 -6.606 -0.250 291 HA VAL 104 HA VAL 104 11.050 -4.140 -0.511 292 HB VAL 104 HB VAL 104 9.223 -5.673 -2.383 293 HG11 VAL 104 1HG1 VAL 104 8.906 -3.302 -2.848 294 HG12 VAL 104 2HG1 VAL 104 9.787 -4.089 -4.154 295 HG13 VAL 104 3HG1 VAL 104 10.654 -3.075 -2.992 296 HG21 VAL 104 1HG2 VAL 104 12.163 -5.027 -2.472 297 HG22 VAL 104 2HG2 VAL 104 11.280 -5.987 -3.660 298 HG23 VAL 104 3HG2 VAL 104 11.459 -6.572 -2.002 299 H ILE 105 H ILE 105 7.673 -5.050 -0.271 300 HA ILE 105 HA ILE 105 6.555 -2.486 -0.527 301 HB ILE 105 HB ILE 105 5.541 -4.890 1.030 302 HG12 ILE 105 2HG1 ILE 105 4.903 -3.911 -1.751 303 HG13 ILE 105 1HG1 ILE 105 5.948 -5.265 -1.368 304 HG21 ILE 105 1HG2 ILE 105 4.417 -2.852 1.788 305 HG22 ILE 105 2HG2 ILE 105 3.311 -3.866 0.861 306 HG23 ILE 105 3HG2 ILE 105 4.029 -2.435 0.119 307 HD11 ILE 105 1HD1 ILE 105 3.739 -6.016 -2.072 308 HD12 ILE 105 2HD1 ILE 105 2.994 -5.076 -0.778 309 HD13 ILE 105 3HD1 ILE 105 4.030 -6.448 -0.388 310 H ASP 106 H ASP 106 7.700 -4.290 2.267 311 HA ASP 106 HA ASP 106 7.013 -2.478 4.309 312 HB2 ASP 106 2HB ASP 106 7.642 -4.767 4.797 313 HB3 ASP 106 1HB ASP 106 9.229 -4.522 4.093 314 H ALA 107 H ALA 107 9.894 -2.845 2.351 315 HA ALA 107 HA ALA 107 11.388 -0.760 3.485 316 HB1 ALA 107 1HB ALA 107 12.360 -2.508 2.091 317 HB2 ALA 107 2HB ALA 107 12.733 -0.911 1.429 318 HB3 ALA 107 3HB ALA 107 11.459 -1.908 0.707 319 H TYR 108 H TYR 108 9.169 -0.854 0.718 320 HA TYR 108 HA TYR 108 9.393 1.807 -0.131 321 HB2 TYR 108 2HB TYR 108 8.278 0.115 -1.491 322 HB3 TYR 108 1HB TYR 108 7.037 -0.103 -0.267 323 HD1 TYR 108 1HD TYR 108 8.234 2.032 -3.000 324 HD2 TYR 108 2HD TYR 108 5.231 1.533 -0.033 325 HE1 TYR 108 1HE TYR 108 6.848 3.705 -4.129 326 HE2 TYR 108 2HE TYR 108 3.835 3.194 -1.135 327 HH TYR 108 HH TYR 108 4.140 5.069 -2.578 328 H HIS 109 H HIS 109 7.295 0.332 2.257 329 HA HIS 109 HA HIS 109 5.905 2.731 2.909 330 HB2 HIS 109 2HB HIS 109 6.056 0.016 4.178 331 HB3 HIS 109 1HB HIS 109 5.191 1.304 4.991 332 HD1 HIS 109 1HD HIS 109 2.701 0.993 4.538 333 HD2 HIS 109 2HD HIS 109 5.043 -0.028 1.263 334 HE1 HIS 109 1HE HIS 109 1.113 0.296 2.722 335 H ALA 110 H ALA 110 8.821 1.253 4.060 336 HA ALA 110 HA ALA 110 9.078 2.944 6.361 337 HB1 ALA 110 1HB ALA 110 10.215 0.766 6.253 338 HB2 ALA 110 2HB ALA 110 11.380 2.071 6.477 339 HB3 ALA 110 3HB ALA 110 11.174 1.338 4.889 340 H ALA 111 H ALA 111 10.155 2.996 3.047 341 HA ALA 111 HA ALA 111 11.720 5.376 3.306 342 HB1 ALA 111 1HB ALA 111 11.874 5.263 0.869 343 HB2 ALA 111 2HB ALA 111 10.653 3.994 0.842 344 HB3 ALA 111 3HB ALA 111 12.219 3.690 1.586 345 H ASP 112 H ASP 112 11.185 7.376 2.427 346 HA ASP 112 HA ASP 112 8.336 7.940 2.523 347 HB2 ASP 112 2HB ASP 112 9.730 9.444 3.828 348 HB3 ASP 112 1HB ASP 112 10.714 9.802 2.410 Start of MODEL 15 1 H MET 65 1HT MET 65 14.021 27.911 -2.866 2 HA MET 65 HA MET 65 13.217 29.827 -3.959 3 HB2 MET 65 2HB MET 65 13.751 28.262 -6.505 4 HB3 MET 65 1HB MET 65 12.904 29.796 -6.410 5 HG2 MET 65 2HG MET 65 14.965 30.866 -5.629 6 HG3 MET 65 1HG MET 65 15.800 29.318 -5.751 7 HE1 MET 65 1HE MET 65 14.167 31.731 -9.338 8 HE2 MET 65 2HE MET 65 14.127 32.287 -7.667 9 HE3 MET 65 3HE MET 65 13.097 30.946 -8.178 10 H SER 66 H SER 66 10.973 29.879 -4.405 11 HA SER 66 HA SER 66 9.782 27.334 -3.883 12 HB2 SER 66 2HB SER 66 8.544 30.082 -3.964 13 HB3 SER 66 1HB SER 66 7.697 28.590 -3.525 14 HG SER 66 HG SER 66 10.084 29.292 -2.252 15 H GLY 67 H GLY 67 9.859 26.182 -5.664 16 HA2 GLY 67 2HA GLY 67 8.306 27.120 -7.981 17 HA3 GLY 67 1HA GLY 67 9.574 25.888 -8.060 18 H SER 68 H SER 68 6.777 26.505 -6.005 19 HA SER 68 HA SER 68 6.306 23.802 -5.472 20 HB2 SER 68 2HB SER 68 4.457 26.159 -5.147 21 HB3 SER 68 1HB SER 68 4.391 24.624 -4.278 22 HG SER 68 HG SER 68 5.599 25.596 -2.910 23 H GLY 69 H GLY 69 4.982 22.390 -6.382 24 HA2 GLY 69 2HA GLY 69 3.070 23.263 -8.392 25 HA3 GLY 69 1HA GLY 69 4.338 22.136 -8.878 26 H ARG 70 H ARG 70 4.599 20.267 -7.255 27 HA ARG 70 HA ARG 70 1.952 19.409 -6.392 28 HB2 ARG 70 2HB ARG 70 4.010 17.686 -7.806 29 HB3 ARG 70 1HB ARG 70 2.531 17.086 -7.075 30 HG2 ARG 70 2HG ARG 70 2.720 18.981 -9.419 31 HG3 ARG 70 1HG ARG 70 2.285 17.276 -9.487 32 HD2 ARG 70 2HD ARG 70 0.280 17.696 -8.196 33 HD3 ARG 70 1HD ARG 70 0.735 19.383 -7.975 34 HE ARG 70 HE ARG 70 0.013 18.149 -10.538 35 HH11 ARG 70 1HH1 ARG 70 0.252 21.040 -8.471 36 HH12 ARG 70 2HH1 ARG 70 -0.735 21.993 -9.457 37 HH21 ARG 70 1HH2 ARG 70 -1.339 19.529 -11.908 38 HH22 ARG 70 2HH2 ARG 70 -1.596 21.161 -11.465 39 H GLY 71 H GLY 71 1.890 18.948 -4.362 40 HA2 GLY 71 2HA GLY 71 4.366 18.726 -2.898 41 HA3 GLY 71 1HA GLY 71 2.742 18.946 -2.232 42 H ARG 72 H ARG 72 4.598 16.918 -1.417 43 HA ARG 72 HA ARG 72 3.339 14.626 -2.650 44 HB2 ARG 72 2HB ARG 72 5.746 14.675 -0.823 45 HB3 ARG 72 1HB ARG 72 5.132 13.263 -1.667 46 HG2 ARG 72 2HG ARG 72 6.307 15.725 -2.942 47 HG3 ARG 72 1HG ARG 72 7.101 14.163 -2.745 48 HD2 ARG 72 2HD ARG 72 5.539 13.115 -4.230 49 HD3 ARG 72 1HD ARG 72 4.566 14.587 -4.319 50 HE ARG 72 HE ARG 72 7.194 15.142 -5.079 51 HH11 ARG 72 1HH1 ARG 72 4.403 13.376 -6.324 52 HH12 ARG 72 2HH1 ARG 72 4.748 13.733 -7.956 53 HH21 ARG 72 1HH2 ARG 72 7.637 15.645 -7.317 54 HH22 ARG 72 2HH2 ARG 72 6.585 15.068 -8.532 55 H GLY 73 H GLY 73 2.182 13.195 -1.420 56 HA2 GLY 73 2HA GLY 73 1.553 14.121 1.290 57 HA3 GLY 73 1HA GLY 73 0.498 13.137 0.274 58 H ALA 74 H ALA 74 0.417 11.736 2.147 59 HA ALA 74 HA ALA 74 2.825 10.152 2.493 60 HB1 ALA 74 1HB ALA 74 1.640 9.216 4.447 61 HB2 ALA 74 2HB ALA 74 0.257 10.254 4.097 62 HB3 ALA 74 3HB ALA 74 1.798 10.968 4.569 63 H ILE 75 H ILE 75 2.858 8.207 1.599 64 HA ILE 75 HA ILE 75 0.725 7.640 -0.116 65 HB ILE 75 HB ILE 75 3.249 6.097 0.466 66 HG12 ILE 75 2HG1 ILE 75 3.783 6.612 -1.956 67 HG13 ILE 75 1HG1 ILE 75 2.356 7.632 -1.991 68 HG21 ILE 75 1HG2 ILE 75 1.107 5.306 -1.489 69 HG22 ILE 75 2HG2 ILE 75 1.638 4.403 -0.068 70 HG23 ILE 75 3HG2 ILE 75 2.724 4.612 -1.444 71 HD11 ILE 75 1HD1 ILE 75 4.376 8.944 -1.742 72 HD12 ILE 75 2HD1 ILE 75 4.808 8.043 -0.291 73 HD13 ILE 75 3HD1 ILE 75 3.378 9.075 -0.293 74 H ASP 76 H ASP 76 -0.856 6.292 0.159 75 HA ASP 76 HA ASP 76 -1.193 5.145 2.851 76 HB2 ASP 76 2HB ASP 76 -2.783 6.899 2.284 77 HB3 ASP 76 1HB ASP 76 -3.259 6.012 0.839 78 H ARG 77 H ARG 77 -2.103 4.504 -0.485 79 HA ARG 77 HA ARG 77 -2.862 1.832 0.366 80 HB2 ARG 77 2HB ARG 77 -4.230 3.510 -1.092 81 HB3 ARG 77 1HB ARG 77 -3.138 2.871 -2.342 82 HG2 ARG 77 2HG ARG 77 -3.951 0.663 -2.076 83 HG3 ARG 77 1HG ARG 77 -4.954 1.140 -0.704 84 HD2 ARG 77 2HD ARG 77 -5.244 2.144 -3.527 85 HD3 ARG 77 1HD ARG 77 -6.276 0.938 -2.752 86 HE ARG 77 HE ARG 77 -6.578 2.940 -1.070 87 HH11 ARG 77 1HH1 ARG 77 -6.687 3.009 -4.594 88 HH12 ARG 77 2HH1 ARG 77 -7.638 4.414 -4.687 89 HH21 ARG 77 1HH2 ARG 77 -7.863 4.827 -1.170 90 HH22 ARG 77 2HH2 ARG 77 -8.346 5.501 -2.653 91 H GLU 78 H GLU 78 -2.200 0.058 -0.788 92 HA GLU 78 HA GLU 78 0.498 -0.065 -1.540 93 HB2 GLU 78 2HB GLU 78 -0.950 -1.835 -0.553 94 HB3 GLU 78 1HB GLU 78 -1.752 -1.908 -2.114 95 HG2 GLU 78 2HG GLU 78 0.333 -2.614 -3.196 96 HG3 GLU 78 1HG GLU 78 1.184 -2.499 -1.656 97 H GLN 79 H GLN 79 1.107 0.943 -3.329 98 HA GLN 79 HA GLN 79 -0.499 0.716 -5.765 99 HB2 GLN 79 2HB GLN 79 1.719 2.615 -5.007 100 HB3 GLN 79 1HB GLN 79 0.976 2.560 -6.597 101 HG2 GLN 79 2HG GLN 79 -1.135 3.264 -5.691 102 HG3 GLN 79 1HG GLN 79 -0.508 3.146 -4.045 103 HE21 GLN 79 1HE2 GLN 79 0.832 4.699 -3.299 104 HE22 GLN 79 2HE2 GLN 79 1.067 6.229 -4.084 105 H SER 80 H SER 80 0.137 -1.353 -6.244 106 HA SER 80 HA SER 80 2.562 -2.555 -5.949 107 HB2 SER 80 2HB SER 80 0.580 -3.080 -8.145 108 HB3 SER 80 1HB SER 80 1.791 -4.211 -7.532 109 HG SER 80 HG SER 80 -0.649 -3.566 -6.546 110 H ALA 81 H ALA 81 1.511 -0.804 -8.894 111 HA ALA 81 HA ALA 81 3.885 -1.455 -10.287 112 HB1 ALA 81 1HB ALA 81 1.889 0.734 -10.852 113 HB2 ALA 81 2HB ALA 81 1.849 -0.908 -11.500 114 HB3 ALA 81 3HB ALA 81 3.157 0.188 -11.944 115 H ALA 82 H ALA 82 2.878 1.272 -8.341 116 HA ALA 82 HA ALA 82 5.126 2.916 -8.900 117 HB1 ALA 82 1HB ALA 82 3.035 3.808 -7.945 118 HB2 ALA 82 2HB ALA 82 4.441 4.226 -6.954 119 HB3 ALA 82 3HB ALA 82 3.359 2.933 -6.452 120 H ILE 83 H ILE 83 4.455 0.456 -6.494 121 HA ILE 83 HA ILE 83 6.794 0.748 -4.955 122 HB ILE 83 HB ILE 83 5.167 -1.776 -5.478 123 HG12 ILE 83 2HG1 ILE 83 5.097 0.140 -3.129 124 HG13 ILE 83 1HG1 ILE 83 3.909 0.093 -4.426 125 HG21 ILE 83 1HG2 ILE 83 7.218 -1.220 -3.323 126 HG22 ILE 83 2HG2 ILE 83 7.401 -2.345 -4.668 127 HG23 ILE 83 3HG2 ILE 83 6.198 -2.654 -3.417 128 HD11 ILE 83 1HD1 ILE 83 3.104 -1.019 -2.419 129 HD12 ILE 83 2HD1 ILE 83 4.473 -2.131 -2.480 130 HD13 ILE 83 3HD1 ILE 83 3.258 -2.154 -3.761 131 H ARG 84 H ARG 84 6.076 -1.196 -7.825 132 HA ARG 84 HA ARG 84 8.643 -2.352 -8.004 133 HB2 ARG 84 2HB ARG 84 6.639 -1.887 -10.237 134 HB3 ARG 84 1HB ARG 84 8.089 -2.860 -10.397 135 HG2 ARG 84 2HG ARG 84 7.204 -4.346 -8.583 136 HG3 ARG 84 1HG ARG 84 5.711 -3.418 -8.633 137 HD2 ARG 84 2HD ARG 84 5.447 -4.026 -11.021 138 HD3 ARG 84 1HD ARG 84 6.912 -5.001 -10.908 139 HE ARG 84 HE ARG 84 4.440 -5.526 -9.387 140 HH11 ARG 84 1HH1 ARG 84 7.189 -6.787 -11.208 141 HH12 ARG 84 2HH1 ARG 84 6.864 -8.423 -10.881 142 HH21 ARG 84 1HH2 ARG 84 3.912 -7.734 -9.012 143 HH22 ARG 84 2HH2 ARG 84 4.872 -9.004 -9.612 144 H GLU 85 H GLU 85 7.322 0.646 -9.258 145 HA GLU 85 HA GLU 85 9.488 1.469 -10.835 146 HB2 GLU 85 2HB GLU 85 7.532 3.122 -9.234 147 HB3 GLU 85 1HB GLU 85 8.682 3.805 -10.374 148 HG2 GLU 85 2HG GLU 85 6.445 1.897 -11.006 149 HG3 GLU 85 1HG GLU 85 6.504 3.622 -11.379 150 H TRP 86 H TRP 86 8.728 2.268 -7.489 151 HA TRP 86 HA TRP 86 11.014 3.685 -6.804 152 HB2 TRP 86 2HB TRP 86 9.054 3.648 -5.397 153 HB3 TRP 86 1HB TRP 86 9.185 1.913 -5.179 154 HD1 TRP 86 HD TRP 86 10.688 5.210 -3.941 155 HE1 TRP 86 1HE TRP 86 11.963 4.747 -1.765 156 HE3 TRP 86 3HE TRP 86 10.426 0.135 -3.948 157 HZ2 TRP 86 2HZ TRP 86 12.776 2.483 -0.243 158 HZ3 TRP 86 3HZ TRP 86 11.474 -1.112 -2.120 159 HH2 TRP 86 HH TRP 86 12.626 0.039 -0.298 160 H ALA 87 H ALA 87 10.354 0.224 -6.609 161 HA ALA 87 HA ALA 87 12.738 -0.654 -5.506 162 HB1 ALA 87 1HB ALA 87 12.168 -2.839 -6.517 163 HB2 ALA 87 2HB ALA 87 10.974 -2.031 -7.526 164 HB3 ALA 87 3HB ALA 87 10.764 -2.064 -5.781 165 H ARG 88 H ARG 88 11.837 -0.308 -8.920 166 HA ARG 88 HA ARG 88 14.258 -1.087 -10.107 167 HB2 ARG 88 2HB ARG 88 12.093 0.797 -11.053 168 HB3 ARG 88 1HB ARG 88 13.441 0.300 -12.059 169 HG2 ARG 88 2HG ARG 88 11.589 -1.695 -10.794 170 HG3 ARG 88 1HG ARG 88 11.233 -0.939 -12.345 171 HD2 ARG 88 2HD ARG 88 13.749 -2.485 -11.722 172 HD3 ARG 88 1HD ARG 88 12.343 -3.141 -12.565 173 HE ARG 88 HE ARG 88 13.232 -0.748 -13.787 174 HH11 ARG 88 1HH1 ARG 88 14.049 -4.190 -13.600 175 HH12 ARG 88 2HH1 ARG 88 14.801 -4.218 -15.119 176 HH21 ARG 88 1HH2 ARG 88 14.177 -0.784 -15.810 177 HH22 ARG 88 2HH2 ARG 88 14.856 -2.218 -16.474 178 H ARG 89 H ARG 89 13.128 2.067 -9.040 179 HA ARG 89 HA ARG 89 15.292 3.601 -10.017 180 HB2 ARG 89 2HB ARG 89 13.450 4.163 -7.691 181 HB3 ARG 89 1HB ARG 89 14.514 5.345 -8.439 182 HG2 ARG 89 2HG ARG 89 13.286 5.207 -10.509 183 HG3 ARG 89 1HG ARG 89 12.300 3.892 -9.873 184 HD2 ARG 89 2HD ARG 89 11.526 5.460 -8.083 185 HD3 ARG 89 1HD ARG 89 12.366 6.749 -8.946 186 HE ARG 89 HE ARG 89 10.768 5.601 -10.824 187 HH11 ARG 89 1HH1 ARG 89 10.231 7.185 -7.691 188 HH12 ARG 89 2HH1 ARG 89 8.633 7.626 -7.989 189 HH21 ARG 89 1HH2 ARG 89 8.539 6.198 -11.282 190 HH22 ARG 89 2HH2 ARG 89 7.617 7.009 -10.119 191 H ASN 90 H ASN 90 14.781 1.926 -6.972 192 HA ASN 90 HA ASN 90 17.264 2.835 -5.816 193 HB2 ASN 90 2HB ASN 90 15.241 0.783 -5.002 194 HB3 ASN 90 1HB ASN 90 16.808 0.837 -4.208 195 HD21 ASN 90 1HD2 ASN 90 13.785 2.393 -4.657 196 HD22 ASN 90 2HD2 ASN 90 13.984 3.563 -3.400 197 H GLY 91 H GLY 91 16.226 0.179 -7.711 198 HA2 GLY 91 2HA GLY 91 17.797 -0.925 -9.131 199 HA3 GLY 91 1HA GLY 91 19.018 -0.691 -7.880 200 H HIS 92 H HIS 92 15.798 -1.757 -7.137 201 HA HIS 92 HA HIS 92 16.876 -4.245 -6.106 202 HB2 HIS 92 2HB HIS 92 14.011 -3.266 -6.063 203 HB3 HIS 92 1HB HIS 92 14.660 -4.609 -5.139 204 HD1 HIS 92 1HD HIS 92 17.232 -2.832 -4.114 205 HD2 HIS 92 2HD HIS 92 13.198 -1.871 -3.855 206 HE1 HIS 92 1HE HIS 92 17.011 -1.083 -2.288 207 H ASN 93 H ASN 93 16.059 -6.245 -6.770 208 HA ASN 93 HA ASN 93 15.278 -6.210 -9.570 209 HB2 ASN 93 2HB ASN 93 16.829 -8.222 -7.948 210 HB3 ASN 93 1HB ASN 93 16.153 -8.625 -9.522 211 HD21 ASN 93 1HD2 ASN 93 18.302 -8.971 -10.292 212 HD22 ASN 93 2HD2 ASN 93 19.302 -7.617 -10.693 213 H VAL 94 H VAL 94 13.159 -6.110 -9.491 214 HA VAL 94 HA VAL 94 11.723 -8.236 -8.078 215 HB