NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
16136 | 1zit | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 -2.382 -1.483 17.469 2 2H MET 1 2HT MET 1 -1.896 -0.707 18.920 3 3H MET 1 3HT MET 1 -0.715 -1.278 17.813 4 HA MET 1 HA MET 1 -2.713 0.751 17.107 5 1HB MET 1 2HB MET 1 -0.776 1.028 19.066 6 2HB MET 1 1HB MET 1 0.012 1.673 17.633 7 1HG MET 1 2HG MET 1 -1.332 3.476 17.536 8 2HG MET 1 1HG MET 1 -2.746 2.588 18.101 9 1HE MET 1 1HE MET 1 -1.405 5.745 19.206 10 2HE MET 1 2HE MET 1 -2.437 5.532 20.621 11 3HE MET 1 3HE MET 1 -3.019 5.056 19.026 12 H LYS 2 H LYS 2 -1.912 -1.430 15.526 13 HA LYS 2 HA LYS 2 -0.168 -0.103 13.556 14 1HB LYS 2 2HB LYS 2 -0.442 -3.056 14.130 15 2HB LYS 2 1HB LYS 2 0.479 -2.378 12.794 16 1HG LYS 2 2HG LYS 2 1.032 -1.737 15.679 17 2HG LYS 2 1HG LYS 2 1.822 -3.046 14.797 18 1HD LYS 2 2HD LYS 2 2.167 -0.947 13.092 19 2HD LYS 2 1HD LYS 2 2.253 -0.146 14.662 20 1HE LYS 2 2HE LYS 2 3.766 -2.657 14.460 21 2HE LYS 2 1HE LYS 2 4.349 -1.351 13.429 22 1HZ LYS 2 1HZ LYS 2 3.936 -1.190 16.366 23 2HZ LYS 2 2HZ LYS 2 4.479 0.075 15.380 24 3HZ LYS 2 3HZ LYS 2 5.430 -1.310 15.581 25 H ARG 3 H ARG 3 -1.108 0.374 11.693 26 HA ARG 3 HA ARG 3 -3.204 -1.340 10.621 27 1HB ARG 3 2HB ARG 3 -3.685 1.628 10.776 28 2HB ARG 3 1HB ARG 3 -4.832 0.354 10.382 29 1HG ARG 3 2HG ARG 3 -5.443 0.932 12.527 30 2HG ARG 3 1HG ARG 3 -4.393 -0.460 12.798 31 1HD ARG 3 2HD ARG 3 -3.219 0.822 14.189 32 2HD ARG 3 1HD ARG 3 -2.669 1.720 12.775 33 HE ARG 3 HE ARG 3 -4.045 3.454 13.373 34 1HH1 ARG 3 1HH1 ARG 3 -4.905 0.623 15.224 35 2HH1 ARG 3 2HH1 ARG 3 -5.977 1.483 16.277 36 1HH2 ARG 3 1HH2 ARG 3 -5.455 4.587 14.756 37 2HH2 ARG 3 2HH2 ARG 3 -6.292 3.734 16.009 38 H VAL 4 H VAL 4 -2.934 -1.619 8.506 39 HA VAL 4 HA VAL 4 -1.442 0.421 6.990 40 HB VAL 4 HB VAL 4 -1.198 -2.580 6.685 41 1HG1 VAL 4 1HG1 VAL 4 -0.040 -0.289 5.132 42 2HG1 VAL 4 2HG1 VAL 4 -0.895 -1.710 4.535 43 3HG1 VAL 4 3HG1 VAL 4 0.742 -1.868 5.174 44 1HG2 VAL 4 1HG2 VAL 4 0.815 -0.567 7.693 45 2HG2 VAL 4 2HG2 VAL 4 1.077 -2.301 7.507 46 3HG2 VAL 4 3HG2 VAL 4 -0.081 -1.705 8.696 47 H LEU 5 H LEU 5 -1.867 0.287 4.587 48 HA LEU 5 HA LEU 5 -4.622 -0.633 4.095 49 1HB LEU 5 2HB LEU 5 -4.465 1.814 4.233 50 2HB LEU 5 1HB LEU 5 -3.266 1.809 2.955 51 HG LEU 5 HG LEU 5 -4.955 0.889 1.399 52 1HD1 LEU 5 1HD1 LEU 5 -6.954 0.145 2.041 53 2HD1 LEU 5 2HD1 LEU 5 -7.253 1.564 3.045 54 3HD1 LEU 5 3HD1 LEU 5 -6.328 0.208 3.688 55 1HD2 LEU 5 1HD2 LEU 5 -6.521 3.019 1.643 56 2HD2 LEU 5 2HD2 LEU 5 -4.853 3.140 1.081 57 3HD2 LEU 5 3HD2 LEU 5 -5.247 3.509 2.760 58 H VAL 6 H VAL 6 -5.018 -1.820 2.331 59 HA VAL 6 HA VAL 6 -2.800 -2.222 0.427 60 HB VAL 6 HB VAL 6 -4.893 -4.291 1.085 61 1HG1 VAL 6 1HG1 VAL 6 -3.922 -4.746 -1.013 62 2HG1 VAL 6 2HG1 VAL 6 -3.093 -5.804 0.129 63 3HG1 VAL 6 3HG1 VAL 6 -2.304 -4.333 -0.443 64 1HG2 VAL 6 1HG2 VAL 6 -3.677 -5.139 2.794 65 2HG2 VAL 6 2HG2 VAL 6 -3.137 -3.465 2.938 66 3HG2 VAL 6 3HG2 VAL 6 -2.138 -4.643 2.089 67 H VAL 7 H VAL 7 -3.221 -1.802 -1.644 68 HA VAL 7 HA VAL 7 -6.041 -1.597 -2.484 69 HB VAL 7 HB VAL 7 -3.780 -0.016 -3.706 70 1HG1 VAL 7 1HG1 VAL 7 -6.022 -0.501 -4.895 71 2HG1 VAL 7 2HG1 VAL 7 -5.405 1.150 -4.875 72 3HG1 VAL 7 3HG1 VAL 7 -6.689 0.674 -3.763 73 1HG2 VAL 7 1HG2 VAL 7 -5.759 1.022 -1.687 74 2HG2 VAL 7 2HG2 VAL 7 -4.380 1.871 -2.386 75 3HG2 VAL 7 3HG2 VAL 7 -4.117 0.526 -1.277 76 H ASP 8 H ASP 8 -6.618 -2.943 -4.078 77 HA ASP 8 HA ASP 8 -4.815 -3.652 -6.191 78 1HB ASP 8 2HB ASP 8 -3.901 -5.207 -4.663 79 2HB ASP 8 1HB ASP 8 -5.480 -5.647 -4.027 80 H ASP 9 H ASP 9 -5.866 -4.567 -7.954 81 HA ASP 9 HA ASP 9 -8.778 -4.390 -7.829 82 1HB ASP 9 2HB ASP 9 -7.600 -3.058 -9.534 83 2HB ASP 9 1HB ASP 9 -6.951 -4.537 -10.234 84 H GLU 10 H GLU 10 -8.075 -6.639 -6.591 85 HA GLU 10 HA GLU 10 -9.399 -8.633 -8.064 86 1HB GLU 10 2HB GLU 10 -7.655 -10.224 -8.504 87 2HB GLU 10 1HB GLU 10 -7.226 -8.703 -9.272 88 1HG GLU 10 2HG GLU 10 -5.605 -8.226 -7.609 89 2HG GLU 10 1HG GLU 10 -6.157 -9.560 -6.598 90 H GLU 11 H GLU 11 -10.346 -9.935 -6.659 91 HA GLU 11 HA GLU 11 -10.919 -10.955 -4.710 92 1HB GLU 11 2HB GLU 11 -8.568 -11.962 -5.259 93 2HB GLU 11 1HB GLU 11 -8.041 -11.006 -3.880 94 1HG GLU 11 2HG GLU 11 -8.895 -12.451 -2.428 95 2HG GLU 11 1HG GLU 11 -10.429 -12.533 -3.291 96 H SER 12 H SER 12 -11.020 -10.703 -2.356 97 HA SER 12 HA SER 12 -11.242 -8.004 -1.601 98 1HB SER 12 2HB SER 12 -10.959 -9.966 0.590 99 2HB SER 12 1HB SER 12 -12.248 -8.805 0.273 100 HG SER 12 HG SER 12 -11.910 -11.411 -0.712 101 H ILE 13 H ILE 13 -9.134 -10.420 -0.047 102 HA ILE 13 HA ILE 13 -7.267 -8.272 0.638 103 HB ILE 13 HB ILE 13 -7.042 -11.129 1.544 104 1HG1 ILE 13 2HG1 ILE 13 -9.316 -10.266 2.086 105 2HG1 ILE 13 1HG1 ILE 13 -8.344 -10.597 3.516 106 1HG2 ILE 13 1HG2 ILE 13 -5.108 -10.145 2.202 107 2HG2 ILE 13 2HG2 ILE 13 -6.117 -9.687 3.574 108 3HG2 ILE 13 3HG2 ILE 13 -5.822 -8.533 2.273 109 1HD1 ILE 13 1HD1 ILE 13 -7.926 -8.270 3.845 110 2HD1 ILE 13 2HD1 ILE 13 -9.662 -8.502 3.633 111 3HD1 ILE 13 3HD1 ILE 13 -8.687 -7.867 2.306 112 H THR 14 H THR 14 -4.924 -8.779 0.495 113 HA THR 14 HA THR 14 -4.342 -9.892 -2.125 114 HB THR 14 HB THR 14 -2.070 -8.928 -1.736 115 HG1 THR 14 1HG THR 14 -1.730 -7.687 0.078 116 1HG2 THR 14 1HG2 THR 14 -2.689 -6.578 -1.813 117 2HG2 THR 14 2HG2 THR 14 -4.317 -6.983 -1.271 118 3HG2 THR 14 3HG2 THR 14 -3.743 -7.549 -2.840 119 H SER 15 H SER 15 -3.374 -11.782 -2.476 120 HA SER 15 HA SER 15 -3.268 -13.805 -0.633 121 1HB SER 15 2HB SER 15 -1.219 -13.893 -2.783 122 2HB SER 15 1HB SER 15 -2.408 -15.103 -2.307 123 HG SER 15 HG SER 15 -2.881 -14.141 -4.342 124 H SER 16 H SER 16 -1.927 -14.527 0.879 125 HA SER 16 HA SER 16 -0.065 -14.849 2.151 126 1HB SER 16 2HB SER 16 1.429 -12.986 0.301 127 2HB SER 16 1HB SER 16 2.116 -14.151 1.429 128 HG SER 16 HG SER 16 0.413 -14.916 -0.697 129 H LEU 17 H LEU 17 -1.413 -11.788 1.517 130 HA LEU 17 HA LEU 17 0.128 -10.315 3.433 131 1HB LEU 17 2HB LEU 17 -1.578 -9.663 1.385 132 2HB LEU 17 1HB LEU 17 -2.574 -9.339 2.782 133 HG LEU 17 HG LEU 17 -0.474 -7.741 1.619 134 1HD1 LEU 17 1HD1 LEU 17 -2.446 -6.657 2.019 135 2HD1 LEU 17 2HD1 LEU 17 -1.480 -6.139 3.401 136 3HD1 LEU 17 3HD1 LEU 17 -2.679 -7.418 3.591 137 1HD2 LEU 17 1HD2 LEU 17 0.366 -6.997 3.965 138 2HD2 LEU 17 2HD2 LEU 17 1.130 -8.369 3.166 139 3HD2 LEU 17 3HD2 LEU 17 -0.054 -8.641 4.444 140 H SER 18 H SER 18 -3.234 -11.503 3.382 141 HA SER 18 HA SER 18 -4.093 -10.781 5.862 142 1HB SER 18 2HB SER 18 -5.158 -12.285 3.914 143 2HB SER 18 1HB SER 18 -4.757 -13.564 5.060 144 HG SER 18 HG SER 18 -6.025 -12.548 6.598 145 H ALA 19 H ALA 19 -2.721 -14.017 5.221 146 HA ALA 19 HA ALA 19 -2.497 -14.902 7.810 147 1HB ALA 19 1HB ALA 19 -2.046 -16.247 5.776 148 2HB ALA 19 2HB ALA 19 -0.829 -16.452 7.036 149 3HB ALA 19 3HB ALA 19 -0.484 -15.442 5.632 150 H ILE 20 H ILE 20 -0.240 -12.862 6.020 151 HA ILE 20 HA ILE 20 1.819 -12.826 7.936 152 HB ILE 20 HB ILE 20 1.067 -10.947 5.707 153 1HG1 ILE 20 2HG1 ILE 20 3.486 -12.707 6.125 154 2HG1 ILE 20 1HG1 ILE 20 2.055 -13.185 5.216 155 1HG2 ILE 20 1HG2 ILE 20 2.932 -10.457 7.925 156 2HG2 ILE 20 2HG2 ILE 20 2.150 -9.322 6.825 157 3HG2 ILE 20 3HG2 ILE 20 3.598 -10.189 6.313 158 1HD1 ILE 20 1HD1 ILE 20 4.324 -11.811 4.295 159 2HD1 ILE 20 2HD1 ILE 20 2.980 -10.674 4.249 160 3HD1 ILE 20 3HD1 ILE 20 2.858 -12.216 3.402 161 H LEU 21 H LEU 21 -0.412 -10.117 7.202 162 HA LEU 21 HA LEU 21 0.131 -8.574 9.413 163 1HB LEU 21 2HB LEU 21 -2.581 -8.943 8.152 164 2HB LEU 21 1HB LEU 21 -2.048 -7.561 9.093 165 HG LEU 21 HG LEU 21 -0.294 -8.095 6.834 166 1HD1 LEU 21 1HD1 LEU 21 -1.822 -8.570 5.296 167 2HD1 LEU 21 2HD1 LEU 21 -2.383 -6.910 5.484 168 3HD1 LEU 21 3HD1 LEU 21 -3.156 -8.211 6.389 169 1HD2 LEU 21 1HD2 LEU 21 -1.618 -5.831 8.187 170 2HD2 LEU 21 2HD2 LEU 21 -1.209 -5.606 6.486 171 3HD2 LEU 21 3HD2 LEU 21 0.050 -6.018 7.650 172 H GLU 22 H GLU 22 -1.837 -11.448 9.190 173 HA GLU 22 HA GLU 22 -3.134 -11.182 11.703 174 1HB GLU 22 2HB GLU 22 -3.574 -12.744 9.587 175 2HB GLU 22 1HB GLU 22 -2.658 -13.877 10.573 176 1HG GLU 22 2HG GLU 22 -4.292 -13.289 12.442 177 2HG GLU 22 1HG GLU 22 -5.281 -12.563 11.175 178 H GLU 23 H GLU 23 -0.036 -12.386 10.678 179 HA GLU 23 HA GLU 23 0.487 -13.782 13.150 180 1HB GLU 23 2HB GLU 23 1.537 -14.740 11.271 181 2HB GLU 23 1HB GLU 23 2.087 -13.182 10.673 182 1HG GLU 23 2HG GLU 23 3.979 -13.283 11.832 183 2HG GLU 23 1HG GLU 23 3.157 -13.822 13.296 184 H GLU 24 H GLU 24 1.220 -10.685 11.683 185 HA GLU 24 HA GLU 24 3.053 -9.897 13.755 186 1HB GLU 24 2HB GLU 24 1.834 -8.504 11.396 187 2HB GLU 24 1HB GLU 24 2.748 -7.611 12.604 188 1HG GLU 24 2HG GLU 24 3.792 -9.927 10.992 189 2HG GLU 24 1HG GLU 24 4.110 -8.223 10.668 190 H GLY 25 H GLY 25 -0.332 -9.360 12.977 191 1HA GLY 25 2HA GLY 25 -1.997 -8.910 14.584 192 2HA GLY 25 1HA GLY 25 -0.747 -8.356 15.685 193 H TYR 26 H TYR 26 -1.590 -7.449 12.361 194 HA TYR 26 HA TYR 26 -1.584 -4.635 13.197 195 1HB TYR 26 2HB TYR 26 -1.096 -6.030 10.591 196 2HB TYR 26 1HB TYR 26 -1.579 -4.344 10.599 197 HD1 TYR 26 1HD TYR 26 0.269 -3.124 9.972 198 HD2 TYR 26 2HD TYR 26 0.734 -6.210 12.860 199 HE1 TYR 26 1HE TYR 26 2.605 -2.443 10.306 200 HE2 TYR 26 2HE TYR 26 3.075 -5.539 13.204 201 HH TYR 26 HH TYR 26 4.875 -4.230 11.583 202 H HIS 27 H HIS 27 -2.982 -3.389 11.376 203 HA HIS 27 HA HIS 27 -5.654 -4.603 11.277 204 1HB HIS 27 2HB HIS 27 -4.971 -2.493 12.961 205 2HB HIS 27 1HB HIS 27 -5.705 -1.695 11.576 206 HD1 HIS 27 1HD HIS 27 -6.957 -1.931 14.494 207 HD2 HIS 27 2HD HIS 27 -7.979 -4.215 11.177 208 HE1 HIS 27 1HE HIS 27 -9.292 -2.754 14.938 209 HE2 HIS 27 2HE HIS 27 -9.859 -4.196 12.952 210 HA PRO 28 HA PRO 28 -4.352 -2.981 7.187 211 1HB PRO 28 2HB PRO 28 -4.532 -5.252 5.785 212 2HB PRO 28 1HB PRO 28 -3.134 -4.894 6.805 213 1HG PRO 28 2HG PRO 28 -5.429 -6.723 7.308 214 2HG PRO 28 1HG PRO 28 -3.727 -6.900 7.766 215 1HD PRO 28 2HD PRO 28 -5.795 -6.019 9.431 216 2HD PRO 28 1HD PRO 28 -4.060 -5.835 9.745 217 H ASP 29 H ASP 29 -5.609 -2.244 5.587 218 HA ASP 29 HA ASP 29 -8.359 -3.275 5.376 219 1HB ASP 29 2HB ASP 29 -8.345 -1.067 6.480 220 2HB ASP 29 1HB ASP 29 -7.464 -0.395 5.112 221 H THR 30 H THR 30 -8.722 -4.114 3.420 222 HA THR 30 HA THR 30 -6.925 -3.345 1.244 223 HB THR 30 HB THR 30 -7.596 -5.412 0.155 224 HG1 THR 30 1HG THR 30 -9.679 -5.712 0.711 225 1HG2 THR 30 1HG2 THR 30 -6.287 -6.733 1.381 226 2HG2 THR 30 2HG2 THR 30 -7.280 -6.540 2.825 227 3HG2 THR 30 3HG2 THR 30 -6.079 -5.317 2.412 228 H ALA 31 H ALA 31 -7.592 -2.551 -0.669 229 HA ALA 31 HA ALA 31 -10.426 -1.779 -0.863 230 1HB ALA 31 1HB ALA 31 -9.815 0.220 -1.721 231 2HB ALA 31 2HB ALA 31 -8.464 -0.462 -2.627 232 3HB ALA 31 3HB ALA 31 -8.292 -0.129 -0.904 233 H LYS 32 H LYS 32 -10.444 -1.120 -3.587 234 HA LYS 32 HA LYS 32 -9.775 -3.650 -4.915 235 1HB LYS 32 2HB LYS 32 -12.333 -2.416 -5.733 236 2HB LYS 32 1HB LYS 32 -11.891 -4.111 -5.599 237 1HG LYS 32 2HG LYS 32 -12.317 -4.150 -3.289 238 2HG LYS 32 1HG LYS 32 -12.357 -2.390 -3.190 239 1HD LYS 32 2HD LYS 32 -14.438 -2.276 -4.301 240 2HD LYS 32 1HD LYS 32 -14.331 -3.955 -4.834 241 1HE LYS 32 2HE LYS 32 -15.040 -4.773 -2.845 242 2HE LYS 32 1HE LYS 32 -14.245 -3.501 -1.918 243 1HZ LYS 32 1HZ LYS 32 -16.943 -3.637 -2.898 244 2HZ LYS 32 2HZ LYS 32 -16.186 -2.165 -3.248 245 3HZ LYS 32 3HZ LYS 32 -16.293 -2.701 -1.648 246 H THR 33 H THR 33 -9.623 -0.311 -4.970 247 HA THR 33 HA THR 33 -8.358 -0.254 -7.494 248 HB THR 33 HB THR 33 -10.538 1.605 -7.844 249 HG1 THR 33 1HG THR 33 -11.967 0.303 -6.910 250 1HG2 THR 33 1HG2 THR 33 -8.921 0.405 -9.528 251 2HG2 THR 33 2HG2 THR 33 -10.550 0.890 -10.000 252 3HG2 THR 33 3HG2 THR 33 -10.219 -0.788 -9.565 253 H LEU 34 H LEU 34 -8.454 2.342 -8.186 254 HA LEU 34 HA LEU 34 -7.078 3.595 -5.993 255 1HB LEU 34 2HB LEU 34 -7.754 4.601 -8.761 256 2HB LEU 34 1HB LEU 34 -6.751 5.462 -7.607 257 HG LEU 34 HG LEU 34 -6.108 2.746 -8.759 258 1HD1 LEU 34 1HD1 LEU 34 -4.166 4.440 -9.624 259 2HD1 LEU 34 2HD1 LEU 34 -5.595 5.469 -9.709 260 3HD1 LEU 34 3HD1 LEU 34 -5.561 3.934 -10.576 261 1HD2 LEU 34 1HD2 LEU 34 -4.889 2.675 -6.862 262 2HD2 LEU 34 2HD2 LEU 34 -4.917 4.424 -6.648 263 3HD2 LEU 34 3HD2 LEU 34 -3.790 3.694 -7.791 264 H ARG 35 H ARG 35 -10.228 3.759 -7.451 265 HA ARG 35 HA ARG 35 -10.989 6.248 -6.257 266 1HB ARG 35 2HB ARG 35 -12.029 4.801 -8.271 267 2HB ARG 35 1HB ARG 35 -13.064 4.242 -6.964 268 1HG ARG 35 2HG ARG 35 -12.645 7.167 -7.381 269 2HG ARG 35 1HG ARG 35 -13.779 6.278 -8.399 270 1HD ARG 35 2HD ARG 35 -13.927 5.953 -5.440 271 2HD ARG 35 1HD ARG 35 -14.571 7.423 -6.170 272 HE ARG 35 HE ARG 35 -15.658 5.382 -7.631 273 1HH1 ARG 35 1HH1 ARG 35 -15.618 6.258 -4.254 274 2HH1 ARG 35 2HH1 ARG 35 -17.164 5.552 -3.923 275 1HH2 ARG 35 1HH2 ARG 35 -17.693 4.453 -7.199 276 2HH2 ARG 35 2HH2 ARG 35 -18.344 4.529 -5.596 277 H GLU 36 H GLU 36 -11.380 2.830 -5.475 278 HA GLU 36 HA GLU 36 -12.984 3.212 -3.169 279 1HB GLU 36 2HB GLU 36 -11.359 0.948 -4.270 280 2HB GLU 36 1HB GLU 36 -11.958 0.848 -2.620 281 1HG GLU 36 2HG GLU 36 -14.072 1.679 -4.360 282 2HG GLU 36 1HG GLU 36 -13.310 0.221 -4.996 283 H ALA 37 H ALA 37 -9.522 3.155 -3.759 284 HA ALA 37 HA ALA 37 -8.785 3.068 -0.995 285 1HB ALA 37 1HB ALA 37 -6.903 4.229 -2.965 286 2HB ALA 37 2HB ALA 37 -7.420 2.565 -3.243 287 3HB ALA 37 3HB ALA 37 -6.635 3.003 -1.725 288 H GLU 38 H GLU 38 -8.796 5.665 -3.444 289 HA GLU 38 HA GLU 38 -7.941 7.775 -1.931 290 1HB GLU 38 2HB GLU 38 -10.010 7.629 -4.100 291 2HB GLU 38 1HB GLU 38 -9.602 9.158 -3.334 292 1HG GLU 38 2HG GLU 38 -7.318 8.969 -4.052 293 2HG GLU 38 1HG GLU 38 -7.619 7.357 -4.700 294 H LYS 39 H LYS 39 -11.234 6.468 -2.084 295 HA LYS 39 HA LYS 39 -12.420 8.334 -0.352 296 1HB LYS 39 2HB LYS 39 -13.698 6.748 -1.755 297 2HB LYS 39 1HB LYS 39 -13.141 5.422 -0.743 298 1HG LYS 39 2HG LYS 39 -14.497 7.654 0.636 299 2HG LYS 39 1HG LYS 39 -15.494 6.637 -0.407 300 1HD LYS 39 2HD LYS 39 -14.880 4.671 0.811 301 2HD LYS 39 1HD LYS 39 -13.669 5.560 1.737 302 1HE LYS 39 2HE LYS 39 -15.340 5.598 3.270 303 2HE LYS 39 1HE LYS 39 -15.811 7.026 2.348 304 1HZ LYS 39 1HZ LYS 39 -17.066 5.112 0.988 305 2HZ LYS 39 2HZ LYS 39 -17.773 5.961 2.269 306 3HZ LYS 39 3HZ LYS 39 -17.100 4.432 2.537 307 H LYS 40 H LYS 40 -11.121 5.084 0.304 308 HA LYS 40 HA LYS 40 -11.438 5.172 3.091 309 1HB LYS 40 2HB LYS 40 -9.583 3.602 1.320 310 2HB LYS 40 1HB LYS 40 -9.625 3.390 3.064 311 1HG LYS 40 2HG LYS 40 -12.285 3.261 2.012 312 2HG LYS 40 1HG LYS 40 -11.234 2.145 1.138 313 1HD LYS 40 2HD LYS 40 -10.744 0.916 3.036 314 2HD LYS 40 1HD LYS 40 -11.135 2.249 4.124 315 1HE LYS 40 2HE LYS 40 -12.881 0.674 4.359 316 2HE LYS 40 1HE LYS 40 -13.533 1.988 3.380 317 1HZ LYS 40 1HZ LYS 40 -13.678 -0.620 2.741 318 2HZ LYS 40 2HZ LYS 40 -12.319 -0.141 1.856 319 3HZ LYS 40 3HZ LYS 40 -13.798 0.647 1.627 320 H ILE 41 H ILE 41 -9.072 6.615 1.016 321 HA ILE 41 HA ILE 41 -7.261 7.126 3.256 322 HB ILE 41 HB ILE 41 -6.945 7.834 0.342 323 1HG1 ILE 41 2HG1 ILE 41 -5.214 5.781 1.550 324 2HG1 ILE 41 1HG1 ILE 41 -6.907 5.321 1.415 325 1HG2 ILE 41 1HG2 ILE 41 -5.340 8.375 2.750 326 2HG2 ILE 41 2HG2 ILE 41 -5.417 9.242 1.216 327 3HG2 ILE 41 3HG2 ILE 41 -4.443 7.778 1.354 328 1HD1 ILE 41 1HD1 ILE 41 -6.175 4.592 -0.595 329 2HD1 ILE 41 2HD1 ILE 41 -4.893 5.799 -0.693 330 3HD1 ILE 41 3HD1 ILE 41 -6.561 6.253 -1.043 331 H LYS 42 H LYS 42 -9.827 8.648 1.615 332 HA LYS 42 HA LYS 42 -8.940 11.350 2.005 333 1HB LYS 42 2HB LYS 42 -11.003 10.064 0.574 334 2HB LYS 42 1HB LYS 42 -11.765 11.202 1.674 335 1HG LYS 42 2HG LYS 42 -9.493 11.994 -0.115 336 2HG LYS 42 1HG LYS 42 -11.175 12.045 -0.644 337 1HD LYS 42 2HD LYS 42 -11.732 13.717 0.871 338 2HD LYS 42 1HD LYS 42 -10.346 13.373 1.908 339 1HE LYS 42 2HE LYS 42 -8.892 14.553 0.587 340 2HE LYS 42 1HE LYS 42 -9.839 14.289 -0.877 341 1HZ LYS 42 1HZ LYS 42 -10.075 16.376 1.135 342 2HZ LYS 42 2HZ LYS 42 -11.530 15.776 0.517 343 3HZ LYS 42 3HZ LYS 42 -10.376 16.435 -0.529 344 H GLU 43 H GLU 43 -10.030 9.032 4.115 345 HA GLU 43 HA GLU 43 -10.814 11.087 6.047 346 1HB GLU 43 2HB GLU 43 -12.256 8.446 5.799 347 2HB GLU 43 1HB GLU 43 -12.665 9.788 6.859 348 1HG GLU 43 2HG GLU 43 -13.508 11.071 5.124 349 2HG GLU 43 1HG GLU 43 -12.643 10.151 3.893 350 H LEU 44 H LEU 44 -10.018 7.649 5.618 351 HA LEU 44 HA LEU 44 -9.094 7.361 8.316 352 1HB LEU 44 2HB LEU 44 -9.755 5.645 6.175 353 2HB LEU 44 1HB LEU 44 -8.076 5.323 6.565 354 HG LEU 44 HG LEU 44 -9.574 3.819 7.769 355 1HD1 LEU 44 1HD1 LEU 44 -7.567 4.187 8.909 356 2HD1 LEU 44 2HD1 LEU 44 -8.816 4.448 10.126 357 3HD1 LEU 44 3HD1 LEU 44 -8.023 5.828 9.367 358 1HD2 LEU 44 1HD2 LEU 44 -11.579 4.968 8.030 359 2HD2 LEU 44 2HD2 LEU 44 -10.787 6.391 8.708 360 3HD2 LEU 44 3HD2 LEU 44 -10.921 4.916 9.666 361 H PHE 45 H PHE 45 -7.239 8.142 9.036 362 HA PHE 45 HA PHE 45 -5.154 9.004 7.272 363 1HB PHE 45 2HB PHE 45 -5.784 10.062 9.508 364 2HB PHE 45 1HB PHE 45 -4.941 8.716 10.269 365 HD1 PHE 45 1HD PHE 45 -4.406 11.370 7.708 366 HD2 PHE 45 2HD PHE 45 -2.701 8.936 10.755 367 HE1 PHE 45 1HE PHE 45 -2.277 12.582 7.480 368 HE2 PHE 45 2HE PHE 45 -0.570 10.145 10.534 369 HZ PHE 45 HZ PHE 45 -0.355 11.971 8.895 370 H PHE 46 H PHE 46 -5.145 6.665 6.393 371 HA PHE 46 HA PHE 46 -3.987 4.563 7.802 372 1HB PHE 46 2HB PHE 46 -4.240 5.244 4.905 373 2HB PHE 46 1HB PHE 46 -3.204 3.899 5.375 374 HD1 PHE 46 1HD PHE 46 -6.461 4.832 4.488 375 HD2 PHE 46 2HD PHE 46 -4.311 2.184 7.033 376 HE1 PHE 46 1HE PHE 46 -8.432 3.365 4.622 377 HE2 PHE 46 2HE PHE 46 -6.278 0.711 7.170 378 HZ PHE 46 HZ PHE 46 -8.342 1.302 5.963 379 HA PRO 47 HA PRO 47 0.155 6.188 8.315 380 1HB PRO 47 2HB PRO 47 0.891 3.500 9.184 381 2HB PRO 47 1HB PRO 47 0.871 5.003 10.105 382 1HG PRO 47 2HG PRO 47 -0.895 2.959 10.486 383 2HG PRO 47 1HG PRO 47 -1.245 4.651 10.868 384 1HD PRO 47 2HD PRO 47 -2.158 2.995 8.577 385 2HD PRO 47 1HD PRO 47 -2.978 4.328 9.410 386 H VAL 48 H VAL 48 -0.212 2.847 7.124 387 HA VAL 48 HA VAL 48 1.917 3.399 5.166 388 HB VAL 48 HB VAL 48 1.129 0.712 6.283 389 1HG1 VAL 48 1HG1 VAL 48 2.918 1.585 4.145 390 2HG1 VAL 48 2HG1 VAL 48 2.209 0.000 4.458 391 3HG1 VAL 48 3HG1 VAL 48 3.671 0.494 5.310 392 1HG2 VAL 48 1HG2 VAL 48 2.071 1.902 8.085 393 2HG2 VAL 48 2HG2 VAL 48 3.322 2.608 7.063 394 3HG2 VAL 48 3HG2 VAL 48 3.365 0.887 7.447 395 H ILE 49 H ILE 49 1.391 3.316 3.089 396 HA ILE 49 HA ILE 49 -1.150 2.017 2.343 397 HB ILE 49 HB ILE 49 0.212 4.164 0.730 398 1HG1 ILE 49 2HG1 ILE 49 -0.248 5.108 2.935 399 2HG1 ILE 49 1HG1 ILE 49 -1.359 5.775 1.743 400 1HG2 ILE 49 1HG2 ILE 49 -2.317 2.660 0.597 401 2HG2 ILE 49 2HG2 ILE 49 -1.338 3.357 -0.694 402 3HG2 ILE 49 3HG2 ILE 49 -2.426 4.384 0.239 403 1HD1 ILE 49 1HD1 ILE 49 -2.306 5.116 4.007 404 2HD1 ILE 49 2HD1 ILE 49 -2.113 3.448 3.470 405 3HD1 ILE 49 3HD1 ILE 49 -3.162 4.546 2.574 406 H VAL 50 H VAL 50 -1.072 0.349 0.985 407 HA VAL 50 HA VAL 50 1.361 -0.031 -0.637 408 HB VAL 50 HB VAL 50 -0.255 -2.196 0.719 409 1HG1 VAL 50 1HG1 VAL 50 2.260 -3.090 -0.299 410 2HG1 VAL 50 2HG1 VAL 50 1.354 -2.321 -1.601 411 3HG1 VAL 50 3HG1 VAL 50 0.640 -3.656 -0.698 412 1HG2 VAL 50 1HG2 VAL 50 2.461 -2.271 1.462 413 2HG2 VAL 50 2HG2 VAL 50 1.071 -1.869 2.468 414 3HG2 VAL 50 3HG2 VAL 50 1.939 -0.594 1.614 415 H LEU 51 H LEU 51 0.750 0.453 -2.638 416 HA LEU 51 HA LEU 51 -1.895 -0.324 -3.591 417 1HB LEU 51 2HB LEU 51 -1.265 1.922 -4.113 418 2HB LEU 51 1HB LEU 51 0.271 1.402 -4.778 419 HG LEU 51 HG LEU 51 -1.357 0.073 -6.443 420 1HD1 LEU 51 1HD1 LEU 51 -3.235 1.606 -7.033 421 2HD1 LEU 51 2HD1 LEU 51 -2.938 2.459 -5.518 422 3HD1 LEU 51 3HD1 LEU 51 -3.427 0.765 -5.495 423 1HD2 LEU 51 1HD2 LEU 51 0.403 1.607 -7.113 424 2HD2 LEU 51 2HD2 LEU 51 -0.618 2.983 -6.696 425 3HD2 LEU 51 3HD2 LEU 51 -1.075 1.915 -8.023 426 H ASP 52 H ASP 52 -2.284 -1.626 -5.320 427 HA ASP 52 HA ASP 52 -0.050 -3.333 -6.186 428 1HB ASP 52 2HB ASP 52 -2.163 -4.273 -4.916 429 2HB ASP 52 1HB ASP 52 -2.919 -4.144 -6.501 430 H VAL 53 H VAL 53 -0.774 -4.381 -8.469 431 HA VAL 53 HA VAL 53 -2.069 -2.401 -10.148 432 HB VAL 53 HB VAL 53 -0.252 -2.013 -11.636 433 1HG1 VAL 53 1HG1 VAL 53 -0.307 -0.672 -9.571 434 2HG1 VAL 53 2HG1 VAL 53 1.321 -0.849 -10.225 435 3HG1 VAL 53 3HG1 VAL 53 0.823 -1.805 -8.830 436 1HG2 VAL 53 1HG2 VAL 53 1.752 -3.135 -11.728 437 2HG2 VAL 53 2HG2 VAL 53 0.691 -4.436 -11.199 438 3HG2 VAL 53 3HG2 VAL 53 1.699 -3.591 -10.029 439 H TRP 54 H TRP 54 -2.947 -4.925 -9.499 440 HA TRP 54 HA TRP 54 -2.272 -7.052 -11.108 441 1HB TRP 54 2HB TRP 54 -3.857 -7.383 -9.363 442 2HB TRP 54 1HB TRP 54 -4.951 -6.176 -10.027 443 HD1 TRP 54 HD TRP 54 -6.912 -7.118 -11.375 444 HE1 TRP 54 1HE TRP 54 -7.454 -9.360 -12.519 445 HE3 TRP 54 3HE TRP 54 -2.450 -9.495 -10.648 446 HZ2 TRP 54 2HZ TRP 54 -6.158 -11.814 -13.043 447 HZ3 TRP 54 3HZ TRP 54 -2.180 -11.790 -11.500 448 HH2 TRP 54 HH TRP 54 -3.998 -12.924 -12.672 449 H MET 55 H MET 55 -5.383 -5.618 -11.899 450 HA MET 55 HA MET 55 -4.503 -4.906 -14.575 451 1HB MET 55 2HB MET 55 -5.193 -7.421 -14.411 452 2HB MET 55 1HB MET 55 -6.831 -6.784 -14.369 453 1HG MET 55 2HG MET 55 -6.428 -5.643 -16.502 454 2HG MET 55 1HG MET 55 -4.805 -6.328 -16.547 455 1HE MET 55 1HE MET 55 -8.417 -6.662 -17.411 456 2HE MET 55 2HE MET 55 -8.573 -7.635 -15.948 457 3HE MET 55 3HE MET 55 -8.751 -8.390 -17.532 458 HA PRO 56 HA PRO 56 -8.154 -2.521 -12.739 459 1HB PRO 56 2HB PRO 56 -6.911 -0.260 -11.975 460 2HB PRO 56 1HB PRO 56 -7.009 -1.675 -10.919 461 1HG PRO 56 2HG PRO 56 -4.739 -0.746 -12.635 462 2HG PRO 56 1HG PRO 56 -4.704 -1.366 -10.975 463 1HD PRO 56 2HD PRO 56 -4.095 -2.884 -13.162 464 2HD PRO 56 1HD PRO 56 -4.764 -3.554 -11.661 465 H ASP 57 H ASP 57 -8.408 0.088 -13.252 466 HA ASP 57 HA ASP 57 -7.415 0.645 -15.936 467 1HB ASP 57 2HB ASP 57 -10.370 0.607 -15.286 468 2HB ASP 57 1HB ASP 57 -9.652 1.093 -16.820 469 H GLY 58 H GLY 58 -6.762 1.858 -13.489 470 1HA GLY 58 2HA GLY 58 -7.791 4.564 -14.002 471 2HA GLY 58 1HA GLY 58 -7.825 3.932 -12.363 472 H ASP 59 H ASP 59 -5.185 2.996 -14.377 473 HA ASP 59 HA ASP 59 -2.957 3.450 -14.309 474 1HB ASP 59 2HB ASP 59 -3.695 6.203 -13.310 475 2HB ASP 59 1HB ASP 59 -2.260 5.732 -14.215 476 H GLY 60 H GLY 60 -1.499 5.133 -12.501 477 1HA GLY 60 2HA GLY 60 -2.231 4.509 -9.806 478 2HA GLY 60 1HA GLY 60 -0.978 3.437 -10.405 479 H VAL 61 H VAL 61 0.402 5.328 -12.029 480 HA VAL 61 HA VAL 61 2.188 6.421 -10.204 481 HB VAL 61 HB VAL 61 1.682 7.396 -13.020 482 1HG1 VAL 61 1HG1 VAL 61 4.328 7.361 -11.645 483 2HG1 VAL 61 2HG1 VAL 61 3.192 8.675 -11.343 484 3HG1 VAL 61 3HG1 VAL 61 3.769 8.368 -12.980 485 1HG2 VAL 61 1HG2 VAL 61 3.871 5.501 -12.553 486 2HG2 VAL 61 2HG2 VAL 61 2.708 5.589 -13.874 487 3HG2 VAL 61 3HG2 VAL 61 2.258 4.823 -12.351 488 H ASN 62 H ASN 62 -0.552 7.892 -11.888 489 HA ASN 62 HA ASN 62 -0.129 10.516 -10.916 490 1HB ASN 62 2HB ASN 62 -1.745 10.975 -12.394 491 2HB ASN 62 1HB ASN 62 -1.851 9.256 -12.737 492 1HD2 ASN 62 1HD2 ASN 62 -3.669 8.209 -12.257 493 2HD2 ASN 62 2HD2 ASN 62 -5.004 8.879 -11.389 494 H PHE 63 H PHE 63 -1.432 7.675 -9.501 495 HA PHE 63 HA PHE 63 -3.045 9.022 -7.533 496 1HB PHE 63 2HB PHE 63 -3.684 6.793 -8.265 497 2HB PHE 63 1HB PHE 63 -2.134 6.145 -7.742 498 HD1 PHE 63 1HD PHE 63 -4.741 8.315 -6.181 499 HD2 PHE 63 2HD PHE 63 -2.327 4.822 -5.884 500 HE1 PHE 63 1HE PHE 63 -5.685 7.856 -3.957 501 HE2 PHE 63 2HE PHE 63 -3.270 4.357 -3.659 502 HZ PHE 63 HZ PHE 63 -4.952 5.875 -2.694 503 H ILE 64 H ILE 64 0.205 7.720 -7.732 504 HA ILE 64 HA ILE 64 0.957 7.490 -5.109 505 HB ILE 64 HB ILE 64 2.781 8.900 -7.036 506 1HG1 ILE 64 2HG1 ILE 64 1.941 7.170 -8.422 507 2HG1 ILE 64 1HG1 ILE 64 3.459 6.559 -7.786 508 1HG2 ILE 64 1HG2 ILE 64 4.511 7.961 -5.822 509 2HG2 ILE 64 2HG2 ILE 64 3.497 6.671 -5.177 510 3HG2 ILE 64 3HG2 ILE 64 3.315 8.318 -4.576 511 1HD1 ILE 64 1HD1 ILE 64 0.753 5.876 -6.672 512 2HD1 ILE 64 2HD1 ILE 64 2.304 5.166 -6.222 513 3HD1 ILE 64 3HD1 ILE 64 1.643 4.891 -7.834 514 H ASP 65 H ASP 65 0.297 10.418 -6.881 515 HA ASP 65 HA ASP 65 1.495 12.179 -4.967 516 1HB ASP 65 2HB ASP 65 0.283 12.413 -7.551 517 2HB ASP 65 1HB ASP 65 -0.498 13.555 -6.463 518 H PHE 66 H PHE 66 -1.873 11.200 -5.689 519 HA PHE 66 HA PHE 66 -3.216 12.771 -3.884 520 1HB PHE 66 2HB PHE 66 -4.405 11.371 -5.444 521 2HB PHE 66 1HB PHE 66 -3.734 9.912 -4.726 522 HD1 PHE 66 1HD PHE 66 -4.395 9.352 -2.337 523 HD2 PHE 66 2HD PHE 66 -6.427 12.248 -4.700 524 HE1 PHE 66 1HE PHE 66 -6.353 9.178 -0.860 525 HE2 PHE 66 2HE PHE 66 -8.391 12.078 -3.227 526 HZ PHE 66 HZ PHE 66 -8.355 10.541 -1.303 527 H ILE 67 H ILE 67 -1.556 9.697 -3.293 528 HA ILE 67 HA ILE 67 -2.330 9.357 -0.618 529 HB ILE 67 HB ILE 67 0.193 8.460 -2.026 530 1HG1 ILE 67 2HG1 ILE 67 -1.303 6.233 -1.575 531 2HG1 ILE 67 1HG1 ILE 67 -2.567 7.435 -1.818 532 1HG2 ILE 67 1HG2 ILE 67 0.820 8.291 0.192 533 2HG2 ILE 67 2HG2 ILE 67 0.106 6.706 -0.105 534 3HG2 ILE 67 3HG2 ILE 67 -0.820 7.946 0.739 535 1HD1 ILE 67 1HD1 ILE 67 -0.565 7.740 -3.831 536 2HD1 ILE 67 2HD1 ILE 67 -2.275 7.346 -4.004 537 3HD1 ILE 67 3HD1 ILE 67 -1.093 6.059 -3.761 538 H LYS 68 H LYS 68 0.448 11.031 -2.053 539 HA LYS 68 HA LYS 68 1.456 11.856 0.515 540 1HB LYS 68 2HB LYS 68 3.275 12.754 -0.629 541 2HB LYS 68 1HB LYS 68 2.810 11.386 -1.628 542 1HG LYS 68 2HG LYS 68 2.666 12.730 -3.366 543 2HG LYS 68 1HG LYS 68 1.366 13.612 -2.568 544 1HD LYS 68 2HD LYS 68 2.797 15.236 -1.743 545 2HD LYS 68 1HD LYS 68 4.215 14.193 -1.875 546 1HE LYS 68 2HE LYS 68 4.589 14.766 -4.018 547 2HE LYS 68 1HE LYS 68 2.872 14.766 -4.421 548 1HZ LYS 68 1HZ LYS 68 3.221 16.971 -4.555 549 2HZ LYS 68 2HZ LYS 68 4.569 16.951 -3.532 550 3HZ LYS 68 3HZ LYS 68 3.010 16.922 -2.878 551 H GLU 69 H GLU 69 -0.868 12.995 -1.692 552 HA GLU 69 HA GLU 69 -0.685 15.777 -1.159 553 1HB GLU 69 2HB GLU 69 -1.788 14.719 -3.159 554 2HB GLU 69 1HB GLU 69 -3.110 14.263 -2.098 555 1HG GLU 69 2HG GLU 69 -3.693 16.518 -1.694 556 2HG GLU 69 1HG GLU 69 -2.208 17.104 -2.443 557 H ASN 70 H ASN 70 -2.758 13.189 0.068 558 HA ASN 70 HA ASN 70 -3.614 14.984 2.238 559 1HB ASN 70 2HB ASN 70 -5.364 12.856 2.317 560 2HB ASN 70 1HB ASN 70 -5.677 14.407 1.545 561 1HD2 ASN 70 1HD2 ASN 70 -4.619 14.498 -0.743 562 2HD2 ASN 70 2HD2 ASN 70 -4.952 13.139 -1.752 563 H SER 71 H SER 71 -1.346 12.791 1.756 564 HA SER 71 HA SER 71 -1.298 11.993 4.530 565 1HB SER 71 2HB SER 71 -2.139 10.156 2.430 566 2HB SER 71 1HB SER 71 -0.729 9.559 3.303 567 HG SER 71 HG SER 71 -2.541 8.890 4.402 568 HA PRO 72 HA PRO 72 2.812 12.731 2.449 569 1HB PRO 72 2HB PRO 72 3.240 14.872 4.356 570 2HB PRO 72 1HB PRO 72 3.194 14.957 2.594 571 1HG PRO 72 2HG PRO 72 1.283 16.047 4.208 572 2HG PRO 72 1HG PRO 72 0.972 15.497 2.553 573 1HD PRO 72 2HD PRO 72 0.374 14.136 5.149 574 2HD PRO 72 1HD PRO 72 -0.600 14.217 3.666 575 H ASP 73 H ASP 73 1.645 12.223 5.602 576 HA ASP 73 HA ASP 73 4.292 11.592 6.662 577 1HB ASP 73 2HB ASP 73 2.662 12.975 7.995 578 2HB ASP 73 1HB ASP 73 1.665 11.530 8.140 579 H SER 74 H SER 74 1.760 10.062 5.114 580 HA SER 74 HA SER 74 1.917 7.534 6.484 581 1HB SER 74 2HB SER 74 -0.174 8.244 5.403 582 2HB SER 74 1HB SER 74 0.637 8.253 3.837 583 HG SER 74 HG SER 74 -0.634 6.279 4.701 584 H VAL 75 H VAL 75 2.061 5.615 4.630 585 HA VAL 75 HA VAL 75 4.682 6.031 3.349 586 HB VAL 75 HB VAL 75 3.681 3.418 4.494 587 1HG1 VAL 75 1HG1 VAL 75 6.178 4.278 3.091 588 2HG1 VAL 75 2HG1 VAL 75 5.191 2.838 2.840 589 3HG1 VAL 75 3HG1 VAL 75 6.230 2.959 4.260 590 1HG2 VAL 75 1HG2 VAL 75 4.296 5.399 6.093 591 2HG2 VAL 75 2HG2 VAL 75 5.951 4.962 5.664 592 3HG2 VAL 75 3HG2 VAL 75 4.891 3.771 6.419 593 H VAL 76 H VAL 76 5.109 4.751 1.479 594 HA VAL 76 HA VAL 76 2.789 3.609 0.112 595 HB VAL 76 HB VAL 76 4.480 5.396 -1.553 596 1HG1 VAL 76 1HG1 VAL 76 2.404 3.825 -2.123 597 2HG1 VAL 76 2HG1 VAL 76 2.742 5.316 -3.002 598 3HG1 VAL 76 3HG1 VAL 76 1.530 5.304 -1.721 599 1HG2 VAL 76 1HG2 VAL 76 2.249 6.457 0.177 600 2HG2 VAL 76 2HG2 VAL 76 3.163 7.361 -1.031 601 3HG2 VAL 76 3HG2 VAL 76 3.966 6.774 0.426 602 H ILE 77 H ILE 77 3.782 1.598 0.309 603 HA ILE 77 HA ILE 77 6.449 1.167 -0.698 604 HB ILE 77 HB ILE 77 4.410 -0.942 0.002 605 1HG1 ILE 77 2HG1 ILE 77 4.712 0.664 1.869 606 2HG1 ILE 77 1HG1 ILE 77 5.319 -0.942 2.255 607 1HG2 ILE 77 1HG2 ILE 77 6.151 -2.020 -1.070 608 2HG2 ILE 77 2HG2 ILE 77 6.638 -2.119 0.622 609 3HG2 ILE 77 3HG2 ILE 77 7.365 -0.910 -0.435 610 1HD1 ILE 77 1HD1 ILE 77 7.530 0.325 1.229 611 2HD1 ILE 77 2HD1 ILE 77 7.160 0.094 2.938 612 3HD1 ILE 77 3HD1 ILE 77 6.712 1.599 2.134 613 H VAL 78 H VAL 78 3.150 0.346 -1.733 614 HA VAL 78 HA VAL 78 2.299 -0.342 -3.735 615 HB VAL 78 HB VAL 78 4.687 1.155 -4.843 616 1HG1 VAL 78 1HG1 VAL 78 2.070 0.435 -6.166 617 2HG1 VAL 78 2HG1 VAL 78 3.617 -0.350 -6.477 618 3HG1 VAL 78 3HG1 VAL 78 3.393 1.349 -6.889 619 1HG2 VAL 78 1HG2 VAL 78 2.092 2.014 -3.720 620 2HG2 VAL 78 2HG2 VAL 78 2.612 2.814 -5.204 621 3HG2 VAL 78 3HG2 VAL 78 3.643 2.853 -3.774 622 H ILE 79 H ILE 79 2.448 -2.527 -3.801 623 HA ILE 79 HA ILE 79 4.828 -3.654 -5.117 624 HB ILE 79 HB ILE 79 3.386 -5.152 -2.952 625 1HG1 ILE 79 2HG1 ILE 79 5.892 -3.519 -2.552 626 2HG1 ILE 79 1HG1 ILE 79 4.288 -2.976 -2.072 627 1HG2 ILE 79 1HG2 ILE 79 5.499 -6.407 -2.861 628 2HG2 ILE 79 2HG2 ILE 79 6.134 -5.404 -4.164 629 3HG2 ILE 79 3HG2 ILE 79 4.754 -6.462 -4.459 630 1HD1 ILE 79 1HD1 ILE 79 4.100 -4.636 -0.432 631 2HD1 ILE 79 2HD1 ILE 79 5.740 -4.006 -0.277 632 3HD1 ILE 79 3HD1 ILE 79 5.462 -5.549 -1.083 633 H THR 80 H THR 80 4.488 -5.391 -6.474 634 HA THR 80 HA THR 80 2.002 -6.756 -6.685 635 HB THR 80 HB THR 80 2.640 -4.906 -8.986 636 HG1 THR 80 1HG THR 80 1.663 -3.430 -7.897 637 1HG2 THR 80 1HG2 THR 80 0.277 -6.657 -8.374 638 2HG2 THR 80 2HG2 THR 80 1.390 -6.784 -9.735 639 3HG2 THR 80 3HG2 THR 80 0.290 -5.413 -9.622 640 H GLY 81 H GLY 81 1.982 -8.275 -8.552 641 1HA GLY 81 2HA GLY 81 4.744 -8.964 -9.348 642 2HA GLY 81 1HA GLY 81 3.543 -10.171 -8.913 643 H HIS 82 H HIS 82 2.911 -7.321 -10.870 644 HA HIS 82 HA HIS 82 3.028 -8.789 -13.351 645 1HB HIS 82 2HB HIS 82 0.483 -8.334 -11.927 646 2HB HIS 82 1HB HIS 82 0.475 -7.893 -13.630 647 HD1 HIS 82 1HD HIS 82 1.810 -10.030 -15.075 648 HD2 HIS 82 2HD HIS 82 -0.436 -10.850 -11.676 649 HE1 HIS 82 1HE HIS 82 1.196 -12.463 -15.246 650 HE2 HIS 82 2HE HIS 82 -0.242 -12.911 -13.225 651 H GLY 83 H GLY 83 4.280 -7.282 -14.317 652 1HA GLY 83 2HA GLY 83 3.243 -5.054 -15.533 653 2HA GLY 83 1HA GLY 83 3.851 -4.468 -13.992 654 H SER 84 H SER 84 5.917 -3.873 -13.898 655 HA SER 84 HA SER 84 8.035 -5.181 -15.214 656 1HB SER 84 2HB SER 84 7.006 -4.150 -17.220 657 2HB SER 84 1HB SER 84 7.208 -2.560 -16.484 658 HG SER 84 HG SER 84 9.202 -4.364 -17.355 659 H VAL 85 H VAL 85 10.091 -4.223 -14.774 660 HA VAL 85 HA VAL 85 10.304 -3.022 -12.266 661 HB VAL 85 HB VAL 85 12.131 -4.295 -13.302 662 1HG1 VAL 85 1HG1 VAL 85 12.238 -1.945 -15.173 663 2HG1 VAL 85 2HG1 VAL 85 12.073 -3.656 -15.568 664 3HG1 VAL 85 3HG1 VAL 85 13.603 -3.039 -14.944 665 1HG2 VAL 85 1HG2 VAL 85 13.438 -1.683 -12.929 666 2HG2 VAL 85 2HG2 VAL 85 13.707 -3.218 -12.102 667 3HG2 VAL 85 3HG2 VAL 85 12.358 -2.185 -11.628 668 H ASP 86 H ASP 86 9.889 -1.615 -15.412 669 HA ASP 86 HA ASP 86 10.824 0.993 -14.791 670 1HB ASP 86 2HB ASP 86 8.815 0.174 -16.902 671 2HB ASP 86 1HB ASP 86 9.733 1.677 -16.858 672 H THR 87 H THR 87 8.050 -0.693 -13.808 673 HA THR 87 HA THR 87 6.360 1.644 -13.561 674 HB THR 87 HB THR 87 5.666 -0.888 -13.886 675 HG1 THR 87 1HG THR 87 4.232 0.767 -12.091 676 1HG2 THR 87 1HG2 THR 87 6.745 -1.497 -11.634 677 2HG2 THR 87 2HG2 THR 87 5.135 -2.119 -11.996 678 3HG2 THR 87 3HG2 THR 87 5.325 -0.735 -10.919 679 H ALA 88 H ALA 88 8.463 -0.311 -11.569 680 HA ALA 88 HA ALA 88 7.781 0.673 -9.040 681 1HB ALA 88 1HB ALA 88 10.205 0.082 -8.494 682 2HB ALA 88 2HB ALA 88 10.337 -0.426 -10.176 683 3HB ALA 88 3HB ALA 88 9.182 -1.218 -9.105 684 H VAL 89 H VAL 89 10.438 1.643 -11.175 685 HA VAL 89 HA VAL 89 11.274 3.864 -9.708 686 HB VAL 89 HB VAL 89 12.440 4.594 -11.707 687 1HG1 VAL 89 1HG1 VAL 89 12.955 2.346 -10.398 688 2HG1 VAL 89 2HG1 VAL 89 13.902 2.848 -11.799 689 3HG1 VAL 89 3HG1 VAL 89 12.626 1.644 -11.983 690 1HG2 VAL 89 1HG2 VAL 89 11.996 2.914 -13.751 691 2HG2 VAL 89 2HG2 VAL 89 11.161 4.457 -13.573 692 3HG2 VAL 89 3HG2 VAL 89 10.375 2.966 -13.057 693 H LYS 90 H LYS 90 8.563 3.438 -11.824 694 HA LYS 90 HA LYS 90 8.114 6.299 -12.114 695 1HB LYS 90 2HB LYS 90 7.676 4.631 -13.959 696 2HB LYS 90 1HB LYS 90 6.321 4.046 -13.006 697 1HG LYS 90 2HG LYS 90 5.432 6.411 -13.054 698 2HG LYS 90 1HG LYS 90 6.669 6.749 -14.264 699 1HD LYS 90 2HD LYS 90 4.841 4.414 -14.629 700 2HD LYS 90 1HD LYS 90 4.268 6.040 -15.006 701 1HE LYS 90 2HE LYS 90 6.702 6.013 -16.232 702 2HE LYS 90 1HE LYS 90 6.190 4.336 -16.422 703 1HZ LYS 90 1HZ LYS 90 5.492 6.286 -18.088 704 2HZ LYS 90 2HZ LYS 90 4.181 6.344 -17.021 705 3HZ LYS 90 3HZ LYS 90 4.551 4.904 -17.830 706 H ALA 91 H ALA 91 8.117 5.400 -9.462 707 HA ALA 91 HA ALA 91 5.649 6.439 -8.538 708 1HB ALA 91 1HB ALA 91 4.461 4.625 -7.899 709 2HB ALA 91 2HB ALA 91 5.903 3.674 -7.539 710 3HB ALA 91 3HB ALA 91 5.356 3.850 -9.206 711 H ILE 92 H ILE 92 8.465 4.442 -7.772 712 HA ILE 92 HA ILE 92 8.535 5.143 -5.017 713 HB ILE 92 HB ILE 92 10.558 3.962 -4.857 714 1HG1 ILE 92 2HG1 ILE 92 10.861 4.245 -7.855 715 2HG1 ILE 92 1HG1 ILE 92 11.810 5.090 -6.637 716 1HG2 ILE 92 1HG2 ILE 92 10.053 2.025 -6.685 717 2HG2 ILE 92 2HG2 ILE 92 8.504 2.862 -6.645 718 3HG2 ILE 92 3HG2 ILE 92 9.189 2.207 -5.160 719 1HD1 ILE 92 1HD1 ILE 92 12.871 3.093 -5.952 720 2HD1 ILE 92 2HD1 ILE 92 12.919 3.116 -7.715 721 3HD1 ILE 92 3HD1 ILE 92 11.748 2.097 -6.879 722 H LYS 93 H LYS 93 9.794 6.581 -7.916 723 HA LYS 93 HA LYS 93 11.497 8.409 -6.412 724 1HB LYS 93 2HB LYS 93 11.191 7.660 -9.271 725 2HB LYS 93 1HB LYS 93 11.727 9.299 -8.930 726 1HG LYS 93 2HG LYS 93 13.774 8.428 -8.878 727 2HG LYS 93 1HG LYS 93 13.327 7.820 -7.283 728 1HD LYS 93 2HD LYS 93 12.489 5.745 -8.395 729 2HD LYS 93 1HD LYS 93 13.153 6.354 -9.912 730 1HE LYS 93 2HE LYS 93 14.947 6.254 -7.547 731 2HE LYS 93 1HE LYS 93 14.522 4.728 -8.323 732 1HZ LYS 93 1HZ LYS 93 16.589 6.011 -9.122 733 2HZ LYS 93 2HZ LYS 93 15.484 6.994 -9.942 734 3HZ LYS 93 3HZ LYS 93 15.554 5.336 -10.277 735 H LYS 94 H LYS 94 8.442 8.368 -6.416 736 HA LYS 94 HA LYS 94 8.085 11.208 -7.083 737 1HB LYS 94 2HB LYS 94 6.854 9.288 -8.443 738 2HB LYS 94 1HB LYS 94 5.728 9.414 -7.098 739 1HG LYS 94 2HG LYS 94 4.894 10.843 -8.760 740 2HG LYS 94 1HG LYS 94 5.659 11.901 -7.572 741 1HD LYS 94 2HD LYS 94 7.718 11.329 -9.304 742 2HD LYS 94 1HD LYS 94 6.321 11.440 -10.377 743 1HE LYS 94 2HE LYS 94 5.977 13.655 -9.926 744 2HE LYS 94 1HE LYS 94 6.659 13.541 -8.304 745 1HZ LYS 94 1HZ LYS 94 8.354 14.618 -9.301 746 2HZ LYS 94 2HZ LYS 94 7.988 14.035 -10.846 747 3HZ LYS 94 3HZ LYS 94 8.821 13.054 -9.749 748 H GLY 95 H GLY 95 8.311 9.082 -4.585 749 1HA GLY 95 2HA GLY 95 7.972 10.388 -2.422 750 2HA GLY 95 1HA GLY 95 6.308 10.516 -2.965 751 H ALA 96 H ALA 96 7.693 7.512 -3.789 752 HA ALA 96 HA ALA 96 6.082 6.233 -1.733 753 1HB ALA 96 1HB ALA 96 5.770 4.585 -3.200 754 2HB ALA 96 2HB ALA 96 7.502 4.410 -3.487 755 3HB ALA 96 3HB ALA 96 6.576 5.614 -4.382 756 H TYR 97 H TYR 97 7.347 3.843 -1.358 757 HA TYR 97 HA TYR 97 9.812 4.641 0.046 758 1HB TYR 97 2HB TYR 97 7.742 3.979 1.404 759 2HB TYR 97 1HB TYR 97 8.049 2.339 0.842 760 HD1 TYR 97 1HD TYR 97 9.272 0.975 2.231 761 HD2 TYR 97 2HD TYR 97 9.933 5.174 2.393 762 HE1 TYR 97 1HE TYR 97 10.878 0.645 4.065 763 HE2 TYR 97 2HE TYR 97 11.541 4.856 4.226 764 HH TYR 97 HH TYR 97 12.719 1.754 5.122 765 H GLU 98 H GLU 98 9.497 3.591 -2.686 766 HA GLU 98 HA GLU 98 10.799 2.308 -4.055 767 1HB GLU 98 2HB GLU 98 12.735 1.419 -3.301 768 2HB GLU 98 1HB GLU 98 12.338 2.322 -1.851 769 1HG GLU 98 2HG GLU 98 12.766 0.346 -0.865 770 2HG GLU 98 1HG GLU 98 11.087 0.020 -1.285 771 H PHE 99 H PHE 99 10.404 0.464 -5.177 772 HA PHE 99 HA PHE 99 8.063 -0.984 -4.524 773 1HB PHE 99 2HB PHE 99 9.846 -0.724 -6.766 774 2HB PHE 99 1HB PHE 99 9.490 -2.423 -6.489 775 HD1 PHE 99 1HD PHE 99 7.905 -3.147 -7.984 776 HD2 PHE 99 2HD PHE 99 7.454 0.689 -6.195 777 HE1 PHE 99 1HE PHE 99 5.747 -2.869 -9.134 778 HE2 PHE 99 2HE PHE 99 5.296 0.974 -7.343 779 HZ PHE 99 HZ PHE 99 4.440 -0.806 -8.813 780 H LEU 100 H LEU 100 7.780 -2.814 -3.422 781 HA LEU 100 HA LEU 100 9.939 -4.018 -2.015 782 1HB LEU 100 2HB LEU 100 7.429 -3.791 -1.381 783 2HB LEU 100 1HB LEU 100 7.223 -5.250 -2.330 784 HG LEU 100 HG LEU 100 7.401 -5.940 -0.081 785 1HD1 LEU 100 1HD1 LEU 100 8.856 -7.076 -1.878 786 2HD1 LEU 100 2HD1 LEU 100 9.130 -7.467 -0.181 787 3HD1 LEU 100 3HD1 LEU 100 10.209 -6.347 -1.011 788 1HD2 LEU 100 1HD2 LEU 100 9.774 -4.099 0.079 789 2HD2 LEU 100 2HD2 LEU 100 9.398 -5.310 1.306 790 3HD2 LEU 100 3HD2 LEU 100 8.261 -4.002 0.980 791 H GLU 101 H GLU 101 11.402 -5.180 -3.116 792 HA GLU 101 HA GLU 101 10.705 -6.719 -5.439 793 1HB GLU 101 2HB GLU 101 13.180 -5.980 -4.009 794 2HB GLU 101 1HB GLU 101 13.226 -7.531 -4.836 795 1HG GLU 101 2HG GLU 101 12.820 -6.543 -6.932 796 2HG GLU 101 1HG GLU 101 12.347 -5.010 -6.203 797 H LYS 102 H LYS 102 9.049 -7.951 -4.123 798 HA LYS 102 HA LYS 102 9.876 -10.592 -3.784 799 1HB LYS 102 2HB LYS 102 10.190 -8.916 -1.422 800 2HB LYS 102 1HB LYS 102 9.134 -10.290 -1.122 801 1HG LYS 102 2HG LYS 102 11.382 -11.235 -2.562 802 2HG LYS 102 1HG LYS 102 11.969 -10.214 -1.248 803 1HD LYS 102 2HD LYS 102 11.772 -12.534 -0.526 804 2HD LYS 102 1HD LYS 102 10.635 -11.508 0.348 805 1HE LYS 102 2HE LYS 102 9.638 -12.743 -2.141 806 2HE LYS 102 1HE LYS 102 9.957 -13.843 -0.801 807 1HZ LYS 102 1HZ LYS 102 7.968 -13.265 -0.041 808 2HZ LYS 102 2HZ LYS 102 7.814 -11.997 -1.148 809 3HZ LYS 102 3HZ LYS 102 8.605 -11.741 0.324 810 HA PRO 103 HA PRO 103 5.284 -9.569 -3.937 811 1HB PRO 103 2HB PRO 103 4.800 -10.360 -6.471 812 2HB PRO 103 1HB PRO 103 5.351 -8.726 -6.082 813 1HG PRO 103 2HG PRO 103 6.927 -11.070 -7.078 814 2HG PRO 103 1HG PRO 103 7.009 -9.372 -7.582 815 1HD PRO 103 2HD PRO 103 8.787 -10.494 -5.856 816 2HD PRO 103 1HD PRO 103 8.338 -8.778 -5.803 817 H PHE 104 H PHE 104 3.503 -11.163 -4.618 818 HA PHE 104 HA PHE 104 2.516 -13.191 -4.326 819 1HB PHE 104 2HB PHE 104 5.161 -14.307 -5.278 820 2HB PHE 104 1HB PHE 104 3.606 -15.133 -5.295 821 HD1 PHE 104 1HD PHE 104 5.746 -12.721 -6.958 822 HD2 PHE 104 2HD PHE 104 1.865 -14.464 -6.885 823 HE1 PHE 104 1HE PHE 104 5.324 -11.865 -9.226 824 HE2 PHE 104 2HE PHE 104 1.435 -13.613 -9.153 825 HZ PHE 104 HZ PHE 104 3.166 -12.312 -10.326 826 H SER 105 H SER 105 3.740 -12.026 -2.056 827 HA SER 105 HA SER 105 3.573 -14.031 -0.182 828 1HB SER 105 2HB SER 105 6.185 -14.017 0.376 829 2HB SER 105 1HB SER 105 5.467 -15.210 -0.706 830 HG SER 105 HG SER 105 6.582 -14.397 -2.283 831 H VAL 106 H VAL 106 4.993 -10.994 -1.122 832 HA VAL 106 HA VAL 106 5.621 -9.130 0.045 833 HB VAL 106 HB VAL 106 3.859 -8.062 1.168 834 1HG1 VAL 106 1HG1 VAL 106 2.839 -10.005 -0.877 835 2HG1 VAL 106 2HG1 VAL 106 3.256 -8.303 -1.081 836 3HG1 VAL 106 3HG1 VAL 106 1.813 -8.755 -0.174 837 1HG2 VAL 106 1HG2 VAL 106 1.796 -9.603 1.801 838 2HG2 VAL 106 2HG2 VAL 106 3.112 -9.287 2.931 839 3HG2 VAL 106 3HG2 VAL 106 3.075 -10.792 2.016 840 H GLU 107 H GLU 107 6.675 -11.631 1.174 841 HA GLU 107 HA GLU 107 6.591 -11.553 3.993 842 1HB GLU 107 2HB GLU 107 7.508 -13.360 2.298 843 2HB GLU 107 1HB GLU 107 9.026 -12.518 2.574 844 1HG GLU 107 2HG GLU 107 8.346 -12.827 5.096 845 2HG GLU 107 1HG GLU 107 7.395 -14.155 4.434 846 H ARG 108 H ARG 108 8.882 -10.235 1.623 847 HA ARG 108 HA ARG 108 10.596 -9.006 3.503 848 1HB ARG 108 2HB ARG 108 10.366 -9.152 0.647 849 2HB ARG 108 1HB ARG 108 10.592 -7.471 1.112 850 1HG ARG 108 2HG ARG 108 12.372 -9.482 2.361 851 2HG ARG 108 1HG ARG 108 12.627 -9.101 0.657 852 1HD ARG 108 2HD ARG 108 13.742 -7.283 1.271 853 2HD ARG 108 1HD ARG 108 12.257 -6.644 1.973 854 HE ARG 108 HE ARG 108 13.054 -7.155 4.064 855 1HH1 ARG 108 1HH1 ARG 108 15.043 -8.726 1.664 856 2HH1 ARG 108 2HH1 ARG 108 16.259 -9.200 2.802 857 1HH2 ARG 108 1HH2 ARG 108 14.653 -7.778 5.561 858 2HH2 ARG 108 2HH2 ARG 108 16.038 -8.662 5.014 859 H PHE 109 H PHE 109 7.622 -8.055 1.931 860 HA PHE 109 HA PHE 109 7.582 -5.326 2.518 861 1HB PHE 109 2HB PHE 109 5.901 -6.174 1.052 862 2HB PHE 109 1HB PHE 109 5.378 -7.373 2.223 863 HD1 PHE 109 1HD PHE 109 5.946 -3.709 2.554 864 HD2 PHE 109 2HD PHE 109 3.175 -6.934 2.727 865 HE1 PHE 109 1HE PHE 109 4.206 -2.164 3.352 866 HE2 PHE 109 2HE PHE 109 1.429 -5.394 3.524 867 HZ PHE 109 HZ PHE 109 1.943 -3.008 3.838 868 H LEU 110 H LEU 110 6.857 -8.152 4.445 869 HA LEU 110 HA LEU 110 5.612 -6.996 6.649 870 1HB LEU 110 2HB LEU 110 6.281 -9.485 5.979 871 2HB LEU 110 1HB LEU 110 7.561 -9.161 7.130 872 HG LEU 110 HG LEU 110 4.654 -8.768 7.799 873 1HD1 LEU 110 1HD1 LEU 110 4.637 -10.941 8.799 874 2HD1 LEU 110 2HD1 LEU 110 6.332 -11.197 8.383 875 3HD1 LEU 110 3HD1 LEU 110 5.117 -11.109 7.110 876 1HD2 LEU 110 1HD2 LEU 110 7.219 -8.512 9.206 877 2HD2 LEU 110 2HD2 LEU 110 5.967 -9.385 10.089 878 3HD2 LEU 110 3HD2 LEU 110 5.666 -7.741 9.525 879 H LEU 111 H LEU 111 9.067 -7.694 6.180 880 HA LEU 111 HA LEU 111 9.976 -6.571 8.574 881 1HB LEU 111 2HB LEU 111 11.363 -6.909 5.922 882 2HB LEU 111 1HB LEU 111 12.178 -6.399 7.388 883 HG LEU 111 HG LEU 111 10.967 -8.695 8.230 884 1HD1 LEU 111 1HD1 LEU 111 10.560 -8.844 5.550 885 2HD1 LEU 111 2HD1 LEU 111 10.692 -10.235 6.625 886 3HD1 LEU 111 3HD1 LEU 111 12.100 -9.687 5.715 887 1HD2 LEU 111 1HD2 LEU 111 13.136 -8.578 8.857 888 2HD2 LEU 111 2HD2 LEU 111 13.666 -7.931 7.304 889 3HD2 LEU 111 3HD2 LEU 111 13.353 -9.658 7.480 890 H THR 112 H THR 112 9.557 -5.115 5.370 891 HA THR 112 HA THR 112 10.692 -2.613 6.004 892 HB THR 112 HB THR 112 8.602 -3.313 3.933 893 HG1 THR 112 1HG THR 112 11.405 -3.030 3.640 894 1HG2 THR 112 1HG2 THR 112 8.711 -1.271 3.063 895 2HG2 THR 112 2HG2 THR 112 10.451 -1.148 3.330 896 3HG2 THR 112 3HG2 THR 112 9.329 -0.781 4.641 897 H ILE 113 H ILE 113 7.397 -3.854 6.199 898 HA ILE 113 HA ILE 113 5.899 -1.639 6.657 899 HB ILE 113 HB ILE 113 5.753 -4.426 7.649 900 1HG1 ILE 113 2HG1 ILE 113 4.808 -3.779 5.492 901 2HG1 ILE 113 1HG1 ILE 113 3.539 -4.308 6.591 902 1HG2 ILE 113 1HG2 ILE 113 5.193 -3.373 9.700 903 2HG2 ILE 113 2HG2 ILE 113 3.681 -3.890 8.954 904 3HG2 ILE 113 3HG2 ILE 113 4.164 -2.194 8.888 905 1HD1 ILE 113 1HD1 ILE 113 3.580 -1.626 7.046 906 2HD1 ILE 113 2HD1 ILE 113 2.493 -2.453 5.931 907 3HD1 ILE 113 3HD1 ILE 113 3.977 -1.713 5.330 908 H LYS 114 H LYS 114 7.680 -3.393 9.206 909 HA LYS 114 HA LYS 114 7.030 -1.877 11.385 910 1HB LYS 114 2HB LYS 114 8.598 -3.928 11.169 911 2HB LYS 114 1HB LYS 114 9.869 -2.732 10.963 912 1HG LYS 114 2HG LYS 114 8.006 -2.647 13.307 913 2HG LYS 114 1HG LYS 114 9.454 -3.656 13.306 914 1HD LYS 114 2HD LYS 114 9.373 -0.667 12.894 915 2HD LYS 114 1HD LYS 114 9.884 -1.498 14.364 916 1HE LYS 114 2HE LYS 114 11.498 -2.705 12.606 917 2HE LYS 114 1HE LYS 114 11.289 -1.163 11.778 918 1HZ LYS 114 1HZ LYS 114 12.232 -0.003 13.543 919 2HZ LYS 114 2HZ LYS 114 13.205 -1.383 13.420 920 3HZ LYS 114 3HZ LYS 114 12.032 -1.280 14.634 921 H HIS 115 H HIS 115 9.837 -1.330 9.272 922 HA HIS 115 HA HIS 115 10.614 1.106 10.405 923 1HB HIS 115 2HB HIS 115 11.878 -0.415 8.761 924 2HB HIS 115 1HB HIS 115 11.009 0.454 7.501 925 HD1 HIS 115 1HD HIS 115 11.201 3.315 8.600 926 HD2 HIS 115 2HD HIS 115 14.375 0.633 8.526 927 HE1 HIS 115 1HE HIS 115 13.278 4.731 8.657 928 HE2 HIS 115 2HE HIS 115 15.186 3.084 8.687 929 H ALA 116 H ALA 116 8.215 0.356 7.960 930 HA ALA 116 HA ALA 116 7.849 2.913 6.882 931 1HB ALA 116 1HB ALA 116 5.336 1.793 6.810 932 2HB ALA 116 2HB ALA 116 6.398 0.388 6.892 933 3HB ALA 116 3HB ALA 116 6.602 1.571 5.603 934 H PHE 117 H PHE 117 6.487 1.400 9.764 935 HA PHE 117 HA PHE 117 4.743 3.602 10.349 936 1HB PHE 117 2HB PHE 117 5.533 1.085 11.776 937 2HB PHE 117 1HB PHE 117 4.646 2.343 12.630 938 HD1 PHE 117 1HD PHE 117 2.333 2.616 12.327 939 HD2 PHE 117 2HD PHE 117 4.516 0.041 9.740 940 HE1 PHE 117 1HE PHE 117 0.223 1.755 11.414 941 HE2 PHE 117 2HE PHE 117 2.411 -0.824 8.820 942 HZ PHE 117 HZ PHE 117 0.261 0.027 9.657 943 H GLU 118 H GLU 118 8.061 3.050 10.770 944 HA GLU 118 HA GLU 118 8.628 4.221 13.219 945 1HB GLU 118 2HB GLU 118 10.171 3.084 11.464 946 2HB GLU 118 1HB GLU 118 10.374 4.718 10.845 947 1HG GLU 118 2HG GLU 118 10.816 5.111 13.485 948 2HG GLU 118 1HG GLU 118 11.427 3.469 13.279 949 H GLU 119 H GLU 119 7.744 5.700 10.182 950 HA GLU 119 HA GLU 119 8.511 8.351 10.930 951 1HB GLU 119 2HB GLU 119 6.743 7.307 8.727 952 2HB GLU 119 1HB GLU 119 7.128 9.009 8.936 953 1HG GLU 119 2HG GLU 119 9.104 6.798 8.421 954 2HG GLU 119 1HG GLU 119 8.537 7.984 7.246 955 H TYR 120 H TYR 120 6.038 6.390 11.973 956 HA TYR 120 HA TYR 120 4.566 8.702 12.991 957 1HB TYR 120 2HB TYR 120 3.434 7.761 10.919 958 2HB TYR 120 1HB TYR 120 3.126 6.304 11.859 959 HD1 TYR 120 1HD TYR 120 0.864 6.214 12.331 960 HD2 TYR 120 2HD TYR 120 2.895 9.929 12.740 961 HE1 TYR 120 1HE TYR 120 -1.185 7.228 13.235 962 HE2 TYR 120 2HE TYR 120 0.852 10.953 13.647 963 HH TYR 120 HH TYR 120 -2.195 9.414 13.503 964 H SER 121 H SER 121 6.458 6.644 14.062 965 HA SER 121 HA SER 121 6.739 5.375 15.927 966 1HB SER 121 2HB SER 121 5.871 7.411 17.015 967 2HB SER 121 1HB SER 121 4.227 6.798 16.839 968 HG SER 121 HG SER 121 5.792 6.386 18.849 Start of MODEL 2 1 1H MET 1 1HT MET 1 0.689 5.150 12.537 2 2H MET 1 2HT MET 1 1.683 6.105 13.558 3 3H MET 1 3HT MET 1 0.092 5.689 14.050 4 HA MET 1 HA MET 1 2.473 3.999 13.842 5 1HB MET 1 2HB MET 1 1.690 5.371 15.906 6 2HB MET 1 1HB MET 1 0.430 4.153 16.043 7 1HG MET 1 2HG MET 1 2.363 2.457 15.976 8 2HG MET 1 1HG MET 1 3.387 3.843 16.347 9 1HE MET 1 1HE MET 1 3.430 1.391 18.164 10 2HE MET 1 2HE MET 1 1.750 0.920 17.906 11 3HE MET 1 3HE MET 1 2.310 1.341 19.525 12 H LYS 2 H LYS 2 2.244 2.022 13.046 13 HA LYS 2 HA LYS 2 1.336 0.069 12.321 14 1HB LYS 2 2HB LYS 2 -0.844 0.555 14.346 15 2HB LYS 2 1HB LYS 2 -0.310 -0.989 13.698 16 1HG LYS 2 2HG LYS 2 1.275 0.837 15.489 17 2HG LYS 2 1HG LYS 2 0.512 -0.687 15.949 18 1HD LYS 2 2HD LYS 2 1.958 -1.869 14.344 19 2HD LYS 2 1HD LYS 2 2.740 -0.339 13.943 20 1HE LYS 2 2HE LYS 2 4.081 -1.601 15.532 21 2HE LYS 2 1HE LYS 2 3.482 -0.113 16.264 22 1HZ LYS 2 1HZ LYS 2 1.999 -2.638 16.599 23 2HZ LYS 2 2HZ LYS 2 1.992 -1.261 17.581 24 3HZ LYS 2 3HZ LYS 2 3.331 -2.296 17.584 25 H ARG 3 H ARG 3 -1.177 -0.847 11.901 26 HA ARG 3 HA ARG 3 -2.956 -0.771 10.498 27 1HB ARG 3 2HB ARG 3 -2.779 2.187 11.088 28 2HB ARG 3 1HB ARG 3 -4.087 1.441 10.183 29 1HG ARG 3 2HG ARG 3 -5.066 1.424 12.212 30 2HG ARG 3 1HG ARG 3 -4.168 -0.086 12.369 31 1HD ARG 3 2HD ARG 3 -2.758 0.760 13.907 32 2HD ARG 3 1HD ARG 3 -2.678 2.334 13.116 33 HE ARG 3 HE ARG 3 -5.158 2.334 14.157 34 1HH1 ARG 3 1HH1 ARG 3 -2.038 1.608 15.542 35 2HH1 ARG 3 2HH1 ARG 3 -2.484 2.127 17.133 36 1HH2 ARG 3 1HH2 ARG 3 -5.745 3.018 16.247 37 2HH2 ARG 3 2HH2 ARG 3 -4.589 2.927 17.533 38 H VAL 4 H VAL 4 -2.416 -1.389 8.503 39 HA VAL 4 HA VAL 4 -1.188 0.616 6.721 40 HB VAL 4 HB VAL 4 -0.767 -2.367 6.503 41 1HG1 VAL 4 1HG1 VAL 4 1.295 -1.298 5.208 42 2HG1 VAL 4 2HG1 VAL 4 0.139 0.015 4.988 43 3HG1 VAL 4 3HG1 VAL 4 -0.253 -1.608 4.421 44 1HG2 VAL 4 1HG2 VAL 4 1.159 -0.335 7.625 45 2HG2 VAL 4 2HG2 VAL 4 1.408 -2.075 7.484 46 3HG2 VAL 4 3HG2 VAL 4 0.198 -1.444 8.602 47 H LEU 5 H LEU 5 -1.708 0.333 4.421 48 HA LEU 5 HA LEU 5 -4.380 -0.850 4.054 49 1HB LEU 5 2HB LEU 5 -4.381 1.595 3.904 50 2HB LEU 5 1HB LEU 5 -3.155 1.525 2.651 51 HG LEU 5 HG LEU 5 -4.804 0.229 1.245 52 1HD1 LEU 5 1HD1 LEU 5 -7.224 0.727 1.961 53 2HD1 LEU 5 2HD1 LEU 5 -6.545 0.935 3.574 54 3HD1 LEU 5 3HD1 LEU 5 -6.374 -0.608 2.739 55 1HD2 LEU 5 1HD2 LEU 5 -5.078 3.080 2.047 56 2HD2 LEU 5 2HD2 LEU 5 -6.299 2.387 0.980 57 3HD2 LEU 5 3HD2 LEU 5 -4.602 2.380 0.500 58 H VAL 6 H VAL 6 -4.696 -2.262 2.422 59 HA VAL 6 HA VAL 6 -2.403 -2.763 0.630 60 HB VAL 6 HB VAL 6 -4.442 -4.819 1.465 61 1HG1 VAL 6 1HG1 VAL 6 -3.424 -5.428 -0.580 62 2HG1 VAL 6 2HG1 VAL 6 -2.603 -6.360 0.671 63 3HG1 VAL 6 3HG1 VAL 6 -1.828 -4.934 -0.017 64 1HG2 VAL 6 1HG2 VAL 6 -3.055 -5.576 3.161 65 2HG2 VAL 6 2HG2 VAL 6 -2.922 -3.826 3.316 66 3HG2 VAL 6 3HG2 VAL 6 -1.642 -4.739 2.519 67 H VAL 7 H VAL 7 -3.156 -1.418 -1.028 68 HA VAL 7 HA VAL 7 -5.793 -1.812 -2.147 69 HB VAL 7 HB VAL 7 -3.476 -0.201 -3.248 70 1HG1 VAL 7 1HG1 VAL 7 -5.287 -0.857 -4.861 71 2HG1 VAL 7 2HG1 VAL 7 -5.049 0.880 -4.662 72 3HG1 VAL 7 3HG1 VAL 7 -6.407 0.081 -3.872 73 1HG2 VAL 7 1HG2 VAL 7 -5.750 0.580 -1.434 74 2HG2 VAL 7 2HG2 VAL 7 -4.756 1.743 -2.312 75 3HG2 VAL 7 3HG2 VAL 7 -4.020 0.685 -1.107 76 H ASP 8 H ASP 8 -6.140 -3.667 -3.224 77 HA ASP 8 HA ASP 8 -4.327 -4.330 -5.418 78 1HB ASP 8 2HB ASP 8 -3.580 -5.707 -3.529 79 2HB ASP 8 1HB ASP 8 -5.213 -6.333 -3.329 80 H ASP 9 H ASP 9 -5.297 -5.212 -7.177 81 HA ASP 9 HA ASP 9 -8.067 -4.851 -7.520 82 1HB ASP 9 2HB ASP 9 -6.439 -4.717 -9.363 83 2HB ASP 9 1HB ASP 9 -6.141 -6.442 -9.224 84 H GLU 10 H GLU 10 -6.333 -7.942 -7.918 85 HA GLU 10 HA GLU 10 -8.749 -9.404 -7.326 86 1HB GLU 10 2HB GLU 10 -6.130 -9.989 -8.482 87 2HB GLU 10 1HB GLU 10 -6.703 -11.262 -7.413 88 1HG GLU 10 2HG GLU 10 -8.807 -10.371 -9.164 89 2HG GLU 10 1HG GLU 10 -7.383 -10.858 -10.081 90 H GLU 11 H GLU 11 -8.077 -11.564 -5.927 91 HA GLU 11 HA GLU 11 -7.213 -10.485 -3.324 92 1HB GLU 11 2HB GLU 11 -9.003 -12.878 -3.694 93 2HB GLU 11 1HB GLU 11 -8.743 -11.930 -2.236 94 1HG GLU 11 2HG GLU 11 -10.653 -10.922 -2.764 95 2HG GLU 11 1HG GLU 11 -9.704 -10.055 -3.971 96 H SER 12 H SER 12 -5.033 -11.073 -4.271 97 HA SER 12 HA SER 12 -4.462 -13.937 -3.911 98 1HB SER 12 2HB SER 12 -2.305 -13.374 -5.128 99 2HB SER 12 1HB SER 12 -3.778 -13.252 -6.089 100 HG SER 12 HG SER 12 -1.969 -11.375 -5.632 101 H ILE 13 H ILE 13 -3.140 -10.708 -3.220 102 HA ILE 13 HA ILE 13 -1.283 -11.765 -1.278 103 HB ILE 13 HB ILE 13 -1.979 -8.889 -1.887 104 1HG1 ILE 13 2HG1 ILE 13 -1.077 -10.120 -3.840 105 2HG1 ILE 13 1HG1 ILE 13 0.022 -8.866 -3.273 106 1HG2 ILE 13 1HG2 ILE 13 0.097 -10.188 -0.173 107 2HG2 ILE 13 2HG2 ILE 13 -0.954 -8.818 0.185 108 3HG2 ILE 13 3HG2 ILE 13 0.410 -8.619 -0.915 109 1HD1 ILE 13 1HD1 ILE 13 0.287 -11.762 -2.524 110 2HD1 ILE 13 2HD1 ILE 13 1.457 -10.467 -2.272 111 3HD1 ILE 13 3HD1 ILE 13 1.099 -11.026 -3.905 112 H THR 14 H THR 14 -4.284 -9.893 -1.252 113 HA THR 14 HA THR 14 -4.411 -9.284 1.456 114 HB THR 14 HB THR 14 -6.864 -9.134 1.123 115 HG1 THR 14 1HG THR 14 -6.238 -10.301 -1.382 116 1HG2 THR 14 1HG2 THR 14 -5.542 -7.242 0.403 117 2HG2 THR 14 2HG2 THR 14 -6.895 -7.506 -0.697 118 3HG2 THR 14 3HG2 THR 14 -5.269 -8.004 -1.164 119 H SER 15 H SER 15 -4.802 -12.327 -0.124 120 HA SER 15 HA SER 15 -6.379 -13.598 1.872 121 1HB SER 15 2HB SER 15 -4.883 -14.433 -0.542 122 2HB SER 15 1HB SER 15 -5.115 -15.675 0.689 123 HG SER 15 HG SER 15 -7.247 -14.074 -0.251 124 H SER 16 H SER 16 -2.886 -13.431 1.258 125 HA SER 16 HA SER 16 -2.411 -14.871 3.770 126 1HB SER 16 2HB SER 16 -0.061 -15.048 2.963 127 2HB SER 16 1HB SER 16 -1.225 -15.782 1.861 128 HG SER 16 HG SER 16 0.421 -14.383 0.890 129 H LEU 17 H LEU 17 -1.217 -11.992 2.038 130 HA LEU 17 HA LEU 17 0.369 -10.880 3.974 131 1HB LEU 17 2HB LEU 17 0.208 -9.932 1.768 132 2HB LEU 17 1HB LEU 17 -1.474 -9.515 2.015 133 HG LEU 17 HG LEU 17 0.447 -7.708 2.178 134 1HD1 LEU 17 1HD1 LEU 17 -1.718 -6.948 2.364 135 2HD1 LEU 17 2HD1 LEU 17 -1.046 -6.549 3.944 136 3HD1 LEU 17 3HD1 LEU 17 -2.073 -7.971 3.756 137 1HD2 LEU 17 1HD2 LEU 17 1.523 -7.461 4.166 138 2HD2 LEU 17 2HD2 LEU 17 1.361 -9.216 4.172 139 3HD2 LEU 17 3HD2 LEU 17 0.231 -8.224 5.091 140 H SER 18 H SER 18 -3.135 -10.316 3.585 141 HA SER 18 HA SER 18 -3.546 -8.600 5.706 142 1HB SER 18 2HB SER 18 -5.393 -10.826 4.810 143 2HB SER 18 1HB SER 18 -5.862 -9.415 5.758 144 HG SER 18 HG SER 18 -5.944 -8.289 3.991 145 H ALA 19 H ALA 19 -3.515 -12.151 5.755 146 HA ALA 19 HA ALA 19 -4.118 -12.498 8.467 147 1HB ALA 19 1HB ALA 19 -4.263 -14.390 7.068 148 2HB ALA 19 2HB ALA 19 -2.923 -14.715 8.167 149 3HB ALA 19 3HB ALA 19 -2.600 -14.203 6.511 150 H ILE 20 H ILE 20 -1.034 -12.041 6.805 151 HA ILE 20 HA ILE 20 0.709 -12.514 8.925 152 HB ILE 20 HB ILE 20 0.877 -10.832 6.450 153 1HG1 ILE 20 2HG1 ILE 20 2.571 -13.117 7.460 154 2HG1 ILE 20 1HG1 ILE 20 1.176 -13.301 6.401 155 1HG2 ILE 20 1HG2 ILE 20 2.910 -10.853 8.669 156 2HG2 ILE 20 2HG2 ILE 20 2.086 -9.459 7.971 157 3HG2 ILE 20 3HG2 ILE 20 3.268 -10.353 7.017 158 1HD1 ILE 20 1HD1 ILE 20 3.896 -12.335 5.810 159 2HD1 ILE 20 2HD1 ILE 20 2.570 -11.522 4.977 160 3HD1 ILE 20 3HD1 ILE 20 2.775 -13.267 4.817 161 H LEU 21 H LEU 21 -0.469 -9.342 7.799 162 HA LEU 21 HA LEU 21 0.529 -7.718 9.761 163 1HB LEU 21 2HB LEU 21 -2.253 -7.503 8.628 164 2HB LEU 21 1HB LEU 21 -1.275 -6.200 9.277 165 HG LEU 21 HG LEU 21 0.066 -7.595 7.108 166 1HD1 LEU 21 1HD1 LEU 21 -1.595 -7.807 5.662 167 2HD1 LEU 21 2HD1 LEU 21 -1.787 -6.055 5.691 168 3HD1 LEU 21 3HD1 LEU 21 -2.734 -7.066 6.780 169 1HD2 LEU 21 1HD2 LEU 21 -0.488 -4.838 8.028 170 2HD2 LEU 21 2HD2 LEU 21 -0.106 -5.064 6.320 171 3HD2 LEU 21 3HD2 LEU 21 1.033 -5.597 7.556 172 H GLU 22 H GLU 22 -2.372 -9.729 9.896 173 HA GLU 22 HA GLU 22 -3.341 -8.826 12.376 174 1HB GLU 22 2HB GLU 22 -3.788 -11.200 10.663 175 2HB GLU 22 1HB GLU 22 -4.292 -11.311 12.343 176 1HG GLU 22 2HG GLU 22 -6.189 -10.359 11.712 177 2HG GLU 22 1HG GLU 22 -5.270 -8.864 11.538 178 H GLU 23 H GLU 23 -0.809 -11.064 11.533 179 HA GLU 23 HA GLU 23 -0.647 -12.232 14.161 180 1HB GLU 23 2HB GLU 23 0.046 -13.664 12.422 181 2HB GLU 23 1HB GLU 23 1.010 -12.410 11.656 182 1HG GLU 23 2HG GLU 23 2.814 -12.913 12.849 183 2HG GLU 23 1HG GLU 23 1.899 -13.023 14.352 184 H GLU 24 H GLU 24 0.910 -9.669 12.354 185 HA GLU 24 HA GLU 24 2.970 -9.211 14.288 186 1HB GLU 24 2HB GLU 24 2.000 -7.677 11.895 187 2HB GLU 24 1HB GLU 24 3.255 -7.051 12.955 188 1HG GLU 24 2HG GLU 24 3.343 -9.544 11.281 189 2HG GLU 24 1HG GLU 24 4.312 -8.084 11.097 190 H GLY 25 H GLY 25 -0.295 -8.153 13.860 191 1HA GLY 25 2HA GLY 25 -1.510 -7.237 15.702 192 2HA GLY 25 1HA GLY 25 -0.019 -6.501 16.262 193 H TYR 26 H TYR 26 -0.962 -6.380 12.916 194 HA TYR 26 HA TYR 26 -1.224 -3.470 13.136 195 1HB TYR 26 2HB TYR 26 -0.688 -5.316 10.815 196 2HB TYR 26 1HB TYR 26 -1.075 -3.616 10.588 197 HD1 TYR 26 1HD TYR 26 0.437 -1.943 11.940 198 HD2 TYR 26 2HD TYR 26 1.522 -5.949 11.015 199 HE1 TYR 26 1HE TYR 26 2.805 -1.362 12.240 200 HE2 TYR 26 2HE TYR 26 3.895 -5.382 11.311 201 HH TYR 26 HH TYR 26 5.370 -3.623 11.465 202 H HIS 27 H HIS 27 -2.718 -2.721 11.100 203 HA HIS 27 HA HIS 27 -5.252 -4.197 11.246 204 1HB HIS 27 2HB HIS 27 -4.976 -2.032 12.768 205 2HB HIS 27 1HB HIS 27 -5.351 -1.214 11.255 206 HD1 HIS 27 1HD HIS 27 -6.925 -2.795 14.103 207 HD2 HIS 27 2HD HIS 27 -7.921 -2.135 10.124 208 HE1 HIS 27 1HE HIS 27 -9.417 -3.101 13.974 209 HE2 HIS 27 2HE HIS 27 -9.987 -2.775 11.542 210 HA PRO 28 HA PRO 28 -4.321 -3.186 6.891 211 1HB PRO 28 2HB PRO 28 -5.131 -5.519 5.836 212 2HB PRO 28 1HB PRO 28 -3.548 -5.322 6.594 213 1HG PRO 28 2HG PRO 28 -6.024 -6.579 7.680 214 2HG PRO 28 1HG PRO 28 -4.338 -7.078 7.874 215 1HD PRO 28 2HD PRO 28 -5.791 -5.677 9.759 216 2HD PRO 28 1HD PRO 28 -4.020 -5.703 9.664 217 H ASP 29 H ASP 29 -5.653 -2.142 5.616 218 HA ASP 29 HA ASP 29 -8.527 -2.615 5.919 219 1HB ASP 29 2HB ASP 29 -7.167 -0.257 6.199 220 2HB ASP 29 1HB ASP 29 -7.827 -0.138 4.571 221 H THR 30 H THR 30 -6.257 -3.537 3.976 222 HA THR 30 HA THR 30 -6.043 -3.453 1.580 223 HB THR 30 HB THR 30 -6.745 -5.622 0.981 224 HG1 THR 30 1HG THR 30 -8.390 -6.696 2.010 225 1HG2 THR 30 1HG2 THR 30 -5.587 -6.787 2.488 226 2HG2 THR 30 2HG2 THR 30 -6.630 -6.288 3.820 227 3HG2 THR 30 3HG2 THR 30 -5.332 -5.228 3.272 228 H ALA 31 H ALA 31 -6.768 -2.466 -0.124 229 HA ALA 31 HA ALA 31 -9.645 -1.939 -0.375 230 1HB ALA 31 1HB ALA 31 -9.154 0.062 -1.287 231 2HB ALA 31 2HB ALA 31 -7.785 -0.570 -2.200 232 3HB ALA 31 3HB ALA 31 -7.599 -0.180 -0.491 233 H LYS 32 H LYS 32 -9.715 -1.353 -3.097 234 HA LYS 32 HA LYS 32 -9.246 -4.001 -4.294 235 1HB LYS 32 2HB LYS 32 -11.547 -3.838 -4.269 236 2HB LYS 32 1HB LYS 32 -11.531 -2.090 -4.440 237 1HG LYS 32 2HG LYS 32 -10.823 -2.379 -6.789 238 2HG LYS 32 1HG LYS 32 -11.007 -4.120 -6.591 239 1HD LYS 32 2HD LYS 32 -13.404 -3.275 -5.684 240 2HD LYS 32 1HD LYS 32 -13.053 -2.012 -6.865 241 1HE LYS 32 2HE LYS 32 -12.550 -3.875 -8.504 242 2HE LYS 32 1HE LYS 32 -13.247 -4.980 -7.321 243 1HZ LYS 32 1HZ LYS 32 -14.557 -3.003 -9.016 244 2HZ LYS 32 2HZ LYS 32 -15.186 -3.199 -7.458 245 3HZ LYS 32 3HZ LYS 32 -15.100 -4.523 -8.505 246 H THR 33 H THR 33 -9.226 -0.521 -4.860 247 HA THR 33 HA THR 33 -7.064 -0.803 -6.735 248 HB THR 33 HB THR 33 -8.368 0.526 -8.511 249 HG1 THR 33 1HG THR 33 -10.411 0.811 -8.202 250 1HG2 THR 33 1HG2 THR 33 -7.869 -2.091 -8.382 251 2HG2 THR 33 2HG2 THR 33 -8.778 -1.342 -9.695 252 3HG2 THR 33 3HG2 THR 33 -9.631 -2.131 -8.369 253 H LEU 34 H LEU 34 -6.930 1.616 -7.866 254 HA LEU 34 HA LEU 34 -6.199 3.292 -5.716 255 1HB LEU 34 2HB LEU 34 -6.578 3.985 -8.629 256 2HB LEU 34 1HB LEU 34 -5.734 4.970 -7.447 257 HG LEU 34 HG LEU 34 -4.864 2.172 -8.144 258 1HD1 LEU 34 1HD1 LEU 34 -3.448 4.553 -9.218 259 2HD1 LEU 34 2HD1 LEU 34 -4.912 4.005 -10.036 260 3HD1 LEU 34 3HD1 LEU 34 -3.543 2.909 -9.850 261 1HD2 LEU 34 1HD2 LEU 34 -4.159 3.817 -6.061 262 2HD2 LEU 34 2HD2 LEU 34 -2.897 4.132 -7.252 263 3HD2 LEU 34 3HD2 LEU 34 -3.192 2.485 -6.694 264 H ARG 35 H ARG 35 -8.937 3.369 -7.977 265 HA ARG 35 HA ARG 35 -10.104 5.740 -7.003 266 1HB ARG 35 2HB ARG 35 -10.989 3.441 -8.653 267 2HB ARG 35 1HB ARG 35 -12.265 4.356 -7.861 268 1HG ARG 35 2HG ARG 35 -11.242 6.428 -8.874 269 2HG ARG 35 1HG ARG 35 -10.236 5.348 -9.841 270 1HD ARG 35 2HD ARG 35 -12.358 4.255 -10.631 271 2HD ARG 35 1HD ARG 35 -13.240 5.559 -9.838 272 HE ARG 35 HE ARG 35 -11.224 6.471 -11.675 273 1HH1 ARG 35 1HH1 ARG 35 -14.541 5.432 -11.347 274 2HH1 ARG 35 2HH1 ARG 35 -15.072 6.261 -12.771 275 1HH2 ARG 35 1HH2 ARG 35 -11.922 7.562 -13.548 276 2HH2 ARG 35 2HH2 ARG 35 -13.586 7.471 -14.021 277 H GLU 36 H GLU 36 -10.680 2.330 -6.206 278 HA GLU 36 HA GLU 36 -12.602 2.834 -4.185 279 1HB GLU 36 2HB GLU 36 -12.014 0.622 -5.460 280 2HB GLU 36 1HB GLU 36 -10.836 0.405 -4.174 281 1HG GLU 36 2HG GLU 36 -12.573 -0.705 -3.247 282 2HG GLU 36 1HG GLU 36 -12.950 0.915 -2.661 283 H ALA 37 H ALA 37 -9.113 2.669 -4.255 284 HA ALA 37 HA ALA 37 -8.721 2.540 -1.438 285 1HB ALA 37 1HB ALA 37 -6.388 3.178 -1.974 286 2HB ALA 37 2HB ALA 37 -6.871 3.428 -3.651 287 3HB ALA 37 3HB ALA 37 -6.969 1.819 -2.935 288 H GLU 38 H GLU 38 -9.256 5.116 -3.730 289 HA GLU 38 HA GLU 38 -8.375 7.248 -2.068 290 1HB GLU 38 2HB GLU 38 -10.230 7.142 -4.439 291 2HB GLU 38 1HB GLU 38 -9.840 8.640 -3.606 292 1HG GLU 38 2HG GLU 38 -7.649 8.627 -4.322 293 2HG GLU 38 1HG GLU 38 -7.649 6.889 -4.620 294 H LYS 39 H LYS 39 -11.506 5.731 -2.702 295 HA LYS 39 HA LYS 39 -13.073 7.408 -1.087 296 1HB LYS 39 2HB LYS 39 -14.110 5.904 -2.668 297 2HB LYS 39 1HB LYS 39 -13.426 4.505 -1.853 298 1HG LYS 39 2HG LYS 39 -15.242 6.338 -0.357 299 2HG LYS 39 1HG LYS 39 -15.914 5.151 -1.478 300 1HD LYS 39 2HD LYS 39 -14.176 3.601 -0.115 301 2HD LYS 39 1HD LYS 39 -14.607 4.767 1.138 302 1HE LYS 39 2HE LYS 39 -16.595 3.205 -0.504 303 2HE LYS 39 1HE LYS 39 -16.049 2.740 1.106 304 1HZ LYS 39 1HZ LYS 39 -18.198 3.993 1.010 305 2HZ LYS 39 2HZ LYS 39 -17.318 5.355 0.531 306 3HZ LYS 39 3HZ LYS 39 -17.032 4.652 2.043 307 H LYS 40 H LYS 40 -11.119 4.573 -0.361 308 HA LYS 40 HA LYS 40 -12.030 4.315 2.340 309 1HB LYS 40 2HB LYS 40 -9.614 3.206 0.910 310 2HB LYS 40 1HB LYS 40 -10.038 2.808 2.570 311 1HG LYS 40 2HG LYS 40 -12.241 1.978 1.705 312 2HG LYS 40 1HG LYS 40 -11.593 2.178 0.076 313 1HD LYS 40 2HD LYS 40 -10.547 0.220 0.216 314 2HD LYS 40 1HD LYS 40 -9.695 0.748 1.669 315 1HE LYS 40 2HE LYS 40 -10.920 -0.614 2.924 316 2HE LYS 40 1HE LYS 40 -12.406 0.129 2.336 317 1HZ LYS 40 1HZ LYS 40 -12.488 -2.170 1.817 318 2HZ LYS 40 2HZ LYS 40 -10.942 -2.150 1.130 319 3HZ LYS 40 3HZ LYS 40 -12.219 -1.350 0.361 320 H ILE 41 H ILE 41 -9.201 5.761 0.774 321 HA ILE 41 HA ILE 41 -7.974 6.576 3.225 322 HB ILE 41 HB ILE 41 -7.475 7.610 0.430 323 1HG1 ILE 41 2HG1 ILE 41 -5.663 5.665 1.771 324 2HG1 ILE 41 1HG1 ILE 41 -7.178 5.047 1.122 325 1HG2 ILE 41 1HG2 ILE 41 -6.230 8.122 3.053 326 2HG2 ILE 41 2HG2 ILE 41 -6.323 9.144 1.620 327 3HG2 ILE 41 3HG2 ILE 41 -5.122 7.855 1.706 328 1HD1 ILE 41 1HD1 ILE 41 -6.525 6.155 -1.058 329 2HD1 ILE 41 2HD1 ILE 41 -5.581 4.748 -0.567 330 3HD1 ILE 41 3HD1 ILE 41 -4.925 6.371 -0.348 331 H LYS 42 H LYS 42 -10.398 7.912 1.145 332 HA LYS 42 HA LYS 42 -10.199 10.621 1.576 333 1HB LYS 42 2HB LYS 42 -11.892 9.228 0.186 334 2HB LYS 42 1HB LYS 42 -12.869 9.276 1.647 335 1HG LYS 42 2HG LYS 42 -12.444 11.839 1.518 336 2HG LYS 42 1HG LYS 42 -12.073 11.496 -0.173 337 1HD LYS 42 2HD LYS 42 -14.604 10.534 1.130 338 2HD LYS 42 1HD LYS 42 -14.482 12.135 0.398 339 1HE LYS 42 2HE LYS 42 -13.585 10.835 -1.665 340 2HE LYS 42 1HE LYS 42 -14.344 9.441 -0.897 341 1HZ LYS 42 1HZ LYS 42 -16.375 11.033 -0.763 342 2HZ LYS 42 2HZ LYS 42 -16.031 10.225 -2.209 343 3HZ LYS 42 3HZ LYS 42 -15.593 11.849 -2.024 344 H GLU 43 H GLU 43 -11.135 8.144 3.812 345 HA GLU 43 HA GLU 43 -11.658 10.212 5.833 346 1HB GLU 43 2HB GLU 43 -12.960 7.494 5.632 347 2HB GLU 43 1HB GLU 43 -13.220 8.657 6.926 348 1HG GLU 43 2HG GLU 43 -14.406 10.107 5.557 349 2HG GLU 43 1HG GLU 43 -13.765 9.389 4.079 350 H LEU 44 H LEU 44 -10.878 6.742 5.569 351 HA LEU 44 HA LEU 44 -9.633 6.543 8.076 352 1HB LEU 44 2HB LEU 44 -10.101 4.858 5.809 353 2HB LEU 44 1HB LEU 44 -8.433 4.671 6.317 354 HG LEU 44 HG LEU 44 -9.904 3.011 7.363 355 1HD1 LEU 44 1HD1 LEU 44 -7.939 3.586 8.579 356 2HD1 LEU 44 2HD1 LEU 44 -9.266 3.481 9.735 357 3HD1 LEU 44 3HD1 LEU 44 -8.684 5.057 9.203 358 1HD2 LEU 44 1HD2 LEU 44 -11.982 4.150 7.485 359 2HD2 LEU 44 2HD2 LEU 44 -11.290 5.447 8.459 360 3HD2 LEU 44 3HD2 LEU 44 -11.478 3.833 9.145 361 H PHE 45 H PHE 45 -7.752 7.282 8.787 362 HA PHE 45 HA PHE 45 -5.873 8.467 6.919 363 1HB PHE 45 2HB PHE 45 -6.469 9.677 8.977 364 2HB PHE 45 1HB PHE 45 -5.827 8.353 9.943 365 HD1 PHE 45 1HD PHE 45 -4.649 10.440 7.077 366 HD2 PHE 45 2HD PHE 45 -3.794 8.772 10.897 367 HE1 PHE 45 1HE PHE 45 -2.427 11.496 7.036 368 HE2 PHE 45 2HE PHE 45 -1.570 9.825 10.864 369 HZ PHE 45 HZ PHE 45 -0.884 11.189 8.931 370 H PHE 46 H PHE 46 -5.215 6.449 5.933 371 HA PHE 46 HA PHE 46 -3.893 4.437 7.468 372 1HB PHE 46 2HB PHE 46 -3.877 4.972 4.491 373 2HB PHE 46 1HB PHE 46 -3.213 3.533 5.257 374 HD1 PHE 46 1HD PHE 46 -5.792 4.481 3.353 375 HD2 PHE 46 2HD PHE 46 -5.126 2.656 7.138 376 HE1 PHE 46 1HE PHE 46 -7.999 3.402 3.215 377 HE2 PHE 46 2HE PHE 46 -7.333 1.572 7.008 378 HZ PHE 46 HZ PHE 46 -8.773 1.947 5.046 379 HA PRO 47 HA PRO 47 -0.044 6.776 7.696 380 1HB PRO 47 2HB PRO 47 1.272 5.058 9.303 381 2HB PRO 47 1HB PRO 47 0.005 6.128 9.918 382 1HG PRO 47 2HG PRO 47 -0.166 3.235 9.156 383 2HG PRO 47 1HG PRO 47 -0.819 4.046 10.591 384 1HD PRO 47 2HD PRO 47 -2.341 3.457 8.427 385 2HD PRO 47 1HD PRO 47 -2.639 4.879 9.446 386 H VAL 48 H VAL 48 -0.613 3.609 6.496 387 HA VAL 48 HA VAL 48 1.723 3.789 4.785 388 HB VAL 48 HB VAL 48 1.151 1.206 6.211 389 1HG1 VAL 48 1HG1 VAL 48 2.591 1.569 4.024 390 2HG1 VAL 48 2HG1 VAL 48 3.082 0.429 5.276 391 3HG1 VAL 48 3HG1 VAL 48 3.822 2.028 5.202 392 1HG2 VAL 48 1HG2 VAL 48 1.614 2.794 7.937 393 2HG2 VAL 48 2HG2 VAL 48 3.001 3.421 7.047 394 3HG2 VAL 48 3HG2 VAL 48 3.041 1.783 7.703 395 H ILE 49 H ILE 49 1.260 3.128 2.774 396 HA ILE 49 HA ILE 49 -1.209 1.599 2.322 397 HB ILE 49 HB ILE 49 0.005 3.461 0.293 398 1HG1 ILE 49 2HG1 ILE 49 -0.497 4.754 2.349 399 2HG1 ILE 49 1HG1 ILE 49 -1.535 5.205 1.001 400 1HG2 ILE 49 1HG2 ILE 49 -2.466 1.865 0.553 401 2HG2 ILE 49 2HG2 ILE 49 -1.518 2.271 -0.879 402 3HG2 ILE 49 3HG2 ILE 49 -2.628 3.457 -0.191 403 1HD1 ILE 49 1HD1 ILE 49 -2.204 3.808 3.530 404 2HD1 ILE 49 2HD1 ILE 49 -3.140 3.427 2.086 405 3HD1 ILE 49 3HD1 ILE 49 -3.067 5.087 2.676 406 H VAL 50 H VAL 50 -1.180 0.234 0.361 407 HA VAL 50 HA VAL 50 1.453 -0.438 -0.669 408 HB VAL 50 HB VAL 50 -0.272 -2.512 0.692 409 1HG1 VAL 50 1HG1 VAL 50 2.453 -2.820 -0.566 410 2HG1 VAL 50 2HG1 VAL 50 0.940 -3.305 -1.332 411 3HG1 VAL 50 3HG1 VAL 50 1.466 -4.089 0.159 412 1HG2 VAL 50 1HG2 VAL 50 1.613 -2.689 2.265 413 2HG2 VAL 50 2HG2 VAL 50 0.862 -1.094 2.297 414 3HG2 VAL 50 3HG2 VAL 50 2.395 -1.330 1.458 415 H LEU 51 H LEU 51 0.877 0.096 -2.682 416 HA LEU 51 HA LEU 51 -1.591 -0.788 -3.868 417 1HB LEU 51 2HB LEU 51 -0.692 1.359 -4.502 418 2HB LEU 51 1HB LEU 51 0.808 0.621 -5.027 419 HG LEU 51 HG LEU 51 -0.387 -0.522 -6.847 420 1HD1 LEU 51 1HD1 LEU 51 -2.560 -0.870 -6.168 421 2HD1 LEU 51 2HD1 LEU 51 -2.749 0.480 -7.286 422 3HD1 LEU 51 3HD1 LEU 51 -2.743 0.769 -5.546 423 1HD2 LEU 51 1HD2 LEU 51 0.431 2.039 -6.785 424 2HD2 LEU 51 2HD2 LEU 51 -1.264 2.270 -7.211 425 3HD2 LEU 51 3HD2 LEU 51 -0.230 1.260 -8.222 426 H ASP 52 H ASP 52 -1.951 -2.537 -5.037 427 HA ASP 52 HA ASP 52 0.342 -4.198 -5.852 428 1HB ASP 52 2HB ASP 52 -1.973 -4.831 -4.274 429 2HB ASP 52 1HB ASP 52 -2.014 -5.775 -5.759 430 H VAL 53 H VAL 53 0.503 -3.272 -7.900 431 HA VAL 53 HA VAL 53 -1.684 -2.876 -9.642 432 HB VAL 53 HB VAL 53 0.004 -2.601 -11.413 433 1HG1 VAL 53 1HG1 VAL 53 -0.475 -0.693 -10.054 434 2HG1 VAL 53 2HG1 VAL 53 1.267 -0.742 -10.333 435 3HG1 VAL 53 3HG1 VAL 53 0.607 -1.264 -8.782 436 1HG2 VAL 53 1HG2 VAL 53 2.133 -3.317 -11.284 437 2HG2 VAL 53 2HG2 VAL 53 1.501 -4.402 -10.048 438 3HG2 VAL 53 3HG2 VAL 53 2.282 -2.892 -9.580 439 H TRP 54 H TRP 54 -2.593 -5.133 -9.105 440 HA TRP 54 HA TRP 54 -1.411 -7.391 -10.379 441 1HB TRP 54 2HB TRP 54 -2.915 -7.749 -8.525 442 2HB TRP 54 1HB TRP 54 -4.218 -6.905 -9.355 443 HD1 TRP 54 HD TRP 54 -5.890 -8.425 -10.567 444 HE1 TRP 54 1HE TRP 54 -5.898 -10.864 -11.394 445 HE3 TRP 54 3HE TRP 54 -1.049 -9.661 -9.494 446 HZ2 TRP 54 2HZ TRP 54 -4.091 -13.026 -11.565 447 HZ3 TRP 54 3HZ TRP 54 -0.266 -11.935 -10.018 448 HH2 TRP 54 HH TRP 54 -1.757 -13.582 -11.032 449 H MET 55 H MET 55 -4.747 -6.743 -11.210 450 HA MET 55 HA MET 55 -3.953 -6.154 -13.969 451 1HB MET 55 2HB MET 55 -4.714 -8.647 -13.288 452 2HB MET 55 1HB MET 55 -6.286 -7.940 -13.635 453 1HG MET 55 2HG MET 55 -4.858 -7.107 -15.781 454 2HG MET 55 1HG MET 55 -4.092 -8.657 -15.441 455 1HE MET 55 1HE MET 55 -4.649 -10.409 -16.851 456 2HE MET 55 2HE MET 55 -6.256 -11.094 -17.090 457 3HE MET 55 3HE MET 55 -5.542 -11.064 -15.478 458 HA PRO 56 HA PRO 56 -7.882 -3.873 -12.521 459 1HB PRO 56 2HB PRO 56 -7.049 -1.768 -11.099 460 2HB PRO 56 1HB PRO 56 -7.293 -3.345 -10.342 461 1HG PRO 56 2HG PRO 56 -4.755 -2.029 -11.207 462 2HG PRO 56 1HG PRO 56 -5.083 -2.970 -9.744 463 1HD PRO 56 2HD PRO 56 -3.836 -3.959 -12.003 464 2HD PRO 56 1HD PRO 56 -4.673 -4.944 -10.789 465 H ASP 57 H ASP 57 -8.040 -1.171 -12.632 466 HA ASP 57 HA ASP 57 -6.710 -0.498 -15.174 467 1HB ASP 57 2HB ASP 57 -9.163 -0.827 -15.361 468 2HB ASP 57 1HB ASP 57 -9.401 0.470 -14.194 469 H GLY 58 H GLY 58 -5.761 0.007 -12.423 470 1HA GLY 58 2HA GLY 58 -6.111 2.857 -12.020 471 2HA GLY 58 1HA GLY 58 -5.142 1.773 -11.033 472 H ASP 59 H ASP 59 -2.981 1.583 -11.417 473 HA ASP 59 HA ASP 59 -0.913 2.195 -12.141 474 1HB ASP 59 2HB ASP 59 -2.500 1.888 -14.643 475 2HB ASP 59 1HB ASP 59 -0.919 2.654 -14.773 476 H GLY 60 H GLY 60 -2.262 4.234 -10.951 477 1HA GLY 60 2HA GLY 60 -1.948 6.583 -12.674 478 2HA GLY 60 1HA GLY 60 -2.762 6.548 -11.118 479 H VAL 61 H VAL 61 0.135 7.206 -12.770 480 HA VAL 61 HA VAL 61 2.040 6.941 -10.738 481 HB VAL 61 HB VAL 61 1.984 8.983 -12.967 482 1HG1 VAL 61 1HG1 VAL 61 4.208 7.903 -11.258 483 2HG1 VAL 61 2HG1 VAL 61 3.643 9.570 -11.369 484 3HG1 VAL 61 3HG1 VAL 61 4.465 8.825 -12.740 485 1HG2 VAL 61 1HG2 VAL 61 3.519 6.442 -13.143 486 2HG2 VAL 61 2HG2 VAL 61 2.821 7.432 -14.424 487 3HG2 VAL 61 3HG2 VAL 61 1.783 6.396 -13.445 488 H ASN 62 H ASN 62 -0.127 9.596 -11.594 489 HA ASN 62 HA ASN 62 0.923 11.466 -9.745 490 1HB ASN 62 2HB ASN 62 -1.098 11.424 -11.733 491 2HB ASN 62 1HB ASN 62 -1.858 11.961 -10.239 492 1HD2 ASN 62 1HD2 ASN 62 1.349 12.451 -11.679 493 2HD2 ASN 62 2HD2 ASN 62 1.305 14.177 -11.606 494 H PHE 63 H PHE 63 -0.932 8.664 -9.272 495 HA PHE 63 HA PHE 63 -2.659 9.331 -7.213 496 1HB PHE 63 2HB PHE 63 -2.576 7.110 -8.309 497 2HB PHE 63 1HB PHE 63 -1.075 6.765 -7.452 498 HD1 PHE 63 1HD PHE 63 -4.424 8.129 -6.530 499 HD2 PHE 63 2HD PHE 63 -1.346 5.310 -5.699 500 HE1 PHE 63 1HE PHE 63 -5.712 7.297 -4.610 501 HE2 PHE 63 2HE PHE 63 -2.632 4.470 -3.776 502 HZ PHE 63 HZ PHE 63 -4.820 5.466 -3.231 503 H ILE 64 H ILE 64 0.801 8.628 -7.077 504 HA ILE 64 HA ILE 64 1.206 8.384 -4.366 505 HB ILE 64 HB ILE 64 3.007 9.912 -6.250 506 1HG1 ILE 64 2HG1 ILE 64 3.712 7.139 -5.710 507 2HG1 ILE 64 1HG1 ILE 64 2.142 7.277 -6.493 508 1HG2 ILE 64 1HG2 ILE 64 4.567 9.929 -4.650 509 2HG2 ILE 64 2HG2 ILE 64 4.218 8.270 -4.165 510 3HG2 ILE 64 3HG2 ILE 64 3.241 9.596 -3.536 511 1HD1 ILE 64 1HD1 ILE 64 4.809 7.690 -7.563 512 2HD1 ILE 64 2HD1 ILE 64 3.688 8.992 -7.959 513 3HD1 ILE 64 3HD1 ILE 64 3.295 7.327 -8.391 514 H ASP 65 H ASP 65 0.459 11.257 -6.200 515 HA ASP 65 HA ASP 65 1.144 13.098 -4.111 516 1HB ASP 65 2HB ASP 65 0.772 13.405 -6.766 517 2HB ASP 65 1HB ASP 65 -0.812 13.913 -6.189 518 H PHE 66 H PHE 66 -1.746 11.398 -5.137 519 HA PHE 66 HA PHE 66 -3.653 12.839 -3.673 520 1HB PHE 66 2HB PHE 66 -4.426 11.272 -5.304 521 2HB PHE 66 1HB PHE 66 -3.538 9.950 -4.556 522 HD1 PHE 66 1HD PHE 66 -4.435 8.747 -2.700 523 HD2 PHE 66 2HD PHE 66 -6.479 12.130 -4.275 524 HE1 PHE 66 1HE PHE 66 -6.436 8.136 -1.405 525 HE2 PHE 66 2HE PHE 66 -8.484 11.528 -2.982 526 HZ PHE 66 HZ PHE 66 -8.464 9.528 -1.545 527 H ILE 67 H ILE 67 -1.721 9.993 -2.802 528 HA ILE 67 HA ILE 67 -2.741 9.605 -0.229 529 HB ILE 67 HB ILE 67 0.005 9.010 -1.343 530 1HG1 ILE 67 2HG1 ILE 67 -1.067 6.618 -1.056 531 2HG1 ILE 67 1HG1 ILE 67 -2.580 7.516 -1.115 532 1HG2 ILE 67 1HG2 ILE 67 0.359 9.096 0.981 533 2HG2 ILE 67 2HG2 ILE 67 0.111 7.388 0.619 534 3HG2 ILE 67 3HG2 ILE 67 -1.194 8.337 1.330 535 1HD1 ILE 67 1HD1 ILE 67 -0.740 8.261 -3.237 536 2HD1 ILE 67 2HD1 ILE 67 -2.439 7.795 -3.314 537 3HD1 ILE 67 3HD1 ILE 67 -1.187 6.555 -3.266 538 H LYS 68 H LYS 68 -0.049 11.622 -1.371 539 HA LYS 68 HA LYS 68 0.577 12.567 1.271 540 1HB LYS 68 2HB LYS 68 1.439 13.548 -1.457 541 2HB LYS 68 1HB LYS 68 2.073 14.158 0.066 542 1HG LYS 68 2HG LYS 68 2.244 11.273 -0.088 543 2HG LYS 68 1HG LYS 68 3.078 12.057 -1.430 544 1HD LYS 68 2HD LYS 68 3.911 13.595 0.628 545 2HD LYS 68 1HD LYS 68 3.705 12.048 1.450 546 1HE LYS 68 2HE LYS 68 5.141 10.974 -0.217 547 2HE LYS 68 1HE LYS 68 5.343 12.521 -1.039 548 1HZ LYS 68 1HZ LYS 68 6.488 13.396 0.839 549 2HZ LYS 68 2HZ LYS 68 7.201 11.908 0.463 550 3HZ LYS 68 3HZ LYS 68 6.143 12.032 1.777 551 H GLU 69 H GLU 69 -1.614 13.461 -1.235 552 HA GLU 69 HA GLU 69 -1.953 16.192 -0.622 553 1HB GLU 69 2HB GLU 69 -2.753 14.979 -2.694 554 2HB GLU 69 1HB GLU 69 -4.067 14.345 -1.715 555 1HG GLU 69 2HG GLU 69 -4.977 16.501 -1.374 556 2HG GLU 69 1HG GLU 69 -3.541 17.283 -2.031 557 H ASN 70 H ASN 70 -3.305 13.246 0.683 558 HA ASN 70 HA ASN 70 -4.597 14.834 2.798 559 1HB ASN 70 2HB ASN 70 -5.815 12.228 1.998 560 2HB ASN 70 1HB ASN 70 -6.577 13.655 2.690 561 1HD2 ASN 70 1HD2 ASN 70 -4.927 12.568 -0.249 562 2HD2 ASN 70 2HD2 ASN 70 -5.920 13.458 -1.345 563 H SER 71 H SER 71 -2.016 13.212 2.438 564 HA SER 71 HA SER 71 -1.926 12.165 5.072 565 1HB SER 71 2HB SER 71 -3.101 10.389 3.403 566 2HB SER 71 1HB SER 71 -1.410 9.951 3.172 567 HG SER 71 HG SER 71 -2.777 9.004 5.016 568 HA PRO 72 HA PRO 72 2.140 13.156 3.137 569 1HB PRO 72 2HB PRO 72 2.578 15.232 5.031 570 2HB PRO 72 1HB PRO 72 2.202 15.406 3.318 571 1HG PRO 72 2HG PRO 72 0.537 16.149 5.418 572 2HG PRO 72 1HG PRO 72 0.027 15.894 3.741 573 1HD PRO 72 2HD PRO 72 -0.200 14.071 6.095 574 2HD PRO 72 1HD PRO 72 -1.322 14.314 4.737 575 H ASP 73 H ASP 73 1.051 12.193 6.176 576 HA ASP 73 HA ASP 73 3.785 11.765 7.163 577 1HB ASP 73 2HB ASP 73 1.872 12.968 8.512 578 2HB ASP 73 1HB ASP 73 1.399 11.314 8.885 579 H SER 74 H SER 74 1.896 10.138 5.262 580 HA SER 74 HA SER 74 1.884 7.597 6.685 581 1HB SER 74 2HB SER 74 0.866 7.199 4.111 582 2HB SER 74 1HB SER 74 -0.062 7.437 5.585 583 HG SER 74 HG SER 74 0.671 9.328 3.634 584 H VAL 75 H VAL 75 2.096 5.926 4.374 585 HA VAL 75 HA VAL 75 4.690 6.499 3.204 586 HB VAL 75 HB VAL 75 4.297 3.913 4.709 587 1HG1 VAL 75 1HG1 VAL 75 6.394 5.073 2.928 588 2HG1 VAL 75 2HG1 VAL 75 5.782 3.421 3.021 589 3HG1 VAL 75 3HG1 VAL 75 6.900 4.019 4.247 590 1HG2 VAL 75 1HG2 VAL 75 4.507 5.770 6.277 591 2HG2 VAL 75 2HG2 VAL 75 5.960 6.325 5.446 592 3HG2 VAL 75 3HG2 VAL 75 5.962 4.773 6.287 593 H VAL 76 H VAL 76 4.875 5.721 1.212 594 HA VAL 76 HA VAL 76 2.777 3.864 0.290 595 HB VAL 76 HB VAL 76 4.265 5.869 -1.404 596 1HG1 VAL 76 1HG1 VAL 76 3.490 4.456 -2.983 597 2HG1 VAL 76 2HG1 VAL 76 1.984 5.335 -2.722 598 3HG1 VAL 76 3HG1 VAL 76 2.248 3.784 -1.925 599 1HG2 VAL 76 1HG2 VAL 76 1.416 6.317 -0.900 600 2HG2 VAL 76 2HG2 VAL 76 2.757 7.462 -0.932 601 3HG2 VAL 76 3HG2 VAL 76 2.441 6.512 0.521 602 H ILE 77 H ILE 77 3.570 1.879 0.080 603 HA ILE 77 HA ILE 77 6.349 1.473 -0.690 604 HB ILE 77 HB ILE 77 4.258 -0.603 -0.025 605 1HG1 ILE 77 2HG1 ILE 77 4.674 0.971 1.848 606 2HG1 ILE 77 1HG1 ILE 77 5.219 -0.665 2.205 607 1HG2 ILE 77 1HG2 ILE 77 6.178 -1.415 -1.339 608 2HG2 ILE 77 2HG2 ILE 77 6.130 -2.104 0.284 609 3HG2 ILE 77 3HG2 ILE 77 7.265 -0.808 -0.090 610 1HD1 ILE 77 1HD1 ILE 77 7.464 0.477 1.152 611 2HD1 ILE 77 2HD1 ILE 77 7.103 0.315 2.870 612 3HD1 ILE 77 3HD1 ILE 77 6.728 1.818 2.027 613 H VAL 78 H VAL 78 3.123 0.454 -1.818 614 HA VAL 78 HA VAL 78 2.372 -0.271 -3.846 615 HB VAL 78 HB VAL 78 4.598 1.441 -4.967 616 1HG1 VAL 78 1HG1 VAL 78 2.437 1.675 -6.623 617 2HG1 VAL 78 2HG1 VAL 78 2.335 -0.013 -6.122 618 3HG1 VAL 78 3HG1 VAL 78 3.804 0.592 -6.885 619 1HG2 VAL 78 1HG2 VAL 78 1.833 2.476 -4.672 620 2HG2 VAL 78 2HG2 VAL 78 3.375 3.330 -4.624 621 3HG2 VAL 78 3HG2 VAL 78 2.838 2.402 -3.225 622 H ILE 79 H ILE 79 2.806 -2.425 -3.867 623 HA ILE 79 HA ILE 79 5.435 -3.304 -4.837 624 HB ILE 79 HB ILE 79 3.395 -5.263 -3.890 625 1HG1 ILE 79 2HG1 ILE 79 5.094 -3.653 -1.980 626 2HG1 ILE 79 1HG1 ILE 79 3.375 -3.378 -2.236 627 1HG2 ILE 79 1HG2 ILE 79 5.153 -6.615 -3.988 628 2HG2 ILE 79 2HG2 ILE 79 6.013 -5.617 -2.816 629 3HG2 ILE 79 3HG2 ILE 79 6.147 -5.267 -4.539 630 1HD1 ILE 79 1HD1 ILE 79 3.436 -4.681 -0.328 631 2HD1 ILE 79 2HD1 ILE 79 4.739 -5.698 -0.944 632 3HD1 ILE 79 3HD1 ILE 79 3.111 -5.856 -1.603 633 H THR 80 H THR 80 4.840 -5.740 -5.937 634 HA THR 80 HA THR 80 3.996 -6.826 -7.753 635 HB THR 80 HB THR 80 1.985 -4.621 -8.156 636 HG1 THR 80 1HG THR 80 0.645 -5.935 -6.732 637 1HG2 THR 80 1HG2 THR 80 0.536 -6.437 -8.889 638 2HG2 THR 80 2HG2 THR 80 1.840 -7.591 -8.609 639 3HG2 THR 80 3HG2 THR 80 2.011 -6.353 -9.853 640 H GLY 81 H GLY 81 5.341 -6.803 -9.418 641 1HA GLY 81 2HA GLY 81 5.226 -5.226 -11.629 642 2HA GLY 81 1HA GLY 81 6.292 -4.332 -10.557 643 H HIS 82 H HIS 82 5.835 -7.508 -12.067 644 HA HIS 82 HA HIS 82 8.674 -8.095 -11.735 645 1HB HIS 82 2HB HIS 82 6.260 -9.660 -12.030 646 2HB HIS 82 1HB HIS 82 7.467 -10.160 -13.209 647 HD1 HIS 82 1HD HIS 82 9.955 -9.648 -11.315 648 HD2 HIS 82 2HD HIS 82 6.554 -11.833 -10.357 649 HE1 HIS 82 1HE HIS 82 10.660 -11.219 -9.481 650 HE2 HIS 82 2HE HIS 82 8.608 -12.591 -8.979 651 H GLY 83 H GLY 83 6.292 -8.027 -14.392 652 1HA GLY 83 2HA GLY 83 8.479 -7.882 -16.326 653 2HA GLY 83 1HA GLY 83 6.780 -8.126 -16.698 654 H SER 84 H SER 84 8.396 -5.600 -14.789 655 HA SER 84 HA SER 84 8.292 -3.583 -16.727 656 1HB SER 84 2HB SER 84 6.369 -2.253 -15.825 657 2HB SER 84 1HB SER 84 5.886 -3.747 -16.626 658 HG SER 84 HG SER 84 4.882 -3.282 -14.528 659 H VAL 85 H VAL 85 10.324 -3.254 -15.738 660 HA VAL 85 HA VAL 85 10.397 -2.391 -12.964 661 HB VAL 85 HB VAL 85 12.828 -2.219 -13.281 662 1HG1 VAL 85 1HG1 VAL 85 11.586 -4.789 -14.254 663 2HG1 VAL 85 2HG1 VAL 85 11.937 -4.342 -12.585 664 3HG1 VAL 85 3HG1 VAL 85 13.259 -4.622 -13.719 665 1HG2 VAL 85 1HG2 VAL 85 13.354 -3.460 -15.686 666 2HG2 VAL 85 2HG2 VAL 85 13.549 -1.742 -15.342 667 3HG2 VAL 85 3HG2 VAL 85 12.062 -2.329 -16.088 668 H ASP 86 H ASP 86 9.344 -0.857 -15.550 669 HA ASP 86 HA ASP 86 10.801 1.644 -15.064 670 1HB ASP 86 2HB ASP 86 8.916 0.913 -17.315 671 2HB ASP 86 1HB ASP 86 9.798 2.431 -17.165 672 H THR 87 H THR 87 8.107 0.116 -13.953 673 HA THR 87 HA THR 87 6.421 2.495 -13.852 674 HB THR 87 HB THR 87 5.637 -0.010 -14.189 675 HG1 THR 87 1HG THR 87 4.234 1.680 -12.403 676 1HG2 THR 87 1HG2 THR 87 6.673 -0.613 -11.886 677 2HG2 THR 87 2HG2 THR 87 5.093 -1.255 -12.334 678 3HG2 THR 87 3HG2 THR 87 5.207 0.124 -11.240 679 H ALA 88 H ALA 88 8.375 0.428 -11.832 680 HA ALA 88 HA ALA 88 7.735 1.449 -9.312 681 1HB ALA 88 1HB ALA 88 9.973 0.622 -8.649 682 2HB ALA 88 2HB ALA 88 10.343 0.346 -10.351 683 3HB ALA 88 3HB ALA 88 9.050 -0.565 -9.572 684 H VAL 89 H VAL 89 10.461 2.270 -11.423 685 HA VAL 89 HA VAL 89 11.428 4.422 -9.940 686 HB VAL 89 HB VAL 89 12.635 5.097 -11.932 687 1HG1 VAL 89 1HG1 VAL 89 12.423 2.097 -11.705 688 2HG1 VAL 89 2HG1 VAL 89 13.461 3.148 -10.741 689 3HG1 VAL 89 3HG1 VAL 89 13.747 2.974 -12.472 690 1HG2 VAL 89 1HG2 VAL 89 12.085 3.468 -13.992 691 2HG2 VAL 89 2HG2 VAL 89 11.346 5.057 -13.797 692 3HG2 VAL 89 3HG2 VAL 89 10.472 3.611 -13.294 693 H LYS 90 H LYS 90 8.772 4.230 -12.208 694 HA LYS 90 HA LYS 90 8.533 7.064 -12.570 695 1HB LYS 90 2HB LYS 90 7.744 5.438 -14.252 696 2HB LYS 90 1HB LYS 90 6.518 4.884 -13.119 697 1HG LYS 90 2HG LYS 90 5.410 7.004 -13.179 698 2HG LYS 90 1HG LYS 90 6.716 7.709 -14.135 699 1HD LYS 90 2HD LYS 90 5.240 5.320 -15.159 700 2HD LYS 90 1HD LYS 90 4.523 6.925 -15.305 701 1HE LYS 90 2HE LYS 90 5.683 6.581 -17.321 702 2HE LYS 90 1HE LYS 90 6.717 7.644 -16.366 703 1HZ LYS 90 1HZ LYS 90 7.654 5.518 -17.568 704 2HZ LYS 90 2HZ LYS 90 7.152 4.761 -16.140 705 3HZ LYS 90 3HZ LYS 90 8.269 6.030 -16.078 706 H ALA 91 H ALA 91 7.648 4.916 -10.084 707 HA ALA 91 HA ALA 91 5.664 6.834 -9.057 708 1HB ALA 91 1HB ALA 91 4.847 4.941 -7.655 709 2HB ALA 91 2HB ALA 91 5.965 3.884 -8.518 710 3HB ALA 91 3HB ALA 91 4.658 4.688 -9.390 711 H ILE 92 H ILE 92 8.365 4.743 -8.096 712 HA ILE 92 HA ILE 92 8.502 5.678 -5.429 713 HB ILE 92 HB ILE 92 10.412 4.390 -5.160 714 1HG1 ILE 92 2HG1 ILE 92 10.972 4.771 -8.110 715 2HG1 ILE 92 1HG1 ILE 92 11.867 5.475 -6.770 716 1HG2 ILE 92 1HG2 ILE 92 9.794 2.696 -7.405 717 2HG2 ILE 92 2HG2 ILE 92 8.318 3.312 -6.663 718 3HG2 ILE 92 3HG2 ILE 92 9.497 2.438 -5.687 719 1HD1 ILE 92 1HD1 ILE 92 13.228 3.738 -6.800 720 2HD1 ILE 92 2HD1 ILE 92 12.281 2.995 -8.088 721 3HD1 ILE 92 3HD1 ILE 92 11.877 2.679 -6.401 722 H LYS 93 H LYS 93 10.568 6.725 -4.576 723 HA LYS 93 HA LYS 93 12.026 8.464 -4.452 724 1HB LYS 93 2HB LYS 93 11.993 7.887 -7.291 725 2HB LYS 93 1HB LYS 93 12.182 9.611 -7.001 726 1HG LYS 93 2HG LYS 93 13.945 8.606 -5.214 727 2HG LYS 93 1HG LYS 93 14.030 7.388 -6.488 728 1HD LYS 93 2HD LYS 93 14.335 9.306 -8.115 729 2HD LYS 93 1HD LYS 93 14.562 10.343 -6.705 730 1HE LYS 93 2HE LYS 93 16.732 9.804 -6.991 731 2HE LYS 93 1HE LYS 93 16.272 8.352 -6.104 732 1HZ LYS 93 1HZ LYS 93 17.499 7.764 -8.072 733 2HZ LYS 93 2HZ LYS 93 16.430 8.629 -9.057 734 3HZ LYS 93 3HZ LYS 93 15.897 7.245 -8.244 735 H LYS 94 H LYS 94 9.247 9.046 -6.581 736 HA LYS 94 HA LYS 94 9.063 11.817 -6.112 737 1HB LYS 94 2HB LYS 94 7.680 9.890 -7.622 738 2HB LYS 94 1HB LYS 94 6.484 10.677 -6.602 739 1HG LYS 94 2HG LYS 94 6.573 12.580 -7.765 740 2HG LYS 94 1HG LYS 94 8.333 12.535 -7.885 741 1HD LYS 94 2HD LYS 94 6.681 10.637 -9.500 742 2HD LYS 94 1HD LYS 94 6.873 12.308 -10.035 743 1HE LYS 94 2HE LYS 94 9.432 11.343 -9.290 744 2HE LYS 94 1HE LYS 94 8.679 10.122 -10.314 745 1HZ LYS 94 1HZ LYS 94 9.989 11.883 -11.497 746 2HZ LYS 94 2HZ LYS 94 8.789 12.989 -11.052 747 3HZ LYS 94 3HZ LYS 94 8.403 11.675 -12.047 748 H GLY 95 H GLY 95 8.351 9.140 -4.135 749 1HA GLY 95 2HA GLY 95 7.823 10.534 -1.833 750 2HA GLY 95 1HA GLY 95 6.251 10.316 -2.588 751 H ALA 96 H ALA 96 7.058 7.729 -3.767 752 HA ALA 96 HA ALA 96 6.107 6.025 -1.766 753 1HB ALA 96 1HB ALA 96 6.089 4.453 -3.371 754 2HB ALA 96 2HB ALA 96 7.768 4.750 -3.823 755 3HB ALA 96 3HB ALA 96 6.489 5.796 -4.442 756 H TYR 97 H TYR 97 7.500 3.866 -1.387 757 HA TYR 97 HA TYR 97 10.031 4.760 -0.173 758 1HB TYR 97 2HB TYR 97 8.325 4.193 1.482 759 2HB TYR 97 1HB TYR 97 8.128 2.603 0.759 760 HD1 TYR 97 1HD TYR 97 10.685 4.774 2.386 761 HD2 TYR 97 2HD TYR 97 9.378 0.810 1.561 762 HE1 TYR 97 1HE TYR 97 12.436 3.894 3.871 763 HE2 TYR 97 2HE TYR 97 11.124 -0.081 3.044 764 HH TYR 97 HH TYR 97 13.237 0.560 3.996 765 H GLU 98 H GLU 98 9.543 3.695 -2.850 766 HA GLU 98 HA GLU 98 10.883 2.526 -4.297 767 1HB GLU 98 2HB GLU 98 12.774 1.468 -3.629 768 2HB GLU 98 1HB GLU 98 12.444 2.331 -2.137 769 1HG GLU 98 2HG GLU 98 11.077 0.089 -1.636 770 2HG GLU 98 1HG GLU 98 12.289 -0.557 -2.742 771 H PHE 99 H PHE 99 10.838 0.443 -5.342 772 HA PHE 99 HA PHE 99 8.319 -0.904 -4.852 773 1HB PHE 99 2HB PHE 99 10.065 -0.473 -7.108 774 2HB PHE 99 1HB PHE 99 9.669 -2.180 -6.965 775 HD1 PHE 99 1HD PHE 99 7.992 -2.790 -8.386 776 HD2 PHE 99 2HD PHE 99 7.771 1.000 -6.464 777 HE1 PHE 99 1HE PHE 99 5.820 -2.376 -9.465 778 HE2 PHE 99 2HE PHE 99 5.595 1.421 -7.538 779 HZ PHE 99 HZ PHE 99 4.618 -0.269 -9.038 780 H LEU 100 H LEU 100 8.462 -2.281 -3.151 781 HA LEU 100 HA LEU 100 10.733 -3.878 -2.581 782 1HB LEU 100 2HB LEU 100 9.254 -3.225 -0.823 783 2HB LEU 100 1HB LEU 100 7.874 -3.927 -1.643 784 HG LEU 100 HG LEU 100 8.753 -6.167 -1.262 785 1HD1 LEU 100 1HD1 LEU 100 10.756 -6.616 -0.143 786 2HD1 LEU 100 2HD1 LEU 100 10.925 -4.950 0.409 787 3HD1 LEU 100 3HD1 LEU 100 11.170 -5.345 -1.292 788 1HD2 LEU 100 1HD2 LEU 100 8.971 -5.605 1.440 789 2HD2 LEU 100 2HD2 LEU 100 7.489 -5.953 0.551 790 3HD2 LEU 100 3HD2 LEU 100 7.996 -4.282 0.800 791 H GLU 101 H GLU 101 11.267 -5.866 -3.276 792 HA GLU 101 HA GLU 101 9.939 -7.039 -5.478 793 1HB GLU 101 2HB GLU 101 11.976 -8.267 -3.608 794 2HB GLU 101 1HB GLU 101 11.518 -8.902 -5.182 795 1HG GLU 101 2HG GLU 101 12.389 -6.121 -5.259 796 2HG GLU 101 1HG GLU 101 13.624 -7.237 -4.681 797 H LYS 102 H LYS 102 9.778 -9.738 -5.035 798 HA LYS 102 HA LYS 102 7.900 -10.046 -2.803 799 1HB LYS 102 2HB LYS 102 7.376 -10.537 -5.708 800 2HB LYS 102 1HB LYS 102 6.562 -11.524 -4.502 801 1HG LYS 102 2HG LYS 102 6.486 -8.555 -4.248 802 2HG LYS 102 1HG LYS 102 5.440 -9.359 -5.420 803 1HD LYS 102 2HD LYS 102 4.003 -9.727 -3.759 804 2HD LYS 102 1HD LYS 102 5.179 -10.851 -3.077 805 1HE LYS 102 2HE LYS 102 5.435 -7.926 -2.531 806 2HE LYS 102 1HE LYS 102 4.251 -8.878 -1.637 807 1HZ LYS 102 1HZ LYS 102 6.469 -10.395 -1.458 808 2HZ LYS 102 2HZ LYS 102 5.957 -9.297 -0.279 809 3HZ LYS 102 3HZ LYS 102 7.124 -8.835 -1.412 810 HA PRO 103 HA PRO 103 10.771 -13.753 -3.522 811 1HB PRO 103 2HB PRO 103 12.735 -13.302 -1.759 812 2HB PRO 103 1HB PRO 103 12.773 -12.592 -3.379 813 1HG PRO 103 2HG PRO 103 11.954 -11.339 -0.783 814 2HG PRO 103 1HG PRO 103 12.971 -10.671 -2.074 815 1HD PRO 103 2HD PRO 103 10.318 -10.074 -1.781 816 2HD PRO 103 1HD PRO 103 11.167 -10.047 -3.338 817 H PHE 104 H PHE 104 10.390 -15.565 -2.356 818 HA PHE 104 HA PHE 104 9.580 -16.933 -0.730 819 1HB PHE 104 2HB PHE 104 11.533 -15.388 0.447 820 2HB PHE 104 1HB PHE 104 10.167 -15.175 1.538 821 HD1 PHE 104 1HD PHE 104 12.733 -17.417 0.355 822 HD2 PHE 104 2HD PHE 104 9.133 -17.161 2.609 823 HE1 PHE 104 1HE PHE 104 13.230 -19.595 1.389 824 HE2 PHE 104 2HE PHE 104 9.623 -19.338 3.648 825 HZ PHE 104 HZ PHE 104 11.673 -20.558 3.036 826 H SER 105 H SER 105 7.754 -15.096 -1.893 827 HA SER 105 HA SER 105 5.586 -14.453 -1.655 828 1HB SER 105 2HB SER 105 5.298 -15.402 1.133 829 2HB SER 105 1HB SER 105 4.277 -15.701 -0.273 830 HG SER 105 HG SER 105 5.666 -17.295 -0.933 831 H VAL 106 H VAL 106 4.109 -13.445 0.385 832 HA VAL 106 HA VAL 106 5.119 -10.835 0.669 833 HB VAL 106 HB VAL 106 2.724 -11.317 0.687 834 1HG1 VAL 106 1HG1 VAL 106 1.979 -12.084 3.159 835 2HG1 VAL 106 2HG1 VAL 106 3.481 -12.994 2.987 836 3HG1 VAL 106 3HG1 VAL 106 2.186 -13.196 1.806 837 1HG2 VAL 106 1HG2 VAL 106 3.601 -10.076 3.292 838 2HG2 VAL 106 2HG2 VAL 106 2.073 -9.806 2.454 839 3HG2 VAL 106 3HG2 VAL 106 3.583 -9.252 1.734 840 H GLU 107 H GLU 107 5.651 -13.672 2.552 841 HA GLU 107 HA GLU 107 6.023 -12.822 5.100 842 1HB GLU 107 2HB GLU 107 6.351 -15.136 4.289 843 2HB GLU 107 1HB GLU 107 7.882 -14.649 3.573 844 1HG GLU 107 2HG GLU 107 8.747 -14.091 5.763 845 2HG GLU 107 1HG GLU 107 7.206 -14.534 6.494 846 H ARG 108 H ARG 108 8.091 -12.204 2.331 847 HA ARG 108 HA ARG 108 10.232 -11.065 3.856 848 1HB ARG 108 2HB ARG 108 10.440 -12.076 1.540 849 2HB ARG 108 1HB ARG 108 9.658 -10.626 0.925 850 1HG ARG 108 2HG ARG 108 11.986 -10.179 2.671 851 2HG ARG 108 1HG ARG 108 12.320 -10.933 1.110 852 1HD ARG 108 2HD ARG 108 10.485 -8.770 0.743 853 2HD ARG 108 1HD ARG 108 11.872 -8.202 1.672 854 HE ARG 108 HE ARG 108 11.828 -8.828 -1.089 855 1HH1 ARG 108 1HH1 ARG 108 13.856 -9.062 1.743 856 2HH1 ARG 108 2HH1 ARG 108 15.334 -9.029 0.840 857 1HH2 ARG 108 1HH2 ARG 108 13.771 -8.786 -2.277 858 2HH2 ARG 108 2HH2 ARG 108 15.285 -8.871 -1.441 859 H PHE 109 H PHE 109 7.425 -9.845 2.114 860 HA PHE 109 HA PHE 109 7.966 -7.119 2.180 861 1HB PHE 109 2HB PHE 109 6.119 -7.702 0.879 862 2HB PHE 109 1HB PHE 109 5.436 -8.732 2.129 863 HD1 PHE 109 1HD PHE 109 5.646 -5.359 0.798 864 HD2 PHE 109 2HD PHE 109 4.209 -7.751 4.010 865 HE1 PHE 109 1HE PHE 109 4.152 -3.529 1.486 866 HE2 PHE 109 2HE PHE 109 2.711 -5.928 4.705 867 HZ PHE 109 HZ PHE 109 2.683 -3.812 3.443 868 H LEU 110 H LEU 110 6.940 -9.283 4.697 869 HA LEU 110 HA LEU 110 5.811 -7.646 6.577 870 1HB LEU 110 2HB LEU 110 6.833 -10.201 6.526 871 2HB LEU 110 1HB LEU 110 7.805 -9.403 7.746 872 HG LEU 110 HG LEU 110 4.831 -9.157 7.868 873 1HD1 LEU 110 1HD1 LEU 110 4.997 -11.193 9.444 874 2HD1 LEU 110 2HD1 LEU 110 6.456 -11.580 8.531 875 3HD1 LEU 110 3HD1 LEU 110 4.903 -11.470 7.704 876 1HD2 LEU 110 1HD2 LEU 110 7.156 -8.720 9.611 877 2HD2 LEU 110 2HD2 LEU 110 5.761 -9.468 10.389 878 3HD2 LEU 110 3HD2 LEU 110 5.590 -7.910 9.579 879 H LEU 111 H LEU 111 9.219 -8.004 5.794 880 HA LEU 111 HA LEU 111 10.324 -6.521 7.881 881 1HB LEU 111 2HB LEU 111 11.213 -7.035 5.066 882 2HB LEU 111 1HB LEU 111 12.162 -6.040 6.157 883 HG LEU 111 HG LEU 111 12.407 -7.916 7.697 884 1HD1 LEU 111 1HD1 LEU 111 10.689 -9.363 5.697 885 2HD1 LEU 111 2HD1 LEU 111 10.379 -9.108 7.414 886 3HD1 LEU 111 3HD1 LEU 111 11.677 -10.187 6.903 887 1HD2 LEU 111 1HD2 LEU 111 13.272 -8.081 4.874 888 2HD2 LEU 111 2HD2 LEU 111 13.500 -9.523 5.864 889 3HD2 LEU 111 3HD2 LEU 111 14.229 -7.993 6.353 890 H THR 112 H THR 112 9.597 -5.400 4.569 891 HA THR 112 HA THR 112 10.190 -2.748 4.807 892 HB THR 112 HB THR 112 7.885 -4.018 3.321 893 HG1 THR 112 1HG THR 112 10.094 -4.603 2.778 894 1HG2 THR 112 1HG2 THR 112 8.665 -1.773 1.914 895 2HG2 THR 112 2HG2 THR 112 8.557 -1.219 3.585 896 3HG2 THR 112 3HG2 THR 112 7.165 -1.984 2.817 897 H ILE 113 H ILE 113 7.172 -4.327 5.806 898 HA ILE 113 HA ILE 113 5.697 -2.091 6.541 899 HB ILE 113 HB ILE 113 5.762 -4.885 7.669 900 1HG1 ILE 113 2HG1 ILE 113 4.872 -4.549 5.387 901 2HG1 ILE 113 1HG1 ILE 113 3.634 -5.109 6.507 902 1HG2 ILE 113 1HG2 ILE 113 3.967 -2.611 8.493 903 2HG2 ILE 113 2HG2 ILE 113 5.060 -3.547 9.514 904 3HG2 ILE 113 3HG2 ILE 113 3.625 -4.309 8.828 905 1HD1 ILE 113 1HD1 ILE 113 3.567 -2.296 6.558 906 2HD1 ILE 113 2HD1 ILE 113 2.366 -3.408 5.901 907 3HD1 ILE 113 3HD1 ILE 113 3.652 -2.786 4.866 908 H LYS 114 H LYS 114 7.479 -4.166 8.825 909 HA LYS 114 HA LYS 114 7.425 -2.405 10.984 910 1HB LYS 114 2HB LYS 114 8.003 -4.740 11.268 911 2HB LYS 114 1HB LYS 114 9.445 -4.541 10.282 912 1HG LYS 114 2HG LYS 114 9.223 -2.807 12.663 913 2HG LYS 114 1HG LYS 114 9.481 -4.528 12.950 914 1HD LYS 114 2HD LYS 114 11.620 -4.390 12.337 915 2HD LYS 114 1HD LYS 114 11.203 -3.545 10.844 916 1HE LYS 114 2HE LYS 114 12.188 -1.752 11.725 917 2HE LYS 114 1HE LYS 114 10.810 -1.644 12.817 918 1HZ LYS 114 1HZ LYS 114 12.951 -1.624 13.983 919 2HZ LYS 114 2HZ LYS 114 13.299 -3.164 13.377 920 3HZ LYS 114 3HZ LYS 114 11.998 -2.946 14.436 921 H HIS 115 H HIS 115 9.202 -2.198 8.087 922 HA HIS 115 HA HIS 115 11.289 -0.509 9.208 923 1HB HIS 115 2HB HIS 115 10.748 -1.439 6.386 924 2HB HIS 115 1HB HIS 115 12.091 -0.395 6.842 925 HD1 HIS 115 1HD HIS 115 12.468 -2.188 9.584 926 HD2 HIS 115 2HD HIS 115 12.626 -3.422 5.620 927 HE1 HIS 115 1HE HIS 115 13.835 -4.299 9.591 928 HE2 HIS 115 2HE HIS 115 13.992 -4.977 7.170 929 H ALA 116 H ALA 116 8.269 -0.278 7.533 930 HA ALA 116 HA ALA 116 8.594 2.438 6.659 931 1HB ALA 116 1HB ALA 116 6.231 2.291 6.049 932 2HB ALA 116 2HB ALA 116 6.105 0.749 6.894 933 3HB ALA 116 3HB ALA 116 7.130 0.890 5.466 934 H PHE 117 H PHE 117 7.002 0.802 9.359 935 HA PHE 117 HA PHE 117 5.893 3.213 10.445 936 1HB PHE 117 2HB PHE 117 6.140 0.385 11.445 937 2HB PHE 117 1HB PHE 117 5.531 1.671 12.481 938 HD1 PHE 117 1HD PHE 117 3.683 3.189 11.190 939 HD2 PHE 117 2HD PHE 117 4.557 -0.906 10.427 940 HE1 PHE 117 1HE PHE 117 1.435 2.890 10.235 941 HE2 PHE 117 2HE PHE 117 2.310 -1.212 9.472 942 HZ PHE 117 HZ PHE 117 0.747 0.688 9.374 943 H GLU 118 H GLU 118 8.953 1.675 10.605 944 HA GLU 118 HA GLU 118 9.759 2.631 13.161 945 1HB GLU 118 2HB GLU 118 10.744 0.761 11.559 946 2HB GLU 118 1HB GLU 118 11.776 2.092 11.057 947 1HG GLU 118 2HG GLU 118 11.974 2.320 13.729 948 2HG GLU 118 1HG GLU 118 11.717 0.582 13.577 949 H GLU 119 H GLU 119 9.166 4.276 10.316 950 HA GLU 119 HA GLU 119 11.263 6.260 10.703 951 1HB GLU 119 2HB GLU 119 9.052 6.229 8.645 952 2HB GLU 119 1HB GLU 119 10.492 7.239 8.633 953 1HG GLU 119 2HG GLU 119 11.896 5.341 8.251 954 2HG GLU 119 1HG GLU 119 10.539 4.237 8.464 955 H TYR 120 H TYR 120 9.518 6.098 12.853 956 HA TYR 120 HA TYR 120 8.665 8.799 13.065 957 1HB TYR 120 2HB TYR 120 6.801 7.460 11.753 958 2HB TYR 120 1HB TYR 120 6.362 6.918 13.370 959 HD1 TYR 120 1HD TYR 120 5.464 8.480 15.005 960 HD2 TYR 120 2HD TYR 120 6.503 9.774 11.088 961 HE1 TYR 120 1HE TYR 120 4.202 10.560 15.364 962 HE2 TYR 120 2HE TYR 120 5.246 11.858 11.437 963 HH TYR 120 HH TYR 120 3.163 12.502 13.058 964 H SER 121 H SER 121 10.323 6.850 14.454 965 HA SER 121 HA SER 121 9.467 7.425 17.124 966 1HB SER 121 2HB SER 121 8.085 5.469 16.802 967 2HB SER 121 1HB SER 121 9.453 4.553 16.171 968 HG SER 121 HG SER 121 9.128 4.028 18.333 Start of MODEL 3 1 1H MET 1 1HT MET 1 -1.828 0.257 16.953 2 2H MET 1 2HT MET 1 -1.943 1.172 18.400 3 3H MET 1 3HT MET 1 -0.462 0.416 17.974 4 HA MET 1 HA MET 1 -1.799 2.673 16.648 5 1HB MET 1 2HB MET 1 0.282 3.830 17.258 6 2HB MET 1 1HB MET 1 -0.534 3.190 18.677 7 1HG MET 1 2HG MET 1 1.095 1.667 19.105 8 2HG MET 1 1HG MET 1 1.536 1.495 17.407 9 1HE MET 1 1HE MET 1 0.970 4.181 19.861 10 2HE MET 1 2HE MET 1 1.797 5.467 18.982 11 3HE MET 1 3HE MET 1 2.577 4.703 20.367 12 H LYS 2 H LYS 2 -1.773 0.657 14.983 13 HA LYS 2 HA LYS 2 0.197 1.389 13.031 14 1HB LYS 2 2HB LYS 2 0.599 -0.953 14.677 15 2HB LYS 2 1HB LYS 2 0.512 -1.364 12.971 16 1HG LYS 2 2HG LYS 2 2.710 -0.921 13.026 17 2HG LYS 2 1HG LYS 2 2.168 0.751 12.860 18 1HD LYS 2 2HD LYS 2 3.057 1.269 14.831 19 2HD LYS 2 1HD LYS 2 2.103 0.012 15.622 20 1HE LYS 2 2HE LYS 2 4.484 -0.323 16.014 21 2HE LYS 2 1HE LYS 2 3.811 -1.643 15.056 22 1HZ LYS 2 1HZ LYS 2 6.037 -0.568 14.358 23 2HZ LYS 2 2HZ LYS 2 5.065 0.653 13.707 24 3HZ LYS 2 3HZ LYS 2 4.894 -0.941 13.168 25 H ARG 3 H ARG 3 -0.833 1.445 11.152 26 HA ARG 3 HA ARG 3 -2.751 -0.649 10.480 27 1HB ARG 3 2HB ARG 3 -3.506 2.241 10.107 28 2HB ARG 3 1HB ARG 3 -4.531 0.821 9.955 29 1HG ARG 3 2HG ARG 3 -5.218 1.589 11.982 30 2HG ARG 3 1HG ARG 3 -3.916 0.516 12.496 31 1HD ARG 3 2HD ARG 3 -2.386 2.428 12.589 32 2HD ARG 3 1HD ARG 3 -3.692 3.496 12.081 33 HE ARG 3 HE ARG 3 -4.325 2.002 14.442 34 1HH1 ARG 3 1HH1 ARG 3 -2.711 4.852 13.240 35 2HH1 ARG 3 2HH1 ARG 3 -2.850 5.715 14.736 36 1HH2 ARG 3 1HH2 ARG 3 -4.510 3.134 16.409 37 2HH2 ARG 3 2HH2 ARG 3 -3.872 4.739 16.535 38 H VAL 4 H VAL 4 -2.653 -1.222 8.373 39 HA VAL 4 HA VAL 4 -1.253 0.598 6.527 40 HB VAL 4 HB VAL 4 -1.000 -2.410 6.469 41 1HG1 VAL 4 1HG1 VAL 4 0.138 -0.163 4.869 42 2HG1 VAL 4 2HG1 VAL 4 -0.520 -1.706 4.327 43 3HG1 VAL 4 3HG1 VAL 4 1.074 -1.641 5.080 44 1HG2 VAL 4 1HG2 VAL 4 1.058 -0.434 7.441 45 2HG2 VAL 4 2HG2 VAL 4 1.170 -2.194 7.454 46 3HG2 VAL 4 3HG2 VAL 4 0.018 -1.376 8.509 47 H LEU 5 H LEU 5 -1.761 0.211 4.230 48 HA LEU 5 HA LEU 5 -4.494 -0.834 3.894 49 1HB LEU 5 2HB LEU 5 -4.332 1.628 3.717 50 2HB LEU 5 1HB LEU 5 -3.190 1.441 2.400 51 HG LEU 5 HG LEU 5 -4.981 0.250 1.111 52 1HD1 LEU 5 1HD1 LEU 5 -7.196 0.203 1.831 53 2HD1 LEU 5 2HD1 LEU 5 -6.905 1.383 3.109 54 3HD1 LEU 5 3HD1 LEU 5 -6.277 -0.258 3.263 55 1HD2 LEU 5 1HD2 LEU 5 -5.213 3.108 1.962 56 2HD2 LEU 5 2HD2 LEU 5 -6.368 2.416 0.824 57 3HD2 LEU 5 3HD2 LEU 5 -4.649 2.440 0.431 58 H VAL 6 H VAL 6 -4.884 -2.229 2.260 59 HA VAL 6 HA VAL 6 -2.607 -2.879 0.494 60 HB VAL 6 HB VAL 6 -4.775 -4.809 1.295 61 1HG1 VAL 6 1HG1 VAL 6 -2.356 -4.908 -0.386 62 2HG1 VAL 6 2HG1 VAL 6 -3.861 -5.822 -0.502 63 3HG1 VAL 6 3HG1 VAL 6 -2.627 -6.299 0.665 64 1HG2 VAL 6 1HG2 VAL 6 -2.941 -5.804 2.754 65 2HG2 VAL 6 2HG2 VAL 6 -3.715 -4.331 3.340 66 3HG2 VAL 6 3HG2 VAL 6 -2.121 -4.250 2.588 67 H VAL 7 H VAL 7 -3.252 -1.525 -1.194 68 HA VAL 7 HA VAL 7 -5.905 -1.841 -2.330 69 HB VAL 7 HB VAL 7 -3.611 -0.219 -3.435 70 1HG1 VAL 7 1HG1 VAL 7 -5.922 -0.882 -4.658 71 2HG1 VAL 7 2HG1 VAL 7 -5.052 0.624 -4.950 72 3HG1 VAL 7 3HG1 VAL 7 -6.414 0.596 -3.829 73 1HG2 VAL 7 1HG2 VAL 7 -5.701 0.500 -1.394 74 2HG2 VAL 7 2HG2 VAL 7 -4.822 1.710 -2.329 75 3HG2 VAL 7 3HG2 VAL 7 -3.947 0.621 -1.251 76 H ASP 8 H ASP 8 -6.197 -3.703 -3.407 77 HA ASP 8 HA ASP 8 -4.386 -4.270 -5.636 78 1HB ASP 8 2HB ASP 8 -3.657 -5.718 -3.790 79 2HB ASP 8 1HB ASP 8 -5.294 -6.343 -3.625 80 H ASP 9 H ASP 9 -5.387 -4.992 -7.451 81 HA ASP 9 HA ASP 9 -8.293 -4.968 -7.430 82 1HB ASP 9 2HB ASP 9 -7.093 -3.692 -9.155 83 2HB ASP 9 1HB ASP 9 -6.347 -5.174 -9.742 84 H GLU 10 H GLU 10 -7.481 -7.128 -6.051 85 HA GLU 10 HA GLU 10 -8.767 -9.261 -7.303 86 1HB GLU 10 2HB GLU 10 -6.349 -9.016 -8.464 87 2HB GLU 10 1HB GLU 10 -5.910 -10.036 -7.100 88 1HG GLU 10 2HG GLU 10 -6.437 -11.320 -9.124 89 2HG GLU 10 1HG GLU 10 -7.502 -11.709 -7.774 90 H GLU 11 H GLU 11 -8.459 -11.349 -6.060 91 HA GLU 11 HA GLU 11 -7.992 -10.689 -3.233 92 1HB GLU 11 2HB GLU 11 -10.281 -11.505 -4.071 93 2HB GLU 11 1HB GLU 11 -9.520 -13.081 -4.240 94 1HG GLU 11 2HG GLU 11 -8.878 -12.136 -1.665 95 2HG GLU 11 1HG GLU 11 -10.598 -11.840 -1.912 96 H SER 12 H SER 12 -5.675 -11.097 -4.397 97 HA SER 12 HA SER 12 -4.971 -13.913 -3.897 98 1HB SER 12 2HB SER 12 -3.416 -11.876 -5.507 99 2HB SER 12 1HB SER 12 -3.058 -13.597 -5.357 100 HG SER 12 HG SER 12 -5.355 -12.439 -6.557 101 H ILE 13 H ILE 13 -3.574 -10.641 -3.629 102 HA ILE 13 HA ILE 13 -1.699 -11.498 -1.619 103 HB ILE 13 HB ILE 13 -2.361 -8.761 -2.713 104 1HG1 ILE 13 2HG1 ILE 13 -0.098 -8.961 -3.718 105 2HG1 ILE 13 1HG1 ILE 13 0.018 -10.596 -3.076 106 1HG2 ILE 13 1HG2 ILE 13 -0.576 -9.586 -0.479 107 2HG2 ILE 13 2HG2 ILE 13 -1.573 -8.142 -0.654 108 3HG2 ILE 13 3HG2 ILE 13 -0.054 -8.279 -1.540 109 1HD1 ILE 13 1HD1 ILE 13 -0.651 -10.284 -5.525 110 2HD1 ILE 13 2HD1 ILE 13 -2.226 -9.810 -4.887 111 3HD1 ILE 13 3HD1 ILE 13 -1.580 -11.416 -4.542 112 H THR 14 H THR 14 -4.788 -9.856 -1.722 113 HA THR 14 HA THR 14 -4.845 -8.799 0.866 114 HB THR 14 HB THR 14 -7.341 -8.923 0.610 115 HG1 THR 14 1HG THR 14 -8.161 -9.746 -1.289 116 1HG2 THR 14 1HG2 THR 14 -5.937 -7.065 -0.369 117 2HG2 THR 14 2HG2 THR 14 -7.530 -7.313 -1.082 118 3HG2 THR 14 3HG2 THR 14 -6.091 -7.899 -1.914 119 H SER 15 H SER 15 -5.016 -12.059 -0.199 120 HA SER 15 HA SER 15 -6.302 -12.996 2.235 121 1HB SER 15 2HB SER 15 -6.241 -15.192 1.224 122 2HB SER 15 1HB SER 15 -6.805 -14.035 0.018 123 HG SER 15 HG SER 15 -5.238 -15.401 -0.871 124 H SER 16 H SER 16 -3.116 -12.656 0.895 125 HA SER 16 HA SER 16 -1.958 -14.335 2.993 126 1HB SER 16 2HB SER 16 -0.178 -12.952 1.072 127 2HB SER 16 1HB SER 16 -0.144 -14.620 1.645 128 HG SER 16 HG SER 16 -2.116 -14.857 0.292 129 H LEU 17 H LEU 17 -1.206 -11.143 1.578 130 HA LEU 17 HA LEU 17 0.407 -10.198 3.608 131 1HB LEU 17 2HB LEU 17 -0.020 -9.151 1.359 132 2HB LEU 17 1HB LEU 17 -1.519 -8.516 2.005 133 HG LEU 17 HG LEU 17 0.630 -7.026 1.901 134 1HD1 LEU 17 1HD1 LEU 17 -0.839 -5.716 2.899 135 2HD1 LEU 17 2HD1 LEU 17 -0.307 -6.366 4.447 136 3HD1 LEU 17 3HD1 LEU 17 -1.674 -7.098 3.606 137 1HD2 LEU 17 1HD2 LEU 17 2.165 -7.167 3.595 138 2HD2 LEU 17 2HD2 LEU 17 1.819 -8.875 3.336 139 3HD2 LEU 17 3HD2 LEU 17 1.061 -8.017 4.676 140 H SER 18 H SER 18 -3.111 -9.754 3.265 141 HA SER 18 HA SER 18 -3.584 -8.235 5.528 142 1HB SER 18 2HB SER 18 -5.232 -8.929 3.699 143 2HB SER 18 1HB SER 18 -5.456 -10.417 4.618 144 HG SER 18 HG SER 18 -6.056 -7.763 5.376 145 H ALA 19 H ALA 19 -3.927 -11.785 5.305 146 HA ALA 19 HA ALA 19 -4.400 -12.320 7.973 147 1HB ALA 19 1HB ALA 19 -4.678 -14.203 6.738 148 2HB ALA 19 2HB ALA 19 -3.043 -14.524 7.318 149 3HB ALA 19 3HB ALA 19 -3.292 -13.861 5.702 150 H ILE 20 H ILE 20 -1.320 -11.863 6.324 151 HA ILE 20 HA ILE 20 0.402 -12.639 8.377 152 HB ILE 20 HB ILE 20 0.657 -10.804 6.032 153 1HG1 ILE 20 2HG1 ILE 20 2.206 -13.238 6.931 154 2HG1 ILE 20 1HG1 ILE 20 0.873 -13.246 5.781 155 1HG2 ILE 20 1HG2 ILE 20 3.177 -10.705 6.787 156 2HG2 ILE 20 2HG2 ILE 20 2.462 -10.827 8.394 157 3HG2 ILE 20 3HG2 ILE 20 2.011 -9.497 7.326 158 1HD1 ILE 20 1HD1 ILE 20 3.578 -11.985 5.439 159 2HD1 ILE 20 2HD1 ILE 20 2.230 -11.738 4.329 160 3HD1 ILE 20 3HD1 ILE 20 2.901 -13.353 4.555 161 H LEU 21 H LEU 21 -0.634 -9.315 7.564 162 HA LEU 21 HA LEU 21 0.504 -7.952 9.652 163 1HB LEU 21 2HB LEU 21 -2.281 -7.452 8.628 164 2HB LEU 21 1HB LEU 21 -1.196 -6.286 9.358 165 HG LEU 21 HG LEU 21 -0.035 -7.561 7.012 166 1HD1 LEU 21 1HD1 LEU 21 -1.703 -7.424 5.570 167 2HD1 LEU 21 2HD1 LEU 21 -1.851 -5.701 5.904 168 3HD1 LEU 21 3HD1 LEU 21 -2.783 -6.865 6.842 169 1HD2 LEU 21 1HD2 LEU 21 -0.292 -4.891 8.247 170 2HD2 LEU 21 2HD2 LEU 21 -0.046 -4.938 6.501 171 3HD2 LEU 21 3HD2 LEU 21 1.122 -5.706 7.577 172 H GLU 22 H GLU 22 -2.493 -9.816 9.654 173 HA GLU 22 HA GLU 22 -3.412 -9.113 12.205 174 1HB GLU 22 2HB GLU 22 -3.825 -11.535 10.480 175 2HB GLU 22 1HB GLU 22 -4.551 -11.414 12.077 176 1HG GLU 22 2HG GLU 22 -5.699 -9.365 11.393 177 2HG GLU 22 1HG GLU 22 -4.986 -9.511 9.787 178 H GLU 23 H GLU 23 -0.920 -11.314 11.161 179 HA GLU 23 HA GLU 23 -0.718 -12.645 13.714 180 1HB GLU 23 2HB GLU 23 -0.110 -13.994 11.881 181 2HB GLU 23 1HB GLU 23 0.854 -12.721 11.150 182 1HG GLU 23 2HG GLU 23 2.685 -13.333 12.243 183 2HG GLU 23 1HG GLU 23 1.826 -13.488 13.774 184 H GLU 24 H GLU 24 0.840 -10.017 12.005 185 HA GLU 24 HA GLU 24 2.978 -9.710 13.887 186 1HB GLU 24 2HB GLU 24 1.960 -7.778 11.796 187 2HB GLU 24 1HB GLU 24 3.490 -7.654 12.655 188 1HG GLU 24 2HG GLU 24 2.908 -10.130 11.113 189 2HG GLU 24 1HG GLU 24 3.360 -8.664 10.243 190 H GLY 25 H GLY 25 0.454 -7.350 13.002 191 1HA GLY 25 2HA GLY 25 -0.947 -6.907 15.192 192 2HA GLY 25 1HA GLY 25 0.603 -6.251 15.692 193 H TYR 26 H TYR 26 -1.420 -6.089 12.760 194 HA TYR 26 HA TYR 26 -1.257 -3.156 12.928 195 1HB TYR 26 2HB TYR 26 -0.996 -4.827 10.422 196 2HB TYR 26 1HB TYR 26 -1.092 -3.073 10.457 197 HD1 TYR 26 1HD TYR 26 0.820 -1.751 10.905 198 HD2 TYR 26 2HD TYR 26 0.996 -5.972 11.400 199 HE1 TYR 26 1HE TYR 26 3.264 -1.617 11.113 200 HE2 TYR 26 2HE TYR 26 3.441 -5.850 11.612 201 HH TYR 26 HH TYR 26 5.278 -4.238 10.847 202 H HIS 27 H HIS 27 -2.806 -2.479 10.814 203 HA HIS 27 HA HIS 27 -5.359 -3.877 11.144 204 1HB HIS 27 2HB HIS 27 -4.836 -1.496 12.430 205 2HB HIS 27 1HB HIS 27 -5.620 -0.958 10.949 206 HD1 HIS 27 1HD HIS 27 -8.087 -0.868 11.074 207 HD2 HIS 27 2HD HIS 27 -6.504 -3.592 13.782 208 HE1 HIS 27 1HE HIS 27 -10.052 -1.739 12.378 209 HE2 HIS 27 2HE HIS 27 -9.058 -3.313 14.076 210 HA PRO 28 HA PRO 28 -4.528 -3.048 6.727 211 1HB PRO 28 2HB PRO 28 -5.342 -5.433 5.790 212 2HB PRO 28 1HB PRO 28 -3.737 -5.177 6.479 213 1HG PRO 28 2HG PRO 28 -6.139 -6.452 7.693 214 2HG PRO 28 1HG PRO 28 -4.432 -6.883 7.867 215 1HD PRO 28 2HD PRO 28 -5.904 -5.439 9.717 216 2HD PRO 28 1HD PRO 28 -4.135 -5.439 9.603 217 H ASP 29 H ASP 29 -5.883 -2.073 5.442 218 HA ASP 29 HA ASP 29 -8.756 -2.602 5.776 219 1HB ASP 29 2HB ASP 29 -8.025 -0.310 6.419 220 2HB ASP 29 1HB ASP 29 -7.543 -0.044 4.748 221 H THR 30 H THR 30 -6.499 -3.516 3.850 222 HA THR 30 HA THR 30 -6.289 -3.388 1.436 223 HB THR 30 HB THR 30 -6.836 -5.590 0.875 224 HG1 THR 30 1HG THR 30 -8.483 -6.737 1.868 225 1HG2 THR 30 1HG2 THR 30 -5.780 -6.740 2.476 226 2HG2 THR 30 2HG2 THR 30 -6.867 -6.180 3.745 227 3HG2 THR 30 3HG2 THR 30 -5.545 -5.148 3.197 228 H ALA 31 H ALA 31 -7.072 -2.482 -0.287 229 HA ALA 31 HA ALA 31 -9.983 -2.128 -0.535 230 1HB ALA 31 1HB ALA 31 -8.515 -0.081 -0.417 231 2HB ALA 31 2HB ALA 31 -9.583 -0.173 -1.817 232 3HB ALA 31 3HB ALA 31 -7.869 -0.553 -1.988 233 H LYS 32 H LYS 32 -10.105 -1.488 -3.233 234 HA LYS 32 HA LYS 32 -9.310 -4.031 -4.491 235 1HB LYS 32 2HB LYS 32 -11.649 -2.370 -5.391 236 2HB LYS 32 1HB LYS 32 -11.309 -4.061 -5.734 237 1HG LYS 32 2HG LYS 32 -11.728 -4.610 -3.381 238 2HG LYS 32 1HG LYS 32 -12.105 -2.915 -3.068 239 1HD LYS 32 2HD LYS 32 -13.586 -4.759 -4.946 240 2HD LYS 32 1HD LYS 32 -14.147 -4.209 -3.366 241 1HE LYS 32 2HE LYS 32 -15.131 -2.514 -4.423 242 2HE LYS 32 1HE LYS 32 -13.517 -1.870 -4.720 243 1HZ LYS 32 1HZ LYS 32 -14.486 -1.969 -6.812 244 2HZ LYS 32 2HZ LYS 32 -15.223 -3.465 -6.526 245 3HZ LYS 32 3HZ LYS 32 -13.551 -3.378 -6.763 246 H THR 33 H THR 33 -9.577 -0.559 -4.865 247 HA THR 33 HA THR 33 -7.505 -0.547 -6.845 248 HB THR 33 HB THR 33 -10.042 0.724 -7.794 249 HG1 THR 33 1HG THR 33 -10.941 -1.156 -7.918 250 1HG2 THR 33 1HG2 THR 33 -7.450 0.041 -8.922 251 2HG2 THR 33 2HG2 THR 33 -8.649 1.223 -9.450 252 3HG2 THR 33 3HG2 THR 33 -8.811 -0.468 -9.922 253 H LEU 34 H LEU 34 -7.279 1.829 -7.714 254 HA LEU 34 HA LEU 34 -6.723 3.478 -5.549 255 1HB LEU 34 2HB LEU 34 -7.301 4.410 -8.359 256 2HB LEU 34 1HB LEU 34 -6.338 5.239 -7.152 257 HG LEU 34 HG LEU 34 -5.625 2.619 -8.474 258 1HD1 LEU 34 1HD1 LEU 34 -3.926 5.001 -8.789 259 2HD1 LEU 34 2HD1 LEU 34 -5.485 5.057 -9.614 260 3HD1 LEU 34 3HD1 LEU 34 -4.355 3.745 -9.950 261 1HD2 LEU 34 1HD2 LEU 34 -4.668 3.904 -6.065 262 2HD2 LEU 34 2HD2 LEU 34 -3.379 3.712 -7.253 263 3HD2 LEU 34 3HD2 LEU 34 -4.299 2.307 -6.714 264 H ARG 35 H ARG 35 -9.634 3.178 -7.474 265 HA ARG 35 HA ARG 35 -10.919 5.534 -6.601 266 1HB ARG 35 2HB ARG 35 -11.525 3.370 -8.303 267 2HB ARG 35 1HB ARG 35 -12.804 3.409 -7.098 268 1HG ARG 35 2HG ARG 35 -13.743 4.879 -8.503 269 2HG ARG 35 1HG ARG 35 -12.647 6.030 -7.735 270 1HD ARG 35 2HD ARG 35 -12.465 6.277 -10.113 271 2HD ARG 35 1HD ARG 35 -10.981 5.539 -9.513 272 HE ARG 35 HE ARG 35 -11.472 3.648 -10.711 273 1HH1 ARG 35 1HH1 ARG 35 -14.318 5.660 -10.548 274 2HH1 ARG 35 2HH1 ARG 35 -15.208 4.712 -11.690 275 1HH2 ARG 35 1HH2 ARG 35 -12.640 2.399 -12.216 276 2HH2 ARG 35 2HH2 ARG 35 -14.256 2.859 -12.638 277 H GLU 36 H GLU 36 -11.080 2.181 -5.441 278 HA GLU 36 HA GLU 36 -12.838 2.795 -3.278 279 1HB GLU 36 2HB GLU 36 -11.623 0.438 -4.423 280 2HB GLU 36 1HB GLU 36 -11.482 0.408 -2.670 281 1HG GLU 36 2HG GLU 36 -13.486 -0.684 -3.115 282 2HG GLU 36 1HG GLU 36 -13.971 0.938 -2.626 283 H ALA 37 H ALA 37 -9.377 2.727 -3.714 284 HA ALA 37 HA ALA 37 -8.733 2.728 -0.926 285 1HB ALA 37 1HB ALA 37 -6.486 3.665 -2.000 286 2HB ALA 37 2HB ALA 37 -7.229 3.025 -3.466 287 3HB ALA 37 3HB ALA 37 -6.934 1.962 -2.089 288 H GLU 38 H GLU 38 -9.244 5.201 -3.379 289 HA GLU 38 HA GLU 38 -8.305 7.376 -1.809 290 1HB GLU 38 2HB GLU 38 -10.119 7.216 -4.207 291 2HB GLU 38 1HB GLU 38 -9.716 8.742 -3.433 292 1HG GLU 38 2HG GLU 38 -7.443 8.550 -4.000 293 2HG GLU 38 1HG GLU 38 -7.614 6.849 -4.432 294 H LYS 39 H LYS 39 -11.457 5.877 -2.321 295 HA LYS 39 HA LYS 39 -12.968 7.730 -0.825 296 1HB LYS 39 2HB LYS 39 -14.104 6.226 -2.312 297 2HB LYS 39 1HB LYS 39 -13.427 4.821 -1.502 298 1HG LYS 39 2HG LYS 39 -15.101 6.671 0.106 299 2HG LYS 39 1HG LYS 39 -15.904 5.630 -1.073 300 1HD LYS 39 2HD LYS 39 -14.528 3.729 -0.007 301 2HD LYS 39 1HD LYS 39 -14.280 4.858 1.327 302 1HE LYS 39 2HE LYS 39 -16.681 5.061 1.632 303 2HE LYS 39 1HE LYS 39 -16.964 4.000 0.252 304 1HZ LYS 39 1HZ LYS 39 -15.367 3.075 2.553 305 2HZ LYS 39 2HZ LYS 39 -16.214 2.159 1.410 306 3HZ LYS 39 3HZ LYS 39 -17.057 3.014 2.601 307 H LYS 40 H LYS 40 -11.106 4.878 0.029 308 HA LYS 40 HA LYS 40 -12.019 4.799 2.747 309 1HB LYS 40 2HB LYS 40 -9.682 3.469 1.377 310 2HB LYS 40 1HB LYS 40 -10.155 3.165 3.043 311 1HG LYS 40 2HG LYS 40 -12.116 2.797 0.817 312 2HG LYS 40 1HG LYS 40 -10.934 1.543 1.197 313 1HD LYS 40 2HD LYS 40 -11.810 1.213 3.346 314 2HD LYS 40 1HD LYS 40 -12.686 2.745 3.319 315 1HE LYS 40 2HE LYS 40 -14.133 1.835 1.528 316 2HE LYS 40 1HE LYS 40 -13.299 0.289 1.679 317 1HZ LYS 40 1HZ LYS 40 -15.518 0.804 2.973 318 2HZ LYS 40 2HZ LYS 40 -14.441 1.453 4.104 319 3HZ LYS 40 3HZ LYS 40 -14.307 -0.171 3.643 320 H ILE 41 H ILE 41 -9.091 5.936 1.094 321 HA ILE 41 HA ILE 41 -7.813 6.815 3.491 322 HB ILE 41 HB ILE 41 -7.248 7.623 0.637 323 1HG1 ILE 41 2HG1 ILE 41 -5.607 5.640 2.152 324 2HG1 ILE 41 1HG1 ILE 41 -7.135 5.107 1.458 325 1HG2 ILE 41 1HG2 ILE 41 -5.583 7.854 3.140 326 2HG2 ILE 41 2HG2 ILE 41 -6.259 9.178 2.192 327 3HG2 ILE 41 3HG2 ILE 41 -4.994 8.160 1.506 328 1HD1 ILE 41 1HD1 ILE 41 -5.950 4.699 -0.378 329 2HD1 ILE 41 2HD1 ILE 41 -4.593 5.682 0.171 330 3HD1 ILE 41 3HD1 ILE 41 -5.970 6.444 -0.626 331 H LYS 42 H LYS 42 -10.087 8.213 1.278 332 HA LYS 42 HA LYS 42 -9.707 10.920 1.596 333 1HB LYS 42 2HB LYS 42 -12.043 9.204 1.029 334 2HB LYS 42 1HB LYS 42 -12.383 10.854 1.533 335 1HG LYS 42 2HG LYS 42 -10.343 10.977 -0.415 336 2HG LYS 42 1HG LYS 42 -11.591 9.889 -1.024 337 1HD LYS 42 2HD LYS 42 -12.519 11.830 -1.730 338 2HD LYS 42 1HD LYS 42 -13.144 11.863 -0.081 339 1HE LYS 42 2HE LYS 42 -10.461 13.004 -0.388 340 2HE LYS 42 1HE LYS 42 -11.726 13.871 -1.259 341 1HZ LYS 42 1HZ LYS 42 -11.292 13.604 1.598 342 2HZ LYS 42 2HZ LYS 42 -12.906 13.513 1.096 343 3HZ LYS 42 3HZ LYS 42 -11.979 14.878 0.720 344 H GLU 43 H GLU 43 -10.884 8.631 3.919 345 HA GLU 43 HA GLU 43 -11.295 10.834 5.819 346 1HB GLU 43 2HB GLU 43 -12.818 8.226 5.762 347 2HB GLU 43 1HB GLU 43 -13.054 9.542 6.904 348 1HG GLU 43 2HG GLU 43 -14.181 10.827 5.409 349 2HG GLU 43 1HG GLU 43 -13.320 10.166 4.021 350 H LEU 44 H LEU 44 -10.484 7.399 5.465 351 HA LEU 44 HA LEU 44 -9.444 7.167 8.120 352 1HB LEU 44 2HB LEU 44 -10.140 5.413 6.050 353 2HB LEU 44 1HB LEU 44 -8.419 5.182 6.287 354 HG LEU 44 HG LEU 44 -9.692 3.596 7.618 355 1HD1 LEU 44 1HD1 LEU 44 -8.678 4.025 9.785 356 2HD1 LEU 44 2HD1 LEU 44 -8.392 5.706 9.334 357 3HD1 LEU 44 3HD1 LEU 44 -7.552 4.409 8.483 358 1HD2 LEU 44 1HD2 LEU 44 -11.251 4.213 9.271 359 2HD2 LEU 44 2HD2 LEU 44 -11.681 5.154 7.843 360 3HD2 LEU 44 3HD2 LEU 44 -10.805 5.916 9.170 361 H PHE 45 H PHE 45 -7.406 7.412 8.853 362 HA PHE 45 HA PHE 45 -5.464 8.584 7.021 363 1HB PHE 45 2HB PHE 45 -6.007 9.623 9.257 364 2HB PHE 45 1HB PHE 45 -5.219 8.243 10.013 365 HD1 PHE 45 1HD PHE 45 -4.709 11.243 7.961 366 HD2 PHE 45 2HD PHE 45 -2.840 8.030 10.033 367 HE1 PHE 45 1HE PHE 45 -2.537 12.382 7.760 368 HE2 PHE 45 2HE PHE 45 -0.665 9.164 9.837 369 HZ PHE 45 HZ PHE 45 -0.511 11.342 8.699 370 H PHE 46 H PHE 46 -4.601 6.899 5.868 371 HA PHE 46 HA PHE 46 -3.570 4.576 7.288 372 1HB PHE 46 2HB PHE 46 -3.797 5.253 4.358 373 2HB PHE 46 1HB PHE 46 -2.981 3.808 4.942 374 HD1 PHE 46 1HD PHE 46 -6.098 5.282 4.050 375 HD2 PHE 46 2HD PHE 46 -4.325 2.168 6.345 376 HE1 PHE 46 1HE PHE 46 -8.254 4.099 4.102 377 HE2 PHE 46 2HE PHE 46 -6.479 0.979 6.402 378 HZ PHE 46 HZ PHE 46 -8.445 1.948 5.280 379 HA PRO 47 HA PRO 47 0.440 6.654 7.372 380 1HB PRO 47 2HB PRO 47 1.679 4.856 8.960 381 2HB PRO 47 1HB PRO 47 0.544 6.051 9.600 382 1HG PRO 47 2HG PRO 47 0.095 3.166 8.959 383 2HG PRO 47 1HG PRO 47 -0.449 4.095 10.366 384 1HD PRO 47 2HD PRO 47 -2.062 3.531 8.246 385 2HD PRO 47 1HD PRO 47 -2.243 4.989 9.240 386 H VAL 48 H VAL 48 -0.409 3.508 6.263 387 HA VAL 48 HA VAL 48 1.873 3.482 4.470 388 HB VAL 48 HB VAL 48 1.195 0.999 6.021 389 1HG1 VAL 48 1HG1 VAL 48 3.211 1.799 4.020 390 2HG1 VAL 48 2HG1 VAL 48 2.461 0.230 4.314 391 3HG1 VAL 48 3HG1 VAL 48 3.782 0.783 5.343 392 1HG2 VAL 48 1HG2 VAL 48 1.833 2.574 7.672 393 2HG2 VAL 48 2HG2 VAL 48 3.181 3.146 6.689 394 3HG2 VAL 48 3HG2 VAL 48 3.218 1.522 7.379 395 H ILE 49 H ILE 49 1.298 2.811 2.502 396 HA ILE 49 HA ILE 49 -1.229 1.342 2.170 397 HB ILE 49 HB ILE 49 -0.075 3.095 0.021 398 1HG1 ILE 49 2HG1 ILE 49 -0.310 4.572 1.935 399 2HG1 ILE 49 1HG1 ILE 49 -1.596 4.906 0.778 400 1HG2 ILE 49 1HG2 ILE 49 -2.572 1.620 0.514 401 2HG2 ILE 49 2HG2 ILE 49 -1.750 1.993 -1.000 402 3HG2 ILE 49 3HG2 ILE 49 -2.757 3.211 -0.220 403 1HD1 ILE 49 1HD1 ILE 49 -2.181 4.816 3.265 404 2HD1 ILE 49 2HD1 ILE 49 -2.039 3.067 3.095 405 3HD1 ILE 49 3HD1 ILE 49 -3.223 3.953 2.134 406 H VAL 50 H VAL 50 -1.277 -0.020 0.150 407 HA VAL 50 HA VAL 50 1.330 -0.764 -0.886 408 HB VAL 50 HB VAL 50 -0.409 -2.799 0.512 409 1HG1 VAL 50 1HG1 VAL 50 2.284 -3.621 -0.159 410 2HG1 VAL 50 2HG1 VAL 50 1.371 -3.164 -1.597 411 3HG1 VAL 50 3HG1 VAL 50 0.746 -4.408 -0.515 412 1HG2 VAL 50 1HG2 VAL 50 1.514 -2.986 2.059 413 2HG2 VAL 50 2HG2 VAL 50 0.727 -1.410 2.115 414 3HG2 VAL 50 3HG2 VAL 50 2.254 -1.603 1.255 415 H LEU 51 H LEU 51 0.772 -0.293 -2.917 416 HA LEU 51 HA LEU 51 -1.716 -1.186 -4.076 417 1HB LEU 51 2HB LEU 51 -0.723 0.963 -4.712 418 2HB LEU 51 1HB LEU 51 0.687 0.133 -5.339 419 HG LEU 51 HG LEU 51 -0.640 -0.887 -7.095 420 1HD1 LEU 51 1HD1 LEU 51 -2.811 -1.225 -6.793 421 2HD1 LEU 51 2HD1 LEU 51 -3.073 0.508 -6.990 422 3HD1 LEU 51 3HD1 LEU 51 -2.824 -0.170 -5.381 423 1HD2 LEU 51 1HD2 LEU 51 -0.907 2.088 -6.773 424 2HD2 LEU 51 2HD2 LEU 51 -1.415 1.246 -8.238 425 3HD2 LEU 51 3HD2 LEU 51 0.272 1.186 -7.725 426 H ASP 52 H ASP 52 -1.946 -2.687 -5.760 427 HA ASP 52 HA ASP 52 0.209 -4.686 -5.882 428 1HB ASP 52 2HB ASP 52 -2.153 -5.260 -4.997 429 2HB ASP 52 1HB ASP 52 -2.638 -5.208 -6.688 430 H VAL 53 H VAL 53 -1.587 -2.446 -7.758 431 HA VAL 53 HA VAL 53 -1.754 -2.020 -9.989 432 HB VAL 53 HB VAL 53 