VAL 94 HB VAL 94 10.628 -5.697 -9.358 216 HG11 VAL 94 1HG1 VAL 94 9.246 -7.720 -7.589 217 HG12 VAL 94 2HG1 VAL 94 8.993 -7.522 -9.321 218 HG13 VAL 94 3HG1 VAL 94 8.528 -6.236 -8.209 219 HG21 VAL 94 1HG2 VAL 94 10.262 -4.903 -7.056 220 HG22 VAL 94 2HG2 VAL 94 11.973 -5.172 -7.400 221 HG23 VAL 94 3HG2 VAL 94 11.068 -6.348 -6.445 222 H SER 95 H SER 95 10.908 -9.845 -9.266 223 HA SER 95 HA SER 95 11.570 -10.043 -11.998 224 HB2 SER 95 2HB SER 95 9.779 -11.789 -10.298 225 HB3 SER 95 1HB SER 95 10.569 -12.247 -11.808 226 HG SER 95 HG SER 95 12.487 -11.334 -10.338 227 H THR 96 H THR 96 10.419 -9.470 -13.705 228 HA THR 96 HA THR 96 8.048 -8.018 -13.568 229 HB THR 96 HB THR 96 7.921 -8.482 -16.103 230 HG1 THR 96 1HG THR 96 9.880 -10.238 -15.365 231 HG21 THR 96 1HG2 THR 96 9.857 -7.014 -16.547 232 HG22 THR 96 2HG2 THR 96 10.430 -7.296 -14.903 233 HG23 THR 96 3HG2 THR 96 8.907 -6.450 -15.173 234 H ARG 97 H ARG 97 8.541 -11.445 -14.084 235 HA ARG 97 HA ARG 97 5.646 -11.825 -13.986 236 HB2 ARG 97 2HB ARG 97 7.775 -13.851 -14.737 237 HB3 ARG 97 1HB ARG 97 6.035 -14.059 -14.873 238 HG2 ARG 97 2HG ARG 97 5.992 -12.321 -16.610 239 HG3 ARG 97 1HG ARG 97 7.745 -12.172 -16.485 240 HD2 ARG 97 2HD ARG 97 7.345 -13.602 -18.327 241 HD3 ARG 97 1HD ARG 97 7.858 -14.645 -17.012 242 HE ARG 97 HE ARG 97 5.032 -14.250 -17.724 243 HH11 ARG 97 1HH1 ARG 97 7.638 -16.453 -16.787 244 HH12 ARG 97 2HH1 ARG 97 6.707 -17.862 -16.988 245 HH21 ARG 97 1HH2 ARG 97 3.789 -16.155 -18.048 246 HH22 ARG 97 2HH2 ARG 97 4.462 -17.697 -17.748 247 H GLY 98 H GLY 98 5.509 -11.543 -11.792 248 HA2 GLY 98 2HA GLY 98 5.767 -13.641 -10.104 249 HA3 GLY 98 1HA GLY 98 7.295 -12.771 -9.964 250 H ARG 99 H ARG 99 6.329 -12.584 -7.748 251 HA ARG 99 HA ARG 99 4.286 -10.504 -7.544 252 HB2 ARG 99 2HB ARG 99 5.610 -12.200 -5.424 253 HB3 ARG 99 1HB ARG 99 4.324 -11.042 -5.139 254 HG2 ARG 99 2HG ARG 99 2.825 -12.383 -6.533 255 HG3 ARG 99 1HG ARG 99 4.120 -13.543 -6.793 256 HD2 ARG 99 2HD ARG 99 4.255 -13.983 -4.410 257 HD3 ARG 99 1HD ARG 99 2.999 -12.788 -4.101 258 HE ARG 99 HE ARG 99 1.758 -14.445 -5.761 259 HH11 ARG 99 1HH1 ARG 99 3.748 -15.146 -2.905 260 HH12 ARG 99 2HH1 ARG 99 2.845 -16.503 -2.429 261 HH21 ARG 99 1HH2 ARG 99 0.548 -16.349 -5.132 262 HH22 ARG 99 2HH2 ARG 99 0.973 -17.218 -3.734 263 H ILE 100 H ILE 100 4.824 -9.049 -5.507 264 HA ILE 100 HA ILE 100 7.504 -7.988 -5.917 265 HB ILE 100 HB ILE 100 5.183 -6.826 -4.344 266 HG12 ILE 100 2HG1 ILE 100 6.151 -6.044 -7.103 267 HG13 ILE 100 1HG1 ILE 100 4.690 -6.966 -6.778 268 HG21 ILE 100 1HG2 ILE 100 7.788 -5.585 -5.244 269 HG22 ILE 100 2HG2 ILE 100 7.373 -6.084 -3.607 270 HG23 ILE 100 3HG2 ILE 100 6.493 -4.752 -4.371 271 HD11 ILE 100 1HD1 ILE 100 3.770 -5.063 -5.548 272 HD12 ILE 100 2HD1 ILE 100 4.180 -4.638 -7.209 273 HD13 ILE 100 3HD1 ILE 100 5.237 -4.143 -5.885 274 HA PRO 101 HA PRO 101 8.667 -9.974 -1.980 275 HB2 PRO 101 2HB PRO 101 10.507 -7.650 -1.952 276 HB3 PRO 101 1HB PRO 101 10.885 -9.373 -1.745 277 HG2 PRO 101 2HG PRO 101 11.532 -8.150 -3.981 278 HG3 PRO 101 1HG PRO 101 10.888 -9.808 -3.994 279 HD2 PRO 101 2HD PRO 101 9.534 -7.267 -4.731 280 HD3 PRO 101 1HD PRO 101 9.370 -8.892 -5.430 281 H ALA 102 H ALA 102 7.634 -9.696 -0.232 282 HA ALA 102 HA ALA 102 6.138 -7.439 0.490 283 HB1 ALA 102 1HB ALA 102 7.166 -9.653 2.277 284 HB2 ALA 102 2HB ALA 102 5.673 -9.702 1.340 285 HB3 ALA 102 3HB ALA 102 5.844 -8.545 2.659 286 H ASP 103 H ASP 103 9.359 -8.452 1.193 287 HA ASP 103 HA ASP 103 10.176 -6.581 3.095 288 HB2 ASP 103 2HB ASP 103 11.579 -8.453 2.455 289 HB3 ASP 103 1HB ASP 103 11.693 -7.850 0.808 290 H VAL 104 H VAL 104 10.064 -6.412 -0.428 291 HA VAL 104 HA VAL 104 11.161 -3.794 -0.614 292 HB VAL 104 HB VAL 104 9.577 -5.474 -2.588 293 HG11 VAL 104 1HG1 VAL 104 9.050 -3.144 -3.053 294 HG12 VAL 104 2HG1 VAL 104 10.090 -3.801 -4.317 295 HG13 VAL 104 3HG1 VAL 104 10.767 -2.736 -3.080 296 HG21 VAL 104 1HG2 VAL 104 12.433 -4.531 -2.576 297 HG22 VAL 104 2HG2 VAL 104 11.692 -5.598 -3.773 298 HG23 VAL 104 3HG2 VAL 104 11.888 -6.137 -2.103 299 H ILE 105 H ILE 105 7.882 -5.040 -0.551 300 HA ILE 105 HA ILE 105 6.530 -2.593 -0.905 301 HB ILE 105 HB ILE 105 5.617 -5.053 0.618 302 HG12 ILE 105 2HG1 ILE 105 5.140 -4.212 -2.249 303 HG13 ILE 105 1HG1 ILE 105 6.254 -5.465 -1.735 304 HG21 ILE 105 1HG2 ILE 105 3.324 -4.221 0.199 305 HG22 ILE 105 2HG2 ILE 105 3.994 -2.742 -0.486 306 HG23 ILE 105 3HG2 ILE 105 4.256 -3.123 1.213 307 HD11 ILE 105 1HD1 ILE 105 4.378 -6.784 -0.881 308 HD12 ILE 105 2HD1 ILE 105 4.169 -6.404 -2.592 309 HD13 ILE 105 3HD1 ILE 105 3.262 -5.511 -1.373 310 H ASP 106 H ASP 106 7.580 -4.278 2.013 311 HA ASP 106 HA ASP 106 6.528 -2.392 3.862 312 HB2 ASP 106 2HB ASP 106 6.994 -4.589 4.663 313 HB3 ASP 106 1HB ASP 106 8.640 -4.538 4.053 314 H ALA 107 H ALA 107 9.665 -2.789 2.328 315 HA ALA 107 HA ALA 107 10.969 -0.679 3.643 316 HB1 ALA 107 1HB ALA 107 11.405 -1.731 0.854 317 HB2 ALA 107 2HB ALA 107 12.121 -2.393 2.316 318 HB3 ALA 107 3HB ALA 107 12.559 -0.761 1.782 319 H TYR 108 H TYR 108 9.080 -0.806 0.666 320 HA TYR 108 HA TYR 108 9.323 1.836 -0.175 321 HB2 TYR 108 2HB TYR 108 8.379 0.163 -1.629 322 HB3 TYR 108 1HB TYR 108 7.067 -0.160 -0.510 323 HD1 TYR 108 1HD TYR 108 8.412 2.233 -2.953 324 HD2 TYR 108 2HD TYR 108 5.097 1.229 -0.506 325 HE1 TYR 108 1HE TYR 108 7.050 3.867 -4.151 326 HE2 TYR 108 2HE TYR 108 3.708 2.859 -1.689 327 HH TYR 108 HH TYR 108 4.114 4.954 -2.965 328 H HIS 109 H HIS 109 7.045 0.362 2.052 329 HA HIS 109 HA HIS 109 5.625 2.795 2.500 330 HB2 HIS 109 2HB HIS 109 5.482 0.066 3.696 331 HB3 HIS 109 1HB HIS 109 4.624 1.371 4.486 332 HD1 HIS 109 1HD HIS 109 2.360 2.064 3.411 333 HD2 HIS 109 2HD HIS 109 4.577 -0.568 1.068 334 HE1 HIS 109 1HE HIS 109 0.842 1.334 1.530 335 H ALA 110 H ALA 110 8.241 1.179 4.161 336 HA ALA 110 HA ALA 110 8.148 2.946 6.419 337 HB1 ALA 110 1HB ALA 110 10.243 1.888 7.090 338 HB2 ALA 110 2HB ALA 110 10.378 1.119 5.508 339 HB3 ALA 110 3HB ALA 110 9.065 0.673 6.598 340 H ALA 111 H ALA 111 9.522 3.050 3.299 341 HA ALA 111 HA ALA 111 11.463 5.079 3.877 342 HB1 ALA 111 1HB ALA 111 10.412 4.076 1.236 343 HB2 ALA 111 2HB ALA 111 11.851 3.488 2.073 344 HB3 ALA 111 3HB ALA 111 11.796 5.141 1.463 345 H ASP 112 H ASP 112 11.024 7.121 4.091 346 HA ASP 112 HA ASP 112 8.983 8.385 2.466 347 HB2 ASP 112 2HB ASP 112 7.930 7.829 4.718 348 HB3 ASP 112 1HB ASP 112 9.164 8.831 5.468 Start of MODEL 16 1 H MET 65 1HT MET 65 8.092 -17.832 -15.540 2 HA MET 65 HA MET 65 5.554 -18.646 -14.286 3 HB2 MET 65 2HB MET 65 5.160 -16.304 -13.659 4 HB3 MET 65 1HB MET 65 6.617 -16.920 -12.899 5 HG2 MET 65 2HG MET 65 7.985 -15.709 -14.493 6 HG3 MET 65 1HG MET 65 6.545 -15.157 -15.347 7 HE1 MET 65 1HE MET 65 7.711 -13.829 -11.063 8 HE2 MET 65 2HE MET 65 8.663 -14.943 -12.045 9 HE3 MET 65 3HE MET 65 7.092 -15.442 -11.417 10 H SER 66 H SER 66 6.837 -18.539 -17.182 11 HA SER 66 HA SER 66 4.760 -16.957 -18.438 12 HB2 SER 66 2HB SER 66 7.121 -18.448 -19.634 13 HB3 SER 66 1HB SER 66 6.054 -17.337 -20.489 14 HG SER 66 HG SER 66 6.750 -15.721 -18.984 15 H GLY 67 H GLY 67 3.175 -17.973 -19.704 16 HA2 GLY 67 2HA GLY 67 3.271 -20.877 -19.927 17 HA3 GLY 67 1HA GLY 67 1.895 -20.150 -19.104 18 H SER 68 H SER 68 1.150 -21.546 -21.152 19 HA SER 68 HA SER 68 1.102 -19.873 -23.506 20 HB2 SER 68 2HB SER 68 -0.186 -22.568 -23.012 21 HB3 SER 68 1HB SER 68 -0.030 -21.757 -24.572 22 HG SER 68 HG SER 68 2.188 -22.346 -22.948 23 H GLY 69 H GLY 69 -0.040 -18.125 -22.659 24 HA2 GLY 69 2HA GLY 69 -2.748 -18.101 -23.136 25 HA3 GLY 69 1HA GLY 69 -2.517 -18.338 -21.405 26 H ARG 70 H ARG 70 -3.720 -16.087 -22.011 27 HA ARG 70 HA ARG 70 -1.599 -14.080 -22.107 28 HB2 ARG 70 2HB ARG 70 -4.555 -13.738 -22.570 29 HB3 ARG 70 1HB ARG 70 -3.357 -12.454 -22.662 30 HG2 ARG 70 2HG ARG 70 -2.257 -13.665 -24.495 31 HG3 ARG 70 1HG ARG 70 -3.532 -14.877 -24.424 32 HD2 ARG 70 2HD ARG 70 -5.185 -13.111 -24.890 33 HD3 ARG 70 1HD ARG 70 -3.867 -11.950 -25.057 34 HE ARG 70 HE ARG 70 -4.570 -14.106 -26.850 35 HH11 ARG 70 1HH1 ARG 70 -2.282 -11.480 -26.074 36 HH12 ARG 70 2HH1 ARG 70 -1.597 -11.448 -27.629 37 HH21 ARG 70 1HH2 ARG 70 -3.595 -14.051 -28.965 38 HH22 ARG 70 2HH2 ARG 70 -2.331 -12.951 -29.301 39 H GLY 71 H GLY 71 -0.959 -14.133 -20.014 40 HA2 GLY 71 2HA GLY 71 -2.889 -13.836 -17.890 41 HA3 GLY 71 1HA GLY 71 -1.134 -13.822 -17.722 42 H ARG 72 H ARG 72 -0.517 -11.924 -19.576 43 HA ARG 72 HA ARG 72 -0.199 -9.749 -20.004 44 HB2 ARG 72 2HB ARG 72 -2.880 -9.262 -18.699 45 HB3 ARG 72 1HB ARG 72 -1.977 -8.090 -19.646 46 HG2 ARG 72 2HG ARG 72 -2.211 -9.515 -21.621 47 HG3 ARG 72 1HG ARG 72 -3.120 -10.686 -20.666 48 HD2 ARG 72 2HD ARG 72 -3.893 -7.829 -21.224 49 HD3 ARG 72 1HD ARG 72 -4.620 -9.265 -21.941 50 HE ARG 72 HE ARG 72 -4.782 -9.403 -19.135 51 HH11 ARG 72 1HH1 ARG 72 -6.209 -7.684 -21.857 52 HH12 ARG 72 2HH1 ARG 72 -7.704 -7.398 -21.091 53 HH21 ARG 72 1HH2 ARG 72 -6.801 -9.017 -18.067 54 HH22 ARG 72 2HH2 ARG 72 -8.044 -8.181 -18.857 55 H GLY 73 H GLY 73 -1.507 -10.230 -16.811 56 HA2 GLY 73 2HA GLY 73 0.644 -9.670 -15.316 57 HA3 GLY 73 1HA GLY 73 -0.040 -8.078 -15.664 58 H ALA 74 H ALA 74 0.037 -9.131 -13.057 59 HA ALA 74 HA ALA 74 -2.779 -9.655 -12.656 60 HB1 ALA 74 1HB ALA 74 -2.143 -10.885 -10.628 61 HB2 ALA 74 2HB ALA 74 -0.440 -10.616 -10.999 62 HB3 ALA 74 3HB ALA 74 -1.428 -11.608 -12.069 63 H ILE 75 H ILE 75 -3.774 -8.126 -11.543 64 HA ILE 75 HA ILE 75 -2.180 -6.035 -10.431 65 HB ILE 75 HB ILE 75 -5.193 -6.319 -10.530 66 HG12 ILE 75 2HG1 ILE 75 -5.007 -4.353 -12.148 67 HG13 ILE 75 1HG1 ILE 75 -3.300 -4.722 -12.262 68 HG21 ILE 75 1HG2 ILE 75 -4.569 -4.949 -8.656 69 HG22 ILE 75 2HG2 ILE 75 -5.289 -3.930 -9.906 70 HG23 ILE 75 3HG2 ILE 75 -3.538 -3.951 -9.681 71 HD11 ILE 75 1HD1 ILE 75 -4.495 -5.655 -14.150 72 HD12 ILE 75 2HD1 ILE 75 -5.582 -6.526 -13.067 73 HD13 ILE 75 3HD1 ILE 75 -3.875 -6.962 -13.142 74 H ASP 76 H ASP 76 -1.641 -6.038 -8.475 75 HA ASP 76 HA ASP 76 -3.055 -7.747 -6.528 76 HB2 ASP 76 2HB ASP 76 -0.807 -8.639 -7.120 77 HB3 ASP 76 1HB ASP 76 -0.098 -7.131 -6.538 78 H ARG 77 H ARG 77 -3.637 -6.843 -4.689 79 HA ARG 77 HA ARG 77 -4.140 -5.348 -3.158 80 HB2 ARG 77 2HB ARG 77 -1.752 -5.451 -2.579 81 HB3 ARG 77 1HB ARG 77 -1.394 -4.197 -3.750 82 HG2 ARG 77 2HG ARG 77 -2.670 -2.594 -2.448 83 HG3 ARG 77 1HG ARG 77 -3.111 -3.858 -1.300 84 HD2 ARG 77 2HD ARG 77 -0.774 -4.176 -0.720 85 HD3 ARG 77 1HD ARG 77 -0.295 -2.958 -1.899 86 HE ARG 77 HE ARG 77 -1.963 -1.577 -0.403 87 HH11 ARG 77 1HH1 ARG 77 0.653 -3.748 0.581 88 HH12 ARG 77 2HH1 ARG 77 1.047 -2.925 2.000 89 HH21 ARG 77 1HH2 ARG 77 -1.436 -0.394 1.555 90 HH22 ARG 77 2HH2 ARG 77 -0.193 -0.956 2.583 91 H GLU 78 H GLU 78 -2.333 -3.074 -5.151 92 HA GLU 78 HA GLU 78 -4.526 -2.062 -6.535 93 HB2 GLU 78 2HB GLU 78 -5.223 -1.179 -4.338 94 HB3 GLU 78 1HB GLU 78 -3.675 -0.375 -4.159 95 HG2 GLU 78 2HG GLU 78 -4.162 1.068 -6.025 96 HG3 GLU 78 1HG GLU 78 -5.657 0.199 -6.337 97 H GLN 79 H GLN 79 -1.685 -0.543 -4.957 98 HA GLN 79 HA GLN 79 -0.764 0.077 -7.658 99 HB2 GLN 79 2HB GLN 79 -0.126 1.462 -5.075 100 HB3 GLN 79 1HB GLN 79 0.598 1.833 -6.637 101 HG2 GLN 79 2HG GLN 79 -1.574 2.472 -7.522 102 HG3 GLN 79 1HG GLN 79 -2.333 2.050 -5.986 103 HE21 GLN 79 1HE2 GLN 79 -0.298 4.337 -7.642 104 HE22 GLN 79 2HE2 GLN 79 -0.430 5.566 -6.432 105 H SER 80 H SER 80 -0.105 -2.184 -7.487 106 HA SER 80 HA SER 80 2.216 -2.772 -5.923 107 HB2 SER 80 2HB SER 80 2.038 -4.888 -7.514 108 HB3 SER 80 1HB SER 80 0.938 -4.659 -6.151 109 HG SER 80 HG SER 80 -0.603 -4.488 -7.435 110 H ALA 81 H ALA 81 1.540 -1.620 -9.111 111 HA ALA 81 HA ALA 81 4.085 -2.336 -10.198 112 HB1 ALA 81 1HB ALA 81 2.097 -0.303 -11.236 113 HB2 ALA 81 2HB ALA 81 2.121 -2.013 -11.652 114 HB3 ALA 81 3HB ALA 81 3.465 -0.974 -12.121 115 H ALA 82 H ALA 82 2.752 0.372 -8.500 116 HA ALA 82 HA ALA 82 4.816 2.239 -8.936 117 HB1 ALA 82 1HB ALA 82 3.971 3.342 -6.906 118 HB2 ALA 82 2HB ALA 82 2.999 1.918 -6.541 119 HB3 ALA 82 3HB ALA 82 2.654 2.877 -7.979 120 H ILE 83 H ILE 83 4.309 -0.276 -6.559 121 HA ILE 83 HA ILE 83 6.587 0.206 -4.981 122 HB ILE 83 HB ILE 83 5.150 -2.436 -5.460 123 HG12 ILE 83 2HG1 ILE 83 4.723 -0.352 -3.298 124 HG13 ILE 83 1HG1 ILE 83 3.662 -0.608 -4.672 125 HG21 ILE 83 1HG2 ILE 83 6.946 -1.556 -3.187 126 HG22 ILE 83 2HG2 ILE 83 7.355 -2.734 -4.436 127 HG23 ILE 83 3HG2 ILE 83 6.077 -3.090 -3.274 128 HD11 ILE 83 1HD1 ILE 83 2.772 -1.599 -2.638 129 HD12 ILE 83 2HD1 ILE 83 4.224 -2.591 -2.479 130 HD13 ILE 83 3HD1 ILE 83 3.131 -2.841 -3.841 131 H ARG 84 H ARG 84 5.998 -1.854 -7.776 132 HA ARG 84 HA ARG 84 8.567 -3.001 -7.947 133 HB2 