0.281 -1.693 -11.094 433 1HG1 VAL 53 1HG1 VAL 53 0.156 -0.369 -9.087 434 2HG1 VAL 53 2HG1 VAL 53 1.829 -0.850 -9.369 435 3HG1 VAL 53 3HG1 VAL 53 0.868 -1.675 -8.140 436 1HG2 VAL 53 1HG2 VAL 53 1.896 -3.211 -11.282 437 2HG2 VAL 53 2HG2 VAL 53 0.945 -4.280 -10.257 438 3HG2 VAL 53 3HG2 VAL 53 2.163 -3.227 -9.541 439 H TRP 54 H TRP 54 -2.623 -4.687 -9.248 440 HA TRP 54 HA TRP 54 -1.700 -6.688 -10.953 441 1HB TRP 54 2HB TRP 54 -3.204 -7.188 -9.114 442 2HB TRP 54 1HB TRP 54 -4.487 -6.242 -9.859 443 HD1 TRP 54 HD TRP 54 -6.270 -7.866 -10.706 444 HE1 TRP 54 1HE TRP 54 -6.279 -10.099 -11.983 445 HE3 TRP 54 3HE TRP 54 -1.230 -8.654 -10.993 446 HZ2 TRP 54 2HZ TRP 54 -4.396 -11.952 -12.981 447 HZ3 TRP 54 3HZ TRP 54 -0.414 -10.682 -12.126 448 HH2 TRP 54 HH TRP 54 -1.966 -12.295 -13.099 449 H MET 55 H MET 55 -4.922 -5.309 -11.484 450 HA MET 55 HA MET 55 -4.252 -4.528 -14.189 451 1HB MET 55 2HB MET 55 -6.131 -6.813 -13.594 452 2HB MET 55 1HB MET 55 -6.147 -5.937 -15.118 453 1HG MET 55 2HG MET 55 -3.549 -6.546 -15.004 454 2HG MET 55 1HG MET 55 -4.202 -7.892 -14.071 455 1HE MET 55 1HE MET 55 -5.198 -6.699 -18.330 456 2HE MET 55 2HE MET 55 -3.491 -6.993 -18.000 457 3HE MET 55 3HE MET 55 -4.371 -5.774 -17.076 458 HA PRO 56 HA PRO 56 -7.809 -2.234 -12.223 459 1HB PRO 56 2HB PRO 56 -6.240 0.000 -11.471 460 2HB PRO 56 1HB PRO 56 -6.913 -1.231 -10.405 461 1HG PRO 56 2HG PRO 56 -4.204 -0.795 -10.915 462 2HG PRO 56 1HG PRO 56 -4.903 -2.229 -10.151 463 1HD PRO 56 2HD PRO 56 -4.025 -1.817 -12.972 464 2HD PRO 56 1HD PRO 56 -3.948 -3.277 -11.964 465 H ASP 57 H ASP 57 -7.718 0.576 -12.449 466 HA ASP 57 HA ASP 57 -6.894 1.281 -15.120 467 1HB ASP 57 2HB ASP 57 -9.829 1.070 -14.439 468 2HB ASP 57 1HB ASP 57 -9.195 1.894 -15.859 469 H GLY 58 H GLY 58 -6.270 2.268 -12.533 470 1HA GLY 58 2HA GLY 58 -7.419 4.981 -12.748 471 2HA GLY 58 1HA GLY 58 -7.164 4.210 -11.192 472 H ASP 59 H ASP 59 -4.635 3.235 -13.057 473 HA ASP 59 HA ASP 59 -2.422 3.759 -13.101 474 1HB ASP 59 2HB ASP 59 -3.443 6.608 -13.097 475 2HB ASP 59 1HB ASP 59 -1.827 6.090 -13.566 476 H GLY 60 H GLY 60 -1.454 3.144 -11.261 477 1HA GLY 60 2HA GLY 60 -1.985 4.460 -8.751 478 2HA GLY 60 1HA GLY 60 -0.872 3.128 -9.018 479 H VAL 61 H VAL 61 -0.077 5.372 -11.286 480 HA VAL 61 HA VAL 61 2.336 6.082 -10.008 481 HB VAL 61 HB VAL 61 1.066 7.347 -12.440 482 1HG1 VAL 61 1HG1 VAL 61 3.696 7.593 -11.118 483 2HG1 VAL 61 2HG1 VAL 61 2.772 8.777 -12.044 484 3HG1 VAL 61 3HG1 VAL 61 3.687 7.522 -12.881 485 1HG2 VAL 61 1HG2 VAL 61 3.094 5.122 -12.383 486 2HG2 VAL 61 2HG2 VAL 61 2.220 5.759 -13.777 487 3HG2 VAL 61 3HG2 VAL 61 1.359 4.847 -12.537 488 H ASN 62 H ASN 62 -0.245 8.268 -11.173 489 HA ASN 62 HA ASN 62 0.629 10.459 -9.658 490 1HB ASN 62 2HB ASN 62 -1.579 11.389 -10.342 491 2HB ASN 62 1HB ASN 62 -0.627 10.773 -11.675 492 1HD2 ASN 62 1HD2 ASN 62 -1.521 9.330 -12.982 493 2HD2 ASN 62 2HD2 ASN 62 -3.020 8.519 -12.703 494 H PHE 63 H PHE 63 -1.134 7.683 -8.764 495 HA PHE 63 HA PHE 63 -2.878 8.745 -6.833 496 1HB PHE 63 2HB PHE 63 -3.075 6.450 -7.691 497 2HB PHE 63 1HB PHE 63 -1.568 6.020 -6.886 498 HD1 PHE 63 1HD PHE 63 -4.503 7.994 -5.725 499 HD2 PHE 63 2HD PHE 63 -2.079 4.536 -5.195 500 HE1 PHE 63 1HE PHE 63 -5.755 7.435 -3.683 501 HE2 PHE 63 2HE PHE 63 -3.327 3.970 -3.152 502 HZ PHE 63 HZ PHE 63 -5.168 5.422 -2.394 503 H ILE 64 H ILE 64 0.498 7.719 -6.630 504 HA ILE 64 HA ILE 64 0.901 7.654 -3.919 505 HB ILE 64 HB ILE 64 2.786 8.838 -5.964 506 1HG1 ILE 64 2HG1 ILE 64 3.469 6.197 -5.062 507 2HG1 ILE 64 1HG1 ILE 64 1.807 6.198 -5.643 508 1HG2 ILE 64 1HG2 ILE 64 4.116 7.533 -3.804 509 2HG2 ILE 64 2HG2 ILE 64 2.994 8.723 -3.145 510 3HG2 ILE 64 3HG2 ILE 64 4.219 9.219 -4.312 511 1HD1 ILE 64 1HD1 ILE 64 4.075 5.954 -7.170 512 2HD1 ILE 64 2HD1 ILE 64 3.591 7.630 -7.419 513 3HD1 ILE 64 3HD1 ILE 64 2.456 6.323 -7.759 514 H ASP 65 H ASP 65 0.492 10.474 -5.965 515 HA ASP 65 HA ASP 65 1.297 12.387 -4.015 516 1HB ASP 65 2HB ASP 65 1.248 12.897 -6.433 517 2HB ASP 65 1HB ASP 65 -0.507 12.744 -6.424 518 H PHE 66 H PHE 66 -1.715 10.781 -4.796 519 HA PHE 66 HA PHE 66 -3.462 12.444 -3.348 520 1HB PHE 66 2HB PHE 66 -4.291 10.787 -4.940 521 2HB PHE 66 1HB PHE 66 -3.639 9.482 -3.959 522 HD1 PHE 66 1HD PHE 66 -4.548 9.350 -1.511 523 HD2 PHE 66 2HD PHE 66 -6.497 11.388 -4.699 524 HE1 PHE 66 1HE PHE 66 -6.682 9.202 -0.298 525 HE2 PHE 66 2HE PHE 66 -8.636 11.240 -3.491 526 HZ PHE 66 HZ PHE 66 -8.729 10.146 -1.286 527 H ILE 67 H ILE 67 -1.596 9.576 -2.442 528 HA ILE 67 HA ILE 67 -2.540 9.315 0.184 529 HB ILE 67 HB ILE 67 0.128 8.569 -1.022 530 1HG1 ILE 67 2HG1 ILE 67 -0.943 6.236 -0.628 531 2HG1 ILE 67 1HG1 ILE 67 -2.457 7.125 -0.497 532 1HG2 ILE 67 1HG2 ILE 67 0.554 8.809 1.302 533 2HG2 ILE 67 2HG2 ILE 67 0.359 7.084 0.995 534 3HG2 ILE 67 3HG2 ILE 67 -0.955 8.003 1.729 535 1HD1 ILE 67 1HD1 ILE 67 -0.783 7.699 -2.859 536 2HD1 ILE 67 2HD1 ILE 67 -2.536 7.577 -2.707 537 3HD1 ILE 67 3HD1 ILE 67 -1.553 6.115 -2.786 538 H LYS 68 H LYS 68 0.187 11.165 -1.141 539 HA LYS 68 HA LYS 68 0.893 12.231 1.434 540 1HB LYS 68 2HB LYS 68 2.671 13.313 0.365 541 2HB LYS 68 1HB LYS 68 2.474 11.821 -0.539 542 1HG LYS 68 2HG LYS 68 2.343 13.008 -2.388 543 2HG LYS 68 1HG LYS 68 0.841 13.716 -1.796 544 1HD LYS 68 2HD LYS 68 1.953 15.575 -0.879 545 2HD LYS 68 1HD LYS 68 3.529 14.791 -1.002 546 1HE LYS 68 2HE LYS 68 3.775 15.328 -3.184 547 2HE LYS 68 1HE LYS 68 2.059 15.129 -3.534 548 1HZ LYS 68 1HZ LYS 68 2.230 17.370 -3.720 549 2HZ LYS 68 2HZ LYS 68 3.506 17.495 -2.615 550 3HZ LYS 68 3HZ LYS 68 1.923 17.289 -2.058 551 H GLU 69 H GLU 69 -1.293 13.040 -1.073 552 HA GLU 69 HA GLU 69 -1.501 15.829 -0.651 553 1HB GLU 69 2HB GLU 69 -2.352 14.613 -2.662 554 2HB GLU 69 1HB GLU 69 -3.638 13.953 -1.662 555 1HG GLU 69 2HG GLU 69 -4.538 16.144 -1.275 556 2HG GLU 69 1HG GLU 69 -3.183 16.890 -2.120 557 H ASN 70 H ASN 70 -2.917 13.044 0.897 558 HA ASN 70 HA ASN 70 -4.139 14.824 2.885 559 1HB ASN 70 2HB ASN 70 -5.903 12.788 2.956 560 2HB ASN 70 1HB ASN 70 -6.132 14.225 1.964 561 1HD2 ASN 70 1HD2 ASN 70 -5.055 14.046 -0.252 562 2HD2 ASN 70 2HD2 ASN 70 -5.284 12.551 -1.087 563 H SER 71 H SER 71 -1.688 13.001 2.629 564 HA SER 71 HA SER 71 -1.707 12.084 5.317 565 1HB SER 71 2HB SER 71 -2.553 10.215 3.262 566 2HB SER 71 1HB SER 71 -1.106 9.643 4.091 567 HG SER 71 HG SER 71 -2.306 10.140 6.084 568 HA PRO 72 HA PRO 72 2.394 12.981 3.288 569 1HB PRO 72 2HB PRO 72 2.777 14.781 5.560 570 2HB PRO 72 1HB PRO 72 2.877 15.131 3.833 571 1HG PRO 72 2HG PRO 72 0.866 16.052 5.384 572 2HG PRO 72 1HG PRO 72 0.645 15.650 3.672 573 1HD PRO 72 2HD PRO 72 -0.093 14.068 6.103 574 2HD PRO 72 1HD PRO 72 -0.996 14.299 4.589 575 H ASP 73 H ASP 73 1.297 12.092 6.398 576 HA ASP 73 HA ASP 73 3.950 11.196 7.233 577 1HB ASP 73 2HB ASP 73 2.125 12.460 8.690 578 2HB ASP 73 1HB ASP 73 1.580 10.810 8.973 579 H SER 74 H SER 74 2.435 9.888 5.085 580 HA SER 74 HA SER 74 1.971 7.256 6.315 581 1HB SER 74 2HB SER 74 0.007 8.133 5.152 582 2HB SER 74 1HB SER 74 0.956 8.360 3.684 583 HG SER 74 HG SER 74 -0.402 6.273 4.236 584 H VAL 75 H VAL 75 2.138 5.718 3.966 585 HA VAL 75 HA VAL 75 4.705 6.237 2.738 586 HB VAL 75 HB VAL 75 4.373 3.697 4.338 587 1HG1 VAL 75 1HG1 VAL 75 6.716 4.856 2.814 588 2HG1 VAL 75 2HG1 VAL 75 5.718 3.498 2.297 589 3HG1 VAL 75 3HG1 VAL 75 6.727 3.352 3.735 590 1HG2 VAL 75 1HG2 VAL 75 4.647 5.515 5.883 591 2HG2 VAL 75 2HG2 VAL 75 5.973 6.186 4.933 592 3HG2 VAL 75 3HG2 VAL 75 6.178 4.644 5.766 593 H VAL 76 H VAL 76 4.849 5.357 0.763 594 HA VAL 76 HA VAL 76 2.702 3.489 -0.016 595 HB VAL 76 HB VAL 76 4.124 5.150 -2.052 596 1HG1 VAL 76 1HG1 VAL 76 2.249 3.234 -2.266 597 2HG1 VAL 76 2HG1 VAL 76 2.433 4.557 -3.418 598 3HG1 VAL 76 3HG1 VAL 76 1.222 4.663 -2.142 599 1HG2 VAL 76 1HG2 VAL 76 2.147 6.130 -0.048 600 2HG2 VAL 76 2HG2 VAL 76 2.071 6.747 -1.699 601 3HG2 VAL 76 3HG2 VAL 76 3.543 6.951 -0.748 602 H ILE 77 H ILE 77 3.467 1.499 -0.170 603 HA ILE 77 HA ILE 77 6.224 0.990 -0.878 604 HB ILE 77 HB ILE 77 4.009 -1.012 -0.423 605 1HG1 ILE 77 2HG1 ILE 77 4.282 0.429 1.540 606 2HG1 ILE 77 1HG1 ILE 77 4.885 -1.192 1.872 607 1HG2 ILE 77 1HG2 ILE 77 6.436 -1.458 -1.521 608 2HG2 ILE 77 2HG2 ILE 77 5.549 -2.648 -0.568 609 3HG2 ILE 77 3HG2 ILE 77 6.809 -1.674 0.189 610 1HD1 ILE 77 1HD1 ILE 77 7.161 -0.056 1.076 611 2HD1 ILE 77 2HD1 ILE 77 6.598 -0.014 2.747 612 3HD1 ILE 77 3HD1 ILE 77 6.331 1.373 1.691 613 H VAL 78 H VAL 78 3.085 -0.130 -2.176 614 HA VAL 78 HA VAL 78 2.452 -0.778 -4.270 615 HB VAL 78 HB VAL 78 4.567 1.198 -5.152 616 1HG1 VAL 78 1HG1 VAL 78 2.108 0.275 -6.632 617 2HG1 VAL 78 2HG1 VAL 78 3.724 -0.375 -6.902 618 3HG1 VAL 78 3HG1 VAL 78 3.391 1.325 -7.231 619 1HG2 VAL 78 1HG2 VAL 78 2.241 2.514 -5.439 620 2HG2 VAL 78 2HG2 VAL 78 3.241 2.612 -3.989 621 3HG2 VAL 78 3HG2 VAL 78 1.855 1.523 -4.031 622 H ILE 79 H ILE 79 3.186 -2.914 -4.128 623 HA ILE 79 HA ILE 79 5.857 -3.504 -5.166 624 HB ILE 79 HB ILE 79 4.013 -5.679 -4.281 625 1HG1 ILE 79 2HG1 ILE 79 5.533 -3.941 -2.330 626 2HG1 ILE 79 1HG1 ILE 79 3.794 -3.855 -2.580 627 1HG2 ILE 79 1HG2 ILE 79 5.928 -6.777 -4.613 628 2HG2 ILE 79 2HG2 ILE 79 6.528 -5.994 -3.153 629 3HG2 ILE 79 3HG2 ILE 79 6.847 -5.277 -4.732 630 1HD1 ILE 79 1HD1 ILE 79 3.590 -5.372 -0.985 631 2HD1 ILE 79 2HD1 ILE 79 5.330 -5.661 -0.955 632 3HD1 ILE 79 3HD1 ILE 79 4.308 -6.540 -2.093 633 H THR 80 H THR 80 5.005 -6.195 -6.117 634 HA THR 80 HA THR 80 4.239 -7.226 -7.990 635 HB THR 80 HB THR 80 2.486 -5.014 -8.862 636 HG1 THR 80 1HG THR 80 1.909 -4.625 -6.870 637 1HG2 THR 80 1HG2 THR 80 1.238 -6.658 -9.659 638 2HG2 THR 80 2HG2 THR 80 1.206 -7.485 -8.101 639 3HG2 THR 80 3HG2 THR 80 2.547 -7.754 -9.215 640 H GLY 81 H GLY 81 4.937 -7.364 -10.075 641 1HA GLY 81 2HA GLY 81 5.382 -6.130 -12.187 642 2HA GLY 81 1HA GLY 81 6.192 -4.930 -11.190 643 H HIS 82 H HIS 82 6.416 -8.438 -10.865 644 HA HIS 82 HA HIS 82 9.255 -8.358 -10.763 645 1HB HIS 82 2HB HIS 82 9.043 -10.875 -10.827 646 2HB HIS 82 1HB HIS 82 8.154 -10.081 -9.532 647 HD1 HIS 82 1HD HIS 82 7.686 -12.079 -12.638 648 HD2 HIS 82 2HD HIS 82 5.346 -10.195 -9.767 649 HE1 HIS 82 1HE HIS 82 5.353 -12.945 -12.997 650 HE2 HIS 82 2HE HIS 82 3.941 -11.731 -11.301 651 H GLY 83 H GLY 83 9.433 -7.160 -12.865 652 1HA GLY 83 2HA GLY 83 10.599 -8.730 -14.826 653 2HA GLY 83 1HA GLY 83 8.930 -8.501 -15.322 654 H SER 84 H SER 84 8.706 -5.840 -14.191 655 HA SER 84 HA SER 84 10.558 -4.344 -15.921 656 1HB SER 84 2HB SER 84 7.558 -4.088 -15.741 657 2HB SER 84 1HB SER 84 8.573 -2.791 -16.371 658 HG SER 84 HG SER 84 9.039 -3.968 -18.103 659 H VAL 85 H VAL 85 11.799 -3.278 -14.509 660 HA VAL 85 HA VAL 85 10.762 -2.308 -12.000 661 HB VAL 85 HB VAL 85 13.049 -3.189 -12.143 662 1HG1 VAL 85 1HG1 VAL 85 13.244 -1.204 -14.289 663 2HG1 VAL 85 2HG1 VAL 85 14.152 -2.693 -14.031 664 3HG1 VAL 85 3HG1 VAL 85 14.618 -1.218 -13.184 665 1HG2 VAL 85 1HG2 VAL 85 13.276 -0.267 -11.507 666 2HG2 VAL 85 2HG2 VAL 85 14.024 -1.642 -10.696 667 3HG2 VAL 85 3HG2 VAL 85 12.294 -1.346 -10.515 668 H ASP 86 H ASP 86 10.475 -1.145 -15.054 669 HA ASP 86 HA ASP 86 11.130 1.603 -14.675 670 1HB ASP 86 2HB ASP 86 9.285 0.350 -16.719 671 2HB ASP 86 1HB ASP 86 9.978 1.968 -16.797 672 H THR 87 H THR 87 8.628 -0.269 -13.445 673 HA THR 87 HA THR 87 6.682 1.898 -13.427 674 HB THR 87 HB THR 87 6.211 -0.692 -13.661 675 HG1 THR 87 1HG THR 87 4.613 0.934 -13.601 676 1HG2 THR 87 1HG2 THR 87 7.280 -1.161 -11.395 677 2HG2 THR 87 2HG2 THR 87 5.698 -1.871 -11.716 678 3HG2 THR 87 3HG2 THR 87 5.830 -0.435 -10.701 679 H ALA 88 H ALA 88 8.798 0.134 -11.246 680 HA ALA 88 HA ALA 88 7.985 1.217 -8.808 681 1HB ALA 88 1HB ALA 88 10.133 0.568 -7.962 682 2HB ALA 88 2HB ALA 88 10.822 0.551 -9.584 683 3HB ALA 88 3HB ALA 88 9.617 -0.652 -9.126 684 H VAL 89 H VAL 89 10.662 2.254 -10.892 685 HA VAL 89 HA VAL 89 11.337 4.587 -9.550 686 HB VAL 89 HB VAL 89 12.422 5.324 -11.587 687 1HG1 VAL 89 1HG1 VAL 89 12.626 2.528 -10.679 688 2HG1 VAL 89 2HG1 VAL 89 13.858 3.786 -10.774 689 3HG1 VAL 89 3HG1 VAL 89 13.396 2.893 -12.223 690 1HG2 VAL 89 1HG2 VAL 89 12.118 3.803 -13.652 691 2HG2 VAL 89 2HG2 VAL 89 10.886 5.018 -13.311 692 3HG2 VAL 89 3HG2 VAL 89 10.600 3.329 -12.889 693 H LYS 90 H LYS 90 8.744 3.941 -11.801 694 HA LYS 90 HA LYS 90 8.068 6.695 -12.240 695 1HB LYS 90 2HB LYS 90 7.532 5.054 -13.938 696 2HB LYS 90 1HB LYS 90 6.568 4.130 -12.795 697 1HG LYS 90 2HG LYS 90 4.916 5.862 -12.691 698 2HG LYS 90 1HG LYS 90 5.920 6.939 -13.664 699 1HD LYS 90 2HD LYS 90 5.464 4.390 -14.975 700 2HD LYS 90 1HD LYS 90 3.953 5.217 -14.593 701 1HE LYS 90 2HE LYS 90 4.271 6.708 -16.216 702 2HE LYS 90 1HE LYS 90 5.908 7.054 -15.663 703 1HZ LYS 90 1HZ LYS 90 6.794 5.709 -17.200 704 2HZ LYS 90 2HZ LYS 90 5.312 5.882 -17.997 705 3HZ LYS 90 3HZ LYS 90 5.599 4.524 -17.030 706 H ALA 91 H ALA 91 7.728 4.713 -9.588 707 HA ALA 91 HA ALA 91 5.350 6.190 -8.672 708 1HB ALA 91 1HB ALA 91 5.092 4.186 -7.083 709 2HB ALA 91 2HB ALA 91 6.186 3.353 -8.187 710 3HB ALA 91 3HB ALA 91 4.644 3.975 -8.776 711 H ILE 92 H ILE 92 8.505 4.888 -7.758 712 HA ILE 92 HA ILE 92 8.407 5.914 -5.095 713 HB ILE 92 HB ILE 92 10.630 5.169 -4.824 714 1HG1 ILE 92 2HG1 ILE 92 10.824 5.087 -7.843 715 2HG1 ILE 92 1HG1 ILE 92 11.648 6.219 -6.778 716 1HG2 ILE 92 1HG2 ILE 92 10.555 2.882 -6.036 717 2HG2 ILE 92 2HG2 ILE 92 8.972 3.418 -6.595 718 3HG2 ILE 92 3HG2 ILE 92 9.295 3.278 -4.869 719 1HD1 ILE 92 1HD1 ILE 92 12.230 3.500 -6.033 720 2HD1 ILE 92 2HD1 ILE 92 13.327 4.808 -6.474 721 3HD1 ILE 92 3HD1 ILE 92 12.613 3.795 -7.729 722 H LYS 93 H LYS 93 9.628 7.102 -8.159 723 HA LYS 93 HA LYS 93 11.136 9.259 -7.137 724 1HB LYS 93 2HB LYS 93 11.008 8.215 -9.547 725 2HB LYS 93 1HB LYS 93 9.763 9.433 -9.790 726 1HG LYS 93 2HG LYS 93 11.353 11.186 -9.194 727 2HG LYS 93 1HG LYS 93 12.602 9.966 -8.937 728 1HD LYS 93 2HD LYS 93 11.267 9.813 -11.545 729 2HD LYS 93 1HD LYS 93 12.180 11.300 -11.275 730 1HE LYS 93 2HE LYS 93 13.576 8.863 -10.444 731 2HE LYS 93 1HE LYS 93 13.229 8.940 -12.170 732 1HZ LYS 93 1HZ LYS 93 15.397 9.920 -11.512 733 2HZ LYS 93 2HZ LYS 93 14.560 11.119 -10.660 734 3HZ LYS 93 3HZ LYS 93 14.387 10.995 -12.339 735 H LYS 94 H LYS 94 7.765 8.749 -7.376 736 HA LYS 94 HA LYS 94 7.078 11.558 -7.407 737 1HB LYS 94 2HB LYS 94 5.769 9.373 -8.282 738 2HB LYS 94 1HB LYS 94 5.021 9.571 -6.703 739 1HG LYS 94 2HG LYS 94 3.617 10.896 -7.857 740 2HG LYS 94 1HG LYS 94 4.880 12.098 -7.583 741 1HD LYS 94 2HD LYS 94 5.695 11.922 -9.749 742 2HD LYS 94 1HD LYS 94 4.976 10.328 -9.995 743 1HE LYS 94 2HE LYS 94 2.741 11.725 -9.618 744 2HE LYS 94 1HE LYS 94 3.763 13.026 -10.228 745 1HZ LYS 94 1HZ LYS 94 4.285 11.077 -11.982 746 2HZ LYS 94 2HZ LYS 94 3.091 12.255 -12.209 747 3HZ LYS 94 3HZ LYS 94 2.671 10.729 -11.612 748 H GLY 95 H GLY 95 6.562 8.851 -5.135 749 1HA GLY 95 2HA GLY 95 7.378 10.264 -2.855 750 2HA GLY 95 1HA GLY 95 5.640 10.459 -3.012 751 H ALA 96 H ALA 96 7.359 7.543 -3.983 752 HA ALA 96 HA ALA 96 5.756 6.037 -2.079 753 1HB ALA 96 1HB ALA 96 5.930 4.272 -3.471 754 2HB ALA 96 2HB ALA 96 7.628 4.587 -3.832 755 3HB ALA 96 3HB ALA 96 6.366 5.512 -4.647 756 H TYR 97 H TYR 97 7.437 3.803 -1.750 757 HA TYR 97 HA TYR 97 9.473 4.932 0.049 758 1HB TYR 97 2HB TYR 97 7.641 3.746 1.178 759 2HB TYR 97 1HB TYR 97 8.008 2.297 0.252 760 HD1 TYR 97 1HD TYR 97 9.517 0.733 1.093 761 HD2 TYR 97 2HD TYR 97 9.519 4.677 2.686 762 HE1 TYR 97 1HE TYR 97 11.103 0.023 2.832 763 HE2 TYR 97 2HE TYR 97 11.106 3.979 4.430 764 HH TYR 97 HH TYR 97 11.841 0.696 5.038 765 H GLU 98 H GLU 98 9.678 4.161 -2.835 766 HA GLU 98 HA GLU 98 11.453 3.503 -4.116 767 1HB GLU 98 2HB GLU 98 13.453 2.964 -3.208 768 2HB GLU 98 1HB GLU 98 12.682 3.548 -1.744 769 1HG GLU 98 2HG GLU 98 11.980 0.961 -1.615 770 2HG GLU 98 1HG GLU 98 13.491 0.818 -2.511 771 H PHE 99 H PHE 99 8.943 1.946 -3.417 772 HA PHE 99 HA PHE 99 7.949 -0.001 -4.052 773 1HB PHE 99 2HB PHE 99 9.963 0.584 -6.009 774 2HB PHE 99 1HB PHE 99 9.839 -1.159 -5.813 775 HD1 PHE 99 1HD PHE 99 8.596 -2.076 -7.501 776 HD2 PHE 99 2HD PHE 99 7.341 1.617 -5.799 777 HE1 PHE 99 1HE PHE 99 6.606 -2.092 -8.948 778 HE2 PHE 99 2HE PHE 99 5.348 1.608 -7.242 779 HZ PHE 99 HZ PHE 99 4.978 -0.248 -8.818 780 H LEU 100 H LEU 100 8.128 -2.384 -4.043 781 HA LEU 100 HA LEU 100 10.211 -3.297 -2.182 782 1HB LEU 100 2HB LEU 100 7.783 -3.191 -1.394 783 2HB LEU 100 1HB LEU 100 7.481 -4.516 -2.498 784 HG LEU 100 HG LEU 100 7.825 -5.258 -0.166 785 1HD1 LEU 100 1HD1 LEU 100 8.425 -6.625 -2.217 786 2HD1 LEU 100 2HD1 LEU 100 9.178 -7.106 -0.696 787 3HD1 LEU 100 3HD1 LEU 100 10.102 -6.191 -1.886 788 1HD2 LEU 100 1HD2 LEU 100 10.664 -4.336 -0.558 789 2HD2 LEU 100 2HD2 LEU 100 9.965 -5.080 0.879 790 3HD2 LEU 100 3HD2 LEU 100 9.460 -3.463 0.390 791 H GLU 101 H GLU 101 11.550 -3.806 -4.031 792 HA GLU 101 HA GLU 101 10.646 -6.200 -5.494 793 1HB GLU 101 2HB GLU 101 12.158 -5.563 -7.290 794 2HB GLU 101 1HB GLU 101 11.043 -4.249 -6.941 795 1HG GLU 101 2HG GLU 101 13.234 -3.735 -5.323 796 2HG GLU 101 1HG GLU 101 13.930 -4.307 -6.838 797 H LYS 102 H LYS 102 11.513 -7.980 -4.682 798 HA LYS 102 HA LYS 102 14.219 -8.551 -4.686 799 1HB LYS 102 2HB LYS 102 14.488 -6.985 -2.858 800 2HB LYS 102 1HB LYS 102 13.215 -7.772 -1.943 801 1HG LYS 102 2HG LYS 102 15.113 -8.597 -0.944 802 2HG LYS 102 1HG LYS 102 14.741 -9.866 -2.113 803 1HD LYS 102 2HD LYS 102 16.817 -9.629 -2.888 804 2HD LYS 102 1HD LYS 102 16.327 -8.055 -3.515 805 1HE LYS 102 2HE LYS 102 17.565 -8.631 -0.827 806 2HE LYS 102 1HE LYS 102 18.326 -7.806 -2.187 807 1HZ LYS 102 1HZ LYS 102 16.410 -6.805 -0.248 808 2HZ LYS 102 2HZ LYS 102 16.164 -6.299 -1.844 809 3HZ LYS 102 3HZ LYS 102 17.640 -5.991 -1.078 810 HA PRO 103 HA PRO 103 11.923 -12.090 -2.451 811 1HB PRO 103 2HB PRO 103 9.493 -11.734 -1.402 812 2HB PRO 103 1HB PRO 103 10.945 -11.195 -0.548 813 1HG PRO 103 2HG PRO 103 9.008 -9.598 -2.181 814 2HG PRO 103 1HG PRO 103 9.746 -9.201 -0.618 815 1HD PRO 103 2HD PRO 103 10.648 -8.248 -3.030 816 2HD PRO 103 1HD PRO 103 11.662 -8.426 -1.587 817 H PHE 104 H PHE 104 9.543 -13.276 -2.645 818 HA PHE 104 HA PHE 104 8.346 -12.659 -5.229 819 1HB PHE 104 2HB PHE 104 9.898 -15.150 -4.610 820 2HB PHE 104 1HB PHE 104 8.549 -15.212 -5.739 821 HD1 PHE 104 1HD PHE 104 11.998 -14.401 -5.290 822 HD2 PHE 104 2HD PHE 104 8.604 -13.671 -7.752 823 HE1 PHE 104 1HE PHE 104 13.478 -13.609 -7.089 824 HE2 PHE 104 2HE PHE 104 10.078 -12.880 -9.555 825 HZ PHE 104 HZ PHE 104 12.518 -12.848 -9.226 826 H SER 105 H SER 105 7.558 -12.703 -2.344 827 HA SER 105 HA SER 105 5.066 -14.141 -2.726 828 1HB SER 105 2HB SER 105 6.295 -15.879 -1.656 829 2HB SER 105 1HB SER 105 6.993 -14.760 -0.485 830 HG SER 105 HG SER 105 5.340 -15.801 0.543 831 H VAL 106 H VAL 106 6.445 -13.017 0.333 832 HA VAL 106 HA VAL 106 5.436 -10.419 0.348 833 HB VAL 106 HB VAL 106 3.224 -11.475 0.159 834 1HG1 VAL 106 1HG1 VAL 106 3.900 -12.779 2.794 835 2HG1 VAL 106 2HG1 VAL 106 3.731 -13.601 1.242 836 3HG1 VAL 106 3HG1 VAL 106 2.332 -12.828 1.988 837 1HG2 VAL 106 1HG2 VAL 106 3.580 -10.333 2.921 838 2HG2 VAL 106 2HG2 VAL 106 2.151 -10.251 1.891 839 3HG2 VAL 106 3HG2 VAL 106 3.606 -9.358 1.452 840 H GLU 107 H GLU 107 5.949 -13.335 2.277 841 HA GLU 107 HA GLU 107 6.199 -12.469 4.806 842 1HB GLU 107 2HB GLU 107 6.717 -14.769 3.780 843 2HB GLU 107 1HB GLU 107 8.368 -14.179 3.643 844 1HG GLU 107 2HG GLU 107 8.467 -13.825 6.031 845 2HG GLU 107 1HG GLU 107 6.787 -14.332 6.194 846 H ARG 108 H ARG 108 8.608 -11.956 2.265 847 HA ARG 108 HA ARG 108 10.538 -10.751 3.976 848 1HB ARG 108 2HB ARG 108 10.611 -11.712 1.443 849 2HB ARG 108 1HB ARG 108 10.533 -9.985 1.121 850 1HG ARG 108 2HG ARG 108 12.639 -9.647 1.783 851 2HG ARG 108 1HG ARG 108 12.468 -10.704 3.187 852 1HD ARG 108 2HD ARG 108 12.399 -12.328 0.861 853 2HD ARG 108 1HD ARG 108 13.764 -11.224 0.706 854 HE ARG 108 HE ARG 108 14.814 -12.327 2.419 855 1HH1 ARG 108 1HH1 ARG 108 11.456 -13.273 2.343 856 2HH1 ARG 108 2HH1 ARG 108 11.658 -14.546 3.498 857 1HH2 ARG 108 1HH2 ARG 108 15.082 -14.003 3.940 858 2HH2 ARG 108 2HH2 ARG 108 13.716 -14.961 4.406 859 H PHE 109 H PHE 109 7.946 -9.518 1.931 860 HA PHE 109 HA PHE 109 8.529 -6.794 2.047 861 1HB PHE 109 2HB PHE 109 6.861 -7.484 0.515 862 2HB PHE 109 1HB PHE 109 5.938 -8.309 1.765 863 HD1 PHE 109 1HD PHE 109 7.344 -4.868 1.782 864 HD2 PHE 109 2HD PHE 109 3.855 -7.302 1.702 865 HE1 PHE 109 1HE PHE 109 5.945 -2.866 2.076 866 HE2 PHE 109 2HE PHE 109 2.449 -5.304 1.995 867 HZ PHE 109 HZ PHE 109 3.495 -3.082 2.181 868 H LEU 110 H LEU 110 7.090 -8.920 4.410 869 HA LEU 110 HA LEU 110 5.791 -7.174 6.091 870 1HB LEU 110 2HB LEU 110 6.714 -9.813 6.216 871 2HB LEU 110 1HB LEU 110 7.303 -9.015 7.662 872 HG LEU 110 HG LEU 110 4.428 -9.188 6.766 873 1HD1 LEU 110 1HD1 LEU 110 6.073 -10.611 8.806 874 2HD1 LEU 110 2HD1 LEU 110 4.898 -11.255 7.660 875 3HD1 LEU 110 3HD1 LEU 110 4.348 -10.362 9.078 876 1HD2 LEU 110 1HD2 LEU 110 5.324 -7.063 8.018 877 2HD2 LEU 110 2HD2 LEU 110 5.277 -8.131 9.419 878 3HD2 LEU 110 3HD2 LEU 110 3.805 -7.819 8.499 879 H LEU 111 H LEU 111 9.230 -7.720 5.729 880 HA LEU 111 HA LEU 111 10.116 -6.351 8.015 881 1HB LEU 111 2HB LEU 111 11.383 -6.902 5.351 882 2HB LEU 111 1HB LEU 111 12.221 -6.006 6.604 883 HG LEU 111 HG LEU 111 12.063 -7.933 8.108 884 1HD1 LEU 111 1HD1 LEU 111 10.692 -9.248 5.770 885 2HD1 LEU 111 2HD1 LEU 111 10.018 -8.938 7.370 886 3HD1 LEU 111 3HD1 LEU 111 11.319 -10.113 7.173 887 1HD2 LEU 111 1HD2 LEU 111 13.995 -7.663 6.580 888 2HD2 LEU 111 2HD2 LEU 111 13.185 -8.718 5.421 889 3HD2 LEU 111 3HD2 LEU 111 13.665 -9.345 6.998 890 H THR 112 H THR 112 9.737 -5.230 4.659 891 HA THR 112 HA THR 112 10.517 -2.604 4.966 892 HB THR 112 HB THR 112 8.336 -3.724 3.198 893 HG1 THR 112 1HG THR 112 11.067 -3.156 2.697 894 1HG2 THR 112 1HG2 THR 112 9.289 -1.679 1.776 895 2HG2 THR 112 2HG2 THR 112 9.453 -1.002 3.396 896 3HG2 THR 112 3HG2 THR 112 7.877 -1.550 2.824 897 H ILE 113 H ILE 113 7.372 -4.063 5.699 898 HA ILE 113 HA ILE 113 5.878 -1.764 6.164 899 HB ILE 113 HB ILE 113 5.788 -4.501 7.418 900 1HG1 ILE 113 2HG1 ILE 113 5.049 -4.331 5.106 901 2HG1 ILE 113 1HG1 ILE 113 3.666 -4.639 6.151 902 1HG2 ILE 113 1HG2 ILE 113 4.041 -2.139 8.063 903 2HG2 ILE 113 2HG2 ILE 113 4.982 -3.133 9.174 904 3HG2 ILE 113 3HG2 ILE 113 3.563 -3.809 8.374 905 1HD1 ILE 113 1HD1 ILE 113 3.690 -1.920 6.049 906 2HD1 ILE 113 2HD1 ILE 113 2.711 -2.970 5.025 907 3HD1 ILE 113 3HD1 ILE 113 4.256 -2.355 4.437 908 H LYS 114 H LYS 114 7.454 -3.722 8.694 909 HA LYS 114 HA LYS 114 7.248 -1.815 10.733 910 1HB LYS 114 2HB LYS 114 7.710 -4.116 11.268 911 2HB LYS 114 1HB LYS 114 9.200 -4.086 10.338 912 1HG LYS 114 2HG LYS 114 8.977 -2.141 12.552 913 2HG LYS 114 1HG LYS 114 9.132 -3.844 12.991 914 1HD LYS 114 2HD LYS 114 11.296 -3.877 12.439 915 2HD LYS 114 1HD LYS 114 10.984 -3.099 10.886 916 1HE LYS 114 2HE LYS 114 11.748 -1.154 11.640 917 2HE LYS 114 1HE LYS 114 10.668 -1.210 13.032 918 1HZ LYS 114 1HZ LYS 114 13.312 -1.277 13.231 919 2HZ LYS 114 2HZ LYS 114 13.000 -2.938 13.159 920 3HZ LYS 114 3HZ LYS 114 12.285 -1.994 14.366 921 H HIS 115 H HIS 115 9.184 -1.809 7.969 922 HA HIS 115 HA HIS 115 11.282 -0.146 9.115 923 1HB HIS 115 2HB HIS 115 10.860 -1.126 6.285 924 2HB HIS 115 1HB HIS 115 12.250 -0.199 6.837 925 HD1 HIS 115 1HD HIS 115 12.182 -2.032 9.612 926 HD2 HIS 115 2HD HIS 115 12.688 -3.230 5.666 927 HE1 HIS 115 1HE HIS 115 13.374 -4.243 9.729 928 HE2 HIS 115 2HE HIS 115 13.748 -4.906 7.327 929 H ALA 116 H ALA 116 8.343 0.079 7.323 930 HA ALA 116 HA ALA 116 8.778 2.759 6.356 931 1HB ALA 116 1HB ALA 116 6.142 2.407 6.030 932 2HB ALA 116 2HB ALA 116 6.645 0.722 6.161 933 3HB ALA 116 3HB ALA 116 7.345 1.756 4.916 934 H PHE 117 H PHE 117 6.768 1.227 8.857 935 HA PHE 117 HA PHE 117 5.504 3.523 9.810 936 1HB PHE 117 2HB PHE 117 6.160 0.862 11.021 937 2HB PHE 117 1HB PHE 117 5.476 2.131 12.030 938 HD1 PHE 117 1HD PHE 117 3.215 2.986 11.582 939 HD2 PHE 117 2HD PHE 117 4.843 -0.286 9.403 940 HE1 PHE 117 1HE PHE 117 0.958 2.384 10.808 941 HE2 PHE 117 2HE PHE 117 2.591 -0.893 8.627 942 HZ PHE 117 HZ PHE 117 0.645 0.448 9.325 943 H GLU 118 H GLU 118 8.764 2.474 10.176 944 HA GLU 118 HA GLU 118 9.568 3.542 12.575 945 1HB GLU 118 2HB GLU 118 11.098 3.677 9.972 946 2HB GLU 118 1HB GLU 118 11.788 3.802 11.584 947 1HG GLU 118 2HG GLU 118 10.770 1.475 11.971 948 2HG GLU 118 1HG GLU 118 10.628 1.410 10.215 949 H GLU 119 H GLU 119 8.636 5.225 9.678 950 HA GLU 119 HA GLU 119 9.557 7.779 10.773 951 1HB GLU 119 2HB GLU 119 8.306 7.227 8.078 952 2HB GLU 119 1HB GLU 119 9.103 8.710 8.585 953 1HG GLU 119 2HG GLU 119 11.076 7.937 7.953 954 2HG GLU 119 1HG GLU 119 10.873 6.482 8.927 955 H TYR 120 H TYR 120 7.328 6.321 11.951 956 HA TYR 120 HA TYR 120 5.378 8.476 11.876 957 1HB TYR 120 2HB TYR 120 4.612 6.854 10.154 958 2HB TYR 120 1HB TYR 120 4.549 5.606 11.393 959 HD1 TYR 120 1HD TYR 120 2.435 5.121 12.155 960 HD2 TYR 120 2HD TYR 120 3.315 9.119 11.004 961 HE1 TYR 120 1HE TYR 120 0.129 5.779 12.701 962 HE2 TYR 120 2HE TYR 120 1.012 9.789 11.547 963 HH TYR 120 HH TYR 120 -0.853 9.061 12.879 964 H SER 121 H SER 121 7.308 7.458 13.804 965 HA SER 121 HA SER 121 5.467 7.093 16.033 966 1HB SER 121 2HB SER 121 7.173 5.317 16.922 967 2HB SER 121 1HB SER 121 5.927 4.826 15.774 968 HG SER 121 HG SER 121 7.447 4.923 14.130 Start of MODEL 4 1 1H MET 1 1HT MET 1 -3.352 2.361 14.649 2 2H MET 1 2HT MET 1 -2.732 3.956 14.531 3 3H MET 1 3HT MET 1 -3.527 3.445 15.963 4 HA MET 1 HA MET 1 -1.044 3.563 15.992 5 1HB MET 1 2HB MET 1 -0.991 1.338 17.248 6 2HB MET 1 1HB MET 1 -2.173 2.524 17.783 7 1HG MET 1 2HG MET 1 -3.818 1.290 16.259 8 2HG MET 1 1HG MET 1 -2.617 -0.001 16.240 9 1HE MET 1 1HE MET 1 -1.813 -1.278 18.681 10 2HE MET 1 2HE MET 1 -2.971 -1.885 17.497 11 3HE MET 1 3HE MET 1 -3.338 -1.983 19.219 12 H LYS 2 H LYS 2 -2.422 0.682 14.392 13 HA LYS 2 HA LYS 2 -0.092 0.579 12.649 14 1HB LYS 2 2HB LYS 2 -0.961 -1.784 14.321 15 2HB LYS 2 1HB LYS 2 0.291 -1.805 13.088 16 1HG LYS 2 2HG LYS 2 0.392 -0.111 15.572 17 2HG LYS 2 1HG LYS 2 1.153 -1.695 15.408 18 1HD LYS 2 2HD LYS 2 2.667 -0.923 13.790 19 2HD LYS 2 1HD LYS 2 1.723 0.536 13.479 20 1HE LYS 2 2HE LYS 2 2.598 1.639 15.248 21 2HE LYS 2 1HE LYS 2 2.686 0.187 16.244 22 1HZ LYS 2 1HZ LYS 2 4.569 -0.452 14.615 23 2HZ LYS 2 2HZ LYS 2 4.888 0.655 15.855 24 3HZ LYS 2 3HZ LYS 2 4.623 1.205 14.277 25 H ARG 3 H ARG 3 -1.333 0.988 10.864 26 HA ARG 3 HA ARG 3 -3.060 -1.197 9.989 27 1HB ARG 3 2HB ARG 3 -4.025 1.610 9.578 28 2HB ARG 3 1HB ARG 3 -4.933 0.107 9.518 29 1HG ARG 3 2HG ARG 3 -5.677 0.932 11.500 30 2HG ARG 3 1HG ARG 3 -4.284 0.013 12.072 31 1HD ARG 3 2HD ARG 3 -3.195 1.859 12.723 32 2HD ARG 3 1HD ARG 3 -3.623 2.734 11.254 33 HE ARG 3 HE ARG 3 -5.791 2.427 13.127 34 1HH1 ARG 3 1HH1 ARG 3 -3.088 4.408 12.149 35 2HH1 ARG 3 2HH1 ARG 3 -3.721 5.847 12.873 36 1HH2 ARG 3 1HH2 ARG 3 -6.624 4.320 14.080 37 2HH2 ARG 3 2HH2 ARG 3 -5.727 5.797 13.970 38 H VAL 4 H VAL 4 -2.863 -1.638 7.848 39 HA VAL 4 HA VAL 4 -1.465 0.344 6.177 40 HB VAL 4 HB VAL 4 -1.048 -2.635 5.938 41 1HG1 VAL 4 1HG1 VAL 4 1.038 -0.934 4.907 42 2HG1 VAL 4 2HG1 VAL 4 -0.518 -0.521 4.192 43 3HG1 VAL 4 3HG1 VAL 4 0.090 -2.172 4.084 44 1HG2 VAL 4 1HG2 VAL 4 0.865 -0.654 7.162 45 2HG2 VAL 4 2HG2 VAL 4 1.039 -2.406 7.070 46 3HG2 VAL 4 3HG2 VAL 4 -0.199 -1.696 8.106 47 H LEU 5 H LEU 5 -2.128 0.512 4.056 48 HA LEU 5 HA LEU 5 -4.692 -0.762 3.456 49 1HB LEU 5 2HB LEU 5 -4.403 1.755 3.401 50 2HB LEU 5 1HB LEU 5 -3.392 1.526 1.988 51 HG LEU 5 HG LEU 5 -5.235 0.640 0.724 52 1HD1 LEU 5 1HD1 LEU 5 -6.733 -0.563 1.858 53 2HD1 LEU 5 2HD1 LEU 5 -7.519 0.976 2.208 54 3HD1 LEU 5 3HD1 LEU 5 -6.391 0.278 3.370 55 1HD2 LEU 5 1HD2 LEU 5 -6.644 2.891 2.001 56 2HD2 LEU 5 2HD2 LEU 5 -6.207 2.633 0.312 57 3HD2 LEU 5 3HD2 LEU 5 -5.000 3.223 1.455 58 H VAL 6 H VAL 6 -4.833 -2.331 1.997 59 HA VAL 6 HA VAL 6 -2.565 -2.710 0.153 60 HB VAL 6 HB VAL 6 -4.526 -4.829 1.029 61 1HG1 VAL 6 1HG1 VAL 6 -2.236 -4.724 -0.825 62 2HG1 VAL 6 2HG1 VAL 6 -3.666 -5.756 -0.842 63 3HG1 VAL 6 3HG1 VAL 6 -2.315 -6.137 0.227 64 1HG2 VAL 6 1HG2 VAL 6 -3.102 -5.522 2.701 65 2HG2 VAL 6 2HG2 VAL 6 -2.909 -3.772 2.798 66 3HG2 VAL 6 3HG2 VAL 6 -1.696 -4.749 1.972 67 H VAL 7 H VAL 7 -3.373 -1.380 -1.479 68 HA VAL 7 HA VAL 7 -6.004 -1.827 -2.573 69 HB VAL 7 HB VAL 7 -3.761 -0.187 -3.762 70 1HG1 VAL 7 1HG1 VAL 7 -6.748 -0.039 -4.152 71 2HG1 VAL 7 2HG1 VAL 7 -5.596 -0.729 -5.296 72 3HG1 VAL 7 3HG1 VAL 7 -5.542 0.993 -4.921 73 1HG2 VAL 7 1HG2 VAL 7 -5.878 0.580 -1.760 74 2HG2 VAL 7 2HG2 VAL 7 -4.930 1.746 -2.682 75 3HG2 VAL 7 3HG2 VAL 7 -4.129 0.651 -1.557 76 H ASP 8 H ASP 8 -6.268 -3.747 -3.562 77 HA ASP 8 HA ASP 8 -4.484 -4.344 -5.812 78 1HB ASP 8 2HB ASP 8 -3.767 -5.747 -3.922 79 2HB ASP 8 1HB ASP 8 -5.404 -6.372 -3.762 80 H ASP 9 H ASP 9 -5.468 -5.130 -7.599 81 HA ASP 9 HA ASP 9 -8.388 -5.193 -7.561 82 1HB ASP 9 2HB ASP 9 -7.220 -3.761 -9.226 83 2HB ASP 9 1HB ASP 9 -6.496 -5.206 -9.926 84 H GLU 10 H GLU 10 -7.068 -7.387 -6.377 85 HA GLU 10 HA GLU 10 -8.140 -9.530 -8.017 86 1HB GLU 10 2HB GLU 10 -5.602 -9.143 -8.482 87 2HB GLU 10 1HB GLU 10 -5.376 -9.905 -6.914 88 1HG GLU 10 2HG GLU 10 -5.172 -11.461 -8.823 89 2HG GLU 10 1HG GLU 10 -6.419 -11.919 -7.664 90 H GLU 11 H GLU 11 -8.168 -11.621 -6.804 91 HA GLU 11 HA GLU 11 -9.125 -11.153 -4.142 92 1HB GLU 11 2HB GLU 11 -8.750 -13.715 -5.701 93 2HB GLU 11 1HB GLU 11 -9.543 -13.606 -4.136 94 1HG GLU 11 2HG GLU 11 -10.512 -11.947 -6.418 95 2HG GLU 11 1HG GLU 11 -10.959 -13.649 -6.305 96 H SER 12 H SER 12 -6.256 -12.585 -5.585 97 HA SER 12 HA SER 12 -5.182 -13.816 -3.318 98 1HB SER 12 2HB SER 12 -4.303 -14.177 -5.584 99 2HB SER 12 1HB SER 12 -3.705 -12.518 -5.618 100 HG SER 12 HG SER 12 -2.857 -14.638 -3.942 101 H ILE 13 H ILE 13 -2.758 -12.852 -2.723 102 HA ILE 13 HA ILE 13 -1.625 -11.396 -1.408 103 HB ILE 13 HB ILE 13 -3.290 -9.526 -3.046 104 1HG1 ILE 13 2HG1 ILE 13 -1.367 -10.665 -4.076 105 2HG1 ILE 13 1HG1 ILE 13 -1.129 -8.922 -4.003 106 1HG2 ILE 13 1HG2 ILE 13 -1.506 -8.800 -0.740 107 2HG2 ILE 13 2HG2 ILE 13 -3.152 -8.261 -1.071 108 3HG2 ILE 13 3HG2 ILE 13 -1.818 -7.680 -2.066 109 1HD1 ILE 13 1HD1 ILE 13 0.263 -11.091 -2.533 110 2HD1 ILE 13 2HD1 ILE 13 0.100 -9.515 -1.760 111 3HD1 ILE 13 3HD1 ILE 13 0.915 -9.654 -3.318 112 H THR 14 H THR 14 -4.812 -9.798 -1.474 113 HA THR 14 HA THR 14 -4.889 -9.117 1.207 114 HB THR 14 HB THR 14 -7.255 -8.748 0.921 115 HG1 THR 14 1HG THR 14 -8.436 -9.816 -0.475 116 1HG2 THR 14 1HG2 THR 14 -5.691 -7.265 -0.363 117 2HG2 THR 14 2HG2 THR 14 -7.341 -7.352 -0.979 118 3HG2 THR 14 3HG2 THR 14 -6.051 -8.247 -1.782 119 H SER 15 H SER 15 -5.404 -12.203 -0.257 120 HA SER 15 HA SER 15 -6.749 -13.288 2.083 121 1HB SER 15 2HB SER 15 -7.442 -14.001 -0.185 122 2HB SER 15 1HB SER 15 -5.839 -14.690 -0.440 123 HG SER 15 HG SER 15 -6.244 -16.116 1.280 124 H SER 16 H SER 16 -3.891 -12.306 2.113 125 HA SER 16 HA SER 16 -2.840 -14.426 3.718 126 1HB SER 16 2HB SER 16 -2.189 -15.320 1.549 127 2HB SER 16 1HB SER 16 -1.465 -13.777 1.098 128 HG SER 16 HG SER 16 -0.626 -15.344 3.309 129 H LEU 17 H LEU 17 -1.829 -11.587 1.824 130 HA LEU 17 HA LEU 17 0.155 -10.676 3.566 131 1HB LEU 17 2HB LEU 17 -0.052 -9.833 1.309 132 2HB LEU 17 1HB LEU 17 -1.634 -9.169 1.656 133 HG LEU 17 HG LEU 17 0.453 -7.611 1.543 134 1HD1 LEU 17 1HD1 LEU 17 -0.617 -6.058 3.029 135 2HD1 LEU 17 2HD1 LEU 17 -1.501 -7.363 3.819 136 3HD1 LEU 17 3HD1 LEU 17 -1.846 -6.958 2.139 137 1HD2 LEU 17 1HD2 LEU 17 1.740 -7.351 3.459 138 2HD2 LEU 17 2HD2 LEU 17 1.617 -9.102 3.296 139 3HD2 LEU 17 3HD2 LEU 17 0.607 -8.252 4.465 140 H SER 18 H SER 18 -3.275 -9.711 3.358 141 HA SER 18 HA SER 18 -3.263 -7.890 5.476 142 1HB SER 18 2HB SER 18 -5.689 -9.579 5.136 143 2HB SER 18 1HB SER 18 -5.541 -7.824 5.223 144 HG SER 18 HG SER 18 -4.514 -8.067 3.059 145 H ALA 19 H ALA 19 -4.084 -11.356 5.492 146 HA ALA 19 HA ALA 19 -4.592 -11.641 8.212 147 1HB ALA 19 1HB ALA 19 -4.651 -13.321 6.117 148 2HB ALA 19 2HB ALA 19 -4.690 -13.864 7.795 149 3HB ALA 19 3HB ALA 19 -3.170 -13.873 6.900 150 H ILE 20 H ILE 20 -1.552 -11.712 6.436 151 HA ILE 20 HA ILE 20 0.145 -12.561 8.488 152 HB ILE 20 HB ILE 20 0.610 -10.839 6.061 153 1HG1 ILE 20 2HG1 ILE 20 1.812 -13.512 6.706 154 2HG1 ILE 20 1HG1 ILE 20 0.202 -13.375 6.006 155 1HG2 ILE 20 1HG2 ILE 20 2.546 -11.504 8.249 156 2HG2 ILE 20 2HG2 ILE 20 2.260 -9.959 7.446 157 3HG2 ILE 20 3HG2 ILE 20 3.095 -11.256 6.591 158 1HD1 ILE 20 1HD1 ILE 20 2.372 -11.895 4.658 159 2HD1 ILE 20 2HD1 ILE 20 0.988 -12.754 3.983 160 3HD1 ILE 20 3HD1 ILE 20 2.399 -13.654 4.539 161 H LEU 21 H LEU 21 -0.192 -9.177 7.361 162 HA LEU 21 HA LEU 21 1.094 -7.956 9.465 163 1HB LEU 21 2HB LEU 21 -1.348 -6.904 8.048 164 2HB LEU 21 1HB LEU 21 -0.139 -5.952 8.888 165 HG LEU 21 HG LEU 21 1.020 -7.630 6.813 166 1HD1 LEU 21 1HD1 LEU 21 -1.134 -7.249 5.747 167 2HD1 LEU 21 2HD1 LEU 21 0.154 -6.367 4.926 168 3HD1 LEU 21 3HD1 LEU 21 -0.956 -5.511 5.996 169 1HD2 LEU 21 1HD2 LEU 21 1.790 -5.471 8.182 170 2HD2 LEU 21 2HD2 LEU 21 1.138 -4.678 6.748 171 3HD2 LEU 21 3HD2 LEU 21 2.425 -5.873 6.587 172 H GLU 22 H GLU 22 -2.133 -9.277 9.318 173 HA GLU 22 HA GLU 22 -3.183 -8.084 11.646 174 1HB GLU 22 2HB GLU 22 -4.282 -9.541 9.718 175 2HB GLU 22 1HB GLU 22 -4.025 -10.828 10.888 176 1HG GLU 22 2HG GLU 22 -5.155 -8.790 12.375 177 2HG GLU 22 1HG GLU 22 -6.017 -8.731 10.839 178 H GLU 23 H GLU 23 -1.101 -10.835 11.098 179 HA GLU 23 HA GLU 23 -1.359 -11.841 13.788 180 1HB GLU 23 2HB GLU 23 -0.892 -13.501 12.181 181 2HB GLU 23 1HB GLU 23 0.362 -12.534 11.418 182 1HG GLU 23 2HG GLU 23 1.946 -13.299 12.783 183 2HG GLU 23 1HG GLU 23 0.917 -13.167 14.208 184 H GLU 24 H GLU 24 0.823 -9.799 11.961 185 HA GLU 24 HA GLU 24 2.833 -9.659 13.989 186 1HB GLU 24 2HB GLU 24 2.374 -7.744 11.700 187 2HB GLU 24 1HB GLU 24 3.863 -7.969 12.609 188 1HG GLU 24 2HG GLU 24 2.566 -10.028 10.837 189 2HG GLU 24 1HG GLU 24 3.952 -9.026 10.408 190 H GLY 25 H GLY 25 -0.226 -8.261 13.669 191 1HA GLY 25 2HA GLY 25 -1.185 -7.003 15.447 192 2HA GLY 25 1HA GLY 25 0.411 -6.366 15.806 193 H TYR 26 H TYR 26 -1.591 -6.510 12.866 194 HA TYR 26 HA TYR 26 -1.337 -3.583 12.665 195 1HB TYR 26 2HB TYR 26 -1.051 -5.661 10.501 196 2HB TYR 26 1HB TYR 26 -1.353 -3.965 10.144 197 HD1 TYR 26 1HD TYR 26 0.327 -2.265 11.169 198 HD2 TYR 26 2HD TYR 26 1.139 -6.415 10.720 199 HE1 TYR 26 1HE TYR 26 2.737 -1.802 11.299 200 HE2 TYR 26 2HE TYR 26 3.551 -5.967 10.849 201 HH TYR 26 HH TYR 26 4.857 -3.274 12.033 202 H HIS 27 H HIS 27 -2.924 -2.947 10.675 203 HA HIS 27 HA HIS 27 -5.502 -4.281 11.067 204 1HB HIS 27 2HB HIS 27 -4.938 -1.964 12.393 205 2HB HIS 27 1HB HIS 27 -5.648 -1.337 10.909 206 HD1 HIS 27 1HD HIS 27 -6.487 -3.164 14.035 207 HD2 HIS 27 2HD HIS 27 -8.381 -1.962 10.538 208 HE1 HIS 27 1HE HIS 27 -8.946 -3.453 14.470 209 HE2 HIS 27 2HE HIS 27 -10.067 -2.811 12.306 210 HA PRO 28 HA PRO 28 -4.402 -3.467 6.595 211 1HB PRO 28 2HB PRO 28 -5.729 -6.095 6.347 212 2HB PRO 28 1HB PRO 28 -4.197 -5.537 5.668 213 1HG PRO 28 2HG PRO 28 -4.269 -7.268 7.707 214 2HG PRO 28 1HG PRO 28 -3.015 -6.022 7.589 215 1HD PRO 28 2HD PRO 28 -5.456 -6.099 9.315 216 2HD PRO 28 1HD PRO 28 -3.824 -5.508 9.691 217 H ASP 29 H ASP 29 -5.744 -2.571 5.185 218 HA ASP 29 HA ASP 29 -8.623 -2.947 5.610 219 1HB ASP 29 2HB ASP 29 -7.444 -0.639 6.160 220 2HB ASP 29 1HB ASP 29 -7.741 -0.383 4.445 221 H THR 30 H THR 30 -6.359 -3.728 3.562 222 HA THR 30 HA THR 30 -6.229 -3.508 1.171 223 HB THR 30 HB THR 30 -6.861 -5.683 0.509 224 HG1 THR 30 1HG THR 30 -8.534 -6.745 1.312 225 1HG2 THR 30 1HG2 THR 30 -5.605 -6.842 1.933 226 2HG2 THR 30 2HG2 THR 30 -6.649 -6.470 3.304 227 3HG2 THR 30 3HG2 THR 30 -5.417 -5.316 2.797 228 H ALA 31 H ALA 31 -7.045 -2.518 -0.494 229 HA ALA 31 HA ALA 31 -9.955 -2.124 -0.661 230 1HB ALA 31 1HB ALA 31 -8.426 -0.114 -0.567 231 2HB ALA 31 2HB ALA 31 -9.550 -0.159 -1.925 232 3HB ALA 31 3HB ALA 31 -7.855 -0.580 -2.169 233 H LYS 32 H LYS 32 -10.066 -1.427 -3.384 234 HA LYS 32 HA LYS 32 -9.383 -3.992 -4.669 235 1HB LYS 32 2HB LYS 32 -11.689 -2.293 -5.567 236 2HB LYS 32 1HB LYS 32 -11.415 -4.009 -5.826 237 1HG LYS 32 2HG LYS 32 -11.932 -4.496 -3.532 238 2HG LYS 32 1HG LYS 32 -12.039 -2.776 -3.152 239 1HD LYS 32 2HD LYS 32 -14.087 -2.550 -4.116 240 2HD LYS 32 1HD LYS 32 -13.766 -3.783 -5.338 241 1HE LYS 32 2HE LYS 32 -15.148 -5.059 -4.120 242 2HE LYS 32 1HE LYS 32 -13.760 -5.261 -3.051 243 1HZ LYS 32 1HZ LYS 32 -16.125 -4.382 -2.228 244 2HZ LYS 32 2HZ LYS 32 -15.390 -2.901 -2.589 245 3HZ LYS 32 3HZ LYS 32 -14.670 -3.955 -1.479 246 H THR 33 H THR 33 -9.417 -0.520 -4.940 247 HA THR 33 HA THR 33 -7.478 -0.600 -7.039 248 HB THR 33 HB THR 33 -9.812 0.989 -7.915 249 HG1 THR 33 1HG THR 33 -10.809 -0.877 -8.805 250 1HG2 THR 33 1HG2 THR 33 -7.564 -0.443 -9.126 251 2HG2 THR 33 2HG2 THR 33 -8.387 1.032 -9.634 252 3HG2 THR 33 3HG2 THR 33 -9.083 -0.543 -10.016 253 H LEU 34 H LEU 34 -7.582 1.936 -7.996 254 HA LEU 34 HA LEU 34 -6.608 3.446 -5.803 255 1HB LEU 34 2HB LEU 34 -7.335 4.408 -8.571 256 2HB LEU 34 1HB LEU 34 -6.316 5.249 -7.416 257 HG LEU 34 HG LEU 34 -5.633 2.559 -8.599 258 1HD1 LEU 34 1HD1 LEU 34 -3.915 3.971 -9.863 259 2HD1 LEU 34 2HD1 LEU 34 -4.965 5.340 -9.496 260 3HD1 LEU 34 3HD1 LEU 34 -5.580 3.986 -10.445 261 1HD2 LEU 34 1HD2 LEU 34 -4.618 3.124 -6.408 262 2HD2 LEU 34 2HD2 LEU 34 -3.916 4.564 -7.144 263 3HD2 LEU 34 3HD2 LEU 34 -3.437 2.963 -7.707 264 H ARG 35 H ARG 35 -9.567 3.659 -7.757 265 HA ARG 35 HA ARG 35 -10.652 5.932 -6.538 266 1HB ARG 35 2HB ARG 35 -11.525 3.905 -8.377 267 2HB ARG 35 1HB ARG 35 -12.793 4.196 -7.195 268 1HG ARG 35 2HG ARG 35 -11.591 6.638 -8.257 269 2HG ARG 35 1HG ARG 35 -12.387 5.639 -9.474 270 1HD ARG 35 2HD ARG 35 -13.836 6.073 -6.928 271 2HD ARG 35 1HD ARG 35 -13.684 7.460 -8.006 272 HE ARG 35 HE ARG 35 -15.298 5.115 -8.408 273 1HH1 ARG 35 1HH1 ARG 35 -13.660 7.766 -9.980 274 2HH1 ARG 35 2HH1 ARG 35 -14.674 7.723 -11.384 275 1HH2 ARG 35 1HH2 ARG 35 -16.632 5.059 -10.253 276 2HH2 ARG 35 2HH2 ARG 35 -16.361 6.187 -11.539 277 H GLU 36 H GLU 36 -11.095 2.491 -5.784 278 HA GLU 36 HA GLU 36 -12.785 2.920 -3.548 279 1HB GLU 36 2HB GLU 36 -11.009 0.524 -4.026 280 2HB GLU 36 1HB GLU 36 -12.489 0.585 -3.077 281 1HG GLU 36 2HG GLU 36 -12.730 1.357 -5.911 282 2HG GLU 36 1HG GLU 36 -12.366 -0.337 -5.588 283 H ALA 37 H ALA 37 -9.325 2.844 -3.993 284 HA ALA 37 HA ALA 37 -8.697 2.632 -1.201 285 1HB ALA 37 1HB ALA 37 -6.394 3.148 -1.919 286 2HB ALA 37 2HB ALA 37 -6.989 3.447 -3.552 287 3HB ALA 37 3HB ALA 37 -7.114 1.834 -2.850 288 H GLU 38 H GLU 38 -9.452 5.213 -3.393 289 HA GLU 38 HA GLU 38 -8.301 7.300 -1.795 290 1HB GLU 38 2HB GLU 38 -10.234 7.290 -4.102 291 2HB GLU 38 1HB GLU 38 -9.787 8.768 -3.262 292 1HG GLU 38 2HG GLU 38 -7.543 8.601 -3.945 293 2HG GLU 38 1HG GLU 38 -7.749 6.933 -4.475 294 H LYS 39 H LYS 39 -11.432 5.757 -2.126 295 HA LYS 39 HA LYS 39 -12.853 7.576 -0.455 296 1HB LYS 39 2HB LYS 39 -14.071 6.176 -2.010 297 2HB LYS 39 1HB LYS 39 -13.426 4.719 -1.267 298 1HG LYS 39 2HG LYS 39 -15.029 6.616 0.382 299 2HG LYS 39 1HG LYS 39 -15.845 5.515 -0.729 300 1HD LYS 39 2HD LYS 39 -14.126 3.817 0.488 301 2HD LYS 39 1HD LYS 39 -14.432 4.961 1.795 302 1HE LYS 39 2HE LYS 39 -15.988 3.023 1.773 303 2HE LYS 39 1HE LYS 39 -16.796 4.585 1.653 304 1HZ LYS 39 1HZ LYS 39 -16.109 3.307 -0.864 305 2HZ LYS 39 2HZ LYS 39 -17.504 4.158 -0.426 306 3HZ LYS 39 3HZ LYS 39 -17.316 2.544 0.040 307 H LYS 40 H LYS 40 -11.063 4.598 0.043 308 HA LYS 40 HA LYS 40 -11.775 4.272 2.786 309 1HB LYS 40 2HB LYS 40 -9.395 3.173 1.278 310 2HB LYS 40 1HB LYS 40 -9.985 2.603 2.833 311 1HG LYS 40 2HG LYS 40 -12.068 2.585 0.824 312 2HG LYS 40 1HG LYS 40 -10.670 1.625 0.338 313 1HD LYS 40 2HD LYS 40 -10.836 0.687 2.772 314 2HD LYS 40 1HD LYS 40 -12.496 1.274 2.676 315 1HE LYS 40 2HE LYS 40 -12.887 -0.073 0.698 316 2HE LYS 40 1HE LYS 40 -11.207 -0.608 0.704 317 1HZ LYS 40 1HZ LYS 40 -12.950 -1.085 3.037 318 2HZ LYS 40 2HZ LYS 40 -11.544 -1.906 2.577 319 3HZ LYS 40 3HZ LYS 40 -12.979 -2.135 1.709 320 H ILE 41 H ILE 41 -9.133 5.827 1.058 321 HA ILE 41 HA ILE 41 -7.735 6.511 3.506 322 HB ILE 41 HB ILE 41 -7.182 7.370 0.666 323 1HG1 ILE 41 2HG1 ILE 41 -5.577 5.339 2.177 324 2HG1 ILE 41 1HG1 ILE 41 -7.066 4.847 1.375 325 1HG2 ILE 41 1HG2 ILE 41 -5.885 7.941 3.251 326 2HG2 ILE 41 2HG2 ILE 41 -5.930 8.891 1.766 327 3HG2 ILE 41 3HG2 ILE 41 -4.810 7.537 1.911 328 1HD1 ILE 41 1HD1 ILE 41 -5.644 4.442 -0.322 329 2HD1 ILE 41 2HD1 ILE 41 -4.463 5.626 0.238 330 3HD1 ILE 41 3HD1 ILE 41 -5.897 6.158 -0.640 331 H LYS 42 H LYS 42 -10.200 7.861 1.562 332 HA LYS 42 HA LYS 42 -9.793 10.580 1.723 333 1HB LYS 42 2HB LYS 42 -12.039 8.816 1.283 334 2HB LYS 42 1HB LYS 42 -12.519 10.280 2.131 335 1HG LYS 42 2HG LYS 42 -11.532 11.638 0.367 336 2HG LYS 42 1HG LYS 42 -11.020 10.176 -0.478 337 1HD LYS 42 2HD LYS 42 -13.364 9.495 -0.708 338 2HD LYS 42 1HD LYS 42 -13.870 10.964 0.129 339 1HE LYS 42 2HE LYS 42 -12.125 11.219 -2.270 340 2HE LYS 42 1HE LYS 42 -13.825 10.819 -2.508 341 1HZ LYS 42 1HZ LYS 42 -13.290 13.015 -0.686 342 2HZ LYS 42 2HZ LYS 42 -14.483 12.860 -1.877 343 3HZ LYS 42 3HZ LYS 42 -12.909 13.308 -2.308 344 H GLU 43 H GLU 43 -10.519 8.385 4.282 345 HA GLU 43 HA GLU 43 -10.668 10.656 6.130 346 1HB GLU 43 2HB GLU 43 -12.314 8.148 6.452 347 2HB GLU 43 1HB GLU 43 -12.396 9.612 7.424 348 1HG GLU 43 2HG GLU 43 -13.547 10.781 5.821 349 2HG GLU 43 1HG GLU 43 -12.940 9.780 4.502 350 H LEU 44 H LEU 44 -10.273 7.123 5.943 351 HA LEU 44 HA LEU 44 -9.018 6.771 8.409 352 1HB LEU 44 2HB LEU 44 -9.718 5.168 6.237 353 2HB LEU 44 1HB LEU 44 -7.982 4.974 6.386 354 HG LEU 44 HG LEU 44 -9.061 3.237 7.638 355 1HD1 LEU 44 1HD1 LEU 44 -7.730 3.374 9.453 356 2HD1 LEU 44 2HD1 LEU 44 -8.319 4.976 9.898 357 3HD1 LEU 44 3HD1 LEU 44 -7.112 4.802 8.624 358 1HD2 LEU 44 1HD2 LEU 44 -10.853 3.485 8.997 359 2HD2 LEU 44 2HD2 LEU 44 -11.122 4.903 7.984 360 3HD2 LEU 44 3HD2 LEU 44 -10.347 5.077 9.559 361 H PHE 45 H PHE 45 -7.161 7.536 9.138 362 HA PHE 45 HA PHE 45 -5.222 8.732 7.406 363 1HB PHE 45 2HB PHE 45 -5.835 9.339 9.869 364 2HB PHE 45 1HB PHE 45 -4.687 8.072 10.287 365 HD1 PHE 45 1HD PHE 45 -5.090 11.493 9.499 366 HD2 PHE 45 2HD PHE 45 -2.334 8.261 9.227 367 HE1 PHE 45 1HE PHE 45 -3.240 13.096 9.251 368 HE2 PHE 45 2HE PHE 45 -0.479 9.858 8.981 369 HZ PHE 45 HZ PHE 45 -0.930 12.279 8.992 370 H PHE 46 H PHE 46 -4.944 6.710 6.130 371 HA PHE 46 HA PHE 46 -3.668 4.440 7.213 372 1HB PHE 46 2HB PHE 46 -4.025 5.506 4.432 373 2HB PHE 46 1HB PHE 46 -3.011 4.096 4.724 374 HD1 PHE 46 1HD PHE 46 -6.270 5.203 4.029 375 HD2 PHE 46 2HD PHE 46 -4.120 2.201 6.145 376 HE1 PHE 46 1HE PHE 46 -8.268 3.766 4.012 377 HE2 PHE 46 2HE PHE 46 -6.112 0.760 6.131 378 HZ PHE 46 HZ PHE 46 -8.191 1.541 5.064 379 HA PRO 47 HA PRO 47 0.374 6.431 7.596 380 1HB PRO 47 2HB PRO 47 1.524 4.482 9.063 381 2HB PRO 47 1HB PRO 47 0.384 5.635 9.767 382 1HG PRO 47 2HG PRO 47 -0.087 2.824 8.852 383 2HG PRO 47 1HG PRO 47 -0.657 3.631 10.325 384 1HD PRO 47 2HD PRO 47 -2.212 3.293 8.116 385 2HD PRO 47 1HD PRO 47 -2.401 4.655 9.236 386 H VAL 48 H VAL 48 -0.447 3.322 6.300 387 HA VAL 48 HA VAL 48 1.884 3.424 4.550 388 HB VAL 48 HB VAL 48 1.112 0.831 5.858 389 1HG1 VAL 48 1HG1 VAL 48 2.551 1.124 3.691 390 2HG1 VAL 48 2HG1 VAL 48 3.027 -0.036 4.931 391 3HG1 VAL 48 3HG1 VAL 48 3.824 1.535 4.840 392 1HG2 VAL 48 1HG2 VAL 48 1.700 2.124 7.711 393 2HG2 VAL 48 2HG2 VAL 48 2.986 2.953 6.834 394 3HG2 VAL 48 3HG2 VAL 48 3.177 1.259 7.286 395 H ILE 49 H ILE 49 1.358 2.967 2.518 396 HA ILE 49 HA ILE 49 -1.193 1.608 1.972 397 HB ILE 49 HB ILE 49 0.134 3.541 0.083 398 1HG1 ILE 49 2HG1 ILE 49 -0.355 4.674 2.253 399 2HG1 ILE 49 1HG1 ILE 49 -1.288 5.312 0.903 400 1HG2 ILE 49 1HG2 ILE 49 -2.473 2.122 0.237 401 2HG2 ILE 49 2HG2 ILE 49 -1.422 2.413 -1.149 402 3HG2 ILE 49 3HG2 ILE 49 -2.427 3.716 -0.515 403 1HD1 ILE 49 1HD1 ILE 49 -2.330 3.310 2.890 404 2HD1 ILE 49 2HD1 ILE 49 -3.244 4.141 1.631 405 3HD1 ILE 49 3HD1 ILE 49 -2.585 5.052 2.989 406 H VAL 50 H VAL 50 -1.262 0.321 0.010 407 HA VAL 50 HA VAL 50 1.286 -0.393 -1.190 408 HB VAL 50 HB VAL 50 -0.413 -2.471 0.196 409 1HG1 VAL 50 1HG1 VAL 50 2.073 -2.687 -1.492 410 2HG1 VAL 50 2HG1 VAL 50 0.504 -3.446 -1.767 411 3HG1 VAL 50 3HG1 VAL 50 1.514 -3.973 -0.421 412 1HG2 VAL 50 1HG2 VAL 50 1.553 -2.775 1.641 413 2HG2 VAL 50 2HG2 VAL 50 0.866 -1.157 1.781 414 3HG2 VAL 50 3HG2 VAL 50 2.335 -1.411 0.839 415 H LEU 51 H LEU 51 0.710 0.069 -3.207 416 HA LEU 51 HA LEU 51 -1.883 -0.699 -4.249 417 1HB LEU 51 2HB LEU 51 -1.052 1.446 -4.915 418 2HB LEU 51 1HB LEU 51 0.464 0.753 -5.460 419 HG LEU 51 HG LEU 51 -0.705 -0.388 -7.292 420 1HD1 LEU 51 1HD1 LEU 51 -2.940 -0.478 -7.541 421 2HD1 LEU 51 2HD1 LEU 51 -3.185 1.153 -6.918 422 3HD1 LEU 51 3HD1 LEU 51 -2.942 -0.189 -5.802 423 1HD2 LEU 51 1HD2 LEU 51 -1.409 2.540 -7.230 424 2HD2 LEU 51 2HD2 LEU 51 -1.108 1.536 -8.649 425 3HD2 LEU 51 3HD2 LEU 51 0.212 1.918 -7.543 426 H ASP 52 H ASP 52 -1.703 -2.979 -4.123 427 HA ASP 52 HA ASP 52 0.364 -4.449 -5.376 428 1HB ASP 52 2HB ASP 52 -1.840 -5.042 -3.769 429 2HB ASP 52 1HB ASP 52 -2.175 -5.866 -5.288 430 H VAL 53 H VAL 53 0.481 -3.248 -7.394 431 HA VAL 53 HA VAL 53 -1.560 -3.118 -9.294 432 HB VAL 53 HB VAL 53 0.383 -1.756 -9.593 433 1HG1 VAL 53 1HG1 VAL 53 2.556 -2.449 -9.643 434 2HG1 VAL 53 2HG1 VAL 53 2.153 -4.038 -10.291 435 3HG1 VAL 53 3HG1 VAL 53 1.872 -3.684 -8.588 436 1HG2 VAL 53 1HG2 VAL 53 0.432 -1.851 -11.844 437 2HG2 VAL 53 2HG2 VAL 53 -0.800 -3.092 -11.619 438 3HG2 VAL 53 3HG2 VAL 53 0.884 -3.556 -11.869 439 H TRP 54 H TRP 54 -2.591 -5.199 -9.195 440 HA TRP 54 HA TRP 54 -1.197 -7.560 -10.028 441 1HB TRP 54 2HB TRP 54 -3.092 -7.848 -8.585 442 2HB TRP 54 1HB TRP 54 -4.134 -6.934 -9.667 443 HD1 TRP 54 HD TRP 54 -5.753 -8.478 -10.891 444 HE1 TRP 54 1HE TRP 54 -5.675 -10.869 -11.843 445 HE3 TRP 54 3HE TRP 54 -0.965 -9.708 -9.599 446 HZ2 TRP 54 2HZ TRP 54 -3.826 -12.996 -12.022 447 HZ3 TRP 54 3HZ TRP 54 -0.116 -11.941 -10.197 448 HH2 TRP 54 HH TRP 54 -1.519 -13.549 -11.383 449 H MET 55 H MET 55 -4.163 -6.388 -11.562 450 HA MET 55 HA MET 55 -2.817 -6.041 -14.108 451 1HB MET 55 2HB MET 55 -3.417 -8.503 -13.853 452 2HB MET 55 1HB MET 55 -5.101 -8.001 -13.928 453 1HG MET 55 2HG MET 55 -4.117 -6.768 -16.120 454 2HG MET 55 1HG MET 55 -3.085 -8.196 -16.053 455 1HE MET 55 1HE MET 55 -5.547 -6.673 -17.595 456 2HE MET 55 2HE MET 55 -7.106 -7.237 -16.993 457 3HE MET 55 3HE MET 55 -6.414 -7.949 -18.451 458 HA PRO 56 HA PRO 56 -6.805 -3.599 -13.474 459 1HB PRO 56 2HB PRO 56 -6.028 -1.381 -12.218 460 2HB PRO 56 1HB PRO 56 -6.335 -2.870 -11.315 461 1HG PRO 56 2HG PRO 56 -3.733 -1.665 -12.153 462 2HG PRO 56 1HG PRO 56 -4.162 -2.452 -10.625 463 1HD PRO 56 2HD PRO 56 -2.809 -3.667 -12.724 464 2HD PRO 56 1HD PRO 56 -3.678 -4.518 -11.434 465 H ASP 57 H ASP 57 -6.862 -0.929 -13.915 466 HA ASP 57 HA ASP 57 -4.973 -0.185 -15.972 467 1HB ASP 57 2HB ASP 57 -7.894 -0.555 -16.663 468 2HB ASP 57 1HB ASP 57 -6.661 0.116 -17.725 469 H GLY 58 H GLY 58 -5.316 1.039 -13.588 470 1HA GLY 58 2HA GLY 58 -6.887 3.452 -14.251 471 2HA GLY 58 1HA GLY 58 -6.647 2.867 -12.612 472 H ASP 59 H ASP 59 -3.754 2.240 -13.586 473 HA ASP 59 HA ASP 59 -1.713 3.232 -13.444 474 1HB ASP 59 2HB ASP 59 -3.199 5.681 -14.422 475 2HB ASP 59 1HB ASP 59 -1.449 5.489 -14.396 476 H GLY 60 H GLY 60 -1.121 3.281 -11.358 477 1HA GLY 60 2HA GLY 60 -2.344 5.250 -9.569 478 2HA GLY 60 1HA GLY 60 -1.355 3.883 -9.080 479 H VAL 61 H VAL 61 -0.154 5.767 -11.696 480 HA VAL 61 HA VAL 61 2.244 6.395 -10.422 481 HB VAL 61 HB VAL 61 1.072 7.948 -12.726 482 1HG1 VAL 61 1HG1 VAL 61 3.806 7.493 -11.626 483 2HG1 VAL 61 2HG1 VAL 61 3.035 8.994 -12.137 484 3HG1 VAL 61 3HG1 VAL 61 3.594 7.834 -13.344 485 1HG2 VAL 61 1HG2 VAL 61 2.278 5.202 -12.660 486 2HG2 VAL 61 2HG2 VAL 61 2.373 6.209 -14.104 487 3HG2 VAL 61 3HG2 VAL 61 0.800 5.746 -13.455 488 H ASN 62 H ASN 62 -0.417 8.626 -11.287 489 HA ASN 62 HA ASN 62 0.640 10.746 -9.725 490 1HB ASN 62 2HB ASN 62 -1.494 11.825 -10.367 491 2HB ASN 62 1HB ASN 62 -0.603 11.196 -11.736 492 1HD2 ASN 62 1HD2 ASN 62 -3.389 10.800 -9.688 493 2HD2 ASN 62 2HD2 ASN 62 -4.247 9.719 -10.728 494 H PHE 63 H PHE 63 -0.964 7.957 -8.840 495 HA PHE 63 HA PHE 63 -2.802 8.955 -6.926 496 1HB PHE 63 2HB PHE 63 -2.955 6.682 -7.862 497 2HB PHE 63 1HB PHE 63 -1.456 6.248 -7.045 498 HD1 PHE 63 1HD PHE 63 -4.510 8.082 -5.943 499 HD2 PHE 63 2HD PHE 63 -1.902 4.773 -5.342 500 HE1 PHE 63 1HE PHE 63 -5.788 7.444 -3.940 501 HE2 PHE 63 2HE PHE 63 -3.176 4.128 -3.338 502 HZ PHE 63 HZ PHE 63 -5.124 5.465 -2.635 503 H ILE 64 H ILE 64 0.580 7.929 -6.728 504 HA ILE 64 HA ILE 64 0.988 7.791 -4.029 505 HB ILE 64 HB ILE 64 2.847 9.069 -6.039 506 1HG1 ILE 64 2HG1 ILE 64 3.769 6.527 -5.381 507 2HG1 ILE 64 1HG1 ILE 64 2.026 6.321 -5.525 508 1HG2 ILE 64 1HG2 ILE 64 4.634 8.521 -4.461 509 2HG2 ILE 64 2HG2 ILE 64 3.437 7.928 -3.309 510 3HG2 ILE 64 3HG2 ILE 64 3.469 9.636 -3.748 511 1HD1 ILE 64 1HD1 ILE 64 3.494 7.786 -7.657 512 2HD1 ILE 64 2HD1 ILE 64 2.016 6.832 -7.754 513 3HD1 ILE 64 3HD1 ILE 64 3.574 6.026 -7.594 514 H ASP 65 H ASP 65 0.533 10.683 -5.963 515 HA ASP 65 HA ASP 65 1.331 12.529 -3.950 516 1HB ASP 65 2HB ASP 65 0.346 12.641 -6.656 517 2HB ASP 65 1HB ASP 65 -0.537 13.792 -5.658 518 H PHE 66 H PHE 66 -1.707 10.981 -4.800 519 HA PHE 66 HA PHE 66 -3.407 12.584 -3.231 520 1HB PHE 66 2HB PHE 66 -4.353 11.118 -4.895 521 2HB PHE 66 1HB PHE 66 -3.631 9.704 -4.137 522 HD1 PHE 66 1HD PHE 66 -4.682 8.609 -2.319 523 HD2 PHE 66 2HD PHE 66 -6.246 12.276 -3.808 524 HE1 PHE 66 1HE PHE 66 -6.735 8.259 -1.012 525 HE2 PHE 66 2HE PHE 66 -8.303 11.934 -2.499 526 HZ PHE 66 HZ PHE 66 -8.549 9.923 -1.099 527 H ILE 67 H ILE 67 -1.497 9.700 -2.523 528 HA ILE 67 HA ILE 67 -2.467 9.249 0.086 529 HB ILE 67 HB ILE 67 0.192 8.564 -1.180 530 1HG1 ILE 67 2HG1 ILE 67 -0.895 6.217 -0.926 531 2HG1 ILE 67 1HG1 ILE 67 -2.401 7.108 -0.736 532 1HG2 ILE 67 1HG2 ILE 67 0.659 8.634 1.135 533 2HG2 ILE 67 2HG2 ILE 67 0.383 6.936 0.749 534 3HG2 ILE 67 3HG2 ILE 67 -0.879 7.875 1.544 535 1HD1 ILE 67 1HD1 ILE 67 -0.753 7.851 -3.058 536 2HD1 ILE 67 2HD1 ILE 67 -2.501 7.660 -2.913 537 3HD1 ILE 67 3HD1 ILE 67 -1.470 6.240 -3.089 538 H LYS 68 H LYS 68 0.322 11.093 -1.129 539 HA LYS 68 HA LYS 68 1.058 12.034 1.473 540 1HB LYS 68 2HB LYS 68 2.648 13.469 0.277 541 2HB LYS 68 1HB LYS 68 2.743 11.799 -0.266 542 1HG LYS 68 2HG LYS 68 2.825 12.950 -2.230 543 2HG LYS 68 1HG LYS 68 1.111 12.568 -2.096 544 1HD LYS 68 2HD LYS 68 0.527 14.728 -1.944 545 2HD LYS 68 1HD LYS 68 1.831 15.084 -0.809 546 1HE LYS 68 2HE LYS 68 3.256 15.740 -2.443 547 2HE LYS 68 1HE LYS 68 2.627 14.575 -3.607 548 1HZ LYS 68 1HZ LYS 68 0.915 15.981 -4.214 549 2HZ LYS 68 2HZ LYS 68 2.193 17.067 -3.980 550 3HZ LYS 68 3HZ LYS 68 1.000 16.895 -2.793 551 H GLU 69 H GLU 69 -1.227 12.954 -0.890 552 HA GLU 69 HA GLU 69 -1.401 15.730 -0.324 553 1HB GLU 69 2HB GLU 69 -2.282 14.692 -2.395 554 2HB GLU 69 1HB GLU 69 -3.512 13.880 -1.438 555 1HG GLU 69 2HG GLU 69 -4.203 16.228 -0.686 556 2HG GLU 69 1HG GLU 69 -3.231 16.796 -2.044 557 H ASN 70 H ASN 70 -3.109 12.879 0.856 558 HA ASN 70 HA ASN 70 -4.243 14.529 3.017 559 1HB ASN 70 2HB ASN 70 -5.903 12.366 2.947 560 2HB ASN 70 1HB ASN 70 -6.226 13.891 2.130 561 1HD2 ASN 70 1HD2 ASN 70 -5.099 14.010 -0.097 562 2HD2 ASN 70 2HD2 ASN 70 -5.287 12.616 -1.099 563 H SER 71 H SER 71 -1.729 12.796 2.704 564 HA SER 71 HA SER 71 -1.760 11.756 5.356 565 1HB SER 71 2HB SER 71 -2.457 9.963 3.181 566 2HB SER 71 1HB SER 71 -1.002 9.419 4.015 567 HG SER 71 HG SER 71 -2.163 9.499 5.965 568 HA PRO 72 HA PRO 72 2.341 12.924 3.442 569 1HB PRO 72 2HB PRO 72 2.562 14.759 5.705 570 2HB PRO 72 1HB PRO 72 2.683 15.103 3.978 571 1HG PRO 72 2HG PRO 72 0.587 15.918 5.481 572 2HG PRO 72 1HG PRO 72 0.433 15.505 3.765 573 1HD PRO 72 2HD PRO 72 -0.280 13.883 6.178 574 2HD PRO 72 1HD PRO 72 -1.155 14.064 4.642 575 H ASP 73 H ASP 73 1.202 12.020 6.539 576 HA ASP 73 HA ASP 73 3.876 11.225 7.427 577 1HB ASP 73 2HB ASP 73 2.361 12.547 8.949 578 2HB ASP 73 1HB ASP 73 1.320 11.129 9.024 579 H SER 74 H SER 74 2.511 9.825 5.308 580 HA SER 74 HA SER 74 2.009 7.225 6.596 581 1HB SER 74 2HB SER 74 0.074 8.093 5.355 582 2HB SER 74 1HB SER 74 1.062 8.232 3.901 583 HG SER 74 HG SER 74 0.115 6.303 3.665 584 H VAL 75 H VAL 75 2.203 5.769 4.114 585 HA VAL 75 HA VAL 75 4.866 6.217 3.084 586 HB VAL 75 HB VAL 75 4.326 3.630 4.548 587 1HG1 VAL 75 1HG1 VAL 75 6.167 4.366 2.504 588 2HG1 VAL 75 2HG1 VAL 75 6.039 2.835 3.369 589 3HG1 VAL 75 3HG1 VAL 75 7.075 4.117 3.995 590 1HG2 VAL 75 1HG2 VAL 75 4.604 5.361 6.183 591 2HG2 VAL 75 2HG2 VAL 75 6.002 6.014 5.328 592 3HG2 VAL 75 3HG2 VAL 75 6.101 4.433 6.104 593 H VAL 76 H VAL 76 5.139 5.384 1.100 594 HA VAL 76 HA VAL 76 2.973 3.656 0.077 595 HB VAL 76 HB VAL 76 4.582 5.453 -1.707 596 1HG1 VAL 76 1HG1 VAL 76 2.795 3.496 -2.260 597 2HG1 VAL 76 2HG1 VAL 76 3.120 4.873 -3.312 598 3HG1 VAL 76 3HG1 VAL 76 1.741 4.910 -2.214 599 1HG2 VAL 76 1HG2 VAL 76 2.464 6.226 0.200 600 2HG2 VAL 76 2HG2 VAL 76 2.310 6.859 -1.438 601 3HG2 VAL 76 3HG2 VAL 76 3.767 7.187 -0.501 602 H ILE 77 H ILE 77 3.842 1.658 0.156 603 HA ILE 77 HA ILE 77 6.578 1.171 -0.632 604 HB ILE 77 HB ILE 77 4.402 -0.836 -0.023 605 1HG1 ILE 77 2HG1 ILE 77 4.826 0.702 1.866 606 2HG1 ILE 77 1HG1 ILE 77 5.346 -0.941 2.225 607 1HG2 ILE 77 1HG2 ILE 77 5.950 -2.198 -0.939 608 2HG2 ILE 77 2HG2 ILE 77 6.717 -2.043 0.642 609 3HG2 ILE 77 3HG2 ILE 77 7.261 -1.042 -0.705 610 1HD1 ILE 77 1HD1 ILE 77 7.628 0.131 1.228 611 2HD1 ILE 77 2HD1 ILE 77 7.212 0.057 2.940 612 3HD1 ILE 77 3HD1 ILE 77 6.898 1.527 2.021 613 H VAL 78 H VAL 78 3.390 0.106 -1.830 614 HA VAL 78 HA VAL 78 2.675 -0.557 -3.885 615 HB VAL 78 HB VAL 78 4.957 1.137 -4.920 616 1HG1 VAL 78 1HG1 VAL 78 2.352 0.328 -6.211 617 2HG1 VAL 78 2HG1 VAL 78 3.940 -0.333 -6.600 618 3HG1 VAL 78 3HG1 VAL 78 3.588 1.365 -6.922 619 1HG2 VAL 78 1HG2 VAL 78 2.375 1.831 -3.680 620 2HG2 VAL 78 2HG2 VAL 78 2.770 2.694 -5.168 621 3HG2 VAL 78 3HG2 VAL 78 3.870 2.761 -3.792 622 H ILE 79 H ILE 79 2.942 -2.654 -4.288 623 HA ILE 79 HA ILE 79 5.624 -3.606 -5.054 624 HB ILE 79 HB ILE 79 3.526 -5.536 -4.175 625 1HG1 ILE 79 2HG1 ILE 79 5.210 -3.964 -2.218 626 2HG1 ILE 79 1HG1 ILE 79 3.498 -3.671 -2.502 627 1HG2 ILE 79 1HG2 ILE 79 5.290 -6.875 -4.400 628 2HG2 ILE 79 2HG2 ILE 79 6.009 -6.074 -3.005 629 3HG2 ILE 79 3HG2 ILE 79 6.369 -5.500 -4.634 630 1HD1 ILE 79 1HD1 ILE 79 3.489 -4.990 -0.612 631 2HD1 ILE 79 2HD1 ILE 79 4.822 -5.995 -1.180 632 3HD1 ILE 79 3HD1 ILE 79 3.220 -6.167 -1.897 633 H THR 80 H THR 80 4.699 -6.136 -6.068 634 HA THR 80 HA THR 80 4.091 -7.087 -8.031 635 HB THR 80 HB THR 80 1.898 -5.631 -8.950 636 HG1 THR 80 1HG THR 80 1.831 -5.709 -6.120 637 1HG2 THR 80 1HG2 THR 80 0.540 -7.382 -8.074 638 2HG2 THR 80 2HG2 THR 80 1.794 -7.848 -6.924 639 3HG2 THR 80 3HG2 THR 80 2.050 -8.086 -8.653 640 H GLY 81 H GLY 81 3.778 -6.707 -10.402 641 1HA GLY 81 2HA GLY 81 3.891 -4.949 -12.165 642 2HA GLY 81 1HA GLY 81 5.173 -4.227 -11.204 643 H HIS 82 H HIS 82 4.625 -7.636 -12.015 644 HA HIS 82 HA HIS 82 7.313 -8.181 -12.552 645 1HB HIS 82 2HB HIS 82 6.532 -10.283 -13.516 646 2HB HIS 82 1HB HIS 82 5.642 -9.920 -12.041 647 HD1 HIS 82 1HD HIS 82 5.185 -10.704 -15.576 648 HD2 HIS 82 2HD HIS 82 2.951 -8.923 -12.558 649 HE1 HIS 82 1HE HIS 82 2.810 -10.718 -16.400 650 HE2 HIS 82 2HE HIS 82 1.487 -9.566 -14.592 651 H GLY 83 H GLY 83 8.546 -8.200 -14.382 652 1HA GLY 83 2HA GLY 83 8.937 -8.100 -16.711 653 2HA GLY 83 1HA GLY 83 7.296 -7.516 -16.938 654 H SER 84 H SER 84 10.585 -6.662 -16.445 655 HA SER 84 HA SER 84 11.704 -4.688 -16.587 656 1HB SER 84 2HB SER 84 9.152 -4.119 -17.998 657 2HB SER 84 1HB SER 84 10.124 -2.727 -17.525 658 HG SER 84 HG SER 84 10.949 -4.926 -19.118 659 H VAL 85 H VAL 85 12.130 -2.864 -15.347 660 HA VAL 85 HA VAL 85 10.274 -2.463 -13.102 661 HB VAL 85 HB VAL 85 12.553 -3.241 -12.521 662 1HG1 VAL 85 1HG1 VAL 85 13.512 -0.546 -13.456 663 2HG1 VAL 85 2HG1 VAL 85 13.680 -2.024 -14.403 664 3HG1 VAL 85 3HG1 VAL 85 14.480 -1.884 -12.838 665 1HG2 VAL 85 1HG2 VAL 85 12.373 -0.456 -11.480 666 2HG2 VAL 85 2HG2 VAL 85 12.695 -1.962 -10.622 667 3HG2 VAL 85 3HG2 VAL 85 11.056 -1.581 -11.148 668 H ASP 86 H ASP 86 9.775 -1.182 -15.578 669 HA ASP 86 HA ASP 86 10.688 1.559 -15.328 670 1HB ASP 86 2HB ASP 86 9.391 1.950 -17.378 671 2HB ASP 86 1HB ASP 86 10.458 0.562 -17.559 672 H THR 87 H THR 87 7.978 -0.340 -14.352 673 HA THR 87 HA THR 87 6.188 1.904 -14.041 674 HB THR 87 HB THR 87 5.578 -0.609 -14.425 675 HG1 THR 87 1HG THR 87 4.212 0.956 -12.497 676 1HG2 THR 87 1HG2 THR 87 6.739 -1.542 -12.491 677 2HG2 THR 87 2HG2 THR 87 5.001 -1.834 -12.412 678 3HG2 THR 87 3HG2 THR 87 5.729 -0.572 -11.419 679 H ALA 88 H ALA 88 8.369 0.002 -12.075 680 HA ALA 88 HA ALA 88 7.677 0.881 -9.526 681 1HB ALA 88 1HB ALA 88 9.983 0.316 -8.899 682 2HB ALA 88 2HB ALA 88 10.415 0.218 -10.605 683 3HB ALA 88 3HB ALA 88 9.265 -0.930 -9.921 684 H VAL 89 H VAL 89 10.225 2.124 -11.651 685 HA VAL 89 HA VAL 89 10.924 4.350 -10.134 686 HB VAL 89 HB VAL 89 11.924 5.259 -12.169 687 1HG1 VAL 89 1HG1 VAL 89 12.248 2.406 -11.447 688 2HG1 VAL 89 2HG1 VAL 89 13.410 3.731 -11.386 689 3HG1 VAL 89 3HG1 VAL 89 13.033 2.958 -12.927 690 1HG2 VAL 89 1HG2 VAL 89 11.642 4.026 -14.321 691 2HG2 VAL 89 2HG2 VAL 89 10.192 4.868 -13.776 692 3HG2 VAL 89 3HG2 VAL 89 10.326 3.122 -13.571 693 H LYS 90 H LYS 90 8.208 3.806 -12.230 694 HA LYS 90 HA LYS 90 7.518 6.624 -12.376 695 1HB LYS 90 2HB LYS 90 7.131 5.073 -14.295 696 2HB LYS 90 1HB LYS 90 5.938 4.229 -13.320 697 1HG LYS 90 2HG LYS 90 4.471 6.058 -13.325 698 2HG LYS 90 1HG LYS 90 5.723 7.165 -13.891 699 1HD LYS 90 2HD LYS 90 5.497 5.074 -15.792 700 2HD LYS 90 1HD LYS 90 3.866 5.630 -15.413 701 1HE LYS 90 2HE LYS 90 5.273 7.979 -15.653 702 2HE LYS 90 1HE LYS 90 6.009 6.957 -16.887 703 1HZ LYS 90 1HZ LYS 90 4.283 7.444 -18.167 704 2HZ LYS 90 2HZ LYS 90 3.486 8.247 -16.909 705 3HZ LYS 90 3HZ LYS 90 3.282 6.580 -17.112 706 H ALA 91 H ALA 91 7.667 5.663 -9.756 707 HA ALA 91 HA ALA 91 5.146 6.463 -8.745 708 1HB ALA 91 1HB ALA 91 5.022 4.101 -7.466 709 2HB ALA 91 2HB ALA 91 5.679 3.571 -9.014 710 3HB ALA 91 3HB ALA 91 4.148 4.444 -8.959 711 H ILE 92 H ILE 92 8.178 4.759 -8.134 712 HA ILE 92 HA ILE 92 8.235 5.385 -5.348 713 HB ILE 92 HB ILE 92 10.341 4.343 -5.253 714 1HG1 ILE 92 2HG1 ILE 92 10.530 4.708 -8.253 715 2HG1 ILE 92 1HG1 ILE 92 11.487 5.549 -7.038 716 1HG2 ILE 92 1HG2 ILE 92 9.904 2.394 -7.089 717 2HG2 ILE 92 2HG2 ILE 92 8.309 3.136 -6.997 718 3HG2 ILE 92 3HG2 ILE 92 9.073 2.510 -5.539 719 1HD1 ILE 92 1HD1 ILE 92 12.521 3.439 -6.388 720 2HD1 ILE 92 2HD1 ILE 92 12.759 3.769 -8.104 721 3HD1 ILE 92 3HD1 ILE 92 11.552 2.590 -7.592 722 H LYS 93 H LYS 93 9.370 6.937 -8.251 723 HA LYS 93 HA LYS 93 11.109 8.769 -6.866 724 1HB LYS 93 2HB LYS 93 11.109 7.917 -9.394 725 2HB LYS 93 1HB LYS 93 10.129 9.360 -9.614 726 1HG LYS 93 2HG LYS 93 11.994 10.607 -8.402 727 2HG LYS 93 1HG LYS 93 12.963 9.155 -8.662 728 1HD LYS 93 2HD LYS 93 13.226 9.577 -10.854 729 2HD LYS 93 1HD LYS 93 11.557 10.118 -11.049 730 1HE LYS 93 2HE LYS 93 12.701 12.073 -11.435 731 2HE LYS 93 1HE LYS 93 12.387 12.200 -9.704 732 1HZ LYS 93 1HZ LYS 93 14.908 11.724 -11.106 733 2HZ LYS 93 2HZ LYS 93 14.700 10.978 -9.601 734 3HZ LYS 93 3HZ LYS 93 14.595 12.660 -9.732 735 H LYS 94 H LYS 94 7.763 8.599 -7.581 736 HA LYS 94 HA LYS 94 7.239 11.409 -7.591 737 1HB LYS 94 2HB LYS 94 5.478 8.989 -7.309 738 2HB LYS 94 1HB LYS 94 4.847 10.629 -7.235 739 1HG LYS 94 2HG LYS 94 6.503 10.362 -9.548 740 2HG LYS 94 1HG LYS 94 5.323 9.050 -9.514 741 1HD LYS 94 2HD LYS 94 4.462 11.006 -10.712 742 2HD LYS 94 1HD LYS 94 3.514 10.666 -9.263 743 1HE LYS 94 2HE LYS 94 4.106 12.597 -8.270 744 2HE LYS 94 1HE LYS 94 5.763 12.510 -8.863 745 1HZ LYS 94 1HZ LYS 94 5.269 13.720 -10.676 746 2HZ LYS 94 2HZ LYS 94 3.977 14.276 -9.736 747 3HZ LYS 94 3HZ LYS 94 3.732 13.042 -10.868 748 H GLY 95 H GLY 95 7.673 9.022 -5.135 749 1HA GLY 95 2HA GLY 95 8.158 10.435 -2.981 750 2HA GLY 95 1HA GLY 95 6.435 10.742 -3.109 751 H ALA 96 H ALA 96 7.631 7.609 -4.052 752 HA ALA 96 HA ALA 96 6.173 6.441 -1.824 753 1HB ALA 96 1HB ALA 96 5.789 4.681 -3.156 754 2HB ALA 96 2HB ALA 96 7.470 4.591 -3.681 755 3HB ALA 96 3HB ALA 96 6.362 5.725 -4.455 756 H TYR 97 H TYR 97 7.506 4.023 -1.549 757 HA TYR 97 HA TYR 97 10.024 4.878 -0.279 758 1HB TYR 97 2HB TYR 97 8.215 4.174 1.274 759 2HB TYR 97 1HB TYR 97 8.222 2.587 0.515 760 HD1 TYR 97 1HD TYR 97 10.412 4.968 2.357 761 HD2 TYR 97 2HD TYR 97 9.653 0.918 1.299 762 HE1 TYR 97 1HE TYR 97 12.172 4.239 3.912 763 HE2 TYR 97 2HE TYR 97 11.409 0.178 2.852 764 HH TYR 97 HH TYR 97 12.818 2.254 5.162 765 H GLU 98 H GLU 98 9.531 3.863 -3.027 766 HA GLU 98 HA GLU 98 10.796 2.682 -4.517 767 1HB GLU 98 2HB GLU 98 12.839 1.950 -3.922 768 2HB GLU 98 1HB GLU 98 12.471 2.701 -2.378 769 1HG GLU 98 2HG GLU 98 11.474 0.356 -1.803 770 2HG GLU 98 1HG GLU 98 12.502 -0.183 -3.129 771 H PHE 99 H PHE 99 10.357 0.878 -5.657 772 HA PHE 99 HA PHE 99 8.139 -0.664 -4.994 773 1HB PHE 99 2HB PHE 99 10.017 -0.476 -7.161 774 2HB PHE 99 1HB PHE 99 9.689 -2.167 -6.815 775 HD1 PHE 99 1HD PHE 99 8.348 -2.860 -8.578 776 HD2 PHE 99 2HD PHE 99 7.414 0.755 -6.540 777 HE1 PHE 99 1HE PHE 99 6.241 -2.699 -9.839 778 HE2 PHE 99 2HE PHE 99 5.304 0.923 -7.795 779 HZ PHE 99 HZ PHE 99 4.714 -0.807 -9.445 780 H LEU 100 H LEU 100 7.841 -2.462 -3.830 781 HA LEU 100 HA LEU 100 10.033 -3.561 -2.340 782 1HB LEU 100 2HB LEU 100 7.515 -3.216 -1.673 783 2HB LEU 100 1HB LEU 100 7.308 -4.789 -2.415 784 HG LEU 100 HG LEU 100 7.580 -5.271 -0.152 785 1HD1 LEU 100 1HD1 LEU 100 9.050 -6.607 -1.608 786 2HD1 LEU 100 2HD1 LEU 100 9.686 -6.432 0.027 787 3HD1 LEU 100 3HD1 LEU 100 10.362 -5.473 -1.290 788 1HD2 LEU 100 1HD2 LEU 100 9.472 -2.985 -0.204 789 2HD2 LEU 100 2HD2 LEU 100 9.753 -4.259 0.983 790 3HD2 LEU 100 3HD2 LEU 100 8.217 -3.393 0.966 791 H GLU 101 H GLU 101 11.312 -5.142 -3.017 792 HA GLU 101 HA GLU 101 11.024 -6.488 -5.444 793 1HB GLU 101 2HB GLU 101 12.605 -7.448 -3.055 794 2HB GLU 101 1HB GLU 101 12.885 -7.859 -4.741 795 1HG GLU 101 2HG GLU 101 14.017 -5.974 -5.147 796 2HG GLU 101 1HG GLU 101 12.928 -4.988 -4.170 797 H LYS 102 H LYS 102 11.461 -9.157 -5.050 798 HA LYS 102 HA LYS 102 9.317 -10.229 -3.414 799 1HB LYS 102 2HB LYS 102 9.241 -10.124 -6.397 800 2HB LYS 102 1HB LYS 102 8.610 -11.556 -5.596 801 1HG LYS 102 2HG LYS 102 7.692 -8.721 -5.173 802 2HG LYS 102 1HG LYS 102 6.828 -9.991 -6.040 803 1HD LYS 102 2HD LYS 102 7.419 -11.069 -3.524 804 2HD LYS 102 1HD LYS 102 6.890 -9.414 -3.216 805 1HE LYS 102 2HE LYS 102 5.284 -10.950 -5.158 806 2HE LYS 102 1HE LYS 102 5.207 -11.501 -3.485 807 1HZ LYS 102 1HZ LYS 102 4.678 -9.158 -2.873 808 2HZ LYS 102 2HZ LYS 102 3.489 -9.921 -3.805 809 3HZ LYS 102 3HZ LYS 102 4.538 -8.804 -4.521 810 HA PRO 103 HA PRO 103 13.106 -12.940 -4.181 811 1HB PRO 103 2HB PRO 103 14.279 -12.736 -1.762 812 2HB PRO 103 1HB PRO 103 14.595 -11.583 -3.064 813 1HG PRO 103 2HG PRO 103 12.766 -11.325 -0.708 814 2HG PRO 103 1HG PRO 103 13.884 -10.130 -1.393 815 1HD PRO 103 2HD PRO 103 11.207 -10.125 -1.895 816 2HD PRO 103 1HD PRO 103 12.412 -9.520 -3.049 817 H PHE 104 H PHE 104 10.389 -12.833 -2.242 818 HA PHE 104 HA PHE 104 10.626 -15.677 -1.657 819 1HB PHE 104 2HB PHE 104 11.009 -13.734 0.341 820 2HB PHE 104 1HB PHE 104 9.390 -14.373 0.602 821 HD1 PHE 104 1HD PHE 104 12.959 -15.246 0.390 822 HD2 PHE 104 2HD PHE 104 9.049 -16.572 1.421 823 HE1 PHE 104 1HE PHE 104 13.924 -17.220 1.498 824 HE2 PHE 104 2HE PHE 104 10.006 -18.548 2.531 825 HZ PHE 104 HZ PHE 104 12.448 -18.875 2.570 826 H SER 105 H SER 105 8.350 -13.173 -0.566 827 HA SER 105 HA SER 105 6.369 -13.554 -2.480 828 1HB SER 105 2HB SER 105 6.033 -15.800 -1.839 829 2HB SER 105 1HB SER 105 6.189 -15.424 -0.124 830 HG SER 105 HG SER 105 4.080 -14.519 -1.795 831 H VAL 106 H VAL 106 6.681 -13.292 1.058 832 HA VAL 106 HA VAL 106 5.570 -10.624 0.992 833 HB VAL 106 HB VAL 106 3.533 -12.000 1.050 834 1HG1 VAL 106 1HG1 VAL 106 4.298 -12.982 3.772 835 2HG1 VAL 106 2HG1 VAL 106 4.760 -13.880 2.325 836 3HG1 VAL 106 3HG1 VAL 106 3.057 -13.585 2.673 837 1HG2 VAL 106 1HG2 VAL 106 3.875 -10.773 3.768 838 2HG2 VAL 106 2HG2 VAL 106 2.442 -10.805 2.740 839 3HG2 VAL 106 3HG2 VAL 106 3.816 -9.787 2.307 840 H GLU 107 H GLU 107 6.542 -13.371 3.024 841 HA GLU 107 HA GLU 107 6.982 -12.308 5.446 842 1HB GLU 107 2HB GLU 107 7.600 -14.626 4.558 843 2HB GLU 107 1HB GLU 107 9.155 -13.917 4.143 844 1HG GLU 107 2HG GLU 107 8.606 -13.199 6.811 845 2HG GLU 107 1HG GLU 107 8.243 -14.916 6.648 846 H ARG 108 H ARG 108 9.146 -11.856 2.670 847 HA ARG 108 HA ARG 108 11.106 -10.353 4.038 848 1HB ARG 108 2HB ARG 108 11.286 -11.458 1.740 849 2HB ARG 108 1HB ARG 108 10.429 -10.056 1.115 850 1HG ARG 108 2HG ARG 108 12.466 -9.198 0.816 851 2HG ARG 108 1HG ARG 108 12.419 -8.880 2.552 852 1HD ARG 108 2HD ARG 108 13.431 -11.476 1.426 853 2HD ARG 108 1HD ARG 108 14.479 -10.074 1.630 854 HE ARG 108 HE ARG 108 13.355 -10.351 4.070 855 1HH1 ARG 108 1HH1 ARG 108 15.015 -12.575 1.953 856 2HH1 ARG 108 2HH1 ARG 108 15.644 -13.535 3.249 857 1HH2 ARG 108 1HH2 ARG 108 14.182 -11.612 5.776 858 2HH2 ARG 108 2HH2 ARG 108 15.172 -12.989 5.420 859 H PHE 109 H PHE 109 8.215 -9.442 2.233 860 HA PHE 109 HA PHE 109 8.541 -6.664 2.283 861 1HB PHE 109 2HB PHE 109 6.882 -7.602 0.842 862 2HB PHE 109 1HB PHE 109 6.077 -8.411 2.180 863 HD1 PHE 109 1HD PHE 109 7.237 -4.889 1.923 864 HD2 PHE 109 2HD PHE 109 3.926 -7.551 2.172 865 HE1 PHE 109 1HE PHE 109 5.717 -2.970 2.163 866 HE2 PHE 109 2HE PHE 109 2.400 -5.637 2.413 867 HZ PHE 109 HZ PHE 109 3.295 -3.342 2.410 868 H LEU 110 H LEU 110 7.532 -8.904 4.737 869 HA LEU 110 HA LEU 110 6.150 -7.195 6.460 870 1HB LEU 110 2HB LEU 110 6.795 -9.820 6.462 871 2HB LEU 110 1HB LEU 110 7.849 -9.222 7.727 872 HG LEU 110 HG LEU 110 4.919 -8.580 7.750 873 1HD1 LEU 110 1HD1 LEU 110 4.771 -10.548 9.368 874 2HD1 LEU 110 2HD1 LEU 110 6.266 -11.113 8.623 875 3HD1 LEU 110 3HD1 LEU 110 4.813 -10.912 7.643 876 1HD2 LEU 110 1HD2 LEU 110 7.033 -7.758 9.302 877 2HD2 LEU 110 2HD2 LEU 110 6.337 -9.074 10.248 878 3HD2 LEU 110 3HD2 LEU 110 5.331 -7.708 9.764 879 H LEU 111 H LEU 111 9.598 -8.030 6.373 880 HA LEU 111 HA LEU 111 10.481 -6.640 8.581 881 1HB LEU 111 2HB LEU 111 11.863 -7.012 5.928 882 2HB LEU 111 1HB LEU 111 12.656 -6.446 7.386 883 HG LEU 111 HG LEU 111 11.584 -8.751 8.304 884 1HD1 LEU 111 1HD1 LEU 111 11.749 -8.969 5.364 885 2HD1 LEU 111 2HD1 LEU 111 10.711 -9.814 6.511 886 3HD1 LEU 111 3HD1 LEU 111 12.387 -10.323 6.296 887 1HD2 LEU 111 1HD2 LEU 111 13.786 -8.565 8.791 888 2HD2 LEU 111 2HD2 LEU 111 14.204 -7.962 7.187 889 3HD2 LEU 111 3HD2 LEU 111 13.940 -9.687 7.439 890 H THR 112 H THR 112 10.233 -5.410 5.250 891 HA THR 112 HA THR 112 11.098 -2.802 5.801 892 HB THR 112 HB THR 112 9.196 -3.750 3.648 893 HG1 THR 112 1HG THR 112 11.119 -4.817 3.439 894 1HG2 THR 112 1HG2 THR 112 10.425 -1.787 2.433 895 2HG2 THR 112 2HG2 THR 112 10.595 -1.165 4.074 896 3HG2 THR 112 3HG2 THR 112 8.992 -1.491 3.417 897 H ILE 113 H ILE 113 7.860 -4.225 5.836 898 HA ILE 113 HA ILE 113 6.300 -1.979 6.107 899 HB ILE 113 HB ILE 113 6.018 -4.782 7.081 900 1HG1 ILE 113 2HG1 ILE 113 5.453 -4.125 4.763 901 2HG1 ILE 113 1HG1 ILE 113 4.058 -4.746 5.640 902 1HG2 ILE 113 1HG2 ILE 113 4.357 -2.473 8.037 903 2HG2 ILE 113 2HG2 ILE 113 5.089 -3.775 8.974 904 3HG2 ILE 113 3HG2 ILE 113 3.700 -4.107 7.939 905 1HD1 ILE 113 1HD1 ILE 113 4.234 -1.899 5.941 906 2HD1 ILE 113 2HD1 ILE 113 2.933 -2.882 5.268 907 3HD1 ILE 113 3HD1 ILE 113 4.258 -2.347 4.236 908 H LYS 114 H LYS 114 7.669 -3.859 8.824 909 HA LYS 114 HA LYS 114 6.808 -2.305 10.913 910 1HB LYS 114 2HB LYS 114 8.035 -4.391 11.251 911 2HB LYS 114 1HB LYS 114 9.496 -3.661 10.602 912 1HG LYS 114 2HG LYS 114 8.470 -2.089 12.779 913 2HG LYS 114 1HG LYS 114 8.682 -3.769 13.271 914 1HD LYS 114 2HD LYS 114 10.840 -3.283 13.571 915 2HD LYS 114 1HD LYS 114 10.972 -3.207 11.814 916 1HE LYS 114 2HE LYS 114 11.325 -1.010 11.865 917 2HE LYS 114 1HE LYS 114 9.910 -0.744 12.882 918 1HZ LYS 114 1HZ LYS 114 11.148 -0.689 14.743 919 2HZ LYS 114 2HZ LYS 114 12.398 -0.276 13.679 920 3HZ LYS 114 3HZ LYS 114 12.233 -1.873 14.210 921 H HIS 115 H HIS 115 10.000 -2.035 9.379 922 HA HIS 115 HA HIS 115 10.813 0.338 10.490 923 1HB HIS 115 2HB HIS 115 12.018 -1.285 8.858 924 2HB HIS 115 1HB HIS 115 11.381 -0.226 7.606 925 HD1 HIS 115 1HD HIS 115 12.209 2.304 7.701 926 HD2 HIS 115 2HD HIS 115 14.247 -0.355 10.157 927 HE1 HIS 115 1HE HIS 115 14.330 3.484 8.354 928 HE2 HIS 115 2HE HIS 115 15.502 1.894 9.918 929 H ALA 116 H ALA 116 8.541 -0.174 7.858 930 HA ALA 116 HA ALA 116 8.451 2.448 6.851 931 1HB ALA 116 1HB ALA 116 5.911 0.952 6.896 932 2HB ALA 116 2HB ALA 116 7.277 0.123 6.151 933 3HB ALA 116 3HB ALA 116 6.767 1.700 5.547 934 H PHE 117 H PHE 117 6.707 0.880 9.489 935 HA PHE 117 HA PHE 117 5.087 3.163 10.088 936 1HB PHE 117 2HB PHE 117 5.590 0.500 11.366 937 2HB PHE 117 1HB PHE 117 4.767 1.759 12.283 938 HD1 PHE 117 1HD PHE 117 2.557 2.475 11.699 939 HD2 PHE 117 2HD PHE 117 4.549 -0.509 9.412 940 HE1 PHE 117 1HE PHE 117 0.425 1.885 10.627 941 HE2 PHE 117 2HE PHE 117 2.420 -1.104 8.334 942 HZ PHE 117 HZ PHE 117 0.354 0.098 8.942 943 H GLU 118 H GLU 118 8.128 1.847 11.252 944 HA GLU 118 HA GLU 118 8.387 3.371 13.585 945 1HB GLU 118 2HB GLU 118 9.983 1.565 12.080 946 2HB GLU 118 1HB GLU 118 10.958 2.974 12.476 947 1HG GLU 118 2HG GLU 118 11.187 1.251 14.163 948 2HG GLU 118 1HG GLU 118 10.426 2.693 14.832 949 H GLU 119 H GLU 119 10.474 3.910 10.770 950 HA GLU 119 HA GLU 119 11.134 6.511 11.414 951 1HB GLU 119 2HB GLU 119 11.549 6.688 8.825 952 2HB GLU 119 1HB GLU 119 12.570 5.685 9.846 953 1HG GLU 119 2HG GLU 119 11.651 3.732 9.082 954 2HG GLU 119 1HG GLU 119 10.158 4.513 8.567 955 H TYR 120 H TYR 120 8.258 5.338 10.026 956 HA TYR 120 HA TYR 120 7.346 8.101 9.604 957 1HB TYR 120 2HB TYR 120 7.554 6.044 7.662 958 2HB TYR 120 1HB TYR 120 5.840 6.300 7.963 959 HD1 TYR 120 1HD TYR 120 5.757 9.196 8.506 960 HD2 TYR 120 2HD TYR 120 7.951 7.016 5.585 961 HE1 TYR 120 1HE TYR 120 5.807 11.187 7.066 962 HE2 TYR 120 2HE TYR 120 8.005 9.002 4.135 963 HH TYR 120 HH TYR 120 6.046 11.543 4.422 964 H SER 121 H SER 121 6.958 7.209 12.026 965 HA SER 121 HA SER 121 4.511 5.713 12.308 966 1HB SER 121 2HB SER 121 6.652 6.625 14.046 967 2HB SER 121 1HB SER 121 5.070 6.915 14.769 968 HG SER 121 HG SER 121 5.855 4.430 13.654 Start of MODEL 5 1 1H MET 1 1HT MET 1 -1.888 2.471 17.242 2 2H MET 1 2HT MET 1 -3.156 1.631 16.447 3 3H MET 1 3HT MET 1 -1.704 1.993 15.607 4 HA MET 1 HA MET 1 -0.584 0.654 17.423 5 1HB MET 1 2HB MET 1 -3.030 0.628 18.501 6 2HB MET 1 1HB MET 1 -3.171 -0.819 17.513 7 1HG MET 1 2HG MET 1 -1.347 -1.857 18.630 8 2HG MET 1 1HG MET 1 -0.936 -0.361 19.469 9 1HE MET 1 1HE MET 1 -2.243 0.726 21.261 10 2HE MET 1 2HE MET 1 -1.352 -0.545 22.096 11 3HE MET 1 3HE MET 1 -3.042 -0.244 22.498 12 H LYS 2 H LYS 2 0.062 0.688 15.027 13 HA LYS 2 HA LYS 2 0.671 -0.517 13.199 14 1HB LYS 2 2HB LYS 2 -0.615 -2.866 14.598 15 2HB LYS 2 1HB LYS 2 0.543 -2.937 13.276 16 1HG LYS 2 2HG LYS 2 1.268 -1.596 15.844 17 2HG LYS 2 1HG LYS 2 1.348 -3.353 15.693 18 1HD LYS 2 2HD LYS 2 3.183 -3.274 14.400 19 2HD LYS 2 1HD LYS 2 2.584 -1.900 13.469 20 1HE LYS 2 2HE LYS 2 3.464 -0.352 14.938 21 2HE LYS 2 1HE LYS 2 3.484 -1.489 16.285 22 1HZ LYS 2 1HZ LYS 2 5.199 -2.660 14.623 23 2HZ LYS 2 2HZ LYS 2 5.668 -1.547 15.809 24 3HZ LYS 2 3HZ LYS 2 5.462 -1.041 14.209 25 H ARG 3 H ARG 3 -0.515 0.332 11.590 26 HA ARG 3 HA ARG 3 -2.859 -1.155 10.724 27 1HB ARG 3 2HB ARG 3 -2.900 1.828 11.225 28 2HB ARG 3 1HB ARG 3 -4.141 0.953 10.337 29 1HG ARG 3 2HG ARG 3 -5.154 0.905 12.339 30 2HG ARG 3 1HG ARG 3 -4.099 -0.483 12.606 31 1HD ARG 3 2HD ARG 3 -2.864 0.595 14.137 32 2HD ARG 3 1HD ARG 3 -2.868 2.102 13.222 33 HE ARG 3 HE ARG 3 -4.724 1.308 15.296 34 1HH1 ARG 3 1HH1 ARG 3 -4.092 3.485 12.638 35 2HH1 ARG 3 2HH1 ARG 3 -5.195 4.692 13.204 36 1HH2 ARG 3 1HH2 ARG 3 -6.178 2.896 16.035 37 2HH2 ARG 3 2HH2 ARG 3 -6.379 4.358 15.130 38 H VAL 4 H VAL 4 -2.602 -1.590 8.633 39 HA VAL 4 HA VAL 4 -1.180 0.368 6.952 40 HB VAL 4 HB VAL 4 -0.941 -2.633 6.690 41 1HG1 VAL 4 1HG1 VAL 4 0.170 -0.312 5.170 42 2HG1 VAL 4 2HG1 VAL 4 -0.558 -1.799 4.566 43 3HG1 VAL 4 3HG1 VAL 4 1.066 -1.826 5.252 44 1HG2 VAL 4 1HG2 VAL 4 1.145 -0.699 7.694 45 2HG2 VAL 4 2HG2 VAL 4 1.265 -2.456 7.608 46 3HG2 VAL 4 3HG2 VAL 4 0.144 -1.703 8.741 47 H LEU 5 H LEU 5 -1.725 0.265 4.653 48 HA LEU 5 HA LEU 5 -4.450 -0.773 4.221 49 1HB LEU 5 2HB LEU 5 -4.384 1.666 4.305 50 2HB LEU 5 1HB LEU 5 -3.157 1.690 3.052 51 HG LEU 5 HG LEU 5 -4.823 0.636 1.501 52 1HD1 LEU 5 1HD1 LEU 5 -6.907 0.089 2.122 53 2HD1 LEU 5 2HD1 LEU 5 -7.078 1.505 3.160 54 3HD1 LEU 5 3HD1 LEU 5 -6.234 0.075 3.753 55 1HD2 LEU 5 1HD2 LEU 5 -6.330 2.844 1.620 56 2HD2 LEU 5 2HD2 LEU 5 -4.681 2.838 0.996 57 3HD2 LEU 5 3HD2 LEU 5 -4.995 3.352 2.654 58 H VAL 6 H VAL 6 -4.912 -1.841 2.349 59 HA VAL 6 HA VAL 6 -2.660 -2.349 0.516 60 HB VAL 6 HB VAL 6 -4.869 -4.306 1.135 61 1HG1 VAL 6 1HG1 VAL 6 -2.553 -4.258 -0.668 62 2HG1 VAL 6 2HG1 VAL 6 -4.053 -5.180 -0.767 63 3HG1 VAL 6 3HG1 VAL 6 -2.739 -5.743 0.264 64 1HG2 VAL 6 1HG2 VAL 6 -3.415 -5.451 2.630 65 2HG2 VAL 6 2HG2 VAL 6 -3.447 -3.760 3.131 66 3HG2 VAL 6 3HG2 VAL 6 -2.066 -4.387 2.231 67 H VAL 7 H VAL 7 -3.069 -2.342 -1.661 68 HA VAL 7 HA VAL 7 -5.835 -1.860 -2.530 69 HB VAL 7 HB VAL 7 -3.488 -0.363 -3.698 70 1HG1 VAL 7 1HG1 VAL 7 -5.904 -0.831 -4.790 71 2HG1 VAL 7 2HG1 VAL 7 -4.951 0.622 -5.098 72 3HG1 VAL 7 3HG1 VAL 7 -6.244 0.652 -3.898 73 1HG2 VAL 7 1HG2 VAL 7 -5.197 0.266 -1.354 74 2HG2 VAL 7 2HG2 VAL 7 -4.798 1.584 -2.456 75 3HG2 VAL 7 3HG2 VAL 7 -3.510 0.672 -1.668 76 H ASP 8 H ASP 8 -6.420 -3.301 -4.024 77 HA ASP 8 HA ASP 8 -4.633 -4.039 -6.156 78 1HB ASP 8 2HB ASP 8 -3.758 -5.606 -4.610 79 2HB ASP 8 1HB ASP 8 -5.352 -6.002 -3.979 80 H ASP 9 H ASP 9 -5.702 -5.411 -7.763 81 HA ASP 9 HA ASP 9 -8.533 -4.775 -7.904 82 1HB ASP 9 2HB ASP 9 -7.118 -4.298 -9.850 83 2HB ASP 9 1HB ASP 9 -6.682 -5.999 -9.965 84 H GLU 10 H GLU 10 -8.228 -6.565 -5.950 85 HA GLU 10 HA GLU 10 -9.444 -8.975 -7.087 86 1HB GLU 10 2HB GLU 10 -6.923 -9.215 -6.453 87 2HB GLU 10 1HB GLU 10 -7.519 -9.234 -4.800 88 1HG GLU 10 2HG GLU 10 -9.150 -11.064 -5.889 89 2HG GLU 10 1HG GLU 10 -7.733 -11.267 -6.919 90 H GLU 11 H GLU 11 -11.329 -9.381 -6.138 91 HA GLU 11 HA GLU 11 -12.027 -7.978 -3.693 92 1HB GLU 11 2HB GLU 11 -13.657 -9.695 -5.570 93 2HB GLU 11 1HB GLU 11 -14.308 -8.906 -4.139 94 1HG GLU 11 2HG GLU 11 -14.059 -6.779 -5.046 95 2HG GLU 11 1HG GLU 11 -12.909 -7.330 -6.263 96 H SER 12 H SER 12 -10.155 -9.665 -2.940 97 HA SER 12 HA SER 12 -11.503 -11.406 -1.122 98 1HB SER 12 2HB SER 12 -9.695 -12.741 -3.146 99 2HB SER 12 1HB SER 12 -10.609 -13.521 -1.856 100 HG SER 12 HG SER 12 -12.484 -13.112 -2.934 101 H ILE 13 H ILE 13 -9.722 -9.205 -0.922 102 HA ILE 13 HA ILE 13 -7.880 -8.490 0.188 103 HB ILE 13 HB ILE 13 -8.001 -11.238 1.357 104 1HG1 ILE 13 2HG1 ILE 13 -10.127 -9.958 1.531 105 2HG1 ILE 13 1HG1 ILE 13 -9.411 -10.350 3.091 106 1HG2 ILE 13 1HG2 ILE 13 -5.923 -10.371 1.997 107 2HG2 ILE 13 2HG2 ILE 13 -6.980 -10.049 3.372 108 3HG2 ILE 13 3HG2 ILE 13 -6.584 -8.755 2.242 109 1HD1 ILE 13 1HD1 ILE 13 -8.391 -7.842 2.322 110 2HD1 ILE 13 2HD1 ILE 13 -9.506 -8.214 3.635 111 3HD1 ILE 13 3HD1 ILE 13 -10.131 -7.812 2.036 112 H THR 14 H THR 14 -5.538 -8.974 0.608 113 HA THR 14 HA THR 14 -4.381 -10.157 -1.765 114 HB THR 14 HB THR 14 -2.240 -9.228 -0.783 115 HG1 THR 14 1HG THR 14 -2.714 -7.616 0.913 116 1HG2 THR 14 1HG2 THR 14 -2.668 -6.979 -1.344 117 2HG2 THR 14 2HG2 THR 14 -4.385 -7.137 -0.966 118 3HG2 THR 14 3HG2 THR 14 -3.714 -7.954 -2.377 119 H SER 15 H SER 15 -3.675 -12.174 -1.842 120 HA SER 15 HA SER 15 -3.874 -14.009 0.211 121 1HB SER 15 2HB SER 15 -3.747 -14.745 -2.076 122 2HB SER 15 1HB SER 15 -2.130 -14.069 -2.256 123 HG SER 15 HG SER 15 -2.706 -16.494 -1.558 124 H SER 16 H SER 16 -2.659 -14.655 1.857 125 HA SER 16 HA SER 16 -0.837 -15.034 3.186 126 1HB SER 16 2HB SER 16 0.491 -15.003 1.009 127 2HB SER 16 1HB SER 16 0.871 -13.325 1.399 128 HG SER 16 HG SER 16 1.586 -14.249 3.503 129 H LEU 17 H LEU 17 -1.993 -11.938 2.317 130 HA LEU 17 HA LEU 17 -0.450 -10.467 4.243 131 1HB LEU 17 2HB LEU 17 -2.413 -9.899 2.194 132 2HB LEU 17 1HB LEU 17 -2.799 -9.031 3.660 133 HG LEU 17 HG LEU 17 -1.041 -8.243 1.646 134 1HD1 LEU 17 1HD1 LEU 17 -1.114 -6.264 2.718 135 2HD1 LEU 17 2HD1 LEU 17 -0.773 -6.975 4.296 136 3HD1 LEU 17 3HD1 LEU 17 -2.399 -7.072 3.617 137 1HD2 LEU 17 1HD2 LEU 17 1.132 -8.110 2.571 138 2HD2 LEU 17 2HD2 LEU 17 0.636 -9.797 2.711 139 3HD2 LEU 17 3HD2 LEU 17 0.589 -8.744 4.124 140 H SER 18 H SER 18 -3.803 -11.638 4.086 141 HA SER 18 HA SER 18 -4.756 -10.665 6.480 142 1HB SER 18 2HB SER 18 -6.259 -11.774 4.979 143 2HB SER 18 1HB SER 18 -5.350 -13.281 5.088 144 HG SER 18 HG SER 18 -7.283 -13.205 6.396 145 H ALA 19 H ALA 19 -3.287 -13.885 5.995 146 HA ALA 19 HA ALA 19 -3.254 -14.664 8.666 147 1HB ALA 19 1HB ALA 19 -2.678 -15.964 6.473 148 2HB ALA 19 2HB ALA 19 -1.952 -16.443 8.008 149 3HB ALA 19 3HB ALA 19 -1.027 -15.479 6.857 150 H ILE 20 H ILE 20 -0.761 -12.966 6.792 151 HA ILE 20 HA ILE 20 1.188 -12.836 8.797 152 HB ILE 20 HB ILE 20 0.637 -11.022 6.450 153 1HG1 ILE 20 2HG1 ILE 20 2.900 -12.960 6.875 154 2HG1 ILE 20 1HG1 ILE 20 1.377 -13.429 6.128 155 1HG2 ILE 20 1HG2 ILE 20 2.693 -10.807 8.588 156 2HG2 ILE 20 2HG2 ILE 20 1.846 -9.539 7.702 157 3HG2 ILE 20 3HG2 ILE 20 3.160 -10.427 6.930 158 1HD1 ILE 20 1HD1 ILE 20 3.422 -11.485 5.115 159 2HD1 ILE 20 2HD1 ILE 20 1.788 -11.577 4.458 160 3HD1 ILE 20 3HD1 ILE 20 2.856 -12.978 4.367 161 H LEU 21 H LEU 21 -0.745 -10.048 7.701 162 HA LEU 21 HA LEU 21 -0.264 -8.361 9.803 163 1HB LEU 21 2HB LEU 21 -2.888 -8.661 8.355 164 2HB LEU 21 1HB LEU 21 -2.337 -7.238 9.220 165 HG LEU 21 HG LEU 21 -0.440 -8.082 7.186 166 1HD1 LEU 21 1HD1 LEU 21 -1.757 -8.459 5.455 167 2HD1 LEU 21 2HD1 LEU 21 -2.473 -6.861 5.655 168 3HD1 LEU 21 3HD1 LEU 21 -3.186 -8.255 6.467 169 1HD2 LEU 21 1HD2 LEU 21 -1.806 -5.594 8.086 170 2HD2 LEU 21 2HD2 LEU 21 -0.994 -5.618 6.521 171 3HD2 LEU 21 3HD2 LEU 21 -0.085 -5.967 7.991 172 H GLU 22 H GLU 22 -2.439 -11.092 9.692 173 HA GLU 22 HA GLU 22 -3.839 -10.464 12.103 174 1HB GLU 22 2HB GLU 22 -3.628 -12.905 10.381 175 2HB GLU 22 1HB GLU 22 -4.435 -12.975 11.940 176 1HG GLU 22 2HG GLU 22 -6.104 -11.473 11.270 177 2HG GLU 22 1HG GLU 22 -5.187 -10.958 9.854 178 H GLU 23 H GLU 23 -0.913 -12.199 11.305 179 HA GLU 23 HA GLU 23 -0.664 -13.371 13.932 180 1HB GLU 23 2HB GLU 23 0.234 -14.697 12.201 181 2HB GLU 23 1HB GLU 23 1.054 -13.331 11.461 182 1HG GLU 23 2HG GLU 23 2.879 -13.630 12.687 183 2HG GLU 23 1HG GLU 23 1.953 -13.830 14.172 184 H GLU 24 H GLU 24 0.607 -10.634 12.146 185 HA GLU 24 HA GLU 24 2.563 -9.918 14.106 186 1HB GLU 24 2HB GLU 24 1.370 -8.370 11.805 187 2HB GLU 24 1HB GLU 24 2.691 -7.786 12.808 188 1HG GLU 24 2HG GLU 24 2.979 -10.437 11.501 189 2HG GLU 24 1HG GLU 24 3.124 -8.986 10.510 190 H GLY 25 H GLY 25 -0.777 -9.064 13.470 191 1HA GLY 25 2HA GLY 25 -2.253 -8.319 15.165 192 2HA GLY 25 1HA GLY 25 -0.868 -7.723 16.065 193 H TYR 26 H TYR 26 -1.711 -7.167 12.681 194 HA TYR 26 HA TYR 26 -1.664 -4.280 13.215 195 1HB TYR 26 2HB TYR 26 -1.156 -5.932 10.756 196 2HB TYR 26 1HB TYR 26 -1.521 -4.219 10.628 197 HD1 TYR 26 1HD TYR 26 0.461 -3.262 9.900 198 HD2 TYR 26 2HD TYR 26 0.564 -5.981 13.169 199 HE1 TYR 26 1HE TYR 26 2.827 -2.718 10.264 200 HE2 TYR 26 2HE TYR 26 2.935 -5.445 13.543 201 HH TYR 26 HH TYR 26 4.443 -2.807 12.305 202 H HIS 27 H HIS 27 -2.986 -3.190 11.249 203 HA HIS 27 HA HIS 27 -5.679 -4.372 11.209 204 1HB HIS 27 2HB HIS 27 -5.093 -2.183 12.711 205 2HB HIS 27 1HB HIS 27 -5.504 -1.414 11.182 206 HD1 HIS 27 1HD HIS 27 -7.963 -1.716 10.334 207 HD2 HIS 27 2HD HIS 27 -7.227 -3.253 14.123 208 HE1 HIS 27 1HE HIS 27 -10.228 -2.128 11.344 209 HE2 HIS 27 2HE HIS 27 -9.758 -2.978 13.669 210 HA PRO 28 HA PRO 28 -4.277 -3.409 6.958 211 1HB PRO 28 2HB PRO 28 -4.815 -5.782 5.853 212 2HB PRO 28 1HB PRO 28 -3.369 -5.524 6.836 213 1HG PRO 28 2HG PRO 28 -5.948 -6.842 7.566 214 2HG PRO 28 1HG PRO 28 -4.293 -7.305 7.993 215 1HD PRO 28 2HD PRO 28 -6.025 -5.914 9.644 216 2HD PRO 28 1HD PRO 28 -4.260 -5.920 9.806 217 H ASP 29 H ASP 29 -5.513 -2.409 5.557 218 HA ASP 29 HA ASP 29 -8.325 -3.215 5.266 219 1HB ASP 29 2HB ASP 29 -7.242 -0.682 5.993 220 2HB ASP 29 1HB ASP 29 -7.987 -0.535 4.406 221 H THR 30 H THR 30 -8.644 -4.116 3.322 222 HA THR 30 HA THR 30 -6.827 -3.347 1.151 223 HB THR 30 HB THR 30 -7.250 -5.468 0.150 224 HG1 THR 30 1HG THR 30 -9.449 -5.671 0.500 225 1HG2 THR 30 1HG2 THR 30 -6.255 -6.881 1.619 226 2HG2 THR 30 2HG2 THR 30 -7.261 -6.366 2.972 227 3HG2 THR 30 3HG2 THR 30 -5.928 -5.349 2.428 228 H ALA 31 H ALA 31 -7.516 -2.552 -0.734 229 HA ALA 31 HA ALA 31 -10.391 -1.982 -0.984 230 1HB ALA 31 1HB ALA 31 -9.796 0.105 -1.464 231 2HB ALA 31 2HB ALA 31 -8.858 -0.468 -2.846 232 3HB ALA 31 3HB ALA 31 -8.099 -0.331 -1.260 233 H LYS 32 H LYS 32 -10.422 -1.351 -3.712 234 HA LYS 32 HA LYS 32 -9.596 -3.863 -4.984 235 1HB LYS 32 2HB LYS 32 -12.139 -2.732 -5.952 236 2HB LYS 32 1HB LYS 32 -11.668 -4.409 -5.713 237 1HG LYS 32 2HG LYS 32 -12.194 -4.336 -3.421 238 2HG LYS 32 1HG LYS 32 -12.299 -2.578 -3.428 239 1HD LYS 32 2HD LYS 32 -14.153 -3.242 -5.311 240 2HD LYS 32 1HD LYS 32 -14.294 -4.593 -4.185 241 1HE LYS 32 2HE LYS 32 -14.629 -1.658 -3.611 242 2HE LYS 32 1HE LYS 32 -15.839 -2.934 -3.477 243 1HZ LYS 32 1HZ LYS 32 -14.484 -3.913 -1.685 244 2HZ LYS 32 2HZ LYS 32 -15.041 -2.362 -1.307 245 3HZ LYS 32 3HZ LYS 32 -13.431 -2.591 -1.773 246 H THR 33 H THR 33 -9.466 -0.546 -5.064 247 HA THR 33 HA THR 33 -8.138 -0.481 -7.551 248 HB THR 33 HB THR 33 -9.939 1.315 -8.402 249 HG1 THR 33 1HG THR 33 -11.533 -0.660 -7.147 250 1HG2 THR 33 1HG2 THR 33 -9.118 -1.023 -9.375 251 2HG2 THR 33 2HG2 THR 33 -10.456 -0.109 -10.070 252 3HG2 THR 33 3HG2 THR 33 -10.781 -1.453 -8.975 253 H LEU 34 H LEU 34 -7.592 1.846 -8.157 254 HA LEU 34 HA LEU 34 -6.558 3.160 -5.900 255 1HB LEU 34 2HB LEU 34 -7.029 4.223 -8.688 256 2HB LEU 34 1HB LEU 34 -6.061 5.022 -7.464 257 HG LEU 34 HG LEU 34 -5.415 2.246 -8.425 258 1HD1 LEU 34 1HD1 LEU 34 -3.598 3.679 -9.719 259 2HD1 LEU 34 2HD1 LEU 34 -4.910 4.859 -9.731 260 3HD1 LEU 34 3HD1 LEU 34 -5.153 3.263 -10.441 261 1HD2 LEU 34 1HD2 LEU 34 -4.479 3.445 -6.275 262 2HD2 LEU 34 2HD2 LEU 34 -3.437 4.246 -7.452 263 3HD2 LEU 34 3HD2 LEU 34 -3.428 2.489 -7.317 264 H ARG 35 H ARG 35 -9.590 3.439 -7.582 265 HA ARG 35 HA ARG 35 -10.376 5.934 -6.449 266 1HB ARG 35 2HB ARG 35 -12.105 3.704 -7.545 267 2HB ARG 35 1HB ARG 35 -12.619 5.360 -7.249 268 1HG ARG 35 2HG ARG 35 -10.406 5.615 -8.903 269 2HG ARG 35 1HG ARG 35 -11.277 4.219 -9.539 270 1HD ARG 35 2HD ARG 35 -12.505 5.749 -10.628 271 2HD ARG 35 1HD ARG 35 -13.312 5.964 -9.075 272 HE ARG 35 HE ARG 35 -10.980 7.612 -9.414 273 1HH1 ARG 35 1HH1 ARG 35 -14.417 7.360 -9.968 274 2HH1 ARG 35 2HH1 ARG 35 -14.655 9.074 -10.052 275 1HH2 ARG 35 1HH2 ARG 35 -11.292 9.865 -9.525 276 2HH2 ARG 35 2HH2 ARG 35 -12.881 10.495 -9.800 277 H GLU 36 H GLU 36 -11.005 2.536 -5.669 278 HA GLU 36 HA GLU 36 -12.666 2.996 -3.442 279 1HB GLU 36 2HB GLU 36 -11.281 0.716 -4.646 280 2HB GLU 36 1HB GLU 36 -11.366 0.608 -2.893 281 1HG GLU 36 2HG GLU 36 -13.809 1.243 -4.494 282 2HG GLU 36 1HG GLU 36 -13.248 -0.420 -4.322 283 H ALA 37 H ALA 37 -9.186 2.908 -3.850 284 HA ALA 37 HA ALA 37 -8.563 2.839 -1.067 285 1HB ALA 37 1HB ALA 37 -6.611 4.056 -2.918 286 2HB ALA 37 2HB ALA 37 -7.107 2.405 -3.289 287 3HB ALA 37 3HB ALA 37 -6.397 2.780 -1.719 288 H GLU 38 H GLU 38 -8.610 5.448 -3.499 289 HA GLU 38 HA GLU 38 -7.819 7.578 -1.978 290 1HB GLU 38 2HB GLU 38 -9.974 7.446 -4.082 291 2HB GLU 38 1HB GLU 38 -9.413 8.958 -3.380 292 1HG GLU 38 2HG GLU 38 -7.342 8.811 -4.382 293 2HG GLU 38 1HG GLU 38 -7.456 7.066 -4.600 294 H LYS 39 H LYS 39 -11.087 6.201 -2.158 295 HA LYS 39 HA LYS 39 -12.320 8.004 -0.401 296 1HB LYS 39 2HB LYS 39 -13.623 6.461 -1.760 297 2HB LYS 39 1HB LYS 39 -12.918 5.084 -0.924 298 1HG LYS 39 2HG LYS 39 -14.294 7.061 0.774 299 2HG LYS 39 1HG LYS 39 -15.313 6.125 -0.320 300 1HD LYS 39 2HD LYS 39 -14.715 4.097 0.665 301 2HD LYS 39 1HD LYS 39 -13.267 4.779 1.409 302 1HE LYS 39 2HE LYS 39 -14.518 5.911 3.050 303 2HE LYS 39 1HE LYS 39 -16.029 5.685 2.169 304 1HZ LYS 39 1HZ LYS 39 -14.499 3.718 3.747 305 2HZ LYS 39 2HZ LYS 39 -15.571 3.203 2.543 306 3HZ LYS 39 3HZ LYS 39 -16.139 4.117 3.848 307 H LYS 40 H LYS 40 -10.950 4.778 0.236 308 HA LYS 40 HA LYS 40 -11.253 4.821 3.015 309 1HB LYS 40 2HB LYS 40 -9.209 3.398 1.312 310 2HB LYS 40 1HB LYS 40 -9.462 3.084 3.023 311 1HG LYS 40 2HG LYS 40 -11.916 2.645 2.329 312 2HG LYS 40 1HG LYS 40 -11.242 2.468 0.707 313 1HD LYS 40 2HD LYS 40 -10.191 0.523 1.211 314 2HD LYS 40 1HD LYS 40 -9.854 1.012 2.873 315 1HE LYS 40 2HE LYS 40 -11.404 -0.677 3.164 316 2HE LYS 40 1HE LYS 40 -12.415 0.767 3.196 317 1HZ LYS 40 1HZ LYS 40 -13.046 -1.277 1.724 318 2HZ LYS 40 2HZ LYS 40 -11.967 -0.576 0.628 319 3HZ LYS 40 3HZ LYS 40 -13.312 0.297 1.165 320 H ILE 41 H ILE 41 -8.932 6.394 0.967 321 HA ILE 41 HA ILE 41 -7.187 6.983 3.244 322 HB ILE 41 HB ILE 41 -6.815 7.721 0.345 323 1HG1 ILE 41 2HG1 ILE 41 -5.285 5.564 1.754 324 2HG1 ILE 41 1HG1 ILE 41 -6.872 5.206 1.081 325 1HG2 ILE 41 1HG2 ILE 41 -5.171 8.065 2.804 326 2HG2 ILE 41 2HG2 ILE 41 -5.421 9.168 1.450 327 3HG2 ILE 41 3HG2 ILE 41 -4.357 7.773 1.267 328 1HD1 ILE 41 1HD1 ILE 41 -5.916 4.862 -0.877 329 2HD1 ILE 41 2HD1 ILE 41 -4.350 5.349 -0.232 330 3HD1 ILE 41 3HD1 ILE 41 -5.433 6.558 -0.920 331 H LYS 42 H LYS 42 -9.787 8.384 1.564 332 HA LYS 42 HA LYS 42 -9.027 11.123 1.851 333 1HB LYS 42 2HB LYS 42 -10.835 9.924 0.314 334 2HB LYS 42 1HB LYS 42 -11.885 10.375 1.649 335 1HG LYS 42 2HG LYS 42 -10.231 12.597 0.925 336 2HG LYS 42 1HG LYS 42 -11.050 11.963 -0.504 337 1HD LYS 42 2HD LYS 42 -12.788 12.149 1.835 338 2HD LYS 42 1HD LYS 42 -12.127 13.707 1.334 339 1HE LYS 42 2HE LYS 42 -13.312 13.738 -0.583 340 2HE LYS 42 1HE LYS 42 -13.124 12.005 -0.849 341 1HZ LYS 42 1HZ LYS 42 -14.827 12.766 1.376 342 2HZ LYS 42 2HZ LYS 42 -15.032 11.547 0.222 343 3HZ LYS 42 3HZ LYS 42 -15.423 13.147 -0.161 344 H GLU 43 H GLU 43 -10.015 8.807 4.060 345 HA GLU 43 HA GLU 43 -10.711 10.897 5.991 346 1HB GLU 43 2HB GLU 43 -12.145 8.250 5.732 347 2HB GLU 43 1HB GLU 43 -12.446 9.465 6.965 348 1HG GLU 43 2HG GLU 43 -13.791 10.622 5.633 349 2HG GLU 43 1HG GLU 43 -12.642 10.568 4.297 350 H LEU 44 H LEU 44 -10.219 7.366 5.866 351 HA LEU 44 HA LEU 44 -9.103 7.148 8.426 352 1HB LEU 44 2HB LEU 44 -9.574 5.437 6.170 353 2HB LEU 44 1HB LEU 44 -7.972 5.126 6.810 354 HG LEU 44 HG LEU 44 -9.652 3.632 7.783 355 1HD1 LEU 44 1HD1 LEU 44 -7.651 4.333 9.070 356 2HD1 LEU 44 2HD1 LEU 44 -9.030 3.906 10.085 357 3HD1 LEU 44 3HD1 LEU 44 -8.624 5.601 9.818 358 1HD2 LEU 44 1HD2 LEU 44 -11.642 4.876 7.741 359 2HD2 LEU 44 2HD2 LEU 44 -10.922 6.219 8.629 360 3HD2 LEU 44 3HD2 LEU 44 -11.251 4.694 9.451 361 H PHE 45 H PHE 45 -7.311 8.097 9.122 362 HA PHE 45 HA PHE 45 -5.257 9.017 7.374 363 1HB PHE 45 2HB PHE 45 -5.985 9.897 9.735 364 2HB PHE 45 1HB PHE 45 -4.836 8.701 10.326 365 HD1 PHE 45 1HD PHE 45 -5.140 12.020 9.740 366 HD2 PHE 45 2HD PHE 45 -2.560 8.792 8.723 367 HE1 PHE 45 1HE PHE 45 -3.301 13.611 9.366 368 HE2 PHE 45 2HE PHE 45 -0.717 10.375 8.349 369 HZ PHE 45 HZ PHE 45 -1.085 12.789 8.668 370 H PHE 46 H PHE 46 -5.051 6.775 6.406 371 HA PHE 46 HA PHE 46 -3.811 4.684 7.812 372 1HB PHE 46 2HB PHE 46 -4.066 5.375 4.904 373 2HB PHE 46 1HB PHE 46 -3.054 4.024 5.405 374 HD1 PHE 46 1HD PHE 46 -6.279 4.982 4.438 375 HD2 PHE 46 2HD PHE 46 -4.216 2.330 7.050 376 HE1 PHE 46 1HE PHE 46 -8.269 3.538 4.535 377 HE2 PHE 46 2HE PHE 46 -6.202 0.880 7.151 378 HZ PHE 46 HZ PHE 46 -8.232 1.484 5.893 379 HA PRO 47 HA PRO 47 0.289 6.431 8.008 380 1HB PRO 47 2HB PRO 47 1.370 4.110 9.192 381 2HB PRO 47 1HB PRO 47 0.770 5.544 10.024 382 1HG PRO 47 2HG PRO 47 -0.363 2.959 10.051 383 2HG PRO 47 1HG PRO 47 -1.063 4.437 10.720 384 1HD PRO 47 2HD PRO 47 -1.690 3.026 8.205 385 2HD PRO 47 1HD PRO 47 -2.689 4.133 9.164 386 H VAL 48 H VAL 48 -0.065 3.010 7.073 387 HA VAL 48 HA VAL 48 2.077 3.422 5.095 388 HB VAL 48 HB VAL 48 1.278 0.797 6.347 389 1HG1 VAL 48 1HG1 VAL 48 3.095 1.581 4.197 390 2HG1 VAL 48 2HG1 VAL 48 2.388 0.009 4.571 391 3HG1 VAL 48 3HG1 VAL 48 3.837 0.549 5.419 392 1HG2 VAL 48 1HG2 VAL 48 2.230 1.812 8.156 393 2HG2 VAL 48 2HG2 VAL 48 3.249 2.862 7.171 394 3HG2 VAL 48 3HG2 VAL 48 3.672 1.162 7.376 395 H ILE 49 H ILE 49 1.479 3.322 3.041 396 HA ILE 49 HA ILE 49 -1.059 1.982 2.380 397 HB ILE 49 HB ILE 49 0.369 4.005 0.657 398 1HG1 ILE 49 2HG1 ILE 49 -0.169 5.076 2.783 399 2HG1 ILE 49 1HG1 ILE 49 -1.240 5.671 1.518 400 1HG2 ILE 49 1HG2 ILE 49 -2.488 3.042 0.685 401 2HG2 ILE 49 2HG2 ILE 49 -1.247 2.549 -0.466 402 3HG2 ILE 49 3HG2 ILE 49 -1.798 4.224 -0.429 403 1HD1 ILE 49 1HD1 ILE 49 -2.290 5.167 3.756 404 2HD1 ILE 49 2HD1 ILE 49 -2.029 3.461 3.387 405 3HD1 ILE 49 3HD1 ILE 49 -3.063 4.442 2.346 406 H VAL 50 H VAL 50 -1.026 0.229 1.124 407 HA VAL 50 HA VAL 50 1.453 -0.375 -0.353 408 HB VAL 50 HB VAL 50 -0.417 -2.365 0.939 409 1HG1 VAL 50 1HG1 VAL 50 2.239 -2.820 -0.420 410 2HG1 VAL 50 2HG1 VAL 50 0.666 -3.166 -1.139 411 3HG1 VAL 50 3HG1 VAL 50 1.192 -4.047 0.294 412 1HG2 VAL 50 1HG2 VAL 50 2.380 -2.217 1.807 413 2HG2 VAL 50 2HG2 VAL 50 0.903 -2.403 2.753 414 3HG2 VAL 50 3HG2 VAL 50 1.408 -0.802 2.212 415 H LEU 51 H LEU 51 1.037 0.036 -2.407 416 HA LEU 51 HA LEU 51 -1.571 -0.550 -3.557 417 1HB LEU 51 2HB LEU 51 -0.589 1.543 -4.193 418 2HB LEU 51 1HB LEU 51 0.904 0.759 -4.675 419 HG LEU 51 HG LEU 51 -0.447 -0.427 -6.470 420 1HD1 LEU 51 1HD1 LEU 51 -2.549 0.593 -7.126 421 2HD1 LEU 51 2HD1 LEU 51 -2.463 1.696 -5.753 422 3HD1 LEU 51 3HD1 LEU 51 -2.656 -0.036 -5.482 423 1HD2 LEU 51 1HD2 LEU 51 0.994 1.760 -6.614 424 2HD2 LEU 51 2HD2 LEU 51 -0.572 2.514 -6.916 425 3HD2 LEU 51 3HD2 LEU 51 0.011 1.233 -7.980 426 H ASP 52 H ASP 52 -1.839 -1.862 -5.433 427 HA ASP 52 HA ASP 52 0.319 -3.702 -6.104 428 1HB ASP 52 2HB ASP 52 -1.583 -4.454 -4.240 429 2HB ASP 52 1HB ASP 52 -2.207 -5.129 -5.741 430 H VAL 53 H VAL 53 0.455 -3.405 -8.229 431 HA VAL 53 HA VAL 53 -1.907 -2.851 -9.818 432 HB VAL 53 HB VAL 53 1.011 -3.037 -10.584 433 1HG1 VAL 53 1HG1 VAL 53 0.076 -3.494 -12.613 434 2HG1 VAL 53 2HG1 VAL 53 -0.023 -1.733 -12.645 435 3HG1 VAL 53 3HG1 VAL 53 -1.443 -2.691 -12.221 436 1HG2 VAL 53 1HG2 VAL 53 1.167 -0.806 -10.285 437 2HG2 VAL 53 2HG2 VAL 53 -0.173 -1.078 -9.170 438 3HG2 VAL 53 3HG2 VAL 53 -0.491 -0.510 -10.810 439 H TRP 54 H TRP 54 -2.765 -5.057 -9.233 440 HA TRP 54 HA TRP 54 -1.556 -7.369 -10.387 441 1HB TRP 54 2HB TRP 54 -3.025 -7.613 -8.475 442 2HB TRP 54 1HB TRP 54 -4.361 -6.883 -9.358 443 HD1 TRP 54 HD TRP 54 -6.065 -8.720 -9.860 444 HE1 TRP 54 1HE TRP 54 -5.970 -11.147 -10.708 445 HE3 TRP 54 3HE TRP 54 -0.993 -9.301 -10.092 446 HZ2 TRP 54 2HZ TRP 54 -4.005 -13.058 -11.385 447 HZ3 TRP 54 3HZ TRP 54 -0.085 -11.460 -10.849 448 HH2 TRP 54 HH TRP 54 -1.563 -13.298 -11.482 449 H MET 55 H MET 55 -4.851 -6.289 -11.136 450 HA MET 55 HA MET 55 -4.217 -6.032 -13.952 451 1HB MET 55 2HB MET 55 -5.354 -8.449 -12.853 452 2HB MET 55 1HB MET 55 -6.480 -7.702 -13.977 453 1HG MET 55 2HG MET 55 -5.356 -8.743 -15.577 454 2HG MET 55 1HG MET 55 -4.090 -7.546 -15.316 455 1HE MET 55 1HE MET 55 -4.457 -11.779 -14.883 456 2HE MET 55 2HE MET 55 -5.677 -10.665 -14.265 457 3HE MET 55 3HE MET 55 -4.541 -11.435 -13.156 458 HA PRO 56 HA PRO 56 -7.849 -3.506 -12.456 459 1HB PRO 56 2HB PRO 56 -6.378 -1.153 -11.959 460 2HB PRO 56 1HB PRO 56 -7.022 -2.264 -10.752 461 1HG PRO 56 2HG PRO 56 -4.315 -1.783 -11.298 462 2HG PRO 56 1HG PRO 56 -4.971 -3.104 -10.322 463 1HD PRO 56 2HD PRO 56 -4.062 -3.111 -13.161 464 2HD PRO 56 1HD PRO 56 -3.963 -4.392 -11.937 465 H ASP 57 H ASP 57 -7.796 -0.758 -13.083 466 HA ASP 57 HA ASP 57 -6.973 -0.566 -15.872 467 1HB ASP 57 2HB ASP 57 -9.843 -0.201 -14.995 468 2HB ASP 57 1HB ASP 57 -9.216 0.157 -16.601 469 H GLY 58 H GLY 58 -6.033 0.738 -13.520 470 1HA GLY 58 2HA GLY 58 -6.579 3.503 -14.314 471 2HA GLY 58 1HA GLY 58 -6.828 3.073 -12.629 472 H ASP 59 H ASP 59 -4.777 4.667 -14.450 473 HA ASP 59 HA ASP 59 -2.239 3.585 -13.994 474 1HB ASP 59 2HB ASP 59 -3.341 6.128 -14.881 475 2HB ASP 59 1HB ASP 59 -1.880 6.348 -13.922 476 H GLY 60 H GLY 60 -0.744 3.794 -12.363 477 1HA GLY 60 2HA GLY 60 -1.844 4.663 -9.783 478 2HA GLY 60 1HA GLY 60 -0.476 3.583 -10.005 479 H VAL 61 H VAL 61 0.576 5.502 -12.111 480 HA VAL 61 HA VAL 61 2.454 6.830 -10.592 481 HB VAL 61 HB VAL 61 1.442 7.761 -13.276 482 1HG1 VAL 61 1HG1 VAL 61 4.123 8.008 -11.927 483 2HG1 VAL 61 2HG1 VAL 61 2.962 9.308 -12.198 484 3HG1 VAL 61 3HG1 VAL 61 3.753 8.529 -13.570 485 1HG2 VAL 61 1HG2 VAL 61 3.200 5.458 -12.520 486 2HG2 VAL 61 2HG2 VAL 61 3.412 6.280 -14.066 487 3HG2 VAL 61 3HG2 VAL 61 1.870 5.515 -13.678 488 H ASN 62 H ASN 62 -0.587 8.116 -11.930 489 HA ASN 62 HA ASN 62 -0.217 10.710 -10.850 490 1HB ASN 62 2HB ASN 62 -2.553 10.993 -11.621 491 2HB ASN 62 1HB ASN 62 -1.488 10.379 -12.866 492 1HD2 ASN 62 1HD2 ASN 62 -3.855 9.400 -10.442 493 2HD2 ASN 62 2HD2 ASN 62 -4.439 8.026 -11.310 494 H PHE 63 H PHE 63 -1.017 7.816 -9.363 495 HA PHE 63 HA PHE 63 -2.989 8.894 -7.543 496 1HB PHE 63 2HB PHE 63 -3.104 6.535 -8.243 497 2HB PHE 63 1HB PHE 63 -1.548 6.236 -7.472 498 HD1 PHE 63 1HD PHE 63 -4.444 8.226 -6.268 499 HD2 PHE 63 2HD PHE 63 -2.009 4.779 -5.722 500 HE1 PHE 63 1HE PHE 63 -5.586 7.763 -4.139 501 HE2 PHE 63 2HE PHE 63 -3.149 4.310 -3.591 502 HZ PHE 63 HZ PHE 63 -4.940 5.805 -2.798 503 H ILE 64 H ILE 64 0.449 8.149 -7.509 504 HA ILE 64 HA ILE 64 1.087 8.174 -4.862 505 HB ILE 64 HB ILE 64 2.609 9.593 -7.050 506 1HG1 ILE 64 2HG1 ILE 64 3.857 7.179 -6.363 507 2HG1 ILE 64 1HG1 ILE 64 2.140 6.798 -6.449 508 1HG2 ILE 64 1HG2 ILE 64 4.561 8.944 -5.453 509 2HG2 ILE 64 2HG2 ILE 64 3.298 8.925 -4.222 510 3HG2 ILE 64 3HG2 ILE 64 3.615 10.399 -5.136 511 1HD1 ILE 64 1HD1 ILE 64 3.407 8.353 -8.648 512 2HD1 ILE 64 2HD1 ILE 64 2.013 7.275 -8.687 513 3HD1 ILE 64 3HD1 ILE 64 3.639 6.609 -8.559 514 H ASP 65 H ASP 65 0.001 10.890 -6.764 515 HA ASP 65 HA ASP 65 0.809 12.898 -4.905 516 1HB ASP 65 2HB ASP 65 0.324 13.286 -7.353 517 2HB ASP 65 1HB ASP 65 -1.387 13.113 -6.976 518 H PHE 66 H PHE 66 -2.398 11.401 -5.605 519 HA PHE 66 HA PHE 66 -3.890 12.768 -3.751 520 1HB PHE 66 2HB PHE 66 -4.838 11.173 -5.359 521 2HB PHE 66 1HB PHE 66 -4.093 9.838 -4.489 522 HD1 PHE 66 1HD PHE 66 -4.769 9.620 -1.973 523 HD2 PHE 66 2HD PHE 66 -7.012 11.751 -4.896 524 HE1 PHE 66 1HE PHE 66 -6.779 9.421 -0.572 525 HE2 PHE 66 2HE PHE 66 -9.027 11.553 -3.498 526 HZ PHE 66 HZ PHE 66 -8.912 10.387 -1.332 527 H ILE 67 H ILE 67 -1.816 9.947 -3.254 528 HA ILE 67 HA ILE 67 -2.476 9.504 -0.550 529 HB ILE 67 HB ILE 67 0.068 8.853 -2.048 530 1HG1 ILE 67 2HG1 ILE 67 -1.230 6.498 -1.553 531 2HG1 ILE 67 1HG1 ILE 67 -2.584 7.594 -1.804 532 1HG2 ILE 67 1HG2 ILE 67 0.883 8.564 0.039 533 2HG2 ILE 67 2HG2 ILE 67 -0.007 7.044 -0.059 534 3HG2 ILE 67 3HG2 ILE 67 -0.720 8.432 0.763 535 1HD1 ILE 67 1HD1 ILE 67 -0.604 8.015 -3.826 536 2HD1 ILE 67 2HD1 ILE 67 -2.290 7.523 -3.990 537 3HD1 ILE 67 3HD1 ILE 67 -1.037 6.308 -3.741 538 H LYS 68 H LYS 68 0.228 11.301 -2.040 539 HA LYS 68 HA LYS 68 1.198 12.236 0.481 540 1HB LYS 68 2HB LYS 68 2.685 13.663 -0.858 541 2HB LYS 68 1HB LYS 68 2.703 11.998 -1.423 542 1HG LYS 68 2HG LYS 68 2.530 13.009 -3.410 543 2HG LYS 68 1HG LYS 68 0.817 12.946 -3.010 544 1HD LYS 68 2HD LYS 68 0.661 15.182 -2.776 545 2HD LYS 68 1HD LYS 68 2.230 15.300 -1.977 546 1HE LYS 68 2HE LYS 68 3.259 14.901 -4.262 547 2HE LYS 68 1HE LYS 68 1.646 15.165 -4.925 548 1HZ LYS 68 1HZ LYS 68 1.897 17.307 -3.370 549 2HZ LYS 68 2HZ LYS 68 2.354 17.284 -4.998 550 3HZ LYS 68 3HZ LYS 68 3.519 17.071 -3.789 551 H GLU 69 H GLU 69 -1.355 13.165 -1.553 552 HA GLU 69 HA GLU 69 -1.410 15.952 -0.959 553 1HB GLU 69 2HB GLU 69 -2.515 14.719 -2.924 554 2HB GLU 69 1HB GLU 69 -3.786 14.313 -1.782 555 1HG GLU 69 2HG GLU 69 -3.341 17.077 -1.533 556 2HG GLU 69 1HG GLU 69 -3.385 16.721 -3.260 557 H ASN 70 H ASN 70 -3.315 13.176 0.170 558 HA ASN 70 HA ASN 70 -4.114 14.770 2.511 559 1HB ASN 70 2HB ASN 70 -5.524 12.279 1.570 560 2HB ASN 70 1HB ASN 70 -6.136 13.556 2.618 561 1HD2 ASN 70 1HD2 ASN 70 -5.020 12.932 -0.676 562 2HD2 ASN 70 2HD2 ASN 70 -6.053 14.088 -1.436 563 H SER 71 H SER 71 -1.675 13.019 1.969 564 HA SER 71 HA SER 71 -1.556 11.853 4.576 565 1HB SER 71 2HB SER 71 -2.326 10.182 2.328 566 2HB SER 71 1HB SER 71 -0.831 9.613 3.067 567 HG SER 71 HG SER 71 -1.965 9.697 5.101 568 HA PRO 72 HA PRO 72 2.453 13.059 2.514 569 1HB PRO 72 2HB PRO 72 2.770 15.117 4.519 570 2HB PRO 72 1HB PRO 72 2.640 15.299 2.770 571 1HG PRO 72 2HG PRO 72 0.722 16.125 4.541 572 2HG PRO 72 1HG PRO 72 0.396 15.697 2.854 573 1HD PRO 72 2HD PRO 72 -0.033 14.090 5.339 574 2HD PRO 72 1HD PRO 72 -1.042 14.211 3.882 575 H ASP 73 H ASP 73 1.351 12.230 5.609 576 HA ASP 73 HA ASP 73 4.073 11.632 6.539 577 1HB ASP 73 2HB ASP 73 2.110 12.990 7.846 578 2HB ASP 73 1HB ASP 73 1.885 11.359 8.469 579 H SER 74 H SER 74 2.387 10.036 4.658 580 HA SER 74 HA SER 74 2.077 7.587 6.257 581 1HB SER 74 2HB SER 74 0.038 8.308 5.088 582 2HB SER 74 1HB SER 74 0.902 8.265 3.550 583 HG SER 74 HG SER 74 -0.103 6.195 5.086 584 H VAL 75 H VAL 75 2.230 5.632 4.433 585 HA VAL 75 HA VAL 75 4.891 5.954 3.210 586 HB VAL 75 HB VAL 75 3.871 3.400 4.459 587 1HG1 VAL 75 1HG1 VAL 75 6.425 4.236 3.147 588 2HG1 VAL 75 2HG1 VAL 75 5.466 2.778 2.899 589 3HG1 VAL 75 3HG1 VAL 75 6.427 2.963 4.366 590 1HG2 VAL 75 1HG2 VAL 75 4.248 4.466 6.404 591 2HG2 VAL 75 2HG2 VAL 75 5.218 5.727 5.644 592 3HG2 VAL 75 3HG2 VAL 75 5.944 4.166 6.024 593 H VAL 76 H VAL 76 5.345 4.411 1.479 594 HA VAL 76 HA VAL 76 2.976 3.371 0.101 595 HB VAL 76 HB VAL 76 4.983 4.789 -1.582 596 1HG1 VAL 76 1HG1 VAL 76 3.047 3.359 -2.414 597 2HG1 VAL 76 2HG1 VAL 76 3.220 4.966 -3.120 598 3HG1 VAL 76 3HG1 VAL 76 1.998 4.673 -1.881 599 1HG2 VAL 76 1HG2 VAL 76 2.952 6.114 0.172 600 2HG2 VAL 76 2HG2 VAL 76 3.381 6.819 -1.387 601 3HG2 VAL 76 3HG2 VAL 76 4.621 6.582 -0.155 602 H ILE 77 H ILE 77 3.454 1.264 0.064 603 HA ILE 77 HA ILE 77 6.156 0.453 -0.771 604 HB ILE 77 HB ILE 77 4.066 -1.278 0.548 605 1HG1 ILE 77 2HG1 ILE 77 4.690 0.503 2.081 606 2HG1 ILE 77 1HG1 ILE 77 5.415 -1.012 2.609 607 1HG2 ILE 77 1HG2 ILE 77 6.340 -1.983 -0.836 608 2HG2 ILE 77 2HG2 ILE 77 5.493 -2.982 0.344 609 3HG2 ILE 77 3HG2 ILE 77 6.869 -2.001 0.846 610 1HD1 ILE 77 1HD1 ILE 77 7.360 0.076 1.008 611 2HD1 ILE 77 2HD1 ILE 77 7.306 0.143 2.770 612 3HD1 ILE 77 3HD1 ILE 77 6.668 1.482 1.817 613 H VAL 78 H VAL 78 4.406 1.363 -2.734 614 HA VAL 78 HA VAL 78 2.752 -0.382 -4.036 615 HB VAL 78 HB VAL 78 4.793 1.415 -5.363 616 1HG1 VAL 78 1HG1 VAL 78 2.246 0.173 -6.395 617 2HG1 VAL 78 2HG1 VAL 78 3.888 -0.112 -6.975 618 3HG1 VAL 78 3HG1 VAL 78 3.126 1.460 -7.219 619 1HG2 VAL 78 1HG2 VAL 78 2.402 2.713 -5.496 620 2HG2 VAL 78 2HG2 VAL 78 3.654 3.023 -4.293 621 3HG2 VAL 78 3HG2 VAL 78 2.308 1.952 -3.908 622 H ILE 79 H ILE 79 3.270 -2.529 -4.004 623 HA ILE 79 HA ILE 79 5.845 -3.530 -4.669 624 HB ILE 79 HB ILE 79 3.259 -5.069 -4.596 625 1HG1 ILE 79 2HG1 ILE 79 5.225 -4.766 -2.339 626 2HG1 ILE 79 1HG1 ILE 79 3.828 -3.711 -2.519 627 1HG2 ILE 79 1HG2 ILE 79 5.095 -6.809 -3.784 628 2HG2 ILE 79 2HG2 ILE 79 6.126 -5.788 -4.787 629 3HG2 ILE 79 3HG2 ILE 79 4.711 -6.574 -5.489 630 1HD1 ILE 79 1HD1 ILE 79 3.444 -5.544 -0.939 631 2HD1 ILE 79 2HD1 ILE 79 3.704 -6.701 -2.244 632 3HD1 ILE 79 3HD1 ILE 79 2.336 -5.590 -2.310 633 H THR 80 H THR 80 3.299 -5.148 -6.303 634 HA THR 80 HA THR 80 2.816 -5.516 -8.495 635 HB THR 80 HB THR 80 2.851 -3.763 -9.985 636 HG1 THR 80 1HG THR 80 4.593 -2.682 -10.445 637 1HG2 THR 80 1HG2 THR 80 2.246 -2.982 -7.464 638 2HG2 THR 80 2HG2 THR 80 2.053 -1.984 -8.903 639 3HG2 THR 80 3HG2 THR 80 3.493 -1.817 -7.902 640 H GLY 81 H GLY 81 3.718 -6.968 -9.821 641 1HA GLY 81 2HA GLY 81 6.663 -6.952 -10.071 642 2HA GLY 81 1HA GLY 81 5.758 -8.434 -9.806 643 H HIS 82 H HIS 82 5.226 -9.584 -11.535 644 HA HIS 82 HA HIS 82 4.897 -10.215 -13.691 645 1HB HIS 82 2HB HIS 82 3.995 -7.355 -13.772 646 2HB HIS 82 1HB HIS 82 4.090 -8.288 -15.261 647 HD1 HIS 82 1HD HIS 82 2.053 -9.574 -15.831 648 HD2 HIS 82 2HD HIS 82 2.261 -8.715 -11.771 649 HE1 HIS 82 1HE HIS 82 -0.101 -10.425 -14.852 650 HE2 HIS 82 2HE HIS 82 0.009 -9.812 -12.411 651 H GLY 83 H GLY 83 6.010 -6.927 -14.439 652 1HA GLY 83 2HA GLY 83 8.708 -7.438 -14.833 653 2HA GLY 83 1HA GLY 83 7.906 -7.866 -16.336 654 H SER 84 H SER 84 7.435 -5.223 -13.992 655 HA SER 84 HA SER 84 7.953 -3.318 -16.175 656 1HB SER 84 2HB SER 84 5.450 -3.744 -15.326 657 2HB SER 84 1HB SER 84 5.946 -2.570 -14.108 658 HG SER 84 HG SER 84 5.031 -1.574 -15.961 659 H VAL 85 H VAL 85 10.090 -3.183 -15.245 660 HA VAL 85 HA VAL 85 10.446 -2.242 -12.562 661 HB VAL 85 HB VAL 85 12.179 -3.578 -13.677 662 1HG1 VAL 85 1HG1 VAL 85 11.705 -2.128 -15.889 663 2HG1 VAL 85 2HG1 VAL 85 13.187 -3.046 -15.624 664 3HG1 VAL 85 3HG1 VAL 85 13.153 -1.313 -15.297 665 1HG2 VAL 85 1HG2 VAL 85 13.532 -0.970 -13.281 666 2HG2 VAL 85 2HG2 VAL 85 13.905 -2.556 -12.606 667 3HG2 VAL 85 3HG2 VAL 85 12.578 -1.605 -11.940 668 H ASP 86 H ASP 86 10.135 -0.774 -15.715 669 HA ASP 86 HA ASP 86 11.111 1.800 -14.995 670 1HB ASP 86 2HB ASP 86 10.053 2.546 -17.098 671 2HB ASP 86 1HB ASP 86 11.021 1.093 -17.330 672 H THR 87 H THR 87 8.239 0.157 -14.232 673 HA THR 87 HA THR 87 6.588 2.518 -14.006 674 HB THR 87 HB THR 87 5.875 0.005 -14.423 675 HG1 THR 87 1HG THR 87 4.056 1.007 -14.331 676 1HG2 THR 87 1HG2 THR 87 6.831 -0.592 -12.071 677 2HG2 THR 87 2HG2 THR 87 5.313 -1.298 -12.626 678 3HG2 THR 87 3HG2 THR 87 5.294 0.062 -11.503 679 H ALA 88 H ALA 88 8.545 0.479 -11.953 680 HA ALA 88 HA ALA 88 7.756 1.416 -9.441 681 1HB ALA 88 1HB ALA 88 10.583 0.670 -10.131 682 2HB ALA 88 2HB ALA 88 9.302 -0.535 -10.006 683 3HB ALA 88 3HB ALA 88 9.729 0.446 -8.605 684 H VAL 89 H VAL 89 10.536 2.396 -11.407 685 HA VAL 89 HA VAL 89 11.322 4.569 -9.843 686 HB VAL 89 HB VAL 89 12.618 5.315 -11.752 687 1HG1 VAL 89 1HG1 VAL 89 13.206 3.193 -10.461 688 2HG1 VAL 89 2HG1 VAL 89 13.990 3.432 -12.023 689 3HG1 VAL 89 3HG1 VAL 89 12.632 2.315 -11.879 690 1HG2 VAL 89 1HG2 VAL 89 12.389 4.310 -13.956 691 2HG2 VAL 89 2HG2 VAL 89 10.878 5.075 -13.466 692 3HG2 VAL 89 3HG2 VAL 89 11.046 3.321 -13.383 693 H LYS 90 H LYS 90 8.826 4.275 -12.270 694 HA LYS 90 HA LYS 90 8.472 7.092 -12.654 695 1HB LYS 90 2HB LYS 90 7.843 5.499 -14.393 696 2HB LYS 90 1HB LYS 90 6.661 4.764 -13.318 697 1HG LYS 90 2HG LYS 90 5.275 6.676 -13.377 698 2HG LYS 90 1HG LYS 90 6.533 7.652 -14.139 699 1HD LYS 90 2HD LYS 90 5.327 5.219 -15.441 700 2HD LYS 90 1HD LYS 90 4.683 6.847 -15.661 701 1HE LYS 90 2HE LYS 90 6.885 7.572 -16.504 702 2HE LYS 90 1HE LYS 90 7.469 5.917 -16.345 703 1HZ LYS 90 1HZ LYS 90 6.793 6.411 -18.612 704 2HZ LYS 90 2HZ LYS 90 5.231 6.794 -18.090 705 3HZ LYS 90 3HZ LYS 90 5.807 5.210 -17.945 706 H ALA 91 H ALA 91 7.603 4.963 -10.166 707 HA ALA 91 HA ALA 91 5.480 6.800 -9.265 708 1HB ALA 91 1HB ALA 91 4.650 4.867 -7.912 709 2HB ALA 91 2HB ALA 91 5.823 3.851 -8.751 710 3HB ALA 91 3HB ALA 91 4.534 4.644 -9.657 711 H ILE 92 H ILE 92 8.330 4.967 -8.314 712 HA ILE 92 HA ILE 92 8.240 5.909 -5.595 713 HB ILE 92 HB ILE 92 10.066 4.569 -5.145 714 1HG1 ILE 92 2HG1 ILE 92 10.855 4.901 -8.044 715 2HG1 ILE 92 1HG1 ILE 92 11.709 5.495 -6.624 716 1HG2 ILE 92 1HG2 ILE 92 9.578 2.787 -7.345 717 2HG2 ILE 92 2HG2 ILE 92 8.063 3.498 -6.791 718 3HG2 ILE 92 3HG2 ILE 92 9.097 2.638 -5.656 719 1HD1 ILE 92 1HD1 ILE 92 12.792 3.547 -7.663 720 2HD1 ILE 92 2HD1 ILE 92 11.351 2.590 -7.324 721 3HD1 ILE 92 3HD1 ILE 92 12.305 3.248 -5.994 722 H LYS 93 H LYS 93 10.329 6.918 -4.696 723 HA LYS 93 HA LYS 93 11.828 8.628 -4.597 724 1HB LYS 93 2HB LYS 93 11.874 7.917 -7.408 725 2HB LYS 93 1HB LYS 93 12.095 9.647 -7.192 726 1HG LYS 93 2HG LYS 93 14.255 9.008 -7.034 727 2HG LYS 93 1HG LYS 93 13.804 8.795 -5.342 728 1HD LYS 93 2HD LYS 93 13.612 6.468 -5.570 729 2HD LYS 93 1HD LYS 93 13.553 6.560 -7.332 730 1HE LYS 93 2HE LYS 93 15.709 5.765 -6.804 731 2HE LYS 93 1HE LYS 93 15.916 7.465 -7.225 732 1HZ LYS 93 1HZ LYS 93 16.547 7.988 -5.150 733 2HZ LYS 93 2HZ LYS 93 16.916 6.343 -5.022 734 3HZ LYS 93 3HZ LYS 93 15.450 6.928 -4.415 735 H LYS 94 H LYS 94 9.199 9.171 -6.912 736 HA LYS 94 HA LYS 94 9.016 11.950 -6.587 737 1HB LYS 94 2HB LYS 94 7.825 10.135 -8.207 738 2HB LYS 94 1HB LYS 94 6.505 10.515 -7.111 739 1HG LYS 94 2HG LYS 94 7.866 12.900 -8.025 740 2HG LYS 94 1HG LYS 94 7.248 11.933 -9.365 741 1HD LYS 94 2HD LYS 94 5.095 11.836 -7.835 742 2HD LYS 94 1HD LYS 94 5.781 13.324 -7.180 743 1HE LYS 94 2HE LYS 94 4.262 13.893 -8.950 744 2HE LYS 94 1HE LYS 94 5.907 14.220 -9.491 745 1HZ LYS 94 1HZ LYS 94 5.904 12.263 -10.803 746 2HZ LYS 94 2HZ LYS 94 4.462 13.078 -11.147 747 3HZ LYS 94 3HZ LYS 94 4.445 11.722 -10.136 748 H GLY 95 H GLY 95 8.037 9.337 -4.575 749 1HA GLY 95 2HA GLY 95 7.506 10.883 -2.342 750 2HA GLY 95 1HA GLY 95 5.962 10.651 -3.149 751 H ALA 96 H ALA 96 6.740 7.974 -4.137 752 HA ALA 96 HA ALA 96 5.705 6.446 -2.025 753 1HB ALA 96 1HB ALA 96 5.627 4.749 -3.505 754 2HB ALA 96 2HB ALA 96 7.290 4.996 -4.038 755 3HB ALA 96 3HB ALA 96 5.999 6.020 -4.669 756 H TYR 97 H TYR 97 6.928 4.310 -1.389 757 HA TYR 97 HA TYR 97 9.471 5.164 -0.193 758 1HB TYR 97 2HB TYR 97 7.554 4.451 1.281 759 2HB TYR 97 1HB TYR 97 7.741 2.830 0.618 760 HD1 TYR 97 1HD TYR 97 9.163 1.328 1.666 761 HD2 TYR 97 2HD TYR 97 9.688 5.491 2.366 762 HE1 TYR 97 1HE TYR 97 10.867 0.821 3.365 763 HE2 TYR 97 2HE TYR 97 11.394 4.996 4.065 764 HH TYR 97 HH TYR 97 12.926 2.140 4.357 765 H GLU 98 H GLU 98 9.127 4.107 -2.923 766 HA GLU 98 HA GLU 98 10.463 2.886 -4.321 767 1HB GLU 98 2HB GLU 98 12.473 2.249 -3.566 768 2HB GLU 98 1HB GLU 98 11.957 2.862 -2.003 769 1HG GLU 98 2HG GLU 98 11.112 0.574 -1.471 770 2HG GLU 98 1HG GLU 98 11.845 0.017 -2.974 771 H PHE 99 H PHE 99 10.151 0.987 -5.425 772 HA PHE 99 HA PHE 99 7.851 -0.511 -4.793 773 1HB PHE 99 2HB PHE 99 9.909 -0.523 -6.902 774 2HB PHE 99 1HB PHE 99 9.151 -2.081 -6.611 775 HD1 PHE 99 1HD PHE 99 8.097 -2.180 -8.758 776 HD2 PHE 99 2HD PHE 99 7.354 1.085 -6.130 777 HE1 PHE 99 1HE PHE 99 6.180 -1.504 -10.145 778 HE2 PHE 99 2HE PHE 99 5.434 1.764 -7.512 779 HZ PHE 99 HZ PHE 99 4.844 0.468 -9.520 780 H LEU 100 H LEU 100 7.619 -2.684 -4.172 781 HA LEU 100 HA LEU 100 9.611 -3.580 -2.296 782 1HB LEU 100 2HB LEU 100 7.060 -3.671 -2.030 783 2HB LEU 100 1HB LEU 100 7.119 -5.060 -3.097 784 HG LEU 100 HG LEU 100 7.021 -5.775 -0.784 785 1HD1 LEU 100 1HD1 LEU 100 8.383 -7.015 -2.501 786 2HD1 LEU 100 2HD1 LEU 100 8.796 -7.332 -0.816 787 3HD1 LEU 100 3HD1 LEU 100 9.810 -6.265 -1.787 788 1HD2 LEU 100 1HD2 LEU 100 9.696 -4.893 -0.028 789 2HD2 LEU 100 2HD2 LEU 100 8.188 -4.852 0.884 790 3HD2 LEU 100 3HD2 LEU 100 8.563 -3.562 -0.256 791 H GLU 101 H GLU 101 11.389 -4.411 -3.246 792 HA GLU 101 HA GLU 101 11.578 -5.745 -5.660 793 1HB GLU 101 2HB GLU 101 13.278 -6.141 -3.192 794 2HB GLU 101 1HB GLU 101 13.717 -6.646 -4.817 795 1HG GLU 101 2HG GLU 101 13.024 -3.794 -4.374 796 2HG GLU 101 1HG GLU 101 14.577 -4.384 -3.782 797 H LYS 102 H LYS 102 11.884 -7.975 -6.183 798 HA LYS 102 HA LYS 102 11.282 -10.166 -6.211 799 1HB LYS 102 2HB LYS 102 12.524 -9.816 -3.835 800 2HB LYS 102 1HB LYS 102 10.948 -10.362 -3.276 801 1HG LYS 102 2HG LYS 102 12.158 -12.325 -3.453 802 2HG LYS 102 1HG LYS 102 11.252 -12.279 -4.967 803 1HD LYS 102 2HD LYS 102 13.267 -12.679 -5.894 804 2HD LYS 102 1HD LYS 102 13.493 -10.941 -5.683 805 1HE LYS 102 2HE LYS 102 15.408 -11.724 -4.703 806 2HE LYS 102 1HE LYS 102 14.336 -11.668 -3.304 807 1HZ LYS 102 1HZ LYS 102 13.851 -14.123 -4.201 808 2HZ LYS 102 2HZ LYS 102 15.045 -13.773 -3.056 809 3HZ LYS 102 3HZ LYS 102 15.463 -13.959 -4.685 810 HA PRO 103 HA PRO 103 6.843 -8.965 -5.479 811 1HB PRO 103 2HB PRO 103 6.013 -9.297 -8.030 812 2HB PRO 103 1HB PRO 103 6.746 -7.793 -7.460 813 1HG PRO 103 2HG PRO 103 7.991 -10.046 -8.991 814 2HG PRO 103 1HG PRO 103 8.168 -8.298 -9.233 815 1HD PRO 103 2HD PRO 103 10.018 -9.804 -7.932 816 2HD PRO 103 1HD PRO 103 9.722 -8.096 -7.549 817 H PHE 104 H PHE 104 7.596 -11.263 -4.489 818 HA PHE 104 HA PHE 104 5.678 -13.164 -5.577 819 1HB PHE 104 2HB PHE 104 8.509 -14.036 -4.983 820 2HB PHE 104 1HB PHE 104 7.213 -15.002 -5.684 821 HD1 PHE 104 1HD PHE 104 10.076 -13.104 -6.380 822 HD2 PHE 104 2HD PHE 104 6.234 -14.069 -7.935 823 HE1 PHE 104 1HE PHE 104 10.834 -12.474 -8.634 824 HE2 PHE 104 2HE PHE 104 6.985 -13.442 -10.192 825 HZ PHE 104 HZ PHE 104 9.288 -12.643 -10.544 826 H SER 105 H SER 105 8.117 -12.553 -3.067 827 HA SER 105 HA SER 105 6.523 -14.083 -1.152 828 1HB SER 105 2HB SER 105 8.578 -13.515 0.347 829 2HB SER 105 1HB SER 105 8.759 -14.715 -0.932 830 HG SER 105 HG SER 105 10.371 -12.884 -0.698 831 H VAL 106 H VAL 106 5.464 -13.189 0.533 832 HA VAL 106 HA VAL 106 5.352 -10.259 0.615 833 HB VAL 106 HB VAL 106 3.217 -11.399 0.298 834 1HG1 VAL 106 1HG1 VAL 106 4.097 -12.898 2.712 835 2HG1 VAL 106 2HG1 VAL 106 3.292 -13.475 1.252 836 3HG1 VAL 106 3HG1 VAL 106 2.373 -12.604 2.480 837 1HG2 VAL 106 1HG2 VAL 106 2.697 -10.519 3.010 838 2HG2 VAL 106 2HG2 VAL 106 2.187 -9.813 1.475 839 3HG2 VAL 106 3HG2 VAL 106 3.767 -9.411 2.151 840 H GLU 107 H GLU 107 6.608 -12.916 2.357 841 HA GLU 107 HA GLU 107 6.430 -11.935 4.993 842 1HB GLU 107 2HB GLU 107 7.202 -14.262 4.037 843 2HB GLU 107 1HB GLU 107 8.794 -13.516 4.088 844 1HG GLU 107 2HG GLU 107 7.825 -12.919 6.558 845 2HG GLU 107 1HG GLU 107 7.101 -14.497 6.255 846 H ARG 108 H ARG 108 8.706 -11.421 2.367 847 HA ARG 108 HA ARG 108 10.644 -9.982 3.844 848 1HB ARG 108 2HB ARG 108 10.241 -10.779 1.133 849 2HB ARG 108 1HB ARG 108 10.574 -9.054 1.146 850 1HG ARG 108 2HG ARG 108 12.731 -9.456 1.401 851 2HG ARG 108 1HG ARG 108 12.408 -10.318 2.906 852 1HD ARG 108 2HD ARG 108 12.487 -12.365 1.912 853 2HD ARG 108 1HD ARG 108 11.879 -11.760 0.371 854 HE ARG 108 HE ARG 108 14.352 -10.652 0.577 855 1HH1 ARG 108 1HH1 ARG 108 13.134 -13.918 0.754 856 2HH1 ARG 108 2HH1 ARG 108 14.586 -14.626 0.129 857 1HH2 ARG 108 1HH2 ARG 108 16.262 -11.581 -0.245 858 2HH2 ARG 108 2HH2 ARG 108 16.362 -13.300 -0.438 859 H PHE 109 H PHE 109 7.701 -9.101 2.157 860 HA PHE 109 HA PHE 109 7.979 -6.313 2.180 861 1HB PHE 109 2HB PHE 109 6.220 -7.079 0.850 862 2HB PHE 109 1HB PHE 109 5.645 -8.199 2.076 863 HD1 PHE 109 1HD PHE 109 6.080 -4.519 1.608 864 HD2 PHE 109 2HD PHE 109 3.680 -7.687 3.128 865 HE1 PHE 109 1HE PHE 109 4.368 -2.889 2.289 866 HE2 PHE 109 2HE PHE 109 1.962 -6.064 3.811 867 HZ PHE 109 HZ PHE 109 2.306 -3.661 3.394 868 H LEU 110 H LEU 110 6.863 -8.601 4.594 869 HA LEU 110 HA LEU 110 5.765 -6.868 6.472 870 1HB LEU 110 2HB LEU 110 6.287 -9.549 6.320 871 2HB LEU 110 1HB LEU 110 7.315 -9.026 7.641 872 HG LEU 110 HG LEU 110 4.331 -8.627 7.453 873 1HD1 LEU 110 1HD1 LEU 110 4.351 -10.138 9.435 874 2HD1 LEU 110 2HD1 LEU 110 6.054 -10.454 9.103 875 3HD1 LEU 110 3HD1 LEU 110 4.826 -10.904 7.919 876 1HD2 LEU 110 1HD2 LEU 110 5.708 -6.814 8.609 877 2HD2 LEU 110 2HD2 LEU 110 6.075 -8.039 9.825 878 3HD2 LEU 110 3HD2 LEU 110 4.403 -7.556 9.535 879 H LEU 111 H LEU 111 9.123 -7.873 6.009 880 HA LEU 111 HA LEU 111 10.269 -6.713 8.250 881 1HB LEU 111 2HB LEU 111 11.313 -7.263 5.501 882 2HB LEU 111 1HB LEU 111 12.320 -6.482 6.706 883 HG LEU 111 HG LEU 111 11.335 -8.695 8.045 884 1HD1 LEU 111 1HD1 LEU 111 11.999 -9.451 5.204 885 2HD1 LEU 111 2HD1 LEU 111 10.443 -9.651 6.012 886 3HD1 LEU 111 3HD1 LEU 111 11.842 -10.583 6.547 887 1HD2 LEU 111 1HD2 LEU 111 13.685 -7.597 7.805 888 2HD2 LEU 111 2HD2 LEU 111 13.921 -8.822 6.557 889 3HD2 LEU 111 3HD2 LEU 111 13.551 -9.308 8.211 890 H THR 112 H THR 112 9.726 -5.261 5.048 891 HA THR 112 HA THR 112 10.880 -2.761 5.682 892 HB THR 112 HB THR 112 8.794 -3.448 3.602 893 HG1 THR 112 1HG THR 112 10.501 -4.557 2.967 894 1HG2 THR 112 1HG2 THR 112 10.427 -1.415 2.646 895 2HG2 THR 112 2HG2 THR 112 9.999 -0.927 4.286 896 3HG2 THR 112 3HG2 THR 112 8.731 -1.291 3.115 897 H ILE 113 H ILE 113 7.568 -3.984 5.818 898 HA ILE 113 HA ILE 113 6.105 -1.743 6.305 899 HB ILE 113 HB ILE 113 5.876 -4.555 7.237 900 1HG1 ILE 113 2HG1 ILE 113 5.033 -3.874 5.046 901 2HG1 ILE 113 1HG1 ILE 113 3.709 -4.383 6.087 902 1HG2 ILE 113 1HG2 ILE 113 4.417 -2.267 8.505 903 2HG2 ILE 113 2HG2 ILE 113 5.184 -3.659 9.267 904 3HG2 ILE 113 3HG2 ILE 113 3.674 -3.862 8.379 905 1HD1 ILE 113 1HD1 ILE 113 4.446 -1.617 5.217 906 2HD1 ILE 113 2HD1 ILE 113 3.399 -1.907 6.607 907 3HD1 ILE 113 3HD1 ILE 113 2.923 -2.477 5.007 908 H LYS 114 H LYS 114 7.744 -3.646 8.843 909 HA LYS 114 HA LYS 114 7.103 -2.132 11.039 910 1HB LYS 114 2HB LYS 114 8.356 -4.224 11.196 911 2HB LYS 114 1HB LYS 114 9.749 -3.468 10.436 912 1HG LYS 114 2HG LYS 114 8.720 -2.173 12.882 913 2HG LYS 114 1HG LYS 114 9.490 -3.749 13.078 914 1HD LYS 114 2HD LYS 114 11.522 -2.880 12.778 915 2HD LYS 114 1HD LYS 114 11.017 -2.045 11.308 916 1HE LYS 114 2HE LYS 114 10.512 -0.108 12.417 917 2HE LYS 114 1HE LYS 114 10.135 -0.941 13.924 918 1HZ LYS 114 1HZ LYS 114 12.207 0.383 13.997 919 2HZ LYS 114 2HZ LYS 114 12.879 -0.647 12.834 920 3HZ LYS 114 3HZ LYS 114 12.447 -1.253 14.353 921 H HIS 115 H HIS 115 10.040 -1.755 9.061 922 HA HIS 115 HA HIS 115 10.899 0.630 10.250 923 1HB HIS 115 2HB HIS 115 12.335 -0.806 8.852 924 2HB HIS 115 1HB HIS 115 11.404 -0.343 7.432 925 HD1 HIS 115 1HD HIS 115 13.894 0.447 6.645 926 HD2 HIS 115 2HD HIS 115 12.046 2.698 9.608 927 HE1 HIS 115 1HE HIS 115 15.124 2.639 6.690 928 HE2 HIS 115 2HE HIS 115 13.936 4.016 8.433 929 H ALA 116 H ALA 116 8.563 0.014 7.719 930 HA ALA 116 HA ALA 116 8.431 2.576 6.590 931 1HB ALA 116 1HB ALA 116 5.845 1.606 6.450 932 2HB ALA 116 2HB ALA 116 6.838 0.151 6.537 933 3HB ALA 116 3HB ALA 116 7.128 1.341 5.269 934 H PHE 117 H PHE 117 6.842 1.187 9.415 935 HA PHE 117 HA PHE 117 5.145 3.405 9.926 936 1HB PHE 117 2HB PHE 117 6.015 0.994 11.463 937 2HB PHE 117 1HB PHE 117 5.203 2.303 12.318 938 HD1 PHE 117 1HD PHE 117 2.879 2.746 11.984 939 HD2 PHE 117 2HD PHE 117 4.847 -0.281 9.736 940 HE1 PHE 117 1HE PHE 117 0.699 1.876 11.258 941 HE2 PHE 117 2HE PHE 117 2.671 -1.156 9.002 942 HZ PHE 117 HZ PHE 117 0.594 -0.079 9.764 943 H GLU 118 H GLU 118 8.489 2.944 10.352 944 HA GLU 118 HA GLU 118 9.101 4.303 12.670 945 1HB GLU 118 2HB GLU 118 10.629 3.131 10.953 946 2HB GLU 118 1HB GLU 118 10.704 4.705 10.173 947 1HG GLU 118 2HG GLU 118 11.201 4.847 13.028 948 2HG GLU 118 1HG GLU 118 12.341 3.799 12.186 949 H GLU 119 H GLU 119 7.866 5.563 9.687 950 HA GLU 119 HA GLU 119 8.484 8.313 10.454 951 1HB GLU 119 2HB GLU 119 6.995 7.420 7.990 952 2HB GLU 119 1HB GLU 119 7.828 8.945 8.257 953 1HG GLU 119 2HG GLU 119 9.542 8.058 7.170 954 2HG GLU 119 1HG GLU 119 9.812 7.061 8.600 955 H TYR 120 H TYR 120 6.716 6.995 12.171 956 HA TYR 120 HA TYR 120 4.524 8.815 12.154 957 1HB TYR 120 2HB TYR 120 3.875 6.956 10.491 958 2HB TYR 120 1HB TYR 120 3.713 5.927 11.909 959 HD1 TYR 120 1HD TYR 120 1.827 6.106 13.352 960 HD2 TYR 120 2HD TYR 120 2.395 8.941 10.231 961 HE1 TYR 120 1HE TYR 120 -0.458 6.945 13.706 962 HE2 TYR 120 2HE TYR 120 0.113 9.788 10.577 963 HH TYR 120 HH TYR 120 -2.177 8.154 12.543 964 H SER 121 H SER 121 6.673 7.971 13.904 965 HA SER 121 HA SER 121 5.283 6.613 16.089 966 1HB SER 121 2HB SER 121 7.608 5.926 15.429 967 2HB SER 121 1HB SER 121 8.172 7.503 15.981 968 HG SER 121 HG SER 121 6.746 5.669 17.608 Start of MODEL 6 1 1H MET 1 1HT MET 1 -1.222 0.830 17.133 2 2H MET 1 2HT MET 1 -2.106 1.638 18.362 3 3H MET 1 3HT MET 1 -0.719 2.376 17.674 4 HA MET 1 HA MET 1 -3.327 1.863 16.425 5 1HB MET 1 2HB MET 1 -1.714 4.271 17.232 6 2HB MET 1 1HB MET 1 -2.972 4.396 16.010 7 1HG MET 1 2HG MET 1 -4.631 4.246 17.511 8 2HG MET 1 1HG MET 1 -3.781 3.053 18.490 9 1HE MET 1 1HE MET 1 -4.869 4.854 20.870 10 2HE MET 1 2HE MET 1 -3.222 4.840 21.503 11 3HE MET 1 3HE MET 1 -3.828 3.458 20.591 12 H LYS 2 H LYS 2 -1.540 0.349 15.226 13 HA LYS 2 HA LYS 2 -0.463 1.911 12.982 14 1HB LYS 2 2HB LYS 2 0.495 -0.433 14.446 15 2HB LYS 2 1HB LYS 2 0.619 -0.575 12.699 16 1HG LYS 2 2HG LYS 2 2.666 0.308 13.707 17 2HG LYS 2 1HG LYS 2 1.925 1.455 12.589 18 1HD LYS 2 2HD LYS 2 0.759 2.142 14.964 19 2HD LYS 2 1HD LYS 2 2.375 1.657 15.478 20 1HE LYS 2 2HE LYS 2 3.340 3.450 14.533 21 2HE LYS 2 1HE LYS 2 2.337 3.347 13.088 22 1HZ LYS 2 1HZ LYS 2 2.029 5.376 14.518 23 2HZ LYS 2 2HZ LYS 2 1.303 4.369 15.667 24 3HZ LYS 2 3HZ LYS 2 0.615 4.532 14.130 25 H ARG 3 H ARG 3 -1.153 1.557 10.948 26 HA ARG 3 HA ARG 3 -2.742 -0.816 10.348 27 1HB ARG 3 2HB ARG 3 -3.794 1.899 9.589 28 2HB ARG 3 1HB ARG 3 -4.632 0.354 9.553 29 1HG ARG 3 2HG ARG 3 -5.564 1.242 11.422 30 2HG ARG 3 1HG ARG 3 -4.169 0.446 12.153 31 1HD ARG 3 2HD ARG 3 -3.043 2.430 12.488 32 2HD ARG 3 1HD ARG 3 -3.914 3.262 11.199 33 HE ARG 3 HE ARG 3 -5.771 2.637 13.163 34 1HH1 ARG 3 1HH1 ARG 3 -2.904 4.600 12.848 35 2HH1 ARG 3 2HH1 ARG 3 -3.417 5.761 14.026 36 1HH2 ARG 3 1HH2 ARG 3 -6.448 4.161 14.714 37 2HH2 ARG 3 2HH2 ARG 3 -5.428 5.511 15.086 38 H VAL 4 H VAL 4 -2.881 -1.294 8.111 39 HA VAL 4 HA VAL 4 -1.217 0.369 6.351 40 HB VAL 4 HB VAL 4 -1.070 -2.649 6.403 41 1HG1 VAL 4 1HG1 VAL 4 0.004 -0.534 4.648 42 2HG1 VAL 4 2HG1 VAL 4 -0.410 -2.210 4.286 43 3HG1 VAL 4 3HG1 VAL 4 1.120 -1.832 5.078 44 1HG2 VAL 4 1HG2 VAL 4 0.889 -0.612 7.476 45 2HG2 VAL 4 2HG2 VAL 4 1.206 -2.340 7.318 46 3HG2 VAL 4 3HG2 VAL 4 -0.044 -1.770 8.424 47 H LEU 5 H LEU 5 -1.859 0.445 4.208 48 HA LEU 5 HA LEU 5 -4.495 -0.728 3.656 49 1HB LEU 5 2HB LEU 5 -4.330 1.739 3.606 50 2HB LEU 5 1HB LEU 5 -3.132 1.618 2.333 51 HG LEU 5 HG LEU 5 -4.815 0.589 0.854 52 1HD1 LEU 5 1HD1 LEU 5 -6.738 -0.216 1.609 53 2HD1 LEU 5 2HD1 LEU 5 -7.163 1.337 2.328 54 3HD1 LEU 5 3HD1 LEU 5 -6.210 0.171 3.246 55 1HD2 LEU 5 1HD2 LEU 5 -6.409 2.729 0.984 56 2HD2 LEU 5 2HD2 LEU 5 -4.765 2.798 0.349 57 3HD2 LEU 5 3HD2 LEU 5 -5.091 3.299 2.009 58 H VAL 6 H VAL 6 -4.734 -2.198 2.091 59 HA VAL 6 HA VAL 6 -2.451 -2.636 0.269 60 HB VAL 6 HB VAL 6 -4.428 -4.739 1.134 61 1HG1 VAL 6 1HG1 VAL 6 -3.420 -5.336 -0.917 62 2HG1 VAL 6 2HG1 VAL 6 -2.562 -6.241 0.330 63 3HG1 VAL 6 3HG1 VAL 6 -1.828 -4.801 -0.376 64 1HG2 VAL 6 1HG2 VAL 6 -3.287 -5.153 3.000 65 2HG2 VAL 6 2HG2 VAL 6 -2.538 -3.572 2.774 66 3HG2 VAL 6 3HG2 VAL 6 -1.734 -5.021 2.174 67 H VAL 7 H VAL 7 -3.213 -1.412 -1.463 68 HA VAL 7 HA VAL 7 -5.869 -1.879 -2.510 69 HB VAL 7 HB VAL 7 -3.595 -0.326 -3.765 70 1HG1 VAL 7 1HG1 VAL 7 -5.884 -1.160 -4.960 71 2HG1 VAL 7 2HG1 VAL 7 -4.996 0.297 -5.409 72 3HG1 VAL 7 3HG1 VAL 7 -6.383 0.410 -4.326 73 1HG2 VAL 7 1HG2 VAL 7 -5.520 0.360 -1.629 74 2HG2 VAL 7 2HG2 VAL 7 -5.252 1.580 -2.873 75 3HG2 VAL 7 3HG2 VAL 7 -3.893 0.967 -1.931 76 H ASP 8 H ASP 8 -6.356 -3.558 -3.775 77 HA ASP 8 HA ASP 8 -4.524 -4.397 -5.850 78 1HB ASP 8 2HB ASP 8 -3.681 -5.693 -3.970 79 2HB ASP 8 1HB ASP 8 -5.301 -6.275 -3.605 80 H ASP 9 H ASP 9 -5.498 -5.676 -7.455 81 HA ASP 9 HA ASP 9 -8.396 -5.430 -7.518 82 1HB ASP 9 2HB ASP 9 -7.146 -4.658 -9.465 83 2HB ASP 9 1HB ASP 9 -6.422 -6.249 -9.665 84 H GLU 10 H GLU 10 -7.835 -7.228 -5.663 85 HA GLU 10 HA GLU 10 -8.025 -9.883 -6.891 86 1HB GLU 10 2HB GLU 10 -6.568 -9.003 -4.733 87 2HB GLU 10 1HB GLU 10 -7.966 -9.737 -3.959 88 1HG GLU 10 2HG GLU 10 -7.254 -11.586 -5.872 89 2HG GLU 10 1HG GLU 10 -5.706 -10.975 -5.291 90 H GLU 11 H GLU 11 -9.354 -11.228 -4.852 91 HA GLU 11 HA GLU 11 -12.078 -10.247 -5.274 92 1HB GLU 11 2HB GLU 11 -10.931 -12.789 -5.415 93 2HB GLU 11 1HB GLU 11 -11.882 -12.816 -3.936 94 1HG GLU 11 2HG GLU 11 -13.204 -11.670 -6.309 95 2HG GLU 11 1HG GLU 11 -12.869 -13.400 -6.357 96 H SER 12 H SER 12 -10.447 -11.959 -2.600 97 HA SER 12 HA SER 12 -11.687 -10.048 -0.736 98 1HB SER 12 2HB SER 12 -11.396 -13.006 -0.181 99 2HB SER 12 1HB SER 12 -12.251 -11.810 0.794 100 HG SER 12 HG SER 12 -13.929 -12.306 -0.352 101 H ILE 13 H ILE 13 -9.981 -8.908 -0.032 102 HA ILE 13 HA ILE 13 -7.995 -8.354 0.907 103 HB ILE 13 HB ILE 13 -8.199 -11.113 2.038 104 1HG1 ILE 13 2HG1 ILE 13 -10.216 -9.662 2.395 105 2HG1 ILE 13 1HG1 ILE 13 -9.436 -10.220 3.871 106 1HG2 ILE 13 1HG2 ILE 13 -6.028 -10.388 2.514 107 2HG2 ILE 13 2HG2 ILE 13 -6.942 -10.022 3.977 108 3HG2 ILE 13 3HG2 ILE 13 -6.562 -8.738 2.830 109 1HD1 ILE 13 1HD1 ILE 13 -8.255 -8.006 3.953 110 2HD1 ILE 13 2HD1 ILE 13 -10.000 -7.952 4.196 111 3HD1 ILE 13 3HD1 ILE 13 -9.313 -7.485 2.642 112 H THR 14 H THR 14 -5.658 -9.030 1.099 113 HA THR 14 HA THR 14 -4.860 -10.313 -1.384 114 HB THR 14 HB THR 14 -2.596 -9.438 -0.809 115 HG1 THR 14 1HG THR 14 -3.905 -8.152 1.347 116 1HG2 THR 14 1HG2 THR 14 -2.990 -7.303 -1.492 117 2HG2 THR 14 2HG2 THR 14 -4.399 -7.108 -0.450 118 3HG2 THR 14 3HG2 THR 14 -4.524 -8.050 -1.936 119 H SER 15 H SER 15 -4.043 -12.299 -1.507 120 HA SER 15 HA SER 15 -4.154 -14.094 0.621 121 1HB SER 15 2HB SER 15 -4.284 -14.995 -1.559 122 2HB SER 15 1HB SER 15 -2.781 -14.219 -2.058 123 HG SER 15 HG SER 15 -3.167 -16.614 -0.845 124 H SER 16 H SER 16 -2.730 -14.892 2.056 125 HA SER 16 HA SER 16 -0.814 -15.220 3.244 126 1HB SER 16 2HB SER 16 0.731 -13.654 1.185 127 2HB SER 16 1HB SER 16 1.317 -14.915 2.269 128 HG SER 16 HG SER 16 1.022 -15.725 0.169 129 H LEU 17 H LEU 17 -2.244 -12.304 2.689 130 HA LEU 17 HA LEU 17 -0.342 -10.712 4.216 131 1HB LEU 17 2HB LEU 17 -2.297 -10.158 2.276 132 2HB LEU 17 1HB LEU 17 -2.921 -9.463 3.753 133 HG LEU 17 HG LEU 17 -0.798 -8.515 1.998 134 1HD1 LEU 17 1HD1 LEU 17 -2.391 -6.956 2.261 135 2HD1 LEU 17 2HD1 LEU 17 -1.370 -6.478 3.618 136 3HD1 LEU 17 3HD1 LEU 17 -2.798 -7.477 3.894 137 1HD2 LEU 17 1HD2 LEU 17 0.424 -7.472 4.029 138 2HD2 LEU 17 2HD2 LEU 17 0.845 -9.109 3.525 139 3HD2 LEU 17 3HD2 LEU 17 -0.211 -8.858 4.915 140 H SER 18 H SER 18 -3.755 -11.700 4.494 141 HA SER 18 HA SER 18 -4.421 -10.674 6.927 142 1HB SER 18 2HB SER 18 -5.286 -12.979 5.339 143 2HB SER 18 1HB SER 18 -5.565 -13.182 7.068 144 HG SER 18 HG SER 18 -6.315 -10.830 5.692 145 H ALA 19 H ALA 19 -3.033 -13.930 6.480 146 HA ALA 19 HA ALA 19 -2.683 -14.629 9.120 147 1HB ALA 19 1HB ALA 19 -1.322 -15.359 6.586 148 2HB ALA 19 2HB ALA 19 -2.200 -16.371 7.733 149 3HB ALA 19 3HB ALA 19 -0.558 -15.843 8.101 150 H ILE 20 H ILE 20 -0.613 -12.649 7.075 151 HA ILE 20 HA ILE 20 1.532 -12.410 8.912 152 HB ILE 20 HB ILE 20 0.711 -10.734 6.536 153 1HG1 ILE 20 2HG1 ILE 20 2.984 -12.680 6.974 154 2HG1 ILE 20 1HG1 ILE 20 1.514 -13.006 6.061 155 1HG2 ILE 20 1HG2 ILE 20 3.368 -10.167 7.018 156 2HG2 ILE 20 2HG2 ILE 20 2.643 -10.130 8.625 157 3HG2 ILE 20 3HG2 ILE 20 2.002 -9.102 7.344 158 1HD1 ILE 20 1HD1 ILE 20 3.847 -12.153 4.990 159 2HD1 ILE 20 2HD1 ILE 20 2.983 -10.629 5.193 160 3HD1 ILE 20 3HD1 ILE 20 2.263 -11.931 4.250 161 H LEU 21 H LEU 21 -0.631 -9.776 7.858 162 HA LEU 21 HA LEU 21 -0.076 -8.007 9.885 163 1HB LEU 21 2HB LEU 21 -2.786 -8.403 8.631 164 2HB LEU 21 1HB LEU 21 -2.167 -6.932 9.364 165 HG LEU 21 HG LEU 21 -0.446 -7.910 7.230 166 1HD1 LEU 21 1HD1 LEU 21 -1.988 -8.493 5.747 167 2HD1 LEU 21 2HD1 LEU 21 -2.455 -6.792 5.703 168 3HD1 LEU 21 3HD1 LEU 21 -3.303 -7.913 6.769 169 1HD2 LEU 21 1HD2 LEU 21 -1.650 -5.374 8.176 170 2HD2 LEU 21 2HD2 LEU 21 -1.127 -5.456 6.495 171 3HD2 LEU 21 3HD2 LEU 21 0.026 -5.764 7.794 172 H GLU 22 H GLU 22 -2.116 -10.834 9.978 173 HA GLU 22 HA GLU 22 -3.417 -10.178 12.438 174 1HB GLU 22 2HB GLU 22 -3.201 -12.659 10.779 175 2HB GLU 22 1HB GLU 22 -3.887 -12.728 12.395 176 1HG GLU 22 2HG GLU 22 -5.267 -10.653 11.367 177 2HG GLU 22 1HG GLU 22 -4.994 -11.612 9.915 178 H GLU 23 H GLU 23 -0.416 -11.684 11.540 179 HA GLU 23 HA GLU 23 0.038 -12.843 14.145 180 1HB GLU 23 2HB GLU 23 1.016 -14.055 12.377 181 2HB GLU 23 1HB GLU 23 1.655 -12.605 11.619 182 1HG GLU 23 2HG GLU 23 3.544 -12.700 12.779 183 2HG GLU 23 1HG GLU 23 2.703 -13.026 14.293 184 H GLU 24 H GLU 24 0.946 -9.969 12.356 185 HA GLU 24 HA GLU 24 2.824 -9.072 14.346 186 1HB GLU 24 2HB GLU 24 1.723 -7.909 11.817 187 2HB GLU 24 1HB GLU 24 2.639 -6.908 12.936 188 1HG GLU 24 2HG GLU 24 3.781 -9.503 12.019 189 2HG GLU 24 1HG GLU 24 3.824 -8.102 10.949 190 H GLY 25 H GLY 25 -0.523 -8.462 13.498 191 1HA GLY 25 2HA GLY 25 -2.158 -7.728 15.028 192 2HA GLY 25 1HA GLY 25 -0.877 -7.098 16.052 193 H TYR 26 H TYR 26 -1.815 -6.582 12.659 194 HA TYR 26 HA TYR 26 -1.723 -3.681 13.170 195 1HB TYR 26 2HB TYR 26 -1.112 -5.327 10.732 196 2HB TYR 26 1HB TYR 26 -1.517 -3.627 10.585 197 HD1 TYR 26 1HD TYR 26 1.118 -5.367 10.058 198 HD2 TYR 26 2HD TYR 26 -0.117 -2.575 13.020 199 HE1 TYR 26 1HE TYR 26 3.466 -4.773 10.466 200 HE2 TYR 26 2HE TYR 26 2.228 -1.971 13.435 201 HH TYR 26 HH TYR 26 4.842 -3.797 12.220 202 H HIS 27 H HIS 27 -2.997 -2.616 11.168 203 HA HIS 27 HA HIS 27 -5.694 -3.795 11.142 204 1HB HIS 27 2HB HIS 27 -4.965 -1.371 12.293 205 2HB HIS 27 1HB HIS 27 -5.607 -0.902 10.723 206 HD1 HIS 27 1HD HIS 27 -8.076 -2.131 10.229 207 HD2 HIS 27 2HD HIS 27 -6.888 -1.579 14.173 208 HE1 HIS 27 1HE HIS 27 -10.183 -2.275 11.592 209 HE2 HIS 27 2HE HIS 27 -9.453 -1.842 13.964 210 HA PRO 28 HA PRO 28 -4.191 -3.370 6.836 211 1HB PRO 28 2HB PRO 28 -4.825 -5.836 5.998 212 2HB PRO 28 1HB PRO 28 -3.366 -5.508 6.937 213 1HG PRO 28 2HG PRO 28 -5.963 -6.676 7.820 214 2HG PRO 28 1HG PRO 28 -4.315 -7.106 8.309 215 1HD PRO 28 2HD PRO 28 -6.041 -5.499 9.765 216 2HD PRO 28 1HD PRO 28 -4.278 -5.521 9.948 217 H ASP 29 H ASP 29 -5.382 -2.415 5.373 218 HA ASP 29 HA ASP 29 -8.193 -3.212 5.047 219 1HB ASP 29 2HB ASP 29 -7.123 -0.652 5.698 220 2HB ASP 29 1HB ASP 29 -7.818 -0.574 4.083 221 H THR 30 H THR 30 -8.392 -4.250 3.163 222 HA THR 30 HA THR 30 -6.464 -3.677 1.053 223 HB THR 30 HB THR 30 -7.121 -5.744 0.053 224 HG1 THR 30 1HG THR 30 -9.201 -6.071 0.173 225 1HG2 THR 30 1HG2 THR 30 -6.361 -7.230 1.579 226 2HG2 THR 30 2HG2 THR 30 -7.375 -6.594 2.873 227 3HG2 THR 30 3HG2 THR 30 -5.906 -5.738 2.403 228 H ALA 31 H ALA 31 -6.932 -2.589 -0.734 229 HA ALA 31 HA ALA 31 -9.704 -1.739 -1.163 230 1HB ALA 31 1HB ALA 31 -7.472 -0.237 -1.098 231 2HB ALA 31 2HB ALA 31 -8.911 0.197 -2.020 232 3HB ALA 31 3HB ALA 31 -7.553 -0.588 -2.824 233 H LYS 32 H LYS 32 -10.437 -1.586 -3.455 234 HA LYS 32 HA LYS 32 -9.462 -3.913 -4.966 235 1HB LYS 32 2HB LYS 32 -12.117 -2.842 -5.662 236 2HB LYS 32 1HB LYS 32 -11.584 -4.508 -5.486 237 1HG LYS 32 2HG LYS 32 -11.918 -4.486 -3.167 238 2HG LYS 32 1HG LYS 32 -12.013 -2.726 -3.118 239 1HD LYS 32 2HD LYS 32 -14.086 -2.962 -4.585 240 2HD LYS 32 1HD LYS 32 -14.039 -4.678 -4.178 241 1HE LYS 32 2HE LYS 32 -14.505 -4.295 -1.942 242 2HE LYS 32 1HE LYS 32 -13.941 -2.625 -2.007 243 1HZ LYS 32 1HZ LYS 32 -16.500 -3.740 -2.970 244 2HZ LYS 32 2HZ LYS 32 -15.918 -2.263 -3.554 245 3HZ LYS 32 3HZ LYS 32 -16.241 -2.452 -1.905 246 H THR 33 H THR 33 -9.551 -0.578 -4.970 247 HA THR 33 HA THR 33 -8.394 -0.364 -7.534 248 HB THR 33 HB THR 33 -10.681 1.338 -7.819 249 HG1 THR 33 1HG THR 33 -11.710 -0.272 -6.506 250 1HG2 THR 33 1HG2 THR 33 -9.464 0.655 -9.735 251 2HG2 THR 33 2HG2 THR 33 -11.078 -0.046 -9.855 252 3HG2 THR 33 3HG2 THR 33 -9.715 -1.051 -9.363 253 H LEU 34 H LEU 34 -7.621 1.785 -7.946 254 HA LEU 34 HA LEU 34 -6.774 3.179 -5.714 255 1HB LEU 34 2HB LEU 34 -7.198 4.242 -8.509 256 2HB LEU 34 1HB LEU 34 -6.256 5.041 -7.263 257 HG LEU 34 HG LEU 34 -5.550 2.258 -8.114 258 1HD1 LEU 34 1HD1 LEU 34 -4.411 4.691 -9.449 259 2HD1 LEU 34 2HD1 LEU 34 -5.787 3.813 -10.118 260 3HD1 LEU 34 3HD1 LEU 34 -4.238 2.996 -9.906 261 1HD2 LEU 34 1HD2 LEU 34 -4.581 3.611 -6.105 262 2HD2 LEU 34 2HD2 LEU 34 -3.655 4.438 -7.358 263 3HD2 LEU 34 3HD2 LEU 34 -3.501 2.692 -7.154 264 H ARG 35 H ARG 35 -9.800 3.356 -7.390 265 HA ARG 35 HA ARG 35 -10.630 5.866 -6.296 266 1HB ARG 35 2HB ARG 35 -11.882 3.687 -7.880 267 2HB ARG 35 1HB ARG 35 -12.966 4.694 -6.930 268 1HG ARG 35 2HG ARG 35 -12.519 6.580 -8.161 269 2HG ARG 35 1HG ARG 35 -10.938 5.995 -8.682 270 1HD ARG 35 2HD ARG 35 -13.031 4.251 -9.621 271 2HD ARG 35 1HD ARG 35 -13.342 5.914 -10.110 272 HE ARG 35 HE ARG 35 -11.412 5.885 -11.409 273 1HH1 ARG 35 1HH1 ARG 35 -11.777 2.878 -9.664 274 2HH1 ARG 35 2HH1 ARG 35 -10.603 2.041 -10.622 275 1HH2 ARG 35 1HH2 ARG 35 -9.871 4.780 -12.662 276 2HH2 ARG 35 2HH2 ARG 35 -9.521 3.117 -12.321 277 H GLU 36 H GLU 36 -11.148 2.458 -5.502 278 HA GLU 36 HA GLU 36 -12.875 2.897 -3.304 279 1HB GLU 36 2HB GLU 36 -11.492 0.637 -4.524 280 2HB GLU 36 1HB GLU 36 -11.525 0.517 -2.771 281 1HG GLU 36 2HG GLU 36 -13.445 -0.588 -3.408 282 2HG GLU 36 1HG GLU 36 -14.036 1.021 -2.996 283 H ALA 37 H ALA 37 -9.389 2.782 -3.680 284 HA ALA 37 HA ALA 37 -8.809 2.763 -0.881 285 1HB ALA 37 1HB ALA 37 -6.543 3.738 -1.994 286 2HB ALA 37 2HB ALA 37 -7.274 2.944 -3.389 287 3HB ALA 37 3HB ALA 37 -6.947 2.022 -1.922 288 H GLU 38 H GLU 38 -8.781 5.292 -3.393 289 HA GLU 38 HA GLU 38 -7.928 7.439 -1.929 290 1HB GLU 38 2HB GLU 38 -9.015 7.112 -4.410 291 2HB GLU 38 1HB GLU 38 -10.251 8.063 -3.599 292 1HG GLU 38 2HG GLU 38 -8.585 9.748 -3.029 293 2HG GLU 38 1HG GLU 38 -7.342 8.793 -3.834 294 H LYS 39 H LYS 39 -11.245 6.182 -2.118 295 HA LYS 39 HA LYS 39 -12.432 8.056 -0.410 296 1HB LYS 39 2HB LYS 39 -13.754 6.506 -1.762 297 2HB LYS 39 1HB LYS 39 -13.128 5.143 -0.844 298 1HG LYS 39 2HG LYS 39 -14.500 7.283 0.673 299 2HG LYS 39 1HG LYS 39 -15.492 6.239 -0.347 300 1HD LYS 39 2HD LYS 39 -13.501 4.862 1.332 301 2HD LYS 39 1HD LYS 39 -14.812 5.659 2.204 302 1HE LYS 39 2HE LYS 39 -16.405 4.477 0.647 303 2HE LYS 39 1HE LYS 39 -15.025 3.536 0.080 304 1HZ LYS 39 1HZ LYS 39 -16.006 3.649 2.882 305 2HZ LYS 39 2HZ LYS 39 -14.684 2.744 2.337 306 3HZ LYS 39 3HZ LYS 39 -16.244 2.366 1.803 307 H LYS 40 H LYS 40 -11.200 4.787 0.319 308 HA LYS 40 HA LYS 40 -11.516 4.922 3.091 309 1HB LYS 40 2HB LYS 40 -9.426 3.404 1.521 310 2HB LYS 40 1HB LYS 40 -9.865 3.100 3.196 311 1HG LYS 40 2HG LYS 40 -12.022 3.020 1.160 312 2HG LYS 40 1HG LYS 40 -10.871 1.682 1.216 313 1HD LYS 40 2HD LYS 40 -11.355 1.542 3.696 314 2HD LYS 40 1HD LYS 40 -12.691 2.658 3.408 315 1HE LYS 40 2HE LYS 40 -13.590 1.048 1.738 316 2HE LYS 40 1HE LYS 40 -12.319 -0.081 2.203 317 1HZ LYS 40 1HZ LYS 40 -14.742 0.669 3.619 318 2HZ LYS 40 2HZ LYS 40 -13.363 0.482 4.579 319 3HZ LYS 40 3HZ LYS 40 -13.902 -0.798 3.613 320 H ILE 41 H ILE 41 -9.113 6.325 1.008 321 HA ILE 41 HA ILE 41 -7.329 6.943 3.227 322 HB ILE 41 HB ILE 41 -7.109 7.742 0.329 323 1HG1 ILE 41 2HG1 ILE 41 -5.380 5.663 1.593 324 2HG1 ILE 41 1HG1 ILE 41 -7.013 5.211 1.114 325 1HG2 ILE 41 1HG2 ILE 41 -5.470 8.256 2.724 326 2HG2 ILE 41 2HG2 ILE 41 -5.643 9.196 1.242 327 3HG2 ILE 41 3HG2 ILE 41 -4.590 7.782 1.270 328 1HD1 ILE 41 1HD1 ILE 41 -6.523 5.951 -1.173 329 2HD1 ILE 41 2HD1 ILE 41 -5.438 4.671 -0.632 330 3HD1 ILE 41 3HD1 ILE 41 -4.876 6.342 -0.676 331 H LYS 42 H LYS 42 -10.027 8.328 1.712 332 HA LYS 42 HA LYS 42 -9.251 11.054 2.432 333 1HB LYS 42 2HB LYS 42 -11.480 9.913 0.779 334 2HB LYS 42 1HB LYS 42 -11.519 11.578 1.344 335 1HG LYS 42 2HG LYS 42 -9.489 12.080 0.153 336 2HG LYS 42 1HG LYS 42 -9.312 10.390 -0.322 337 1HD LYS 42 2HD LYS 42 -10.898 10.538 -1.937 338 2HD LYS 42 1HD LYS 42 -11.869 11.695 -1.026 339 1HE LYS 42 2HE LYS 42 -9.285 12.762 -1.861 340 2HE LYS 42 1HE LYS 42 -10.303 12.268 -3.214 341 1HZ LYS 42 1HZ LYS 42 -11.313 13.993 -1.031 342 2HZ LYS 42 2HZ LYS 42 -11.990 13.736 -2.559 343 3HZ LYS 42 3HZ LYS 42 -10.561 14.629 -2.405 344 H GLU 43 H GLU 43 -10.018 8.792 4.305 345 HA GLU 43 HA GLU 43 -11.909 10.366 5.882 346 1HB GLU 43 2HB GLU 43 -12.209 7.400 5.390 347 2HB GLU 43 1HB GLU 43 -13.196 8.362 6.481 348 1HG GLU 43 2HG GLU 43 -14.051 9.648 4.609 349 2HG GLU 43 1HG GLU 43 -13.024 8.741 3.500 350 H LEU 44 H LEU 44 -9.924 7.405 5.893 351 HA LEU 44 HA LEU 44 -9.296 7.884 8.710 352 1HB LEU 44 2HB LEU 44 -9.913 5.675 8.529 353 2HB LEU 44 1HB LEU 44 -9.262 5.511 6.910 354 HG LEU 44 HG LEU 44 -7.361 5.858 9.182 355 1HD1 LEU 44 1HD1 LEU 44 -7.358 3.292 9.268 356 2HD1 LEU 44 2HD1 LEU 44 -8.984 3.414 8.594 357 3HD1 LEU 44 3HD1 LEU 44 -8.616 4.161 10.149 358 1HD2 LEU 44 1HD2 LEU 44 -6.998 3.934 6.969 359 2HD2 LEU 44 2HD2 LEU 44 -5.837 5.021 7.732 360 3HD2 LEU 44 3HD2 LEU 44 -6.986 5.647 6.549 361 H PHE 45 H PHE 45 -7.084 7.763 9.437 362 HA PHE 45 HA PHE 45 -5.276 9.049 7.560 363 1HB PHE 45 2HB PHE 45 -5.551 9.940 9.857 364 2HB PHE 45 1HB PHE 45 -4.896 8.438 10.500 365 HD1 PHE 45 1HD PHE 45 -3.972 11.010 7.953 366 HD2 PHE 45 2HD PHE 45 -2.696 8.475 11.124 367 HE1 PHE 45 1HE PHE 45 -1.698 11.931 7.768 368 HE2 PHE 45 2HE PHE 45 -0.420 9.392 10.946 369 HZ PHE 45 HZ PHE 45 0.081 11.122 9.267 370 H PHE 46 H PHE 46 -5.001 7.120 6.229 371 HA PHE 46 HA PHE 46 -3.835 4.749 7.224 372 1HB PHE 46 2HB PHE 46 -4.212 5.951 4.518 373 2HB PHE 46 1HB PHE 46 -3.100 4.596 4.690 374 HD1 PHE 46 1HD PHE 46 -6.338 5.433 3.892 375 HD2 PHE 46 2HD PHE 46 -4.149 2.629 6.224 376 HE1 PHE 46 1HE PHE 46 -8.241 3.880 3.802 377 HE2 PHE 46 2HE PHE 46 -6.050 1.067 6.137 378 HZ PHE 46 HZ PHE 46 -8.102 1.695 4.928 379 HA PRO 47 HA PRO 47 0.287 6.466 7.628 380 1HB PRO 47 2HB PRO 47 1.251 4.099 8.822 381 2HB PRO 47 1HB PRO 47 0.699 5.553 9.646 382 1HG PRO 47 2HG PRO 47 -0.548 3.024 9.666 383 2HG PRO 47 1HG PRO 47 -1.203 4.538 10.297 384 1HD PRO 47 2HD PRO 47 -1.805 3.135 7.767 385 2HD PRO 47 1HD PRO 47 -2.801 4.266 8.701 386 H VAL 48 H VAL 48 -0.129 3.038 6.699 387 HA VAL 48 HA VAL 48 2.062 3.398 4.763 388 HB VAL 48 HB VAL 48 1.114 0.799 5.971 389 1HG1 VAL 48 1HG1 VAL 48 3.071 1.522 3.895 390 2HG1 VAL 48 2HG1 VAL 48 2.164 0.029 4.133 391 3HG1 VAL 48 3HG1 VAL 48 3.617 0.339 5.083 392 1HG2 VAL 48 1HG2 VAL 48 2.300 2.601 7.460 393 2HG2 VAL 48 2HG2 VAL 48 3.744 2.030 6.627 394 3HG2 VAL 48 3HG2 VAL 48 2.761 0.903 7.561 395 H ILE 49 H ILE 49 1.546 3.303 2.683 396 HA ILE 49 HA ILE 49 -1.008 2.039 1.920 397 HB ILE 49 HB ILE 49 0.484 4.177 0.390 398 1HG1 ILE 49 2HG1 ILE 49 -0.378 5.005 2.567 399 2HG1 ILE 49 1HG1 ILE 49 -1.184 5.750 1.190 400 1HG2 ILE 49 1HG2 ILE 49 -1.922 2.558 -0.117 401 2HG2 ILE 49 2HG2 ILE 49 -0.805 3.323 -1.248 402 3HG2 ILE 49 3HG2 ILE 49 -2.069 4.279 -0.474 403 1HD1 ILE 49 1HD1 ILE 49 -2.240 3.716 3.111 404 2HD1 ILE 49 2HD1 ILE 49 -2.980 3.955 1.528 405 3HD1 ILE 49 3HD1 ILE 49 -2.904 5.291 2.677 406 H VAL 50 H VAL 50 -0.873 0.252 0.706 407 HA VAL 50 HA VAL 50 1.568 -0.154 -0.894 408 HB VAL 50 HB VAL 50 0.121 -2.308 0.645 409 1HG1 VAL 50 1HG1 VAL 50 2.701 -2.421 -0.916 410 2HG1 VAL 50 2HG1 VAL 50 1.154 -3.074 -1.456 411 3HG1 VAL 50 3HG1 VAL 50 1.949 -3.750 -0.035 412 1HG2 VAL 50 1HG2 VAL 50 2.878 -1.847 1.368 413 2HG2 VAL 50 2HG2 VAL 50 1.443 -1.907 2.390 414 3HG2 VAL 50 3HG2 VAL 50 1.905 -0.398 1.603 415 H LEU 51 H LEU 51 0.973 0.004 -2.926 416 HA LEU 51 HA LEU 51 -1.641 -0.838 -3.835 417 1HB LEU 51 2HB LEU 51 -0.624 1.186 -4.751 418 2HB LEU 51 1HB LEU 51 0.733 0.253 -5.352 419 HG LEU 51 HG LEU 51 -0.886 -0.995 -6.819 420 1HD1 LEU 51 1HD1 LEU 51 -3.023 -0.763 -6.138 421 2HD1 LEU 51 2HD1 LEU 51 -2.974 0.660 -7.179 422 3HD1 LEU 51 3HD1 LEU 51 -2.741 0.831 -5.439 423 1HD2 LEU 51 1HD2 LEU 51 -0.359 1.940 -7.094 424 2HD2 LEU 51 2HD2 LEU 51 -1.247 1.057 -8.335 425 3HD2 LEU 51 3HD2 LEU 51 0.404 0.587 -7.930 426 H ASP 52 H ASP 52 -1.933 -2.348 -5.612 427 HA ASP 52 HA ASP 52 0.207 -4.320 -5.949 428 1HB ASP 52 2HB ASP 52 -1.937 -4.750 -4.221 429 2HB ASP 52 1HB ASP 52 -2.385 -5.615 -5.688 430 H VAL 53 H VAL 53 0.456 -3.618 -8.053 431 HA VAL 53 HA VAL 53 -1.662 -3.348 -9.912 432 HB VAL 53 HB VAL 53 1.250 -3.895 -10.505 433 1HG1 VAL 53 1HG1 VAL 53 0.875 -3.092 -12.658 434 2HG1 VAL 53 2HG1 VAL 53 -0.656 -2.338 -12.214 435 3HG1 VAL 53 3HG1 VAL 53 -0.542 -4.093 -12.339 436 1HG2 VAL 53 1HG2 VAL 53 1.472 -1.985 -9.282 437 2HG2 VAL 53 2HG2 VAL 53 -0.172 -1.445 -9.620 438 3HG2 VAL 53 3HG2 VAL 53 1.082 -1.272 -10.847 439 H TRP 54 H TRP 54 -2.639 -5.507 -9.125 440 HA TRP 54 HA TRP 54 -1.452 -7.906 -10.179 441 1HB TRP 54 2HB TRP 54 -2.788 -8.057 -8.164 442 2HB TRP 54 1HB TRP 54 -4.181 -7.363 -8.986 443 HD1 TRP 54 HD TRP 54 -5.917 -9.214 -9.280 444 HE1 TRP 54 1HE TRP 54 -5.885 -11.680 -10.019 445 HE3 TRP 54 3HE TRP 54 -0.873 -9.828 -9.841 446 HZ2 TRP 54 2HZ TRP 54 -3.974 -13.627 -10.744 447 HZ3 TRP 54 3HZ TRP 54 -0.025 -12.024 -10.560 448 HH2 TRP 54 HH TRP 54 -1.544 -13.883 -11.002 449 H MET 55 H MET 55 -4.791 -6.857 -10.757 450 HA MET 55 HA MET 55 -4.329 -6.836 -13.631 451 1HB MET 55 2HB MET 55 -5.022 -9.191 -12.705 452 2HB MET 55 1HB MET 55 -6.625 -8.474 -12.628 453 1HG MET 55 2HG MET 55 -5.806 -7.796 -15.146 454 2HG MET 55 1HG MET 55 -5.080 -9.388 -14.926 455 1HE MET 55 1HE MET 55 -6.736 -11.574 -15.848 456 2HE MET 55 2HE MET 55 -7.865 -11.802 -14.512 457 3HE MET 55 3HE MET 55 -6.189 -11.361 -14.185 458 HA PRO 56 HA PRO 56 -7.706 -3.952 -12.192 459 1HB PRO 56 2HB PRO 56 -6.339 -1.722 -11.505 460 2HB PRO 56 1HB PRO 56 -6.651 -3.034 -10.370 461 1HG PRO 56 2HG PRO 56 -4.135 -2.224 -11.622 462 2HG PRO 56 1HG PRO 56 -4.401 -3.241 -10.201 463 1HD PRO 56 2HD PRO 56 -3.823 -4.041 -12.924 464 2HD PRO 56 1HD PRO 56 -3.934 -5.045 -11.470 465 H ASP 57 H ASP 57 -7.719 -1.338 -12.844 466 HA ASP 57 HA ASP 57 -6.647 -1.096 -15.558 467 1HB ASP 57 2HB ASP 57 -8.813 -0.297 -16.406 468 2HB ASP 57 1HB ASP 57 -8.928 -1.953 -15.817 469 H GLY 58 H GLY 58 -5.946 0.120 -12.994 470 1HA GLY 58 2HA GLY 58 -6.762 2.913 -13.451 471 2HA GLY 58 1HA GLY 58 -6.133 2.277 -11.939 472 H ASP 59 H ASP 59 -3.837 1.491 -12.017 473 HA ASP 59 HA ASP 59 -1.630 1.969 -12.297 474 1HB ASP 59 2HB ASP 59 -2.765 1.756 -14.959 475 2HB ASP 59 1HB ASP 59 -1.394 2.859 -14.940 476 H GLY 60 H GLY 60 -3.437 4.071 -11.435 477 1HA GLY 60 2HA GLY 60 -2.718 6.536 -12.665 478 2HA GLY 60 1HA GLY 60 -3.507 6.345 -11.108 479 H VAL 61 H VAL 61 -0.462 6.671 -12.769 480 HA VAL 61 HA VAL 61 1.308 6.265 -10.656 481 HB VAL 61 HB VAL 61 1.576 8.204 -12.959 482 1HG1 VAL 61 1HG1 VAL 61 3.686 6.932 -11.228 483 2HG1 VAL 61 2HG1 VAL 61 3.173 8.618 -11.157 484 3HG1 VAL 61 3HG1 VAL 61 3.969 7.999 -12.603 485 1HG2 VAL 61 1HG2 VAL 61 2.955 5.602 -13.023 486 2HG2 VAL 61 2HG2 VAL 61 2.168 6.503 -14.318 487 3HG2 VAL 61 3HG2 VAL 61 1.201 5.542 -13.199 488 H ASN 62 H ASN 62 -0.502 9.125 -11.651 489 HA ASN 62 HA ASN 62 0.712 10.943 -9.865 490 1HB ASN 62 2HB ASN 62 -1.167 11.099 -11.900 491 2HB ASN 62 1HB ASN 62 -2.079 11.543 -10.461 492 1HD2 ASN 62 1HD2 ASN 62 1.113 12.157 -11.888 493 2HD2 ASN 62 2HD2 ASN 62 1.116 13.854 -11.567 494 H PHE 63 H PHE 63 -1.468 8.378 -9.310 495 HA PHE 63 HA PHE 63 -3.066 9.295 -7.248 496 1HB PHE 63 2HB PHE 63 -3.197 7.028 -8.314 497 2HB PHE 63 1HB PHE 63 -1.800 6.552 -7.353 498 HD1 PHE 63 1HD PHE 63 -5.142 8.132 -6.884 499 HD2 PHE 63 2HD PHE 63 -2.200 5.458 -5.365 500 HE1 PHE 63 1HE PHE 63 -6.635 7.555 -5.022 501 HE2 PHE 63 2HE PHE 63 -3.693 4.877 -3.496 502 HZ PHE 63 HZ PHE 63 -5.913 5.929 -3.322 503 H ILE 64 H ILE 64 0.213 7.945 -7.049 504 HA ILE 64 HA ILE 64 0.610 7.869 -4.343 505 HB ILE 64 HB ILE 64 2.658 8.921 -6.296 506 1HG1 ILE 64 2HG1 ILE 64 2.895 6.109 -5.673 507 2HG1 ILE 64 1HG1 ILE 64 1.314 6.451 -6.368 508 1HG2 ILE 64 1HG2 ILE 64 4.209 8.659 -4.696 509 2HG2 ILE 64 2HG2 ILE 64 3.480 7.170 -4.094 510 3HG2 ILE 64 3HG2 ILE 64 2.838 8.733 -3.589 511 1HD1 ILE 64 1HD1 ILE 64 3.885 6.295 -7.641 512 2HD1 ILE 64 2HD1 ILE 64 3.112 7.847 -7.963 513 3HD1 ILE 64 3HD1 ILE 64 2.274 6.345 -8.356 514 H ASP 65 H ASP 65 0.362 10.677 -6.389 515 HA ASP 65 HA ASP 65 1.474 12.569 -4.606 516 1HB ASP 65 2HB ASP 65 0.519 12.638 -7.195 517 2HB ASP 65 1HB ASP 65 -0.685 13.578 -6.319 518 H PHE 66 H PHE 66 -1.920 11.592 -5.224 519 HA PHE 66 HA PHE 66 -3.149 13.284 -3.408 520 1HB PHE 66 2HB PHE 66 -4.709 12.178 -4.677 521 2HB PHE 66 1HB PHE 66 -3.813 10.666 -4.657 522 HD1 PHE 66 1HD PHE 66 -4.485 8.925 -3.278 523 HD2 PHE 66 2HD PHE 66 -5.923 12.856 -2.522 524 HE1 PHE 66 1HE PHE 66 -6.025 8.030 -1.581 525 HE2 PHE 66 2HE PHE 66 -7.467 11.970 -0.825 526 HZ PHE 66 HZ PHE 66 -7.517 9.555 -0.351 527 H ILE 67 H ILE 67 -1.639 10.129 -2.899 528 HA ILE 67 HA ILE 67 -2.371 9.810 -0.198 529 HB ILE 67 HB ILE 67 -0.119 8.687 -1.850 530 1HG1 ILE 67 2HG1 ILE 67 -1.490 6.566 -1.013 531 2HG1 ILE 67 1HG1 ILE 67 -2.765 7.766 -0.824 532 1HG2 ILE 67 1HG2 ILE 67 0.859 8.832 0.319 533 2HG2 ILE 67 2HG2 ILE 67 0.350 7.159 0.082 534 3HG2 ILE 67 3HG2 ILE 67 -0.615 8.241 1.088 535 1HD1 ILE 67 1HD1 ILE 67 -1.627 8.177 -3.366 536 2HD1 ILE 67 2HD1 ILE 67 -3.228 7.557 -2.971 537 3HD1 ILE 67 3HD1 ILE 67 -1.879 6.442 -3.181 538 H LYS 68 H LYS 68 0.475 11.301 -1.715 539 HA LYS 68 HA LYS 68 1.625 12.017 0.825 540 1HB LYS 68 2HB LYS 68 3.459 12.819 -0.365 541 2HB LYS 68 1HB LYS 68 2.879 11.491 -1.355 542 1HG LYS 68 2HG LYS 68 2.790 12.858 -3.078 543 2HG LYS 68 1HG LYS 68 1.545 13.792 -2.251 544 1HD LYS 68 2HD LYS 68 3.138 15.266 -1.312 545 2HD LYS 68 1HD LYS 68 4.480 14.211 -1.757 546 1HE LYS 68 2HE LYS 68 4.663 15.723 -3.443 547 2HE LYS 68 1HE LYS 68 3.491 14.636 -4.188 548 1HZ LYS 68 1HZ LYS 68 1.726 16.084 -3.609 549 2HZ LYS 68 2HZ LYS 68 2.926 17.047 -4.312 550 3HZ LYS 68 3HZ LYS 68 2.721 17.040 -2.632 551 H GLU 69 H GLU 69 -0.696 13.362 -1.267 552 HA GLU 69 HA GLU 69 -0.289 16.115 -0.677 553 1HB GLU 69 2HB GLU 69 -1.568 15.078 -2.642 554 2HB GLU 69 1HB GLU 69 -2.902 14.901 -1.511 555 1HG GLU 69 2HG GLU 69 -2.331 17.483 -1.108 556 2HG GLU 69 1HG GLU 69 -1.800 17.321 -2.781 557 H ASN 70 H ASN 70 -2.480 13.631 0.576 558 HA ASN 70 HA ASN 70 -3.149 15.440 2.802 559 1HB ASN 70 2HB ASN 70 -4.758 13.023 1.993 560 2HB ASN 70 1HB ASN 70 -5.259 14.384 2.994 561 1HD2 ASN 70 1HD2 ASN 70 -4.159 13.596 -0.273 562 2HD2 ASN 70 2HD2 ASN 70 -5.119 14.783 -1.074 563 H SER 71 H SER 71 -1.023 13.138 2.209 564 HA SER 71 HA SER 71 -0.909 12.301 4.965 565 1HB SER 71 2HB SER 71 -1.961 10.538 2.899 566 2HB SER 71 1HB SER 71 -0.547 9.847 3.693 567 HG SER 71 HG SER 71 -1.601 9.787 5.565 568 HA PRO 72 HA PRO 72 3.121 12.907 2.639 569 1HB PRO 72 2HB PRO 72 3.708 14.818 4.781 570 2HB PRO 72 1HB PRO 72 3.784 15.045 3.032 571 1HG PRO 72 2HG PRO 72 1.884 16.209 4.549 572 2HG PRO 72 1HG PRO 72 1.576 15.681 2.884 573 1HD PRO 72 2HD PRO 72 0.837 14.353 5.463 574 2HD PRO 72 1HD PRO 72 -0.110 14.524 3.970 575 H ASP 73 H ASP 73 2.140 12.328 5.865 576 HA ASP 73 HA ASP 73 4.757 11.290 6.637 577 1HB ASP 73 2HB ASP 73 2.548 12.461 8.046 578 2HB ASP 73 1HB ASP 73 2.938 10.887 8.731 579 H SER 74 H SER 74 2.863 10.011 4.676 580 HA SER 74 HA SER 74 2.347 7.482 6.073 581 1HB SER 74 2HB SER 74 0.386 8.379 4.965 582 2HB SER 74 1HB SER 74 1.276 8.557 3.453 583 HG SER 74 HG SER 74 0.764 6.578 3.025 584 H VAL 75 H VAL 75 2.430 5.608 4.212 585 HA VAL 75 HA VAL 75 5.099 5.833 2.986 586 HB VAL 75 HB VAL 75 3.932 3.309 4.169 587 1HG1 VAL 75 1HG1 VAL 75 5.437 2.746 2.433 588 2HG1 VAL 75 2HG1 VAL 75 6.341 2.563 3.936 589 3HG1 VAL 75 3HG1 VAL 75 6.589 3.987 2.926 590 1HG2 VAL 75 1HG2 VAL 75 4.492 4.198 6.145 591 2HG2 VAL 75 2HG2 VAL 75 5.401 5.512 5.397 592 3HG2 VAL 75 3HG2 VAL 75 6.162 3.939 5.642 593 H VAL 76 H VAL 76 5.466 4.499 1.139 594 HA VAL 76 HA VAL 76 3.120 3.417 -0.216 595 HB VAL 76 HB VAL 76 4.821 5.172 -1.900 596 1HG1 VAL 76 1HG1 VAL 76 2.666 3.639 -2.397 597 2HG1 VAL 76 2HG1 VAL 76 3.101 5.060 -3.348 598 3HG1 VAL 76 3HG1 VAL 76 1.884 5.187 -2.078 599 1HG2 VAL 76 1HG2 VAL 76 2.667 6.250 -0.087 600 2HG2 VAL 76 2HG2 VAL 76 3.472 7.147 -1.374 601 3HG2 VAL 76 3HG2 VAL 76 4.391 6.599 0.028 602 H ILE 77 H ILE 77 3.835 1.385 -0.463 603 HA ILE 77 HA ILE 77 6.583 0.885 -1.277 604 HB ILE 77 HB ILE 77 4.394 -1.119 -0.723 605 1HG1 ILE 77 2HG1 ILE 77 4.816 0.222 1.268 606 2HG1 ILE 77 1HG1 ILE 77 5.484 -1.393 1.482 607 1HG2 ILE 77 1HG2 ILE 77 6.385 -1.825 -2.112 608 2HG2 ILE 77 2HG2 ILE 77 6.091 -2.763 -0.647 609 3HG2 ILE 77 3HG2 ILE 77 7.370 -1.549 -0.676 610 1HD1 ILE 77 1HD1 ILE 77 7.708 -0.429 0.792 611 2HD1 ILE 77 2HD1 ILE 77 7.073 0.116 2.345 612 3HD1 ILE 77 3HD1 ILE 77 6.959 1.161 0.928 613 H VAL 78 H VAL 78 3.290 0.397 -2.492 614 HA VAL 78 HA VAL 78 2.496 -0.247 -4.542 615 HB VAL 78 HB VAL 78 4.813 1.450 -5.494 616 1HG1 VAL 78 1HG1 VAL 78 2.164 0.929 -6.836 617 2HG1 VAL 78 2HG1 VAL 78 3.650 0.063 -7.223 618 3HG1 VAL 78 3HG1 VAL 78 3.549 1.804 -7.492 619 1HG2 VAL 78 1HG2 VAL 78 2.249 2.110 -4.193 620 2HG2 VAL 78 2HG2 VAL 78 2.676 3.080 -5.603 621 3HG2 VAL 78 3HG2 VAL 78 3.773 2.998 -4.222 622 H ILE 79 H ILE 79 2.944 -2.463 -4.461 623 HA ILE 79 HA ILE 79 5.417 -3.359 -5.773 624 HB ILE 79 HB ILE 79 3.537 -5.291 -4.493 625 1HG1 ILE 79 2HG1 ILE 79 5.498 -3.629 -2.905 626 2HG1 ILE 79 1HG1 ILE 79 3.755 -3.385 -2.894 627 1HG2 ILE 79 1HG2 ILE 79 6.043 -5.958 -3.721 628 2HG2 ILE 79 2HG2 ILE 79 6.370 -5.146 -5.251 629 3HG2 ILE 79 3HG2 ILE 79 5.276 -6.528 -5.201 630 1HD1 ILE 79 1HD1 ILE 79 4.387 -4.632 -0.954 631 2HD1 ILE 79 2HD1 ILE 79 5.247 -5.814 -1.941 632 3HD1 ILE 79 3HD1 ILE 79 3.491 -5.693 -2.041 633 H THR 80 H THR 80 4.862 -5.690 -6.873 634 HA THR 80 HA THR 80 3.775 -6.863 -8.504 635 HB THR 80 HB THR 80 1.543 -4.947 -8.829 636 HG1 THR 80 1HG THR 80 0.624 -5.955 -6.841 637 1HG2 THR 80 1HG2 THR 80 0.180 -6.957 -8.709 638 2HG2 THR 80 2HG2 THR 80 1.620 -7.915 -8.368 639 3HG2 THR 80 3HG2 THR 80 1.449 -7.102 -9.924 640 H GLY 81 H GLY 81 3.870 -6.843 -10.724 641 1HA GLY 81 2HA GLY 81 3.893 -4.367 -12.204 642 2HA GLY 81 1HA GLY 81 5.480 -5.106 -12.047 643 H HIS 82 H HIS 82 6.053 -6.381 -13.667 644 HA HIS 82 HA HIS 82 4.530 -8.458 -14.725 645 1HB HIS 82 2HB HIS 82 3.701 -5.963 -15.739 646 2HB HIS 82 1HB HIS 82 4.634 -6.721 -17.026 647 HD1 HIS 82 1HD HIS 82 3.647 -9.678 -16.100 648 HD2 HIS 82 2HD HIS 82 1.294 -6.404 -17.107 649 HE1 HIS 82 1HE HIS 82 1.431 -10.634 -16.804 650 HE2 HIS 82 2HE HIS 82 0.050 -8.640 -17.485 651 H GLY 83 H GLY 83 6.819 -5.942 -15.783 652 1HA GLY 83 2HA GLY 83 8.969 -7.794 -15.999 653 2HA GLY 83 1HA GLY 83 8.303 -7.432 -17.584 654 H SER 84 H SER 84 7.646 -4.731 -17.184 655 HA SER 84 HA SER 84 10.265 -3.561 -17.478 656 1HB SER 84 2HB SER 84 8.685 -2.750 -19.033 657 2HB SER 84 1HB SER 84 7.457 -2.512 -17.790 658 HG SER 84 HG SER 84 8.624 -0.584 -18.585 659 H VAL 85 H VAL 85 11.396 -2.595 -15.934 660 HA VAL 85 HA VAL 85 10.241 -2.225 -13.309 661 HB VAL 85 HB VAL 85 13.036 -1.521 -14.202 662 1HG1 VAL 85 1HG1 VAL 85 12.773 -0.539 -12.135 663 2HG1 VAL 85 2HG1 VAL 85 13.387 -2.132 -11.691 664 3HG1 VAL 85 3HG1 VAL 85 11.662 -1.785 -11.565 665 1HG2 VAL 85 1HG2 VAL 85 11.776 -4.131 -13.631 666 2HG2 VAL 85 2HG2 VAL 85 13.353 -3.846 -12.896 667 3HG2 VAL 85 3HG2 VAL 85 13.163 -3.736 -14.646 668 H ASP 86 H ASP 86 10.368 -0.347 -16.056 669 HA ASP 86 HA ASP 86 11.055 2.191 -15.059 670 1HB ASP 86 2HB ASP 86 9.150 1.511 -17.309 671 2HB ASP 86 1HB ASP 86 9.912 3.075 -17.035 672 H THR 87 H THR 87 8.299 0.249 -14.490 673 HA THR 87 HA THR 87 6.459 2.387 -13.982 674 HB THR 87 HB THR 87 5.973 -0.136 -14.513 675 HG1 THR 87 1HG THR 87 4.461 1.177 -12.512 676 1HG2 THR 87 1HG2 THR 87 7.188 -0.761 -12.266 677 2HG2 THR 87 2HG2 THR 87 5.768 -1.646 -12.823 678 3HG2 THR 87 3HG2 THR 87 5.603 -0.405 -11.581 679 H ALA 88 H ALA 88 8.736 0.510 -12.114 680 HA ALA 88 HA ALA 88 7.941 1.276 -9.534 681 1HB ALA 88 1HB ALA 88 10.336 0.771 -8.936 682 2HB ALA 88 2HB ALA 88 10.626 0.489 -10.651 683 3HB ALA 88 3HB ALA 88 9.482 -0.525 -9.773 684 H VAL 89 H VAL 89 10.577 2.548 -11.540 685 HA VAL 89 HA VAL 89 11.180 4.754 -9.932 686 HB VAL 89 HB VAL 89 12.386 5.653 -11.836 687 1HG1 VAL 89 1HG1 VAL 89 12.953 3.347 -10.583 688 2HG1 VAL 89 2HG1 VAL 89 13.995 4.062 -11.814 689 3HG1 VAL 89 3HG1 VAL 89 12.875 2.771 -12.248 690 1HG2 VAL 89 1HG2 VAL 89 12.273 4.312 -14.015 691 2HG2 VAL 89 2HG2 VAL 89 10.938 5.411 -13.665 692 3HG2 VAL 89 3HG2 VAL 89 10.747 3.679 -13.398 693 H LYS 90 H LYS 90 8.641 4.236 -12.245 694 HA LYS 90 HA LYS 90 8.048 7.009 -12.665 695 1HB LYS 90 2HB LYS 90 7.453 5.388 -14.361 696 2HB LYS 90 1HB LYS 90 6.454 4.502 -13.218 697 1HG LYS 90 2HG LYS 90 4.861 6.275 -13.123 698 2HG LYS 90 1HG LYS 90 5.912 7.340 -14.055 699 1HD LYS 90 2HD LYS 90 4.811 4.740 -15.107 700 2HD LYS 90 1HD LYS 90 4.030 6.304 -15.353 701 1HE LYS 90 2HE LYS 90 6.698 5.363 -16.368 702 2HE LYS 90 1HE LYS 90 5.303 5.911 -17.298 703 1HZ LYS 90 1HZ LYS 90 6.868 7.659 -17.305 704 2HZ LYS 90 2HZ LYS 90 7.128 7.553 -15.637 705 3HZ LYS 90 3HZ LYS 90 5.653 8.133 -16.228 706 H ALA 91 H ALA 91 7.379 4.771 -10.165 707 HA ALA 91 HA ALA 91 5.192 6.472 -9.166 708 1HB ALA 91 1HB ALA 91 4.685 4.460 -7.698 709 2HB ALA 91 2HB ALA 91 5.802 3.564 -8.727 710 3HB ALA 91 3HB ALA 91 4.354 4.293 -9.422 711 H ILE 92 H ILE 92 8.198 4.840 -8.233 712 HA ILE 92 HA ILE 92 8.118 5.786 -5.546 713 HB ILE 92 HB ILE 92 10.168 4.762 -5.194 714 1HG1 ILE 92 2HG1 ILE 92 10.718 5.043 -8.154 715 2HG1 ILE 92 1HG1 ILE 92 11.509 5.923 -6.851 716 1HG2 ILE 92 1HG2 ILE 92 9.695 2.940 -7.401 717 2HG2 ILE 92 2HG2 ILE 92 8.207 3.389 -6.567 718 3HG2 ILE 92 3HG2 ILE 92 9.545 2.680 -5.664 719 1HD1 ILE 92 1HD1 ILE 92 12.447 3.809 -6.023 720 2HD1 ILE 92 2HD1 ILE 92 12.950 4.174 -7.674 721 3HD1 ILE 92 3HD1 ILE 92 11.698 2.967 -7.380 722 H LYS 93 H LYS 93 9.149 7.168 -8.529 723 HA LYS 93 HA LYS 93 10.999 9.053 -7.482 724 1HB LYS 93 2HB LYS 93 9.479 8.775 -10.044 725 2HB LYS 93 1HB LYS 93 10.273 10.301 -9.685 726 1HG LYS 93 2HG LYS 93 11.740 7.687 -9.587 727 2HG LYS 93 1HG LYS 93 11.562 8.615 -11.077 728 1HD LYS 93 2HD LYS 93 12.471 10.585 -9.640 729 2HD LYS 93 1HD LYS 93 13.059 9.304 -8.580 730 1HE LYS 93 2HE LYS 93 14.668 8.679 -10.022 731 2HE LYS 93 1HE LYS 93 13.626 8.891 -11.429 732 1HZ LYS 93 1HZ LYS 93 15.294 10.498 -11.634 733 2HZ LYS 93 2HZ LYS 93 15.212 10.943 -10.004 734 3HZ LYS 93 3HZ LYS 93 13.956 11.357 -11.058 735 H LYS 94 H LYS 94 7.531 8.952 -7.808 736 HA LYS 94 HA LYS 94 6.987 11.694 -7.459 737 1HB LYS 94 2HB LYS 94 5.404 9.186 -7.064 738 2HB LYS 94 1HB LYS 94 4.744 10.738 -6.566 739 1HG LYS 94 2HG LYS 94 5.834 10.512 -9.315 740 2HG LYS 94 1HG LYS 94 4.292 9.728 -8.961 741 1HD LYS 94 2HD LYS 94 3.687 11.864 -9.693 742 2HD LYS 94 1HD LYS 94 3.610 11.978 -7.933 743 1HE LYS 94 2HE LYS 94 5.639 13.163 -7.818 744 2HE LYS 94 1HE LYS 94 6.073 12.742 -9.474 745 1HZ LYS 94 1HZ LYS 94 5.307 15.051 -9.232 746 2HZ LYS 94 2HZ LYS 94 3.793 14.491 -8.723 747 3HZ LYS 94 3HZ LYS 94 4.335 14.160 -10.291 748 H GLY 95 H GLY 95 6.808 9.022 -5.096 749 1HA GLY 95 2HA GLY 95 8.117 10.342 -3.027 750 2HA GLY 95 1HA GLY 95 6.413 10.736 -2.871 751 H ALA 96 H ALA 96 7.679 7.647 -4.036 752 HA ALA 96 HA ALA 96 6.228 6.320 -1.894 753 1HB ALA 96 1HB ALA 96 6.077 4.509 -3.244 754 2HB ALA 96 2HB ALA 96 7.713 4.703 -3.869 755 3HB ALA 96 3HB ALA 96 6.404 5.703 -4.498 756 H TYR 97 H TYR 97 7.640 3.989 -1.589 757 HA TYR 97 HA TYR 97 10.041 4.942 -0.197 758 1HB TYR 97 2HB TYR 97 8.417 4.029 1.326 759 2HB TYR 97 1HB TYR 97 8.239 2.581 0.346 760 HD1 TYR 97 1HD TYR 97 10.803 4.466 2.295 761 HD2 TYR 97 2HD TYR 97 9.445 0.681 0.908 762 HE1 TYR 97 1HE TYR 97 12.533 3.357 3.645 763 HE2 TYR 97 2HE TYR 97 11.171 -0.439 2.253 764 HH TYR 97 HH TYR 97 13.733 1.283 3.760 765 H GLU 98 H GLU 98 8.960 2.971 -2.726 766 HA GLU 98 HA GLU 98 11.038 2.458 -4.200 767 1HB GLU 98 2HB GLU 98 12.203 0.400 -3.414 768 2HB GLU 98 1HB GLU 98 12.493 1.791 -2.383 769 1HG GLU 98 2HG GLU 98 10.400 0.735 -1.096 770 2HG GLU 98 1HG GLU 98 11.059 -0.729 -1.824 771 H PHE 99 H PHE 99 11.189 -0.131 -4.922 772 HA PHE 99 HA PHE 99 8.379 -0.979 -5.180 773 1HB PHE 99 2HB PHE 99 10.086 -0.125 -7.223 774 2HB PHE 99 1HB PHE 99 10.052 -1.879 -7.369 775 HD1 PHE 99 1HD PHE 99 8.468 -2.753 -8.768 776 HD2 PHE 99 2HD PHE 99 7.642 0.910 -6.764 777 HE1 PHE 99 1HE PHE 99 6.303 -2.612 -9.928 778 HE2 PHE 99 2HE PHE 99 5.475 1.057 -7.921 779 HZ PHE 99 HZ PHE 99 4.803 -0.705 -9.504 780 H LEU 100 H LEU 100 8.419 -2.542 -3.606 781 HA LEU 100 HA LEU 100 10.428 -4.366 -3.055 782 1HB LEU 100 2HB LEU 100 8.165 -3.847 -1.874 783 2HB LEU 100 1HB LEU 100 7.537 -5.126 -2.890 784 HG LEU 100 HG LEU 100 9.014 -6.741 -1.885 785 1HD1 LEU 100 1HD1 LEU 100 11.018 -5.602 -1.490 786 2HD1 LEU 100 2HD1 LEU 100 10.393 -5.954 0.122 787 3HD1 LEU 100 3HD1 LEU 100 10.219 -4.336 -0.556 788 1HD2 LEU 100 1HD2 LEU 100 7.995 -5.204 0.460 789 2HD2 LEU 100 2HD2 LEU 100 7.934 -6.937 0.137 790 3HD2 LEU 100 3HD2 LEU 100 6.859 -5.841 -0.730 791 H GLU 101 H GLU 101 10.990 -6.372 -3.821 792 HA GLU 101 HA GLU 101 9.990 -7.037 -6.478 793 1HB GLU 101 2HB GLU 101 12.293 -8.223 -4.922 794 2HB GLU 101 1HB GLU 101 11.907 -8.555 -6.604 795 1HG GLU 101 2HG GLU 101 13.393 -6.959 -7.055 796 2HG GLU 101 1HG GLU 101 12.102 -5.843 -6.617 797 H LYS 102 H LYS 102 8.644 -7.622 -3.749 798 HA LYS 102 HA LYS 102 7.441 -9.285 -2.766 799 1HB LYS 102 2HB LYS 102 6.656 -9.119 -5.308 800 2HB LYS 102 1HB LYS 102 7.273 -10.764 -5.343 801 1HG LYS 102 2HG LYS 102 5.753 -11.448 -3.634 802 2HG LYS 102 1HG LYS 102 5.243 -9.782 -3.353 803 1HD LYS 102 2HD LYS 102 3.858 -9.771 -5.136 804 2HD LYS 102 1HD LYS 102 4.960 -10.734 -6.123 805 1HE LYS 102 2HE LYS 102 4.183 -12.750 -5.232 806 2HE LYS 102 1HE LYS 102 3.451 -11.956 -3.839 807 1HZ LYS 102 1HZ LYS 102 1.585 -11.512 -4.970 808 2HZ LYS 102 2HZ LYS 102 2.098 -12.748 -6.007 809 3HZ LYS 102 3HZ LYS 102 2.398 -11.131 -6.404 810 HA PRO 103 HA PRO 103 11.258 -12.151 -2.957 811 1HB PRO 103 2HB PRO 103 11.416 -11.346 -0.113 812 2HB PRO 103 1HB PRO 103 12.703 -11.487 -1.314 813 1HG PRO 103 2HG PRO 103 11.832 -9.098 -0.490 814 2HG PRO 103 1HG PRO 103 12.316 -9.377 -2.172 815 1HD PRO 103 2HD PRO 103 9.575 -9.187 -0.992 816 2HD PRO 103 1HD PRO 103 10.183 -8.575 -2.542 817 H PHE 104 H PHE 104 11.046 -14.252 -2.419 818 HA PHE 104 HA PHE 104 10.191 -16.178 -1.570 819 1HB PHE 104 2HB PHE 104 9.902 -14.273 0.689 820 2HB PHE 104 1HB PHE 104 8.977 -15.767 0.789 821 HD1 PHE 104 1HD PHE 104 12.156 -14.232 1.251 822 HD2 PHE 104 2HD PHE 104 10.242 -17.962 0.522 823 HE1 PHE 104 1HE PHE 104 14.163 -15.412 2.048 824 HE2 PHE 104 2HE PHE 104 12.246 -19.149 1.318 825 HZ PHE 104 HZ PHE 104 14.210 -17.874 2.081 826 H SER 105 H SER 105 7.770 -13.958 -0.217 827 HA SER 105 HA SER 105 5.835 -14.489 -2.240 828 1HB SER 105 2HB SER 105 4.273 -15.826 -0.958 829 2HB SER 105 1HB SER 105 5.823 -16.663 -1.022 830 HG SER 105 HG SER 105 6.212 -15.580 1.086 831 H VAL 106 H VAL 106 6.448 -13.464 1.087 832 HA VAL 106 HA VAL 106 5.318 -10.920 0.713 833 HB VAL 106 HB VAL 106 3.187 -12.101 0.652 834 1HG1 VAL 106 1HG1 VAL 106 4.056 -13.172 3.326 835 2HG1 VAL 106 2HG1 VAL 106 3.633 -14.081 1.875 836 3HG1 VAL 106 3HG1 VAL 106 2.384 -13.210 2.764 837 1HG2 VAL 106 1HG2 VAL 106 3.683 -10.454 3.127 838 2HG2 VAL 106 2HG2 VAL 106 2.075 -10.911 2.564 839 3HG2 VAL 106 3HG2 VAL 106 3.107 -9.898 1.555 840 H GLU 107 H GLU 107 6.370 -13.461 2.894 841 HA GLU 107 HA GLU 107 6.402 -12.238 5.333 842 1HB GLU 107 2HB GLU 107 7.281 -14.552 4.618 843 2HB GLU 107 1HB GLU 107 8.812 -13.730 4.351 844 1HG GLU 107 2HG GLU 107 7.755 -13.033 6.922 845 2HG GLU 107 1HG GLU 107 7.822 -14.785 6.743 846 H ARG 108 H ARG 108 8.536 -11.637 2.605 847 HA ARG 108 HA ARG 108 10.371 -9.970 3.996 848 1HB ARG 108 2HB ARG 108 10.315 -11.101 1.508 849 2HB ARG 108 1HB ARG 108 9.978 -9.417 1.130 850 1HG ARG 108 2HG ARG 108 12.293 -10.222 2.859 851 2HG ARG 108 1HG ARG 108 12.408 -10.164 1.100 852 1HD ARG 108 2HD ARG 108 12.277 -7.890 1.028 853 2HD ARG 108 1HD ARG 108 11.280 -7.794 2.479 854 HE ARG 108 HE ARG 108 13.185 -7.530 3.702 855 1HH1 ARG 108 1HH1 ARG 108 14.041 -8.961 0.635 856 2HH1 ARG 108 2HH1 ARG 108 15.746 -8.878 0.931 857 1HH2 ARG 108 1HH2 ARG 108 15.426 -7.420 4.093 858 2HH2 ARG 108 2HH2 ARG 108 16.532 -8.003 2.894 859 H PHE 109 H PHE 109 7.411 -9.408 2.179 860 HA PHE 109 HA PHE 109 7.437 -6.623 2.052 861 1HB PHE 109 2HB PHE 109 5.786 -7.847 0.813 862 2HB PHE 109 1HB PHE 109 5.158 -8.603 2.271 863 HD1 PHE 109 1HD PHE 109 5.871 -5.062 1.340 864 HD2 PHE 109 2HD PHE 109 3.005 -7.923 2.648 865 HE1 PHE 109 1HE PHE 109 4.186 -3.282 1.526 866 HE2 PHE 109 2HE PHE 109 1.314 -6.148 2.835 867 HZ PHE 109 HZ PHE 109 1.902 -3.825 2.274 868 H LEU 110 H LEU 110 6.704 -8.808 4.667 869 HA LEU 110 HA LEU 110 5.389 -7.073 6.424 870 1HB LEU 110 2HB LEU 110 6.004 -9.663 6.483 871 2HB LEU 110 1HB LEU 110 7.259 -9.058 7.547 872 HG LEU 110 HG LEU 110 4.324 -8.510 7.950 873 1HD1 LEU 110 1HD1 LEU 110 4.329 -10.224 9.623 874 2HD1 LEU 110 2HD1 LEU 110 6.044 -10.542 9.353 875 3HD1 LEU 110 3HD1 LEU 110 4.868 -10.921 8.094 876 1HD2 LEU 110 1HD2 LEU 110 6.762 -7.553 9.182 877 2HD2 LEU 110 2HD2 LEU 110 5.708 -8.345 10.354 878 3HD2 LEU 110 3HD2 LEU 110 5.100 -7.000 9.389 879 H LEU 111 H LEU 111 8.830 -7.933 6.249 880 HA LEU 111 HA LEU 111 9.853 -6.434 8.286 881 1HB LEU 111 2HB LEU 111 10.995 -7.019 5.572 882 2HB LEU 111 1HB LEU 111 11.911 -6.192 6.816 883 HG LEU 111 HG LEU 111 10.955 -8.463 8.099 884 1HD1 LEU 111 1HD1 LEU 111 11.611 -9.039 5.234 885 2HD1 LEU 111 2HD1 LEU 111 10.268 -9.634 6.210 886 3HD1 LEU 111 3HD1 LEU 111 11.900 -10.235 6.498 887 1HD2 LEU 111 1HD2 LEU 111 13.268 -7.214 7.962 888 2HD2 LEU 111 2HD2 LEU 111 13.635 -8.495 6.806 889 3HD2 LEU 111 3HD2 LEU 111 13.172 -8.904 8.458 890 H THR 112 H THR 112 9.010 -5.291 5.040 891 HA THR 112 HA THR 112 10.050 -2.689 5.330 892 HB THR 112 HB THR 112 7.797 -3.706 3.584 893 HG1 THR 112 1HG THR 112 9.393 -3.893 2.038 894 1HG2 THR 112 1HG2 THR 112 8.234 -1.807 2.140 895 2HG2 THR 112 2HG2 THR 112 9.409 -1.182 3.296 896 3HG2 THR 112 3HG2 THR 112 7.704 -1.277 3.737 897 H ILE 113 H ILE 113 6.748 -3.949 5.739 898 HA ILE 113 HA ILE 113 5.370 -1.681 6.346 899 HB ILE 113 HB ILE 113 5.101 -4.509 7.179 900 1HG1 ILE 113 2HG1 ILE 113 2.920 -4.282 6.158 901 2HG1 ILE 113 1HG1 ILE 113 3.086 -2.531 6.100 902 1HG2 ILE 113 1HG2 ILE 113 3.749 -2.263 8.642 903 2HG2 ILE 113 2HG2 ILE 113 4.639 -3.633 9.307 904 3HG2 ILE 113 3HG2 ILE 113 3.062 -3.886 8.559 905 1HD1 ILE 113 1HD1 ILE 113 4.367 -4.612 4.403 906 2HD1 ILE 113 2HD1 ILE 113 5.165 -3.057 4.627 907 3HD1 ILE 113 3HD1 ILE 113 3.546 -3.122 3.938 908 H LYS 114 H LYS 114 7.126 -3.655 8.754 909 HA LYS 114 HA LYS 114 6.602 -2.167 11.004 910 1HB LYS 114 2HB LYS 114 8.022 -4.337 10.649 911 2HB LYS 114 1HB LYS 114 9.366 -3.208 10.562 912 1HG LYS 114 2HG LYS 114 7.447 -3.138 12.856 913 2HG LYS 114 1HG LYS 114 8.794 -4.278 12.825 914 1HD LYS 114 2HD LYS 114 9.083 -1.293 12.508 915 2HD LYS 114 1HD LYS 114 9.288 -2.155 14.033 916 1HE LYS 114 2HE LYS 114 10.841 -3.332 11.878 917 2HE LYS 114 1HE LYS 114 11.253 -1.640 12.154 918 1HZ LYS 114 1HZ LYS 114 12.092 -2.081 14.190 919 2HZ LYS 114 2HZ LYS 114 12.347 -3.612 13.516 920 3HZ LYS 114 3HZ LYS 114 11.006 -3.337 14.510 921 H HIS 115 H HIS 115 9.467 -1.824 8.920 922 HA HIS 115 HA HIS 115 10.401 0.540 10.082 923 1HB HIS 115 2HB HIS 115 11.052 -1.099 7.813 924 2HB HIS 115 1HB HIS 115 11.174 0.606 7.392 925 HD1 HIS 115 1HD HIS 115 13.503 1.362 7.649 926 HD2 HIS 115 2HD HIS 115 12.453 -1.391 10.579 927 HE1 HIS 115 1HE HIS 115 15.538 1.124 9.108 928 HE2 HIS 115 2HE HIS 115 14.903 -0.603 10.829 929 H ALA 116 H ALA 116 7.987 -0.027 7.609 930 HA ALA 116 HA ALA 116 7.833 2.550 6.524 931 1HB ALA 116 1HB ALA 116 5.663 1.928 5.707 932 2HB ALA 116 2HB ALA 116 5.538 0.631 6.895 933 3HB ALA 116 3HB ALA 116 6.727 0.526 5.597 934 H PHE 117 H PHE 117 6.667 1.243 9.527 935 HA PHE 117 HA PHE 117 4.963 3.520 10.078 936 1HB PHE 117 2HB PHE 117 5.660 1.002 11.572 937 2HB PHE 117 1HB PHE 117 4.769 2.306 12.345 938 HD1 PHE 117 1HD PHE 117 4.093 -0.711 11.435 939 HD2 PHE 117 2HD PHE 117 3.059 3.190 10.083 940 HE1 PHE 117 1HE PHE 117 1.993 -1.587 10.501 941 HE2 PHE 117 2HE PHE 117 0.965 2.313 9.148 942 HZ PHE 117 HZ PHE 117 0.429 -0.076 9.364 943 H GLU 118 H GLU 118 7.809 2.040 11.642 944 HA GLU 118 HA GLU 118 8.270 4.117 13.461 945 1HB GLU 118 2HB GLU 118 9.839 1.839 12.412 946 2HB GLU 118 1HB GLU 118 10.731 3.125 13.214 947 1HG GLU 118 2HG GLU 118 8.434 2.421 14.771 948 2HG GLU 118 1HG GLU 118 9.369 0.976 14.388 949 H GLU 119 H GLU 119 9.763 3.500 10.291 950 HA GLU 119 HA GLU 119 11.340 5.881 10.385 951 1HB GLU 119 2HB GLU 119 10.666 4.144 8.009 952 2HB GLU 119 1HB GLU 119 11.952 5.339 8.088 953 1HG GLU 119 2HG GLU 119 12.204 3.467 10.249 954 2HG GLU 119 1HG GLU 119 12.101 2.619 8.706 955 H TYR 120 H TYR 120 8.079 5.462 9.905 956 HA TYR 120 HA TYR 120 7.895 8.071 8.599 957 1HB TYR 120 2HB TYR 120 7.334 5.672 7.270 958 2HB TYR 120 1HB TYR 120 5.761 6.337 7.694 959 HD1 TYR 120 1HD TYR 120 6.195 9.219 7.449 960 HD2 TYR 120 2HD TYR 120 7.604 6.041 4.996 961 HE1 TYR 120 1HE TYR 120 6.338 10.763 5.540 962 HE2 TYR 120 2HE TYR 120 7.753 7.577 3.082 963 HH TYR 120 HH TYR 120 6.834 9.678 2.331 964 H SER 121 H SER 121 7.610 7.461 11.329 965 HA SER 121 HA SER 121 5.217 8.755 11.947 966 1HB SER 121 2HB SER 121 4.594 6.213 11.258 967 2HB SER 121 1HB SER 121 4.898 5.998 12.982 968 HG SER 121 HG SER 121 2.718 6.535 12.571 Start of MODEL 7 1 1H MET 1 1HT MET 1 0.857 -0.607 18.455 2 2H MET 1 2HT MET 1 -0.621 -0.493 19.320 3 3H MET 1 3HT MET 1 -0.091 0.817 18.347 4 HA MET 1 HA MET 1 -0.642 -1.849 17.259 5 1HB MET 1 2HB MET 1 -2.532 -0.442 18.547 6 2HB MET 1 1HB MET 1 -2.609 0.362 16.985 7 1HG MET 1 2HG MET 1 -3.542 -1.410 15.966 8 2HG MET 1 1HG MET 1 -2.604 -2.576 16.897 9 1HE MET 1 1HE MET 1 -5.977 -2.721 16.163 10 2HE MET 1 2HE MET 1 -6.262 -3.696 17.605 11 3HE MET 1 3HE MET 1 -4.808 -3.951 16.641 12 H LYS 2 H LYS 2 -1.085 -1.699 14.946 13 HA LYS 2 HA LYS 2 0.048 0.696 13.672 14 1HB LYS 2 2HB LYS 2 0.680 -2.147 12.865 15 2HB LYS 2 1HB LYS 2 1.305 -0.686 12.113 16 1HG LYS 2 2HG LYS 2 1.817 -0.847 14.985 17 2HG LYS 2 1HG LYS 2 2.567 -2.138 14.044 18 1HD LYS 2 2HD LYS 2 3.568 -0.443 12.562 19 2HD LYS 2 1HD LYS 2 2.854 0.827 13.557 20 1HE LYS 2 2HE LYS 2 4.641 -1.261 14.755 21 2HE LYS 2 1HE LYS 2 5.312 0.165 13.967 22 1HZ LYS 2 1HZ LYS 2 3.229 0.523 16.002 23 2HZ LYS 2 2HZ LYS 2 4.506 1.550 15.578 24 3HZ LYS 2 3HZ LYS 2 4.804 0.168 16.508 25 H ARG 3 H ARG 3 -0.500 0.869 11.357 26 HA ARG 3 HA ARG 3 -2.853 -0.650 10.524 27 1HB ARG 3 2HB ARG 3 -2.916 2.337 10.256 28 2HB ARG 3 1HB ARG 3 -4.249 1.192 10.198 29 1HG ARG 3 2HG ARG 3 -4.560 2.207 12.240 30 2HG ARG 3 1HG ARG 3 -3.656 0.757 12.682 31 1HD ARG 3 2HD ARG 3 -1.781 1.922 13.225 32 2HD ARG 3 1HD ARG 3 -2.081 3.176 12.022 33 HE ARG 3 HE ARG 3 -4.037 3.402 13.995 34 1HH1 ARG 3 1HH1 ARG 3 -0.582 3.764 13.675 35 2HH1 ARG 3 2HH1 ARG 3 -0.464 4.954 14.928 36 1HH2 ARG 3 1HH2 ARG 3 -3.885 4.968 15.643 37 2HH2 ARG 3 2HH2 ARG 3 -2.339 5.637 16.046 38 H VAL 4 H VAL 4 -2.578 -1.296 8.496 39 HA VAL 4 HA VAL 4 -1.039 0.413 6.659 40 HB VAL 4 HB VAL 4 -0.846 -2.601 6.798 41 1HG1 VAL 4 1HG1 VAL 4 0.383 -0.543 4.990 42 2HG1 VAL 4 2HG1 VAL 4 -0.504 -2.005 4.560 43 3HG1 VAL 4 3HG1 VAL 4 1.120 -2.126 5.234 44 1HG2 VAL 4 1HG2 VAL 4 1.225 -0.535 7.551 45 2HG2 VAL 4 2HG2 VAL 4 1.397 -2.287 7.646 46 3HG2 VAL 4 3HG2 VAL 4 0.254 -1.456 8.700 47 H LEU 5 H LEU 5 -1.738 0.441 4.513 48 HA LEU 5 HA LEU 5 -4.382 -0.772 4.090 49 1HB LEU 5 2HB LEU 5 -4.256 1.691 3.977 50 2HB LEU 5 1HB LEU 5 -3.109 1.556 2.657 51 HG LEU 5 HG LEU 5 -4.859 0.418 1.304 52 1HD1 LEU 5 1HD1 LEU 5 -7.100 0.288 2.007 53 2HD1 LEU 5 2HD1 LEU 5 -6.801 1.297 3.421 54 3HD1 LEU 5 3HD1 LEU 5 -6.149 -0.340 3.351 55 1HD2 LEU 5 1HD2 LEU 5 -6.392 2.586 1.314 56 2HD2 LEU 5 2HD2 LEU 5 -4.752 2.597 0.666 57 3HD2 LEU 5 3HD2 LEU 5 -5.061 3.205 2.292 58 H VAL 6 H VAL 6 -4.822 -2.024 2.347 59 HA VAL 6 HA VAL 6 -2.553 -2.698 0.585 60 HB VAL 6 HB VAL 6 -4.822 -4.550 1.313 61 1HG1 VAL 6 1HG1 VAL 6 -3.938 -5.363 -0.653 62 2HG1 VAL 6 2HG1 VAL 6 -2.978 -6.222 0.552 63 3HG1 VAL 6 3HG1 VAL 6 -2.305 -4.815 -0.271 64 1HG2 VAL 6 1HG2 VAL 6 -3.760 -5.277 3.149 65 2HG2 VAL 6 2HG2 VAL 6 -2.942 -3.717 3.095 66 3HG2 VAL 6 3HG2 VAL 6 -2.168 -5.141 2.403 67 H VAL 7 H VAL 7 -2.848 -2.366 -1.528 68 HA VAL 7 HA VAL 7 -5.611 -2.059 -2.513 69 HB VAL 7 HB VAL 7 -3.147 -0.732 -3.660 70 1HG1 VAL 7 1HG1 VAL 7 -5.137 -1.242 -5.163 71 2HG1 VAL 7 2HG1 VAL 7 -4.584 0.431 -5.108 72 3HG1 VAL 7 3HG1 VAL 7 -6.020 -0.054 -4.206 73 1HG2 VAL 7 1HG2 VAL 7 -4.312 -0.056 -1.294 74 2HG2 VAL 7 2HG2 VAL 7 -5.205 0.953 -2.431 75 3HG2 VAL 7 3HG2 VAL 7 -3.447 1.063 -2.348 76 H ASP 8 H ASP 8 -6.206 -3.713 -3.754 77 HA ASP 8 HA ASP 8 -4.286 -4.777 -5.688 78 1HB ASP 8 2HB ASP 8 -3.987 -6.396 -4.039 79 2HB ASP 8 1HB ASP 8 -5.660 -6.317 -3.508 80 H ASP 9 H ASP 9 -5.352 -6.128 -7.356 81 HA ASP 9 HA ASP 9 -7.560 -4.788 -8.454 82 1HB ASP 9 2HB ASP 9 -6.025 -5.843 -9.936 83 2HB ASP 9 1HB ASP 9 -6.231 -7.403 -9.158 84 H GLU 10 H GLU 10 -7.712 -8.307 -8.120 85 HA GLU 10 HA GLU 10 -10.325 -7.982 -6.797 86 1HB GLU 10 2HB GLU 10 -9.725 -9.150 -9.325 87 2HB GLU 10 1HB GLU 10 -10.256 -10.435 -8.250 88 1HG GLU 10 2HG GLU 10 -11.832 -7.912 -8.396 89 2HG GLU 10 1HG GLU 10 -11.973 -9.102 -9.689 90 H GLU 11 H GLU 11 -10.891 -10.670 -6.398 91 HA GLU 11 HA GLU 11 -10.477 -12.477 -5.074 92 1HB GLU 11 2HB GLU 11 -7.617 -11.565 -4.796 93 2HB GLU 11 1HB GLU 11 -8.260 -13.186 -4.585 94 1HG GLU 11 2HG GLU 11 -8.967 -12.700 -7.146 95 2HG GLU 11 1HG GLU 11 -7.477 -11.764 -7.029 96 H SER 12 H SER 12 -11.158 -12.608 -3.047 97 HA SER 12 HA SER 12 -11.386 -10.435 -1.341 98 1HB SER 12 2HB SER 12 -12.839 -12.252 -0.943 99 2HB SER 12 1HB SER 12 -11.508 -13.405 -0.848 100 HG SER 12 HG SER 12 -11.908 -13.068 1.228 101 H ILE 13 H ILE 13 -9.753 -9.302 -0.510 102 HA ILE 13 HA ILE 13 -7.853 -8.722 0.563 103 HB ILE 13 HB ILE 13 -8.046 -11.481 1.682 104 1HG1 ILE 13 2HG1 ILE 13 -10.127 -10.176 1.980 