ARG 84 2HB ARG 84 6.498 -2.521 -10.096 134 HB3 ARG 84 1HB ARG 84 7.999 -3.392 -10.379 135 HG2 ARG 84 2HG ARG 84 7.344 -5.089 -8.768 136 HG3 ARG 84 1HG ARG 84 5.858 -4.199 -8.422 137 HD2 ARG 84 2HD ARG 84 5.098 -4.510 -10.695 138 HD3 ARG 84 1HD ARG 84 6.615 -5.298 -11.129 139 HE ARG 84 HE ARG 84 5.943 -7.017 -9.423 140 HH11 ARG 84 1HH1 ARG 84 3.558 -5.276 -11.368 141 HH12 ARG 84 2HH1 ARG 84 2.326 -6.454 -11.160 142 HH21 ARG 84 1HH2 ARG 84 4.278 -8.651 -9.232 143 HH22 ARG 84 2HH2 ARG 84 2.752 -8.436 -9.926 144 H GLU 85 H GLU 85 7.233 -0.131 -9.506 145 HA GLU 85 HA GLU 85 9.526 0.574 -10.962 146 HB2 GLU 85 2HB GLU 85 7.254 2.254 -9.925 147 HB3 GLU 85 1HB GLU 85 8.544 2.914 -10.916 148 HG2 GLU 85 2HG GLU 85 6.636 0.725 -11.718 149 HG3 GLU 85 1HG GLU 85 6.581 2.408 -12.247 150 H TRP 86 H TRP 86 8.470 1.553 -7.741 151 HA TRP 86 HA TRP 86 10.606 3.234 -7.096 152 HB2 TRP 86 2HB TRP 86 8.621 3.119 -5.705 153 HB3 TRP 86 1HB TRP 86 8.902 1.418 -5.373 154 HD1 TRP 86 HD TRP 86 10.111 4.900 -4.375 155 HE1 TRP 86 1HE TRP 86 11.434 4.726 -2.179 156 HE3 TRP 86 3HE TRP 86 10.260 -0.153 -3.991 157 HZ2 TRP 86 2HZ TRP 86 12.432 2.634 -0.491 158 HZ3 TRP 86 3HZ TRP 86 11.415 -1.178 -2.070 159 HH2 TRP 86 HH TRP 86 12.472 0.197 -0.362 160 H ALA 87 H ALA 87 10.198 -0.231 -6.714 161 HA ALA 87 HA ALA 87 12.620 -0.847 -5.466 162 HB1 ALA 87 1HB ALA 87 10.756 -2.384 -5.557 163 HB2 ALA 87 2HB ALA 87 12.171 -3.149 -6.304 164 HB3 ALA 87 3HB ALA 87 10.887 -2.463 -7.304 165 H ARG 88 H ARG 88 11.748 -0.722 -8.878 166 HA ARG 88 HA ARG 88 14.244 -1.541 -9.955 167 HB2 ARG 88 2HB ARG 88 12.023 0.139 -11.124 168 HB3 ARG 88 1HB ARG 88 13.363 -0.514 -12.059 169 HG2 ARG 88 2HG ARG 88 11.850 -2.467 -10.459 170 HG3 ARG 88 1HG ARG 88 10.970 -1.710 -11.784 171 HD2 ARG 88 2HD ARG 88 13.682 -2.935 -12.169 172 HD3 ARG 88 1HD ARG 88 12.200 -3.889 -12.273 173 HE ARG 88 HE ARG 88 12.050 -1.555 -13.879 174 HH11 ARG 88 1HH1 ARG 88 13.487 -4.784 -13.858 175 HH12 ARG 88 2HH1 ARG 88 13.477 -4.959 -15.544 176 HH21 ARG 88 1HH2 ARG 88 11.958 -1.809 -16.177 177 HH22 ARG 88 2HH2 ARG 88 12.580 -3.218 -16.926 178 H ARG 89 H ARG 89 12.871 1.569 -9.115 179 HA ARG 89 HA ARG 89 14.857 3.239 -10.169 180 HB2 ARG 89 2HB ARG 89 12.562 3.908 -9.432 181 HB3 ARG 89 1HB ARG 89 13.091 3.738 -7.773 182 HG2 ARG 89 2HG ARG 89 14.671 5.552 -8.064 183 HG3 ARG 89 1HG ARG 89 14.228 5.692 -9.768 184 HD2 ARG 89 2HD ARG 89 11.886 6.127 -9.054 185 HD3 ARG 89 1HD ARG 89 12.439 6.143 -7.384 186 HE ARG 89 HE ARG 89 13.986 7.962 -8.786 187 HH11 ARG 89 1HH1 ARG 89 10.583 7.568 -7.861 188 HH12 ARG 89 2HH1 ARG 89 10.225 9.229 -7.915 189 HH21 ARG 89 1HH2 ARG 89 13.501 10.252 -8.831 190 HH22 ARG 89 2HH2 ARG 89 11.942 10.811 -8.441 191 H ASN 90 H ASN 90 14.509 1.664 -7.072 192 HA ASN 90 HA ASN 90 16.956 2.771 -6.004 193 HB2 ASN 90 2HB ASN 90 15.095 0.616 -5.034 194 HB3 ASN 90 1HB ASN 90 16.614 0.921 -4.217 195 HD21 ASN 90 1HD2 ASN 90 13.444 2.098 -4.898 196 HD22 ASN 90 2HD2 ASN 90 13.438 3.359 -3.735 197 H GLY 91 H GLY 91 15.953 -0.321 -7.325 198 HA2 GLY 91 2HA GLY 91 17.496 -1.414 -8.828 199 HA3 GLY 91 1HA GLY 91 18.801 -0.961 -7.737 200 H HIS 92 H HIS 92 15.672 -2.182 -6.769 201 HA HIS 92 HA HIS 92 16.977 -4.357 -5.360 202 HB2 HIS 92 2HB HIS 92 14.022 -3.690 -5.501 203 HB3 HIS 92 1HB HIS 92 14.773 -4.820 -4.396 204 HD1 HIS 92 1HD HIS 92 17.121 -2.797 -3.457 205 HD2 HIS 92 2HD HIS 92 13.054 -1.978 -3.668 206 HE1 HIS 92 1HE HIS 92 16.701 -0.841 -1.920 207 H ASN 93 H ASN 93 15.971 -6.546 -5.565 208 HA ASN 93 HA ASN 93 15.695 -7.126 -8.376 209 HB2 ASN 93 2HB ASN 93 16.175 -8.930 -6.007 210 HB3 ASN 93 1HB ASN 93 15.839 -9.544 -7.618 211 HD21 ASN 93 1HD2 ASN 93 18.159 -7.960 -5.582 212 HD22 ASN 93 2HD2 ASN 93 19.476 -8.078 -6.694 213 H VAL 94 H VAL 94 13.718 -6.503 -8.872 214 HA VAL 94 HA VAL 94 11.543 -8.193 -7.918 215 HB VAL 94 HB VAL 94 11.261 -5.185 -8.276 216 HG11 VAL 94 1HG1 VAL 94 9.000 -5.499 -7.374 217 HG12 VAL 94 2HG1 VAL 94 9.272 -7.242 -7.338 218 HG13 VAL 94 3HG1 VAL 94 9.250 -6.387 -8.879 219 HG21 VAL 94 1HG2 VAL 94 12.472 -5.619 -6.219 220 HG22 VAL 94 2HG2 VAL 94 11.260 -6.799 -5.729 221 HG23 VAL 94 3HG2 VAL 94 10.829 -5.088 -5.845 222 H SER 95 H SER 95 10.919 -9.186 -9.681 223 HA SER 95 HA SER 95 11.549 -8.212 -12.282 224 HB2 SER 95 2HB SER 95 9.884 -10.594 -11.463 225 HB3 SER 95 1HB SER 95 10.609 -10.303 -13.045 226 HG SER 95 HG SER 95 11.865 -10.860 -10.589 227 H THR 96 H THR 96 10.157 -7.467 -13.863 228 HA THR 96 HA THR 96 7.847 -6.120 -13.111 229 HB THR 96 HB THR 96 7.747 -6.159 -15.773 230 HG1 THR 96 1HG THR 96 9.888 -6.560 -16.557 231 HG21 THR 96 1HG2 THR 96 9.374 -4.294 -15.764 232 HG22 THR 96 2HG2 THR 96 9.924 -4.790 -14.164 233 HG23 THR 96 3HG2 THR 96 8.276 -4.195 -14.387 234 H ARG 97 H ARG 97 5.811 -6.802 -13.038 235 HA ARG 97 HA ARG 97 3.968 -8.062 -13.035 236 HB2 ARG 97 2HB ARG 97 5.222 -9.482 -15.404 237 HB3 ARG 97 1HB ARG 97 3.596 -9.789 -14.834 238 HG2 ARG 97 2HG ARG 97 4.647 -7.218 -16.008 239 HG3 ARG 97 1HG ARG 97 3.537 -8.352 -16.772 240 HD2 ARG 97 2HD ARG 97 1.952 -7.922 -14.861 241 HD3 ARG 97 1HD ARG 97 3.016 -6.618 -14.361 242 HE ARG 97 HE ARG 97 1.761 -6.687 -17.019 243 HH11 ARG 97 1HH1 ARG 97 2.610 -4.831 -14.113 244 HH12 ARG 97 2HH1 ARG 97 1.724 -3.444 -14.584 245 HH21 ARG 97 1HH2 ARG 97 0.524 -4.755 -17.592 246 HH22 ARG 97 2HH2 ARG 97 0.526 -3.405 -16.548 247 H GLY 98 H GLY 98 6.728 -9.059 -11.872 248 HA2 GLY 98 2HA GLY 98 5.860 -11.810 -11.329 249 HA3 GLY 98 1HA GLY 98 7.513 -11.223 -11.211 250 H ARG 99 H ARG 99 7.146 -12.426 -9.149 251 HA ARG 99 HA ARG 99 5.530 -11.556 -7.058 252 HB2 ARG 99 2HB ARG 99 6.583 -13.715 -7.049 253 HB3 ARG 99 1HB ARG 99 8.177 -12.998 -7.092 254 HG2 ARG 99 2HG ARG 99 7.681 -13.889 -4.891 255 HG3 ARG 99 1HG ARG 99 7.860 -12.139 -4.825 256 HD2 ARG 99 2HD ARG 99 5.986 -12.918 -3.465 257 HD3 ARG 99 1HD ARG 99 5.445 -11.872 -4.775 258 HE ARG 99 HE ARG 99 5.326 -14.563 -5.575 259 HH11 ARG 99 1HH1 ARG 99 3.693 -12.334 -3.370 260 HH12 ARG 99 2HH1 ARG 99 2.169 -13.085 -3.494 261 HH21 ARG 99 1HH2 ARG 99 3.249 -15.639 -5.725 262 HH22 ARG 99 2HH2 ARG 99 1.918 -15.027 -4.858 263 H ILE 100 H ILE 100 5.629 -9.878 -5.693 264 HA ILE 100 HA ILE 100 8.019 -8.209 -5.719 265 HB ILE 100 HB ILE 100 5.304 -7.642 -4.491 266 HG12 ILE 100 2HG1 ILE 100 6.443 -6.610 -7.102 267 HG13 ILE 100 1HG1 ILE 100 5.195 -7.841 -6.969 268 HG21 ILE 100 1HG2 ILE 100 7.664 -5.834 -5.036 269 HG22 ILE 100 2HG2 ILE 100 7.157 -6.452 -3.466 270 HG23 ILE 100 3HG2 ILE 100 6.111 -5.336 -4.350 271 HD11 ILE 100 1HD1 ILE 100 4.257 -5.672 -7.497 272 HD12 ILE 100 2HD1 ILE 100 4.965 -4.994 -6.028 273 HD13 ILE 100 3HD1 ILE 100 3.708 -6.228 -5.916 274 HA PRO 101 HA PRO 101 8.985 -10.175 -1.722 275 HB2 PRO 101 2HB PRO 101 10.734 -7.785 -1.595 276 HB3 PRO 101 1HB PRO 101 11.163 -9.494 -1.382 277 HG2 PRO 101 2HG PRO 101 11.890 -8.252 -3.572 278 HG3 PRO 101 1HG PRO 101 11.280 -9.918 -3.630 279 HD2 PRO 101 2HD PRO 101 9.873 -7.394 -4.361 280 HD3 PRO 101 1HD PRO 101 9.847 -8.990 -5.152 281 H ALA 102 H ALA 102 7.866 -9.929 -0.034 282 HA ALA 102 HA ALA 102 6.205 -7.744 0.565 283 HB1 ALA 102 1HB ALA 102 5.783 -10.006 1.393 284 HB2 ALA 102 2HB ALA 102 5.829 -8.838 2.718 285 HB3 ALA 102 3HB ALA 102 7.210 -9.898 2.425 286 H ASP 103 H ASP 103 9.428 -8.576 1.553 287 HA ASP 103 HA ASP 103 9.767 -6.550 3.513 288 HB2 ASP 103 2HB ASP 103 11.818 -7.952 1.791 289 HB3 ASP 103 1HB ASP 103 12.237 -6.834 3.084 290 H VAL 104 H VAL 104 10.077 -6.624 0.041 291 HA VAL 104 HA VAL 104 11.257 -4.027 -0.155 292 HB VAL 104 HB VAL 104 9.976 -5.870 -2.179 293 HG11 VAL 104 1HG1 VAL 104 10.491 -4.224 -3.958 294 HG12 VAL 104 2HG1 VAL 104 10.902 -3.028 -2.721 295 HG13 VAL 104 3HG1 VAL 104 9.253 -3.651 -2.843 296 HG21 VAL 104 1HG2 VAL 104 12.714 -4.635 -1.942 297 HG22 VAL 104 2HG2 VAL 104 12.209 -5.793 -3.175 298 HG23 VAL 104 3HG2 VAL 104 12.280 -6.280 -1.480 299 H ILE 105 H ILE 105 7.993 -5.271 -0.262 300 HA ILE 105 HA ILE 105 6.643 -2.875 -0.834 301 HB ILE 105 HB ILE 105 5.728 -5.220 0.866 302 HG12 ILE 105 2HG1 ILE 105 5.279 -4.610 -2.057 303 HG13 ILE 105 1HG1 ILE 105 6.417 -5.786 -1.441 304 HG21 ILE 105 1HG2 ILE 105 4.331 -3.270 1.299 305 HG22 ILE 105 2HG2 ILE 105 3.430 -4.461 0.361 306 HG23 ILE 105 3HG2 ILE 105 4.086 -3.028 -0.429 307 HD11 ILE 105 1HD1 ILE 105 3.414 -5.891 -1.151 308 HD12 ILE 105 2HD1 ILE 105 4.536 -7.073 -0.490 309 HD13 ILE 105 3HD1 ILE 105 4.395 -6.871 -2.238 310 H ASP 106 H ASP 106 7.619 -4.313 2.226 311 HA ASP 106 HA ASP 106 6.564 -2.281 3.916 312 HB2 ASP 106 2HB ASP 106 7.094 -4.471 4.804 313 HB3 ASP 106 1HB ASP 106 8.780 -4.288 4.338 314 H ALA 107 H ALA 107 9.721 -2.796 2.477 315 HA ALA 107 HA ALA 107 10.999 -0.547 3.561 316 HB1 ALA 107 1HB ALA 107 12.182 -2.367 2.436 317 HB2 ALA 107 2HB ALA 107 12.587 -0.808 1.703 318 HB3 ALA 107 3HB ALA 107 11.445 -1.900 0.907 319 H TYR 108 H TYR 108 9.113 -0.975 0.616 320 HA TYR 108 HA TYR 108 9.303 1.548 -0.509 321 HB2 TYR 108 2HB TYR 108 8.293 -0.217 -1.749 322 HB3 TYR 108 1HB TYR 108 7.098 -0.514 -0.503 323 HD1 TYR 108 1HD TYR 108 8.092 1.797 -3.197 324 HD2 TYR 108 2HD TYR 108 5.033 0.664 -0.482 325 HE1 TYR 108 1HE TYR 108 6.509 3.201 -4.419 326 HE2 TYR 108 2HE TYR 108 3.427 2.070 -1.685 327 HH TYR 108 HH TYR 108 3.467 3.986 -3.100 328 H HIS 109 H HIS 109 7.075 0.326 1.895 329 HA HIS 109 HA HIS 109 5.680 2.765 2.159 330 HB2 HIS 109 2HB HIS 109 5.677 0.217 3.703 331 HB3 HIS 109 1HB HIS 109 4.806 1.587 4.352 332 HD1 HIS 109 1HD HIS 109 2.671 2.349 2.972 333 HD2 HIS 109 2HD HIS 109 4.607 -0.997 1.497 334 HE1 HIS 109 1HE HIS 109 1.087 1.296 1.292 335 H ALA 110 H ALA 110 8.314 1.311 3.957 336 HA ALA 110 HA ALA 110 8.331 3.253 6.048 337 HB1 ALA 110 1HB ALA 110 10.503 1.342 5.218 338 HB2 ALA 110 2HB ALA 110 9.192 0.974 6.336 339 HB3 ALA 110 3HB ALA 110 10.394 2.198 6.756 340 H ALA 111 H ALA 111 9.788 3.105 2.915 341 HA ALA 111 HA ALA 111 11.764 5.100 3.498 342 HB1 ALA 111 1HB ALA 111 12.213 3.358 1.843 343 HB2 ALA 111 2HB ALA 111 12.338 4.972 1.141 344 HB3 ALA 111 3HB ALA 111 10.911 3.985 0.833 345 H ASP 112 H ASP 112 11.487 7.139 3.472 346 HA ASP 112 HA ASP 112 9.158 8.341 2.136 347 HB2 ASP 112 2HB ASP 112 11.071 9.579 4.160 348 HB3 ASP 112 1HB ASP 112 9.639 10.341 3.502 Start of MODEL 17 1 H MET 65 1HT MET 65 3.381 28.461 -15.890 2 HA MET 65 HA MET 65 4.862 26.875 -16.713 3 HB2 MET 65 2HB MET 65 6.465 27.156 -14.696 4 HB3 MET 65 1HB MET 65 5.384 26.060 -13.857 5 HG2 MET 65 2HG MET 65 7.314 24.897 -14.776 6 HG3 MET 65 1HG MET 65 5.801 24.327 -15.489 7 HE1 MET 65 1HE MET 65 8.722 23.789 -16.741 8 HE2 MET 65 2HE MET 65 8.394 24.068 -18.451 9 HE3 MET 65 3HE MET 65 7.234 23.181 -17.469 10 H SER 66 H SER 66 4.040 24.717 -17.040 11 HA SER 66 HA SER 66 1.468 24.353 -15.755 12 HB2 SER 66 2HB SER 66 2.691 22.904 -18.118 13 HB3 SER 66 1HB SER 66 1.004 22.848 -17.602 14 HG SER 66 HG SER 66 1.224 25.272 -17.834 15 H GLY 67 H GLY 67 0.909 22.069 -15.096 16 HA2 GLY 67 2HA GLY 67 1.780 19.857 -14.519 17 HA3 GLY 67 1HA GLY 67 3.304 20.641 -14.123 18 H SER 68 H SER 68 0.695 22.503 -13.120 19 HA SER 68 HA SER 68 1.203 21.838 -10.347 20 HB2 SER 68 2HB SER 68 -0.667 23.902 -11.523 21 HB3 SER 68 1HB SER 68 -0.008 23.861 -9.881 22 HG SER 68 HG SER 68 2.105 23.852 -11.150 23 H GLY 69 H GLY 69 -0.879 20.872 -12.770 24 HA2 GLY 69 2HA GLY 69 -2.408 19.166 -11.168 25 HA3 GLY 69 1HA GLY 69 -3.376 20.575 -11.621 26 H ARG 70 H ARG 70 -4.588 18.782 -12.792 27 HA ARG 70 HA ARG 70 -5.273 17.895 -14.768 28 HB2 ARG 70 2HB ARG 70 -4.770 20.176 -15.617 29 HB3 ARG 70 1HB ARG 70 -3.111 19.710 -15.903 30 HG2 ARG 70 2HG ARG 70 -3.837 18.220 -17.688 31 HG3 ARG 70 1HG ARG 70 -5.523 18.637 -17.359 32 HD2 ARG 70 2HD ARG 70 -5.148 20.913 -17.918 33 HD3 ARG 70 1HD ARG 70 -3.409 20.666 -18.042 34 HE ARG 70 HE ARG 70 -4.588 18.977 -19.870 35 HH11 ARG 70 1HH1 ARG 70 -4.566 22.480 -19.301 36 HH12 ARG 70 2HH1 ARG 70 -4.575 22.895 -20.942 37 HH21 ARG 70 1HH2 ARG 70 -4.556 19.551 -22.149 38 HH22 ARG 70 2HH2 ARG 70 -4.543 21.197 -22.598 39 H GLY 71 H GLY 71 -3.153 16.817 -13.153 40 HA2 GLY 71 2HA GLY 71 -2.508 14.531 -14.725 41 HA3 GLY 71 1HA GLY 71 -1.085 15.506 -14.342 42 H ARG 72 H ARG 72 -3.975 14.270 -12.794 43 HA ARG 72 HA ARG 72 -2.809 14.403 -10.172 44 HB2 ARG 72 2HB ARG 72 -5.366 13.066 -11.060 45 HB3 ARG 72 1HB ARG 72 -4.904 13.410 -9.404 46 HG2 ARG 72 2HG ARG 72 -4.964 15.805 -9.891 47 HG3 ARG 72 1HG ARG 72 -5.437 15.455 -11.548 48 HD2 ARG 72 2HD ARG 72 -7.443 14.302 -10.683 49 HD3 ARG 72 1HD ARG 72 -6.981 14.788 -9.051 50 HE ARG 72 HE ARG 72 -7.215 16.898 -11.009 51 HH11 ARG 72 1HH1 ARG 72 -8.760 