105 2HG1 ILE 13 1HG1 ILE 13 -9.339 -10.558 3.508 106 1HG2 ILE 13 1HG2 ILE 13 -5.923 -10.696 2.259 107 2HG2 ILE 13 2HG2 ILE 13 -6.912 -10.354 3.677 108 3HG2 ILE 13 3HG2 ILE 13 -6.517 -9.060 2.545 109 1HD1 ILE 13 1HD1 ILE 13 -8.291 -8.246 3.350 110 2HD1 ILE 13 2HD1 ILE 13 -10.015 -8.336 3.709 111 3HD1 ILE 13 3HD1 ILE 13 -9.474 -7.931 2.081 112 H THR 14 H THR 14 -5.537 -9.303 0.837 113 HA THR 14 HA THR 14 -4.578 -10.614 -1.576 114 HB THR 14 HB THR 14 -2.391 -9.621 -0.959 115 HG1 THR 14 1HG THR 14 -3.785 -8.418 1.192 116 1HG2 THR 14 1HG2 THR 14 -2.861 -7.407 -1.477 117 2HG2 THR 14 2HG2 THR 14 -4.421 -7.445 -0.657 118 3HG2 THR 14 3HG2 THR 14 -4.209 -8.294 -2.187 119 H SER 15 H SER 15 -4.041 -12.698 -1.526 120 HA SER 15 HA SER 15 -4.039 -14.340 0.670 121 1HB SER 15 2HB SER 15 -2.796 -15.968 -0.719 122 2HB SER 15 1HB SER 15 -4.111 -15.199 -1.609 123 HG SER 15 HG SER 15 -2.678 -14.047 -2.764 124 H SER 16 H SER 16 -2.615 -15.054 2.158 125 HA SER 16 HA SER 16 -0.693 -15.311 3.358 126 1HB SER 16 2HB SER 16 0.834 -13.709 1.317 127 2HB SER 16 1HB SER 16 1.434 -14.958 2.408 128 HG SER 16 HG SER 16 0.479 -15.222 -0.076 129 H LEU 17 H LEU 17 -2.217 -12.455 2.706 130 HA LEU 17 HA LEU 17 -0.423 -10.773 4.263 131 1HB LEU 17 2HB LEU 17 -2.172 -10.256 2.208 132 2HB LEU 17 1HB LEU 17 -3.093 -9.731 3.596 133 HG LEU 17 HG LEU 17 -0.930 -8.406 2.207 134 1HD1 LEU 17 1HD1 LEU 17 -2.766 -7.100 2.474 135 2HD1 LEU 17 2HD1 LEU 17 -1.831 -6.574 3.875 136 3HD1 LEU 17 3HD1 LEU 17 -3.136 -7.745 4.074 137 1HD2 LEU 17 1HD2 LEU 17 -0.004 -7.445 4.429 138 2HD2 LEU 17 2HD2 LEU 17 0.645 -8.963 3.810 139 3HD2 LEU 17 3HD2 LEU 17 -0.535 -8.978 5.120 140 H SER 18 H SER 18 -3.825 -11.825 4.444 141 HA SER 18 HA SER 18 -4.544 -10.791 6.870 142 1HB SER 18 2HB SER 18 -5.732 -12.475 5.106 143 2HB SER 18 1HB SER 18 -5.426 -13.581 6.446 144 HG SER 18 HG SER 18 -6.840 -11.122 6.552 145 H ALA 19 H ALA 19 -3.274 -14.100 6.438 146 HA ALA 19 HA ALA 19 -3.009 -14.808 9.085 147 1HB ALA 19 1HB ALA 19 -1.683 -15.626 6.570 148 2HB ALA 19 2HB ALA 19 -2.556 -16.592 7.761 149 3HB ALA 19 3HB ALA 19 -0.893 -16.095 8.076 150 H ILE 20 H ILE 20 -0.787 -12.947 7.082 151 HA ILE 20 HA ILE 20 1.344 -12.817 8.920 152 HB ILE 20 HB ILE 20 0.551 -11.110 6.571 153 1HG1 ILE 20 2HG1 ILE 20 2.945 -12.884 7.075 154 2HG1 ILE 20 1HG1 ILE 20 1.496 -13.372 6.200 155 1HG2 ILE 20 1HG2 ILE 20 2.622 -10.547 8.626 156 2HG2 ILE 20 2HG2 ILE 20 1.624 -9.436 7.690 157 3HG2 ILE 20 3HG2 ILE 20 3.011 -10.221 6.937 158 1HD1 ILE 20 1HD1 ILE 20 3.548 -11.338 5.403 159 2HD1 ILE 20 2HD1 ILE 20 1.970 -11.462 4.625 160 3HD1 ILE 20 3HD1 ILE 20 3.088 -12.823 4.568 161 H LEU 21 H LEU 21 -0.875 -10.152 8.043 162 HA LEU 21 HA LEU 21 -0.219 -8.435 10.094 163 1HB LEU 21 2HB LEU 21 -2.998 -8.806 8.995 164 2HB LEU 21 1HB LEU 21 -2.322 -7.349 9.703 165 HG LEU 21 HG LEU 21 -0.764 -8.310 7.437 166 1HD1 LEU 21 1HD1 LEU 21 -3.367 -8.809 7.039 167 2HD1 LEU 21 2HD1 LEU 21 -2.260 -8.314 5.759 168 3HD1 LEU 21 3HD1 LEU 21 -3.301 -7.120 6.535 169 1HD2 LEU 21 1HD2 LEU 21 -1.867 -5.775 8.506 170 2HD2 LEU 21 2HD2 LEU 21 -1.449 -5.838 6.793 171 3HD2 LEU 21 3HD2 LEU 21 -0.223 -6.182 8.014 172 H GLU 22 H GLU 22 -2.197 -11.299 10.194 173 HA GLU 22 HA GLU 22 -3.431 -10.762 12.705 174 1HB GLU 22 2HB GLU 22 -3.945 -12.520 10.748 175 2HB GLU 22 1HB GLU 22 -3.056 -13.563 11.847 176 1HG GLU 22 2HG GLU 22 -4.633 -12.821 13.653 177 2HG GLU 22 1HG GLU 22 -5.589 -12.047 12.389 178 H GLU 23 H GLU 23 -0.399 -12.132 11.688 179 HA GLU 23 HA GLU 23 0.192 -13.293 14.264 180 1HB GLU 23 2HB GLU 23 1.139 -14.459 12.449 181 2HB GLU 23 1HB GLU 23 1.704 -12.982 11.681 182 1HG GLU 23 2HG GLU 23 3.636 -13.024 12.776 183 2HG GLU 23 1HG GLU 23 2.859 -13.396 14.314 184 H GLU 24 H GLU 24 0.935 -10.379 12.467 185 HA GLU 24 HA GLU 24 2.863 -9.437 14.385 186 1HB GLU 24 2HB GLU 24 1.581 -8.210 11.959 187 2HB GLU 24 1HB GLU 24 2.644 -7.292 13.017 188 1HG GLU 24 2HG GLU 24 3.596 -9.895 11.940 189 2HG GLU 24 1HG GLU 24 3.558 -8.489 10.874 190 H GLY 25 H GLY 25 -0.513 -8.777 13.589 191 1HA GLY 25 2HA GLY 25 -2.136 -8.110 15.161 192 2HA GLY 25 1HA GLY 25 -0.846 -7.574 16.226 193 H TYR 26 H TYR 26 -1.680 -6.820 12.856 194 HA TYR 26 HA TYR 26 -1.458 -3.965 13.512 195 1HB TYR 26 2HB TYR 26 -1.132 -5.545 10.983 196 2HB TYR 26 1HB TYR 26 -1.479 -3.827 10.905 197 HD1 TYR 26 1HD TYR 26 0.539 -3.121 9.905 198 HD2 TYR 26 2HD TYR 26 0.647 -5.421 13.481 199 HE1 TYR 26 1HE TYR 26 2.931 -2.618 10.145 200 HE2 TYR 26 2HE TYR 26 3.041 -4.925 13.732 201 HH TYR 26 HH TYR 26 4.638 -2.549 11.841 202 H HIS 27 H HIS 27 -2.804 -2.735 11.646 203 HA HIS 27 HA HIS 27 -5.573 -3.729 11.751 204 1HB HIS 27 2HB HIS 27 -4.574 -1.415 13.002 205 2HB HIS 27 1HB HIS 27 -5.416 -0.836 11.570 206 HD1 HIS 27 1HD HIS 27 -7.149 0.221 13.285 207 HD2 HIS 27 2HD HIS 27 -7.036 -3.930 13.176 208 HE1 HIS 27 1HE HIS 27 -9.257 -0.537 14.427 209 HE2 HIS 27 2HE HIS 27 -9.210 -3.051 14.269 210 HA PRO 28 HA PRO 28 -4.290 -2.891 7.431 211 1HB PRO 28 2HB PRO 28 -4.729 -5.314 6.397 212 2HB PRO 28 1HB PRO 28 -3.275 -4.947 7.330 213 1HG PRO 28 2HG PRO 28 -5.726 -6.434 8.144 214 2HG PRO 28 1HG PRO 28 -4.035 -6.723 8.590 215 1HD PRO 28 2HD PRO 28 -5.939 -5.391 10.145 216 2HD PRO 28 1HD PRO 28 -4.184 -5.337 10.386 217 H ASP 29 H ASP 29 -5.424 -2.625 5.558 218 HA ASP 29 HA ASP 29 -8.254 -3.345 5.475 219 1HB ASP 29 2HB ASP 29 -8.210 -1.059 6.373 220 2HB ASP 29 1HB ASP 29 -7.197 -0.539 5.030 221 H THR 30 H THR 30 -8.905 -3.888 3.408 222 HA THR 30 HA THR 30 -6.834 -3.593 1.333 223 HB THR 30 HB THR 30 -7.504 -5.668 0.395 224 HG1 THR 30 1HG THR 30 -9.609 -5.895 0.476 225 1HG2 THR 30 1HG2 THR 30 -6.952 -7.207 2.016 226 2HG2 THR 30 2HG2 THR 30 -7.788 -6.320 3.291 227 3HG2 THR 30 3HG2 THR 30 -6.257 -5.717 2.655 228 H ALA 31 H ALA 31 -7.363 -2.974 -0.701 229 HA ALA 31 HA ALA 31 -10.129 -2.058 -1.142 230 1HB ALA 31 1HB ALA 31 -8.199 -0.319 -0.845 231 2HB ALA 31 2HB ALA 31 -9.403 -0.095 -2.114 232 3HB ALA 31 3HB ALA 31 -7.815 -0.754 -2.511 233 H LYS 32 H LYS 32 -10.120 -1.489 -3.765 234 HA LYS 32 HA LYS 32 -9.298 -4.023 -5.027 235 1HB LYS 32 2HB LYS 32 -11.549 -2.445 -6.176 236 2HB LYS 32 1HB LYS 32 -11.289 -4.183 -6.164 237 1HG LYS 32 2HG LYS 32 -12.036 -4.371 -3.925 238 2HG LYS 32 1HG LYS 32 -12.008 -2.622 -3.702 239 1HD LYS 32 2HD LYS 32 -14.270 -3.102 -4.019 240 2HD LYS 32 1HD LYS 32 -13.733 -2.559 -5.610 241 1HE LYS 32 2HE LYS 32 -13.244 -5.238 -5.742 242 2HE LYS 32 1HE LYS 32 -14.690 -5.188 -4.733 243 1HZ LYS 32 1HZ LYS 32 -15.929 -4.224 -6.407 244 2HZ LYS 32 2HZ LYS 32 -14.948 -5.297 -7.274 245 3HZ LYS 32 3HZ LYS 32 -14.576 -3.647 -7.243 246 H THR 33 H THR 33 -9.221 -0.586 -5.182 247 HA THR 33 HA THR 33 -7.267 -0.621 -7.252 248 HB THR 33 HB THR 33 -8.871 1.095 -8.578 249 HG1 THR 33 1HG THR 33 -10.620 0.511 -7.114 250 1HG2 THR 33 1HG2 THR 33 -7.682 -1.049 -9.375 251 2HG2 THR 33 2HG2 THR 33 -9.090 -0.465 -10.259 252 3HG2 THR 33 3HG2 THR 33 -9.254 -1.811 -9.133 253 H LEU 34 H LEU 34 -6.619 1.671 -7.840 254 HA LEU 34 HA LEU 34 -6.045 3.120 -5.546 255 1HB LEU 34 2HB LEU 34 -6.207 4.178 -8.371 256 2HB LEU 34 1HB LEU 34 -5.348 4.930 -7.039 257 HG LEU 34 HG LEU 34 -4.639 2.146 -7.886 258 1HD1 LEU 34 1HD1 LEU 34 -2.785 3.578 -9.187 259 2HD1 LEU 34 2HD1 LEU 34 -4.180 4.637 -9.396 260 3HD1 LEU 34 3HD1 LEU 34 -4.251 2.964 -9.950 261 1HD2 LEU 34 1HD2 LEU 34 -3.776 3.775 -5.861 262 2HD2 LEU 34 2HD2 LEU 34 -2.563 4.047 -7.113 263 3HD2 LEU 34 3HD2 LEU 34 -2.878 2.412 -6.532 264 H ARG 35 H ARG 35 -8.804 3.308 -7.686 265 HA ARG 35 HA ARG 35 -9.824 5.772 -6.732 266 1HB ARG 35 2HB ARG 35 -12.018 4.901 -7.664 267 2HB ARG 35 1HB ARG 35 -10.683 5.019 -8.803 268 1HG ARG 35 2HG ARG 35 -11.101 2.920 -9.365 269 2HG ARG 35 1HG ARG 35 -10.494 2.445 -7.780 270 1HD ARG 35 2HD ARG 35 -12.544 1.954 -7.009 271 2HD ARG 35 1HD ARG 35 -13.269 3.374 -7.762 272 HE ARG 35 HE ARG 35 -13.152 0.707 -8.833 273 1HH1 ARG 35 1HH1 ARG 35 -13.470 4.095 -9.610 274 2HH1 ARG 35 2HH1 ARG 35 -14.281 3.802 -11.112 275 1HH2 ARG 35 1HH2 ARG 35 -14.218 0.321 -10.808 276 2HH2 ARG 35 2HH2 ARG 35 -14.706 1.660 -11.792 277 H GLU 36 H GLU 36 -10.481 2.393 -5.874 278 HA GLU 36 HA GLU 36 -12.404 2.936 -3.886 279 1HB GLU 36 2HB GLU 36 -10.887 0.619 -4.824 280 2HB GLU 36 1HB GLU 36 -11.176 0.582 -3.090 281 1HG GLU 36 2HG GLU 36 -13.503 1.268 -4.752 282 2HG GLU 36 1HG GLU 36 -12.886 -0.373 -4.932 283 H ALA 37 H ALA 37 -8.896 2.771 -3.861 284 HA ALA 37 HA ALA 37 -8.535 2.785 -1.060 285 1HB ALA 37 1HB ALA 37 -6.337 4.109 -2.093 286 2HB ALA 37 2HB ALA 37 -6.870 3.085 -3.425 287 3HB ALA 37 3HB ALA 37 -6.491 2.368 -1.860 288 H GLU 38 H GLU 38 -8.333 5.465 -3.422 289 HA GLU 38 HA GLU 38 -7.940 7.575 -1.736 290 1HB GLU 38 2HB GLU 38 -9.786 7.528 -4.129 291 2HB GLU 38 1HB GLU 38 -9.126 8.976 -3.383 292 1HG GLU 38 2HG GLU 38 -7.050 8.651 -4.256 293 2HG GLU 38 1HG GLU 38 -7.222 6.897 -4.303 294 H LYS 39 H LYS 39 -11.014 5.982 -2.472 295 HA LYS 39 HA LYS 39 -12.707 7.703 -1.055 296 1HB LYS 39 2HB LYS 39 -13.620 6.022 -2.535 297 2HB LYS 39 1HB LYS 39 -12.917 4.730 -1.573 298 1HG LYS 39 2HG LYS 39 -14.772 6.560 -0.179 299 2HG LYS 39 1HG LYS 39 -15.471 5.471 -1.380 300 1HD LYS 39 2HD LYS 39 -14.629 3.552 -0.240 301 2HD LYS 39 1HD LYS 39 -13.651 4.548 0.839 302 1HE LYS 39 2HE LYS 39 -16.414 5.339 0.971 303 2HE LYS 39 1HE LYS 39 -16.258 3.608 1.266 304 1HZ LYS 39 1HZ LYS 39 -16.004 5.354 3.190 305 2HZ LYS 39 2HZ LYS 39 -14.404 5.406 2.640 306 3HZ LYS 39 3HZ LYS 39 -15.072 3.943 3.160 307 H LYS 40 H LYS 40 -10.944 4.809 -0.018 308 HA LYS 40 HA LYS 40 -11.853 4.915 2.678 309 1HB LYS 40 2HB LYS 40 -9.765 3.391 1.196 310 2HB LYS 40 1HB LYS 40 -9.727 3.398 2.954 311 1HG LYS 40 2HG LYS 40 -12.199 2.666 1.421 312 2HG LYS 40 1HG LYS 40 -10.949 1.483 1.815 313 1HD LYS 40 2HD LYS 40 -11.242 1.885 4.172 314 2HD LYS 40 1HD LYS 40 -12.365 3.207 3.847 315 1HE LYS 40 2HE LYS 40 -14.042 1.758 3.110 316 2HE LYS 40 1HE LYS 40 -12.909 0.432 2.851 317 1HZ LYS 40 1HZ LYS 40 -14.221 1.301 5.296 318 2HZ LYS 40 2HZ LYS 40 -12.612 0.804 5.457 319 3HZ LYS 40 3HZ LYS 40 -13.764 -0.251 4.805 320 H ILE 41 H ILE 41 -8.923 5.998 1.019 321 HA ILE 41 HA ILE 41 -7.604 6.892 3.382 322 HB ILE 41 HB ILE 41 -7.090 7.779 0.544 323 1HG1 ILE 41 2HG1 ILE 41 -5.776 5.520 2.067 324 2HG1 ILE 41 1HG1 ILE 41 -7.045 5.290 0.869 325 1HG2 ILE 41 1HG2 ILE 41 -5.753 8.228 3.127 326 2HG2 ILE 41 2HG2 ILE 41 -5.749 9.205 1.659 327 3HG2 ILE 41 3HG2 ILE 41 -4.693 7.798 1.784 328 1HD1 ILE 41 1HD1 ILE 41 -5.155 6.845 -0.426 329 2HD1 ILE 41 2HD1 ILE 41 -5.431 5.116 -0.636 330 3HD1 ILE 41 3HD1 ILE 41 -4.213 5.682 0.506 331 H LYS 42 H LYS 42 -10.042 8.247 1.363 332 HA LYS 42 HA LYS 42 -9.574 10.982 1.754 333 1HB LYS 42 2HB LYS 42 -11.644 9.335 0.660 334 2HB LYS 42 1HB LYS 42 -12.354 10.611 1.638 335 1HG LYS 42 2HG LYS 42 -11.757 12.232 0.200 336 2HG LYS 42 1HG LYS 42 -10.219 11.461 -0.197 337 1HD LYS 42 2HD LYS 42 -11.571 9.752 -1.495 338 2HD LYS 42 1HD LYS 42 -12.952 10.833 -1.291 339 1HE LYS 42 2HE LYS 42 -11.193 12.602 -2.216 340 2HE LYS 42 1HE LYS 42 -10.511 11.149 -2.947 341 1HZ LYS 42 1HZ LYS 42 -12.921 10.735 -3.704 342 2HZ LYS 42 2HZ LYS 42 -11.997 11.885 -4.532 343 3HZ LYS 42 3HZ LYS 42 -13.148 12.382 -3.396 344 H GLU 43 H GLU 43 -10.718 8.564 3.905 345 HA GLU 43 HA GLU 43 -11.352 10.641 5.881 346 1HB GLU 43 2HB GLU 43 -12.701 7.948 5.653 347 2HB GLU 43 1HB GLU 43 -13.067 9.201 6.831 348 1HG GLU 43 2HG GLU 43 -13.787 10.680 5.007 349 2HG GLU 43 1HG GLU 43 -13.468 9.384 3.854 350 H LEU 44 H LEU 44 -10.592 7.170 5.597 351 HA LEU 44 HA LEU 44 -9.545 6.924 8.206 352 1HB LEU 44 2HB LEU 44 -9.894 5.255 5.890 353 2HB LEU 44 1HB LEU 44 -8.299 4.997 6.567 354 HG LEU 44 HG LEU 44 -9.879 3.399 7.485 355 1HD1 LEU 44 1HD1 LEU 44 -9.386 3.677 9.790 356 2HD1 LEU 44 2HD1 LEU 44 -9.229 5.425 9.614 357 3HD1 LEU 44 3HD1 LEU 44 -8.030 4.354 8.889 358 1HD2 LEU 44 1HD2 LEU 44 -11.951 4.554 7.265 359 2HD2 LEU 44 2HD2 LEU 44 -11.408 5.853 8.328 360 3HD2 LEU 44 3HD2 LEU 44 -11.703 4.242 8.983 361 H PHE 45 H PHE 45 -7.781 7.860 8.978 362 HA PHE 45 HA PHE 45 -5.762 8.961 7.278 363 1HB PHE 45 2HB PHE 45 -6.378 10.040 9.394 364 2HB PHE 45 1HB PHE 45 -5.818 8.629 10.286 365 HD1 PHE 45 1HD PHE 45 -4.420 10.780 7.570 366 HD2 PHE 45 2HD PHE 45 -3.853 8.998 11.393 367 HE1 PHE 45 1HE PHE 45 -2.164 11.756 7.686 368 HE2 PHE 45 2HE PHE 45 -1.597 9.972 11.517 369 HZ PHE 45 HZ PHE 45 -0.750 11.354 9.662 370 H PHE 46 H PHE 46 -5.472 6.695 6.295 371 HA PHE 46 HA PHE 46 -4.084 4.691 7.697 372 1HB PHE 46 2HB PHE 46 -4.425 5.335 4.786 373 2HB PHE 46 1HB PHE 46 -3.330 4.053 5.289 374 HD1 PHE 46 1HD PHE 46 -6.686 4.905 4.521 375 HD2 PHE 46 2HD PHE 46 -4.294 2.203 6.776 376 HE1 PHE 46 1HE PHE 46 -8.577 3.335 4.639 377 HE2 PHE 46 2HE PHE 46 -6.182 0.628 6.897 378 HZ PHE 46 HZ PHE 46 -8.327 1.195 5.829 379 HA PRO 47 HA PRO 47 -0.083 6.685 7.744 380 1HB PRO 47 2HB PRO 47 1.169 4.608 9.106 381 2HB PRO 47 1HB PRO 47 0.330 5.966 9.850 382 1HG PRO 47 2HG PRO 47 -0.435 3.205 9.811 383 2HG PRO 47 1HG PRO 47 -1.246 4.555 10.609 384 1HD PRO 47 2HD PRO 47 -1.931 3.197 8.115 385 2HD PRO 47 1HD PRO 47 -2.904 4.303 9.099 386 H VAL 48 H VAL 48 -0.648 3.417 6.629 387 HA VAL 48 HA VAL 48 1.632 3.698 4.799 388 HB VAL 48 HB VAL 48 0.811 1.067 6.013 389 1HG1 VAL 48 1HG1 VAL 48 2.270 1.546 3.788 390 2HG1 VAL 48 2HG1 VAL 48 2.483 0.134 4.822 391 3HG1 VAL 48 3HG1 VAL 48 3.540 1.534 5.012 392 1HG2 VAL 48 1HG2 VAL 48 1.572 2.615 7.764 393 2HG2 VAL 48 2HG2 VAL 48 3.071 2.865 6.870 394 3HG2 VAL 48 3HG2 VAL 48 2.690 1.272 7.524 395 H ILE 49 H ILE 49 1.302 3.057 2.729 396 HA ILE 49 HA ILE 49 -1.223 1.723 2.045 397 HB ILE 49 HB ILE 49 -0.339 3.950 0.272 398 1HG1 ILE 49 2HG1 ILE 49 -0.357 4.931 2.564 399 2HG1 ILE 49 1HG1 ILE 49 -1.583 5.619 1.505 400 1HG2 ILE 49 1HG2 ILE 49 -2.759 2.360 0.796 401 2HG2 ILE 49 2HG2 ILE 49 -2.128 3.011 -0.717 402 3HG2 ILE 49 3HG2 ILE 49 -3.026 4.055 0.385 403 1HD1 ILE 49 1HD1 ILE 49 -1.885 4.339 4.037 404 2HD1 ILE 49 2HD1 ILE 49 -2.805 3.466 2.813 405 3HD1 ILE 49 3HD1 ILE 49 -3.084 5.190 3.064 406 H VAL 50 H VAL 50 -0.502 -0.139 1.075 407 HA VAL 50 HA VAL 50 1.735 0.112 -0.814 408 HB VAL 50 HB VAL 50 0.725 -2.377 0.570 409 1HG1 VAL 50 1HG1 VAL 50 3.236 -2.953 -0.189 410 2HG1 VAL 50 2HG1 VAL 50 2.775 -1.846 -1.482 411 3HG1 VAL 50 3HG1 VAL 50 1.817 -3.296 -1.179 412 1HG2 VAL 50 1HG2 VAL 50 3.204 -1.964 1.574 413 2HG2 VAL 50 2HG2 VAL 50 1.714 -1.456 2.369 414 3HG2 VAL 50 3HG2 VAL 50 2.635 -0.303 1.402 415 H LEU 51 H LEU 51 1.523 -0.690 -2.879 416 HA LEU 51 HA LEU 51 -1.221 -1.299 -3.714 417 1HB LEU 51 2HB LEU 51 0.098 0.607 -4.747 418 2HB LEU 51 1HB LEU 51 1.109 -0.614 -5.494 419 HG LEU 51 HG LEU 51 -0.899 -1.522 -6.644 420 1HD1 LEU 51 1HD1 LEU 51 -2.825 -0.970 -5.612 421 2HD1 LEU 51 2HD1 LEU 51 -2.746 0.428 -6.683 422 3HD1 LEU 51 3HD1 LEU 51 -2.195 0.565 -5.013 423 1HD2 LEU 51 1HD2 LEU 51 -0.328 1.398 -7.137 424 2HD2 LEU 51 2HD2 LEU 51 -1.065 0.277 -8.282 425 3HD2 LEU 51 3HD2 LEU 51 0.605 0.039 -7.766 426 H ASP 52 H ASP 52 -1.543 -2.900 -5.397 427 HA ASP 52 HA ASP 52 0.496 -4.987 -5.592 428 1HB ASP 52 2HB ASP 52 -1.187 -5.421 -3.670 429 2HB ASP 52 1HB ASP 52 -2.346 -5.745 -4.956 430 H VAL 53 H VAL 53 0.623 -4.087 -7.728 431 HA VAL 53 HA VAL 53 -1.552 -4.023 -9.520 432 HB VAL 53 HB VAL 53 1.382 -4.302 -10.189 433 1HG1 VAL 53 1HG1 VAL 53 0.279 -4.701 -12.182 434 2HG1 VAL 53 2HG1 VAL 53 0.525 -2.955 -12.233 435 3HG1 VAL 53 3HG1 VAL 53 -1.049 -3.610 -11.785 436 1HG2 VAL 53 1HG2 VAL 53 1.695 -2.100 -9.818 437 2HG2 VAL 53 2HG2 VAL 53 0.337 -2.306 -8.711 438 3HG2 VAL 53 3HG2 VAL 53 0.063 -1.672 -10.334 439 H TRP 54 H TRP 54 -2.364 -6.237 -8.772 440 HA TRP 54 HA TRP 54 -1.062 -8.583 -9.715 441 1HB TRP 54 2HB TRP 54 -2.671 -8.748 -7.913 442 2HB TRP 54 1HB TRP 54 -3.939 -8.066 -8.925 443 HD1 TRP 54 HD TRP 54 -5.605 -9.924 -9.466 444 HE1 TRP 54 1HE TRP 54 -5.455 -12.393 -10.175 445 HE3 TRP 54 3HE TRP 54 -0.532 -10.516 -9.276 446 HZ2 TRP 54 2HZ TRP 54 -3.450 -14.337 -10.598 447 HZ3 TRP 54 3HZ TRP 54 0.422 -12.712 -9.846 448 HH2 TRP 54 HH TRP 54 -1.008 -14.581 -10.493 449 H MET 55 H MET 55 -4.291 -7.564 -10.773 450 HA MET 55 HA MET 55 -3.412 -7.577 -13.551 451 1HB MET 55 2HB MET 55 -5.110 -9.135 -14.269 452 2HB MET 55 1HB MET 55 -4.117 -9.896 -13.035 453 1HG MET 55 2HG MET 55 -5.898 -9.260 -11.375 454 2HG MET 55 1HG MET 55 -6.902 -8.811 -12.752 455 1HE MET 55 1HE MET 55 -8.512 -10.797 -11.215 456 2HE MET 55 2HE MET 55 -7.049 -11.053 -10.265 457 3HE MET 55 3HE MET 55 -7.865 -12.426 -11.014 458 HA PRO 56 HA PRO 56 -6.991 -4.664 -12.767 459 1HB PRO 56 2HB PRO 56 -5.978 -2.637 -11.279 460 2HB PRO 56 1HB PRO 56 -6.637 -4.107 -10.560 461 1HG PRO 56 2HG PRO 56 -3.882 -3.194 -10.634 462 2HG PRO 56 1HG PRO 56 -4.579 -4.536 -9.723 463 1HD PRO 56 2HD PRO 56 -3.150 -4.567 -12.293 464 2HD PRO 56 1HD PRO 56 -3.469 -5.892 -11.163 465 H ASP 57 H ASP 57 -6.750 -1.940 -12.874 466 HA ASP 57 HA ASP 57 -5.477 -1.553 -15.467 467 1HB ASP 57 2HB ASP 57 -7.807 -0.810 -15.164 468 2HB ASP 57 1HB ASP 57 -7.287 0.285 -13.887 469 H GLY 58 H GLY 58 -5.503 -0.083 -12.235 470 1HA GLY 58 2HA GLY 58 -4.009 1.294 -11.173 471 2HA GLY 58 1HA GLY 58 -2.789 0.366 -12.027 472 H ASP 59 H ASP 59 -1.412 1.596 -13.094 473 HA ASP 59 HA ASP 59 -0.520 3.282 -14.331 474 1HB ASP 59 2HB ASP 59 -3.339 3.182 -15.317 475 2HB ASP 59 1HB ASP 59 -2.325 4.535 -15.810 476 H GLY 60 H GLY 60 -1.461 3.775 -11.627 477 1HA GLY 60 2HA GLY 60 -2.394 6.548 -11.720 478 2HA GLY 60 1HA GLY 60 -2.282 5.540 -10.286 479 H VAL 61 H VAL 61 -0.051 6.754 -12.794 480 HA VAL 61 HA VAL 61 2.242 6.782 -11.235 481 HB VAL 61 HB VAL 61 1.527 8.657 -13.493 482 1HG1 VAL 61 1HG1 VAL 61 3.980 8.199 -11.931 483 2HG1 VAL 61 2HG1 VAL 61 3.423 9.640 -12.782 484 3HG1 VAL 61 3HG1 VAL 61 4.179 8.323 -13.679 485 1HG2 VAL 61 1HG2 VAL 61 2.712 5.896 -13.455 486 2HG2 VAL 61 2HG2 VAL 61 2.907 6.989 -14.824 487 3HG2 VAL 61 3HG2 VAL 61 1.295 6.469 -14.333 488 H ASN 62 H ASN 62 -0.274 9.218 -11.620 489 HA ASN 62 HA ASN 62 1.130 11.075 -9.877 490 1HB ASN 62 2HB ASN 62 -0.902 11.282 -11.903 491 2HB ASN 62 1HB ASN 62 -1.468 12.038 -10.418 492 1HD2 ASN 62 1HD2 ASN 62 0.866 12.128 -12.974 493 2HD2 ASN 62 2HD2 ASN 62 1.497 13.697 -12.623 494 H PHE 63 H PHE 63 -0.224 8.397 -9.045 495 HA PHE 63 HA PHE 63 -2.270 9.264 -7.214 496 1HB PHE 63 2HB PHE 63 -2.406 7.032 -8.210 497 2HB PHE 63 1HB PHE 63 -0.868 6.593 -7.472 498 HD1 PHE 63 1HD PHE 63 -4.097 8.093 -6.353 499 HD2 PHE 63 2HD PHE 63 -1.034 5.227 -5.638 500 HE1 PHE 63 1HE PHE 63 -5.282 7.338 -4.336 501 HE2 PHE 63 2HE PHE 63 -2.214 4.467 -3.616 502 HZ PHE 63 HZ PHE 63 -4.342 5.526 -2.964 503 H ILE 64 H ILE 64 1.129 8.350 -7.035 504 HA ILE 64 HA ILE 64 1.521 8.109 -4.331 505 HB ILE 64 HB ILE 64 3.381 9.531 -6.242 506 1HG1 ILE 64 2HG1 ILE 64 4.306 6.942 -5.823 507 2HG1 ILE 64 1HG1 ILE 64 2.565 6.742 -5.995 508 1HG2 ILE 64 1HG2 ILE 64 4.979 8.258 -4.479 509 2HG2 ILE 64 2HG2 ILE 64 3.615 8.663 -3.438 510 3HG2 ILE 64 3HG2 ILE 64 4.468 9.937 -4.310 511 1HD1 ILE 64 1HD1 ILE 64 4.275 8.236 -7.965 512 2HD1 ILE 64 2HD1 ILE 64 2.592 7.745 -8.151 513 3HD1 ILE 64 3HD1 ILE 64 3.864 6.527 -8.106 514 H ASP 65 H ASP 65 0.852 10.995 -6.159 515 HA ASP 65 HA ASP 65 1.628 12.830 -4.101 516 1HB ASP 65 2HB ASP 65 1.208 13.134 -6.742 517 2HB ASP 65 1HB ASP 65 -0.360 13.664 -6.142 518 H PHE 66 H PHE 66 -1.374 11.283 -5.119 519 HA PHE 66 HA PHE 66 -3.177 12.750 -3.576 520 1HB PHE 66 2HB PHE 66 -4.017 11.233 -5.232 521 2HB PHE 66 1HB PHE 66 -3.208 9.864 -4.478 522 HD1 PHE 66 1HD PHE 66 -4.038 9.000 -2.296 523 HD2 PHE 66 2HD PHE 66 -6.158 11.934 -4.534 524 HE1 PHE 66 1HE PHE 66 -6.074 8.513 -1.002 525 HE2 PHE 66 2HE PHE 66 -8.197 11.452 -3.243 526 HZ PHE 66 HZ PHE 66 -8.155 9.739 -1.476 527 H ILE 67 H ILE 67 -1.281 9.865 -2.773 528 HA ILE 67 HA ILE 67 -2.300 9.438 -0.201 529 HB ILE 67 HB ILE 67 0.454 8.841 -1.295 530 1HG1 ILE 67 2HG1 ILE 67 -0.696 6.453 -1.124 531 2HG1 ILE 67 1HG1 ILE 67 -2.166 7.410 -1.268 532 1HG2 ILE 67 1HG2 ILE 67 0.955 8.569 0.892 533 2HG2 ILE 67 2HG2 ILE 67 0.126 7.030 0.665 534 3HG2 ILE 67 3HG2 ILE 67 -0.733 8.399 1.370 535 1HD1 ILE 67 1HD1 ILE 67 -0.186 8.170 -3.234 536 2HD1 ILE 67 2HD1 ILE 67 -1.867 7.684 -3.448 537 3HD1 ILE 67 3HD1 ILE 67 -0.604 6.459 -3.332 538 H LYS 68 H LYS 68 0.365 11.470 -1.343 539 HA LYS 68 HA LYS 68 1.063 12.352 1.304 540 1HB LYS 68 2HB LYS 68 1.842 13.501 -1.383 541 2HB LYS 68 1HB LYS 68 2.590 13.891 0.160 542 1HG LYS 68 2HG LYS 68 2.545 11.033 -0.521 543 2HG LYS 68 1HG LYS 68 3.534 12.051 -1.571 544 1HD LYS 68 2HD LYS 68 4.859 12.798 0.238 545 2HD LYS 68 1HD LYS 68 3.723 12.160 1.429 546 1HE LYS 68 2HE LYS 68 4.851 10.201 -0.465 547 2HE LYS 68 1HE LYS 68 5.986 10.899 0.689 548 1HZ LYS 68 1HZ LYS 68 3.955 10.309 2.296 549 2HZ LYS 68 2HZ LYS 68 5.225 9.237 1.976 550 3HZ LYS 68 3HZ LYS 68 3.762 9.089 1.141 551 H GLU 69 H GLU 69 -1.137 13.331 -1.175 552 HA GLU 69 HA GLU 69 -1.480 16.035 -0.459 553 1HB GLU 69 2HB GLU 69 -2.261 14.865 -2.578 554 2HB GLU 69 1HB GLU 69 -3.612 14.262 -1.627 555 1HG GLU 69 2HG GLU 69 -3.637 16.959 -1.096 556 2HG GLU 69 1HG GLU 69 -3.171 16.886 -2.795 557 H ASN 70 H ASN 70 -3.072 13.065 0.586 558 HA ASN 70 HA ASN 70 -4.391 14.600 2.728 559 1HB ASN 70 2HB ASN 70 -5.387 11.931 1.776 560 2HB ASN 70 1HB ASN 70 -6.263 13.198 2.629 561 1HD2 ASN 70 1HD2 ASN 70 -4.627 12.520 -0.432 562 2HD2 ASN 70 2HD2 ASN 70 -5.682 13.473 -1.410 563 H SER 71 H SER 71 -1.741 12.954 2.396 564 HA SER 71 HA SER 71 -1.681 12.039 5.094 565 1HB SER 71 2HB SER 71 -2.323 10.119 2.993 566 2HB SER 71 1HB SER 71 -0.880 9.662 3.897 567 HG SER 71 HG SER 71 -2.405 8.875 5.168 568 HA PRO 72 HA PRO 72 2.333 13.288 3.049 569 1HB PRO 72 2HB PRO 72 2.539 15.121 5.323 570 2HB PRO 72 1HB PRO 72 2.649 15.470 3.596 571 1HG PRO 72 2HG PRO 72 0.541 16.241 5.095 572 2HG PRO 72 1HG PRO 72 0.384 15.802 3.384 573 1HD PRO 72 2HD PRO 72 -0.273 14.196 5.823 574 2HD PRO 72 1HD PRO 72 -1.160 14.333 4.289 575 H ASP 73 H ASP 73 1.300 12.351 6.169 576 HA ASP 73 HA ASP 73 4.017 11.586 6.953 577 1HB ASP 73 2HB ASP 73 1.951 12.770 8.391 578 2HB ASP 73 1HB ASP 73 2.005 11.108 8.969 579 H SER 74 H SER 74 2.390 10.148 4.965 580 HA SER 74 HA SER 74 2.046 7.588 6.374 581 1HB SER 74 2HB SER 74 -0.019 8.368 5.331 582 2HB SER 74 1HB SER 74 0.804 8.526 3.778 583 HG SER 74 HG SER 74 -0.334 6.357 4.864 584 H VAL 75 H VAL 75 2.196 5.746 4.477 585 HA VAL 75 HA VAL 75 4.776 6.198 3.127 586 HB VAL 75 HB VAL 75 3.912 3.626 4.469 587 1HG1 VAL 75 1HG1 VAL 75 5.888 4.197 2.465 588 2HG1 VAL 75 2HG1 VAL 75 5.454 2.652 3.191 589 3HG1 VAL 75 3HG1 VAL 75 6.681 3.667 3.947 590 1HG2 VAL 75 1HG2 VAL 75 4.531 4.764 6.318 591 2HG2 VAL 75 2HG2 VAL 75 5.462 5.953 5.408 592 3HG2 VAL 75 3HG2 VAL 75 6.157 4.371 5.761 593 H VAL 76 H VAL 76 5.041 5.297 1.110 594 HA VAL 76 HA VAL 76 2.705 3.917 -0.042 595 HB VAL 76 HB VAL 76 4.414 5.786 -1.662 596 1HG1 VAL 76 1HG1 VAL 76 2.598 3.956 -2.439 597 2HG1 VAL 76 2HG1 VAL 76 2.937 5.441 -3.330 598 3HG1 VAL 76 3HG1 VAL 76 1.556 5.365 -2.235 599 1HG2 VAL 76 1HG2 VAL 76 2.297 6.469 0.279 600 2HG2 VAL 76 2HG2 VAL 76 2.189 7.248 -1.300 601 3HG2 VAL 76 3HG2 VAL 76 3.644 7.436 -0.323 602 H ILE 77 H ILE 77 3.577 1.875 0.007 603 HA ILE 77 HA ILE 77 6.263 1.330 -0.813 604 HB ILE 77 HB ILE 77 3.966 -0.601 -0.471 605 1HG1 ILE 77 2HG1 ILE 77 4.383 0.646 1.583 606 2HG1 ILE 77 1HG1 ILE 77 4.943 -1.014 1.762 607 1HG2 ILE 77 1HG2 ILE 77 5.852 -1.472 -1.804 608 2HG2 ILE 77 2HG2 ILE 77 5.660 -2.313 -0.266 609 3HG2 ILE 77 3HG2 ILE 77 6.937 -1.114 -0.460 610 1HD1 ILE 77 1HD1 ILE 77 7.188 0.259 0.872 611 2HD1 ILE 77 2HD1 ILE 77 6.807 -0.091 2.558 612 3HD1 ILE 77 3HD1 ILE 77 6.425 1.491 1.878 613 H VAL 78 H VAL 78 3.192 0.174 -2.231 614 HA VAL 78 HA VAL 78 2.554 -0.162 -4.395 615 HB VAL 78 HB VAL 78 4.956 1.434 -5.274 616 1HG1 VAL 78 1HG1 VAL 78 2.236 1.026 -6.515 617 2HG1 VAL 78 2HG1 VAL 78 3.730 0.237 -7.023 618 3HG1 VAL 78 3HG1 VAL 78 3.554 1.984 -7.190 619 1HG2 VAL 78 1HG2 VAL 78 2.511 2.310 -3.877 620 2HG2 VAL 78 2HG2 VAL 78 2.960 3.245 -5.304 621 3HG2 VAL 78 3HG2 VAL 78 4.101 3.068 -3.971 622 H ILE 79 H ILE 79 3.003 -2.370 -4.253 623 HA ILE 79 HA ILE 79 5.596 -3.253 -5.329 624 HB ILE 79 HB ILE 79 3.655 -5.188 -4.151 625 1HG1 ILE 79 2HG1 ILE 79 5.474 -3.489 -2.443 626 2HG1 ILE 79 1HG1 ILE 79 3.741 -3.229 -2.591 627 1HG2 ILE 79 1HG2 ILE 79 5.499 -6.343 -4.809 628 2HG2 ILE 79 2HG2 ILE 79 6.016 -5.903 -3.183 629 3HG2 ILE 79 3HG2 ILE 79 6.581 -4.971 -4.569 630 1HD1 ILE 79 1HD1 ILE 79 3.294 -4.813 -1.108 631 2HD1 ILE 79 2HD1 ILE 79 5.019 -4.823 -0.739 632 3HD1 ILE 79 3HD1 ILE 79 4.360 -5.967 -1.910 633 H THR 80 H THR 80 5.307 -5.485 -6.530 634 HA THR 80 HA THR 80 4.488 -6.670 -8.295 635 HB THR 80 HB THR 80 1.921 -5.243 -8.538 636 HG1 THR 80 1HG THR 80 2.517 -6.688 -6.172 637 1HG2 THR 80 1HG2 THR 80 1.164 -7.687 -8.043 638 2HG2 THR 80 2HG2 THR 80 2.845 -8.063 -8.421 639 3HG2 THR 80 3HG2 THR 80 1.833 -7.250 -9.614 640 H GLY 81 H GLY 81 5.245 -6.315 -10.265 641 1HA GLY 81 2HA GLY 81 4.303 -4.242 -11.959 642 2HA GLY 81 1HA GLY 81 5.881 -3.823 -11.309 643 H HIS 82 H HIS 82 5.079 -4.378 -14.075 644 HA HIS 82 HA HIS 82 6.962 -6.579 -14.598 645 1HB HIS 82 2HB HIS 82 4.287 -6.053 -15.875 646 2HB HIS 82 1HB HIS 82 5.529 -6.991 -16.697 647 HD1 HIS 82 1HD HIS 82 6.543 -8.583 -14.205 648 HD2 HIS 82 2HD HIS 82 2.558 -8.094 -15.276 649 HE1 HIS 82 1HE HIS 82 5.322 -10.511 -13.148 650 HE2 HIS 82 2HE HIS 82 2.903 -10.161 -13.759 651 H GLY 83 H GLY 83 7.399 -6.485 -17.174 652 1HA GLY 83 2HA GLY 83 8.084 -5.202 -19.006 653 2HA GLY 83 1HA GLY 83 7.693 -3.746 -18.103 654 H SER 84 H SER 84 9.554 -2.617 -18.310 655 HA SER 84 HA SER 84 12.080 -3.936 -17.637 656 1HB SER 84 2HB SER 84 11.522 -1.231 -18.875 657 2HB SER 84 1HB SER 84 13.132 -1.867 -18.539 658 HG SER 84 HG SER 84 11.212 -3.113 -20.219 659 H VAL 85 H VAL 85 10.066 -3.247 -15.618 660 HA VAL 85 HA VAL 85 9.945 -2.363 -13.525 661 HB VAL 85 HB VAL 85 12.911 -1.863 -13.748 662 1HG1 VAL 85 1HG1 VAL 85 10.938 -2.019 -11.532 663 2HG1 VAL 85 2HG1 VAL 85 12.328 -0.953 -11.739 664 3HG1 VAL 85 3HG1 VAL 85 12.567 -2.626 -11.238 665 1HG2 VAL 85 1HG2 VAL 85 11.406 -4.395 -13.616 666 2HG2 VAL 85 2HG2 VAL 85 12.759 -4.244 -12.494 667 3HG2 VAL 85 3HG2 VAL 85 13.027 -4.067 -14.228 668 H ASP 86 H ASP 86 9.638 -0.603 -15.845 669 HA ASP 86 HA ASP 86 10.817 1.925 -15.105 670 1HB ASP 86 2HB ASP 86 10.431 1.354 -17.470 671 2HB ASP 86 1HB ASP 86 8.697 1.295 -17.171 672 H THR 87 H THR 87 7.750 0.284 -14.664 673 HA THR 87 HA THR 87 6.223 2.530 -13.904 674 HB THR 87 HB THR 87 5.426 0.134 -14.453 675 HG1 THR 87 1HG THR 87 4.095 1.882 -13.667 676 1HG2 THR 87 1HG2 THR 87 6.850 -0.734 -12.397 677 2HG2 THR 87 2HG2 THR 87 5.335 -1.496 -12.882 678 3HG2 THR 87 3HG2 THR 87 5.357 -0.359 -11.534 679 H ALA 88 H ALA 88 8.437 0.446 -12.186 680 HA ALA 88 HA ALA 88 7.854 1.209 -9.553 681 1HB ALA 88 1HB ALA 88 10.507 0.395 -10.741 682 2HB ALA 88 2HB ALA 88 9.279 -0.701 -10.103 683 3HB ALA 88 3HB ALA 88 10.110 0.419 -9.022 684 H VAL 89 H VAL 89 10.482 2.349 -11.659 685 HA VAL 89 HA VAL 89 11.219 4.506 -10.005 686 HB VAL 89 HB VAL 89 12.604 5.265 -11.809 687 1HG1 VAL 89 1HG1 VAL 89 13.284 3.193 -10.669 688 2HG1 VAL 89 2HG1 VAL 89 13.857 3.262 -12.334 689 3HG1 VAL 89 3HG1 VAL 89 12.470 2.256 -11.921 690 1HG2 VAL 89 1HG2 VAL 89 11.969 5.213 -13.937 691 2HG2 VAL 89 2HG2 VAL 89 10.510 4.347 -13.466 692 3HG2 VAL 89 3HG2 VAL 89 11.956 3.449 -13.920 693 H LYS 90 H LYS 90 8.692 4.109 -12.322 694 HA LYS 90 HA LYS 90 8.281 6.922 -12.783 695 1HB LYS 90 2HB LYS 90 7.723 5.370 -14.543 696 2HB LYS 90 1HB LYS 90 6.647 4.479 -13.478 697 1HG LYS 90 2HG LYS 90 5.118 6.344 -13.393 698 2HG LYS 90 1HG LYS 90 6.225 7.329 -14.353 699 1HD LYS 90 2HD LYS 90 4.559 6.528 -15.842 700 2HD LYS 90 1HD LYS 90 6.019 5.591 -16.165 701 1HE LYS 90 2HE LYS 90 4.936 3.976 -14.370 702 2HE LYS 90 1HE LYS 90 3.452 4.754 -14.920 703 1HZ LYS 90 1HZ LYS 90 3.935 4.080 -17.163 704 2HZ LYS 90 2HZ LYS 90 3.976 2.720 -16.158 705 3HZ LYS 90 3HZ LYS 90 5.421 3.416 -16.697 706 H ALA 91 H ALA 91 7.590 4.879 -10.219 707 HA ALA 91 HA ALA 91 5.370 6.615 -9.363 708 1HB ALA 91 1HB ALA 91 4.893 4.434 -7.896 709 2HB ALA 91 2HB ALA 91 5.642 3.672 -9.300 710 3HB ALA 91 3HB ALA 91 4.207 4.678 -9.502 711 H ILE 92 H ILE 92 8.173 4.716 -8.325 712 HA ILE 92 HA ILE 92 8.053 5.539 -5.610 713 HB ILE 92 HB ILE 92 10.079 4.433 -5.264 714 1HG1 ILE 92 2HG1 ILE 92 10.660 4.857 -8.206 715 2HG1 ILE 92 1HG1 ILE 92 11.491 5.601 -6.846 716 1HG2 ILE 92 1HG2 ILE 92 9.705 2.629 -7.429 717 2HG2 ILE 92 2HG2 ILE 92 8.124 3.224 -6.930 718 3HG2 ILE 92 3HG2 ILE 92 9.190 2.460 -5.753 719 1HD1 ILE 92 1HD1 ILE 92 12.989 3.978 -7.055 720 2HD1 ILE 92 2HD1 ILE 92 11.943 3.046 -8.127 721 3HD1 ILE 92 3HD1 ILE 92 11.771 2.897 -6.378 722 H LYS 93 H LYS 93 9.804 6.731 -8.436 723 HA LYS 93 HA LYS 93 11.472 8.576 -7.190 724 1HB LYS 93 2HB LYS 93 10.181 8.561 -9.912 725 2HB LYS 93 1HB LYS 93 11.291 9.829 -9.413 726 1HG LYS 93 2HG LYS 93 12.231 7.058 -9.044 727 2HG LYS 93 1HG LYS 93 12.055 7.616 -10.710 728 1HD LYS 93 2HD LYS 93 13.308 9.741 -9.589 729 2HD LYS 93 1HD LYS 93 13.983 8.419 -8.635 730 1HE LYS 93 2HE LYS 93 15.448 8.218 -10.319 731 2HE LYS 93 1HE LYS 93 14.127 7.408 -11.161 732 1HZ LYS 93 1HZ LYS 93 15.134 9.147 -12.513 733 2HZ LYS 93 2HZ LYS 93 14.754 10.306 -11.341 734 3HZ LYS 93 3HZ LYS 93 13.516 9.507 -12.171 735 H LYS 94 H LYS 94 8.058 8.674 -7.755 736 HA LYS 94 HA LYS 94 7.675 11.467 -7.567 737 1HB LYS 94 2HB LYS 94 6.084 9.437 -8.257 738 2HB LYS 94 1HB LYS 94 5.549 9.655 -6.597 739 1HG LYS 94 2HG LYS 94 4.123 11.111 -7.543 740 2HG LYS 94 1HG LYS 94 5.502 12.207 -7.427 741 1HD LYS 94 2HD LYS 94 6.001 10.959 -9.794 742 2HD LYS 94 1HD LYS 94 4.237 11.002 -9.787 743 1HE LYS 94 2HE LYS 94 4.715 13.021 -10.769 744 2HE LYS 94 1HE LYS 94 4.600 13.492 -9.074 745 1HZ LYS 94 1HZ LYS 94 6.655 14.119 -10.637 746 2HZ LYS 94 2HZ LYS 94 7.232 12.669 -9.985 747 3HZ LYS 94 3HZ LYS 94 6.787 13.941 -8.960 748 H GLY 95 H GLY 95 8.386 9.073 -5.210 749 1HA GLY 95 2HA GLY 95 9.159 10.333 -3.104 750 2HA GLY 95 1HA GLY 95 7.483 10.852 -3.044 751 H ALA 96 H ALA 96 7.292 7.828 -4.255 752 HA ALA 96 HA ALA 96 6.142 6.694 -1.994 753 1HB ALA 96 1HB ALA 96 5.687 4.943 -3.328 754 2HB ALA 96 2HB ALA 96 7.360 4.781 -3.862 755 3HB ALA 96 3HB ALA 96 6.309 5.987 -4.604 756 H TYR 97 H TYR 97 7.189 4.189 -1.618 757 HA TYR 97 HA TYR 97 9.715 4.802 -0.247 758 1HB TYR 97 2HB TYR 97 7.670 4.120 1.095 759 2HB TYR 97 1HB TYR 97 7.845 2.523 0.376 760 HD1 TYR 97 1HD TYR 97 9.425 0.977 1.213 761 HD2 TYR 97 2HD TYR 97 9.520 5.019 2.535 762 HE1 TYR 97 1HE TYR 97 11.029 0.357 2.971 763 HE2 TYR 97 2HE TYR 97 11.126 4.412 4.297 764 HH TYR 97 HH TYR 97 11.782 2.367 5.565 765 H GLU 98 H GLU 98 9.365 3.929 -3.050 766 HA GLU 98 HA GLU 98 10.663 2.724 -4.492 767 1HB GLU 98 2HB GLU 98 12.603 1.820 -3.775 768 2HB GLU 98 1HB GLU 98 12.173 2.576 -2.250 769 1HG GLU 98 2HG GLU 98 12.664 0.495 -1.503 770 2HG GLU 98 1HG GLU 98 10.955 0.259 -1.859 771 H PHE 99 H PHE 99 10.559 0.715 -5.586 772 HA PHE 99 HA PHE 99 8.102 -0.679 -5.130 773 1HB PHE 99 2HB PHE 99 10.028 -0.409 -7.262 774 2HB PHE 99 1HB PHE 99 9.611 -2.103 -7.031 775 HD1 PHE 99 1HD PHE 99 8.250 -2.625 -8.833 776 HD2 PHE 99 2HD PHE 99 7.493 0.921 -6.604 777 HE1 PHE 99 1HE PHE 99 6.167 -2.281 -10.095 778 HE2 PHE 99 2HE PHE 99 5.408 1.270 -7.864 779 HZ PHE 99 HZ PHE 99 4.742 -0.333 -9.610 780 H LEU 100 H LEU 100 8.030 -1.979 -3.393 781 HA LEU 100 HA LEU 100 10.267 -3.583 -2.570 782 1HB LEU 100 2HB LEU 100 8.649 -2.497 -1.028 783 2HB LEU 100 1HB LEU 100 7.408 -3.582 -1.618 784 HG LEU 100 HG LEU 100 8.410 -5.460 -0.604 785 1HD1 LEU 100 1HD1 LEU 100 10.657 -5.501 -0.899 786 2HD1 LEU 100 2HD1 LEU 100 10.639 -4.873 0.749 787 3HD1 LEU 100 3HD1 LEU 100 10.838 -3.771 -0.613 788 1HD2 LEU 100 1HD2 LEU 100 8.459 -3.005 1.113 789 2HD2 LEU 100 2HD2 LEU 100 8.768 -4.610 1.774 790 3HD2 LEU 100 3HD2 LEU 100 7.220 -4.257 1.006 791 H GLU 101 H GLU 101 9.862 -4.420 -5.076 792 HA GLU 101 HA GLU 101 8.433 -6.980 -4.774 793 1HB GLU 101 2HB GLU 101 8.058 -6.930 -7.217 794 2HB GLU 101 1HB GLU 101 7.282 -5.588 -6.386 795 1HG GLU 101 2HG GLU 101 8.463 -4.069 -7.503 796 2HG GLU 101 1HG GLU 101 9.971 -4.958 -7.300 797 H LYS 102 H LYS 102 9.533 -8.804 -5.155 798 HA LYS 102 HA LYS 102 11.612 -9.211 -6.928 799 1HB LYS 102 2HB LYS 102 12.487 -7.726 -4.674 800 2HB LYS 102 1HB LYS 102 13.157 -9.345 -4.517 801 1HG LYS 102 2HG LYS 102 14.102 -9.160 -6.775 802 2HG LYS 102 1HG LYS 102 13.459 -7.521 -6.895 803 1HD LYS 102 2HD LYS 102 14.961 -6.676 -5.363 804 2HD LYS 102 1HD LYS 102 15.204 -8.239 -4.582 805 1HE LYS 102 2HE LYS 102 16.089 -7.757 -7.406 806 2HE LYS 102 1HE LYS 102 17.099 -7.283 -6.041 807 1HZ LYS 102 1HZ LYS 102 17.221 -9.673 -7.170 808 2HZ LYS 102 2HZ LYS 102 16.053 -9.996 -5.990 809 3HZ LYS 102 3HZ LYS 102 17.576 -9.412 -5.537 810 HA PRO 103 HA PRO 103 11.472 -12.898 -3.921 811 1HB PRO 103 2HB PRO 103 10.594 -12.642 -1.418 812 2HB PRO 103 1HB PRO 103 12.207 -12.079 -1.878 813 1HG PRO 103 2HG PRO 103 9.695 -10.506 -1.470 814 2HG PRO 103 1HG PRO 103 11.353 -10.115 -0.980 815 1HD PRO 103 2HD PRO 103 10.096 -9.127 -3.241 816 2HD PRO 103 1HD PRO 103 11.852 -9.204 -3.009 817 H PHE 104 H PHE 104 8.896 -11.046 -4.763 818 HA PHE 104 HA PHE 104 6.702 -11.458 -5.186 819 1HB PHE 104 2HB PHE 104 8.005 -14.032 -5.308 820 2HB PHE 104 1HB PHE 104 6.359 -14.206 -4.712 821 HD1 PHE 104 1HD PHE 104 7.828 -11.878 -7.220 822 HD2 PHE 104 2HD PHE 104 5.081 -15.032 -6.440 823 HE1 PHE 104 1HE PHE 104 6.981 -11.704 -9.523 824 HE2 PHE 104 2HE PHE 104 4.229 -14.865 -8.742 825 HZ PHE 104 HZ PHE 104 5.179 -13.198 -10.287 826 H SER 105 H SER 105 4.652 -12.472 -4.171 827 HA SER 105 HA SER 105 3.230 -12.532 -2.395 828 1HB SER 105 2HB SER 105 5.566 -13.471 -0.729 829 2HB SER 105 1HB SER 105 3.855 -13.843 -0.514 830 HG SER 105 HG SER 105 4.704 -15.603 -1.497 831 H VAL 106 H VAL 106 3.547 -12.011 0.312 832 HA VAL 106 HA VAL 106 4.525 -9.230 0.274 833 HB VAL 106 HB VAL 106 2.805 -8.574 1.775 834 1HG1 VAL 106 1HG1 VAL 106 1.820 -10.280 -0.490 835 2HG1 VAL 106 2HG1 VAL 106 1.996 -8.526 -0.424 836 3HG1 VAL 106 3HG1 VAL 106 0.724 -9.321 0.505 837 1HG2 VAL 106 1HG2 VAL 106 1.059 -10.643 2.177 838 2HG2 VAL 106 2HG2 VAL 106 2.239 -10.056 3.349 839 3HG2 VAL 106 3HG2 VAL 106 2.626 -11.438 2.324 840 H GLU 107 H GLU 107 4.963 -12.288 1.688 841 HA GLU 107 HA GLU 107 5.525 -11.973 4.301 842 1HB GLU 107 2HB GLU 107 5.918 -13.998 2.787 843 2HB GLU 107 1HB GLU 107 7.517 -13.322 2.502 844 1HG GLU 107 2HG GLU 107 7.584 -13.258 5.129 845 2HG GLU 107 1HG GLU 107 6.372 -14.528 4.958 846 H ARG 108 H ARG 108 7.785 -11.114 1.678 847 HA ARG 108 HA ARG 108 9.768 -10.044 3.398 848 1HB ARG 108 2HB ARG 108 9.808 -10.713 0.822 849 2HB ARG 108 1HB ARG 108 9.460 -9.001 0.620 850 1HG ARG 108 2HG ARG 108 11.617 -9.464 2.502 851 2HG ARG 108 1HG ARG 108 11.952 -10.153 0.912 852 1HD ARG 108 2HD ARG 108 10.824 -7.588 0.505 853 2HD ARG 108 1HD ARG 108 12.064 -7.428 1.748 854 HE ARG 108 HE ARG 108 12.905 -8.938 -0.551 855 1HH1 ARG 108 1HH1 ARG 108 12.613 -5.749 0.835 856 2HH1 ARG 108 2HH1 ARG 108 13.864 -5.070 -0.153 857 1HH2 ARG 108 1HH2 ARG 108 14.548 -8.048 -1.850 858 2HH2 ARG 108 2HH2 ARG 108 14.963 -6.374 -1.677 859 H PHE 109 H PHE 109 6.950 -8.741 1.796 860 HA PHE 109 HA PHE 109 7.388 -6.009 2.173 861 1HB PHE 109 2HB PHE 109 5.543 -6.129 0.893 862 2HB PHE 109 1HB PHE 109 5.180 -7.754 1.442 863 HD1 PHE 109 1HD PHE 109 4.170 -4.371 1.466 864 HD2 PHE 109 2HD PHE 109 4.017 -7.958 3.750 865 HE1 PHE 109 1HE PHE 109 2.218 -3.506 2.689 866 HE2 PHE 109 2HE PHE 109 2.066 -7.100 4.977 867 HZ PHE 109 HZ PHE 109 1.163 -4.871 4.446 868 H LEU 110 H LEU 110 6.551 -8.506 4.391 869 HA LEU 110 HA LEU 110 5.303 -7.065 6.434 870 1HB LEU 110 2HB LEU 110 5.922 -9.637 6.048 871 2HB LEU 110 1HB LEU 110 7.168 -9.206 7.202 872 HG LEU 110 HG LEU 110 4.215 -8.803 7.656 873 1HD1 LEU 110 1HD1 LEU 110 4.496 -10.687 9.260 874 2HD1 LEU 110 2HD1 LEU 110 6.086 -10.978 8.555 875 3HD1 LEU 110 3HD1 LEU 110 4.638 -11.144 7.562 876 1HD2 LEU 110 1HD2 LEU 110 6.658 -8.077 9.131 877 2HD2 LEU 110 2HD2 LEU 110 5.377 -8.816 10.090 878 3HD2 LEU 110 3HD2 LEU 110 5.051 -7.351 9.164 879 H LEU 111 H LEU 111 8.722 -7.842 5.946 880 HA LEU 111 HA LEU 111 9.756 -6.648 8.229 881 1HB LEU 111 2HB LEU 111 11.008 -6.932 5.501 882 2HB LEU 111 1HB LEU 111 11.883 -6.492 6.956 883 HG LEU 111 HG LEU 111 10.824 -8.772 7.834 884 1HD1 LEU 111 1HD1 LEU 111 10.570 -8.864 4.892 885 2HD1 LEU 111 2HD1 LEU 111 9.643 -9.695 6.142 886 3HD1 LEU 111 3HD1 LEU 111 11.234 -10.298 5.676 887 1HD2 LEU 111 1HD2 LEU 111 13.268 -7.989 7.453 888 2HD2 LEU 111 2HD2 LEU 111 13.174 -8.981 5.998 889 3HD2 LEU 111 3HD2 LEU 111 12.921 -9.713 7.582 890 H THR 112 H THR 112 9.573 -5.227 4.955 891 HA THR 112 HA THR 112 10.543 -2.715 5.574 892 HB THR 112 HB THR 112 8.398 -3.397 3.556 893 HG1 THR 112 1HG THR 112 10.211 -4.621 3.160 894 1HG2 THR 112 1HG2 THR 112 10.155 -1.403 2.617 895 2HG2 THR 112 2HG2 THR 112 9.573 -0.895 4.203 896 3HG2 THR 112 3HG2 THR 112 8.423 -1.285 2.924 897 H ILE 113 H ILE 113 7.103 -3.630 5.345 898 HA ILE 113 HA ILE 113 5.744 -1.451 5.960 899 HB ILE 113 HB ILE 113 5.383 -4.215 7.060 900 1HG1 ILE 113 2HG1 ILE 113 4.846 -3.831 4.718 901 2HG1 ILE 113 1HG1 ILE 113 3.370 -4.134 5.628 902 1HG2 ILE 113 1HG2 ILE 113 3.692 -1.817 7.724 903 2HG2 ILE 113 2HG2 ILE 113 4.513 -2.902 8.845 904 3HG2 ILE 113 3HG2 ILE 113 3.138 -3.481 7.903 905 1HD1 ILE 113 1HD1 ILE 113 3.168 -1.584 5.760 906 2HD1 ILE 113 2HD1 ILE 113 2.819 -2.373 4.223 907 3HD1 ILE 113 3HD1 ILE 113 4.368 -1.565 4.469 908 H LYS 114 H LYS 114 6.987 -3.436 8.666 909 HA LYS 114 HA LYS 114 6.440 -1.668 10.712 910 1HB LYS 114 2HB LYS 114 7.536 -4.053 10.717 911 2HB LYS 114 1HB LYS 114 9.038 -3.141 10.730 912 1HG LYS 114 2HG LYS 114 6.948 -2.430 12.715 913 2HG LYS 114 1HG LYS 114 7.868 -3.916 12.957 914 1HD LYS 114 2HD LYS 114 9.520 -2.711 13.827 915 2HD LYS 114 1HD LYS 114 9.734 -1.923 12.263 916 1HE LYS 114 2HE LYS 114 9.226 -0.031 13.341 917 2HE LYS 114 1HE LYS 114 7.562 -0.610 13.296 918 1HZ LYS 114 1HZ LYS 114 8.336 0.083 15.530 919 2HZ LYS 114 2HZ LYS 114 9.455 -1.185 15.509 920 3HZ LYS 114 3HZ LYS 114 7.797 -1.519 15.473 921 H HIS 115 H HIS 115 9.516 -2.004 9.008 922 HA HIS 115 HA HIS 115 10.819 0.221 10.003 923 1HB HIS 115 2HB HIS 115 11.527 -1.692 8.291 924 2HB HIS 115 1HB HIS 115 11.224 -0.400 7.134 925 HD1 HIS 115 1HD HIS 115 13.007 1.352 6.883 926 HD2 HIS 115 2HD HIS 115 13.600 -1.072 10.205 927 HE1 HIS 115 1HE HIS 115 15.283 1.960 7.761 928 HE2 HIS 115 2HE HIS 115 15.654 0.424 9.723 929 H ALA 116 H ALA 116 8.287 0.028 7.610 930 HA ALA 116 HA ALA 116 8.651 2.625 6.495 931 1HB ALA 116 1HB ALA 116 6.040 1.144 6.574 932 2HB ALA 116 2HB ALA 116 7.357 0.659 5.506 933 3HB ALA 116 3HB ALA 116 6.638 2.261 5.347 934 H PHE 117 H PHE 117 6.917 1.358 9.256 935 HA PHE 117 HA PHE 117 5.314 3.644 9.755 936 1HB PHE 117 2HB PHE 117 6.119 1.226 11.321 937 2HB PHE 117 1HB PHE 117 5.360 2.572 12.164 938 HD1 PHE 117 1HD PHE 117 3.052 3.182 11.708 939 HD2 PHE 117 2HD PHE 117 4.878 -0.144 9.778 940 HE1 PHE 117 1HE PHE 117 0.835 2.360 11.036 941 HE2 PHE 117 2HE PHE 117 2.662 -0.968 9.104 942 HZ PHE 117 HZ PHE 117 0.640 0.284 9.733 943 H GLU 118 H GLU 118 8.179 2.445 11.518 944 HA GLU 118 HA GLU 118 8.547 4.738 13.075 945 1HB GLU 118 2HB GLU 118 10.469 2.591 12.207 946 2HB GLU 118 1HB GLU 118 10.910 3.871 13.329 947 1HG GLU 118 2HG GLU 118 9.160 3.135 14.861 948 2HG GLU 118 1HG GLU 118 8.717 1.851 13.737 949 H GLU 119 H GLU 119 9.901 3.857 9.924 950 HA GLU 119 HA GLU 119 11.605 6.134 9.761 951 1HB GLU 119 2HB GLU 119 10.595 4.266 7.617 952 2HB GLU 119 1HB GLU 119 11.821 5.500 7.364 953 1HG GLU 119 2HG GLU 119 12.115 3.315 9.401 954 2HG GLU 119 1HG GLU 119 12.645 3.145 7.729 955 H TYR 120 H TYR 120 8.286 5.858 9.546 956 HA TYR 120 HA TYR 120 8.102 8.505 8.341 957 1HB TYR 120 2HB TYR 120 7.530 6.244 6.838 958 2HB TYR 120 1HB TYR 120 5.948 6.783 7.393 959 HD1 TYR 120 1HD TYR 120 6.223 9.691 7.401 960 HD2 TYR 120 2HD TYR 120 7.669 6.836 4.597 961 HE1 TYR 120 1HE TYR 120 6.191 11.411 5.643 962 HE2 TYR 120 2HE TYR 120 7.641 8.548 2.832 963 HH TYR 120 HH TYR 120 7.627 11.653 3.280 964 H SER 121 H SER 121 7.867 7.739 11.030 965 HA SER 121 HA SER 121 5.207 7.300 11.856 966 1HB SER 121 2HB SER 121 6.126 8.418 14.037 967 2HB SER 121 1HB SER 121 6.771 6.859 13.523 968 HG SER 121 HG SER 121 8.239 8.786 14.092 Start of MODEL 8 1 1H MET 1 1HT MET 1 -4.423 1.415 16.364 2 2H MET 1 2HT MET 1 -3.780 2.209 17.743 3 3H MET 1 3HT MET 1 -3.288 0.609 17.364 4 HA MET 1 HA MET 1 -2.858 2.891 15.568 5 1HB MET 1 2HB MET 1 -1.285 1.882 17.916 6 2HB MET 1 1HB MET 1 -0.447 2.596 16.544 7 1HG MET 1 2HG MET 1 -1.233 4.690 16.969 8 2HG MET 1 1HG MET 1 -2.712 4.102 17.726 9 1HE MET 1 1HE MET 1 -0.578 6.304 18.210 10 2HE MET 1 2HE MET 1 0.403 6.148 19.669 11 3HE MET 1 3HE MET 1 -1.323 6.486 19.798 12 H LYS 2 H LYS 2 -0.764 2.358 14.318 13 HA LYS 2 HA LYS 2 0.309 1.056 12.799 14 1HB LYS 2 2HB LYS 2 0.043 -0.593 15.143 15 2HB LYS 2 1HB LYS 2 -0.004 -1.572 13.683 16 1HG LYS 2 2HG LYS 2 2.253 -1.480 14.323 17 2HG LYS 2 1HG LYS 2 2.096 -0.366 12.964 18 1HD LYS 2 2HD LYS 2 2.552 1.445 14.229 19 2HD LYS 2 1HD LYS 2 1.664 0.822 15.622 20 1HE LYS 2 2HE LYS 2 3.486 -0.212 16.492 21 2HE LYS 2 1HE LYS 2 4.164 -0.584 14.908 22 1HZ LYS 2 1HZ LYS 2 5.146 1.277 16.535 23 2HZ LYS 2 2HZ LYS 2 4.092 2.229 15.616 24 3HZ LYS 2 3HZ LYS 2 5.307 1.335 14.852 25 H ARG 3 H ARG 3 -1.023 1.328 11.058 26 HA ARG 3 HA ARG 3 -2.702 -0.957 10.378 27 1HB ARG 3 2HB ARG 3 -3.775 1.823 9.967 28 2HB ARG 3 1HB ARG 3 -4.635 0.294 9.862 29 1HG ARG 3 2HG ARG 3 -5.395 1.028 11.874 30 2HG ARG 3 1HG ARG 3 -3.969 0.137 12.408 31 1HD ARG 3 2HD ARG 3 -2.982 1.988 13.168 32 2HD ARG 3 1HD ARG 3 -3.344 2.878 11.690 33 HE ARG 3 HE ARG 3 -4.838 2.909 14.153 34 1HH1 ARG 3 1HH1 ARG 3 -4.945 3.513 10.716 35 2HH1 ARG 3 2HH1 ARG 3 -6.274 4.616 10.826 36 1HH2 ARG 3 1HH2 ARG 3 -6.584 4.362 14.297 37 2HH2 ARG 3 2HH2 ARG 3 -7.203 5.101 12.858 38 H VAL 4 H VAL 4 -2.483 -1.527 8.276 39 HA VAL 4 HA VAL 4 -1.251 0.449 6.463 40 HB VAL 4 HB VAL 4 -0.751 -2.519 6.276 41 1HG1 VAL 4 1HG1 VAL 4 1.279 -0.697 5.284 42 2HG1 VAL 4 2HG1 VAL 4 -0.284 -0.443 4.511 43 3HG1 VAL 4 3HG1 VAL 4 0.469 -2.036 4.473 44 1HG2 VAL 4 1HG2 VAL 4 1.448 -0.846 7.266 45 2HG2 VAL 4 2HG2 VAL 4 0.941 -2.461 7.759 46 3HG2 VAL 4 3HG2 VAL 4 0.113 -1.043 8.399 47 H LEU 5 H LEU 5 -1.961 0.452 4.315 48 HA LEU 5 HA LEU 5 -4.508 -0.940 3.904 49 1HB LEU 5 2HB LEU 5 -4.510 1.528 3.768 50 2HB LEU 5 1HB LEU 5 -3.372 1.440 2.437 51 HG LEU 5 HG LEU 5 -5.081 0.184 1.126 52 1HD1 LEU 5 1HD1 LEU 5 -7.215 -0.207 1.874 53 2HD1 LEU 5 2HD1 LEU 5 -7.144 1.078 3.079 54 3HD1 LEU 5 3HD1 LEU 5 -6.294 -0.440 3.359 55 1HD2 LEU 5 1HD2 LEU 5 -6.411 2.706 1.928 56 2HD2 LEU 5 2HD2 LEU 5 -6.001 2.100 0.324 57 3HD2 LEU 5 3HD2 LEU 5 -4.751 2.813 1.343 58 H VAL 6 H VAL 6 -4.784 -2.397 2.344 59 HA VAL 6 HA VAL 6 -2.531 -2.879 0.503 60 HB VAL 6 HB VAL 6 -4.593 -4.887 1.408 61 1HG1 VAL 6 1HG1 VAL 6 -3.758 -5.582 -0.671 62 2HG1 VAL 6 2HG1 VAL 6 -2.813 -6.481 0.517 63 3HG1 VAL 6 3HG1 VAL 6 -2.116 -5.069 -0.279 64 1HG2 VAL 6 1HG2 VAL 6 -3.172 -5.655 3.046 65 2HG2 VAL 6 2HG2 VAL 6 -2.877 -3.919 3.128 66 3HG2 VAL 6 3HG2 VAL 6 -1.741 -4.966 2.278 67 H VAL 7 H VAL 7 -3.258 -1.545 -1.167 68 HA VAL 7 HA VAL 7 -5.923 -1.841 -2.234 69 HB VAL 7 HB VAL 7 -3.569 -0.364 -3.424 70 1HG1 VAL 7 1HG1 VAL 7 -6.487 -0.479 -4.064 71 2HG1 VAL 7 2HG1 VAL 7 -5.097 -0.540 -5.149 72 3HG1 VAL 7 3HG1 VAL 7 -5.564 0.986 -4.398 73 1HG2 VAL 7 1HG2 VAL 7 -5.596 0.428 -1.373 74 2HG2 VAL 7 2HG2 VAL 7 -4.895 1.637 -2.449 75 3HG2 VAL 7 3HG2 VAL 7 -3.853 0.694 -1.383 76 H ASP 8 H ASP 8 -6.343 -3.739 -3.216 77 HA ASP 8 HA ASP 8 -4.596 -4.510 -5.445 78 1HB ASP 8 2HB ASP 8 -4.010 -5.991 -3.610 79 2HB ASP 8 1HB ASP 8 -5.704 -6.390 -3.348 80 H ASP 9 H ASP 9 -5.638 -5.052 -7.272 81 HA ASP 9 HA ASP 9 -8.449 -4.592 -7.448 82 1HB ASP 9 2HB ASP 9 -6.963 -3.946 -9.267 83 2HB ASP 9 1HB ASP 9 -6.488 -5.623 -9.508 84 H GLU 10 H GLU 10 -6.406 -7.482 -7.593 85 HA GLU 10 HA GLU 10 -8.386 -9.184 -6.588 86 1HB GLU 10 2HB GLU 10 -8.842 -8.577 -9.274 87 2HB GLU 10 1HB GLU 10 -8.098 -10.171 -9.302 88 1HG GLU 10 2HG GLU 10 -9.908 -11.163 -8.452 89 2HG GLU 10 1HG GLU 10 -10.190 -9.873 -7.284 90 H GLU 11 H GLU 11 -7.232 -10.699 -5.607 91 HA GLU 11 HA GLU 11 -5.450 -12.437 -6.863 92 1HB GLU 11 2HB GLU 11 -4.204 -10.060 -6.645 93 2HB GLU 11 1HB GLU 11 -3.801 -10.743 -5.077 94 1HG GLU 11 2HG GLU 11 -2.467 -12.353 -5.960 95 2HG GLU 11 1HG GLU 11 -3.393 -12.457 -7.458 96 H SER 12 H SER 12 -3.888 -13.443 -5.042 97 HA SER 12 HA SER 12 -5.697 -14.134 -2.855 98 1HB SER 12 2HB SER 12 -3.070 -15.501 -3.293 99 2HB SER 12 1HB SER 12 -4.592 -16.164 -2.697 100 HG SER 12 HG SER 12 -3.845 -15.552 -5.349 101 H ILE 13 H ILE 13 -3.922 -11.650 -3.074 102 HA ILE 13 HA ILE 13 -2.020 -11.967 -0.934 103 HB ILE 13 HB ILE 13 -2.896 -9.647 -2.633 104 1HG1 ILE 13 2HG1 ILE 13 -0.398 -9.619 -3.082 105 2HG1 ILE 13 1HG1 ILE 13 -0.303 -11.124 -2.174 106 1HG2 ILE 13 1HG2 ILE 13 -1.114 -9.484 -0.207 107 2HG2 ILE 13 2HG2 ILE 13 -2.667 -8.679 -0.435 108 3HG2 ILE 13 3HG2 ILE 13 -1.280 -8.219 -1.422 109 1HD1 ILE 13 1HD1 ILE 13 -0.369 -11.548 -4.555 110 2HD1 ILE 13 2HD1 ILE 13 -1.893 -10.670 -4.687 111 3HD1 ILE 13 3HD1 ILE 13 -1.819 -12.178 -3.775 112 H THR 14 H THR 14 -4.905 -9.908 -1.369 113 HA THR 14 HA THR 14 -5.163 -8.876 1.141 114 HB THR 14 HB THR 14 -7.625 -8.805 0.708 115 HG1 THR 14 1HG THR 14 -7.775 -10.800 -0.406 116 1HG2 THR 14 1HG2 THR 14 -5.599 -7.557 -0.778 117 2HG2 THR 14 2HG2 THR 14 -7.263 -7.024 -0.541 118 3HG2 THR 14 3HG2 THR 14 -6.849 -8.036 -1.926 119 H SER 15 H SER 15 -5.739 -12.167 0.185 120 HA SER 15 HA SER 15 -7.262 -12.877 2.509 121 1HB SER 15 2HB SER 15 -7.390 -14.079 0.304 122 2HB SER 15 1HB SER 15 -5.785 -14.732 0.632 123 HG SER 15 HG SER 15 -6.799 -15.495 2.678 124 H SER 16 H SER 16 -4.049 -14.008 1.430 125 HA SER 16 HA SER 16 -3.351 -14.917 4.042 126 1HB SER 16 2HB SER 16 -1.479 -14.454 1.715 127 2HB SER 16 1HB SER 16 -1.239 -15.540 3.083 128 HG SER 16 HG SER 16 -2.159 -16.980 1.874 129 H LEU 17 H LEU 17 -2.115 -12.255 2.018 130 HA LEU 17 HA LEU 17 -0.260 -11.160 3.698 131 1HB LEU 17 2HB LEU 17 -0.679 -10.360 1.435 132 2HB LEU 17 1HB LEU 17 -2.221 -9.693 1.932 133 HG LEU 17 HG LEU 17 -0.108 -8.162 1.650 134 1HD1 LEU 17 1HD1 LEU 17 -1.069 -6.600 3.239 135 2HD1 LEU 17 2HD1 LEU 17 -1.986 -7.904 3.989 136 3HD1 LEU 17 3HD1 LEU 17 -2.333 -7.424 2.328 137 1HD2 LEU 17 1HD2 LEU 17 1.224 -7.854 3.564 138 2HD2 LEU 17 2HD2 LEU 17 1.185 -9.597 3.300 139 3HD2 LEU 17 3HD2 LEU 17 0.181 -8.872 4.554 140 H SER 18 H SER 18 -3.722 -10.275 3.636 141 HA SER 18 HA SER 18 -3.707 -8.458 5.726 142 1HB SER 18 2HB SER 18 -5.864 -10.409 4.891 143 2HB SER 18 1HB SER 18 -6.119 -9.102 6.047 144 HG SER 18 HG SER 18 -6.719 -8.424 3.984 145 H ALA 19 H ALA 19 -4.037 -11.984 5.849 146 HA ALA 19 HA ALA 19 -4.446 -12.184 8.634 147 1HB ALA 19 1HB ALA 19 -5.003 -14.159 7.674 148 2HB ALA 19 2HB ALA 19 -3.333 -14.557 8.083 149 3HB ALA 19 3HB ALA 19 -3.741 -14.044 6.446 150 H ILE 20 H ILE 20 -1.539 -12.218 6.630 151 HA ILE 20 HA ILE 20 0.346 -12.901 8.564 152 HB ILE 20 HB ILE 20 0.547 -11.183 6.094 153 1HG1 ILE 20 2HG1 ILE 20 1.647 -13.920 6.751 154 2HG1 ILE 20 1HG1 ILE 20 0.181 -13.614 5.824 155 1HG2 ILE 20 1HG2 ILE 20 2.742 -11.917 8.020 156 2HG2 ILE 20 2HG2 ILE 20 2.247 -10.304 7.507 157 3HG2 ILE 20 3HG2 ILE 20 3.035 -11.391 6.363 158 1HD1 ILE 20 1HD1 ILE 20 2.921 -13.655 4.962 159 2HD1 ILE 20 2HD1 ILE 20 2.158 -12.115 4.565 160 3HD1 ILE 20 3HD1 ILE 20 1.439 -13.625 4.007 161 H LEU 21 H LEU 21 -0.237 -9.578 7.390 162 HA LEU 21 HA LEU 21 1.128 -8.200 9.328 163 1HB LEU 21 2HB LEU 21 -1.485 -7.451 8.026 164 2HB LEU 21 1HB LEU 21 -0.443 -6.337 8.892 165 HG LEU 21 HG LEU 21 1.006 -7.770 6.829 166 1HD1 LEU 21 1HD1 LEU 21 -1.203 -7.791 5.767 167 2HD1 LEU 21 2HD1 LEU 21 -0.053 -6.763 4.912 168 3HD1 LEU 21 3HD1 LEU 21 -1.290 -6.039 5.941 169 1HD2 LEU 21 1HD2 LEU 21 0.659 -5.027 7.861 170 2HD2 LEU 21 2HD2 LEU 21 1.180 -5.179 6.184 171 3HD2 LEU 21 3HD2 LEU 21 2.129 -5.920 7.473 172 H GLU 22 H GLU 22 -2.027 -9.693 9.523 173 HA GLU 22 HA GLU 22 -2.906 -8.520 11.922 174 1HB GLU 22 2HB GLU 22 -3.948 -10.298 10.102 175 2HB GLU 22 1HB GLU 22 -3.760 -11.277 11.549 176 1HG GLU 22 2HG GLU 22 -5.321 -10.103 12.718 177 2HG GLU 22 1HG GLU 22 -5.018 -8.608 11.833 178 H GLU 23 H GLU 23 -0.709 -11.147 11.242 179 HA GLU 23 HA GLU 23 -0.673 -12.137 13.940 180 1HB GLU 23 2HB GLU 23 -0.175 -13.745 12.279 181 2HB GLU 23 1HB GLU 23 0.962 -12.677 11.468 182 1HG GLU 23 2HG GLU 23 2.664 -13.282 12.780 183 2HG GLU 23 1HG GLU 23 1.665 -13.322 14.233 184 H GLU 24 H GLU 24 1.239 -9.961 11.946 185 HA GLU 24 HA GLU 24 3.351 -9.623 13.812 186 1HB GLU 24 2HB GLU 24 2.547 -8.438 11.257 187 2HB GLU 24 1HB GLU 24 3.420 -7.349 12.325 188 1HG GLU 24 2HG GLU 24 4.810 -9.786 12.368 189 2HG GLU 24 1HG GLU 24 4.419 -9.459 10.681 190 H GLY 25 H GLY 25 0.183 -8.308 13.545 191 1HA GLY 25 2HA GLY 25 -0.841 -7.224 15.406 192 2HA GLY 25 1HA GLY 25 0.736 -6.601 15.858 193 H TYR 26 H TYR 26 -1.341 -6.501 12.963 194 HA TYR 26 HA TYR 26 -1.051 -3.572 12.973 195 1HB TYR 26 2HB TYR 26 -0.777 -5.453 10.627 196 2HB TYR 26 1HB TYR 26 -1.043 -3.724 10.439 197 HD1 TYR 26 1HD TYR 26 0.663 -2.249 11.915 198 HD2 TYR 26 2HD TYR 26 1.396 -6.188 10.484 199 HE1 TYR 26 1HE TYR 26 3.083 -1.854 12.083 200 HE2 TYR 26 2HE TYR 26 3.817 -5.805 10.648 201 HH TYR 26 HH TYR 26 5.167 -3.271 12.352 202 H HIS 27 H HIS 27 -2.636 -2.760 11.064 203 HA HIS 27 HA HIS 27 -5.228 -4.104 11.411 204 1HB HIS 27 2HB HIS 27 -4.577 -1.748 12.680 205 2HB HIS 27 1HB HIS 27 -5.378 -1.176 11.221 206 HD1 HIS 27 1HD HIS 27 -7.269 -3.910 11.361 207 HD2 HIS 27 2HD HIS 27 -6.859 -0.835 14.127 208 HE1 HIS 27 1HE HIS 27 -9.377 -3.952 12.730 209 HE2 HIS 27 2HE HIS 27 -9.077 -2.130 14.444 210 HA PRO 28 HA PRO 28 -4.265 -3.318 6.949 211 1HB PRO 28 2HB PRO 28 -5.470 -5.947 6.567 212 2HB PRO 28 1HB PRO 28 -3.870 -5.371 6.102 213 1HG PRO 28 2HG PRO 28 -4.275 -7.173 8.091 214 2HG PRO 28 1HG PRO 28 -2.911 -6.043 8.066 215 1HD PRO 28 2HD PRO 28 -5.444 -5.923 9.645 216 2HD PRO 28 1HD PRO 28 -3.800 -5.441 10.104 217 H ASP 29 H ASP 29 -5.647 -2.457 5.559 218 HA ASP 29 HA ASP 29 -8.511 -2.941 5.996 219 1HB ASP 29 2HB ASP 29 -7.659 -0.651 6.689 220 2HB ASP 29 1HB ASP 29 -7.454 -0.330 4.970 221 H THR 30 H THR 30 -6.284 -3.727 3.959 222 HA THR 30 HA THR 30 -6.121 -3.548 1.567 223 HB THR 30 HB THR 30 -6.888 -5.666 0.875 224 HG1 THR 30 1HG THR 30 -8.827 -6.237 1.372 225 1HG2 THR 30 1HG2 THR 30 -5.756 -6.947 2.308 226 2HG2 THR 30 2HG2 THR 30 -6.749 -6.461 3.682 227 3HG2 THR 30 3HG2 THR 30 -5.422 -5.431 3.145 228 H ALA 31 H ALA 31 -6.851 -2.463 -0.078 229 HA ALA 31 HA ALA 31 -9.712 -1.833 -0.245 230 1HB ALA 31 1HB ALA 31 -9.149 0.191 -1.024 231 2HB ALA 31 2HB ALA 31 -7.933 -0.465 -2.120 232 3HB ALA 31 3HB ALA 31 -7.535 -0.186 -0.425 233 H LYS 32 H LYS 32 -9.778 -1.156 -2.979 234 HA LYS 32 HA LYS 32 -9.458 -3.796 -4.237 235 1HB LYS 32 2HB LYS 32 -11.760 -3.515 -4.093 236 2HB LYS 32 1HB LYS 32 -11.665 -1.777 -4.332 237 1HG LYS 32 2HG LYS 32 -11.071 -2.158 -6.680 238 2HG LYS 32 1HG LYS 32 -11.255 -3.893 -6.426 239 1HD LYS 32 2HD LYS 32 -13.388 -3.592 -7.047 240 2HD LYS 32 1HD LYS 32 -13.616 -2.882 -5.448 241 1HE LYS 32 2HE LYS 32 -12.665 -0.744 -6.774 242 2HE LYS 32 1HE LYS 32 -13.460 -1.592 -8.101 243 1HZ LYS 32 1HZ LYS 32 -15.239 -0.465 -7.346 244 2HZ LYS 32 2HZ LYS 32 -14.616 -0.272 -5.786 245 3HZ LYS 32 3HZ LYS 32 -15.343 -1.734 -6.232 246 H THR 33 H THR 33 -9.281 -0.303 -4.703 247 HA THR 33 HA THR 33 -7.204 -0.621 -6.655 248 HB THR 33 HB THR 33 -8.501 0.774 -8.380 249 HG1 THR 33 1HG THR 33 -10.647 -0.212 -6.816 250 1HG2 THR 33 1HG2 THR 33 -8.082 -1.843 -8.330 251 2HG2 THR 33 2HG2 THR 33 -9.050 -1.058 -9.577 252 3HG2 THR 33 3HG2 THR 33 -9.841 -1.852 -8.216 253 H LEU 34 H LEU 34 -7.044 1.818 -7.761 254 HA LEU 34 HA LEU 34 -6.208 3.442 -5.600 255 1HB LEU 34 2HB LEU 34 -6.664 4.321 -8.449 256 2HB LEU 34 1HB LEU 34 -5.607 5.069 -7.266 257 HG LEU 34 HG LEU 34 -5.171 2.260 -8.252 258 1HD1 LEU 34 1HD1 LEU 34 -3.265 3.660 -9.523 259 2HD1 LEU 34 2HD1 LEU 34 -4.585 4.829 -9.571 260 3HD1 LEU 34 3HD1 LEU 34 -4.806 3.219 -10.258 261 1HD2 LEU 34 1HD2 LEU 34 -4.117 3.093 -6.111 262 2HD2 LEU 34 2HD2 LEU 34 -3.201 4.224 -7.108 263 3HD2 LEU 34 3HD2 LEU 34 -3.004 2.487 -7.337 264 H ARG 35 H ARG 35 -8.972 3.631 -7.820 265 HA ARG 35 HA ARG 35 -10.056 6.015 -6.776 266 1HB ARG 35 2HB ARG 35 -11.556 3.719 -8.054 267 2HB ARG 35 1HB ARG 35 -12.110 5.381 -7.912 268 1HG ARG 35 2HG ARG 35 -10.835 6.102 -9.637 269 2HG ARG 35 1HG ARG 35 -9.541 4.947 -9.308 270 1HD ARG 35 2HD ARG 35 -10.724 3.183 -10.351 271 2HD ARG 35 1HD ARG 35 -12.217 4.119 -10.402 272 HE ARG 35 HE ARG 35 -11.485 5.124 -12.324 273 1HH1 ARG 35 1HH1 ARG 35 -8.791 3.524 -10.787 274 2HH1 ARG 35 2HH1 ARG 35 -7.717 3.779 -12.121 275 1HH2 ARG 35 1HH2 ARG 35 -10.074 5.460 -14.080 276 2HH2 ARG 35 2HH2 ARG 35 -8.445 4.878 -13.990 277 H GLU 36 H GLU 36 -10.658 2.603 -6.046 278 HA GLU 36 HA GLU 36 -12.602 3.096 -4.031 279 1HB GLU 36 2HB GLU 36 -12.062 0.912 -5.373 280 2HB GLU 36 1HB GLU 36 -10.904 0.623 -4.083 281 1HG GLU 36 2HG GLU 36 -13.576 1.355 -3.150 282 2HG GLU 36 1HG GLU 36 -13.509 -0.153 -4.062 283 H ALA 37 H ALA 37 -9.112 2.839 -4.080 284 HA ALA 37 HA ALA 37 -8.789 2.637 -1.248 285 1HB ALA 37 1HB ALA 37 -6.416 3.098 -1.705 286 2HB ALA 37 2HB ALA 37 -6.820 3.467 -3.382 287 3HB ALA 37 3HB ALA 37 -7.056 1.835 -2.757 288 H GLU 38 H GLU 38 -9.156 5.254 -3.518 289 HA GLU 38 HA GLU 38 -8.182 7.310 -1.809 290 1HB GLU 38 2HB GLU 38 -9.966 7.339 -4.235 291 2HB GLU 38 1HB GLU 38 -9.535 8.804 -3.365 292 1HG GLU 38 2HG GLU 38 -7.331 8.708 -4.019 293 2HG GLU 38 1HG GLU 38 -7.387 6.972 -4.318 294 H LYS 39 H LYS 39 -11.377 5.969 -2.518 295 HA LYS 39 HA LYS 39 -12.880 7.722 -0.923 296 1HB LYS 39 2HB LYS 39 -13.964 6.249 -2.513 297 2HB LYS 39 1HB LYS 39 -13.370 4.829 -1.663 298 1HG LYS 39 2HG LYS 39 -15.034 6.733 -0.122 299 2HG LYS 39 1HG LYS 39 -15.837 5.757 -1.353 300 1HD LYS 39 2HD LYS 39 -14.454 3.817 -0.202 301 2HD LYS 39 1HD LYS 39 -14.505 4.920 1.173 302 1HE LYS 39 2HE LYS 39 -16.892 4.936 1.164 303 2HE LYS 39 1HE LYS 39 -16.948 4.068 -0.369 304 1HZ LYS 39 1HZ LYS 39 -15.842 2.952 2.151 305 2HZ LYS 39 2HZ LYS 39 -16.064 2.126 0.690 306 3HZ LYS 39 3HZ LYS 39 -17.404 2.651 1.577 307 H LYS 40 H LYS 40 -11.171 4.722 -0.195 308 HA LYS 40 HA LYS 40 -12.057 4.529 2.504 309 1HB LYS 40 2HB LYS 40 -9.652 3.331 1.125 310 2HB LYS 40 1HB LYS 40 -10.199 2.896 2.738 311 1HG LYS 40 2HG LYS 40 -12.325 2.703 0.776 312 2HG LYS 40 1HG LYS 40 -10.937 1.693 0.365 313 1HD LYS 40 2HD LYS 40 -11.183 1.184 3.020 314 2HD LYS 40 1HD LYS 40 -12.869 1.456 2.571 315 1HE LYS 40 2HE LYS 40 -12.943 -0.374 1.204 316 2HE LYS 40 1HE LYS 40 -11.224 -0.297 0.824 317 1HZ LYS 40 1HZ LYS 40 -12.580 -1.607 