15.150 -8.341 52 HH12 ARG 72 2HH1 ARG 72 -9.957 16.329 -8.096 53 HH21 ARG 72 1HH2 ARG 72 -8.862 18.519 -10.642 54 HH22 ARG 72 2HH2 ARG 72 -10.023 18.287 -9.424 55 H GLY 73 H GLY 73 -4.077 11.686 -12.094 56 HA2 GLY 73 2HA GLY 73 -2.191 9.940 -12.260 57 HA3 GLY 73 1HA GLY 73 -2.425 9.897 -10.517 58 H ALA 74 H ALA 74 -3.306 7.925 -10.282 59 HA ALA 74 HA ALA 74 -5.714 7.280 -11.823 60 HB1 ALA 74 1HB ALA 74 -3.852 5.690 -12.138 61 HB2 ALA 74 2HB ALA 74 -5.170 4.940 -11.243 62 HB3 ALA 74 3HB ALA 74 -3.726 5.488 -10.391 63 H ILE 75 H ILE 75 -6.587 5.331 -9.987 64 HA ILE 75 HA ILE 75 -7.191 7.114 -7.804 65 HB ILE 75 HB ILE 75 -8.806 4.779 -8.880 66 HG12 ILE 75 2HG1 ILE 75 -9.388 7.750 -9.024 67 HG13 ILE 75 1HG1 ILE 75 -8.734 6.795 -10.345 68 HG21 ILE 75 1HG2 ILE 75 -9.496 6.757 -6.710 69 HG22 ILE 75 2HG2 ILE 75 -9.113 5.052 -6.480 70 HG23 ILE 75 3HG2 ILE 75 -10.577 5.518 -7.352 71 HD11 ILE 75 1HD1 ILE 75 -11.425 6.411 -9.052 72 HD12 ILE 75 2HD1 ILE 75 -10.767 5.476 -10.403 73 HD13 ILE 75 3HD1 ILE 75 -11.104 7.191 -10.605 74 H ASP 76 H ASP 76 -6.655 6.415 -5.824 75 HA ASP 76 HA ASP 76 -4.816 4.289 -5.552 76 HB2 ASP 76 2HB ASP 76 -4.718 6.222 -4.063 77 HB3 ASP 76 1HB ASP 76 -6.274 5.780 -3.373 78 H ARG 77 H ARG 77 -5.381 2.317 -5.846 79 HA ARG 77 HA ARG 77 -7.415 1.104 -4.068 80 HB2 ARG 77 2HB ARG 77 -6.838 0.170 -6.894 81 HB3 ARG 77 1HB ARG 77 -8.056 -0.438 -5.799 82 HG2 ARG 77 2HG ARG 77 -9.340 1.572 -6.043 83 HG3 ARG 77 1HG ARG 77 -8.035 2.281 -7.021 84 HD2 ARG 77 2HD ARG 77 -9.593 -0.196 -7.733 85 HD3 ARG 77 1HD ARG 77 -9.854 1.405 -8.430 86 HE ARG 77 HE ARG 77 -7.250 1.002 -8.890 87 HH11 ARG 77 1HH1 ARG 77 -10.069 -1.044 -9.571 88 HH12 ARG 77 2HH1 ARG 77 -9.405 -1.788 -10.937 89 HH21 ARG 77 1HH2 ARG 77 -6.289 -0.066 -10.785 90 HH22 ARG 77 2HH2 ARG 77 -7.188 -1.231 -11.631 91 H GLU 78 H GLU 78 -4.911 0.534 -6.452 92 HA GLU 78 HA GLU 78 -3.611 -1.415 -4.713 93 HB2 GLU 78 2HB GLU 78 -4.891 -2.450 -6.538 94 HB3 GLU 78 1HB GLU 78 -4.040 -1.457 -7.697 95 HG2 GLU 78 2HG GLU 78 -1.897 -2.531 -6.862 96 HG3 GLU 78 1HG GLU 78 -2.923 -3.679 -6.005 97 H GLN 79 H GLN 79 -1.651 -0.558 -4.243 98 HA GLN 79 HA GLN 79 -0.273 0.920 -6.346 99 HB2 GLN 79 2HB GLN 79 0.345 0.762 -3.379 100 HB3 GLN 79 1HB GLN 79 1.346 1.583 -4.561 101 HG2 GLN 79 2HG GLN 79 -0.543 3.095 -5.053 102 HG3 GLN 79 1HG GLN 79 -1.466 2.309 -3.772 103 HE21 GLN 79 1HE2 GLN 79 -0.871 2.669 -1.634 104 HE22 GLN 79 2HE2 GLN 79 0.192 3.941 -1.173 105 H SER 80 H SER 80 0.477 -0.662 -7.553 106 HA SER 80 HA SER 80 2.238 -2.612 -6.262 107 HB2 SER 80 2HB SER 80 1.600 -4.118 -8.149 108 HB3 SER 80 1HB SER 80 0.265 -3.736 -7.061 109 HG SER 80 HG SER 80 -0.668 -3.261 -8.921 110 H ALA 81 H ALA 81 1.464 -0.987 -9.294 111 HA ALA 81 HA ALA 81 3.884 -1.389 -10.615 112 HB1 ALA 81 1HB ALA 81 1.949 0.906 -10.939 113 HB2 ALA 81 2HB ALA 81 1.839 -0.657 -11.746 114 HB3 ALA 81 3HB ALA 81 3.188 0.423 -12.096 115 H ALA 82 H ALA 82 2.760 1.225 -8.589 116 HA ALA 82 HA ALA 82 4.993 2.904 -8.849 117 HB1 ALA 82 1HB ALA 82 4.180 4.031 -6.850 118 HB2 ALA 82 2HB ALA 82 3.118 2.667 -6.500 119 HB3 ALA 82 3HB ALA 82 2.841 3.655 -7.935 120 H ILE 83 H ILE 83 4.381 0.182 -6.712 121 HA ILE 83 HA ILE 83 6.679 0.648 -5.096 122 HB ILE 83 HB ILE 83 5.111 -1.933 -5.477 123 HG12 ILE 83 2HG1 ILE 83 4.935 0.198 -3.328 124 HG13 ILE 83 1HG1 ILE 83 3.722 -0.141 -4.555 125 HG21 ILE 83 1HG2 ILE 83 6.163 -2.656 -3.364 126 HG22 ILE 83 2HG2 ILE 83 7.126 -1.177 -3.348 127 HG23 ILE 83 3HG2 ILE 83 7.365 -2.366 -4.624 128 HD11 ILE 83 1HD1 ILE 83 3.328 -2.335 -3.564 129 HD12 ILE 83 2HD1 ILE 83 3.090 -1.046 -2.378 130 HD13 ILE 83 3HD1 ILE 83 4.565 -2.011 -2.347 131 H ARG 84 H ARG 84 5.951 -1.430 -7.856 132 HA ARG 84 HA ARG 84 8.471 -2.677 -8.061 133 HB2 ARG 84 2HB ARG 84 6.501 -2.055 -10.276 134 HB3 ARG 84 1HB ARG 84 7.891 -3.115 -10.450 135 HG2 ARG 84 2HG ARG 84 6.958 -4.596 -8.742 136 HG3 ARG 84 1HG ARG 84 5.546 -3.544 -8.622 137 HD2 ARG 84 2HD ARG 84 6.437 -5.057 -11.081 138 HD3 ARG 84 1HD ARG 84 5.107 -5.510 -10.022 139 HE ARG 84 HE ARG 84 5.180 -3.105 -11.726 140 HH11 ARG 84 1HH1 ARG 84 3.299 -5.675 -10.107 141 HH12 ARG 84 2HH1 ARG 84 1.816 -5.211 -10.761 142 HH21 ARG 84 1HH2 ARG 84 3.126 -2.519 -12.711 143 HH22 ARG 84 2HH2 ARG 84 1.722 -3.376 -12.325 144 H GLU 85 H GLU 85 7.286 0.327 -9.391 145 HA GLU 85 HA GLU 85 9.632 0.810 -10.903 146 HB2 GLU 85 2HB GLU 85 7.363 2.616 -10.123 147 HB3 GLU 85 1HB GLU 85 8.689 3.113 -11.166 148 HG2 GLU 85 2HG GLU 85 8.122 1.342 -12.747 149 HG3 GLU 85 1HG GLU 85 6.809 0.833 -11.690 150 H TRP 86 H TRP 86 8.529 1.911 -7.737 151 HA TRP 86 HA TRP 86 10.700 3.598 -7.143 152 HB2 TRP 86 2HB TRP 86 8.761 3.604 -5.698 153 HB3 TRP 86 1HB TRP 86 8.916 1.884 -5.388 154 HD1 TRP 86 HD TRP 86 10.420 5.264 -4.322 155 HE1 TRP 86 1HE TRP 86 11.707 4.930 -2.136 156 HE3 TRP 86 3HE TRP 86 10.148 0.165 -3.976 157 HZ2 TRP 86 2HZ TRP 86 12.508 2.784 -0.468 158 HZ3 TRP 86 3HZ TRP 86 11.202 -0.932 -2.043 159 HH2 TRP 86 HH TRP 86 12.352 0.355 -0.338 160 H ALA 87 H ALA 87 10.184 0.176 -6.638 161 HA ALA 87 HA ALA 87 12.548 -0.436 -5.322 162 HB1 ALA 87 1HB ALA 87 10.842 -2.138 -7.100 163 HB2 ALA 87 2HB ALA 87 10.584 -1.850 -5.387 164 HB3 ALA 87 3HB ALA 87 12.016 -2.736 -5.930 165 H ARG 88 H ARG 88 11.739 -0.693 -8.755 166 HA ARG 88 HA ARG 88 14.398 -1.534 -9.333 167 HB2 ARG 88 2HB ARG 88 12.136 -0.795 -11.157 168 HB3 ARG 88 1HB ARG 88 13.679 -1.441 -11.708 169 HG2 ARG 88 2HG ARG 88 13.307 -3.450 -10.317 170 HG3 ARG 88 1HG ARG 88 11.725 -2.817 -9.873 171 HD2 ARG 88 2HD ARG 88 11.540 -4.462 -11.634 172 HD3 ARG 88 1HD ARG 88 11.058 -2.871 -12.218 173 HE ARG 88 HE ARG 88 13.264 -2.701 -13.237 174 HH11 ARG 88 1HH1 ARG 88 12.223 -5.991 -12.347 175 HH12 ARG 88 2HH1 ARG 88 13.009 -6.729 -13.657 176 HH21 ARG 88 1HH2 ARG 88 14.378 -3.750 -14.991 177 HH22 ARG 88 2HH2 ARG 88 14.275 -5.438 -15.180 178 H ARG 89 H ARG 89 12.891 1.516 -9.042 179 HA ARG 89 HA ARG 89 14.753 3.014 -10.533 180 HB2 ARG 89 2HB ARG 89 12.604 3.932 -9.673 181 HB3 ARG 89 1HB ARG 89 13.204 3.778 -8.036 182 HG2 ARG 89 2HG ARG 89 14.934 5.467 -8.545 183 HG3 ARG 89 1HG ARG 89 14.258 5.637 -10.165 184 HD2 ARG 89 2HD ARG 89 12.107 6.307 -9.209 185 HD3 ARG 89 1HD ARG 89 12.771 6.120 -7.590 186 HE ARG 89 HE ARG 89 14.091 7.998 -9.377 187 HH11 ARG 89 1HH1 ARG 89 11.786 7.575 -6.699 188 HH12 ARG 89 2HH1 ARG 89 11.949 9.183 -6.149 189 HH21 ARG 89 1HH2 ARG 89 14.236 10.216 -8.626 190 HH22 ARG 89 2HH2 ARG 89 13.371 10.711 -7.245 191 H ASN 90 H ASN 90 14.553 1.914 -7.191 192 HA ASN 90 HA ASN 90 17.084 2.921 -6.350 193 HB2 ASN 90 2HB ASN 90 15.184 0.908 -5.219 194 HB3 ASN 90 1HB ASN 90 16.771 1.070 -4.506 195 HD21 ASN 90 1HD2 ASN 90 13.651 2.454 -4.909 196 HD22 ASN 90 2HD2 ASN 90 13.864 3.742 -3.782 197 H GLY 91 H GLY 91 15.962 -0.159 -7.523 198 HA2 GLY 91 2HA GLY 91 17.478 -1.423 -8.971 199 HA3 GLY 91 1HA GLY 91 18.782 -0.947 -7.886 200 H HIS 92 H HIS 92 15.653 -1.890 -6.673 201 HA HIS 92 HA HIS 92 16.853 -4.098 -5.247 202 HB2 HIS 92 2HB HIS 92 13.927 -3.271 -5.373 203 HB3 HIS 92 1HB HIS 92 14.629 -4.401 -4.232 204 HD1 HIS 92 1HD HIS 92 17.028 -2.668 -3.219 205 HD2 HIS 92 2HD HIS 92 13.152 -1.292 -3.740 206 HE1 HIS 92 1HE HIS 92 16.818 -0.543 -1.845 207 H ASN 93 H ASN 93 15.845 -6.280 -5.409 208 HA ASN 93 HA ASN 93 15.625 -6.887 -8.236 209 HB2 ASN 93 2HB ASN 93 15.924 -8.734 -5.864 210 HB3 ASN 93 1HB ASN 93 15.816 -9.276 -7.532 211 HD21 ASN 93 1HD2 ASN 93 17.945 -9.580 -5.588 212 HD22 ASN 93 2HD2 ASN 93 19.354 -8.901 -6.294 213 H VAL 94 H VAL 94 13.637 -6.291 -8.817 214 HA VAL 94 HA VAL 94 11.457 -7.873 -7.679 215 HB VAL 94 HB VAL 94 11.235 -5.003 -8.651 216 HG11 VAL 94 1HG1 VAL 94 9.152 -6.831 -7.454 217 HG12 VAL 94 2HG1 VAL 94 9.209 -6.266 -9.124 218 HG13 VAL 94 3HG1 VAL 94 8.926 -5.122 -7.812 219 HG21 VAL 94 1HG2 VAL 94 11.104 -6.150 -5.871 220 HG22 VAL 94 2HG2 VAL 94 10.668 -4.495 -6.299 221 HG23 VAL 94 3HG2 VAL 94 12.330 -5.053 -6.509 222 H SER 95 H SER 95 11.032 -9.307 -9.172 223 HA SER 95 HA SER 95 11.392 -8.807 -11.928 224 HB2 SER 95 2HB SER 95 10.006 -11.072 -10.485 225 HB3 SER 95 1HB SER 95 10.523 -11.077 -12.173 226 HG SER 95 HG SER 95 12.662 -10.439 -11.025 227 H THR 96 H THR 96 9.887 -8.038 -13.332 228 HA THR 96 HA THR 96 7.520 -6.945 -12.297 229 HB THR 96 HB THR 96 7.107 -6.511 -14.815 230 HG1 THR 96 1HG THR 96 8.646 -7.079 -16.150 231 HG21 THR 96 1HG2 THR 96 9.595 -5.459 -13.465 232 HG22 THR 96 2HG2 THR 96 7.958 -4.854 -13.218 233 HG23 THR 96 3HG2 THR 96 8.732 -4.683 -14.794 234 H ARG 97 H ARG 97 8.313 -9.892 -13.898 235 HA ARG 97 HA ARG 97 5.502 -10.647 -13.706 236 HB2 ARG 97 2HB ARG 97 7.675 -11.762 -15.465 237 HB3 ARG 97 1HB ARG 97 6.128 -12.556 -15.220 238 HG2 ARG 97 2HG ARG 97 4.972 -10.637 -16.149 239 HG3 ARG 97 1HG ARG 97 6.511 -9.799 -16.354 240 HD2 ARG 97 2HD ARG 97 5.676 -10.823 -18.419 241 HD3 ARG 97 1HD ARG 97 7.252 -11.462 -17.942 242 HE ARG 97 HE ARG 97 5.780 -13.322 -16.923 243 HH11 ARG 97 1HH1 ARG 97 5.106 -11.665 -19.991 244 HH12 ARG 97 2HH1 ARG 97 4.335 -13.007 -20.680 245 HH21 ARG 97 1HH2 ARG 97 4.748 -15.123 -17.869 246 HH22 ARG 97 2HH2 ARG 97 4.108 -15.033 -19.447 247 H GLY 98 H GLY 98 5.544 -11.111 -11.602 248 HA2 GLY 98 2HA GLY 98 6.067 -13.716 -10.876 249 HA3 GLY 98 1HA GLY 98 7.449 -12.760 -10.344 250 H ARG 99 H ARG 99 7.225 -11.313 -8.685 251 HA ARG 99 HA ARG 99 4.710 -10.697 -7.513 252 HB2 ARG 99 2HB ARG 99 5.018 -12.986 -6.662 253 HB3 ARG 99 1HB ARG 99 6.627 -12.583 -6.107 254 HG2 ARG 99 2HG ARG 99 5.073 -12.675 -4.230 255 HG3 ARG 99 1HG ARG 99 5.653 -11.030 -4.460 256 HD2 ARG 99 2HD ARG 99 3.595 -10.424 -5.571 257 HD3 ARG 99 1HD ARG 99 3.006 -12.081 -5.457 258 HE ARG 99 HE ARG 99 3.350 -11.609 -2.928 259 HH11 ARG 99 1HH1 ARG 99 2.064 -9.275 -5.299 260 HH12 ARG 99 2HH1 ARG 99 1.047 -8.488 -4.194 261 HH21 ARG 99 1HH2 ARG 99 1.909 -10.476 -1.384 262 HH22 ARG 99 2HH2 ARG 99 0.930 -9.213 -1.956 263 H ILE 100 H ILE 100 5.002 -8.976 -6.112 264 HA ILE 100 HA ILE 100 7.582 -7.727 -6.125 265 HB ILE 100 HB ILE 100 5.069 -6.948 -4.611 266 HG12 ILE 100 2HG1 ILE 100 6.085 -5.855 -7.242 267 HG13 ILE 100 1HG1 ILE 100 4.780 -7.021 -7.107 268 HG21 ILE 100 1HG2 ILE 100 7.550 -5.364 -5.312 269 HG22 ILE 100 2HG2 ILE 100 7.135 -6.005 -3.726 270 HG23 ILE 100 3HG2 ILE 100 6.135 -4.738 -4.451 271 HD11 ILE 100 1HD1 ILE 100 4.789 -4.222 -5.994 272 HD12 ILE 100 2HD1 ILE 100 3.476 -5.384 -5.826 273 HD13 ILE 100 3HD1 ILE 100 3.918 -4.780 -7.422 274 HA PRO 101 HA PRO 101 8.860 -9.903 -2.333 275 HB2 PRO 101 2HB PRO 101 10.621 -7.515 -2.255 276 HB3 PRO 101 1HB PRO 101 11.056 -9.229 -2.111 277 HG2 PRO 101 2HG PRO 101 11.615 -7.941 -4.322 278 HG3 PRO 101 1HG PRO 101 10.997 -9.605 -4.374 279 HD2 PRO 101 2HD PRO 101 9.562 -7.063 -4.964 280 HD3 PRO 101 1HD PRO 101 9.427 -8.660 -5.736 281 H ALA 102 H ALA 102 7.850 -9.735 -0.561 282 HA ALA 102 HA ALA 102 6.345 -7.503 0.286 283 HB1 ALA 102 1HB ALA 102 5.981 -8.739 2.361 284 HB2 ALA 102 2HB ALA 102 7.272 -9.860 1.932 285 HB3 ALA 102 3HB ALA 102 5.797 -9.800 0.965 286 H ASP 103 H ASP 103 9.567 -8.575 0.917 287 HA ASP 103 HA ASP 103 10.283 -6.799 2.970 288 HB2 ASP 103 2HB ASP 103 11.771 -8.614 2.383 289 HB3 ASP 103 1HB ASP 103 11.923 -8.017 0.737 290 H VAL 104 H VAL 104 10.227 -6.479 -0.527 291 HA VAL 104 HA VAL 104 11.286 -3.839 -0.597 292 HB VAL 104 HB VAL 104 9.774 -5.502 -2.634 293 HG11 VAL 104 1HG1 VAL 104 9.079 -3.188 -2.970 294 HG12 VAL 104 2HG1 VAL 104 10.131 -3.733 -4.281 295 HG13 VAL 104 3HG1 VAL 104 10.770 -2.672 -3.019 296 HG21 VAL 104 1HG2 VAL 104 12.559 -4.359 -2.574 297 HG22 VAL 104 2HG2 VAL 104 11.888 -5.387 -3.841 298 HG23 VAL 104 3HG2 VAL 104 12.127 -6.028 -2.216 299 H ILE 105 H ILE 105 8.040 -5.165 -0.556 300 HA ILE 105 HA ILE 105 6.614 -2.772 -0.812 301 HB ILE 105 HB ILE 105 5.823 -5.277 0.710 302 HG12 ILE 105 2HG1 ILE 105 5.252 -4.412 -2.129 303 HG13 ILE 105 1HG1 ILE 105 6.403 -5.640 -1.659 304 HG21 ILE 105 1HG2 ILE 105 3.516 -4.517 0.383 305 HG22 ILE 105 2HG2 ILE 105 4.105 -3.024 -0.344 306 HG23 ILE 105 3HG2 ILE 105 4.439 -3.371 1.353 307 HD11 ILE 105 1HD1 ILE 105 3.417 -5.772 -1.243 308 HD12 ILE 105 2HD1 ILE 105 4.566 -7.024 -0.778 309 HD13 ILE 105 3HD1 ILE 105 4.331 -6.631 -2.481 310 H ASP 106 H ASP 106 7.767 -4.443 2.097 311 HA ASP 106 HA ASP 106 6.710 -2.531 3.920 312 HB2 ASP 106 2HB ASP 106 7.362 -4.824 4.622 313 HB3 ASP 106 1HB ASP 106 9.048 -4.410 4.340 314 H ALA 107 H ALA 107 9.747 -2.841 2.231 315 HA ALA 107 HA ALA 107 11.089 -0.716 3.500 316 HB1 ALA 107 1HB ALA 107 12.236 -2.405 2.144 317 HB2 ALA 107 2HB ALA 107 12.596 -0.775 1.568 318 HB3 ALA 107 3HB ALA 107 11.432 -1.787 0.704 319 H TYR 108 H TYR 108 9.055 -0.880 0.630 320 HA TYR 108 HA TYR 108 9.222 1.786 -0.211 321 HB2 TYR 108 2HB TYR 108 8.253 0.093 -1.633 322 HB3 TYR 108 1HB TYR 108 6.975 -0.228 -0.472 323 HD1 TYR 108 1HD TYR 108 8.218 2.166 -2.986 324 HD2 TYR 108 2HD TYR 108 4.982 1.159 -0.422 325 HE1 TYR 108 1HE TYR 108 6.779 3.767 -4.176 326 HE2 TYR 108 2HE TYR 108 3.541 2.757 -1.601 327 HH TYR 108 HH TYR 108 3.760 4.749 -2.972 328 H HIS 109 H HIS 109 7.126 0.220 2.106 329 HA HIS 109 HA HIS 109 5.662 2.601 2.677 330 HB2 HIS 109 2HB HIS 109 5.705 -0.129 3.915 331 HB3 HIS 109 1HB HIS 109 4.802 1.173 4.669 332 HD1 HIS 109 1HD HIS 109 2.389 1.200 3.949 333 HD2 HIS 109 2HD HIS 109 4.872 -0.422 1.036 334 HE1 HIS 109 1HE HIS 109 0.894 0.510 2.049 335 H ALA 110 H ALA 110 8.549 1.193 3.981 336 HA ALA 110 HA ALA 110 8.444 2.834 6.360 337 HB1 ALA 110 1HB ALA 110 10.708 1.150 5.301 338 HB2 ALA 110 2HB ALA 110 9.475 0.603 6.439 339 HB3 ALA 110 3HB ALA 110 10.612 1.867 6.906 340 H ALA 111 H ALA 111 10.120 2.893 3.267 341 HA ALA 111 HA ALA 111 11.783 5.103 3.996 342 HB1 ALA 111 1HB ALA 111 12.548 5.044 1.683 343 HB2 ALA 111 2HB ALA 111 11.248 3.926 1.270 344 HB3 ALA 111 3HB ALA 111 12.530 3.419 2.371 345 H ASP 112 H ASP 112 11.268 7.137 3.948 346 HA ASP 112 HA ASP 112 8.734 7.979 2.843 347 HB2 ASP 112 2HB ASP 112 9.369 8.859 5.034 348 HB3 ASP 112 1HB ASP 112 10.840 9.543 4.355 Start of MODEL 18 1 H MET 65 1HT MET 65 6.264 11.365 27.731 2 HA MET 65 HA MET 65 4.534 9.849 26.975 3 HB2 MET 65 2HB MET 65 4.486 12.509 25.510 4 HB3 MET 65 1HB MET 65 3.094 11.484 25.783 5 HG2 MET 65 2HG MET 65 4.722 12.806 27.941 6 HG3 MET 65 1HG MET 65 3.185 13.396 27.322 7 HE1 MET 65 1HE MET 65 2.145 13.486 29.721 8 HE2 MET 65 2HE MET 65 3.667 12.944 30.427 9 HE3 MET 65 3HE MET 65 2.159 12.148 30.867 10 H SER 66 H SER 66 4.893 8.115 25.699 11 HA SER 66 HA SER 66 5.947 8.487 23.066 12 HB2 SER 66 2HB SER 66 6.665 6.633 24.582 13 HB3 SER 66 1HB SER 66 5.048 5.947 24.441 14 HG SER 66 HG SER 66 5.575 5.140 22.581 15 H GLY 67 H GLY 67 4.386 9.507 21.905 16 HA2 GLY 67 2HA GLY 67 1.779 8.229 21.692 17 HA3 GLY 67 1HA GLY 67 2.242 9.784 20.999 18 H SER 68 H SER 68 2.172 6.380 20.559 19 HA SER 68 HA SER 68 3.890 6.189 18.341 20 HB2 SER 68 2HB SER 68 1.547 4.441 19.102 21 HB3 SER 68 1HB SER 68 2.948 3.978 18.129 22 HG SER 68 HG SER 68 4.240 4.131 19.869 23 H GLY 69 H GLY 69 3.444 7.589 16.700 24 HA2 GLY 69 2HA GLY 69 0.885 7.258 15.342 25 HA3 GLY 69 1HA GLY 69 1.342 8.877 15.855 26 H ARG 70 H ARG 70 3.133 6.228 14.383 27 HA ARG 70 HA ARG 70 4.236 8.038 12.401 28 HB2 ARG 70 2HB ARG 70 5.726 6.277 13.249 29 HB3 ARG 70 1HB ARG 70 4.568 5.046 12.784 30 HG2 ARG 70 2HG ARG 70 4.906 5.525 10.437 31 HG3 ARG 70 1HG ARG 70 5.977 6.861 10.837 32 HD2 ARG 70 2HD ARG 70 6.519 3.998 11.606 33 HD3 ARG 70 1HD ARG 70 7.128 4.746 10.128 34 HE ARG 70 HE ARG 70 7.754 6.254 12.453 35 HH11 ARG 70 1HH1 ARG 70 8.794 3.391 10.678 36 HH12 ARG 70 2HH1 ARG 70 10.441 3.558 11.093 37 HH21 ARG 70 1HH2 ARG 70 10.058 6.488 13.011 38 HH22 ARG 70 2HH2 ARG 70 11.162 5.379 12.378 39 H GLY 71 H GLY 71 2.141 5.219 12.558 40 HA2 GLY 71 2HA GLY 71 0.588 6.145 10.359 41 HA3 GLY 71 1HA GLY 71 1.556 4.719 9.995 42 H ARG 72 H ARG 72 -1.088 4.543 9.897 43 HA ARG 72 HA ARG 72 -2.041 3.379 12.402 44 HB2 ARG 72 2HB ARG 72 -3.371 3.783 9.720 45 HB3 ARG 72 1HB ARG 72 -4.164 3.124 11.135 46 HG2 ARG 72 2HG ARG 72 -3.872 5.232 12.311 47 HG3 ARG 72 1HG ARG 72 -2.999 5.894 10.929 48 HD2 ARG 72 2HD ARG 72 -5.344 6.623 10.958 49 HD3 ARG 72 1HD ARG 72 -4.975 5.650 9.533 50 HE ARG 72 HE ARG 72 -5.992 4.097 11.703 51 HH11 ARG 72 1HH1 ARG 72 -6.983 6.139 8.971 52 HH12 ARG 72 2HH1 ARG 72 -8.520 5.430 8.848 53 HH21 ARG 72 1HH2 ARG 72 -8.112 3.146 11.497 54 HH22 ARG 72 2HH2 ARG 72 -9.187 3.728 10.329 55 H GLY 73 H GLY 73 -1.615 2.537 9.002 56 HA2 GLY 73 2HA GLY 73 -0.578 -0.019 9.615 57 HA3 GLY 73 1HA GLY 73 -2.213 -0.083 8.958 58 H ALA 74 H ALA 74 0.779 -0.460 7.980 59 HA ALA 74 HA ALA 74 0.496 1.200 5.633 60 HB1 ALA 74 1HB ALA 74 2.827 -0.468 6.593 61 HB2 ALA 74 2HB ALA 74 2.697 1.290 6.710 62 HB3 ALA 74 3HB ALA 74 2.818 0.509 5.128 63 H ILE 75 H ILE 75 -1.126 0.176 4.755 64 HA ILE 75 HA ILE 75 -0.778 -2.635 4.157 65 HB ILE 75 HB ILE 75 -3.314 -1.018 4.228 66 HG12 ILE 75 2HG1 ILE 75 -2.349 -2.984 6.313 67 HG13 ILE 75 1HG1 ILE 75 -2.067 -1.254 6.432 68 HG21 ILE 75 1HG2 ILE 75 -3.415 -2.999 2.809 69 HG22 ILE 75 2HG2 ILE 75 -4.399 -3.221 4.259 70 HG23 ILE 75 3HG2 ILE 75 -2.820 -3.998 4.140 71 HD11 ILE 75 1HD1 ILE 75 -3.959 -1.959 7.760 72 HD12 ILE 75 2HD1 ILE 75 -4.765 -2.580 6.306 73 HD13 ILE 75 3HD1 ILE 75 -4.420 -0.849 6.474 74 H ASP 76 H ASP 76 -0.490 -3.040 2.051 75 HA ASP 76 HA ASP 76 -0.667 -0.931 0.118 76 HB2 ASP 76 2HB ASP 76 0.298 -2.532 -1.474 77 HB3 ASP 76 1HB ASP 76 1.219 -2.530 0.020 78 H ARG 77 H ARG 77 -2.217 -0.544 -1.184 79 HA ARG 77 HA ARG 77 -4.263 -2.562 -1.792 80 HB2 ARG 77 2HB ARG 77 -5.147 -1.164 0.009 81 HB3 ARG 77 1HB ARG 77 -4.750 0.287 -0.883 82 HG2 ARG 77 2HG ARG 77 -7.138 -0.128 -0.953 83 HG3 ARG 77 1HG ARG 77 -6.446 -0.281 -2.565 84 HD2 ARG 77 2HD ARG 77 -6.956 -2.650 -0.772 85 HD3 ARG 77 1HD ARG 77 -8.179 -2.008 -1.860 86 HE ARG 77 HE ARG 77 -6.307 -2.401 -3.602 87 HH11 ARG 77 1HH1 ARG 77 -7.022 -4.520 -0.863 88 HH12 ARG 77 2HH1 ARG 77 -6.602 -5.938 -1.696 89 HH21 ARG 77 1HH2 ARG 77 -5.729 -4.334 -4.711 90 HH22 ARG 77 2HH2 ARG 77 -5.871 -5.841 -3.956 91 H GLU 78 H GLU 78 -3.280 0.754 -2.442 92 HA GLU 78 HA GLU 78 -3.817 0.350 -5.281 93 HB2 GLU 78 2HB GLU 78 -4.865 2.252 -4.130 94 HB3 GLU 78 1HB GLU 78 -3.281 2.850 -3.679 95 HG2 GLU 78 2HG GLU 78 -2.751 3.327 -5.957 96 HG3 GLU 78 1HG GLU 78 -4.236 2.546 -6.509 97 H GLN 79 H GLN 79 -1.322 0.906 -2.964 98 HA GLN 79 HA GLN 79 0.785 1.545 -4.764 99 HB2 GLN 79 2HB GLN 79 0.712 0.595 -1.912 100 HB3 GLN 79 1HB GLN 79 2.226 0.649 -2.788 101 HG2 GLN 79 2HG GLN 79 1.930 2.582 -1.357 102 HG3 GLN 79 1HG GLN 79 2.011 3.057 -3.055 103 HE21 GLN 79 1HE2 GLN 79 0.234 4.031 -3.946 104 HE22 GLN 79 2HE2 GLN 79 -1.110 4.549 -2.996 105 H SER 80 H SER 80 1.322 0.174 -6.321 106 HA SER 80 HA SER 80 2.358 -2.395 -5.595 107 HB2 SER 80 2HB SER 80 1.013 -3.485 -7.493 108 HB3 SER 80 1HB SER 80 0.147 -3.124 -6.008 109 HG SER 80 HG SER 80 -1.143 -2.119 -7.211 110 H ALA 81 H ALA 81 1.372 -0.650 -8.522 111 HA ALA 81 HA ALA 81 3.669 -1.342 -10.018 112 HB1 ALA 81 1HB ALA 81 1.781 0.979 -10.417 113 HB2 ALA 81 2HB ALA 81 1.567 -0.649 -11.064 114 HB3 ALA 81 3HB ALA 81 2.913 0.349 -11.616 115 H ALA 82 H ALA 82 2.801 1.459 -8.114 116 HA ALA 82 HA ALA 82 5.063 3.054 -8.585 117 HB1 ALA 82 1HB ALA 82 4.473 4.181 -6.486 118 HB2 ALA 82 2HB ALA 82 3.351 2.871 -6.106 119 HB3 ALA 82 3HB ALA 82 3.060 3.912 -7.501 120 H ILE 83 H ILE 83 4.504 0.356 -6.468 121 HA ILE 83 HA ILE 83 6.841 0.682 -4.872 122 HB ILE 83 HB ILE 83 5.209 -1.813 -5.408 123 HG12 ILE 83 2HG1 ILE 83 5.109 0.157 -3.115 124 HG13 ILE 83 1HG1 ILE 83 3.886 -0.083 -4.354 125 HG21 ILE 83 1HG2 ILE 83 7.260 -1.301 -3.249 126 HG22 ILE 83 2HG2 ILE 83 7.445 -2.392 -4.623 127 HG23 ILE 83 3HG2 ILE 83 6.248 -2.741 -3.376 128 HD11 ILE 83 1HD1 ILE 83 3.453 -2.328 -3.511 129 HD12 ILE 83 2HD1 ILE 83 3.265 -1.129 -2.226 130 HD13 ILE 83 3HD1 ILE 83 4.725 -2.119 -2.311 131 H ARG 84 H ARG 84 6.020 -1.168 -7.749 132 HA ARG 84 HA ARG 84 8.459 -2.521 -8.108 133 HB2 ARG 84 2HB ARG 84 6.571 -1.514 -10.230 134 HB3 ARG 84 1HB ARG 84 7.864 -2.667 -10.491 135 HG2 ARG 84 2HG ARG 84 6.697 -4.235 -8.977 136 HG3 ARG 84 1HG ARG 84 5.365 -3.074 -8.860 137 HD2 ARG 84 2HD ARG 84 5.125 -3.132 -11.294 138 HD3 ARG 84 1HD ARG 84 6.410 -4.326 -11.385 139 HE ARG 84 HE ARG 84 4.043 -4.918 -9.807 140 HH11 ARG 84 1HH1 ARG 84 5.935 -5.513 -12.753 141 HH12 ARG 84 2HH1 ARG 84 5.029 -6.846 -13.266 142 HH21 ARG 84 1HH2 ARG 84 2.769 -6.787 -10.504 143 HH22 ARG 84 2HH2 ARG 84 3.179 -7.598 -11.938 144 H GLU 85 H GLU 85 7.349 0.620 -9.277 145 HA GLU 85 HA GLU 85 9.786 1.061 -10.654 146 HB2 GLU 85 2HB GLU 85 7.564 2.976 -10.023 147 HB3 GLU 85 1HB GLU 85 8.921 3.337 -11.097 148 HG2 GLU 85 2HG GLU 85 6.723 1.320 -11.466 149 HG3 GLU 85 1HG GLU 85 7.102 2.710 -12.479 150 H TRP 86 H TRP 86 8.650 1.946 -7.487 151 HA TRP 86 HA TRP 86 10.828 3.613 -6.796 152 HB2 TRP 86 2HB TRP 86 8.902 3.582 -5.386 153 HB3 TRP 86 1HB TRP 86 8.998 1.840 -5.182 154 HD1 TRP 86 HD TRP 86 10.467 5.105 -3.835 155 HE1 TRP 86 1HE TRP 86 11.752 4.568 -1.655 156 HE3 TRP 86 3HE TRP 86 10.314 0.009 -4.006 157 HZ2 TRP 86 2HZ TRP 86 12.585 2.294 -0.217 158 HZ3 TRP 86 3HZ TRP 86 11.369 -1.265 -2.215 159 HH2 TRP 86 HH TRP 86 12.486 -0.146 -0.349 160 H ALA 87 H ALA 87 10.306 0.164 -6.773 161 HA ALA 87 HA ALA 87 12.680 -0.605 -5.551 162 HB1 ALA 87 1HB ALA 87 11.009 -2.047 -7.604 163 HB2 ALA 87 2HB ALA 87 10.815 -2.138 -5.856 164 HB3 ALA 87 3HB ALA 87 12.255 -2.805 -6.620 165 H ARG 88 H ARG 88 11.825 -0.040 -8.938 166 HA ARG 88 HA ARG 88 14.314 -0.642 -10.140 167 HB2 ARG 88 2HB ARG 88 12.340 1.489 -10.992 168 HB3 ARG 88 1HB ARG 88 13.590 0.768 -11.989 169 HG2 ARG 88 2HG ARG 88 11.208 -0.690 -10.869 170 HG3 ARG 88 1HG ARG 88 11.317 -0.054 -12.503 171 HD2 ARG 88 2HD ARG 88 13.335 -1.511 -12.813 172 HD3 ARG 88 1HD ARG 88 12.955 -2.243 -11.252 173 HE ARG 88 HE ARG 88 10.635 -2.342 -12.702 174 HH11 ARG 88 1HH1 ARG 88 13.878 -3.746 -12.955 175 HH12 ARG 88 2HH1 ARG 88 13.379 -5.019 -13.973 176 HH21 ARG 88 1HH2 ARG 88 9.977 -4.106 -14.110 177 HH22 ARG 88 2HH2 ARG 88 11.160 -5.210 -14.669 178 H ARG 89 H ARG 89 12.928 2.317 -8.884 179 HA ARG 89 HA ARG 89 14.839 4.240 -9.369 180 HB2 ARG 89 2HB ARG 89 12.552 4.553 -8.465 181 HB3 ARG 89 1HB ARG 89 13.094 3.910 -6.936 182 HG2 ARG 89 2HG ARG 89 14.587 5.838 -6.666 183 HG3 ARG 89 1HG ARG 89 14.011 6.487 -8.207 184 HD2 ARG 89 2HD ARG 89 12.357 5.970 -5.726 185 HD3 ARG 89 1HD ARG 89 12.765 7.540 -6.424 186 HE ARG 89 HE ARG 89 11.536 6.434 -8.460 187 HH11 ARG 89 1HH1 ARG 89 10.440 6.710 -5.063 188 HH12 ARG 89 2HH1 ARG 89 8.811 6.425 -5.450 189 HH21 ARG 89 1HH2 ARG 89 9.259 6.060 -8.921 190 HH22 ARG 89 2HH2 ARG 89 8.116 6.074 -7.662 191 H ASN 90 H ASN 90 14.588 2.049 -6.621 192 HA ASN 90 HA ASN 90 17.014 2.984 -5.404 193 HB2 ASN 90 2HB ASN 90 15.153 0.718 -4.819 194 HB3 ASN 90 1HB ASN 90 16.723 0.775 -4.035 195 HD21 ASN 90 1HD2 ASN 90 13.638 2.310 -4.372 196 HD22 ASN 90 2HD2 ASN 90 13.767 3.269 -2.945 197 H GLY 91 H GLY 91 16.096 -0.019 -7.021 198 HA2 GLY 91 2HA GLY 91 17.813 -0.644 -8.740 199 HA3 GLY 91 1HA GLY 91 18.962 -0.520 -7.412 200 H HIS 92 H HIS 92 15.699 -1.864 -7.291 201 HA HIS 92 HA HIS 92 16.884 -4.416 -6.449 202 HB2 HIS 92 2HB HIS 92 13.952 -3.665 -6.266 203 HB3 HIS 92 1HB HIS 92 14.787 -4.939 -5.402 204 HD1 HIS 92 1HD HIS 92 17.025 -3.299 -3.984 205 HD2 HIS 92 2HD HIS 92 13.077 -2.077 -4.306 206 HE1 HIS 92 1HE HIS 92 16.670 -1.509 -2.231 207 H ASN 93 H ASN 93 16.547 -6.180 -7.738 208 HA ASN 93 HA ASN 93 15.510 -5.624 -10.371 209 HB2 ASN 93 2HB ASN 93 16.828 -8.105 -9.255 210 HB3 ASN 93 1HB ASN 93 16.208 -7.992 -10.899 211 HD21 ASN 93 1HD2 ASN 93 17.354 -6.840 -12.410 212 HD22 ASN 93 2HD2 ASN 93 18.924 -6.217 -12.120 213 H VAL 94 H VAL 94 13.358 -5.259 -9.463 214 HA VAL 94 HA VAL 94 11.901 -7.680 -8.855 215 HB VAL 94 HB VAL 94 10.790 -4.857 -9.176 216 HG11 VAL 94 1HG1 VAL 94 9.492 -7.339 -8.029 217 HG12 VAL 94 2HG1 VAL 94 9.069 -6.574 -9.557 218 HG13 VAL 94 3HG1 VAL 94 8.783 -5.724 -8.039 219 HG21 VAL 94 1HG2 VAL 94 12.338 -5.051 -7.296 220 HG22 VAL 94 2HG2 VAL 94 11.427 -6.431 -6.681 221 HG23 VAL 94 3HG2 VAL 94 10.681 -4.836 -6.728 222 H SER 95 H SER 95 12.416 -8.702 -10.686 223 HA SER 95 HA SER 95 10.604 -8.200 -12.909 224 HB2 SER 95 2HB SER 95 13.547 -8.880 -13.217 225 HB3 SER 95 1HB SER 95 12.389 -8.598 -14.521 226 HG SER 95 HG SER 95 12.254 -6.575 -12.888 227 H THR 96 H THR 96 9.926 -9.864 -11.057 228 HA THR 96 HA THR 96 11.045 -12.458 -11.476 229 HB THR 96 HB THR 96 9.335 -13.057 -9.683 230 HG1 THR 96 1HG THR 96 8.449 -11.162 -8.580 231 HG21 THR 96 1HG2 THR 96 11.665 -12.601 -9.112 232 HG22 THR 96 2HG2 THR 96 10.617 -11.860 -7.894 233 HG23 THR 96 3HG2 THR 96 11.352 -10.870 -9.144 234 H ARG 97 H ARG 97 7.668 -11.842 -11.023 235 HA ARG 97 HA ARG 97 6.957 -12.409 -13.794 236 HB2 ARG 97 2HB ARG 97 5.825 -14.102 -11.523 237 HB3 ARG 97 1HB ARG 97 5.273 -14.115 -13.172 238 HG2 ARG 97 2HG ARG 97 7.976 -15.045 -12.225 239 HG3 ARG 97 1HG ARG 97 6.606 -16.076 -12.626 240 HD2 ARG 97 2HD ARG 97 6.675 -15.100 -14.943 241 HD3 ARG 97 1HD ARG 97 8.186 -14.309 -14.483 242 HE ARG 97 HE ARG 97 8.028 -17.159 -14.065 243 HH11 ARG 97 1HH1 ARG 97 9.249 -14.553 -16.137 244 HH12 ARG 97 2HH1 ARG 97 10.295 -15.560 -17.029 245 HH21 ARG 97 1HH2 ARG 97 9.487 -18.534 -15.285 246 HH22 ARG 97 2HH2 ARG 97 10.448 -17.879 -16.524 247 H GLY 98 H GLY 98 5.607 -12.280 -10.552 248 HA2 GLY 98 2HA GLY 98 4.215 -9.815 -11.142 249 HA3 GLY 98 1HA GLY 98 3.164 -11.209 -10.952 250 H ARG 99 H ARG 99 5.211 -12.301 -8.934 251 HA ARG 99 HA ARG 99 3.937 -11.172 -6.655 252 HB2 ARG 99 2HB ARG 99 4.677 -13.581 -6.835 253 HB3 ARG 99 1HB ARG 99 6.339 -13.009 -6.714 254 HG2 ARG 99 2HG ARG 99 5.733 -11.945 -4.548 255 HG3 ARG 99 1HG ARG 99 4.175 -12.762 -4.640 256 HD2 ARG 99 2HD ARG 99 5.570 -14.099 -3.269 257 HD3 ARG 99 1HD ARG 99 5.462 -14.924 -4.824 258 HE ARG 99 HE ARG 99 7.691 -13.548 -5.175 259 HH11 ARG 99 1HH1 ARG 99 6.666 -15.541 -2.459 260 HH12 ARG 99 2HH1 ARG 99 8.218 -15.808 -1.846 261 HH21 ARG 99 1HH2 ARG 99 9.842 -13.908 -4.393 262 HH22 ARG 99 2HH2 ARG 99 10.131 -14.836 -3.003 263 H ILE 100 H ILE 100 4.506 -9.339 -5.851 264 HA ILE 100 HA ILE 100 7.153 -8.252 -6.211 265 HB ILE 100 HB ILE 100 4.755 -7.162 -4.704 266 HG12 ILE 100 2HG1 ILE 100 5.822 -6.405 -7.440 267 HG13 ILE 100 1HG1 ILE 100 4.407 -7.412 -7.158 268 HG21 ILE 100 1HG2 ILE 100 6.862 -6.265 -3.873 269 HG22 ILE 100 2HG2 ILE 100 5.944 -5.014 -4.724 270 HG23 ILE 100 3HG2 ILE 100 7.328 -5.786 -5.508 271 HD11 ILE 100 1HD1 ILE 100 3.292 -5.539 -6.074 272 HD12 ILE 100 2HD1 ILE 100 3.786 -5.135 -7.718 273 HD13 ILE 100 3HD1 ILE 100 4.712 -4.526 -6.343 274 HA PRO 101 HA PRO 101 8.700 -10.044 -2.325 275 HB2 PRO 101 2HB PRO 101 10.393 -7.613 -2.495 276 HB3 PRO 101 1HB PRO 101 10.888 -9.303 -2.263 277 HG2 PRO 101 2HG PRO 101 11.296 -8.146 -4.575 278 HG3 PRO 101 1HG PRO 101 10.730 -9.826 -4.493 279 HD2 PRO 101 2HD PRO 101 9.202 -7.375 -5.198 280 HD3 PRO 101 1HD PRO 101 9.063 -9.030 -5.831 281 H ALA 102 H ALA 102 7.713 -9.854 -0.584 282 HA ALA 102 HA ALA 102 6.187 -7.722 0.337 283 HB1 ALA 102 1HB ALA 102 7.453 -9.944 1.945 284 HB2 ALA 102 2HB ALA 102 5.913 -10.038 1.091 285 HB3 ALA 102 3HB ALA 102 6.096 -8.939 2.455 286 H ASP 103 H ASP 103 9.507 -8.624 0.929 287 HA ASP 103 HA ASP 103 10.206 -6.722 2.879 288 HB2 ASP 103 2HB ASP 103 11.757 -8.484 2.342 289 HB3 ASP 103 1HB ASP 103 11.834 -7.960 0.665 290 H VAL 104 H VAL 104 10.075 -6.537 -0.638 291 HA VAL 104 HA VAL 104 11.134 -3.907 -0.799 292 HB VAL 104 HB VAL 104 9.571 -5.608 -2.769 293 HG11 VAL 104 1HG1 VAL 104 10.633 -2.818 -3.271 294 HG12 VAL 104 2HG1 VAL 104 8.929 -3.296 -3.192 295 HG13 VAL 104 3HG1 VAL 104 9.958 -3.909 -4.486 296 HG21 VAL 104 1HG2 VAL 104 12.389 -4.548 -2.769 297 HG22 VAL 104 2HG2 VAL 104 11.674 -5.586 -4.004 298 HG23 VAL 104 3HG2 VAL 104 11.894 -6.188 -2.362 299 H ILE 105 H ILE 105 7.886 -5.203 -0.583 300 HA ILE 105 HA ILE 105 6.502 -2.771 -0.918 301 HB ILE 105 HB ILE 105 5.621 -5.234 0.625 302 HG12 ILE 105 2HG1 ILE 105 5.138 -4.437 -2.250 303 HG13 ILE 105 1HG1 ILE 105 6.259 -5.672 -1.724 304 HG21 ILE 105 1HG2 ILE 105 3.989 -2.960 -0.541 305 HG22 ILE 105 2HG2 ILE 105 4.259 -3.270 1.170 306 HG23 ILE 105 3HG2 ILE 105 3.335 -4.418 0.200 307 HD11 ILE 105 1HD1 ILE 105 4.379 -6.982 -0.826 308 HD12 ILE 105 2HD1 ILE 105 4.202 -6.662 -2.547 309 HD13 ILE 105 3HD1 ILE 105 3.266 -5.732 -1.376 310 H ASP 106 H ASP 106 7.545 -4.447 2.049 311 HA ASP 106 HA ASP 106 6.525 -2.419 3.761 312 HB2 ASP 106 2HB ASP 106 8.414 -4.708 4.232 313 HB3 ASP 106 1HB ASP 106 8.202 -3.470 5.464 314 H ALA 107 H ALA 107 9.614 -2.918 2.248 315 HA ALA 107 HA ALA 107 10.965 -0.844 3.567 316 HB1 ALA 107 1HB ALA 107 12.082 -2.553 2.218 317 HB2 ALA 107 2HB ALA 107 12.525 -0.928 1.680 318 HB3 ALA 107 3HB ALA 107 11.349 -1.884 0.768 319 H TYR 108 H TYR 108 9.036 -0.920 0.596 320 HA TYR 108 HA TYR 108 9.331 1.725 -0.210 321 HB2 TYR 108 2HB TYR 108 8.329 0.091 -1.659 322 HB3 TYR 108 1HB TYR 108 7.000 -0.181 -0.541 323 HD1 TYR 108 1HD TYR 108 8.538 2.297 -2.767 324 HD2 TYR 108 2HD TYR 108 5.033 1.187 -0.681 325 HE1 TYR 108 1HE TYR 108 7.311 4.034 -3.950 326 HE2 TYR 108 2HE TYR 108 3.784 2.943 -1.867 327 HH TYR 108 HH TYR 108 5.195 4.664 -4.524 328 H HIS 109 H HIS 109 6.915 0.264 1.875 329 HA HIS 109 HA HIS 109 5.542 2.684 2.364 330 HB2 HIS 109 2HB HIS 109 5.415 -0.032 3.594 331 HB3 HIS 109 1HB HIS 109 4.526 1.288 4.325 332 HD1 HIS 109 1HD HIS 109 2.301 1.915 3.199 333 HD2 HIS 109 2HD HIS 109 4.582 -0.706 0.925 334 HE1 HIS 109 1HE HIS 109 0.820 1.156 1.293 335 H ALA 110 H ALA 110 8.246 1.191 3.993 336 HA ALA 110 HA ALA 110 8.010 2.950 6.277 337 HB1 ALA 110 1HB ALA 110 10.141 2.001 7.002 338 HB2 ALA 110 2HB ALA 110 10.313 1.177 5.452 339 HB3 ALA 110 3HB ALA 110 9.012 0.725 6.550 340 H ALA 111 H ALA 111 9.871 2.840 3.302 341 HA ALA 111 HA ALA 111 11.571 5.010 4.075 342 HB1 ALA 111 1HB ALA 111 12.371 3.187 2.626 343 HB2 ALA 111 2HB ALA 111 12.562 4.772 1.886 344 HB3 ALA 111 3HB ALA 111 11.248 3.712 1.374 345 H ASP 112 H ASP 112 11.473 7.064 3.488 346 HA ASP 112 HA ASP 112 9.162 7.931 1.923 347 HB2 ASP 112 2HB ASP 112 9.009 8.793 4.188 348 HB3 ASP 112 1HB ASP 112 10.670 9.381 4.118 Start of MODEL 19 1 H MET 65 1HT MET 65 -0.146 26.559 -28.404 2 HA MET 65 HA MET 65 -3.020 26.557 -27.881 3 HB2 MET 65 2HB MET 65 -1.043 24.254 -27.845 4 HB3 MET 65 1HB MET 65 -2.683 24.163 -27.234 5 HG2 MET 65 2HG MET 65 -2.646 23.137 -29.371 6 HG3 MET 65 1HG MET 65 -3.483 24.678 -29.540 7 HE1 MET 65 1HE MET 65 0.826 23.856 -31.025 8 HE2 MET 65 2HE MET 65 -0.216 22.632 -30.309 9 HE3 MET 65 3HE MET 65 0.428 23.936 -29.311 10 H SER 66 H SER 66 -3.400 25.676 -25.684 11 HA SER 66 HA SER 66 -1.307 26.208 -23.733 12 HB2 SER 66 2HB SER 66 -4.092 27.421 -23.655 13 HB3 SER 66 1HB SER 66 -2.821 27.659 -22.456 14 HG SER 66 HG SER 66 -1.694 28.300 -24.658 15 H GLY 67 H GLY 67 -2.410 23.843 -24.811 16 HA2 GLY 67 2HA GLY 67 -4.544 22.936 -23.068 17 HA3 GLY 67 1HA GLY 67 -3.882 22.078 -24.446 18 H SER 68 H SER 68 -2.651 23.358 -21.377 19 HA SER 68 HA SER 68 -1.108 20.973 -21.026 20 HB2 SER 68 2HB SER 68 -0.481 22.250 -18.861 21 HB3 SER 68 1HB SER 68 0.047 22.931 -20.403 22 HG SER 68 HG SER 68 -0.951 24.421 -18.904 23 H GLY 69 H GLY 69 -2.452 19.318 -20.593 24 HA2 GLY 69 2HA GLY 69 -4.719 19.749 -18.820 25 HA3 GLY 69 1HA GLY 69 -4.434 18.343 -19.826 26 H ARG 70 H ARG 70 -2.312 19.832 -17.390 27 HA ARG 70 HA ARG 70 -2.153 17.206 -16.193 28 HB2 ARG 70 2HB ARG 70 -0.560 19.707 -15.614 29 HB3 ARG 70 1HB ARG 70 -0.420 18.235 -14.672 30 HG2 ARG 70 2HG ARG 70 0.206 17.042 -16.783 31 HG3 ARG 70 1HG ARG 70 0.261 18.622 -17.570 32 HD2 ARG 70 2HD ARG 70 1.886 17.823 -15.153 33 HD3 ARG 70 1HD ARG 70 2.475 17.822 -16.806 34 HE ARG 70 HE ARG 70 2.071 20.236 -16.816 35 HH11 ARG 70 1HH1 ARG 70 2.316 18.692 -13.624 36 HH12 ARG 70 2HH1 ARG 70 3.043 20.020 -12.869 37 HH21 ARG 70 1HH2 ARG 70 3.084 22.090 -15.769 38 HH22 ARG 70 2HH2 ARG 70 3.473 22.017 -14.116 39 H GLY 71 H GLY 71 -3.959 16.834 -15.192 40 HA2 GLY 71 2HA GLY 71 -5.003 18.765 -13.307 41 HA3 GLY 71 1HA GLY 71 -5.741 17.221 -13.753 42 H ARG 72 H ARG 72 -3.715 18.859 -11.601 43 HA ARG 72 HA ARG 72 -2.377 16.567 -10.658 44 HB2 ARG 72 2HB ARG 72 -2.561 19.336 -9.548 45 HB3 ARG 72 1HB ARG 72 -1.756 18.037 -8.680 46 HG2 ARG 72 2HG ARG 72 -0.296 17.719 -10.684 47 HG3 ARG 72 1HG ARG 72 -1.016 19.181 -11.364 48 HD2 ARG 72 2HD ARG 72 1.136 19.599 -10.204 49 HD3 ARG 72 1HD ARG 72 -0.209 20.496 -9.498 50 HE ARG 72 HE ARG 72 -0.281 18.571 -7.840 51 HH11 ARG 72 1HH1 ARG 72 2.797 19.588 -9.314 52 HH12 ARG 72 2HH1 ARG 72 3.715 19.165 -7.946 53 HH21 ARG 72 1HH2 ARG 72 0.982 17.973 -6.042 54 HH22 ARG 72 2HH2 ARG 72 2.675 18.179 -6.064 55 H GLY 73 H GLY 73 -3.645 15.075 -10.086 56 HA2 GLY 73 2HA GLY 73 -4.936 15.368 -7.495 57 HA3 GLY 73 1HA GLY 73 -5.830 14.638 -8.833 58 H ALA 74 H ALA 74 -3.955 13.909 -6.250 59 HA ALA 74 HA ALA 74 -2.776 11.591 -7.562 60 HB1 ALA 74 1HB ALA 74 -2.052 12.892 -4.954 61 HB2 ALA 74 2HB ALA 74 -1.165 13.046 -6.484 62 HB3 ALA 74 3HB ALA 74 -1.283 11.473 -5.677 63 H ILE 75 H ILE 75 -3.799 9.831 -7.242 64 HA ILE 75 HA ILE 75 -5.810 9.765 -5.201 65 HB ILE 75 HB ILE 75 -5.224 7.832 -7.433 66 HG12 ILE 75 2HG1 ILE 75 -7.442 9.867 -7.272 67 HG13 ILE 75 1HG1 ILE 75 -5.889 10.212 -8.019 68 HG21 ILE 75 1HG2 ILE 75 -7.505 6.969 -6.996 69 HG22 ILE 75 2HG2 ILE 75 -7.643 8.059 -5.617 70 HG23 ILE 75 3HG2 ILE 75 -6.450 6.763 -5.598 71 HD11 ILE 75 1HD1 ILE 75 -7.568 9.631 -9.647 72 HD12 ILE 75 2HD1 ILE 75 -7.795 8.051 -8.861 73 HD13 ILE 75 3HD1 ILE 75 -6.238 8.473 -9.602 74 H ASP 76 H ASP 76 -5.461 8.688 -3.410 75 HA ASP 76 HA ASP 76 -3.058 7.062 -3.128 76 HB2 ASP 76 2HB ASP 76 -3.450 8.795 -1.431 77 HB3 ASP 76 1HB ASP 76 -4.997 8.055 -1.032 78 H ARG 77 H ARG 77 -3.169 4.950 -3.291 79 HA ARG 77 HA ARG 77 -5.279 3.372 -2.280 80 HB2 ARG 77 2HB ARG 77 -6.056 2.473 -4.438 81 HB3 ARG 77 1HB ARG 77 -6.400 4.192 -4.320 82 HG2 ARG 77 2HG ARG 77 -4.434 4.664 -5.700 83 HG3 ARG 77 1HG ARG 77 -4.143 2.930 -5.845 84 HD2 ARG 77 2HD ARG 77 -6.328 2.655 -6.912 85 HD3 ARG 77 1HD ARG 77 -6.616 4.389 -6.759 86 HE ARG 77 HE ARG 77 -4.300 3.425 -8.252 87 HH11 ARG 77 1HH1 ARG 77 -7.500 4.965 -8.333 88 HH12 ARG 77 2HH1 ARG 77 -7.260 5.648 -9.883 89 HH21 ARG 77 1HH2 ARG 77 -4.029 4.405 -10.385 90 HH22 ARG 77 2HH2 ARG 77 -5.303 5.327 -11.033 91 H GLU 78 H GLU 78 -4.832 1.075 -3.568 92 HA GLU 78 HA GLU 78 -2.145 0.424 -2.914 93 HB2 GLU 78 2HB GLU 78 -3.956 -1.185 -2.603 94 HB3 GLU 78 1HB GLU 78 -4.334 -1.097 -4.311 95 HG2 GLU 78 2HG GLU 78 -2.080 -2.043 -4.784 96 HG3 GLU 78 1HG GLU 78 -1.889 -2.277 -3.051 97 H GLN 79 H GLN 79 -0.761 1.587 -4.281 98 HA GLN 79 HA GLN 79 -1.057 1.009 -7.121 99 HB2 GLN 79 2HB GLN 79 0.891 2.882 -5.806 100 HB3 GLN 79 1HB GLN 79 0.618 2.702 -7.533 101 HG2 GLN 79 2HG GLN 79 -1.719 3.545 -7.172 102 HG3 GLN 79 1HG GLN 79 -1.272 3.884 -5.500 103 HE21 GLN 79 1HE2 GLN 79 -2.119 5.744 -7.545 104 HE22 GLN 79 2HE2 GLN 79 -0.843 6.889 -7.708 105 H SER 80 H SER 80 -0.481 -1.136 -6.878 106 HA SER 80 HA SER 80 1.921 -2.035 -5.722 107 HB2 SER 80 2HB SER 80 0.336 -3.325 -7.949 108 HB3 SER 80 1HB SER 80 1.434 -4.132 -6.826 109 HG SER 80 HG SER 80 -0.007 -3.906 -5.212 110 H ALA 81 H ALA 81 1.067 -0.843 -8.873 111 HA ALA 81 HA ALA 81 3.372 -1.572 -10.302 112 HB1 ALA 81 1HB ALA 81 2.715 0.162 -11.893 113 HB2 ALA 81 2HB ALA 81 1.596 0.834 -10.713 114 HB3 ALA 81 3HB ALA 81 1.310 -0.775 -11.381 115 H ALA 82 H ALA 82 2.535 1.363 -8.498 116 HA ALA 82 HA ALA 82 4.865 2.812 -9.076 117 HB1 ALA 82 1HB ALA 82 4.257 4.244 -7.198 118 HB2 ALA 82 2HB ALA 82 3.120 3.021 -6.626 119 HB3 ALA 82 3HB ALA 82 2.835 3.844 -8.162 120 H ILE 83 H ILE 83 4.109 0.560 -6.499 121 HA ILE 83 HA ILE 83 6.453 0.900 -4.977 122 HB ILE 83 HB ILE 83 4.716 -1.578 -5.273 123 HG12 ILE 83 2HG1 ILE 83 4.680 0.595 -3.170 124 HG13 ILE 83 1HG1 ILE 83 3.560 0.487 -4.521 125 HG21 ILE 83 1HG2 ILE 83 6.718 -0.857 -3.121 126 HG22 ILE 83 2HG2 ILE 83 6.909 -2.137 -4.320 127 HG23 ILE 83 3HG2 ILE 83 5.647 -2.258 -3.095 128 HD11 ILE 83 1HD1 ILE 83 2.721 -1.628 -3.657 129 HD12 ILE 83 2HD1 ILE 83 2.563 -0.319 -2.492 130 HD13 ILE 83 3HD1 ILE 83 3.843 -1.523 -2.295 131 H ARG 84 H ARG 84 5.696 -1.281 -7.650 132 HA ARG 84 HA ARG 84 8.152 -2.685 -7.753 133 HB2 ARG 84 2HB ARG 84 6.188 -2.031 -9.945 134 HB3 ARG 84 1HB ARG 84 7.566 -3.106 -10.135 135 HG2 ARG 84 2HG ARG 84 6.622 -4.641 -8.530 136 HG3 ARG 84 1HG ARG 84 5.282 -3.533 -8.233 137 HD2 ARG 84 2HD ARG 84 4.699 -5.380 -9.778 138 HD3 ARG 84 1HD ARG 84 4.487 -3.780 -10.485 139 HE ARG 84 HE ARG 84 6.927 -4.384 -11.346 140 HH11 ARG 84 1HH1 ARG 84 3.952 -6.318 -11.379 141 HH12 ARG 84 2HH1 ARG 84 4.378 -7.225 -12.760 142 HH21 ARG 84 1HH2 ARG 84 7.499 -5.594 -13.273 143 HH22 ARG 84 2HH2 ARG 84 6.486 -6.821 -13.843 144 H GLU 85 H GLU 85 7.011 0.182 -9.402 145 HA GLU 85 HA GLU 85 9.286 0.629 -11.006 146 HB2 GLU 85 2HB GLU 85 7.272 2.640 -10.001 147 HB3 GLU 85 1HB GLU 85 8.387 2.890 -11.335 148 HG2 GLU 85 2HG GLU 85 6.136 0.889 -11.233 149 HG3 GLU 85 1HG GLU 85 6.151 2.386 -12.151 150 H TRP 86 H TRP 86 8.336 1.884 -7.854 151 HA TRP 86 HA TRP 86 10.478 3.562 -7.269 152 HB2 TRP 86 2HB TRP 86 8.528 3.516 -5.859 153 HB3 TRP 86 1HB TRP 86 8.717 1.803 -5.555 154 HD1 TRP 86 HD TRP 86 10.076 5.208 -4.449 155 HE1 TRP 86 1HE TRP 86 11.314 4.914 -2.219 156 HE3 TRP 86 3HE TRP 86 10.017 0.115 -4.169 157 HZ2 TRP 86 2HZ TRP 86 12.170 2.764 -0.572 158 HZ3 TRP 86 3HZ TRP 86 11.084 -0.967 -2.249 159 HH2 TRP 86 HH TRP 86 12.123 0.336 -0.486 160 H ALA 87 H ALA 87 10.021 0.134 -6.668 161 HA ALA 87 HA ALA 87 12.466 -0.424 -5.452 162 HB1 ALA 87 1HB ALA 87 10.647 -2.126 -7.119 163 HB2 ALA 87 2HB ALA 87 10.586 -1.942 -5.369 164 HB3 ALA 87 3HB ALA 87 11.954 -2.767 -6.132 165 H ARG 88 H ARG 88 11.517 -0.727 -8.812 166 HA ARG 88 HA ARG 88 14.110 -1.504 -9.663 167 HB2 ARG 88 2HB ARG 88 11.743 -0.488 -11.247 168 HB3 ARG 88 1HB ARG 88 13.203 -1.154 -11.960 169 HG2 ARG 88 2HG ARG 88 11.723 -2.808 -9.970 170 HG3 ARG 88 1HG ARG 88 11.041 -2.636 -11.577 171 HD2 ARG 88 2HD ARG 88 12.398 -4.672 -11.365 172 HD3 ARG 88 1HD ARG 88 13.052 -3.583 -12.569 173 HE ARG 88 HE ARG 88 14.588 -2.957 -10.508 174 HH11 ARG 88 1HH1 ARG 88 13.505 -6.227 -11.402 175 HH12 ARG 88 2HH1 ARG 88 15.016 -6.943 -11.092 176 HH21 ARG 88 1HH2 ARG 88 16.645 -3.988 -10.051 177 HH22 ARG 88 2HH2 ARG 88 16.828 -5.664 -10.285 178 H ARG 89 H ARG 89 12.772 1.577 -8.886 179 HA ARG 89 HA ARG 89 14.535 3.118 -10.564 180 HB2 ARG 89 2HB ARG 89 12.388 4.017 -9.689 181 HB3 ARG 89 1HB ARG 89 13.016 3.878 -8.055 182 HG2 ARG 89 2HG ARG 89 14.795 5.497 -8.663 183 HG3 ARG 89 1HG ARG 89 14.003 5.712 -10.229 184 HD2 ARG 89 2HD ARG 89 11.946 6.392 -9.046 185 HD3 ARG 89 1HD ARG 89 12.811 6.271 -7.515 186 HE ARG 89 HE ARG 89 13.656 8.077 -9.668 187 HH11 ARG 89 1HH1 ARG 89 12.998 7.529 -6.213 188 HH12 ARG 89 2HH1 ARG 89 13.282 9.128 -5.773 189 HH21 ARG 89 1HH2 ARG 89 14.022 10.283 -9.046 190 HH22 ARG 89 2HH2 ARG 89 13.909 10.749 -7.415 191 H ASN 90 H ASN 90 14.366 2.102 -7.244 192 HA ASN 90 HA ASN 90 16.753 3.378 -6.339 193 HB2 ASN 90 2HB ASN 90 14.898 1.324 -5.231 194 HB3 ASN 90 1HB ASN 90 16.288 1.844 -4.314 195 HD21 ASN 90 1HD2 ASN 90 13.403 2.094 -3.959 196 HD22 ASN 90 2HD2 ASN 90 13.094 3.770 -3.728 197 H GLY 91 H GLY 91 15.867 0.046 -7.029 198 HA2 GLY 91 2HA GLY 91 17.682 -1.233 -8.195 199 HA3 GLY 91 1HA GLY 91 18.740 -0.632 -6.926 200 H HIS 92 H HIS 92 15.422 -1.658 -6.443 201 HA HIS 92 HA HIS 92 16.395 -3.824 -4.760 202 HB2 HIS 92 2HB HIS 92 13.569 -2.700 -5.000 203 HB3 HIS 92 1HB HIS 92 14.077 -3.940 -3.866 204 HD1 HIS 92 1HD HIS 92 15.937 -2.957 -1.979 205 HD2 HIS 92 2HD HIS 92 13.517 -0.225 -3.968 206 HE1 HIS 92 1HE HIS 92 16.099 -0.758 -0.733 207 H ASN 93 H ASN 93 15.751 -5.906 -5.220 208 HA ASN 93 HA ASN 93 15.334 -6.286 -8.030 209 HB2 ASN 93 2HB ASN 93 16.129 -8.179 -5.847 210 HB3 ASN 93 1HB ASN 93 15.754 -8.733 -7.471 211 HD21 ASN 93 1HD2 ASN 93 17.951 -6.889 -5.519 212 HD22 ASN 93 2HD2 ASN 93 19.228 -6.824 -6.669 213 H VAL 94 H VAL 94 13.319 -5.860 -8.480 214 HA VAL 94 HA VAL 94 11.383 -7.867 -7.580 215 HB VAL 94 HB VAL 94 10.823 -5.104 -8.732 216 HG11 VAL 94 1HG1 VAL 94 8.469 -5.577 -8.224 217 HG12 VAL 94 2HG1 VAL 94 8.902 -7.209 -7.711 218 HG13 VAL 94 3HG1 VAL 94 9.116 -6.726 -9.394 219 HG21 VAL 94 1HG2 VAL 94 9.909 -4.577 -6.519 220 HG22 VAL 94 2HG2 VAL 94 11.624 -4.985 -6.439 221 HG23 VAL 94 3HG2 VAL 94 10.413 -6.164 -5.939 222 H SER 95 H SER 95 11.151 -9.378 -9.041 223 HA SER 95 HA SER 95 12.256 -9.317 -11.575 224 HB2 SER 95 2HB SER 95 10.050 -11.074 -10.502 225 HB3 SER 95 1HB SER 95 11.107 -11.434 -11.875 226 HG SER 95 HG SER 95 12.791 -10.900 -10.130 227 H THR 96 H THR 96 11.363 -9.148 -13.655 228 HA THR 96 HA THR 96 9.484 -7.159 -14.084 229 HB THR 96 HB THR 96 9.684 -8.079 -16.472 230 HG1 THR 96 1HG THR 96 10.698 -9.959 -16.671 231 HG21 THR 96 1HG2 THR 96 11.124 -6.266 -15.614 232 HG22 THR 96 2HG2 THR 96 12.039 -7.349 -16.667 233 HG23 THR 96 3HG2 THR 96 12.211 -7.467 -14.919 234 H ARG 97 H ARG 97 9.317 -10.626 -14.004 235 HA ARG 97 HA ARG 97 6.401 -10.527 -13.858 236 HB2 ARG 97 2HB ARG 97 8.032 -12.645 -15.291 237 HB3 ARG 97 1HB ARG 97 6.285 -12.627 -15.115 238 HG2 ARG 97 2HG ARG 97 6.154 -10.639 -16.500 239 HG3 ARG 97 1HG ARG 97 7.911 -10.621 -16.652 240 HD2 ARG 97 2HD ARG 97 7.765 -12.893 -17.658 241 HD3 ARG 97 1HD ARG 97 6.009 -12.721 -17.653 242 HE ARG 97 HE ARG 97 6.751 -10.514 -18.928 243 HH11 ARG 97 1HH1 ARG 97 7.714 -13.889 -19.405 244 HH12 ARG 97 2HH1 ARG 97 8.106 -13.668 -21.037 245 HH21 ARG 97 1HH2 ARG 97 7.280 -10.252 -21.179 246 HH22 ARG 97 2HH2 ARG 97 7.856 -11.616 -22.066 247 H GLY 98 H GLY 98 5.767 -11.560 -12.013 248 HA2 GLY 98 2HA GLY 98 6.551 -13.822 -10.872 249 HA3 GLY 98 1HA GLY 98 7.847 -12.730 -10.386 250 H ARG 99 H ARG 99 7.437 -12.458 -8.262 251 HA ARG 99 HA ARG 99 4.735 -11.544 -7.546 252 HB2 ARG 99 2HB ARG 99 5.358 -13.763 -6.625 253 HB3 ARG 99 1HB ARG 99 6.735 -13.016 -5.829 254 HG2 ARG 99 2HG ARG 99 5.089 -11.534 -4.634 255 HG3 ARG 99 1HG ARG 99 3.819 -12.585 -5.269 256 HD2 ARG 99 2HD ARG 99 4.998 -14.508 -4.218 257 HD3 ARG 99 1HD ARG 99 6.114 -13.364 -3.488 258 HE ARG 99 HE ARG 99 3.233 -13.276 -3.024 259 HH11 ARG 99 1HH1 ARG 99 6.546 -13.159 -1.747 260 HH12 ARG 99 2HH1 ARG 99 6.067 -12.996 -0.141 261 HH21 ARG 99 1HH2 ARG 99 2.580 -12.999 -0.782 262 HH22 ARG 99 2HH2 ARG 99 3.767 -12.869 0.426 263 H ILE 100 H ILE 100 4.615 -9.680 -6.401 264 HA ILE 100 HA ILE 100 6.908 -7.994 -6.189 265 HB ILE 100 HB ILE 100 4.132 -7.660 -4.993 266 HG12 ILE 100 2HG1 ILE 100 5.259 -6.543 -7.577 267 HG13 ILE 100 1HG1 ILE 100 4.125 -7.882 -7.472 268 HG21 ILE 100 1HG2 ILE 100 5.799 -6.252 -3.899 269 HG22 ILE 100 2HG2 ILE 100 4.703 -5.263 -4.867 270 HG23 ILE 100 3HG2 ILE 100 6.325 -5.625 -5.461 271 HD11 ILE 100 1HD1 ILE 100 3.610 -5.055 -6.588 272 HD12 ILE 100 2HD1 ILE 100 2.464 -6.391 -6.490 273 HD13 ILE 100 3HD1 ILE 100 3.007 -5.810 -8.063 274 HA PRO 101 HA PRO 101 8.058 -9.828 -2.216 275 HB2 PRO 101 2HB PRO 101 9.886 -7.524 -2.098 276 HB3 PRO 101 1HB PRO 101 10.273 -9.256 -2.051 277 HG2 PRO 101 2HG PRO 101 10.877 -7.818 -4.180 278 HG3 PRO 101 1HG PRO 101 10.285 -9.485 -4.323 279 HD2 PRO 101 2HD PRO 101 8.797 -6.938 -4.761 280 HD3 PRO 101 1HD PRO 101 8.765 -8.461 -5.684 281 H ALA 102 H ALA 102 6.992 -9.555 -0.490 282 HA ALA 102 HA ALA 102 5.492 -7.256 0.174 283 HB1 ALA 102 1HB ALA 102 5.074 -8.396 2.311 284 HB2 ALA 102 2HB ALA 102 6.331 -9.571 1.926 285 HB3 ALA 102 3HB ALA 102 4.864 -9.498 0.951 286 H ASP 103 H ASP 103 8.615 -8.464 1.014 287 HA ASP 103 HA ASP 103 9.286 -6.663 3.069 288 HB2 ASP 103 2HB ASP 103 10.551 -8.728 2.533 289 HB3 ASP 103 1HB ASP 103 11.114 -7.954 1.056 290 H VAL 104 H VAL 104 9.483 -6.472 -0.434 291 HA VAL 104 HA VAL 104 10.815 -3.959 -0.502 292 HB VAL 104 HB VAL 104 9.265 -5.524 -2.582 293 HG11 VAL 104 1HG1 VAL 104 10.429 -2.751 -2.972 294 HG12 VAL 104 2HG1 VAL 104 8.713 -3.181 -2.999 295 HG13 VAL 104 3HG1 VAL 104 9.792 -3.793 -4.255 296 HG21 VAL 104 1HG2 VAL 104 12.108 -4.543 -2.420 297 HG22 VAL 104 2HG2 VAL 104 11.437 -5.519 -3.724 298 HG23 VAL 104 3HG2 VAL 104 11.557 -6.185 -2.096 299 H ILE 105 H ILE 105 7.470 -4.957 -0.447 300 HA ILE 105 HA ILE 105 6.343 -2.375 -0.687 301 HB ILE 105 HB ILE 105 5.233 -4.792 0.790 302 HG12 ILE 105 2HG1 ILE 105 4.743 -3.806 -2.025 303 HG13 ILE 105 1HG1 ILE 105 5.756 -5.167 -1.607 304 HG21 ILE 105 1HG2 ILE 105 3.028 -3.719 0.490 305 HG22 ILE 105 2HG2 ILE 105 3.816 -2.296 -0.187 306 HG23 ILE 105 3HG2 ILE 105 4.096 -2.739 1.492 307 HD11 ILE 105 1HD1 ILE 105 3.777 -6.331 -0.701 308 HD12 ILE 105 2HD1 ILE 105 3.580 -5.913 -2.400 309 HD13 ILE 105 3HD1 ILE 105 2.776 -4.955 -1.158 310 H ASP 106 H ASP 106 7.343 -4.232 2.156 311 HA ASP 106 HA ASP 106 6.720 -2.282 4.128 312 HB2 ASP 106 2HB ASP 106 8.772 -4.508 4.090 313 HB3 ASP 106 1HB ASP 106 8.624 -3.438 5.462 314 H ALA 107 H ALA 107 9.594 -2.878 2.228 315 HA ALA 107 HA ALA 107 11.213 -0.873 3.261 316 HB1 ALA 107 1HB ALA 107 12.472 -1.067 1.170 317 HB2 ALA 107 2HB ALA 107 11.102 -1.919 0.443 318 HB3 ALA 107 3HB ALA 107 11.987 -2.661 1.772 319 H TYR 108 H TYR 108 8.954 -0.792 0.541 320 HA TYR 108 HA TYR 108 9.264 1.862 -0.262 321 HB2 TYR 108 2HB TYR 108 8.031 0.218 -1.568 322 HB3 TYR 108 1HB TYR 108 6.813 0.075 -0.322 323 HD1 TYR 108 1HD TYR 108 5.026 1.751 -0.157 324 HD2 TYR 108 2HD TYR 108 8.126 2.164 -3.029 325 HE1 TYR 108 1HE TYR 108 3.712 3.479 -1.326 326 HE2 TYR 108 2HE TYR 108 6.837 3.884 -4.198 327 HH TYR 108 HH TYR 108 4.057 5.319 -2.833 328 H HIS 109 H HIS 109 7.264 0.468 2.236 329 HA HIS 109 HA HIS 109 6.071 2.991 2.860 330 HB2 HIS 109 2HB HIS 109 5.768 0.237 3.963 331 HB3 HIS 109 1HB HIS 109 5.064 1.575 4.834 332 HD1 HIS 109 1HD HIS 109 2.946 2.706 3.705 333 HD2 HIS 109 2HD HIS 109 4.598 -0.405 1.510 334 HE1 HIS 109 1HE HIS 109 1.271 2.149 1.892 335 H ALA 110 H ALA 110 8.889 1.379 3.937 336 HA ALA 110 HA ALA 110 9.044 3.078 6.322 337 HB1 ALA 110 1HB ALA 110 9.632 0.751 6.593 338 HB2 ALA 110 2HB ALA 110 11.034 1.774 6.914 339 HB3 ALA 110 3HB ALA 110 10.901 0.901 5.384 340 H ALA 111 H ALA 111 10.578 2.707 3.213 341 HA ALA 111 HA ALA 111 12.853 4.287 3.801 342 HB1 ALA 111 1HB ALA 111 11.739 3.446 1.170 343 HB2 ALA 111 2HB ALA 111 12.884 2.513 2.142 344 HB3 ALA 111 3HB ALA 111 13.366 4.067 1.447 345 H ASP 112 H ASP 112 13.461 6.139 2.719 346 HA ASP 112 HA ASP 112 11.370 8.140 2.551 347 HB2 ASP 112 2HB ASP 112 13.424 8.530 3.890 348 HB3 ASP 112 1HB ASP 112 14.384 8.348 2.432 Start of MODEL 20 1 H MET 65 1HT MET 65 2.931 -6.413 -32.233 2 HA MET 65 HA MET 65 0.592 -4.639 -32.195 3 HB2 MET 65 2HB MET 65 0.835 -7.624 -32.574 4 HB3 MET 65 1HB MET 65 -0.655 -6.837 -32.107 5 HG2 MET 65 2HG MET 65 -0.643 -5.589 -34.202 6 HG3 MET 65 1HG MET 65 0.850 -6.403 -34.674 7 HE1 MET 65 1HE MET 65 -1.832 -8.063 -36.992 8 HE2 MET 65 2HE MET 65 -0.284 -7.224 -36.932 9 HE3 MET 65 3HE MET 65 -1.764 -6.379 -36.478 10 H SER 66 H SER 66 -0.941 -5.788 -30.518 11 HA SER 66 HA SER 66 -1.469 -6.290 -28.448 12 HB2 SER 66 2HB SER 66 -0.009 -8.268 -28.715 13 HB3 SER 66 1HB SER 66 1.358 -7.334 -28.128 14 HG SER 66 HG SER 66 -0.660 -8.551 -26.763 15 H GLY 67 H GLY 67 -1.946 -4.457 -27.572 16 HA2 GLY 67 2HA GLY 67 0.199 -2.884 -26.348 17 HA3 GLY 67 1HA GLY 67 -1.402 -2.272 -26.789 18 H SER 68 H SER 68 -1.293 -1.626 -24.428 19 HA SER 68 HA SER 68 -1.879 -3.848 -22.695 20 HB2 SER 68 2HB SER 68 -1.774 -0.880 -22.090 21 HB3 SER 68 1HB SER 68 -1.955 -2.171 -20.902 22 HG SER 68 HG SER 68 0.251 -1.682 -22.608 23 H GLY 69 H GLY 69 -3.768 -4.582 -23.647 24 HA2 GLY 69 2HA GLY 69 -6.099 -2.958 -23.904 25 HA3 GLY 69 1HA GLY 69 -6.047 -4.726 -23.913 26 H ARG 70 H ARG 70 -6.718 -1.971 -22.081 27 HA ARG 70 HA ARG 70 -6.851 -3.608 -19.660 28 HB2 ARG 70 2HB ARG 70 -4.868 -2.104 -19.731 29 HB3 ARG 70 1HB ARG 70 -5.971 -0.742 -19.837 30 HG2 ARG 70 2HG ARG 70 -6.848 -1.260 -17.630 31 HG3 ARG 70 1HG ARG 70 -5.789 -2.672 -17.530 32 HD2 ARG 70 2HD ARG 70 -4.914 0.197 -17.803 33 HD3 ARG 70 1HD ARG 70 -4.796 -0.792 -16.340 34 HE ARG 70 HE ARG 70 -3.438 -2.230 -18.180 35 HH11 ARG 70 1HH1 ARG 70 -3.141 1.137 -17.110 36 HH12 ARG 70 2HH1 ARG 70 -1.486 1.251 -17.502 37 HH21 ARG 70 1HH2 ARG 70 -1.190 -2.069 -18.719 38 HH22 ARG 70 2HH2 ARG 70 -0.341 -0.613 -18.431 39 H GLY 71 H GLY 71 -8.628 -3.439 -18.571 40 HA2 GLY 71 2HA GLY 71 -10.516 -1.289 -19.150 41 HA3 GLY 71 1HA GLY 71 -11.031 -2.979 -19.050 42 H ARG 72 H ARG 72 -9.176 -0.592 -17.300 43 HA ARG 72 HA ARG 72 -8.978 -0.025 -15.202 44 HB2 ARG 72 2HB ARG 72 -11.512 -1.600 -14.767 45 HB3 ARG 72 1HB ARG 72 -10.720 -0.675 -13.500 46 HG2 ARG 72 2HG ARG 72 -11.030 1.372 -14.801 47 HG3 ARG 72 1HG ARG 72 -11.816 0.431 -16.072 48 HD2 ARG 72 2HD ARG 72 -13.597 -0.177 -14.630 49 HD3 ARG 72 1HD ARG 72 -12.783 0.518 -13.228 50 HE ARG 72 HE ARG 72 -13.056 2.544 -15.053 51 HH11 ARG 72 1HH1 ARG 72 -15.250 0.404 -13.310 52 HH12 ARG 72 2HH1 ARG 72 -16.488 1.558 -13.147 53 HH21 ARG 72 1HH2 ARG 72 -14.726 4.137 -14.824 54 HH22 ARG 72 2HH2 ARG 72 -16.183 3.745 -14.035 55 H GLY 73 H GLY 73 -7.189 -0.733 -14.449 56 HA2 GLY 73 2HA GLY 73 -7.050 -3.108 -12.902 57 HA3 GLY 73 1HA GLY 73 -6.146 -3.207 -14.418 58 H ALA 74 H ALA 74 -5.223 -3.055 -11.596 59 HA ALA 74 HA ALA 74 -3.574 -2.221 -10.407 60 HB1 ALA 74 1HB ALA 74 -2.852 -0.540 -12.811 61 HB2 ALA 74 2HB ALA 74 -2.226 -2.161 -12.454 62 HB3 ALA 74 3HB ALA 74 -1.851 -0.805 -11.373 63 H ILE 75 H ILE 75 -5.392 -1.562 -9.452 64 HA ILE 75 HA ILE 75 -6.601 0.941 -9.701 65 HB ILE 75 HB ILE 75 -6.628 -1.001 -7.400 66 HG12 ILE 75 2HG1 ILE 75 -8.701 -0.746 -9.547 67 HG13 ILE 75 1HG1 ILE 75 -7.272 -1.738 -9.803 68 HG21 ILE 75 1HG2 ILE 75 -7.503 1.206 -6.755 69 HG22 ILE 75 2HG2 ILE 75 -8.812 0.027 -6.860 70 HG23 ILE 75 3HG2 ILE 75 -8.566 1.194 -8.160 71 HD11 ILE 75 1HD1 ILE 75 -7.829 -3.059 -7.897 72 HD12 ILE 75 2HD1 ILE 75 -9.150 -3.048 -9.065 73 HD13 ILE 75 3HD1 ILE 75 -9.257 -2.069 -7.579 74 H ASP 76 H ASP 76 -6.074 2.813 -8.786 75 HA ASP 76 HA ASP 76 -3.616 3.005 -7.312 76 HB2 ASP 76 2HB ASP 76 -5.511 5.221 -8.114 77 HB3 ASP 76 1HB ASP 76 -3.898 5.437 -7.445 78 H ARG 77 H ARG 77 -4.302 1.826 -5.638 79 HA ARG 77 HA ARG 77 -4.888 3.264 -3.294 80 HB2 ARG 77 2HB ARG 77 -7.255 2.941 -4.124 81 HB3 ARG 77 1HB ARG 77 -6.962 1.208 -4.182 82 HG2 ARG 77 2HG ARG 77 -8.256 1.840 -2.208 83 HG3 ARG 77 1HG ARG 77 -6.695 1.164 -1.753 84 HD2 ARG 77 2HD ARG 77 -5.810 3.413 -1.395 85 HD3 ARG 77 1HD ARG 77 -7.346 4.110 -1.905 86 HE ARG 77 HE ARG 77 -8.341 3.012 0.043 87 HH11 ARG 77 1HH1 ARG 77 -4.814 3.618 0.101 88 HH12 ARG 77 2HH1 ARG 77 -4.728 3.663 1.782 89 HH21 ARG 77 1HH2 ARG 77 -8.172 3.119 2.384 90 HH22 ARG 77 2HH2 ARG 77 -6.672 3.370 3.127 91 H GLU 78 H GLU 78 -5.091 0.139 -4.915 92 HA GLU 78 HA GLU 78 -3.236 -0.962 -2.961 93 HB2 GLU 78 2HB GLU 78 -5.294 -2.297 -3.370 94 HB3 GLU 78 1HB GLU 78 -4.903 -2.364 -5.083 95 HG2 GLU 78 2HG GLU 78 -2.833 -3.611 -4.503 96 HG3 GLU 78 1HG GLU 78 -3.357 -3.618 -2.821 97 H GLN 79 H GLN 79 -1.578 0.330 -3.836 98 HA GLN 79 HA GLN 79 -0.860 -0.083 -6.559 99 HB2 GLN 79 2HB GLN 79 0.063 1.714 -4.429 100 HB3 GLN 79 1HB GLN 79 1.292 1.209 -5.580 101 HG2 GLN 79 2HG GLN 79 -1.331 2.523 -6.260 102 HG3 GLN 79 1HG GLN 79 0.254 3.293 -6.248 103 HE21 GLN 79 1HE2 GLN 79 -1.568 3.034 -8.515 104 HE22 GLN 79 2HE2 GLN 79 -0.731 2.136 -9.708 105 H SER 80 H SER 80 0.535 -1.276 -7.344 106 HA SER 80 HA SER 80 2.416 -2.690 -5.664 107 HB2 SER 80 2HB SER 80 1.901 -4.773 -7.013 108 HB3 SER 80 1HB SER 80 0.627 -4.270 -5.901 109 HG SER 80 HG SER 80 0.080 -4.877 -8.137 110 H ALA 81 H ALA 81 1.329 -1.723 -8.888 111 HA ALA 81 HA ALA 81 3.621 -2.277 -10.340 112 HB1 ALA 81 1HB ALA 81 1.694 0.021 -10.708 113 HB2 ALA 81 2HB ALA 81 1.494 -1.604 -11.364 114 HB3 ALA 81 3HB ALA 81 2.824 -0.585 -11.920 115 H ALA 82 H ALA 82 2.705 0.695 -8.620 116 HA ALA 82 HA ALA 82 4.990 2.183 -9.202 117 HB1 ALA 82 1HB ALA 82 3.270 2.357 -6.730 118 HB2 ALA 82 2HB ALA 82 2.941 3.155 -8.268 119 HB3 ALA 82 3HB ALA 82 4.363 3.606 -7.325 120 H ILE 83 H ILE 83 4.420 -0.209 -6.726 121 HA ILE 83 HA ILE 83 6.723 0.382 -5.173 122 HB ILE 83 HB ILE 83 5.159 -2.211 -5.345 123 HG12 ILE 83 2HG1 ILE 83 4.920 0.131 -3.438 124 HG13 ILE 83 1HG1 ILE 83 3.738 -0.351 -4.644 125 HG21 ILE 83 1HG2 ILE 83 7.112 -1.247 -3.236 126 HG22 ILE 83 2HG2 ILE 83 7.382 -2.566 -4.373 127 HG23 ILE 83 3HG2 ILE 83 6.138 -2.716 -3.129 128 HD11 ILE 83 1HD1 ILE 83 4.523 -1.942 -2.210 129 HD12 ILE 83 2HD1 ILE 83 3.318 -2.424 -3.405 130 HD13 ILE 83 3HD1 ILE 83 3.047 -0.999 -2.397 131 H ARG 84 H ARG 84 6.080 -1.823 -7.861 132 HA ARG 84 HA ARG 84 8.594 -3.164 -7.936 133 HB2 ARG 84 2HB ARG 84 7.099 -2.312 -10.378 134 HB3 ARG 84 1HB ARG 84 8.150 -3.699 -10.213 135 HG2 ARG 84 2HG ARG 84 6.456 -4.810 -8.849 136 HG3 ARG 84 1HG ARG 84 5.397 -3.400 -9.023 137 HD2 ARG 84 2HD ARG 84 6.349 -5.286 -11.174 138 HD3 ARG 84 1HD ARG 84 4.689 -4.914 -10.702 139 HE ARG 84 HE ARG 84 6.203 -2.636 -11.695 140 HH11 ARG 84 1HH1 ARG 84 3.980 -5.210 -12.651 141 HH12 ARG 84 2HH1 ARG 84 3.531 -4.440 -14.097 142 HH21 ARG 84 1HH2 ARG 84 5.699 -1.651 -13.575 143 HH22 ARG 84 2HH2 ARG 84 4.553 -2.316 -14.666 144 H GLU 85 H GLU 85 7.332 -0.274 -9.493 145 HA GLU 85 HA GLU 85 9.570 0.349 -11.056 146 HB2 GLU 85 2HB GLU 85 7.503 2.260 -9.968 147 HB3 GLU 85 1HB GLU 85 8.535 2.541 -11.356 148 HG2 GLU 85 2HG GLU 85 6.244 0.601 -11.105 149 HG3 GLU 85 1HG GLU 85 6.380 1.988 -12.180 150 H TRP 86 H TRP 86 8.525 1.593 -7.908 151 HA TRP 86 HA TRP 86 10.665 3.262 -7.299 152 HB2 TRP 86 2HB TRP 86 8.686 3.273 -5.935 153 HB3 TRP 86 1HB TRP 86 8.852 1.567 -5.563 154 HD1 TRP 86 HD TRP 86 10.230 4.994 -4.576 155 HE1 TRP 86 1HE TRP 86 11.513 4.746 -2.337 156 HE3 TRP 86 3HE TRP 86 10.091 -0.077 -4.121 157 HZ2 TRP 86 2HZ TRP 86 12.338 2.655 -0.631 158 HZ3 TRP 86 3HZ TRP 86 11.151 -1.117 -2.159 159 HH2 TRP 86 HH TRP 86 12.237 0.231 -0.463 160 H ALA 87 H ALA 87 10.253 -0.194 -6.793 161 HA ALA 87 HA ALA 87 12.623 -0.734 -5.425 162 HB1 ALA 87 1HB ALA 87 10.745 -2.281 -5.552 163 HB2 ALA 87 2HB ALA 87 12.225 -3.071 -6.113 164 HB3 ALA 87 3HB ALA 87 11.031 -2.493 -7.272 165 H ARG 88 H ARG 88 11.921 -0.679 -8.877 166 HA ARG 88 HA ARG 88 14.540 -1.526 -9.580 167 HB2 ARG 88 2HB ARG 88 12.404 -0.239 -11.272 168 HB3 ARG 88 1HB ARG 88 13.926 -0.865 -11.898 169 HG2 ARG 88 2HG ARG 88 13.342 -3.083 -10.997 170 HG3 ARG 88 1HG ARG 88 11.776 -2.445 -10.511 171 HD2 ARG 88 2HD ARG 88 11.643 -3.643 -12.626 172 HD3 ARG 88 1HD ARG 88 11.256 -1.936 -12.833 173 HE ARG 88 HE ARG 88 13.221 -1.627 -14.001 174 HH11 ARG 88 1HH1 ARG 88 13.184 -4.927 -12.735 175 HH12 ARG 88 2HH1 ARG 88 14.279 -5.526 -13.893 176 HH21 ARG 88 1HH2 ARG 88 14.732 -2.481 -15.603 177 HH22 ARG 88 2HH2 ARG 88 15.170 -4.119 -15.550 178 H ARG 89 H ARG 89 13.091 1.589 -9.065 179 HA ARG 89 HA ARG 89 15.248 3.100 -10.112 180 HB2 ARG 89 2HB ARG 89 13.267 3.827 -7.938 181 HB3 ARG 89 1HB ARG 89 14.434 4.947 -8.618 182 HG2 ARG 89 2HG ARG 89 13.376 4.664 -10.830 183 HG3 ARG 89 1HG ARG 89 12.178 3.598 -10.092 184 HD2 ARG 89 2HD ARG 89 11.453 5.387 -8.631 185 HD3 ARG 89 1HD ARG 89 12.678 6.459 -9.293 186 HE ARG 89 HE ARG 89 10.547 5.338 -10.984 187 HH11 ARG 89 1HH1 ARG 89 12.381 8.153 -9.851 188 HH12 ARG 89 2HH1 ARG 89 11.450 9.290 -10.695 189 HH21 ARG 89 1HH2 ARG 89 9.234 6.899 -12.137 190 HH22 ARG 89 2HH2 ARG 89 9.582 8.562 -12.015 191 H ASN 90 H ASN 90 14.602 1.769 -6.924 192 HA ASN 90 HA ASN 90 17.034 2.791 -5.799 193 HB2 ASN 90 2HB ASN 90 15.047 0.773 -4.807 194 HB3 ASN 90 1HB ASN 90 16.555 1.030 -3.957 195 HD21 ASN 90 1HD2 ASN 90 13.457 2.277 -4.716 196 HD22 ASN 90 2HD2 ASN 90 13.505 3.613 -3.629 197 H GLY 91 H GLY 91 16.118 -0.170 -7.355 198 HA2 GLY 91 2HA GLY 91 17.787 -1.381 -8.578 199 HA3 GLY 91 1HA GLY 91 18.962 -0.906 -7.362 200 H HIS 92 H HIS 92 15.746 -2.164 -6.798 201 HA HIS 92 HA HIS 92 16.906 -4.359 -5.267 202 HB2 HIS 92 2HB HIS 92 14.004 -3.551 -5.582 203 HB3 HIS 92 1HB HIS 92 14.603 -4.731 -4.438 204 HD1 HIS 92 1HD HIS 92 16.996 -2.838 -3.342 205 HD2 HIS 92 2HD HIS 92 12.990 -1.820 -3.746 206 HE1 HIS 92 1HE HIS 92 16.594 -0.837 -1.836 207 H ASN 93 H ASN 93 15.695 -6.525 -5.613 208 HA ASN 93 HA ASN 93 15.861 -6.956 -8.469 209 HB2 ASN 93 2HB ASN 93 16.001 -8.897 -6.173 210 HB3 ASN 93 1HB ASN 93 15.806 -9.442 -7.832 211 HD21 ASN 93 1HD2 ASN 93 17.977 -8.028 -5.535 212 HD22 ASN 93 2HD2 ASN 93 19.387 -8.129 -6.526 213 H VAL 94 H VAL 94 13.986 -6.078 -9.094 214 HA VAL 94 HA VAL 94 11.722 -7.914 -9.003 215 HB VAL 94 HB VAL 94 11.404 -4.889 -8.743 216 HG11 VAL 94 1HG1 VAL 94 9.023 -5.365 -8.402 217 HG12 VAL 94 2HG1 VAL 94 9.342 -7.078 -8.660 218 HG13 VAL 94 3HG1 VAL 94 9.599 -5.928 -9.973 219 HG21 VAL 94 1HG2 VAL 94 10.507 -5.267 -6.481 220 HG22 VAL 94 2HG2 VAL 94 12.193 -5.766 -6.604 221 HG23 VAL 94 3HG2 VAL 94 10.911 -6.978 -6.619 222 H SER 95 H SER 95 11.293 -8.336 -11.141 223 HA SER 95 HA SER 95 12.229 -6.361 -13.033 224 HB2 SER 95 2HB SER 95 12.988 -8.742 -13.306 225 HB3 SER 95 1HB SER 95 11.312 -9.197 -13.601 226 HG SER 95 HG SER 95 11.775 -8.760 -15.594 227 H THR 96 H THR 96 9.470 -8.600 -13.361 228 HA THR 96 HA THR 96 7.748 -6.275 -13.597 229 HB THR 96 HB THR 96 6.635 -7.465 -15.582 230 HG1 THR 96 1HG THR 96 7.642 -9.033 -16.519 231 HG21 THR 96 1HG2 THR 96 7.872 -5.366 -15.836 232 HG22 THR 96 2HG2 THR 96 8.163 -6.426 -17.217 233 HG23 THR 96 3HG2 THR 96 9.385 -6.263 -15.950 234 H ARG 97 H ARG 97 7.771 -9.857 -13.586 235 HA ARG 97 HA ARG 97 5.318 -9.674 -12.016 236 HB2 ARG 97 2HB ARG 97 6.182 -11.768 -13.980 237 HB3 ARG 97 1HB ARG 97 5.042 -12.166 -12.708 238 HG2 ARG 97 2HG ARG 97 3.587 -10.304 -13.527 239 HG3 ARG 97 1HG ARG 97 4.707 -10.115 -14.880 240 HD2 ARG 97 2HD ARG 97 4.253 -12.326 -15.657 241 HD3 ARG 97 1HD ARG 97 3.334 -12.705 -14.207 242 HE ARG 97 HE ARG 97 2.044 -10.570 -15.282 243 HH11 ARG 97 1HH1 ARG 97 2.885 -13.810 -16.429 244 HH12 ARG 97 2HH1 ARG 97 1.530 -13.957 -17.455 245 HH21 ARG 97 1HH2 ARG 97 0.163 -10.783 -16.718 246 HH22 ARG 97 2HH2 ARG 97 -0.029 -12.212 -17.626 247 H GLY 98 H GLY 98 5.041 -11.960 -10.830 248 HA2 GLY 98 2HA GLY 98 6.014 -13.405 -9.213 249 HA3 GLY 98 1HA GLY 98 7.485 -12.432 -9.268 250 H ARG 99 H ARG 99 4.553 -10.832 -9.337 251 HA ARG 99 HA ARG 99 3.572 -9.282 -8.106 252 HB2 ARG 99 2HB ARG 99 2.938 -11.295 -6.713 253 HB3 ARG 99 1HB ARG 99 4.314 -10.959 -5.679 254 HG2 ARG 99 2HG ARG 99 3.286 -8.678 -5.282 255 HG3 ARG 99 1HG ARG 99 1.851 -9.282 -6.111 256 HD2 ARG 99 2HD ARG 99 3.096 -10.415 -3.610 257 HD3 ARG 99 1HD ARG 99 1.613 -9.476 -3.697 258 HE ARG 99 HE ARG 99 1.275 -11.647 -5.355 259 HH11 ARG 99 1HH1 ARG 99 1.692 -11.010 -1.894 260 HH12 ARG 99 2HH1 ARG 99 1.005 -12.490 -1.400 261 HH21 ARG 99 1HH2 ARG 99 0.325 -13.699 -4.652 262 HH22 ARG 99 2HH2 ARG 99 0.209 -14.033 -2.990 263 H ILE 100 H ILE 100 5.308 -9.533 -5.279 264 HA ILE 100 HA ILE 100 7.467 -7.722 -5.905 265 HB ILE 100 HB ILE 100 5.355 -6.832 -3.915 266 HG12 ILE 100 2HG1 ILE 100 5.861 -5.470 -6.565 267 HG13 ILE 100 1HG1 ILE 100 4.526 -6.587 -6.301 268 HG21 ILE 100 1HG2 ILE 100 7.603 -6.138 -3.427 269 HG22 ILE 100 2HG2 ILE 100 6.623 -4.746 -3.875 270 HG23 ILE 100 3HG2 ILE 100 7.772 -5.426 -5.033 271 HD11 ILE 100 1HD1 ILE 100 5.003 -4.089 -4.727 272 HD12 ILE 100 2HD1 ILE 100 3.602 -5.160 -4.620 273 HD13 ILE 100 3HD1 ILE 100 3.896 -4.224 -6.092 274 HA PRO 101 HA PRO 101 8.724 -10.134 -2.176 275 HB2 PRO 101 2HB PRO 101 10.627 -7.863 -2.036 276 HB3 PRO 101 1HB PRO 101 10.964 -9.605 -1.971 277 HG2 PRO 101 2HG PRO 101 11.591 -8.250 -4.126 278 HG3 PRO 101 1HG PRO 101 10.871 -9.870 -4.252 279 HD2 PRO 101 2HD PRO 101 9.594 -7.223 -4.705 280 HD3 PRO 101 1HD PRO 101 9.360 -8.762 -5.568 281 H ALA 102 H ALA 102 7.814 -9.952 -0.337 282 HA ALA 102 HA ALA 102 6.317 -7.756 0.518 283 HB1 ALA 102 1HB ALA 102 7.459 -9.980 2.191 284 HB2 ALA 102 2HB ALA 102 5.931 -10.032 1.310 285 HB3 ALA 102 3HB ALA 102 6.137 -8.912 2.657 286 H ASP 103 H ASP 103 9.589 -8.684 1.086 287 HA ASP 103 HA ASP 103 10.261 -6.824 3.092 288 HB2 ASP 103 2HB ASP 103 12.025 -7.979 0.919 289 HB3 ASP 103 1HB ASP 103 12.603 -7.140 2.349 290 H VAL 104 H VAL 104 10.113 -6.635 -0.412 291 HA VAL 104 HA VAL 104 11.246 -4.014 -0.561 292 HB VAL 104 HB VAL 104 9.734 -5.718 -2.561 293 HG11 VAL 104 1HG1 VAL 104 10.170 -3.995 -4.263 294 HG12 VAL 104 2HG1 VAL 104 10.765 -2.906 -3.000 295 HG13 VAL 104 3HG1 VAL 104 9.075 -3.440 -2.999 296 HG21 VAL 104 1HG2 VAL 104 12.059 -6.287 -2.096 297 HG22 VAL 104 2HG2 VAL 104 12.546 -4.639 -2.497 298 HG23 VAL 104 3HG2 VAL 104 11.866 -5.681 -3.743 299 H ILE 105 H ILE 105 8.010 -5.300 -0.380 300 HA ILE 105 HA ILE 105 6.604 -2.874 -0.711 301 HB ILE 105 HB ILE 105 5.818 -5.340 0.884 302 HG12 ILE 105 2HG1 ILE 105 5.146 -4.485 -1.927 303 HG13 ILE 105 1HG1 ILE 105 6.326 -5.702 -1.508 304 HG21 ILE 105 1HG2 ILE 105 3.502 -4.554 0.644 305 HG22 ILE 105 2HG2 ILE 105 4.080 -3.083 -0.137 306 HG23 ILE 105 3HG2 ILE 105 4.476 -3.399 1.555 307 HD11 ILE 105 1HD1 ILE 105 4.201 -6.695 -2.226 308 HD12 ILE 105 2HD1 ILE 105 3.376 -5.859 -0.910 309 HD13 ILE 105 3HD1 ILE 105 4.564 -7.105 -0.551 310 H ASP 106 H ASP 106 7.855 -4.504 2.152 311 HA ASP 106 HA ASP 106 7.025 -2.664 4.135 312 HB2 ASP 106 2HB ASP 106 7.849 -4.838 4.783 313 HB3 ASP 106 1HB ASP 106 9.379 -4.558 3.974 314 H ALA 107 H ALA 107 9.903 -2.873 2.168 315 HA ALA 107 HA ALA 107 11.233 -0.652 3.230 316 HB1 ALA 107 1HB ALA 107 12.627 -0.781 1.259 317 HB2 ALA 107 2HB ALA 107 11.406 -1.790 0.457 318 HB3 ALA 107 3HB ALA 107 12.273 -2.409 1.853 319 H TYR 108 H TYR 108 9.016 -0.939 0.483 320 HA TYR 108 HA TYR 108 9.065 1.734 -0.377 321 HB2 TYR 108 2HB TYR 108 8.108 -0.036 -1.736 322 HB3 TYR 108 1HB TYR 108 6.857 -0.334 -0.541 323 HD1 TYR 108 1HD TYR 108 8.008 1.911 -3.208 324 HD2 TYR 108 2HD TYR 108 4.891 1.120 -0.422 325 HE1 TYR 108 1HE TYR 108 6.536 3.450 -4.429 326 HE2 TYR 108 2HE TYR 108 3.412 2.661 -1.630 327 HH TYR 108 HH TYR 108 3.559 4.539 -3.143 328 H HIS 109 H HIS 109 7.025 0.101 1.969 329 HA HIS 109 HA HIS 109 5.463 2.395 2.562 330 HB2 HIS 109 2HB HIS 109 5.776 -0.290 3.852 331 HB3 HIS 109 1HB HIS 109 4.829 0.941 4.666 332 HD1 HIS 109 1HD HIS 109 2.373 0.830 4.063 333 HD2 HIS 109 2HD HIS 109 4.780 -0.720 1.056 334 HE1 HIS 109 1HE HIS 109 0.815 -0.003 2.259 335 H ALA 110 H ALA 110 8.450 1.188 3.805 336 HA ALA 110 HA ALA 110 8.471 2.991 6.043 337 HB1 ALA 110 1HB ALA 110 10.731 1.376 4.866 338 HB2 ALA 110 2HB ALA 110 9.639 0.829 6.136 339 HB3 ALA 110 3HB ALA 110 10.737 2.177 6.436 340 H ALA 111 H ALA 111 9.800 2.959 2.799 341 HA ALA 111 HA ALA 111 11.517 5.179 3.144 342 HB1 ALA 111 1HB ALA 111 11.851 3.503 1.400 343 HB2 ALA 111 2HB ALA 111 11.762 5.141 0.744 344 HB3 ALA 111 3HB ALA 111 10.378 4.056 0.599 345 H ASP 112 H ASP 112 11.160 7.212 3.118 346 HA ASP 112 HA ASP 112 9.178 8.463 1.536 347 HB2 ASP 112 2HB ASP 112 7.728 7.977 3.435 348 HB3 ASP 112 1HB ASP 112 8.940 8.577 4.558
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