3.043 318 2HZ LYS 40 2HZ LYS 40 -11.096 -0.876 3.399 319 3HZ LYS 40 3HZ LYS 40 -11.186 -2.067 2.202 320 H ILE 41 H ILE 41 -9.081 5.748 0.992 321 HA ILE 41 HA ILE 41 -7.889 6.535 3.464 322 HB ILE 41 HB ILE 41 -7.209 7.472 0.676 323 1HG1 ILE 41 2HG1 ILE 41 -5.645 5.375 2.111 324 2HG1 ILE 41 1HG1 ILE 41 -7.174 4.905 1.376 325 1HG2 ILE 41 1HG2 ILE 41 -5.761 7.623 3.304 326 2HG2 ILE 41 2HG2 ILE 41 -6.173 8.934 2.199 327 3HG2 ILE 41 3HG2 ILE 41 -4.927 7.769 1.757 328 1HD1 ILE 41 1HD1 ILE 41 -6.125 4.681 -0.552 329 2HD1 ILE 41 2HD1 ILE 41 -4.630 5.290 0.154 330 3HD1 ILE 41 3HD1 ILE 41 -5.793 6.413 -0.549 331 H LYS 42 H LYS 42 -10.203 7.982 1.368 332 HA LYS 42 HA LYS 42 -9.738 10.696 1.783 333 1HB LYS 42 2HB LYS 42 -12.030 9.044 0.966 334 2HB LYS 42 1HB LYS 42 -12.431 10.627 1.618 335 1HG LYS 42 2HG LYS 42 -11.145 11.728 -0.052 336 2HG LYS 42 1HG LYS 42 -10.457 10.202 -0.609 337 1HD LYS 42 2HD LYS 42 -12.402 9.558 -1.669 338 2HD LYS 42 1HD LYS 42 -13.420 10.567 -0.639 339 1HE LYS 42 2HE LYS 42 -13.468 12.019 -2.329 340 2HE LYS 42 1HE LYS 42 -11.791 12.389 -1.927 341 1HZ LYS 42 1HZ LYS 42 -11.485 10.222 -3.449 342 2HZ LYS 42 2HZ LYS 42 -11.455 11.801 -4.054 343 3HZ LYS 42 3HZ LYS 42 -12.872 10.881 -4.156 344 H GLU 43 H GLU 43 -10.892 8.307 3.964 345 HA GLU 43 HA GLU 43 -11.476 10.411 5.928 346 1HB GLU 43 2HB GLU 43 -12.848 7.726 5.840 347 2HB GLU 43 1HB GLU 43 -13.242 9.093 6.874 348 1HG GLU 43 2HG GLU 43 -14.535 10.023 5.325 349 2HG GLU 43 1HG GLU 43 -13.339 9.772 4.056 350 H LEU 44 H LEU 44 -10.440 7.063 5.435 351 HA LEU 44 HA LEU 44 -9.468 6.779 8.122 352 1HB LEU 44 2HB LEU 44 -9.949 5.080 5.875 353 2HB LEU 44 1HB LEU 44 -8.297 4.836 6.412 354 HG LEU 44 HG LEU 44 -9.813 3.245 7.469 355 1HD1 LEU 44 1HD1 LEU 44 -8.977 3.426 9.637 356 2HD1 LEU 44 2HD1 LEU 44 -8.992 5.190 9.596 357 3HD1 LEU 44 3HD1 LEU 44 -7.798 4.296 8.655 358 1HD2 LEU 44 1HD2 LEU 44 -11.902 4.105 7.698 359 2HD2 LEU 44 2HD2 LEU 44 -11.314 5.720 8.096 360 3HD2 LEU 44 3HD2 LEU 44 -11.301 4.450 9.320 361 H PHE 45 H PHE 45 -7.591 7.472 8.884 362 HA PHE 45 HA PHE 45 -5.621 8.609 7.111 363 1HB PHE 45 2HB PHE 45 -6.274 9.577 9.361 364 2HB PHE 45 1HB PHE 45 -5.394 8.243 10.100 365 HD1 PHE 45 1HD PHE 45 -5.136 11.416 8.357 366 HD2 PHE 45 2HD PHE 45 -2.959 8.088 9.874 367 HE1 PHE 45 1HE PHE 45 -3.049 12.709 8.187 368 HE2 PHE 45 2HE PHE 45 -0.868 9.375 9.707 369 HZ PHE 45 HZ PHE 45 -0.912 11.688 8.864 370 H PHE 46 H PHE 46 -4.929 6.756 5.960 371 HA PHE 46 HA PHE 46 -3.750 4.538 7.362 372 1HB PHE 46 2HB PHE 46 -3.958 5.276 4.448 373 2HB PHE 46 1HB PHE 46 -3.055 3.868 4.997 374 HD1 PHE 46 1HD PHE 46 -6.212 5.089 3.994 375 HD2 PHE 46 2HD PHE 46 -4.343 2.187 6.481 376 HE1 PHE 46 1HE PHE 46 -8.287 3.765 4.002 377 HE2 PHE 46 2HE PHE 46 -6.413 0.858 6.494 378 HZ PHE 46 HZ PHE 46 -8.389 1.650 5.255 379 HA PRO 47 HA PRO 47 0.204 6.700 7.626 380 1HB PRO 47 2HB PRO 47 1.427 4.904 9.221 381 2HB PRO 47 1HB PRO 47 0.226 6.041 9.843 382 1HG PRO 47 2HG PRO 47 -0.104 3.161 9.093 383 2HG PRO 47 1HG PRO 47 -0.724 4.024 10.513 384 1HD PRO 47 2HD PRO 47 -2.245 3.487 8.322 385 2HD PRO 47 1HD PRO 47 -2.500 4.908 9.352 386 H VAL 48 H VAL 48 -0.460 3.488 6.510 387 HA VAL 48 HA VAL 48 1.871 3.600 4.767 388 HB VAL 48 HB VAL 48 1.236 1.051 6.224 389 1HG1 VAL 48 1HG1 VAL 48 3.492 2.068 4.536 390 2HG1 VAL 48 2HG1 VAL 48 2.553 0.584 4.365 391 3HG1 VAL 48 3HG1 VAL 48 3.734 0.736 5.666 392 1HG2 VAL 48 1HG2 VAL 48 1.727 2.634 7.942 393 2HG2 VAL 48 2HG2 VAL 48 3.125 3.238 7.051 394 3HG2 VAL 48 3HG2 VAL 48 3.142 1.604 7.714 395 H ILE 49 H ILE 49 1.378 2.993 2.767 396 HA ILE 49 HA ILE 49 -1.099 1.468 2.315 397 HB ILE 49 HB ILE 49 0.107 3.282 0.246 398 1HG1 ILE 49 2HG1 ILE 49 -0.243 4.683 2.222 399 2HG1 ILE 49 1HG1 ILE 49 -1.425 5.067 0.975 400 1HG2 ILE 49 1HG2 ILE 49 -2.658 2.192 0.733 401 2HG2 ILE 49 2HG2 ILE 49 -1.542 1.738 -0.553 402 3HG2 ILE 49 3HG2 ILE 49 -2.253 3.352 -0.532 403 1HD1 ILE 49 1HD1 ILE 49 -2.110 4.794 3.495 404 2HD1 ILE 49 2HD1 ILE 49 -2.174 3.088 3.054 405 3HD1 ILE 49 3HD1 ILE 49 -3.170 4.259 2.191 406 H VAL 50 H VAL 50 -1.088 0.062 0.425 407 HA VAL 50 HA VAL 50 1.500 -0.593 -0.712 408 HB VAL 50 HB VAL 50 -0.091 -2.651 0.827 409 1HG1 VAL 50 1HG1 VAL 50 2.517 -3.522 0.020 410 2HG1 VAL 50 2HG1 VAL 50 1.608 -2.990 -1.395 411 3HG1 VAL 50 3HG1 VAL 50 0.945 -4.236 -0.338 412 1HG2 VAL 50 1HG2 VAL 50 2.206 -2.771 2.037 413 2HG2 VAL 50 2HG2 VAL 50 1.072 -1.486 2.450 414 3HG2 VAL 50 3HG2 VAL 50 2.434 -1.153 1.381 415 H LEU 51 H LEU 51 0.904 -0.273 -2.748 416 HA LEU 51 HA LEU 51 -1.652 -1.088 -3.767 417 1HB LEU 51 2HB LEU 51 -0.550 0.920 -4.601 418 2HB LEU 51 1HB LEU 51 0.799 -0.040 -5.175 419 HG LEU 51 HG LEU 51 -0.748 -1.192 -6.750 420 1HD1 LEU 51 1HD1 LEU 51 -2.908 -1.057 -6.141 421 2HD1 LEU 51 2HD1 LEU 51 -2.872 0.439 -7.075 422 3HD1 LEU 51 3HD1 LEU 51 -2.691 0.489 -5.321 423 1HD2 LEU 51 1HD2 LEU 51 0.315 1.437 -6.889 424 2HD2 LEU 51 2HD2 LEU 51 -1.240 1.430 -7.721 425 3HD2 LEU 51 3HD2 LEU 51 0.023 0.297 -8.202 426 H ASP 52 H ASP 52 -2.075 -2.652 -5.305 427 HA ASP 52 HA ASP 52 0.020 -4.660 -5.772 428 1HB ASP 52 2HB ASP 52 -1.984 -5.117 -4.016 429 2HB ASP 52 1HB ASP 52 -2.764 -5.645 -5.504 430 H VAL 53 H VAL 53 0.285 -3.692 -7.826 431 HA VAL 53 HA VAL 53 -1.765 -3.256 -9.688 432 HB VAL 53 HB VAL 53 1.162 -3.840 -10.169 433 1HG1 VAL 53 1HG1 VAL 53 0.292 -4.135 -12.273 434 2HG1 VAL 53 2HG1 VAL 53 0.576 -2.394 -12.273 435 3HG1 VAL 53 3HG1 VAL 53 -1.048 -3.022 -11.995 436 1HG2 VAL 53 1HG2 VAL 53 0.970 -1.917 -8.797 437 2HG2 VAL 53 2HG2 VAL 53 -0.367 -1.282 -9.758 438 3HG2 VAL 53 3HG2 VAL 53 1.258 -1.340 -10.439 439 H TRP 54 H TRP 54 -2.980 -5.341 -9.264 440 HA TRP 54 HA TRP 54 -1.942 -7.808 -10.187 441 1HB TRP 54 2HB TRP 54 -3.826 -7.877 -8.717 442 2HB TRP 54 1HB TRP 54 -4.771 -6.829 -9.769 443 HD1 TRP 54 HD TRP 54 -3.022 -10.276 -10.242 444 HE1 TRP 54 1HE TRP 54 -4.657 -11.814 -11.497 445 HE3 TRP 54 3HE TRP 54 -6.935 -7.034 -10.795 446 HZ2 TRP 54 2HZ TRP 54 -7.261 -11.678 -12.577 447 HZ3 TRP 54 3HZ TRP 54 -8.961 -7.815 -11.951 448 HH2 TRP 54 HH TRP 54 -9.119 -10.090 -12.823 449 H MET 55 H MET 55 -4.888 -6.791 -11.762 450 HA MET 55 HA MET 55 -3.466 -6.482 -14.303 451 1HB MET 55 2HB MET 55 -5.579 -8.488 -13.637 452 2HB MET 55 1HB MET 55 -5.524 -7.818 -15.262 453 1HG MET 55 2HG MET 55 -3.714 -8.998 -15.822 454 2HG MET 55 1HG MET 55 -2.933 -8.728 -14.266 455 1HE MET 55 1HE MET 55 -3.723 -12.690 -15.472 456 2HE MET 55 2HE MET 55 -2.528 -11.421 -15.742 457 3HE MET 55 3HE MET 55 -4.094 -11.343 -16.549 458 HA PRO 56 HA PRO 56 -7.214 -3.630 -13.769 459 1HB PRO 56 2HB PRO 56 -6.359 -1.558 -12.335 460 2HB PRO 56 1HB PRO 56 -6.866 -3.053 -11.540 461 1HG PRO 56 2HG PRO 56 -4.107 -2.056 -12.117 462 2HG PRO 56 1HG PRO 56 -4.727 -2.851 -10.661 463 1HD PRO 56 2HD PRO 56 -3.322 -4.117 -12.688 464 2HD PRO 56 1HD PRO 56 -4.382 -4.925 -11.518 465 H ASP 57 H ASP 57 -6.971 -0.942 -14.046 466 HA ASP 57 HA ASP 57 -4.911 -0.411 -16.042 467 1HB ASP 57 2HB ASP 57 -6.622 0.525 -17.610 468 2HB ASP 57 1HB ASP 57 -6.718 -1.222 -17.412 469 H GLY 58 H GLY 58 -5.085 0.578 -13.440 470 1HA GLY 58 2HA GLY 58 -6.187 3.280 -13.688 471 2HA GLY 58 1HA GLY 58 -5.599 2.533 -12.210 472 H ASP 59 H ASP 59 -4.722 4.937 -12.391 473 HA ASP 59 HA ASP 59 -2.038 4.780 -13.599 474 1HB ASP 59 2HB ASP 59 -3.657 6.549 -14.483 475 2HB ASP 59 1HB ASP 59 -3.482 7.340 -12.919 476 H GLY 60 H GLY 60 -1.393 3.666 -11.617 477 1HA GLY 60 2HA GLY 60 -1.562 4.787 -9.054 478 2HA GLY 60 1HA GLY 60 -0.344 3.632 -9.577 479 H VAL 61 H VAL 61 0.542 5.542 -11.714 480 HA VAL 61 HA VAL 61 2.713 6.675 -10.436 481 HB VAL 61 HB VAL 61 1.429 7.724 -12.959 482 1HG1 VAL 61 1HG1 VAL 61 4.130 7.976 -11.711 483 2HG1 VAL 61 2HG1 VAL 61 3.101 9.222 -12.417 484 3HG1 VAL 61 3HG1 VAL 61 3.944 8.080 -13.462 485 1HG2 VAL 61 1HG2 VAL 61 3.187 5.337 -12.481 486 2HG2 VAL 61 2HG2 VAL 61 3.110 6.137 -14.050 487 3HG2 VAL 61 3HG2 VAL 61 1.657 5.422 -13.353 488 H ASN 62 H ASN 62 -0.390 8.172 -11.296 489 HA ASN 62 HA ASN 62 0.393 10.660 -10.011 490 1HB ASN 62 2HB ASN 62 -1.437 9.927 -12.065 491 2HB ASN 62 1HB ASN 62 -2.362 10.672 -10.765 492 1HD2 ASN 62 1HD2 ASN 62 0.398 11.120 -12.899 493 2HD2 ASN 62 2HD2 ASN 62 0.344 12.847 -12.907 494 H PHE 63 H PHE 63 -0.522 7.843 -8.768 495 HA PHE 63 HA PHE 63 -2.583 8.825 -6.968 496 1HB PHE 63 2HB PHE 63 -2.792 6.546 -7.859 497 2HB PHE 63 1HB PHE 63 -1.250 6.113 -7.127 498 HD1 PHE 63 1HD PHE 63 -4.316 7.871 -5.931 499 HD2 PHE 63 2HD PHE 63 -1.516 4.725 -5.323 500 HE1 PHE 63 1HE PHE 63 -5.481 7.241 -3.859 501 HE2 PHE 63 2HE PHE 63 -2.675 4.089 -3.248 502 HZ PHE 63 HZ PHE 63 -4.662 5.349 -2.513 503 H ILE 64 H ILE 64 0.807 7.870 -6.899 504 HA ILE 64 HA ILE 64 1.328 7.721 -4.215 505 HB ILE 64 HB ILE 64 3.107 9.093 -6.234 506 1HG1 ILE 64 2HG1 ILE 64 3.980 6.463 -5.784 507 2HG1 ILE 64 1HG1 ILE 64 2.236 6.340 -5.995 508 1HG2 ILE 64 1HG2 ILE 64 4.932 8.471 -4.780 509 2HG2 ILE 64 2HG2 ILE 64 3.819 7.667 -3.674 510 3HG2 ILE 64 3HG2 ILE 64 3.753 9.418 -3.875 511 1HD1 ILE 64 1HD1 ILE 64 4.062 7.756 -7.917 512 2HD1 ILE 64 2HD1 ILE 64 2.357 7.361 -8.143 513 3HD1 ILE 64 3HD1 ILE 64 3.559 6.074 -8.080 514 H ASP 65 H ASP 65 0.590 10.567 -6.084 515 HA ASP 65 HA ASP 65 1.472 12.431 -4.086 516 1HB ASP 65 2HB ASP 65 1.168 12.793 -6.656 517 2HB ASP 65 1HB ASP 65 -0.511 13.119 -6.232 518 H PHE 66 H PHE 66 -1.564 10.899 -4.974 519 HA PHE 66 HA PHE 66 -3.306 12.456 -3.437 520 1HB PHE 66 2HB PHE 66 -4.187 10.910 -5.061 521 2HB PHE 66 1HB PHE 66 -3.437 9.543 -4.244 522 HD1 PHE 66 1HD PHE 66 -4.418 8.583 -2.270 523 HD2 PHE 66 2HD PHE 66 -6.184 11.962 -4.161 524 HE1 PHE 66 1HE PHE 66 -6.473 8.235 -0.967 525 HE2 PHE 66 2HE PHE 66 -8.244 11.620 -2.859 526 HZ PHE 66 HZ PHE 66 -8.390 9.754 -1.258 527 H ILE 67 H ILE 67 -1.399 9.592 -2.615 528 HA ILE 67 HA ILE 67 -2.380 9.200 -0.019 529 HB ILE 67 HB ILE 67 0.342 8.577 -1.179 530 1HG1 ILE 67 2HG1 ILE 67 -0.761 6.197 -0.912 531 2HG1 ILE 67 1HG1 ILE 67 -2.261 7.117 -0.951 532 1HG2 ILE 67 1HG2 ILE 67 0.929 8.395 0.998 533 2HG2 ILE 67 2HG2 ILE 67 0.115 6.837 0.852 534 3HG2 ILE 67 3HG2 ILE 67 -0.738 8.217 1.546 535 1HD1 ILE 67 1HD1 ILE 67 -0.394 7.825 -3.076 536 2HD1 ILE 67 2HD1 ILE 67 -2.118 7.463 -3.147 537 3HD1 ILE 67 3HD1 ILE 67 -0.941 6.150 -3.125 538 H LYS 68 H LYS 68 0.294 11.190 -1.233 539 HA LYS 68 HA LYS 68 0.947 12.158 1.408 540 1HB LYS 68 2HB LYS 68 1.897 13.303 -1.215 541 2HB LYS 68 1HB LYS 68 2.676 13.415 0.357 542 1HG LYS 68 2HG LYS 68 2.574 10.724 0.007 543 2HG LYS 68 1HG LYS 68 2.775 11.288 -1.653 544 1HD LYS 68 2HD LYS 68 4.505 12.568 0.367 545 2HD LYS 68 1HD LYS 68 4.826 10.862 0.044 546 1HE LYS 68 2HE LYS 68 6.175 11.897 -1.514 547 2HE LYS 68 1HE LYS 68 4.712 11.590 -2.450 548 1HZ LYS 68 1HZ LYS 68 4.166 13.996 -1.468 549 2HZ LYS 68 2HZ LYS 68 4.948 13.757 -2.948 550 3HZ LYS 68 3HZ LYS 68 5.851 14.109 -1.561 551 H GLU 69 H GLU 69 -1.298 12.961 -1.023 552 HA GLU 69 HA GLU 69 -1.480 15.764 -0.515 553 1HB GLU 69 2HB GLU 69 -2.221 14.568 -2.620 554 2HB GLU 69 1HB GLU 69 -3.614 14.010 -1.708 555 1HG GLU 69 2HG GLU 69 -3.267 16.862 -1.450 556 2HG GLU 69 1HG GLU 69 -3.385 16.372 -3.140 557 H ASN 70 H ASN 70 -3.021 12.886 0.738 558 HA ASN 70 HA ASN 70 -4.391 14.555 2.737 559 1HB ASN 70 2HB ASN 70 -5.961 12.326 2.663 560 2HB ASN 70 1HB ASN 70 -6.306 13.814 1.788 561 1HD2 ASN 70 1HD2 ASN 70 -5.126 13.920 -0.395 562 2HD2 ASN 70 2HD2 ASN 70 -5.209 12.492 -1.361 563 H SER 71 H SER 71 -1.833 12.772 2.499 564 HA SER 71 HA SER 71 -1.917 11.872 5.214 565 1HB SER 71 2HB SER 71 -2.486 9.983 3.073 566 2HB SER 71 1HB SER 71 -1.069 9.502 4.008 567 HG SER 71 HG SER 71 -3.693 10.004 4.949 568 HA PRO 72 HA PRO 72 2.209 13.087 3.366 569 1HB PRO 72 2HB PRO 72 2.309 14.955 5.618 570 2HB PRO 72 1HB PRO 72 2.512 15.276 3.894 571 1HG PRO 72 2HG PRO 72 0.333 16.084 5.267 572 2HG PRO 72 1HG PRO 72 0.263 15.618 3.557 573 1HD PRO 72 2HD PRO 72 -0.530 14.057 5.986 574 2HD PRO 72 1HD PRO 72 -1.337 14.176 4.408 575 H ASP 73 H ASP 73 1.011 12.225 6.453 576 HA ASP 73 HA ASP 73 3.676 11.484 7.417 577 1HB ASP 73 2HB ASP 73 2.195 12.802 8.917 578 2HB ASP 73 1HB ASP 73 1.051 11.464 8.913 579 H SER 74 H SER 74 2.304 10.029 5.292 580 HA SER 74 HA SER 74 1.880 7.441 6.627 581 1HB SER 74 2HB SER 74 -0.093 8.227 5.402 582 2HB SER 74 1HB SER 74 0.870 8.385 3.934 583 HG SER 74 HG SER 74 -0.459 6.327 4.517 584 H VAL 75 H VAL 75 2.096 5.901 4.215 585 HA VAL 75 HA VAL 75 4.734 6.421 3.137 586 HB VAL 75 HB VAL 75 4.248 3.873 4.689 587 1HG1 VAL 75 1HG1 VAL 75 6.291 4.774 2.737 588 2HG1 VAL 75 2HG1 VAL 75 5.693 3.153 3.084 589 3HG1 VAL 75 3HG1 VAL 75 6.881 3.900 4.151 590 1HG2 VAL 75 1HG2 VAL 75 4.620 5.643 6.244 591 2HG2 VAL 75 2HG2 VAL 75 5.945 6.294 5.280 592 3HG2 VAL 75 3HG2 VAL 75 6.131 4.744 6.100 593 H VAL 76 H VAL 76 5.001 5.610 1.161 594 HA VAL 76 HA VAL 76 2.814 3.946 0.099 595 HB VAL 76 HB VAL 76 4.722 5.517 -1.608 596 1HG1 VAL 76 1HG1 VAL 76 3.234 3.737 -2.574 597 2HG1 VAL 76 2HG1 VAL 76 3.037 5.345 -3.273 598 3HG1 VAL 76 3HG1 VAL 76 1.859 4.739 -2.109 599 1HG2 VAL 76 1HG2 VAL 76 2.199 6.501 -0.288 600 2HG2 VAL 76 2HG2 VAL 76 2.965 7.299 -1.661 601 3HG2 VAL 76 3HG2 VAL 76 3.825 7.163 -0.127 602 H ILE 77 H ILE 77 3.292 1.880 -0.130 603 HA ILE 77 HA ILE 77 6.052 1.032 -0.546 604 HB ILE 77 HB ILE 77 3.573 -0.654 -0.165 605 1HG1 ILE 77 2HG1 ILE 77 3.992 0.717 1.805 606 2HG1 ILE 77 1HG1 ILE 77 4.404 -0.960 2.147 607 1HG2 ILE 77 1HG2 ILE 77 4.836 -2.470 -0.427 608 2HG2 ILE 77 2HG2 ILE 77 6.133 -1.815 0.572 609 3HG2 ILE 77 3HG2 ILE 77 6.043 -1.401 -1.140 610 1HD1 ILE 77 1HD1 ILE 77 6.803 -0.113 1.393 611 2HD1 ILE 77 2HD1 ILE 77 6.217 0.047 3.049 612 3HD1 ILE 77 3HD1 ILE 77 6.140 1.424 1.950 613 H VAL 78 H VAL 78 2.918 0.080 -1.978 614 HA VAL 78 HA VAL 78 2.360 -0.595 -4.088 615 HB VAL 78 HB VAL 78 4.443 1.467 -4.859 616 1HG1 VAL 78 1HG1 VAL 78 2.073 0.557 -6.479 617 2HG1 VAL 78 2HG1 VAL 78 3.683 -0.137 -6.663 618 3HG1 VAL 78 3HG1 VAL 78 3.417 1.575 -6.991 619 1HG2 VAL 78 1HG2 VAL 78 1.564 2.103 -4.957 620 2HG2 VAL 78 2HG2 VAL 78 2.937 3.106 -4.490 621 3HG2 VAL 78 3HG2 VAL 78 2.268 1.942 -3.348 622 H ILE 79 H ILE 79 3.023 -2.703 -4.221 623 HA ILE 79 HA ILE 79 5.656 -3.157 -5.466 624 HB ILE 79 HB ILE 79 4.328 -5.110 -3.600 625 1HG1 ILE 79 2HG1 ILE 79 6.660 -3.340 -2.901 626 2HG1 ILE 79 1HG1 ILE 79 4.997 -2.902 -2.521 627 1HG2 ILE 79 1HG2 ILE 79 6.766 -5.925 -3.525 628 2HG2 ILE 79 2HG2 ILE 79 6.981 -4.950 -4.978 629 3HG2 ILE 79 3HG2 ILE 79 5.812 -6.271 -4.967 630 1HD1 ILE 79 1HD1 ILE 79 4.838 -4.418 -0.858 631 2HD1 ILE 79 2HD1 ILE 79 6.587 -4.190 -0.821 632 3HD1 ILE 79 3HD1 ILE 79 5.895 -5.578 -1.661 633 H THR 80 H THR 80 5.766 -4.633 -7.104 634 HA THR 80 HA THR 80 3.984 -6.617 -7.781 635 HB THR 80 HB THR 80 3.098 -5.025 -9.877 636 HG1 THR 80 1HG THR 80 2.339 -3.560 -7.641 637 1HG2 THR 80 1HG2 THR 80 1.926 -6.749 -8.268 638 2HG2 THR 80 2HG2 THR 80 1.008 -5.571 -9.202 639 3HG2 THR 80 3HG2 THR 80 1.348 -5.271 -7.500 640 H GLY 81 H GLY 81 5.406 -7.832 -8.828 641 1HA GLY 81 2HA GLY 81 7.068 -6.547 -10.908 642 2HA GLY 81 1HA GLY 81 7.615 -7.893 -9.919 643 H HIS 82 H HIS 82 5.492 -6.929 -12.539 644 HA HIS 82 HA HIS 82 5.330 -9.757 -13.352 645 1HB HIS 82 2HB HIS 82 3.161 -8.519 -12.588 646 2HB HIS 82 1HB HIS 82 3.259 -7.744 -14.166 647 HD1 HIS 82 1HD HIS 82 0.838 -9.234 -14.090 648 HD2 HIS 82 2HD HIS 82 4.427 -11.209 -14.785 649 HE1 HIS 82 1HE HIS 82 0.207 -11.406 -15.187 650 HE2 HIS 82 2HE HIS 82 2.389 -12.622 -15.522 651 H GLY 83 H GLY 83 7.365 -7.791 -14.045 652 1HA GLY 83 2HA GLY 83 8.568 -7.768 -16.100 653 2HA GLY 83 1HA GLY 83 7.046 -7.933 -16.960 654 H SER 84 H SER 84 7.850 -5.634 -14.393 655 HA SER 84 HA SER 84 7.898 -3.455 -16.339 656 1HB SER 84 2HB SER 84 6.342 -2.166 -14.720 657 2HB SER 84 1HB SER 84 5.614 -3.348 -15.807 658 HG SER 84 HG SER 84 4.880 -4.266 -14.080 659 H VAL 85 H VAL 85 9.909 -2.740 -15.941 660 HA VAL 85 HA VAL 85 10.785 -2.390 -13.165 661 HB VAL 85 HB VAL 85 13.024 -1.892 -14.235 662 1HG1 VAL 85 1HG1 VAL 85 13.162 -4.422 -15.074 663 2HG1 VAL 85 2HG1 VAL 85 11.611 -4.492 -14.238 664 3HG1 VAL 85 3HG1 VAL 85 13.059 -3.988 -13.367 665 1HG2 VAL 85 1HG2 VAL 85 13.364 -1.986 -16.466 666 2HG2 VAL 85 2HG2 VAL 85 11.646 -1.595 -16.530 667 3HG2 VAL 85 3HG2 VAL 85 12.175 -3.268 -16.701 668 H ASP 86 H ASP 86 9.922 -0.612 -16.030 669 HA ASP 86 HA ASP 86 10.978 1.891 -15.034 670 1HB ASP 86 2HB ASP 86 10.958 1.418 -17.451 671 2HB ASP 86 1HB ASP 86 9.199 1.338 -17.419 672 H THR 87 H THR 87 8.453 0.124 -14.053 673 HA THR 87 HA THR 87 6.535 2.314 -13.836 674 HB THR 87 HB THR 87 6.009 -0.245 -14.278 675 HG1 THR 87 1HG THR 87 4.022 0.328 -13.860 676 1HG2 THR 87 1HG2 THR 87 7.107 -0.922 -12.081 677 2HG2 THR 87 2HG2 THR 87 5.501 -1.565 -12.420 678 3HG2 THR 87 3HG2 THR 87 5.692 -0.219 -11.298 679 H ALA 88 H ALA 88 8.693 0.347 -11.929 680 HA ALA 88 HA ALA 88 7.999 1.179 -9.355 681 1HB ALA 88 1HB ALA 88 10.515 0.683 -8.931 682 2HB ALA 88 2HB ALA 88 10.513 0.147 -10.611 683 3HB ALA 88 3HB ALA 88 9.454 -0.633 -9.439 684 H VAL 89 H VAL 89 10.612 2.347 -11.442 685 HA VAL 89 HA VAL 89 11.365 4.523 -9.855 686 HB VAL 89 HB VAL 89 12.583 5.337 -11.774 687 1HG1 VAL 89 1HG1 VAL 89 13.020 2.980 -10.579 688 2HG1 VAL 89 2HG1 VAL 89 14.067 3.627 -11.842 689 3HG1 VAL 89 3HG1 VAL 89 12.835 2.430 -12.244 690 1HG2 VAL 89 1HG2 VAL 89 12.320 4.360 -13.997 691 2HG2 VAL 89 2HG2 VAL 89 10.815 5.101 -13.454 692 3HG2 VAL 89 3HG2 VAL 89 11.002 3.349 -13.407 693 H LYS 90 H LYS 90 8.741 4.137 -12.109 694 HA LYS 90 HA LYS 90 8.292 6.967 -12.430 695 1HB LYS 90 2HB LYS 90 7.722 5.372 -14.212 696 2HB LYS 90 1HB LYS 90 6.527 4.629 -13.156 697 1HG LYS 90 2HG LYS 90 5.116 6.476 -13.249 698 2HG LYS 90 1HG LYS 90 6.396 7.542 -13.829 699 1HD LYS 90 2HD LYS 90 6.274 5.585 -15.768 700 2HD LYS 90 1HD LYS 90 4.583 5.814 -15.318 701 1HE LYS 90 2HE LYS 90 4.911 7.367 -17.022 702 2HE LYS 90 1HE LYS 90 5.078 8.325 -15.551 703 1HZ LYS 90 1HZ LYS 90 6.832 8.407 -17.523 704 2HZ LYS 90 2HZ LYS 90 7.514 7.147 -16.625 705 3HZ LYS 90 3HZ LYS 90 7.267 8.659 -15.908 706 H ALA 91 H ALA 91 7.425 4.593 -10.115 707 HA ALA 91 HA ALA 91 5.248 6.297 -9.111 708 1HB ALA 91 1HB ALA 91 4.554 4.301 -7.810 709 2HB ALA 91 2HB ALA 91 5.834 3.386 -8.604 710 3HB ALA 91 3HB ALA 91 4.510 4.057 -9.556 711 H ILE 92 H ILE 92 8.337 4.869 -8.295 712 HA ILE 92 HA ILE 92 8.150 5.628 -5.518 713 HB ILE 92 HB ILE 92 10.234 4.626 -5.171 714 1HG1 ILE 92 2HG1 ILE 92 10.730 4.887 -8.146 715 2HG1 ILE 92 1HG1 ILE 92 11.535 5.789 -6.869 716 1HG2 ILE 92 1HG2 ILE 92 10.007 2.617 -7.045 717 2HG2 ILE 92 2HG2 ILE 92 8.375 3.273 -6.956 718 3HG2 ILE 92 3HG2 ILE 92 9.171 2.693 -5.496 719 1HD1 ILE 92 1HD1 ILE 92 12.512 3.690 -6.040 720 2HD1 ILE 92 2HD1 ILE 92 12.980 4.049 -7.702 721 3HD1 ILE 92 3HD1 ILE 92 11.748 2.830 -7.376 722 H LYS 93 H LYS 93 9.259 7.065 -8.451 723 HA LYS 93 HA LYS 93 11.082 8.929 -7.323 724 1HB LYS 93 2HB LYS 93 10.987 10.061 -9.455 725 2HB LYS 93 1HB LYS 93 11.033 8.326 -9.733 726 1HG LYS 93 2HG LYS 93 8.723 8.267 -10.281 727 2HG LYS 93 1HG LYS 93 8.488 9.927 -9.729 728 1HD LYS 93 2HD LYS 93 10.512 10.102 -11.631 729 2HD LYS 93 1HD LYS 93 9.369 8.938 -12.307 730 1HE LYS 93 2HE LYS 93 7.548 10.600 -11.803 731 2HE LYS 93 1HE LYS 93 8.816 11.762 -11.416 732 1HZ LYS 93 1HZ LYS 93 9.675 11.079 -13.767 733 2HZ LYS 93 2HZ LYS 93 8.445 12.229 -13.607 734 3HZ LYS 93 3HZ LYS 93 8.061 10.633 -14.015 735 H LYS 94 H LYS 94 7.622 8.928 -7.901 736 HA LYS 94 HA LYS 94 7.088 11.640 -7.501 737 1HB LYS 94 2HB LYS 94 5.505 9.135 -7.236 738 2HB LYS 94 1HB LYS 94 4.831 10.628 -6.597 739 1HG LYS 94 2HG LYS 94 5.861 10.469 -9.403 740 2HG LYS 94 1HG LYS 94 4.229 9.942 -8.989 741 1HD LYS 94 2HD LYS 94 3.544 12.054 -9.108 742 2HD LYS 94 1HD LYS 94 4.615 12.458 -7.765 743 1HE LYS 94 2HE LYS 94 5.701 12.272 -10.544 744 2HE LYS 94 1HE LYS 94 4.837 13.721 -10.032 745 1HZ LYS 94 1HZ LYS 94 6.932 14.292 -9.424 746 2HZ LYS 94 2HZ LYS 94 7.432 12.698 -9.161 747 3HZ LYS 94 3HZ LYS 94 6.484 13.490 -8.004 748 H GLY 95 H GLY 95 7.839 9.107 -5.249 749 1HA GLY 95 2HA GLY 95 8.805 10.201 -3.145 750 2HA GLY 95 1HA GLY 95 7.200 10.901 -3.001 751 H ALA 96 H ALA 96 7.919 7.608 -4.069 752 HA ALA 96 HA ALA 96 6.237 6.608 -1.917 753 1HB ALA 96 1HB ALA 96 5.821 4.788 -3.204 754 2HB ALA 96 2HB ALA 96 7.467 4.717 -3.832 755 3HB ALA 96 3HB ALA 96 6.321 5.885 -4.491 756 H TYR 97 H TYR 97 7.286 4.061 -1.583 757 HA TYR 97 HA TYR 97 9.789 4.663 -0.161 758 1HB TYR 97 2HB TYR 97 7.871 4.075 1.271 759 2HB TYR 97 1HB TYR 97 7.730 2.533 0.436 760 HD1 TYR 97 1HD TYR 97 10.341 4.532 2.223 761 HD2 TYR 97 2HD TYR 97 8.660 0.697 1.468 762 HE1 TYR 97 1HE TYR 97 11.921 3.531 3.819 763 HE2 TYR 97 2HE TYR 97 10.235 -0.314 3.062 764 HH TYR 97 HH TYR 97 12.917 0.886 4.011 765 H GLU 98 H GLU 98 9.416 3.774 -2.963 766 HA GLU 98 HA GLU 98 10.781 2.604 -4.383 767 1HB GLU 98 2HB GLU 98 12.597 1.453 -3.659 768 2HB GLU 98 1HB GLU 98 12.226 2.289 -2.164 769 1HG GLU 98 2HG GLU 98 10.753 0.071 -1.803 770 2HG GLU 98 1HG GLU 98 12.018 -0.579 -2.845 771 H PHE 99 H PHE 99 10.838 0.482 -5.414 772 HA PHE 99 HA PHE 99 8.269 -0.868 -5.070 773 1HB PHE 99 2HB PHE 99 9.842 -0.117 -7.306 774 2HB PHE 99 1HB PHE 99 9.787 -1.874 -7.288 775 HD1 PHE 99 1HD PHE 99 8.145 -2.802 -8.573 776 HD2 PHE 99 2HD PHE 99 7.405 0.944 -6.694 777 HE1 PHE 99 1HE PHE 99 5.909 -2.735 -9.599 778 HE2 PHE 99 2HE PHE 99 5.170 1.020 -7.719 779 HZ PHE 99 HZ PHE 99 4.418 -0.822 -9.171 780 H LEU 100 H LEU 100 8.591 -2.258 -3.361 781 HA LEU 100 HA LEU 100 10.806 -3.738 -2.722 782 1HB LEU 100 2HB LEU 100 8.627 -3.483 -1.467 783 2HB LEU 100 1HB LEU 100 7.988 -4.755 -2.490 784 HG LEU 100 HG LEU 100 9.681 -6.304 -1.626 785 1HD1 LEU 100 1HD1 LEU 100 11.548 -5.188 -0.949 786 2HD1 LEU 100 2HD1 LEU 100 10.739 -5.351 0.610 787 3HD1 LEU 100 3HD1 LEU 100 10.632 -3.835 -0.284 788 1HD2 LEU 100 1HD2 LEU 100 8.726 -6.560 0.573 789 2HD2 LEU 100 2HD2 LEU 100 7.475 -6.099 -0.580 790 3HD2 LEU 100 3HD2 LEU 100 8.130 -4.899 0.533 791 H GLU 101 H GLU 101 11.938 -4.724 -4.333 792 HA GLU 101 HA GLU 101 10.527 -6.666 -6.024 793 1HB GLU 101 2HB GLU 101 12.506 -6.594 -7.470 794 2HB GLU 101 1HB GLU 101 11.835 -4.987 -7.229 795 1HG GLU 101 2HG GLU 101 13.688 -5.192 -5.211 796 2HG GLU 101 1HG GLU 101 14.457 -6.041 -6.551 797 H LYS 102 H LYS 102 10.414 -8.105 -4.137 798 HA LYS 102 HA LYS 102 12.696 -9.894 -4.113 799 1HB LYS 102 2HB LYS 102 11.914 -8.208 -1.805 800 2HB LYS 102 1HB LYS 102 12.259 -9.896 -1.449 801 1HG LYS 102 2HG LYS 102 14.473 -9.714 -2.078 802 2HG LYS 102 1HG LYS 102 14.180 -8.285 -3.072 803 1HD LYS 102 2HD LYS 102 13.548 -7.952 -0.223 804 2HD LYS 102 1HD LYS 102 15.253 -8.245 -0.570 805 1HE LYS 102 2HE LYS 102 15.524 -6.247 -1.581 806 2HE LYS 102 1HE LYS 102 13.928 -6.295 -2.329 807 1HZ LYS 102 1HZ LYS 102 13.201 -5.944 0.166 808 2HZ LYS 102 2HZ LYS 102 13.599 -4.640 -0.835 809 3HZ LYS 102 3HZ LYS 102 14.733 -5.232 0.270 810 HA PRO 103 HA PRO 103 8.330 -11.732 -3.930 811 1HB PRO 103 2HB PRO 103 8.683 -13.298 -6.157 812 2HB PRO 103 1HB PRO 103 7.962 -11.686 -6.186 813 1HG PRO 103 2HG PRO 103 10.768 -12.519 -6.815 814 2HG PRO 103 1HG PRO 103 9.728 -11.356 -7.660 815 1HD PRO 103 2HD PRO 103 11.663 -10.551 -5.981 816 2HD PRO 103 1HD PRO 103 10.118 -9.685 -6.102 817 H PHE 104 H PHE 104 9.111 -12.804 -2.050 818 HA PHE 104 HA PHE 104 10.363 -15.418 -2.594 819 1HB PHE 104 2HB PHE 104 10.934 -13.368 -0.556 820 2HB PHE 104 1HB PHE 104 10.829 -15.011 0.067 821 HD1 PHE 104 1HD PHE 104 12.807 -12.640 -1.773 822 HD2 PHE 104 2HD PHE 104 12.325 -16.774 -0.886 823 HE1 PHE 104 1HE PHE 104 15.109 -13.066 -2.528 824 HE2 PHE 104 2HE PHE 104 14.626 -17.208 -1.637 825 HZ PHE 104 HZ PHE 104 16.022 -15.353 -2.461 826 H SER 105 H SER 105 8.664 -13.967 0.174 827 HA SER 105 HA SER 105 6.397 -15.707 -0.119 828 1HB SER 105 2HB SER 105 6.744 -16.747 2.178 829 2HB SER 105 1HB SER 105 7.795 -17.348 0.897 830 HG SER 105 HG SER 105 8.470 -16.184 3.207 831 H VAL 106 H VAL 106 6.637 -12.958 -0.079 832 HA VAL 106 HA VAL 106 5.925 -11.035 0.902 833 HB VAL 106 HB VAL 106 3.785 -12.106 0.551 834 1HG1 VAL 106 1HG1 VAL 106 4.246 -13.357 3.247 835 2HG1 VAL 106 2HG1 VAL 106 4.003 -14.170 1.702 836 3HG1 VAL 106 3HG1 VAL 106 2.673 -13.294 2.454 837 1HG2 VAL 106 1HG2 VAL 106 3.245 -11.056 3.227 838 2HG2 VAL 106 2HG2 VAL 106 2.668 -10.509 1.653 839 3HG2 VAL 106 3HG2 VAL 106 4.259 -10.013 2.230 840 H GLU 107 H GLU 107 7.824 -12.871 2.574 841 HA GLU 107 HA GLU 107 7.211 -12.035 5.263 842 1HB GLU 107 2HB GLU 107 8.556 -14.155 4.289 843 2HB GLU 107 1HB GLU 107 9.900 -13.070 4.612 844 1HG GLU 107 2HG GLU 107 7.923 -13.316 6.769 845 2HG GLU 107 1HG GLU 107 8.853 -14.771 6.415 846 H ARG 108 H ARG 108 9.557 -11.279 2.724 847 HA ARG 108 HA ARG 108 11.027 -9.347 4.157 848 1HB ARG 108 2HB ARG 108 10.529 -9.587 1.180 849 2HB ARG 108 1HB ARG 108 11.733 -8.536 1.914 850 1HG ARG 108 2HG ARG 108 11.759 -11.477 2.446 851 2HG ARG 108 1HG ARG 108 12.462 -10.819 0.969 852 1HD ARG 108 2HD ARG 108 13.203 -9.979 3.770 853 2HD ARG 108 1HD ARG 108 14.117 -11.112 2.778 854 HE ARG 108 HE ARG 108 14.812 -9.347 1.418 855 1HH1 ARG 108 1HH1 ARG 108 12.665 -8.224 3.939 856 2HH1 ARG 108 2HH1 ARG 108 13.112 -6.563 3.745 857 1HH2 ARG 108 1HH2 ARG 108 15.391 -7.165 1.166 858 2HH2 ARG 108 2HH2 ARG 108 14.655 -5.961 2.171 859 H PHE 109 H PHE 109 8.054 -9.252 2.314 860 HA PHE 109 HA PHE 109 7.745 -6.450 2.175 861 1HB PHE 109 2HB PHE 109 6.365 -7.768 0.748 862 2HB PHE 109 1HB PHE 109 5.791 -8.753 2.085 863 HD1 PHE 109 1HD PHE 109 5.975 -5.108 2.393 864 HD2 PHE 109 2HD PHE 109 3.480 -8.430 1.468 865 HE1 PHE 109 1HE PHE 109 3.989 -3.672 2.603 866 HE2 PHE 109 2HE PHE 109 1.492 -7.000 1.676 867 HZ PHE 109 HZ PHE 109 1.742 -4.620 2.246 868 H LEU 110 H LEU 110 6.628 -8.890 4.502 869 HA LEU 110 HA LEU 110 5.162 -7.331 6.229 870 1HB LEU 110 2HB LEU 110 6.271 -9.877 6.262 871 2HB LEU 110 1HB LEU 110 6.886 -9.095 7.706 872 HG LEU 110 HG LEU 110 4.004 -9.530 6.953 873 1HD1 LEU 110 1HD1 LEU 110 5.780 -10.545 9.153 874 2HD1 LEU 110 2HD1 LEU 110 4.970 -11.476 7.893 875 3HD1 LEU 110 3HD1 LEU 110 4.023 -10.704 9.165 876 1HD2 LEU 110 1HD2 LEU 110 4.056 -7.361 7.906 877 2HD2 LEU 110 2HD2 LEU 110 5.207 -7.856 9.146 878 3HD2 LEU 110 3HD2 LEU 110 3.551 -8.458 9.191 879 H LEU 111 H LEU 111 8.648 -7.607 5.936 880 HA LEU 111 HA LEU 111 9.300 -6.086 8.239 881 1HB LEU 111 2HB LEU 111 10.783 -6.943 5.796 882 2HB LEU 111 1HB LEU 111 11.497 -5.758 6.873 883 HG LEU 111 HG LEU 111 11.000 -7.537 8.721 884 1HD1 LEU 111 1HD1 LEU 111 10.623 -9.036 6.187 885 2HD1 LEU 111 2HD1 LEU 111 9.839 -9.242 7.753 886 3HD1 LEU 111 3HD1 LEU 111 11.482 -9.833 7.505 887 1HD2 LEU 111 1HD2 LEU 111 13.224 -6.733 7.512 888 2HD2 LEU 111 2HD2 LEU 111 13.202 -8.398 6.932 889 3HD2 LEU 111 3HD2 LEU 111 13.210 -8.068 8.664 890 H THR 112 H THR 112 8.999 -5.284 4.795 891 HA THR 112 HA THR 112 9.798 -2.668 4.757 892 HB THR 112 HB THR 112 7.393 -3.838 3.339 893 HG1 THR 112 1HG THR 112 10.070 -3.560 2.449 894 1HG2 THR 112 1HG2 THR 112 8.768 -1.911 1.780 895 2HG2 THR 112 2HG2 THR 112 8.341 -1.180 3.326 896 3HG2 THR 112 3HG2 THR 112 7.089 -1.907 2.320 897 H ILE 113 H ILE 113 6.706 -3.965 5.851 898 HA ILE 113 HA ILE 113 5.400 -1.511 6.324 899 HB ILE 113 HB ILE 113 5.057 -4.273 7.488 900 1HG1 ILE 113 2HG1 ILE 113 4.333 -4.043 5.200 901 2HG1 ILE 113 1HG1 ILE 113 2.906 -4.146 6.227 902 1HG2 ILE 113 1HG2 ILE 113 3.472 -1.800 8.146 903 2HG2 ILE 113 2HG2 ILE 113 4.397 -2.809 9.256 904 3HG2 ILE 113 3HG2 ILE 113 2.938 -3.443 8.496 905 1HD1 ILE 113 1HD1 ILE 113 2.908 -1.587 6.146 906 2HD1 ILE 113 2HD1 ILE 113 2.399 -2.468 4.706 907 3HD1 ILE 113 3HD1 ILE 113 4.017 -1.772 4.788 908 H LYS 114 H LYS 114 6.773 -3.745 8.735 909 HA LYS 114 HA LYS 114 6.807 -1.962 10.876 910 1HB LYS 114 2HB LYS 114 7.089 -4.319 11.258 911 2HB LYS 114 1HB LYS 114 8.553 -4.355 10.285 912 1HG LYS 114 2HG LYS 114 8.553 -2.539 12.616 913 2HG LYS 114 1HG LYS 114 8.571 -4.271 12.950 914 1HD LYS 114 2HD LYS 114 10.714 -4.445 12.356 915 2HD LYS 114 1HD LYS 114 10.428 -3.588 10.840 916 1HE LYS 114 2HE LYS 114 11.602 -1.894 11.671 917 2HE LYS 114 1HE LYS 114 10.288 -1.626 12.815 918 1HZ LYS 114 1HZ LYS 114 12.043 -1.884 14.227 919 2HZ LYS 114 2HZ LYS 114 12.861 -2.970 13.222 920 3HZ LYS 114 3HZ LYS 114 11.533 -3.494 14.127 921 H HIS 115 H HIS 115 8.709 -1.967 8.071 922 HA HIS 115 HA HIS 115 10.939 -0.539 9.271 923 1HB HIS 115 2HB HIS 115 10.980 -2.266 7.270 924 2HB HIS 115 1HB HIS 115 10.635 -0.823 6.323 925 HD1 HIS 115 1HD HIS 115 12.916 -0.732 5.186 926 HD2 HIS 115 2HD HIS 115 13.137 -0.710 9.335 927 HE1 HIS 115 1HE HIS 115 15.305 -0.165 5.728 928 HE2 HIS 115 2HE HIS 115 15.430 -0.220 8.244 929 H ALA 116 H ALA 116 8.067 -0.004 7.393 930 HA ALA 116 HA ALA 116 8.665 2.735 6.726 931 1HB ALA 116 1HB ALA 116 6.020 2.540 6.289 932 2HB ALA 116 2HB ALA 116 6.459 0.832 6.240 933 3HB ALA 116 3HB ALA 116 7.235 1.974 5.143 934 H PHE 117 H PHE 117 6.898 0.989 9.192 935 HA PHE 117 HA PHE 117 5.546 3.222 10.311 936 1HB PHE 117 2HB PHE 117 6.103 0.411 11.168 937 2HB PHE 117 1HB PHE 117 5.514 1.560 12.363 938 HD1 PHE 117 1HD PHE 117 3.488 3.073 11.266 939 HD2 PHE 117 2HD PHE 117 4.485 -0.953 10.310 940 HE1 PHE 117 1HE PHE 117 1.178 2.682 10.518 941 HE2 PHE 117 2HE PHE 117 2.174 -1.348 9.557 942 HZ PHE 117 HZ PHE 117 0.519 0.474 9.659 943 H GLU 118 H GLU 118 8.719 1.830 10.751 944 HA GLU 118 HA GLU 118 9.221 3.553 13.058 945 1HB GLU 118 2HB GLU 118 10.096 0.964 12.297 946 2HB GLU 118 1HB GLU 118 11.504 2.009 12.415 947 1HG GLU 118 2HG GLU 118 9.472 1.977 14.599 948 2HG GLU 118 1HG GLU 118 10.689 0.706 14.495 949 H GLU 119 H GLU 119 10.302 3.007 9.752 950 HA GLU 119 HA GLU 119 12.307 5.106 9.995 951 1HB GLU 119 2HB GLU 119 11.582 3.521 7.532 952 2HB GLU 119 1HB GLU 119 13.038 4.467 7.800 953 1HG GLU 119 2HG GLU 119 12.709 2.468 9.850 954 2HG GLU 119 1HG GLU 119 12.693 1.747 8.242 955 H TYR 120 H TYR 120 9.260 5.514 9.987 956 HA TYR 120 HA TYR 120 9.338 7.876 8.330 957 1HB TYR 120 2HB TYR 120 8.367 5.607 7.143 958 2HB TYR 120 1HB TYR 120 6.900 6.330 7.793 959 HD1 TYR 120 1HD TYR 120 6.718 8.959 7.327 960 HD2 TYR 120 2HD TYR 120 8.998 6.213 5.011 961 HE1 TYR 120 1HE TYR 120 6.635 10.507 5.418 962 HE2 TYR 120 2HE TYR 120 8.922 7.755 3.098 963 HH TYR 120 HH TYR 120 6.818 10.331 2.894 964 H SER 121 H SER 121 9.192 7.475 11.120 965 HA SER 121 HA SER 121 6.730 8.917 11.669 966 1HB SER 121 2HB SER 121 6.613 6.250 12.052 967 2HB SER 121 1HB SER 121 7.276 6.741 13.610 968 HG SER 121 HG SER 121 5.477 8.326 13.600 Start of MODEL 9 1 1H MET 1 1HT MET 1 -2.908 -2.038 17.278 2 2H MET 1 2HT MET 1 -4.173 -0.975 16.814 3 3H MET 1 3HT MET 1 -3.438 -0.817 18.357 4 HA MET 1 HA MET 1 -2.774 0.816 16.622 5 1HB MET 1 2HB MET 1 -0.426 0.718 17.383 6 2HB MET 1 1HB MET 1 -1.560 0.470 18.704 7 1HG MET 1 2HG MET 1 -1.053 -1.784 18.887 8 2HG MET 1 1HG MET 1 -0.367 -1.862 17.266 9 1HE MET 1 1HE MET 1 1.576 -2.363 16.935 10 2HE MET 1 2HE MET 1 2.511 -2.904 18.329 11 3HE MET 1 3HE MET 1 3.031 -1.488 17.414 12 H LYS 2 H LYS 2 -0.894 1.114 15.088 13 HA LYS 2 HA LYS 2 0.086 0.688 13.084 14 1HB LYS 2 2HB LYS 2 0.258 -1.869 14.525 15 2HB LYS 2 1HB LYS 2 0.445 -1.974 12.780 16 1HG LYS 2 2HG LYS 2 2.588 -1.749 13.958 17 2HG LYS 2 1HG LYS 2 2.284 -0.421 12.836 18 1HD LYS 2 2HD LYS 2 1.758 1.072 14.590 19 2HD LYS 2 1HD LYS 2 1.623 -0.238 15.765 20 1HE LYS 2 2HE LYS 2 3.720 0.297 16.332 21 2HE LYS 2 1HE LYS 2 4.182 -0.546 14.853 22 1HZ LYS 2 1HZ LYS 2 5.178 1.415 14.430 23 2HZ LYS 2 2HZ LYS 2 4.145 2.303 15.432 24 3HZ LYS 2 3HZ LYS 2 3.641 1.858 13.878 25 H ARG 3 H ARG 3 -1.222 1.148 11.439 26 HA ARG 3 HA ARG 3 -3.007 -0.966 10.461 27 1HB ARG 3 2HB ARG 3 -3.842 1.929 10.460 28 2HB ARG 3 1HB ARG 3 -4.831 0.512 10.134 29 1HG ARG 3 2HG ARG 3 -5.521 0.980 12.246 30 2HG ARG 3 1HG ARG 3 -4.167 -0.089 12.616 31 1HD ARG 3 2HD ARG 3 -2.738 1.759 13.086 32 2HD ARG 3 1HD ARG 3 -3.921 2.908 12.463 33 HE ARG 3 HE ARG 3 -5.113 1.509 14.559 34 1HH1 ARG 3 1HH1 ARG 3 -2.497 3.768 14.067 35 2HH1 ARG 3 2HH1 ARG 3 -2.625 4.453 15.653 36 1HH2 ARG 3 1HH2 ARG 3 -5.281 2.410 16.644 37 2HH2 ARG 3 2HH2 ARG 3 -4.205 3.682 17.115 38 H VAL 4 H VAL 4 -2.495 -1.431 8.425 39 HA VAL 4 HA VAL 4 -1.313 0.699 6.760 40 HB VAL 4 HB VAL 4 -0.877 -2.270 6.443 41 1HG1 VAL 4 1HG1 VAL 4 1.169 -1.239 5.165 42 2HG1 VAL 4 2HG1 VAL 4 0.110 0.164 5.035 43 3HG1 VAL 4 3HG1 VAL 4 -0.400 -1.389 4.376 44 1HG2 VAL 4 1HG2 VAL 4 1.036 -0.257 7.616 45 2HG2 VAL 4 2HG2 VAL 4 1.266 -2.001 7.480 46 3HG2 VAL 4 3HG2 VAL 4 0.047 -1.354 8.578 47 H LEU 5 H LEU 5 -1.746 0.562 4.449 48 HA LEU 5 HA LEU 5 -4.425 -0.531 3.924 49 1HB LEU 5 2HB LEU 5 -4.214 1.926 3.779 50 2HB LEU 5 1HB LEU 5 -2.998 1.734 2.532 51 HG LEU 5 HG LEU 5 -4.693 0.640 1.089 52 1HD1 LEU 5 1HD1 LEU 5 -6.781 0.158 1.750 53 2HD1 LEU 5 2HD1 LEU 5 -6.932 1.633 2.705 54 3HD1 LEU 5 3HD1 LEU 5 -6.093 0.233 3.371 55 1HD2 LEU 5 1HD2 LEU 5 -5.369 3.396 2.108 56 2HD2 LEU 5 2HD2 LEU 5 -5.977 2.696 0.607 57 3HD2 LEU 5 3HD2 LEU 5 -4.251 2.994 0.805 58 H VAL 6 H VAL 6 -4.676 -2.049 2.415 59 HA VAL 6 HA VAL 6 -2.373 -2.627 0.661 60 HB VAL 6 HB VAL 6 -4.468 -4.599 1.565 61 1HG1 VAL 6 1HG1 VAL 6 -3.511 -5.277 -0.501 62 2HG1 VAL 6 2HG1 VAL 6 -2.742 -6.239 0.761 63 3HG1 VAL 6 3HG1 VAL 6 -1.884 -4.873 0.047 64 1HG2 VAL 6 1HG2 VAL 6 -3.274 -5.109 3.394 65 2HG2 VAL 6 2HG2 VAL 6 -2.571 -3.506 3.189 66 3HG2 VAL 6 3HG2 VAL 6 -1.732 -4.922 2.558 67 H VAL 7 H VAL 7 -3.068 -1.321 -1.054 68 HA VAL 7 HA VAL 7 -5.696 -1.742 -2.190 69 HB VAL 7 HB VAL 7 -3.427 -0.125 -3.356 70 1HG1 VAL 7 1HG1 VAL 7 -6.392 -0.216 -3.860 71 2HG1 VAL 7 2HG1 VAL 7 -5.080 -0.508 -5.003 72 3HG1 VAL 7 3HG1 VAL 7 -5.370 1.120 -4.389 73 1HG2 VAL 7 1HG2 VAL 7 -5.469 0.566 -1.275 74 2HG2 VAL 7 2HG2 VAL 7 -4.792 1.806 -2.331 75 3HG2 VAL 7 3HG2 VAL 7 -3.733 0.871 -1.275 76 H ASP 8 H ASP 8 -6.117 -3.409 -3.439 77 HA ASP 8 HA ASP 8 -4.281 -4.131 -5.570 78 1HB ASP 8 2HB ASP 8 -3.498 -5.587 -3.815 79 2HB ASP 8 1HB ASP 8 -5.141 -6.078 -3.418 80 H ASP 9 H ASP 9 -5.299 -5.041 -7.332 81 HA ASP 9 HA ASP 9 -8.187 -4.784 -7.362 82 1HB ASP 9 2HB ASP 9 -6.871 -3.809 -9.192 83 2HB ASP 9 1HB ASP 9 -6.243 -5.401 -9.602 84 H GLU 10 H GLU 10 -7.626 -6.832 -5.746 85 HA GLU 10 HA GLU 10 -8.375 -9.185 -7.346 86 1HB GLU 10 2HB GLU 10 -5.983 -8.977 -6.090 87 2HB GLU 10 1HB GLU 10 -6.949 -9.697 -4.811 88 1HG GLU 10 2HG GLU 10 -7.344 -10.990 -7.384 89 2HG GLU 10 1HG GLU 10 -5.669 -11.041 -6.836 90 H GLU 11 H GLU 11 -9.558 -7.026 -5.266 91 HA GLU 11 HA GLU 11 -11.335 -6.968 -3.849 92 1HB GLU 11 2HB GLU 11 -11.743 -9.438 -5.413 93 2HB GLU 11 1HB GLU 11 -12.624 -9.361 -3.893 94 1HG GLU 11 2HG GLU 11 -14.139 -8.030 -4.791 95 2HG GLU 11 1HG GLU 11 -12.896 -6.869 -5.254 96 H SER 12 H SER 12 -11.912 -7.499 -1.723 97 HA SER 12 HA SER 12 -11.468 -8.133 0.419 98 1HB SER 12 2HB SER 12 -10.630 -10.801 -0.709 99 2HB SER 12 1HB SER 12 -11.402 -10.463 0.839 100 HG SER 12 HG SER 12 -12.526 -10.429 -1.748 101 H ILE 13 H ILE 13 -9.690 -9.371 1.830 102 HA ILE 13 HA ILE 13 -7.351 -7.905 1.689 103 HB ILE 13 HB ILE 13 -7.387 -10.687 2.827 104 1HG1 ILE 13 2HG1 ILE 13 -9.434 -9.697 3.641 105 2HG1 ILE 13 1HG1 ILE 13 -8.251 -9.669 4.943 106 1HG2 ILE 13 1HG2 ILE 13 -5.263 -9.793 3.043 107 2HG2 ILE 13 2HG2 ILE 13 -6.010 -9.427 4.598 108 3HG2 ILE 13 3HG2 ILE 13 -5.871 -8.170 3.369 109 1HD1 ILE 13 1HD1 ILE 13 -8.194 -7.429 5.016 110 2HD1 ILE 13 2HD1 ILE 13 -9.774 -7.572 4.247 111 3HD1 ILE 13 3HD1 ILE 13 -8.342 -7.258 3.268 112 H THR 14 H THR 14 -5.122 -8.729 1.360 113 HA THR 14 HA THR 14 -4.962 -10.079 -1.198 114 HB THR 14 HB THR 14 -2.534 -9.495 -1.056 115 HG1 THR 14 1HG THR 14 -3.262 -8.087 1.289 116 1HG2 THR 14 1HG2 THR 14 -2.747 -7.126 -1.332 117 2HG2 THR 14 2HG2 THR 14 -4.297 -7.123 -0.492 118 3HG2 THR 14 3HG2 THR 14 -4.148 -7.909 -2.063 119 H SER 15 H SER 15 -3.439 -11.868 -1.551 120 HA SER 15 HA SER 15 -3.833 -13.915 0.379 121 1HB SER 15 2HB SER 15 -3.355 -13.881 -2.312 122 2HB SER 15 1HB SER 15 -1.800 -14.422 -1.684 123 HG SER 15 HG SER 15 -3.133 -15.965 -0.414 124 H SER 16 H SER 16 -2.515 -14.785 1.857 125 HA SER 16 HA SER 16 -0.692 -15.188 3.160 126 1HB SER 16 2HB SER 16 1.053 -13.553 1.341 127 2HB SER 16 1HB SER 16 1.475 -14.964 2.312 128 HG SER 16 HG SER 16 1.184 -15.984 0.494 129 H LEU 17 H LEU 17 -2.063 -12.247 2.677 130 HA LEU 17 HA LEU 17 -0.228 -10.738 4.356 131 1HB LEU 17 2HB LEU 17 -1.934 -10.028 2.324 132 2HB LEU 17 1HB LEU 17 -2.837 -9.542 3.742 133 HG LEU 17 HG LEU 17 -0.520 -8.297 2.483 134 1HD1 LEU 17 1HD1 LEU 17 -2.334 -6.925 2.619 135 2HD1 LEU 17 2HD1 LEU 17 -1.456 -6.433 4.068 136 3HD1 LEU 17 3HD1 LEU 17 -2.823 -7.539 4.198 137 1HD2 LEU 17 1HD2 LEU 17 0.184 -7.427 4.863 138 2HD2 LEU 17 2HD2 LEU 17 0.908 -8.882 4.178 139 3HD2 LEU 17 3HD2 LEU 17 -0.382 -9.016 5.372 140 H SER 18 H SER 18 -3.656 -11.693 4.436 141 HA SER 18 HA SER 18 -4.421 -10.783 6.883 142 1HB SER 18 2HB SER 18 -5.721 -12.202 5.132 143 2HB SER 18 1HB SER 18 -5.167 -13.582 6.079 144 HG SER 18 HG SER 18 -7.280 -12.512 6.628 145 H ALA 19 H ALA 19 -2.954 -13.985 6.319 146 HA ALA 19 HA ALA 19 -2.772 -14.809 8.962 147 1HB ALA 19 1HB ALA 19 -2.133 -15.927 6.605 148 2HB ALA 19 2HB ALA 19 -1.604 -16.569 8.160 149 3HB ALA 19 3HB ALA 19 -0.518 -15.553 7.211 150 H ILE 20 H ILE 20 -0.554 -12.833 7.061 151 HA ILE 20 HA ILE 20 1.529 -12.713 8.962 152 HB ILE 20 HB ILE 20 0.781 -10.901 6.669 153 1HG1 ILE 20 2HG1 ILE 20 3.056 -12.850 7.064 154 2HG1 ILE 20 1HG1 ILE 20 1.601 -13.160 6.124 155 1HG2 ILE 20 1HG2 ILE 20 2.881 -10.564 8.743 156 2HG2 ILE 20 2HG2 ILE 20 1.949 -9.350 7.866 157 3HG2 ILE 20 3HG2 ILE 20 3.293 -10.172 7.073 158 1HD1 ILE 20 1HD1 ILE 20 3.677 -12.508 4.843 159 2HD1 ILE 20 2HD1 ILE 20 3.456 -10.889 5.505 160 3HD1 ILE 20 3HD1 ILE 20 2.209 -11.600 4.482 161 H LEU 21 H LEU 21 -0.631 -10.018 8.045 162 HA LEU 21 HA LEU 21 -0.101 -8.314 10.109 163 1HB LEU 21 2HB LEU 21 -2.848 -8.810 8.976 164 2HB LEU 21 1HB LEU 21 -2.277 -7.338 9.744 165 HG LEU 21 HG LEU 21 -0.613 -8.118 7.490 166 1HD1 LEU 21 1HD1 LEU 21 -2.184 -8.724 6.049 167 2HD1 LEU 21 2HD1 LEU 21 -2.775 -7.065 6.122 168 3HD1 LEU 21 3HD1 LEU 21 -3.479 -8.299 7.166 169 1HD2 LEU 21 1HD2 LEU 21 -1.949 -5.701 8.577 170 2HD2 LEU 21 2HD2 LEU 21 -1.445 -5.691 6.887 171 3HD2 LEU 21 3HD2 LEU 21 -0.257 -5.971 8.160 172 H GLU 22 H GLU 22 -2.024 -11.229 10.216 173 HA GLU 22 HA GLU 22 -3.282 -10.726 12.711 174 1HB GLU 22 2HB GLU 22 -3.770 -12.490 10.802 175 2HB GLU 22 1HB GLU 22 -2.754 -13.506 11.814 176 1HG GLU 22 2HG GLU 22 -4.345 -12.680 13.712 177 2HG GLU 22 1HG GLU 22 -5.435 -12.347 12.368 178 H GLU 23 H GLU 23 -0.200 -12.065 11.755 179 HA GLU 23 HA GLU 23 0.386 -13.125 14.374 180 1HB GLU 23 2HB GLU 23 1.388 -14.323 12.609 181 2HB GLU 23 1HB GLU 23 1.921 -12.857 11.800 182 1HG GLU 23 2HG GLU 23 3.845 -12.819 12.906 183 2HG GLU 23 1HG GLU 23 3.064 -13.147 14.451 184 H GLU 24 H GLU 24 1.077 -10.248 12.504 185 HA GLU 24 HA GLU 24 2.938 -9.205 14.446 186 1HB GLU 24 2HB GLU 24 1.734 -8.072 11.932 187 2HB GLU 24 1HB GLU 24 2.796 -7.139 12.979 188 1HG GLU 24 2HG GLU 24 3.595 -9.777 11.788 189 2HG GLU 24 1HG GLU 24 3.862 -8.235 10.975 190 H GLY 25 H GLY 25 -0.420 -8.709 13.524 191 1HA GLY 25 2HA GLY 25 -2.106 -7.992 15.007 192 2HA GLY 25 1HA GLY 25 -0.863 -7.324 16.052 193 H TYR 26 H TYR 26 -1.761 -6.865 12.638 194 HA TYR 26 HA TYR 26 -1.667 -3.961 13.102 195 1HB TYR 26 2HB TYR 26 -1.111 -5.667 10.699 196 2HB TYR 26 1HB TYR 26 -1.551 -3.978 10.496 197 HD1 TYR 26 1HD TYR 26 0.363 -2.872 9.822 198 HD2 TYR 26 2HD TYR 26 0.610 -5.627 13.053 199 HE1 TYR 26 1HE TYR 26 2.698 -2.207 10.201 200 HE2 TYR 26 2HE TYR 26 2.948 -4.968 13.440 201 HH TYR 26 HH TYR 26 4.849 -3.925 11.886 202 H HIS 27 H HIS 27 -3.016 -2.960 11.049 203 HA HIS 27 HA HIS 27 -5.690 -4.173 11.085 204 1HB HIS 27 2HB HIS 27 -5.021 -1.895 12.534 205 2HB HIS 27 1HB HIS 27 -5.769 -1.256 11.075 206 HD1 HIS 27 1HD HIS 27 -6.579 -2.589 14.334 207 HD2 HIS 27 2HD HIS 27 -8.449 -2.431 10.626 208 HE1 HIS 27 1HE HIS 27 -9.013 -3.031 14.788 209 HE2 HIS 27 2HE HIS 27 -10.109 -3.018 12.520 210 HA PRO 28 HA PRO 28 -4.557 -3.107 6.786 211 1HB PRO 28 2HB PRO 28 -5.423 -5.355 5.634 212 2HB PRO 28 1HB PRO 28 -3.891 -5.301 6.515 213 1HG PRO 28 2HG PRO 28 -6.552 -6.343 7.404 214 2HG PRO 28 1HG PRO 28 -4.940 -7.038 7.650 215 1HD PRO 28 2HD PRO 28 -6.301 -5.562 9.535 216 2HD PRO 28 1HD PRO 28 -4.537 -5.740 9.491 217 H ASP 29 H ASP 29 -5.807 -1.917 5.552 218 HA ASP 29 HA ASP 29 -8.710 -2.257 5.767 219 1HB ASP 29 2HB ASP 29 -7.395 -0.006 6.255 220 2HB ASP 29 1HB ASP 29 -7.637 0.199 4.523 221 H THR 30 H THR 30 -6.456 -3.262 3.844 222 HA THR 30 HA THR 30 -6.229 -3.146 1.438 223 HB THR 30 HB THR 30 -6.924 -5.321 0.855 224 HG1 THR 30 1HG THR 30 -9.048 -5.404 1.272 225 1HG2 THR 30 1HG2 THR 30 -5.797 -6.468 2.387 226 2HG2 THR 30 2HG2 THR 30 -6.889 -5.990 3.686 227 3HG2 THR 30 3HG2 THR 30 -5.580 -4.916 3.195 228 H ALA 31 H ALA 31 -6.953 -2.217 -0.314 229 HA ALA 31 HA ALA 31 -9.838 -1.701 -0.577 230 1HB ALA 31 1HB ALA 31 -9.380 0.313 -1.498 231 2HB ALA 31 2HB ALA 31 -7.952 -0.278 -2.347 232 3HB ALA 31 3HB ALA 31 -7.856 0.119 -0.632 233 H LYS 32 H LYS 32 -9.846 -1.090 -3.316 234 HA LYS 32 HA LYS 32 -9.239 -3.718 -4.508 235 1HB LYS 32 2HB LYS 32 -11.421 -1.946 -5.552 236 2HB LYS 32 1HB LYS 32 -11.237 -3.686 -5.711 237 1HG LYS 32 2HG LYS 32 -11.952 -4.066 -3.498 238 2HG LYS 32 1HG LYS 32 -11.797 -2.360 -3.076 239 1HD LYS 32 2HD LYS 32 -13.702 -1.765 -4.291 240 2HD LYS 32 1HD LYS 32 -13.682 -3.261 -5.229 241 1HE LYS 32 2HE LYS 32 -14.182 -4.495 -3.111 242 2HE LYS 32 1HE LYS 32 -14.392 -2.934 -2.318 243 1HZ LYS 32 1HZ LYS 32 -16.031 -2.567 -4.312 244 2HZ LYS 32 2HZ LYS 32 -16.526 -3.384 -2.917 245 3HZ LYS 32 3HZ LYS 32 -16.093 -4.257 -4.300 246 H THR 33 H THR 33 -9.345 -0.238 -5.002 247 HA THR 33 HA THR 33 -7.226 -0.416 -6.941 248 HB THR 33 HB THR 33 -9.577 1.083 -7.974 249 HG1 THR 33 1HG THR 33 -10.526 -0.879 -7.423 250 1HG2 THR 33 1HG2 THR 33 -7.187 -0.247 -9.069 251 2HG2 THR 33 2HG2 THR 33 -7.984 1.251 -9.553 252 3HG2 THR 33 3HG2 THR 33 -8.648 -0.303 -10.054 253 H LEU 34 H LEU 34 -6.960 1.971 -7.919 254 HA LEU 34 HA LEU 34 -6.236 3.602 -5.761 255 1HB LEU 34 2HB LEU 34 -6.734 4.467 -8.609 256 2HB LEU 34 1HB LEU 34 -5.768 5.315 -7.418 257 HG LEU 34 HG LEU 34 -5.109 2.581 -8.514 258 1HD1 LEU 34 1HD1 LEU 34 -3.725 3.524 -10.063 259 2HD1 LEU 34 2HD1 LEU 34 -3.507 5.007 -9.133 260 3HD1 LEU 34 3HD1 LEU 34 -5.004 4.738 -10.025 261 1HD2 LEU 34 1HD2 LEU 34 -4.318 3.309 -6.172 262 2HD2 LEU 34 2HD2 LEU 34 -3.261 4.421 -7.041 263 3HD2 LEU 34 3HD2 LEU 34 -3.122 2.684 -7.308 264 H ARG 35 H ARG 35 -9.007 3.821 -7.978 265 HA ARG 35 HA ARG 35 -10.137 6.155 -6.941 266 1HB ARG 35 2HB ARG 35 -11.274 3.777 -8.382 267 2HB ARG 35 1HB ARG 35 -12.337 5.045 -7.786 268 1HG ARG 35 2HG ARG 35 -11.869 6.334 -9.522 269 2HG ARG 35 1HG ARG 35 -10.136 6.204 -9.216 270 1HD ARG 35 2HD ARG 35 -10.370 3.871 -10.320 271 2HD ARG 35 1HD ARG 35 -11.885 4.507 -10.958 272 HE ARG 35 HE ARG 35 -9.222 5.214 -11.777 273 1HH1 ARG 35 1HH1 ARG 35 -12.550 6.256 -11.650 274 2HH1 ARG 35 2HH1 ARG 35 -12.388 7.354 -12.979 275 1HH2 ARG 35 1HH2 ARG 35 -9.006 6.656 -13.527 276 2HH2 ARG 35 2HH2 ARG 35 -10.377 7.581 -14.045 277 H GLU 36 H GLU 36 -10.639 2.765 -6.036 278 HA GLU 36 HA GLU 36 -12.550 3.333 -4.002 279 1HB GLU 36 2HB GLU 36 -10.801 0.880 -4.213 280 2HB GLU 36 1HB GLU 36 -12.351 1.019 -3.392 281 1HG GLU 36 2HG GLU 36 -12.030 1.393 -6.354 282 2HG GLU 36 1HG GLU 36 -12.367 -0.168 -5.607 283 H ALA 37 H ALA 37 -9.063 3.094 -4.115 284 HA ALA 37 HA ALA 37 -8.705 3.015 -1.275 285 1HB ALA 37 1HB ALA 37 -6.306 3.564 -1.884 286 2HB ALA 37 2HB ALA 37 -6.824 3.510 -3.570 287 3HB ALA 37 3HB ALA 37 -6.962 2.072 -2.557 288 H GLU 38 H GLU 38 -9.023 5.532 -3.673 289 HA GLU 38 HA GLU 38 -7.978 7.623 -2.030 290 1HB GLU 38 2HB GLU 38 -9.727 7.658 -4.489 291 2HB GLU 38 1HB GLU 38 -9.169 9.118 -3.684 292 1HG GLU 38 2HG GLU 38 -6.953 8.748 -4.273 293 2HG GLU 38 1HG GLU 38 -7.229 7.039 -4.607 294 H LYS 39 H LYS 39 -11.162 6.297 -2.700 295 HA LYS 39 HA LYS 39 -12.597 8.209 -1.143 296 1HB LYS 39 2HB LYS 39 -13.830 7.049 -2.811 297 2HB LYS 39 1HB LYS 39 -13.271 5.483 -2.242 298 1HG LYS 39 2HG LYS 39 -14.904 7.193 -0.427 299 2HG LYS 39 1HG LYS 39 -15.694 6.298 -1.726 300 1HD LYS 39 2HD LYS 39 -13.877 4.535 -0.445 301 2HD LYS 39 1HD LYS 39 -14.808 5.352 0.813 302 1HE LYS 39 2HE LYS 39 -16.257 4.283 -1.556 303 2HE LYS 39 1HE LYS 39 -15.680 3.142 -0.343 304 1HZ LYS 39 1HZ LYS 39 -18.029 4.367 -0.198 305 2HZ LYS 39 2HZ LYS 39 -17.088 5.474 0.668 306 3HZ LYS 39 3HZ LYS 39 -17.169 3.859 1.166 307 H LYS 40 H LYS 40 -11.012 5.160 -0.527 308 HA LYS 40 HA LYS 40 -12.112 4.835 2.104 309 1HB LYS 40 2HB LYS 40 -11.156 2.778 2.072 310 2HB LYS 40 1HB LYS 40 -11.044 3.093 0.350 311 1HG LYS 40 2HG LYS 40 -8.725 3.961 0.775 312 2HG LYS 40 1HG LYS 40 -8.878 3.326 2.412 313 1HD LYS 40 2HD LYS 40 -9.304 1.650 -0.051 314 2HD LYS 40 1HD LYS 40 -7.739 1.806 0.747 315 1HE LYS 40 2HE LYS 40 -8.707 -0.168 1.600 316 2HE LYS 40 1HE LYS 40 -8.898 1.044 2.865 317 1HZ LYS 40 1HZ LYS 40 -11.118 0.964 1.053 318 2HZ LYS 40 2HZ LYS 40 -11.103 0.903 2.743 319 3HZ LYS 40 3HZ LYS 40 -10.875 -0.511 1.843 320 H ILE 41 H ILE 41 -9.118 6.106 0.722 321 HA ILE 41 HA ILE 41 -7.860 6.482 3.278 322 HB ILE 41 HB ILE 41 -7.156 7.601 0.560 323 1HG1 ILE 41 2HG1 ILE 41 -5.557 5.530 2.001 324 2HG1 ILE 41 1HG1 ILE 41 -7.043 5.032 1.198 325 1HG2 ILE 41 1HG2 ILE 41 -5.993 8.030 3.238 326 2HG2 ILE 41 2HG2 ILE 41 -5.974 9.065 1.812 327 3HG2 ILE 41 3HG2 ILE 41 -4.851 7.712 1.932 328 1HD1 ILE 41 1HD1 ILE 41 -6.024 6.306 -0.836 329 2HD1 ILE 41 2HD1 ILE 41 -5.488 4.674 -0.442 330 3HD1 ILE 41 3HD1 ILE 41 -4.508 6.062 0.030 331 H LYS 42 H LYS 42 -9.959 8.322 1.218 332 HA LYS 42 HA LYS 42 -9.424 10.882 2.327 333 1HB LYS 42 2HB LYS 42 -11.567 9.730 0.608 334 2HB LYS 42 1HB LYS 42 -11.809 11.312 1.337 335 1HG LYS 42 2HG LYS 42 -9.214 11.219 0.157 336 2HG LYS 42 1HG LYS 42 -10.408 10.671 -1.020 337 1HD LYS 42 2HD LYS 42 -11.110 13.076 0.549 338 2HD LYS 42 1HD LYS 42 -9.807 13.257 -0.628 339 1HE LYS 42 2HE LYS 42 -11.638 11.891 -2.089 340 2HE LYS 42 1HE LYS 42 -12.690 12.839 -1.039 341 1HZ LYS 42 1HZ LYS 42 -11.905 13.829 -3.270 342 2HZ LYS 42 2HZ LYS 42 -10.461 14.145 -2.448 343 3HZ LYS 42 3HZ LYS 42 -11.911 14.814 -1.894 344 H GLU 43 H GLU 43 -10.856 8.216 3.730 345 HA GLU 43 HA GLU 43 -12.606 9.855 5.418 346 1HB GLU 43 2HB GLU 43 -12.548 6.847 5.160 347 2HB GLU 43 1HB GLU 43 -13.734 7.802 6.038 348 1HG GLU 43 2HG GLU 43 -14.667 8.658 4.057 349 2HG GLU 43 1HG GLU 43 -13.305 8.101 3.085 350 H LEU 44 H LEU 44 -9.787 7.827 5.419 351 HA LEU 44 HA LEU 44 -9.402 8.445 8.262 352 1HB LEU 44 2HB LEU 44 -9.961 6.258 8.576 353 2HB LEU 44 1HB LEU 44 -9.489 5.788 6.958 354 HG LEU 44 HG LEU 44 -7.380 6.476 8.968 355 1HD1 LEU 44 1HD1 LEU 44 -7.447 3.817 9.196 356 2HD1 LEU 44 2HD1 LEU 44 -9.171 4.133 8.995 357 3HD1 LEU 44 3HD1 LEU 44 -8.281 4.902 10.309 358 1HD2 LEU 44 1HD2 LEU 44 -7.088 4.244 7.084 359 2HD2 LEU 44 2HD2 LEU 44 -5.967 5.542 7.491 360 3HD2 LEU 44 3HD2 LEU 44 -7.270 5.831 6.338 361 H PHE 45 H PHE 45 -7.174 8.425 8.954 362 HA PHE 45 HA PHE 45 -5.390 9.307 6.823 363 1HB PHE 45 2HB PHE 45 -5.633 10.701 8.846 364 2HB PHE 45 1HB PHE 45 -5.021 9.373 9.827 365 HD1 PHE 45 1HD PHE 45 -4.154 11.929 7.346 366 HD2 PHE 45 2HD PHE 45 -2.687 8.839 9.878 367 HE1 PHE 45 1HE PHE 45 -1.855 12.729 6.985 368 HE2 PHE 45 2HE PHE 45 -0.386 9.635 9.522 369 HZ PHE 45 HZ PHE 45 0.033 11.583 8.074 370 H PHE 46 H PHE 46 -4.629 7.495 5.815 371 HA PHE 46 HA PHE 46 -3.686 5.217 7.292 372 1HB PHE 46 2HB PHE 46 -3.772 5.971 4.389 373 2HB PHE 46 1HB PHE 46 -2.827 4.585 4.920 374 HD1 PHE 46 1HD PHE 46 -6.020 5.731 3.923 375 HD2 PHE 46 2HD PHE 46 -4.062 2.816 6.326 376 HE1 PHE 46 1HE PHE 46 -8.043 4.331 3.866 377 HE2 PHE 46 2HE PHE 46 -6.080 1.409 6.271 378 HZ PHE 46 HZ PHE 46 -8.075 2.169 5.042 379 HA PRO 47 HA PRO 47 0.442 6.947 7.698 380 1HB PRO 47 2HB PRO 47 1.458 5.060 9.304 381 2HB PRO 47 1HB PRO 47 0.262 6.221 9.895 382 1HG PRO 47 2HG PRO 47 -0.110 3.375 9.056 383 2HG PRO 47 1HG PRO 47 -0.825 4.240 10.427 384 1HD PRO 47 2HD PRO 47 -2.109 3.778 8.031 385 2HD PRO 47 1HD PRO 47 -2.520 5.088 9.155 386 H VAL 48 H VAL 48 -0.431 3.827 6.468 387 HA VAL 48 HA VAL 48 1.919 3.803 4.769 388 HB VAL 48 HB VAL 48 1.191 1.279 6.223 389 1HG1 VAL 48 1HG1 VAL 48 2.779 1.701 4.070 390 2HG1 VAL 48 2HG1 VAL 48 2.987 0.375 5.214 391 3HG1 VAL 48 3HG1 VAL 48 3.950 1.843 5.381 392 1HG2 VAL 48 1HG2 VAL 48 1.698 2.784 7.977 393 2HG2 VAL 48 2HG2 VAL 48 3.079 3.443 7.097 394 3HG2 VAL 48 3HG2 VAL 48 3.131 1.791 7.717 395 H ILE 49 H ILE 49 1.451 3.089 2.790 396 HA ILE 49 HA ILE 49 -1.094 1.692 2.342 397 HB ILE 49 HB ILE 49 0.178 3.442 0.260 398 1HG1 ILE 49 2HG1 ILE 49 -0.175 4.799 2.330 399 2HG1 ILE 49 1HG1 ILE 49 -1.148 5.330 0.962 400 1HG2 ILE 49 1HG2 ILE 49 -2.364 2.008 0.631 401 2HG2 ILE 49 2HG2 ILE 49 -1.469 2.376 -0.844 402 3HG2 ILE 49 3HG2 ILE 49 -2.487 3.609 -0.099 403 1HD1 ILE 49 1HD1 ILE 49 -2.102 3.669 3.282 404 2HD1 ILE 49 2HD1 ILE 49 -3.081 4.159 1.900 405 3HD1 ILE 49 3HD1 ILE 49 -2.439 5.378 3.001 406 H VAL 50 H VAL 50 -1.092 0.384 0.303 407 HA VAL 50 HA VAL 50 1.495 -0.394 -0.718 408 HB VAL 50 HB VAL 50 -0.201 -2.408 0.765 409 1HG1 VAL 50 1HG1 VAL 50 2.120 -3.674 0.259 410 2HG1 VAL 50 2HG1 VAL 50 2.005 -2.662 -1.179 411 3HG1 VAL 50 3HG1 VAL 50 0.704 -3.784 -0.785 412 1HG2 VAL 50 1HG2 VAL 50 1.884 -2.596 2.169 413 2HG2 VAL 50 2HG2 VAL 50 0.972 -1.099 2.352 414 3HG2 VAL 50 3HG2 VAL 50 2.446 -1.122 1.384 415 H LEU 51 H LEU 51 0.914 0.023 -2.748 416 HA LEU 51 HA LEU 51 -1.621 -0.796 -3.825 417 1HB LEU 51 2HB LEU 51 -0.473 1.275 -4.541 418 2HB LEU 51 1HB LEU 51 0.804 0.303 -5.241 419 HG LEU 51 HG LEU 51 -0.802 -0.669 -6.832 420 1HD1 LEU 51 1HD1 LEU 51 -3.048 0.161 -7.017 421 2HD1 LEU 51 2HD1 LEU 51 -2.782 1.297 -5.694 422 3HD1 LEU 51 3HD1 LEU 51 -2.797 -0.437 -5.377 423 1HD2 LEU 51 1HD2 LEU 51 -0.255 2.236 -6.675 424 2HD2 LEU 51 2HD2 LEU 51 -1.429 1.698 -7.876 425 3HD2 LEU 51 3HD2 LEU 51 0.213 1.055 -7.900 426 H ASP 52 H ASP 52 -1.759 -2.058 -5.827 427 HA ASP 52 HA ASP 52 0.317 -4.019 -6.309 428 1HB ASP 52 2HB ASP 52 -1.208 -4.858 -4.409 429 2HB ASP 52 1HB ASP 52 -2.447 -5.025 -5.650 430 H VAL 53 H VAL 53 0.405 -3.097 -8.362 431 HA VAL 53 HA VAL 53 -1.848 -2.710 -10.025 432 HB VAL 53 HB VAL 53 -0.219 -2.448 -11.856 433 1HG1 VAL 53 1HG1 VAL 53 0.549 -0.417 -11.131 434 2HG1 VAL 53 2HG1 VAL 53 1.017 -1.037 -9.548 435 3HG1 VAL 53 3HG1 VAL 53 -0.683 -0.739 -9.910 436 1HG2 VAL 53 1HG2 VAL 53 1.908 -3.170 -11.791 437 2HG2 VAL 53 2HG2 VAL 53 1.323 -4.230 -10.511 438 3HG2 VAL 53 3HG2 VAL 53 2.117 -2.710 -10.102 439 H TRP 54 H TRP 54 -2.709 -4.970 -9.407 440 HA TRP 54 HA TRP 54 -1.635 -7.309 -10.504 441 1HB TRP 54 2HB TRP 54 -3.406 -7.427 -8.867 442 2HB TRP 54 1HB TRP 54 -4.506 -6.551 -9.923 443 HD1 TRP 54 HD TRP 54 -6.314 -8.216 -10.630 444 HE1 TRP 54 1HE TRP 54 -6.348 -10.621 -11.548 445 HE3 TRP 54 3HE TRP 54 -1.321 -9.275 -10.326 446 HZ2 TRP 54 2HZ TRP 54 -4.505 -12.693 -12.071 447 HZ3 TRP 54 3HZ TRP 54 -0.538 -11.491 -11.055 448 HH2 TRP 54 HH TRP 54 -2.099 -13.164 -11.909 449 H MET 55 H MET 55 -4.643 -5.925 -11.775 450 HA MET 55 HA MET 55 -3.548 -5.751 -14.448 451 1HB MET 55 2HB MET 55 -5.364 -7.933 -13.577 452 2HB MET 55 1HB MET 55 -5.707 -7.191 -15.134 453 1HG MET 55 2HG MET 55 -3.976 -8.185 -16.119 454 2HG MET 55 1HG MET 55 -2.894 -7.845 -14.772 455 1HE MET 55 1HE MET 55 -5.648 -9.809 -16.202 456 2HE MET 55 2HE MET 55 -5.755 -11.320 -15.298 457 3HE MET 55 3HE MET 55 -4.520 -11.122 -16.541 458 HA PRO 56 HA PRO 56 -7.223 -2.995 -13.640 459 1HB PRO 56 2HB PRO 56 -6.077 -0.871 -12.361 460 2HB PRO 56 1HB PRO 56 -6.760 -2.265 -11.522 461 1HG PRO 56 2HG PRO 56 -3.990 -1.456 -11.732 462 2HG PRO 56 1HG PRO 56 -4.695 -2.747 -10.751 463 1HD PRO 56 2HD PRO 56 -3.335 -2.909 -13.350 464 2HD PRO 56 1HD PRO 56 -3.665 -4.188 -12.168 465 H ASP 57 H ASP 57 -7.035 -0.280 -13.914 466 HA ASP 57 HA ASP 57 -5.225 0.355 -16.085 467 1HB ASP 57 2HB ASP 57 -7.191 -0.763 -17.160 468 2HB ASP 57 1HB ASP 57 -8.206 0.532 -16.533 469 H GLY 58 H GLY 58 -5.314 1.402 -13.535 470 1HA GLY 58 2HA GLY 58 -6.499 4.076 -13.961 471 2HA GLY 58 1HA GLY 58 -6.299 3.336 -12.381 472 H ASP 59 H ASP 59 -3.577 2.333 -13.363 473 HA ASP 59 HA ASP 59 -1.402 2.988 -13.233 474 1HB ASP 59 2HB ASP 59 -2.647 4.884 -14.900 475 2HB ASP 59 1HB ASP 59 -1.649 5.812 -13.786 476 H GLY 60 H GLY 60 -0.321 3.249 -11.394 477 1HA GLY 60 2HA GLY 60 -1.498 4.918 -9.301 478 2HA GLY 60 1HA GLY 60 -0.253 3.701 -9.076 479 H VAL 61 H VAL 61 0.383 5.733 -11.723 480 HA VAL 61 HA VAL 61 2.697 6.815 -10.507 481 HB VAL 61 HB VAL 61 1.342 7.681 -13.065 482 1HG1 VAL 61 1HG1 VAL 61 4.008 8.220 -11.841 483 2HG1 VAL 61 2HG1 VAL 61 2.883 9.335 -12.617 484 3HG1 VAL 61 3HG1 VAL 61 3.823 8.207 -13.595 485 1HG2 VAL 61 1HG2 VAL 61 3.563 5.672 -12.713 486 2HG2 VAL 61 2HG2 VAL 61 2.755 6.120 -14.216 487 3HG2 VAL 61 3HG2 VAL 61 1.868 5.249 -12.964 488 H ASN 62 H ASN 62 -0.484 8.148 -11.311 489 HA ASN 62 HA ASN 62 0.238 10.731 -10.182 490 1HB ASN 62 2HB ASN 62 -1.711 9.776 -12.072 491 2HB ASN 62 1HB ASN 62 -2.519 10.681 -10.796 492 1HD2 ASN 62 1HD2 ASN 62 -0.145 10.814 -13.345 493 2HD2 ASN 62 2HD2 ASN 62 -0.089 12.536 -13.471 494 H PHE 63 H PHE 63 -0.551 7.915 -8.808 495 HA PHE 63 HA PHE 63 -2.552 8.912 -6.951 496 1HB PHE 63 2HB PHE 63 -2.716 6.599 -7.797 497 2HB PHE 63 1HB PHE 63 -1.168 6.223 -7.048 498 HD1 PHE 63 1HD PHE 63 -4.172 8.068 -5.838 499 HD2 PHE 63 2HD PHE 63 -1.508 4.797 -5.278 500 HE1 PHE 63 1HE PHE 63 -5.327 7.492 -3.745 501 HE2 PHE 63 2HE PHE 63 -2.660 4.214 -3.183 502 HZ PHE 63 HZ PHE 63 -4.573 5.563 -2.414 503 H ILE 64 H ILE 64 0.861 8.049 -6.995 504 HA ILE 64 HA ILE 64 1.503 7.953 -4.339 505 HB ILE 64 HB ILE 64 3.125 9.356 -6.468 506 1HG1 ILE 64 2HG1 ILE 64 4.189 6.824 -5.996 507 2HG1 ILE 64 1HG1 ILE 64 2.449 6.559 -6.027 508 1HG2 ILE 64 1HG2 ILE 64 4.925 8.237 -4.795 509 2HG2 ILE 64 2HG2 ILE 64 3.645 8.657 -3.658 510 3HG2 ILE 64 3HG2 ILE 64 4.367 9.906 -4.672 511 1HD1 ILE 64 1HD1 ILE 64 4.115 7.826 -8.184 512 2HD1 ILE 64 2HD1 ILE 64 2.359 7.689 -8.215 513 3HD1 ILE 64 3HD1 ILE 64 3.354 6.235 -8.221 514 H ASP 65 H ASP 65 0.586 10.761 -6.194 515 HA ASP 65 HA ASP 65 1.453 12.655 -4.209 516 1HB ASP 65 2HB ASP 65 0.825 12.848 -6.872 517 2HB ASP 65 1HB ASP 65 -0.605 13.543 -6.115 518 H PHE 66 H PHE 66 -1.527 11.005 -5.050 519 HA PHE 66 HA PHE 66 -3.310 12.504 -3.494 520 1HB PHE 66 2HB PHE 66 -4.045 10.853 -5.159 521 2HB PHE 66 1HB PHE 66 -3.403 9.554 -4.160 522 HD1 PHE 66 1HD PHE 66 -4.423 9.153 -1.896 523 HD2 PHE 66 2HD PHE 66 -6.196 11.704 -4.804 524 HE1 PHE 66 1HE PHE 66 -6.578 8.991 -0.720 525 HE2 PHE 66 2HE PHE 66 -8.353 11.547 -3.633 526 HZ PHE 66 HZ PHE 66 -8.546 10.187 -1.588 527 H ILE 67 H ILE 67 -1.258 9.743 -2.690 528 HA ILE 67 HA ILE 67 -2.211 9.312 -0.081 529 HB ILE 67 HB ILE 67 0.506 8.767 -1.291 530 1HG1 ILE 67 2HG1 ILE 67 -0.494 6.357 -0.975 531 2HG1 ILE 67 1HG1 ILE 67 -2.032 7.212 -0.953 532 1HG2 ILE 67 1HG2 ILE 67 1.161 8.636 0.871 533 2HG2 ILE 67 2HG2 ILE 67 0.392 7.051 0.771 534 3HG2 ILE 67 3HG2 ILE 67 -0.483 8.413 1.470 535 1HD1 ILE 67 1HD1 ILE 67 -0.248 7.941 -3.161 536 2HD1 ILE 67 2HD1 ILE 67 -1.980 7.609 -3.154 537 3HD1 ILE 67 3HD1 ILE 67 -0.826 6.276 -3.176 538 H LYS 68 H LYS 68 0.385 11.373 -1.338 539 HA LYS 68 HA LYS 68 1.133 12.354 1.251 540 1HB LYS 68 2HB LYS 68 1.740 13.550 -1.459 541 2HB LYS 68 1HB LYS 68 2.585 13.876 0.048 542 1HG LYS 68 2HG LYS 68 2.592 11.059 -0.495 543 2HG LYS 68 1HG LYS 68 3.207 11.954 -1.886 544 1HD LYS 68 2HD LYS 68 5.160 11.889 -0.766 545 2HD LYS 68 1HD LYS 68 4.468 13.227 0.152 546 1HE LYS 68 2HE LYS 68 3.432 11.153 1.510 547 2HE LYS 68 1HE LYS 68 4.927 10.416 0.935 548 1HZ LYS 68 1HZ LYS 68 4.535 12.531 2.883 549 2HZ LYS 68 2HZ LYS 68 5.838 12.749 1.827 550 3HZ LYS 68 3HZ LYS 68 5.749 11.359 2.787 551 H GLU 69 H GLU 69 -1.185 13.207 -1.173 552 HA GLU 69 HA GLU 69 -1.619 15.902 -0.492 553 1HB GLU 69 2HB GLU 69 -2.436 14.663 -2.551 554 2HB GLU 69 1HB GLU 69 -3.715 14.012 -1.536 555 1HG GLU 69 2HG GLU 69 -4.133 16.538 -0.981 556 2HG GLU 69 1HG GLU 69 -3.295 16.788 -2.512 557 H ASN 70 H ASN 70 -3.004 12.893 0.724 558 HA ASN 70 HA ASN 70 -4.277 14.439 2.887 559 1HB ASN 70 2HB ASN 70 -5.311 11.748 2.065 560 2HB ASN 70 1HB ASN 70 -6.156 13.069 2.868 561 1HD2 ASN 70 1HD2 ASN 70 -4.615 12.200 -0.193 562 2HD2 ASN 70 2HD2 ASN 70 -5.698 13.096 -1.196 563 H SER 71 H SER 71 -1.611 12.905 2.509 564 HA SER 71 HA SER 71 -1.465 11.948 5.185 565 1HB SER 71 2HB SER 71 -2.140 10.040 3.109 566 2HB SER 71 1HB SER 71 -0.608 9.622 3.876 567 HG SER 71 HG SER 71 -2.919 10.276 5.369 568 HA PRO 72 HA PRO 72 2.480 13.323 3.128 569 1HB PRO 72 2HB PRO 72 2.692 15.193 5.354 570 2HB PRO 72 1HB PRO 72 2.675 15.527 3.621 571 1HG PRO 72 2HG PRO 72 0.628 16.197 5.269 572 2HG PRO 72 1HG PRO 72 0.396 15.786 3.561 573 1HD PRO 72 2HD PRO 72 -0.055 14.104 5.994 574 2HD PRO 72 1HD PRO 72 -1.033 14.234 4.516 575 H ASP 73 H ASP 73 1.517 12.320 6.246 576 HA ASP 73 HA ASP 73 4.285 11.656 6.975 577 1HB ASP 73 2HB ASP 73 2.738 13.053 8.514 578 2HB ASP 73 1HB ASP 73 1.980 11.507 8.880 579 H SER 74 H SER 74 2.546 10.167 5.107 580 HA SER 74 HA SER 74 2.187 7.649 6.572 581 1HB SER 74 2HB SER 74 0.222 8.469 5.338 582 2HB SER 74 1HB SER 74 1.159 8.475 3.846 583 HG SER 74 HG SER 74 -0.231 6.494 4.803 584 H VAL 75 H VAL 75 2.298 5.968 4.254 585 HA VAL 75 HA VAL 75 4.938 6.362 3.111 586 HB VAL 75 HB VAL 75 4.358 3.859 4.702 587 1HG1 VAL 75 1HG1 VAL 75 6.441 4.685 2.748 588 2HG1 VAL 75 2HG1 VAL 75 5.737 3.097 3.048 589 3HG1 VAL 75 3HG1 VAL 75 6.966 3.737 4.139 590 1HG2 VAL 75 1HG2 VAL 75 4.829 5.545 6.281 591 2HG2 VAL 75 2HG2 VAL 75 6.082 6.261 5.267 592 3HG2 VAL 75 3HG2 VAL 75 6.356 4.697 6.036 593 H VAL 76 H VAL 76 5.110 5.542 1.127 594 HA VAL 76 HA VAL 76 2.873 3.880 0.171 595 HB VAL 76 HB VAL 76 4.699 5.506 -1.582 596 1HG1 VAL 76 1HG1 VAL 76 3.028 3.559 -2.301 597 2HG1 VAL 76 2HG1 VAL 76 3.309 4.984 -3.299 598 3HG1 VAL 76 3HG1 VAL 76 1.883 4.900 -2.265 599 1HG2 VAL 76 1HG2 VAL 76 2.366 6.359 0.043 600 2HG2 VAL 76 2HG2 VAL 76 2.505 7.000 -1.594 601 3HG2 VAL 76 3HG2 VAL 76 3.805 7.260 -0.432 602 H ILE 77 H ILE 77 3.327 1.824 -0.130 603 HA ILE 77 HA ILE 77 6.030 1.085 -1.046 604 HB ILE 77 HB ILE 77 4.198 -0.726 0.516 605 1HG1 ILE 77 2HG1 ILE 77 4.765 1.283 1.859 606 2HG1 ILE 77 1HG1 ILE 77 5.474 -0.189 2.513 607 1HG2 ILE 77 1HG2 ILE 77 6.164 -1.545 -0.959 608 2HG2 ILE 77 2HG2 ILE 77 5.990 -2.181 0.677 609 3HG2 ILE 77 3HG2 ILE 77 7.176 -0.920 0.342 610 1HD1 ILE 77 1HD1 ILE 77 7.447 0.749 0.856 611 2HD1 ILE 77 2HD1 ILE 77 7.366 0.973 2.604 612 3HD1 ILE 77 3HD1 ILE 77 6.751 2.226 1.526 613 H VAL 78 H VAL 78 4.311 1.768 -2.990 614 HA VAL 78 HA VAL 78 2.507 -0.037 -4.027 615 HB VAL 78 HB VAL 78 4.514 1.544 -5.646 616 1HG1 VAL 78 1HG1 VAL 78 1.804 1.185 -6.681 617 2HG1 VAL 78 2HG1 VAL 78 2.714 -0.318 -6.533 618 3HG1 VAL 78 3HG1 VAL 78 3.359 1.013 -7.492 619 1HG2 VAL 78 1HG2 VAL 78 2.139 2.347 -4.090 620 2HG2 VAL 78 2HG2 VAL 78 2.274 3.029 -5.710 621 3HG2 VAL 78 3HG2 VAL 78 3.571 3.273 -4.541 622 H ILE 79 H ILE 79 2.706 -2.136 -4.416 623 HA ILE 79 HA ILE 79 5.313 -3.183 -5.299 624 HB ILE 79 HB ILE 79 3.182 -5.010 -4.291 625 1HG1 ILE 79 2HG1 ILE 79 5.000 -3.447 -2.451 626 2HG1 ILE 79 1HG1 ILE 79 3.286 -3.115 -2.667 627 1HG2 ILE 79 1HG2 ILE 79 5.522 -5.812 -3.201 628 2HG2 ILE 79 2HG2 ILE 79 6.097 -5.006 -4.661 629 3HG2 ILE 79 3HG2 ILE 79 4.937 -6.329 -4.782 630 1HD1 ILE 79 1HD1 ILE 79 4.120 -4.563 -0.669 631 2HD1 ILE 79 2HD1 ILE 79 4.141 -5.852 -1.874 632 3HD1 ILE 79 3HD1 ILE 79 2.640 -4.992 -1.527 633 H THR 80 H THR 80 4.870 -5.434 -6.509 634 HA THR 80 HA THR 80 3.946 -6.584 -8.259 635 HB THR 80 HB THR 80 1.875 -4.437 -8.648 636 HG1 THR 80 1HG THR 80 1.970 -6.437 -6.660 637 1HG2 THR 80 1HG2 THR 80 0.503 -6.139 -9.508 638 2HG2 THR 80 2HG2 THR 80 1.575 -7.409 -8.920 639 3HG2 THR 80 3HG2 THR 80 2.085 -6.372 -10.252 640 H GLY 81 H GLY 81 5.357 -6.501 -9.869 641 1HA GLY 81 2HA GLY 81 5.108 -4.555 -11.942 642 2HA GLY 81 1HA GLY 81 6.548 -4.272 -10.974 643 H HIS 82 H HIS 82 5.253 -5.946 -13.585 644 HA HIS 82 HA HIS 82 7.288 -8.044 -13.519 645 1HB HIS 82 2HB HIS 82 4.721 -8.219 -14.257 646 2HB HIS 82 1HB HIS 82 5.417 -7.792 -15.817 647 HD1 HIS 82 1HD HIS 82 6.527 -10.224 -13.096 648 HD2 HIS 82 2HD HIS 82 5.790 -10.085 -17.183 649 HE1 HIS 82 1HE HIS 82 7.081 -12.520 -13.958 650 HE2 HIS 82 2HE HIS 82 6.547 -12.438 -16.419 651 H GLY 83 H GLY 83 8.521 -8.481 -15.524 652 1HA GLY 83 2HA GLY 83 10.033 -7.816 -17.118 653 2HA GLY 83 1HA GLY 83 8.833 -6.624 -17.596 654 H SER 84 H SER 84 10.498 -5.127 -18.051 655 HA SER 84 HA SER 84 12.490 -4.329 -16.256 656 1HB SER 84 2HB SER 84 11.246 -3.184 -18.697 657 2HB SER 84 1HB SER 84 12.121 -2.061 -17.655 658 HG SER 84 HG SER 84 13.966 -3.196 -17.966 659 H VAL 85 H VAL 85 12.490 -3.092 -14.487 660 HA VAL 85 HA VAL 85 10.027 -2.230 -13.340 661 HB VAL 85 HB VAL 85 11.510 -1.198 -11.581 662 1HG1 VAL 85 1HG1 VAL 85 10.725 -3.755 -11.927 663 2HG1 VAL 85 2HG1 VAL 85 11.604 -3.179 -10.509 664 3HG1 VAL 85 3HG1 VAL 85 12.473 -3.970 -11.825 665 1HG2 VAL 85 1HG2 VAL 85 13.846 -1.515 -11.620 666 2HG2 VAL 85 2HG2 VAL 85 13.430 -0.886 -13.214 667 3HG2 VAL 85 3HG2 VAL 85 13.754 -2.607 -13.002 668 H ASP 86 H ASP 86 9.629 -0.901 -15.424 669 HA ASP 86 HA ASP 86 10.874 1.740 -15.304 670 1HB ASP 86 2HB ASP 86 10.673 0.642 -17.502 671 2HB ASP 86 1HB ASP 86 8.922 0.600 -17.318 672 H THR 87 H THR 87 7.990 0.131 -14.350 673 HA THR 87 HA THR 87 6.416 2.566 -14.225 674 HB THR 87 HB THR 87 5.586 0.078 -14.608 675 HG1 THR 87 1HG THR 87 3.736 1.027 -14.452 676 1HG2 THR 87 1HG2 THR 87 6.482 -0.513 -12.225 677 2HG2 THR 87 2HG2 THR 87 4.945 -1.164 -12.794 678 3HG2 THR 87 3HG2 THR 87 4.965 0.218 -11.699 679 H ALA 88 H ALA 88 8.293 0.486 -12.158 680 HA ALA 88 HA ALA 88 7.545 1.457 -9.647 681 1HB ALA 88 1HB ALA 88 9.813 0.689 -8.936 682 2HB ALA 88 2HB ALA 88 10.185 0.381 -10.630 683 3HB ALA 88 3HB ALA 88 8.898 -0.522 -9.834 684 H VAL 89 H VAL 89 10.369 2.338 -11.608 685 HA VAL 89 HA VAL 89 11.233 4.491 -10.094 686 HB VAL 89 HB VAL 89 12.452 5.233 -12.065 687 1HG1 VAL 89 1HG1 VAL 89 12.993 3.052 -10.773 688 2HG1 VAL 89 2HG1 VAL 89 13.827 3.383 -12.291 689 3HG1 VAL 89 3HG1 VAL 89 12.476 2.250 -12.255 690 1HG2 VAL 89 1HG2 VAL 89 12.123 4.066 -14.237 691 2HG2 VAL 89 2HG2 VAL 89 10.752 5.066 -13.755 692 3HG2 VAL 89 3HG2 VAL 89 10.675 3.314 -13.566 693 H LYS 90 H LYS 90 8.615 4.263 -12.379 694 HA LYS 90 HA LYS 90 8.299 7.109 -12.684 695 1HB LYS 90 2HB LYS 90 7.648 5.623 -14.495 696 2HB LYS 90 1HB LYS 90 6.505 4.800 -13.447 697 1HG LYS 90 2HG LYS 90 5.130 6.765 -13.309 698 2HG LYS 90 1HG LYS 90 6.322 7.705 -14.211 699 1HD LYS 90 2HD LYS 90 5.969 5.849 -16.024 700 2HD LYS 90 1HD LYS 90 4.446 5.590 -15.173 701 1HE LYS 90 2HE LYS 90 3.543 7.446 -16.027 702 2HE LYS 90 1HE LYS 90 4.975 8.405 -15.657 703 1HZ LYS 90 1HZ LYS 90 5.943 7.884 -17.685 704 2HZ LYS 90 2HZ LYS 90 4.316 8.100 -18.095 705 3HZ LYS 90 3HZ LYS 90 4.949 6.539 -17.946 706 H ALA 91 H ALA 91 7.534 4.936 -10.232 707 HA ALA 91 HA ALA 91 5.385 6.705 -9.258 708 1HB ALA 91 1HB ALA 91 4.802 4.560 -7.871 709 2HB ALA 91 2HB ALA 91 5.670 3.741 -9.170 710 3HB ALA 91 3HB ALA 91 4.257 4.730 -9.541 711 H ILE 92 H ILE 92 8.329 4.972 -8.445 712 HA ILE 92 HA ILE 92 8.193 5.650 -5.657 713 HB ILE 92 HB ILE 92 10.239 4.537 -5.364 714 1HG1 ILE 92 2HG1 ILE 92 10.680 4.772 -8.347 715 2HG1 ILE 92 1HG1 ILE 92 11.550 5.657 -7.100 716 1HG2 ILE 92 1HG2 ILE 92 9.937 2.479 -6.967 717 2HG2 ILE 92 2HG2 ILE 92 8.441 3.307 -7.390 718 3HG2 ILE 92 3HG2 ILE 92 8.746 2.843 -5.720 719 1HD1 ILE 92 1HD1 ILE 92 12.478 3.566 -6.259 720 2HD1 ILE 92 2HD1 ILE 92 12.873 3.812 -7.960 721 3HD1 ILE 92 3HD1 ILE 92 11.603 2.677 -7.506 722 H LYS 93 H LYS 93 10.052 6.807 -8.448 723 HA LYS 93 HA LYS 93 11.595 8.692 -7.036 724 1HB LYS 93 2HB LYS 93 10.783 8.440 -9.919 725 2HB LYS 93 1HB LYS 93 11.718 9.818 -9.359 726 1HG LYS 93 2HG LYS 93 13.570 8.513 -8.843 727 2HG LYS 93 1HG LYS 93 12.627 7.023 -8.801 728 1HD LYS 93 2HD LYS 93 12.236 7.321 -11.265 729 2HD LYS 93 1HD LYS 93 13.407 8.639 -11.221 730 1HE LYS 93 2HE LYS 93 14.285 6.362 -11.916 731 2HE LYS 93 1HE LYS 93 15.171 7.196 -10.640 732 1HZ LYS 93 1HZ LYS 93 14.479 5.721 -9.066 733 2HZ LYS 93 2HZ LYS 93 14.506 4.691 -10.408 734 3HZ LYS 93 3HZ LYS 93 13.039 5.341 -9.869 735 H LYS 94 H LYS 94 8.288 8.662 -7.888 736 HA LYS 94 HA LYS 94 7.910 11.501 -7.975 737 1HB LYS 94 2HB LYS 94 6.423 9.850 -9.122 738 2HB LYS 94 1HB LYS 94 5.836 9.353 -7.540 739 1HG LYS 94 2HG LYS 94 4.215 10.841 -8.149 740 2HG LYS 94 1HG LYS 94 5.315 11.903 -7.269 741 1HD LYS 94 2HD LYS 94 5.534 11.514 -10.239 742 2HD LYS 94 1HD LYS 94 4.438 12.707 -9.539 743 1HE LYS 94 2HE LYS 94 6.684 13.309 -8.195 744 2HE LYS 94 1HE LYS 94 7.389 12.688 -9.686 745 1HZ LYS 94 1HZ LYS 94 6.732 15.196 -9.437 746 2HZ LYS 94 2HZ LYS 94 5.204 14.627 -9.891 747 3HZ LYS 94 3HZ LYS 94 6.533 14.389 -10.910 748 H GLY 95 H GLY 95 7.987 9.073 -5.488 749 1HA GLY 95 2HA GLY 95 8.361 10.669 -3.348 750 2HA GLY 95 1HA GLY 95 6.620 10.735 -3.551 751 H ALA 96 H ALA 96 6.955 7.781 -4.585 752 HA ALA 96 HA ALA 96 6.113 6.553 -2.224 753 1HB ALA 96 1HB ALA 96 5.694 4.799 -3.541 754 2HB ALA 96 2HB ALA 96 7.364 4.709 -4.099 755 3HB ALA 96 3HB ALA 96 6.235 5.823 -4.870 756 H TYR 97 H TYR 97 7.350 4.362 -1.570 757 HA TYR 97 HA TYR 97 9.948 5.292 -0.599 758 1HB TYR 97 2HB TYR 97 8.390 4.627 1.131 759 2HB TYR 97 1HB TYR 97 8.151 3.060 0.368 760 HD1 TYR 97 1HD TYR 97 10.821 5.182 1.878 761 HD2 TYR 97 2HD TYR 97 9.423 1.246 1.069 762 HE1 TYR 97 1HE TYR 97 12.659 4.259 3.225 763 HE2 TYR 97 2HE TYR 97 11.257 0.312 2.414 764 HH TYR 97 HH TYR 97 12.900 1.823 4.587 765 H GLU 98 H GLU 98 8.730 3.339 -3.005 766 HA GLU 98 HA GLU 98 10.721 2.524 -4.417 767 1HB GLU 98 2HB GLU 98 11.788 0.487 -3.558 768 2HB GLU 98 1HB GLU 98 12.089 1.851 -2.496 769 1HG GLU 98 2HG GLU 98 10.183 1.013 -1.073 770 2HG GLU 98 1HG GLU 98 10.195 -0.442 -2.067 771 H PHE 99 H PHE 99 10.687 -0.095 -4.983 772 HA PHE 99 HA PHE 99 7.835 -0.806 -5.193 773 1HB PHE 99 2HB PHE 99 9.615 -0.117 -7.281 774 2HB PHE 99 1HB PHE 99 9.341 -1.849 -7.405 775 HD1 PHE 99 1HD PHE 99 7.649 -2.501 -8.786 776 HD2 PHE 99 2HD PHE 99 7.328 1.235 -6.776 777 HE1 PHE 99 1HE PHE 99 5.511 -2.077 -9.927 778 HE2 PHE 99 2HE PHE 99 5.188 1.666 -7.913 779 HZ PHE 99 HZ PHE 99 4.277 0.008 -9.489 780 H LEU 100 H LEU 100 7.952 -2.318 -3.511 781 HA LEU 100 HA LEU 100 9.928 -4.226 -3.117 782 1HB LEU 100 2HB LEU 100 7.964 -3.594 -1.629 783 2HB LEU 100 1HB LEU 100 6.999 -4.679 -2.609 784 HG LEU 100 HG LEU 100 8.309 -6.575 -1.917 785 1HD1 LEU 100 1HD1 LEU 100 10.498 -6.066 -1.637 786 2HD1 LEU 100 2HD1 LEU 100 10.002 -5.922 0.049 787 3HD1 LEU 100 3HD1 LEU 100 10.155 -4.478 -0.952 788 1HD2 LEU 100 1HD2 LEU 100 8.000 -5.242 0.690 789 2HD2 LEU 100 2HD2 LEU 100 7.337 -6.768 0.104 790 3HD2 LEU 100 3HD2 LEU 100 6.579 -5.244 -0.357 791 H GLU 101 H GLU 101 9.614 -6.639 -3.383 792 HA GLU 101 HA GLU 101 8.963 -7.160 -6.177 793 1HB GLU 101 2HB GLU 101 10.248 -9.024 -4.178 794 2HB GLU 101 1HB GLU 101 10.206 -9.209 -5.927 795 1HG GLU 101 2HG GLU 101 11.850 -7.674 -6.271 796 2HG GLU 101 1HG GLU 101 11.449 -6.754 -4.821 797 H LYS 102 H LYS 102 7.012 -7.877 -6.688 798 HA LYS 102 HA LYS 102 5.068 -8.723 -4.878 799 1HB LYS 102 2HB LYS 102 5.110 -8.106 -7.550 800 2HB LYS 102 1HB LYS 102 4.791 -9.833 -7.583 801 1HG LYS 102 2HG LYS 102 3.189 -8.200 -5.707 802 2HG LYS 102 1HG LYS 102 2.858 -8.024 -7.432 803 1HD LYS 102 2HD LYS 102 1.479 -9.774 -7.058 804 2HD LYS 102 1HD LYS 102 2.965 -10.705 -7.255 805 1HE LYS 102 2HE LYS 102 3.247 -10.940 -4.929 806 2HE LYS 102 1HE LYS 102 2.061 -9.685 -4.578 807 1HZ LYS 102 1HZ LYS 102 0.306 -11.098 -5.253 808 2HZ LYS 102 2HZ LYS 102 1.285 -12.018 -4.225 809 3HZ LYS 102 3HZ LYS 102 1.367 -12.245 -5.900 810 HA PRO 103 HA PRO 103 5.989 -13.303 -6.242 811 1HB PRO 103 2HB PRO 103 8.468 -13.702 -7.355 812 2HB PRO 103 1HB PRO 103 6.986 -13.486 -8.291 813 1HG PRO 103 2HG PRO 103 9.110 -11.492 -7.611 814 2HG PRO 103 1HG PRO 103 8.250 -11.736 -9.143 815 1HD PRO 103 2HD PRO 103 7.600 -9.749 -7.462 816 2HD PRO 103 1HD PRO 103 6.369 -10.604 -8.413 817 H PHE 104 H PHE 104 8.220 -14.800 -5.789 818 HA PHE 104 HA PHE 104 9.759 -15.463 -4.242 819 1HB PHE 104 2HB PHE 104 10.218 -12.753 -4.367 820 2HB PHE 104 1HB PHE 104 9.880 -12.997 -2.658 821 HD1 PHE 104 1HD PHE 104 11.791 -13.133 -1.412 822 HD2 PHE 104 2HD PHE 104 11.726 -14.924 -5.272 823 HE1 PHE 104 1HE PHE 104 14.090 -13.942 -1.072 824 HE2 PHE 104 2HE PHE 104 14.025 -15.737 -4.938 825 HZ PHE 104 HZ PHE 104 15.209 -15.247 -2.834 826 H SER 105 H SER 105 7.936 -13.035 -2.371 827 HA SER 105 HA SER 105 6.087 -14.709 -1.183 828 1HB SER 105 2HB SER 105 7.744 -16.059 -0.180 829 2HB SER 105 1HB SER 105 8.738 -14.669 0.250 830 HG SER 105 HG SER 105 6.235 -15.394 1.373 831 H VAL 106 H VAL 106 5.141 -13.799 0.824 832 HA VAL 106 HA VAL 106 5.187 -10.889 0.691 833 HB VAL 106 HB VAL 106 3.019 -11.994 0.702 834 1HG1 VAL 106 1HG1 VAL 106 2.395 -12.982 3.071 835 2HG1 VAL 106 2HG1 VAL 106 4.125 -13.319 3.115 836 3HG1 VAL 106 3HG1 VAL 106 3.132 -13.976 1.816 837 1HG2 VAL 106 1HG2 VAL 106 3.643 -10.414 3.190 838 2HG2 VAL 106 2HG2 VAL 106 2.006 -10.817 2.672 839 3HG2 VAL 106 3HG2 VAL 106 3.032 -9.810 1.650 840 H GLU 107 H GLU 107 6.182 -13.475 2.832 841 HA GLU 107 HA GLU 107 6.381 -12.284 5.272 842 1HB GLU 107 2HB GLU 107 7.175 -14.614 4.467 843 2HB GLU 107 1HB GLU 107 8.720 -13.818 4.192 844 1HG GLU 107 2HG GLU 107 8.448 -13.017 6.641 845 2HG GLU 107 1HG GLU 107 7.290 -14.343 6.754 846 H ARG 108 H ARG 108 8.299 -11.634 2.425 847 HA ARG 108 HA ARG 108 10.301 -10.058 3.710 848 1HB ARG 108 2HB ARG 108 9.439 -9.768 0.835 849 2HB ARG 108 1HB ARG 108 11.024 -9.463 1.529 850 1HG ARG 108 2HG ARG 108 10.132 -12.212 1.884 851 2HG ARG 108 1HG ARG 108 10.258 -11.726 0.192 852 1HD ARG 108 2HD ARG 108 12.525 -11.360 0.326 853 2HD ARG 108 1HD ARG 108 12.478 -11.042 2.060 854 HE ARG 108 HE ARG 108 11.784 -13.695 1.742 855 1HH1 ARG 108 1HH1 ARG 108 14.546 -11.682 1.029 856 2HH1 ARG 108 2HH1 ARG 108 15.687 -12.972 1.196 857 1HH2 ARG 108 1HH2 ARG 108 13.285 -15.394 1.964 858 2HH2 ARG 108 2HH2 ARG 108 14.972 -15.080 1.728 859 H PHE 109 H PHE 109 7.240 -9.407 2.100 860 HA PHE 109 HA PHE 109 7.270 -6.627 2.081 861 1HB PHE 109 2HB PHE 109 5.516 -7.658 0.890 862 2HB PHE 109 1HB PHE 109 5.058 -8.666 2.255 863 HD1 PHE 109 1HD PHE 109 5.572 -4.982 2.028 864 HD2 PHE 109 2HD PHE 109 2.854 -8.181 2.731 865 HE1 PHE 109 1HE PHE 109 3.828 -3.360 2.644 866 HE2 PHE 109 2HE PHE 109 1.106 -6.565 3.345 867 HZ PHE 109 HZ PHE 109 1.592 -4.153 3.305 868 H LEU 110 H LEU 110 6.765 -8.885 4.672 869 HA LEU 110 HA LEU 110 5.506 -7.287 6.567 870 1HB LEU 110 2HB LEU 110 6.603 -9.812 6.490 871 2HB LEU 110 1HB LEU 110 7.577 -8.987 7.689 872 HG LEU 110 HG LEU 110 4.593 -8.852 7.868 873 1HD1 LEU 110 1HD1 LEU 110 4.746 -10.860 9.379 874 2HD1 LEU 110 2HD1 LEU 110 6.337 -11.164 8.681 875 3HD1 LEU 110 3HD1 LEU 110 4.903 -11.189 7.654 876 1HD2 LEU 110 1HD2 LEU 110 6.915 -8.227 9.531 877 2HD2 LEU 110 2HD2 LEU 110 5.652 -9.123 10.374 878 3HD2 LEU 110 3HD2 LEU 110 5.272 -7.590 9.588 879 H LEU 111 H LEU 111 8.909 -7.552 5.707 880 HA LEU 111 HA LEU 111 10.001 -6.020 7.773 881 1HB LEU 111 2HB LEU 111 10.886 -6.526 4.950 882 2HB LEU 111 1HB LEU 111 11.825 -5.537 6.052 883 HG LEU 111 HG LEU 111 11.870 -7.528 7.617 884 1HD1 LEU 111 1HD1 LEU 111 10.598 -8.771 5.209 885 2HD1 LEU 111 2HD1 LEU 111 10.163 -8.932 6.911 886 3HD1 LEU 111 3HD1 LEU 111 11.612 -9.724 6.293 887 1HD2 LEU 111 1HD2 LEU 111 13.679 -6.764 5.961 888 2HD2 LEU 111 2HD2 LEU 111 13.172 -8.147 4.990 889 3HD2 LEU 111 3HD2 LEU 111 13.790 -8.395 6.623 890 H THR 112 H THR 112 9.293 -4.958 4.435 891 HA THR 112 HA THR 112 9.812 -2.298 4.624 892 HB THR 112 HB THR 112 7.432 -3.527 3.218 893 HG1 THR 112 1HG THR 112 10.107 -3.106 2.384 894 1HG2 THR 112 1HG2 THR 112 8.538 -1.429 1.719 895 2HG2 THR 112 2HG2 THR 112 8.292 -0.812 3.353 896 3HG2 THR 112 3HG2 THR 112 6.941 -1.514 2.463 897 H ILE 113 H ILE 113 6.753 -3.853 5.532 898 HA ILE 113 HA ILE 113 5.330 -1.595 6.311 899 HB ILE 113 HB ILE 113 5.230 -4.389 7.457 900 1HG1 ILE 113 2HG1 ILE 113 4.698 -4.251 5.069 901 2HG1 ILE 113 1HG1 ILE 113 3.259 -4.636 6.008 902 1HG2 ILE 113 1HG2 ILE 113 3.316 -2.093 7.821 903 2HG2 ILE 113 2HG2 ILE 113 4.285 -2.877 9.072 904 3HG2 ILE 113 3HG2 ILE 113 2.981 -3.765 8.278 905 1HD1 ILE 113 1HD1 ILE 113 3.127 -1.925 5.900 906 2HD1 ILE 113 2HD1 ILE 113 2.306 -3.026 4.793 907 3HD1 ILE 113 3HD1 ILE 113 3.855 -2.313 4.342 908 H LYS 114 H LYS 114 6.709 -3.861 8.674 909 HA LYS 114 HA LYS 114 6.707 -2.132 10.845 910 1HB LYS 114 2HB LYS 114 7.003 -4.426 11.283 911 2HB LYS 114 1HB LYS 114 8.353 -4.556 10.173 912 1HG LYS 114 2HG LYS 114 8.593 -2.823 12.593 913 2HG LYS 114 1HG LYS 114 8.741 -4.572 12.752 914 1HD LYS 114 2HD LYS 114 10.491 -2.676 11.203 915 2HD LYS 114 1HD LYS 114 10.942 -3.783 12.495 916 1HE LYS 114 2HE LYS 114 10.179 -4.462 9.663 917 2HE LYS 114 1HE LYS 114 11.735 -4.707 10.452 918 1HZ LYS 114 1HZ LYS 114 10.725 -6.793 10.456 919 2HZ LYS 114 2HZ LYS 114 9.209 -6.179 10.889 920 3HZ LYS 114 3HZ LYS 114 10.463 -6.219 12.025 921 H HIS 115 H HIS 115 8.725 -2.112 8.101 922 HA HIS 115 HA HIS 115 10.870 -0.632 9.395 923 1HB HIS 115 2HB HIS 115 11.365 -2.345 7.652 924 2HB HIS 115 1HB HIS 115 10.547 -1.325 6.473 925 HD1 HIS 115 1HD HIS 115 12.928 -0.050 9.110 926 HD2 HIS 115 2HD HIS 115 12.759 -0.620 4.998 927 HE1 HIS 115 1HE HIS 115 14.983 1.071 8.190 928 HE2 HIS 115 2HE HIS 115 14.907 0.629 5.711 929 H ALA 116 H ALA 116 7.972 -0.070 7.643 930 HA ALA 116 HA ALA 116 8.688 2.575 6.728 931 1HB ALA 116 1HB ALA 116 6.033 2.523 6.398 932 2HB ALA 116 2HB ALA 116 6.345 0.789 6.488 933 3HB ALA 116 3HB ALA 116 7.158 1.768 5.268 934 H PHE 117 H PHE 117 6.534 1.209 9.209 935 HA PHE 117 HA PHE 117 5.506 3.595 10.208 936 1HB PHE 117 2HB PHE 117 5.986 0.905 11.463 937 2HB PHE 117 1HB PHE 117 5.308 2.235 12.397 938 HD1 PHE 117 1HD PHE 117 3.085 3.092 11.908 939 HD2 PHE 117 2HD PHE 117 4.717 -0.178 9.728 940 HE1 PHE 117 1HE PHE 117 0.844 2.552 11.048 941 HE2 PHE 117 2HE PHE 117 2.484 -0.719 8.869 942 HZ PHE 117 HZ PHE 117 0.542 0.645 9.523 943 H GLU 118 H GLU 118 8.605 2.083 10.729 944 HA GLU 118 HA GLU 118 9.416 3.369 13.063 945 1HB GLU 118 2HB GLU 118 10.975 2.389 10.687 946 2HB GLU 118 1HB GLU 118 11.751 3.066 12.112 947 1HG GLU 118 2HG GLU 118 10.849 1.327 13.498 948 2HG GLU 118 1HG GLU 118 9.899 0.697 12.153 949 H GLU 119 H GLU 119 8.971 4.623 9.887 950 HA GLU 119 HA GLU 119 10.528 7.025 10.485 951 1HB GLU 119 2HB GLU 119 9.043 6.445 7.929 952 2HB GLU 119 1HB GLU 119 10.368 7.573 8.182 953 1HG GLU 119 2HG GLU 119 11.622 5.334 8.865 954 2HG GLU 119 1HG GLU 119 10.413 4.642 7.785 955 H TYR 120 H TYR 120 8.028 6.412 11.880 956 HA TYR 120 HA TYR 120 6.431 8.728 11.003 957 1HB TYR 120 2HB TYR 120 5.246 6.567 10.721 958 2HB TYR 120 1HB TYR 120 5.437 6.259 12.443 959 HD1 TYR 120 1HD TYR 120 3.348 6.366 13.427 960 HD2 TYR 120 2HD TYR 120 4.423 9.329 10.570 961 HE1 TYR 120 1HE TYR 120 1.243 7.556 13.876 962 HE2 TYR 120 2HE TYR 120 2.323 10.527 11.012 963 HH TYR 120 HH TYR 120 0.402 9.953 13.663 964 H SER 121 H SER 121 8.719 8.653 12.838 965 HA SER 121 HA SER 121 7.370 9.785 15.187 966 1HB SER 121 2HB SER 121 9.306 8.842 16.564 967 2HB SER 121 1HB SER 121 8.100 7.681 16.007 968 HG SER 121 HG SER 121 10.609 7.437 15.667 Start of MODEL 10 1 1H MET 1 1HT MET 1 -1.162 3.338 16.074 2 2H MET 1 2HT MET 1 -2.756 3.518 16.685 3 3H MET 1 3HT MET 1 -2.507 2.997 15.068 4 HA MET 1 HA MET 1 -1.490 1.497 17.370 5 1HB MET 1 2HB MET 1 -4.044 2.011 17.329 6 2HB MET 1 1HB MET 1 -4.081 0.882 15.982 7 1HG MET 1 2HG MET 1 -2.838 -0.710 17.594 8 2HG MET 1 1HG MET 1 -3.432 0.373 18.850 9 1HE MET 1 1HE MET 1 -5.006 -3.218 17.871 10 2HE MET 1 2HE MET 1 -5.307 -2.557 19.478 11 3HE MET 1 3HE MET 1 -3.699 -2.437 18.762 12 H LYS 2 H LYS 2 -0.496 2.126 14.636 13 HA LYS 2 HA LYS 2 0.511 1.048 12.907 14 1HB LYS 2 2HB LYS 2 0.016 -1.407 14.597 15 2HB LYS 2 1HB LYS 2 1.093 -1.323 13.210 16 1HG LYS 2 2HG LYS 2 1.458 0.477 15.576 17 2HG LYS 2 1HG LYS 2 2.117 -1.159 15.546 18 1HD LYS 2 2HD LYS 2 3.034 -0.352 13.196 19 2HD LYS 2 1HD LYS 2 2.884 1.234 13.956 20 1HE LYS 2 2HE LYS 2 4.162 -0.853 15.595 21 2HE LYS 2 1HE LYS 2 5.064 -0.349 14.166 22 1HZ LYS 2 1HZ LYS 2 5.801 1.169 15.671 23 2HZ LYS 2 2HZ LYS 2 4.359 1.187 16.556 24 3HZ LYS 2 3HZ LYS 2 4.459 2.015 15.085 25 H ARG 3 H ARG 3 -0.854 1.343 11.227 26 HA ARG 3 HA ARG 3 -2.560 -0.913 10.508 27 1HB ARG 3 2HB ARG 3 -3.623 1.897 10.292 28 2HB ARG 3 1HB ARG 3 -4.500 0.387 10.095 29 1HG ARG 3 2HG ARG 3 -5.204 0.964 12.174 30 2HG ARG 3 1HG ARG 3 -3.763 0.041 12.607 31 1HD ARG 3 2HD ARG 3 -2.767 1.836 13.480 32 2HD ARG 3 1HD ARG 3 -3.148 2.823 12.068 33 HE ARG 3 HE ARG 3 -5.388 2.378 13.818 34 1HH1 ARG 3 1HH1 ARG 3 -2.616 4.398 13.166 35 2HH1 ARG 3 2HH1 ARG 3 -3.268 5.773 13.994 36 1HH2 ARG 3 1HH2 ARG 3 -6.246 4.185 14.905 37 2HH2 ARG 3 2HH2 ARG 3 -5.327 5.651 14.983 38 H VAL 4 H VAL 4 -2.494 -1.362 8.364 39 HA VAL 4 HA VAL 4 -1.272 0.657 6.595 40 HB VAL 4 HB VAL 4 -0.854 -2.314 6.293 41 1HG1 VAL 4 1HG1 VAL 4 1.095 -1.518 4.926 42 2HG1 VAL 4 2HG1 VAL 4 0.449 0.113 5.073 43 3HG1 VAL 4 3HG1 VAL 4 -0.489 -1.132 4.254 44 1HG2 VAL 4 1HG2 VAL 4 1.426 -1.909 7.214 45 2HG2 VAL 4 2HG2 VAL 4 0.138 -1.715 8.402 46 3HG2 VAL 4 3HG2 VAL 4 0.901 -0.294 7.690 47 H LEU 5 H LEU 5 -1.787 0.365 4.293 48 HA LEU 5 HA LEU 5 -4.487 -0.754 3.941 49 1HB LEU 5 2HB LEU 5 -4.387 1.684 3.716 50 2HB LEU 5 1HB LEU 5 -3.157 1.528 2.476 51 HG LEU 5 HG LEU 5 -4.799 0.348 1.038 52 1HD1 LEU 5 1HD1 LEU 5 -7.070 0.164 1.603 53 2HD1 LEU 5 2HD1 LEU 5 -6.895 1.219 3.003 54 3HD1 LEU 5 3HD1 LEU 5 -6.197 -0.399 3.028 55 1HD2 LEU 5 1HD2 LEU 5 -5.271 3.137 2.007 56 2HD2 LEU 5 2HD2 LEU 5 -6.332 2.431 0.787 57 3HD2 LEU 5 3HD2 LEU 5 -4.603 2.580 0.473 58 H VAL 6 H VAL 6 -4.749 -2.343 2.503 59 HA VAL 6 HA VAL 6 -2.478 -2.964 0.730 60 HB VAL 6 HB VAL 6 -4.676 -4.827 1.639 61 1HG1 VAL 6 1HG1 VAL 6 -3.657 -5.370 -0.547 62 2HG1 VAL 6 2HG1 VAL 6 -3.336 -6.589 0.686 63 3HG1 VAL 6 3HG1 VAL 6 -2.078 -5.436 0.236 64 1HG2 VAL 6 1HG2 VAL 6 -3.237 -5.704 3.251 65 2HG2 VAL 6 2HG2 VAL 6 -3.013 -3.960 3.394 66 3HG2 VAL 6 3HG2 VAL 6 -1.819 -4.935 2.539 67 H VAL 7 H VAL 7 -3.049 -1.650 -1.010 68 HA VAL 7 HA VAL 7 -5.676 -1.940 -2.204 69 HB VAL 7 HB VAL 7 -3.338 -0.376 -3.298 70 1HG1 VAL 7 1HG1 VAL 7 -5.661 -1.006 -4.525 71 2HG1 VAL 7 2HG1 VAL 7 -4.741 0.464 -4.844 72 3HG1 VAL 7 3HG1 VAL 7 -6.110 0.505 -3.734 73 1HG2 VAL 7 1HG2 VAL 7 -5.548 0.675 -1.539 74 2HG2 VAL 7 2HG2 VAL 7 -4.149 1.558 -2.150 75 3HG2 VAL 7 3HG2 VAL 7 -3.930 0.277 -0.959 76 H ASP 8 H ASP 8 -6.148 -3.472 -3.599 77 HA ASP 8 HA ASP 8 -4.340 -4.197 -5.715 78 1HB ASP 8 2HB ASP 8 -3.483 -5.625 -3.921 79 2HB ASP 8 1HB ASP 8 -5.100 -6.258 -3.629 80 H ASP 9 H ASP 9 -5.415 -5.003 -7.469 81 HA ASP 9 HA ASP 9 -8.319 -4.980 -7.297 82 1HB ASP 9 2HB ASP 9 -7.252 -3.703 -9.093 83 2HB ASP 9 1HB ASP 9 -6.485 -5.166 -9.699 84 H GLU 10 H GLU 10 -7.475 -7.113 -5.941 85 HA GLU 10 HA GLU 10 -8.495 -9.309 -7.533 86 1HB GLU 10 2HB GLU 10 -5.801 -9.061 -7.493 87 2HB GLU 10 1HB GLU 10 -6.043 -10.032 -6.047 88 1HG GLU 10 2HG GLU 10 -7.452 -10.887 -8.503 89 2HG GLU 10 1HG GLU 10 -5.702 -11.094 -8.456 90 H GLU 11 H GLU 11 -10.182 -9.766 -6.249 91 HA GLU 11 HA GLU 11 -11.382 -10.480 -4.454 92 1HB GLU 11 2HB GLU 11 -9.113 -11.989 -4.452 93 2HB GLU 11 1HB GLU 11 -9.050 -11.285 -2.842 94 1HG GLU 11 2HG GLU 11 -10.207 -13.232 -2.471 95 2HG GLU 11 1HG GLU 11 -11.513 -12.065 -2.675 96 H SER 12 H SER 12 -11.698 -10.169 -2.051 97 HA SER 12 HA SER 12 -11.543 -7.459 -1.403 98 1HB SER 12 2HB SER 12 -12.430 -8.055 0.738 99 2HB SER 12 1HB SER 12 -13.134 -9.170 -0.431 100 HG SER 12 HG SER 12 -11.639 -10.730 0.229 101 H ILE 13 H ILE 13 -9.703 -10.161 0.032 102 HA ILE 13 HA ILE 13 -7.663 -8.204 0.868 103 HB ILE 13 HB ILE 13 -7.932 -10.969 2.006 104 1HG1 ILE 13 2HG1 ILE 13 -10.072 -9.684 2.301 105 2HG1 ILE 13 1HG1 ILE 13 -9.280 -10.129 3.809 106 1HG2 ILE 13 1HG2 ILE 13 -5.928 -10.270 2.758 107 2HG2 ILE 13 2HG2 ILE 13 -6.922 -9.476 3.978 108 3HG2 ILE 13 3HG2 ILE 13 -6.334 -8.563 2.590 109 1HD1 ILE 13 1HD1 ILE 13 -8.356 -7.855 3.961 110 2HD1 ILE 13 2HD1 ILE 13 -10.119 -7.880 3.947 111 3HD1 ILE 13 3HD1 ILE 13 -9.232 -7.426 2.492 112 H THR 14 H THR 14 -5.445 -8.993 0.887 113 HA THR 14 HA THR 14 -4.877 -10.521 -1.526 114 HB THR 14 HB THR 14 -2.591 -9.712 -1.277 115 HG1 THR 14 1HG THR 14 -2.214 -8.207 0.501 116 1HG2 THR 14 1HG2 THR 14 -2.897 -7.337 -1.478 117 2HG2 THR 14 2HG2 THR 14 -4.487 -7.443 -0.724 118 3HG2 THR 14 3HG2 THR 14 -4.212 -8.168 -2.307 119 H SER 15 H SER 15 -3.869 -12.494 -1.540 120 HA SER 15 HA SER 15 -4.145 -14.137 0.719 121 1HB SER 15 2HB SER 15 -2.756 -15.769 -0.656 122 2HB SER 15 1HB SER 15 -4.234 -15.175 -1.413 123 HG SER 15 HG SER 15 -1.895 -15.108 -2.465 124 H SER 16 H SER 16 -2.750 -14.921 2.207 125 HA SER 16 HA SER 16 -0.843 -15.241 3.416 126 1HB SER 16 2HB SER 16 0.723 -13.599 1.438 127 2HB SER 16 1HB SER 16 1.302 -14.874 2.511 128 HG SER 16 HG SER 16 -0.065 -15.065 0.083 129 H LEU 17 H LEU 17 -2.263 -12.286 2.759 130 HA LEU 17 HA LEU 17 -0.477 -10.759 4.476 131 1HB LEU 17 2HB LEU 17 -2.449 -10.151 2.458 132 2HB LEU 17 1HB LEU 17 -2.799 -9.257 3.920 133 HG LEU 17 HG LEU 17 -1.087 -8.474 1.915 134 1HD1 LEU 17 1HD1 LEU 17 -0.859 -6.564 3.138 135 2HD1 LEU 17 2HD1 LEU 17 -0.656 -7.430 4.661 136 3HD1 LEU 17 3HD1 LEU 17 -2.257 -7.287 3.936 137 1HD2 LEU 17 1HD2 LEU 17 1.138 -8.567 2.634 138 2HD2 LEU 17 2HD2 LEU 17 0.532 -10.210 2.843 139 3HD2 LEU 17 3HD2 LEU 17 0.688 -9.143 4.238 140 H SER 18 H SER 18 -3.877 -11.782 4.451 141 HA SER 18 HA SER 18 -4.751 -10.733 6.824 142 1HB SER 18 2HB SER 18 -6.499 -12.282 6.757 143 2HB SER 18 1HB SER 18 -5.973 -12.228 5.074 144 HG SER 18 HG SER 18 -4.874 -14.144 5.378 145 H ALA 19 H ALA 19 -3.076 -13.845 6.400 146 HA ALA 19 HA ALA 19 -3.045 -14.561 9.122 147 1HB ALA 19 1HB ALA 19 -2.646 -16.176 7.344 148 2HB ALA 19 2HB ALA 19 -1.303 -16.162 8.486 149 3HB ALA 19 3HB ALA 19 -1.140 -15.360 6.924 150 H ILE 20 H ILE 20 -0.543 -13.040 7.100 151 HA ILE 20 HA ILE 20 1.446 -12.755 9.009 152 HB ILE 20 HB ILE 20 0.745 -11.007 6.654 153 1HG1 ILE 20 2HG1 ILE 20 3.008 -12.967 7.021 154 2HG1 ILE 20 1HG1 ILE 20 1.468 -13.381 6.275 155 1HG2 ILE 20 1HG2 ILE 20 2.919 -10.729 8.662 156 2HG2 ILE 20 2HG2 ILE 20 1.994 -9.487 7.818 157 3HG2 ILE 20 3HG2 ILE 20 3.271 -10.362 6.974 158 1HD1 ILE 20 1HD1 ILE 20 3.532 -11.442 5.283 159 2HD1 ILE 20 2HD1 ILE 20 1.905 -11.558 4.612 160 3HD1 ILE 20 3HD1 ILE 20 2.994 -12.943 4.530 161 H LEU 21 H LEU 21 -0.606 -10.046 7.942 162 HA LEU 21 HA LEU 21 -0.050 -8.242 9.903 163 1HB LEU 21 2HB LEU 21 -2.756 -8.777 8.690 164 2HB LEU 21 1HB LEU 21 -2.280 -7.297 9.505 165 HG LEU 21 HG LEU 21 -0.439 -7.984 7.371 166 1HD1 LEU 21 1HD1 LEU 21 -1.842 -8.639 5.790 167 2HD1 LEU 21 2HD1 LEU 21 -2.577 -7.038 5.864 168 3HD1 LEU 21 3HD1 LEU 21 -3.240 -8.357 6.827 169 1HD2 LEU 21 1HD2 LEU 21 -2.161 -5.599 8.007 170 2HD2 LEU 21 2HD2 LEU 21 -0.963 -5.649 6.714 171 3HD2 LEU 21 3HD2 LEU 21 -0.455 -5.822 8.395 172 H GLU 22 H GLU 22 -2.151 -11.040 10.136 173 HA GLU 22 HA GLU 22 -3.329 -10.363 12.631 174 1HB GLU 22 2HB GLU 22 -3.264 -12.712 10.863 175 2HB GLU 22 1HB GLU 22 -3.537 -13.053 12.565 176 1HG GLU 22 2HG GLU 22 -5.339 -11.215 12.402 177 2HG GLU 22 1HG GLU 22 -5.218 -11.479 10.663 178 H GLU 23 H GLU 23 -0.350 -11.911 11.696 179 HA GLU 23 HA GLU 23 0.187 -12.935 14.342 180 1HB GLU 23 2HB GLU 23 1.071 -14.261 12.606 181 2HB GLU 23 1HB GLU 23 1.713 -12.867 11.749 182 1HG GLU 23 2HG GLU 23 3.635 -12.922 12.866 183 2HG GLU 23 1HG GLU 23 2.835 -13.193 14.413 184 H GLU 24 H GLU 24 1.096 -10.185 12.354 185 HA GLU 24 HA GLU 24 3.081 -9.226 14.192 186 1HB GLU 24 2HB GLU 24 1.787 -8.062 11.743 187 2HB GLU 24 1HB GLU 24 2.896 -7.129 12.737 188 1HG GLU 24 2HG GLU 24 3.583 -9.765 11.464 189 2HG GLU 24 1HG GLU 24 3.936 -8.192 10.750 190 H GLY 25 H GLY 25 -0.290 -8.502 13.477 191 1HA GLY 25 2HA GLY 25 -1.789 -7.778 15.185 192 2HA GLY 25 1HA GLY 25 -0.429 -7.031 16.004 193 H TYR 26 H TYR 26 -0.848 -6.656 12.579 194 HA TYR 26 HA TYR 26 -1.090 -3.792 12.908 195 1HB TYR 26 2HB TYR 26 -0.729 -5.609 10.539 196 2HB TYR 26 1HB TYR 26 -1.100 -3.904 10.328 197 HD1 TYR 26 1HD TYR 26 0.480 -2.218 11.467 198 HD2 TYR 26 2HD TYR 26 1.480 -6.299 10.816 199 HE1 TYR 26 1HE TYR 26 2.863 -1.660 11.684 200 HE2 TYR 26 2HE TYR 26 3.868 -5.754 11.031 201 HH TYR 26 HH TYR 26 5.040 -2.573 10.987 202 H HIS 27 H HIS 27 -2.590 -2.883 10.934 203 HA HIS 27 HA HIS 27 -5.230 -4.141 11.188 204 1HB HIS 27 2HB HIS 27 -4.673 -1.981 12.666 205 2HB HIS 27 1HB HIS 27 -5.107 -1.166 11.167 206 HD1 HIS 27 1HD HIS 27 -7.482 -2.746 10.217 207 HD2 HIS 27 2HD HIS 27 -6.880 -1.780 14.213 208 HE1 HIS 27 1HE HIS 27 -9.757 -2.852 11.284 209 HE2 HIS 27 2HE HIS 27 -9.380 -2.180 13.683 210 HA PRO 28 HA PRO 28 -4.410 -3.187 6.790 211 1HB PRO 28 2HB PRO 28 -5.205 -5.533 5.778 212 2HB PRO 28 1HB PRO 28 -3.618 -5.341 6.535 213 1HG PRO 28 2HG PRO 28 -6.116 -6.551 7.646 214 2HG PRO 28 1HG PRO 28 -4.436 -7.090 7.818 215 1HD PRO 28 2HD PRO 28 -5.831 -5.639 9.715 216 2HD PRO 28 1HD PRO 28 -4.063 -5.709 9.598 217 H ASP 29 H ASP 29 -5.843 -2.089 5.639 218 HA ASP 29 HA ASP 29 -8.680 -2.689 6.039 219 1HB ASP 29 2HB ASP 29 -7.798 -0.377 6.630 220 2HB ASP 29 1HB ASP 29 -7.651 -0.120 4.893 221 H THR 30 H THR 30 -6.346 -3.183 3.916 222 HA THR 30 HA THR 30 -6.177 -3.620 1.680 223 HB THR 30 HB THR 30 -7.845 -5.216 0.889 224 HG1 THR 30 1HG THR 30 -9.758 -4.420 1.585 225 1HG2 THR 30 1HG2 THR 30 -7.310 -6.894 2.291 226 2HG2 THR 30 2HG2 THR 30 -7.715 -5.970 3.737 227 3HG2 THR 30 3HG2 THR 30 -6.182 -5.690 2.912 228 H ALA 31 H ALA 31 -7.399 -3.623 -0.490 229 HA ALA 31 HA ALA 31 -9.463 -1.686 -0.862 230 1HB ALA 31 1HB ALA 31 -8.187 0.133 -0.998 231 2HB ALA 31 2HB ALA 31 -7.498 -0.549 -2.472 232 3HB ALA 31 3HB ALA 31 -6.708 -0.823 -0.919 233 H LYS 32 H LYS 32 -9.758 -1.277 -3.304 234 HA LYS 32 HA LYS 32 -9.262 -3.825 -4.683 235 1HB LYS 32 2HB LYS 32 -11.260 -1.741 -5.538 236 2HB LYS 32 1HB LYS 32 -11.218 -3.449 -5.955 237 1HG LYS 32 2HG LYS 32 -11.787 -4.031 -3.654 238 2HG LYS 32 1HG LYS 32 -11.819 -2.319 -3.229 239 1HD LYS 32 2HD LYS 32 -13.668 -1.936 -4.731 240 2HD LYS 32 1HD LYS 32 -13.582 -3.598 -5.317 241 1HE LYS 32 2HE LYS 32 -14.653 -4.427 -3.514 242 2HE LYS 32 1HE LYS 32 -13.872 -3.301 -2.405 243 1HZ LYS 32 1HZ LYS 32 -16.054 -2.534 -4.263 244 2HZ LYS 32 2HZ LYS 32 -15.398 -1.600 -3.015 245 3HZ LYS 32 3HZ LYS 32 -16.306 -2.980 -2.650 246 H THR 33 H THR 33 -9.110 -0.326 -5.089 247 HA THR 33 HA THR 33 -6.913 -0.562 -6.913 248 HB THR 33 HB THR 33 -9.130 0.975 -8.141 249 HG1 THR 33 1HG THR 33 -10.364 -0.751 -7.839 250 1HG2 THR 33 1HG2 THR 33 -6.749 -0.508 -9.023 251 2HG2 THR 33 2HG2 THR 33 -7.458 0.984 -9.640 252 3HG2 THR 33 3HG2 THR 33 -8.148 -0.575 -10.092 253 H LEU 34 H LEU 34 -6.717 1.873 -7.974 254 HA LEU 34 HA LEU 34 -6.066 3.504 -5.763 255 1HB LEU 34 2HB LEU 34 -6.374 4.358 -8.642 256 2HB LEU 34 1HB LEU 34 -5.459 5.186 -7.396 257 HG LEU 34 HG LEU 34 -4.797 2.433 -8.439 258 1HD1 LEU 34 1HD1 LEU 34 -3.326 3.329 -9.932 259 2HD1 LEU 34 2HD1 LEU 34 -3.111 4.811 -9.001 260 3HD1 LEU 34 3HD1 LEU 34 -4.571 4.579 -9.962 261 1HD2 LEU 34 1HD2 LEU 34 -4.119 3.227 -6.061 262 2HD2 LEU 34 2HD2 LEU 34 -2.955 4.233 -6.924 263 3HD2 LEU 34 3HD2 LEU 34 -2.911 2.480 -7.106 264 H ARG 35 H ARG 35 -8.763 3.539 -8.048 265 HA ARG 35 HA ARG 35 -9.946 5.935 -7.179 266 1HB ARG 35 2HB ARG 35 -10.506 4.562 -9.259 267 2HB ARG 35 1HB ARG 35 -11.470 3.541 -8.200 268 1HG ARG 35 2HG ARG 35 -12.585 5.788 -7.502 269 2HG ARG 35 1HG ARG 35 -11.925 6.367 -9.033 270 1HD ARG 35 2HD ARG 35 -13.867 4.112 -8.584 271 2HD ARG 35 1HD ARG 35 -14.133 5.612 -9.472 272 HE ARG 35 HE ARG 35 -12.104 4.456 -10.827 273 1HH1 ARG 35 1HH1 ARG 35 -15.233 3.307 -9.798 274 2HH1 ARG 35 2HH1 ARG 35 -15.406 2.209 -11.127 275 1HH2 ARG 35 1HH2 ARG 35 -12.328 3.014 -12.575 276 2HH2 ARG 35 2HH2 ARG 35 -13.755 2.041 -12.701 277 H GLU 36 H GLU 36 -10.534 2.563 -6.240 278 HA GLU 36 HA GLU 36 -12.460 3.172 -4.249 279 1HB GLU 36 2HB GLU 36 -11.693 0.886 -5.464 280 2HB GLU 36 1HB GLU 36 -10.826 0.717 -3.943 281 1HG GLU 36 2HG GLU 36 -12.830 -0.355 -3.534 282 2HG GLU 36 1HG GLU 36 -13.085 1.244 -2.839 283 H ALA 37 H ALA 37 -8.963 2.852 -4.261 284 HA ALA 37 HA ALA 37 -8.647 2.870 -1.431 285 1HB ALA 37 1HB ALA 37 -6.251 3.677 -2.194 286 2HB ALA 37 2HB ALA 37 -6.834 3.150 -3.773 287 3HB ALA 37 3HB ALA 37 -6.776 2.010 -2.429 288 H GLU 38 H GLU 38 -9.079 5.322 -3.849 289 HA GLU 38 HA GLU 38 -8.075 7.507 -2.324 290 1HB GLU 38 2HB GLU 38 -9.732 7.206 -4.781 291 2HB GLU 38 1HB GLU 38 -9.725 8.761 -3.961 292 1HG GLU 38 2HG GLU 38 -7.250 8.770 -4.133 293 2HG GLU 38 1HG GLU 38 -7.357 7.300 -5.099 294 H LYS 39 H LYS 39 -11.303 6.174 -2.907 295 HA LYS 39 HA LYS 39 -12.718 8.028 -1.331 296 1HB LYS 39 2HB LYS 39 -13.916 6.650 -2.886 297 2HB LYS 39 1HB LYS 39 -13.330 5.178 -2.124 298 1HG LYS 39 2HG LYS 39 -14.966 7.099 -0.535 299 2HG LYS 39 1HG LYS 39 -15.755 6.018 -1.685 300 1HD LYS 39 2HD LYS 39 -14.210 4.232 -0.458 301 2HD LYS 39 1HD LYS 39 -14.352 5.401 0.856 302 1HE LYS 39 2HE LYS 39 -16.752 5.255 0.798 303 2HE LYS 39 1HE LYS 39 -16.695 4.233 -0.638 304 1HZ LYS 39 1HZ LYS 39 -15.484 3.452 1.953 305 2HZ LYS 39 2HZ LYS 39 -15.759 2.470 0.603 306 3HZ LYS 39 3HZ LYS 39 -17.065 3.043 1.513 307 H LYS 40 H LYS 40 -10.967 5.094 -0.555 308 HA LYS 40 HA LYS 40 -11.955 4.926 2.135 309 1HB LYS 40 2HB LYS 40 -9.677 3.555 0.717 310 2HB LYS 40 1HB LYS 40 -10.111 3.235 2.390 311 1HG LYS 40 2HG LYS 40 -12.504 2.899 1.191 312 2HG LYS 40 1HG LYS 40 -11.416 2.386 -0.099 313 1HD LYS 40 2HD LYS 40 -10.342 0.811 1.432 314 2HD LYS 40 1HD LYS 40 -11.419 1.332 2.729 315 1HE LYS 40 2HE LYS 40 -12.366 -0.654 1.902 316 2HE LYS 40 1HE LYS 40 -13.334 0.645 1.205 317 1HZ LYS 40 1HZ LYS 40 -12.877 -0.903 -0.507 318 2HZ LYS 40 2HZ LYS 40 -11.226 -0.950 -0.138 319 3HZ LYS 40 3HZ LYS 40 -11.903 0.445 -0.812 320 H ILE 41 H ILE 41 -9.010 6.148 0.584 321 HA ILE 41 HA ILE 41 -7.744 6.791 3.078 322 HB ILE 41 HB ILE 41 -7.089 7.583 0.242 323 1HG1 ILE 41 2HG1 ILE 41 -5.672 5.670 2.102 324 2HG1 ILE 41 1HG1 ILE 41 -6.871 5.164 0.917 325 1HG2 ILE 41 1HG2 ILE 41 -5.930 8.449 2.811 326 2HG2 ILE 41 2HG2 ILE 41 -5.949 9.255 1.244 327 3HG2 ILE 41 3HG2 ILE 41 -4.780 7.974 1.562 328 1HD1 ILE 41 1HD1 ILE 41 -5.110 6.663 -0.568 329 2HD1 ILE 41 2HD1 ILE 41 -5.159 4.903 -0.468 330 3HD1 ILE 41 3HD1 ILE 41 -4.069 5.815 0.575 331 H LYS 42 H LYS 42 -9.829 8.460 0.830 332 HA LYS 42 HA LYS 42 -9.348 11.103 1.392 333 1HB LYS 42 2HB LYS 42 -11.064 10.015 -0.202 334 2HB LYS 42 1HB LYS 42 -12.157 10.087 1.173 335 1HG LYS 42 2HG LYS 42 -11.208 12.617 1.147 336 2HG LYS 42 1HG LYS 42 -11.163 12.224 -0.572 337 1HD LYS 42 2HD LYS 42 -13.624 11.387 0.773 338 2HD LYS 42 1HD LYS 42 -13.358 13.132 0.788 339 1HE LYS 42 2HE LYS 42 -13.148 11.466 -1.708 340 2HE LYS 42 1HE LYS 42 -14.657 12.210 -1.180 341 1HZ LYS 42 1HZ LYS 42 -13.927 13.906 -2.433 342 2HZ LYS 42 2HZ LYS 42 -12.305 13.430 -2.354 343 3HZ LYS 42 3HZ LYS 42 -12.997 14.293 -1.074 344 H GLU 43 H GLU 43 -10.777 8.708 3.450 345 HA GLU 43 HA GLU 43 -11.310 10.786 5.460 346 1HB GLU 43 2HB GLU 43 -12.663 8.098 5.197 347 2HB GLU 43 1HB GLU 43 -13.017 9.320 6.411 348 1HG GLU 43 2HG GLU 43 -14.341 10.461 5.035 349 2HG GLU 43 1HG GLU 43 -13.206 10.335 3.693 350 H LEU 44 H LEU 44 -10.665 7.281 5.281 351 HA LEU 44 HA LEU 44 -9.620 7.038 7.862 352 1HB LEU 44 2HB LEU 44 -9.995 5.371 5.593 353 2HB LEU 44 1HB LEU 44 -8.340 5.160 6.130 354 HG LEU 44 HG LEU 44 -9.797 3.503 7.153 355 1HD1 LEU 44 1HD1 LEU 44 -8.121 3.793 8.642 356 2HD1 LEU 44 2HD1 LEU 44 -9.435 4.419 9.640 357 3HD1 LEU 44 3HD1 LEU 44 -8.384 5.533 8.766 358 1HD2 LEU 44 1HD2 LEU 44 -11.885 4.758 7.098 359 2HD2 LEU 44 2HD2 LEU 44 -11.263 5.864 8.323 360 3HD2 LEU 44 3HD2 LEU 44 -11.547 4.172 8.728 361 H PHE 45 H PHE 45 -7.724 7.526 8.755 362 HA PHE 45 HA PHE 45 -5.702 8.823 7.129 363 1HB PHE 45 2HB PHE 45 -6.554 9.547 9.485 364 2HB PHE 45 1HB PHE 45 -5.440 8.320 10.078 365 HD1 PHE 45 1HD PHE 45 -5.793 11.668 8.877 366 HD2 PHE 45 2HD PHE 45 -2.999 8.509 9.440 367 HE1 PHE 45 1HE PHE 45 -3.943 13.283 8.722 368 HE2 PHE 45 2HE PHE 45 -1.144 10.117 9.287 369 HZ PHE 45 HZ PHE 45 -1.614 12.507 8.928 370 H PHE 46 H PHE 46 -5.052 6.930 5.943 371 HA PHE 46 HA PHE 46 -3.857 4.710 7.320 372 1HB PHE 46 2HB PHE 46 -4.035 5.518 4.424 373 2HB PHE 46 1HB PHE 46 -3.096 4.123 4.941 374 HD1 PHE 46 1HD PHE 46 -6.275 5.286 3.941 375 HD2 PHE 46 2HD PHE 46 -4.352 2.351 6.347 376 HE1 PHE 46 1HE PHE 46 -8.309 3.905 3.869 377 HE2 PHE 46 2HE PHE 46 -6.383 0.961 6.279 378 HZ PHE 46 HZ PHE 46 -8.365 1.743 5.042 379 HA PRO 47 HA PRO 47 0.102 6.832 7.621 380 1HB PRO 47 2HB PRO 47 1.336 5.046 9.193 381 2HB PRO 47 1HB PRO 47 0.068 6.106 9.824 382 1HG PRO 47 2HG PRO 47 -0.101 3.241 8.989 383 2HG PRO 47 1HG PRO 47 -0.813 4.036 10.405 384 1HD PRO 47 2HD PRO 47 -2.198 3.485 8.099 385 2HD PRO 47 1HD PRO 47 -2.619 4.795 9.218 386 H VAL 48 H VAL 48 -0.504 3.603 6.477 387 HA VAL 48 HA VAL 48 1.808 3.781 4.710 388 HB VAL 48 HB VAL 48 1.241 1.243 6.218 389 1HG1 VAL 48 1HG1 VAL 48 2.713 1.654 3.981 390 2HG1 VAL 48 2HG1 VAL 48 3.020 0.372 5.153 391 3HG1 VAL 48 3HG1 VAL 48 3.935 1.878 5.233 392 1HG2 VAL 48 1HG2 VAL 48 1.763 2.825 7.892 393 2HG2 VAL 48 2HG2 VAL 48 3.088 3.491 6.937 394 3HG2 VAL 48 3HG2 VAL 48 3.213 1.864 7.607 395 H ILE 49 H ILE 49 1.261 3.223 2.703 396 HA ILE 49 HA ILE 49 -1.147 1.582 2.283 397 HB ILE 49 HB ILE 49 0.024 3.453 0.233 398 1HG1 ILE 49 2HG1 ILE 49 -0.532 4.750 2.270 399 2HG1 ILE 49 1HG1 ILE 49 -1.581 5.151 0.913 400 1HG2 ILE 49 1HG2 ILE 49 -2.374 1.760 0.475 401 2HG2 ILE 49 2HG2 ILE 49 -1.458 2.238 -0.954 402 3HG2 ILE 49 3HG2 ILE 49 -2.624 3.352 -0.240 403 1HD1 ILE 49 1HD1 ILE 49 -2.256 3.420 3.275 404 2HD1 ILE 49 2HD1 ILE 49 -3.299 3.646 1.872 405 3HD1 ILE 49 3HD1 ILE 49 -2.896 5.020 2.901 406 H VAL 50 H VAL 50 -1.077 0.025 0.553 407 HA VAL 50 HA VAL 50 1.574 -0.548 -0.541 408 HB VAL 50 HB VAL 50 -0.122 -2.572 0.926 409 1HG1 VAL 50 1HG1 VAL 50 2.278 -3.780 0.279 410 2HG1 VAL 50 2HG1 VAL 50 1.844 -2.905 -1.189 411 3HG1 VAL 50 3HG1 VAL 50 0.721 -4.074 -0.497 412 1HG2 VAL 50 1HG2 VAL 50 2.630 -2.452 1.713 413 2HG2 VAL 50 2HG2 VAL 50 1.182 -2.193 2.681 414 3HG2 VAL 50 3HG2 VAL 50 1.911 -0.846 1.809 415 H LEU 51 H LEU 51 0.941 0.004 -2.560 416 HA LEU 51 HA LEU 51 -1.492 -0.944 -3.736 417 1HB LEU 51 2HB LEU 51 -0.410 1.206 -4.342 418 2HB LEU 51 1HB LEU 51 0.900 0.304 -5.079 419 HG LEU 51 HG LEU 51 -0.727 -0.689 -6.673 420 1HD1 LEU 51 1HD1 LEU 51 -2.762 -0.561 -5.441 421 2HD1 LEU 51 2HD1 LEU 51 -2.938 0.460 -6.869 422 3HD1 LEU 51 3HD1 LEU 51 -2.629 1.192 -5.294 423 1HD2 LEU 51 1HD2 LEU 51 -0.335 2.278 -6.523 424 2HD2 LEU 51 2HD2 LEU 51 -1.210 1.537 -7.863 425 3HD2 LEU 51 3HD2 LEU 51 0.472 1.101 -7.558 426 H ASP 52 H ASP 52 -1.585 -2.192 -5.711 427 HA ASP 52 HA ASP 52 0.609 -3.970 -6.335 428 1HB ASP 52 2HB ASP 52 -0.978 -4.866 -4.359 429 2HB ASP 52 1HB ASP 52 -1.925 -5.404 -5.742 430 H VAL 53 H VAL 53 0.328 -2.722 -8.285 431 HA VAL 53 HA VAL 53 -2.009 -2.597 -9.793 432 HB VAL 53 HB VAL 53 -0.599 -2.032 -11.700 433 1HG1 VAL 53 1HG1 VAL 53 -0.806 -0.121 -10.500 434 2HG1 VAL 53 2HG1 VAL 53 0.934 -0.338 -10.313 435 3HG1 VAL 53 3HG1 VAL 53 -0.160 -0.845 -9.027 436 1HG2 VAL 53 1HG2 VAL 53 1.432 -2.892 -11.970 437 2HG2 VAL 53 2HG2 VAL 53 1.294 -3.697 -10.408 438 3HG2 VAL 53 3HG2 VAL 53 1.989 -2.080 -10.507 439 H TRP 54 H TRP 54 -2.956 -4.716 -9.671 440 HA TRP 54 HA TRP 54 -1.706 -7.027 -10.706 441 1HB TRP 54 2HB TRP 54 -3.592 -7.399 -9.329 442 2HB TRP 54 1HB TRP 54 -4.588 -6.269 -10.239 443 HD1 TRP 54 HD TRP 54 -2.634 -9.454 -11.331 444 HE1 TRP 54 1HE TRP 54 -4.245 -10.932 -12.684 445 HE3 TRP 54 3HE TRP 54 -6.849 -6.577 -11.012 446 HZ2 TRP 54 2HZ TRP 54 -6.945 -10.893 -13.506 447 HZ3 TRP 54 3HZ TRP 54 -8.903 -7.369 -12.109 448 HH2 TRP 54 HH TRP 54 -8.949 -9.482 -13.331 449 H MET 55 H MET 55 -4.660 -5.935 -12.268 450 HA MET 55 HA MET 55 -3.271 -5.353 -14.749 451 1HB MET 55 2HB MET 55 -3.733 -7.860 -14.630 452 2HB MET 55 1HB MET 55 -5.439 -7.447 -14.739 453 1HG MET 55 2HG MET 55 -4.704 -8.005 -16.917 454 2HG MET 55 1HG MET 55 -4.936 -6.258 -16.873 455 1HE MET 55 1HE MET 55 -2.964 -6.924 -19.433 456 2HE MET 55 2HE MET 55 -2.106 -5.463 -18.946 457 3HE MET 55 3HE MET 55 -3.848 -5.587 -18.698 458 HA PRO 56 HA PRO 56 -7.322 -3.124 -14.187 459 1HB PRO 56 2HB PRO 56 -6.582 -0.935 -12.754 460 2HB PRO 56 1HB PRO 56 -7.100 -2.450 -12.014 461 1HG PRO 56 2HG PRO 56 -4.448 -1.246 -12.071 462 2HG PRO 56 1HG PRO 56 -5.040 -2.593 -11.091 463 1HD PRO 56 2HD PRO 56 -3.474 -2.654 -13.550 464 2HD PRO 56 1HD PRO 56 -3.833 -3.968 -12.417 465 H ASP 57 H ASP 57 -4.955 -0.519 -13.917 466 HA ASP 57 HA ASP 57 -4.640 -0.064 -16.696 467 1HB ASP 57 2HB ASP 57 -7.044 0.537 -16.437 468 2HB ASP 57 1HB ASP 57 -6.569 1.799 -15.306 469 H GLY 58 H GLY 58 -5.167 2.125 -13.923 470 1HA GLY 58 2HA GLY 58 -3.094 3.878 -14.464 471 2HA GLY 58 1HA GLY 58 -3.751 3.587 -12.861 472 H ASP 59 H ASP 59 -1.053 4.223 -13.378 473 HA ASP 59 HA ASP 59 0.305 1.680 -12.813 474 1HB ASP 59 2HB ASP 59 1.696 4.238 -13.581 475 2HB ASP 59 1HB ASP 59 2.310 2.591 -13.676 476 H GLY 60 H GLY 60 -1.208 3.438 -10.956 477 1HA GLY 60 2HA GLY 60 -1.052 4.139 -8.783 478 2HA GLY 60 1HA GLY 60 0.384 3.137 -8.687 479 H VAL 61 H VAL 61 0.710 5.543 -11.073 480 HA VAL 61 HA VAL 61 2.616 6.951 -9.428 481 HB VAL 61 HB VAL 61 1.805 7.513 -12.284 482 1HG1 VAL 61 1HG1 VAL 61 4.380 8.158 -10.880 483 2HG1 VAL 61 2HG1 VAL 61 3.028 9.283 -11.001 484 3HG1 VAL 61 3HG1 VAL 61 3.835 8.716 -12.463 485 1HG2 VAL 61 1HG2 VAL 61 4.126 5.841 -11.339 486 2HG2 VAL 61 2HG2 VAL 61 3.612 6.123 -13.002 487 3HG2 VAL 61 3HG2 VAL 61 2.598 5.174 -11.915 488 H ASN 62 H ASN 62 -0.419 7.686 -11.136 489 HA ASN 62 HA ASN 62 -0.514 10.401 -10.410 490 1HB ASN 62 2HB ASN 62 -2.892 10.158 -11.109 491 2HB ASN 62 1HB ASN 62 -1.747 9.586 -12.305 492 1HD2 ASN 62 1HD2 ASN 62 -2.770 8.008 -13.327 493 2HD2 ASN 62 2HD2 ASN 62 -3.520 6.646 -12.575 494 H PHE 63 H PHE 63 -0.995 7.551 -8.641 495 HA PHE 63 HA PHE 63 -2.905 8.665 -6.773 496 1HB PHE 63 2HB PHE 63 -2.823 6.226 -7.492 497 2HB PHE 63 1HB PHE 63 -1.374 6.078 -6.507 498 HD1 PHE 63 1HD PHE 63 -4.356 8.095 -5.660 499 HD2 PHE 63 2HD PHE 63 -2.148 4.534 -4.911 500 HE1 PHE 63 1HE PHE 63 -5.750 7.648 -3.686 501 HE2 PHE 63 2HE PHE 63 -3.542 4.083 -2.936 502 HZ PHE 63 HZ PHE 63 -5.348 5.643 -2.325 503 H ILE 64 H ILE 64 0.539 8.242 -7.045 504 HA ILE 64 HA ILE 64 1.431 8.275 -4.454 505 HB ILE 64 HB ILE 64 2.675 10.021 -6.575 506 1HG1 ILE 64 2HG1 ILE 64 2.332 7.924 -7.674 507 2HG1 ILE 64 1HG1 ILE 64 4.016 7.966 -7.172 508 1HG2 ILE 64 1HG2 ILE 64 4.300 8.389 -4.738 509 2HG2 ILE 64 2HG2 ILE 64 3.394 9.713 -4.006 510 3HG2 ILE 64 3HG2 ILE 64 4.537 10.042 -5.308 511 1HD1 ILE 64 1HD1 ILE 64 1.782 6.491 -5.807 512 2HD1 ILE 64 2HD1 ILE 64 3.452 6.563 -5.244 513 3HD1 ILE 64 3HD1 ILE 64 3.072 5.789 -6.783 514 H ASP 65 H ASP 65 0.448 11.085 -6.392 515 HA ASP 65 HA ASP 65 0.999 13.011 -4.398 516 1HB ASP 65 2HB ASP 65 0.306 13.146 -7.027 517 2HB ASP 65 1HB ASP 65 -1.213 13.606 -6.266 518 H PHE 66 H PHE 66 -1.929 11.211 -5.248 519 HA PHE 66 HA PHE 66 -3.695 12.492 -3.500 520 1HB PHE 66 2HB PHE 66 -4.321 10.855 -5.297 521 2HB PHE 66 1HB PHE 66 -3.753 9.565 -4.242 522 HD1 PHE 66 1HD PHE 66 -4.877 9.271 -1.994 523 HD2 PHE 66 2HD PHE 66 -6.478 11.718 -5.086 524 HE1 PHE 66 1HE PHE 66 -7.088 9.181 -0.917 525 HE2 PHE 66 2HE PHE 66 -8.691 11.633 -4.015 526 HZ PHE 66 HZ PHE 66 -8.997 10.363 -1.927 527 H ILE 67 H ILE 67 -1.237 10.089 -2.968 528 HA ILE 67 HA ILE 67 -2.066 9.185 -0.426 529 HB ILE 67 HB ILE 67 0.796 9.366 -1.367 530 1HG1 ILE 67 2HG1 ILE 67 -0.110 8.224 -3.162 531 2HG1 ILE 67 1HG1 ILE 67 0.266 6.898 -2.072 532 1HG2 ILE 67 1HG2 ILE 67 1.125 8.499 0.663 533 2HG2 ILE 67 2HG2 ILE 67 0.464 7.008 -0.008 534 3HG2 ILE 67 3HG2 ILE 67 -0.583 8.118 0.877 535 1HD1 ILE 67 1HD1 ILE 67 -1.827 6.275 -2.595 536 2HD1 ILE 67 2HD1 ILE 67 -2.336 7.916 -2.992 537 3HD1 ILE 67 3HD1 ILE 67 -2.250 7.403 -1.307 538 H LYS 68 H LYS 68 0.233 11.718 -1.416 539 HA LYS 68 HA LYS 68 0.616 12.576 1.317 540 1HB LYS 68 2HB LYS 68 1.556 13.754 -1.303 541 2HB LYS 68 1HB LYS 68 2.011 14.364 0.282 542 1HG LYS 68 2HG LYS 68 2.627 11.685 0.438 543 2HG LYS 68 1HG LYS 68 3.051 12.108 -1.221 544 1HD LYS 68 2HD LYS 68 3.904 14.043 0.825 545 2HD LYS 68 1HD LYS 68 4.684 12.462 0.914 546 1HE LYS 68 2HE LYS 68 5.790 12.749 -1.040 547 2HE LYS 68 1HE LYS 68 4.474 13.664 -1.774 548 1HZ LYS 68 1HZ LYS 68 5.239 15.422 0.007 549 2HZ LYS 68 2HZ LYS 68 5.992 15.310 -1.504 550 3HZ LYS 68 3HZ LYS 68 6.712 14.605 -0.144 551 H GLU 69 H GLU 69 -1.654 13.189 -1.133 552 HA GLU 69 HA GLU 69 -2.246 15.909 -0.518 553 1HB GLU 69 2HB GLU 69 -2.820 14.689 -2.662 554 2HB GLU 69 1HB GLU 69 -4.111 13.901 -1.767 555 1HG GLU 69 2HG GLU 69 -5.148 16.043 -1.316 556 2HG GLU 69 1HG GLU 69 -3.826 16.874 -2.134 557 H ASN 70 H ASN 70 -3.499 12.790 0.539 558 HA ASN 70 HA ASN 70 -5.016 14.191 2.641 559 1HB ASN 70 2HB ASN 70 -5.864 11.489 1.667 560 2HB ASN 70 1HB ASN 70 -6.825 12.749 2.433 561 1HD2 ASN 70 1HD2 ASN 70 -4.996 12.064 -0.516 562 2HD2 ASN 70 2HD2 ASN 70 -6.048 12.926 -1.579 563 H SER 71 H SER 71 -2.279 12.664 2.295 564 HA SER 71 HA SER 71 -2.309 11.588 4.964 565 1HB SER 71 2HB SER 71 -2.546 9.833 2.658 566 2HB SER 71 1HB SER 71 -1.103 9.472 3.604 567 HG SER 71 HG SER 71 -2.339 8.635 5.070 568 HA PRO 72 HA PRO 72 1.672 13.480 3.407 569 1HB PRO 72 2HB PRO 72 1.417 15.236 5.731 570 2HB PRO 72 1HB PRO 72 1.615 15.663 4.030 571 1HG PRO 72 2HG PRO 72 -0.697 16.076 5.363 572 2HG PRO 72 1HG PRO 72 -0.651 15.685 3.635 573 1HD PRO 72 2HD PRO 72 -1.245 13.901 5.966 574 2HD PRO 72 1HD PRO 72 -2.045 13.989 4.382 575 H ASP 73 H ASP 73 0.468 12.262 6.363 576 HA ASP 73 HA ASP 73 3.189 11.788 7.368 577 1HB ASP 73 2HB ASP 73 1.628 13.003 8.880 578 2HB ASP 73 1HB ASP 73 0.580 11.589 8.881 579 H SER 74 H SER 74 1.880 10.256 5.249 580 HA SER 74 HA SER 74 1.629 7.638 6.572 581 1HB SER 74 2HB SER 74 -0.374 8.343 5.318 582 2HB SER 74 1HB SER 74 0.602 8.499 3.858 583 HG SER 74 HG SER 74 0.052 6.484 3.587 584 H VAL 75 H VAL 75 1.978 6.066 4.250 585 HA VAL 75 HA VAL 75 4.555 6.770 3.126 586 HB VAL 75 HB VAL 75 4.297 4.181 4.652 587 1HG1 VAL 75 1HG1 VAL 75 6.625 5.525 3.264 588 2HG1 VAL 75 2HG1 VAL 75 5.747 4.110 2.683 589 3HG1 VAL 75 3HG1 VAL 75 6.701 4.009 4.163 590 1HG2 VAL 75 1HG2 VAL 75 4.401 5.877 6.299 591 2HG2 VAL 75 2HG2 VAL 75 5.608 6.789 5.392 592 3HG2 VAL 75 3HG2 VAL 75 6.043 5.252 6.138 593 H VAL 76 H VAL 76 4.820 5.999 1.155 594 HA VAL 76 HA VAL 76 2.834 4.054 0.176 595 HB VAL 76 HB VAL 76 4.383 5.787 -1.700 596 1HG1 VAL 76 1HG1 VAL 76 2.565 3.843 -2.103 597 2HG1 VAL 76 2HG1 VAL 76 2.819 5.191 -3.211 598 3HG1 VAL 76 3HG1 VAL 76 1.505 5.250 -2.035 599 1HG2 VAL 76 1HG2 VAL 76 2.415 6.725 0.274 600 2HG2 VAL 76 2HG2 VAL 76 2.109 7.229 -1.388 601 3HG2 VAL 76 3HG2 VAL 76 3.646 7.620 -0.618 602 H ILE 77 H ILE 77 3.625 2.083 -0.019 603 HA ILE 77 HA ILE 77 6.447 1.683 -0.652 604 HB ILE 77 HB ILE 77 4.334 -0.371 0.024 605 1HG1 ILE 77 2HG1 ILE 77 4.779 1.222 1.871 606 2HG1 ILE 77 1HG1 ILE 77 5.307 -0.415 2.253 607 1HG2 ILE 77 1HG2 ILE 77 6.293 -1.178 -1.295 608 2HG2 ILE 77 2HG2 ILE 77 6.129 -1.926 0.293 609 3HG2 ILE 77 3HG2 ILE 77 7.333 -0.664 0.033 610 1HD1 ILE 77 1HD1 ILE 77 7.582 0.595 1.231 611 2HD1 ILE 77 2HD1 ILE 77 7.161 0.642 2.942 612 3HD1 ILE 77 3HD1 ILE 77 6.867 2.051 1.924 613 H VAL 78 H VAL 78 3.228 0.930 -1.914 614 HA VAL 78 HA VAL 78 2.520 0.096 -3.926 615 HB VAL 78 HB VAL 78 4.785 1.813 -4.965 616 1HG1 VAL 78 1HG1 VAL 78 2.155 1.182 -6.290 617 2HG1 VAL 78 2HG1 VAL 78 3.623 0.247 -6.572 618 3HG1 VAL 78 3HG1 VAL 78 3.572 1.957 -6.996 619 1HG2 VAL 78 1HG2 VAL 78 2.218 2.481 -3.691 620 2HG2 VAL 78 2HG2 VAL 78 2.568 3.345 -5.188 621 3HG2 VAL 78 3HG2 VAL 78 3.698 3.430 -3.835 622 H ILE 79 H ILE 79 3.396 -2.041 -3.223 623 HA ILE 79 HA ILE 79 5.859 -3.053 -4.010 624 HB ILE 79 HB ILE 79 3.275 -4.590 -3.803 625 1HG1 ILE 79 2HG1 ILE 79 5.353 -3.892 -1.720 626 2HG1 ILE 79 1HG1 ILE 79 3.677 -3.357 -1.757 627 1HG2 ILE 79 1HG2 ILE 79 5.643 -6.013 -3.006 628 2HG2 ILE 79 2HG2 ILE 79 5.812 -5.416 -4.657 629 3HG2 ILE 79 3HG2 ILE 79 4.441 -6.437 -4.223 630 1HD1 ILE 79 1HD1 ILE 79 3.762 -5.054 -0.151 631 2HD1 ILE 79 2HD1 ILE 79 4.746 -6.095 -1.179 632 3HD1 ILE 79 3HD1 ILE 79 3.053 -5.809 -1.579 633 H THR 80 H THR 80 3.337 -4.796 -5.552 634 HA THR 80 HA THR 80 2.868 -5.297 -7.719 635 HB THR 80 HB THR 80 2.857 -3.615 -9.297 636 HG1 THR 80 1HG THR 80 4.665 -2.754 -9.844 637 1HG2 THR 80 1HG2 THR 80 2.095 -2.768 -6.896 638 2HG2 THR 80 2HG2 THR 80 2.069 -1.741 -8.329 639 3HG2 THR 80 3HG2 THR 80 3.410 -1.630 -7.189 640 H GLY 81 H GLY 81 4.299 -5.128 -10.047 641 1HA GLY 81 2HA GLY 81 6.614 -5.469 -10.812 642 2HA GLY 81 1HA GLY 81 6.872 -6.402 -9.346 643 H HIS 82 H HIS 82 7.555 -8.217 -10.512 644 HA HIS 82 HA HIS 82 7.306 -10.241 -11.516 645 1HB HIS 82 2HB HIS 82 5.020 -9.881 -10.000 646 2HB HIS 82 1HB HIS 82 4.383 -10.304 -11.587 647 HD1 HIS 82 1HD HIS 82 4.007 -12.728 -11.798 648 HD2 HIS 82 2HD HIS 82 7.243 -11.891 -9.330 649 HE1 HIS 82 1HE HIS 82 4.866 -14.965 -11.034 650 HE2 HIS 82 2HE HIS 82 6.776 -14.431 -9.481 651 H GLY 83 H GLY 83 7.620 -8.079 -13.209 652 1HA GLY 83 2HA GLY 83 6.907 -9.130 -15.689 653 2HA GLY 83 1HA GLY 83 5.691 -7.932 -15.274 654 H SER 84 H SER 84 6.796 -5.825 -14.350 655 HA SER 84 HA SER 84 9.116 -5.167 -16.034 656 1HB SER 84 2HB SER 84 6.698 -3.390 -15.632 657 2HB SER 84 1HB SER 84 8.122 -3.010 -16.599 658 HG SER 84 HG SER 84 7.545 -4.553 -18.060 659 H VAL 85 H VAL 85 9.624 -2.637 -15.331 660 HA VAL 85 HA VAL 85 9.516 -2.353 -12.445 661 HB VAL 85 HB VAL 85 12.030 -2.010 -12.343 662 1HG1 VAL 85 1HG1 VAL 85 11.628 -4.866 -12.953 663 2HG1 VAL 85 2HG1 VAL 85 10.513 -4.159 -11.784 664 3HG1 VAL 85 3HG1 VAL 85 12.252 -4.091 -11.496 665 1HG2 VAL 85 1HG2 VAL 85 13.425 -2.943 -13.997 666 2HG2 VAL 85 2HG2 VAL 85 12.232 -1.985 -14.875 667 3HG2 VAL 85 3HG2 VAL 85 12.073 -3.740 -14.802 668 H ASP 86 H ASP 86 8.599 -0.876 -14.827 669 HA ASP 86 HA ASP 86 10.256 1.521 -14.829 670 1HB ASP 86 2HB ASP 86 7.667 0.969 -16.302 671 2HB ASP 86 1HB ASP 86 8.750 2.330 -16.573 672 H THR 87 H THR 87 6.747 0.865 -14.303 673 HA THR 87 HA THR 87 6.012 3.286 -13.281 674 HB THR 87 HB THR 87 4.561 1.220 -13.672 675 HG1 THR 87 1HG THR 87 3.096 1.888 -12.001 676 1HG2 THR 87 1HG2 THR 87 6.026 -0.006 -11.773 677 2HG2 THR 87 2HG2 THR 87 4.376 -0.459 -12.197 678 3HG2 THR 87 3HG2 THR 87 4.675 0.584 -10.808 679 H ALA 88 H ALA 88 7.842 0.757 -11.737 680 HA ALA 88 HA ALA 88 7.711 1.565 -9.076 681 1HB ALA 88 1HB ALA 88 10.173 0.434 -10.383 682 2HB ALA 88 2HB ALA 88 8.754 -0.546 -10.015 683 3HB ALA 88 3HB ALA 88 9.641 0.245 -8.714 684 H VAL 89 H VAL 89 10.274 2.254 -11.429 685 HA VAL 89 HA VAL 89 11.590 4.174 -9.873 686 HB VAL 89 HB VAL 89 12.751 4.810 -11.929 687 1HG1 VAL 89 1HG1 VAL 89 13.252 2.657 -10.713 688 2HG1 VAL 89 2HG1 VAL 89 13.780 2.728 -12.394 689 3HG1 VAL 89 3HG1 VAL 89 12.322 1.833 -11.965 690 1HG2 VAL 89 1HG2 VAL 89 12.081 4.285 -14.064 691 2HG2 VAL 89 2HG2 VAL 89 10.522 4.545 -13.285 692 3HG2 VAL 89 3HG2 VAL 89 11.117 2.906 -13.539 693 H LYS 90 H LYS 90 8.762 4.368 -11.851 694 HA LYS 90 HA LYS 90 8.825 7.233 -12.156 695 1HB LYS 90 2HB LYS 90 7.785 5.911 -13.889 696 2HB LYS 90 1HB LYS 90 6.687 5.178 -12.729 697 1HG LYS 90 2HG LYS 90 5.521 7.230 -12.421 698 2HG LYS 90 1HG LYS 90 6.728 8.120 -13.351 699 1HD LYS 90 2HD LYS 90 5.384 5.844 -14.695 700 2HD LYS 90 1HD LYS 90 4.419 7.293 -14.405 701 1HE LYS 90 2HE LYS 90 5.303 8.102 -16.285 702 2HE LYS 90 1HE LYS 90 6.807 8.282 -15.383 703 1HZ LYS 90 1HZ LYS 90 7.380 7.069 -17.271 704 2HZ LYS 90 2HZ LYS 90 6.005 6.087 -17.191 705 3HZ LYS 90 3HZ LYS 90 7.252 5.891 -16.064 706 H ALA 91 H ALA 91 7.361 4.907 -9.987 707 HA ALA 91 HA ALA 91 5.766 6.970 -8.685 708 1HB ALA 91 1HB ALA 91 4.884 5.116 -7.325 709 2HB ALA 91 2HB ALA 91 5.984 4.011 -8.149 710 3HB ALA 91 3HB ALA 91 4.708 4.824 -9.055 711 H ILE 92 H ILE 92 8.605 4.983 -8.082 712 HA ILE 92 HA ILE 92 8.835 5.852 -5.346 713 HB ILE 92 HB ILE 92 10.685 4.462 -5.130 714 1HG1 ILE 92 2HG1 ILE 92 11.055 4.665 -8.126 715 2HG1 ILE 92 1HG1 ILE 92 12.098 5.349 -6.885 716 1HG2 ILE 92 1HG2 ILE 92 9.990 2.535 -6.986 717 2HG2 ILE 92 2HG2 ILE 92 8.511 3.468 -6.779 718 3HG2 ILE 92 3HG2 ILE 92 9.293 2.740 -5.381 719 1HD1 ILE 92 1HD1 ILE 92 13.018 3.315 -7.932 720 2HD1 ILE 92 2HD1 ILE 92 11.645 2.403 -7.305 721 3HD1 ILE 92 3HD1 ILE 92 12.788 3.152 -6.192 722 H LYS 93 H LYS 93 10.674 7.036 -4.510 723 HA LYS 93 HA LYS 93 12.171 8.753 -4.466 724 1HB LYS 93 2HB LYS 93 12.581 7.601 -7.041 725 2HB LYS 93 1HB LYS 93 12.620 9.349 -7.218 726 1HG LYS 93 2HG LYS 93 14.184 9.120 -5.071 727 2HG LYS 93 1HG LYS 93 14.477 7.540 -5.800 728 1HD LYS 93 2HD LYS 93 15.002 8.704 -7.942 729 2HD LYS 93 1HD LYS 93 14.869 10.241 -7.084 730 1HE LYS 93 2HE LYS 93 16.782 8.020 -6.372 731 2HE LYS 93 1HE LYS 93 17.203 9.454 -7.309 732 1HZ LYS 93 1HZ LYS 93 17.392 10.657 -5.464 733 2HZ LYS 93 2HZ LYS 93 17.328 9.208 -4.595 734 3HZ LYS 93 3HZ LYS 93 15.918 10.111 -4.840 735 H LYS 94 H LYS 94 9.132 8.887 -5.489 736 HA LYS 94 HA LYS 94 9.192 11.809 -5.786 737 1HB LYS 94 2HB LYS 94 7.977 9.797 -7.537 738 2HB LYS 94 1HB LYS 94 6.909 11.122 -7.097 739 1HG LYS 94 2HG LYS 94 9.523 12.084 -7.862 740 2HG LYS 94 1HG LYS 94 8.793 11.100 -9.131 741 1HD LYS 94 2HD LYS 94 6.793 12.478 -9.081 742 2HD LYS 94 1HD LYS 94 7.461 13.432 -7.754 743 1HE LYS 94 2HE LYS 94 9.451 13.646 -9.566 744 2HE LYS 94 1HE LYS 94 8.058 13.507 -10.639 745 1HZ LYS 94 1HZ LYS 94 8.868 15.810 -9.644 746 2HZ LYS 94 2HZ LYS 94 7.813 15.357 -8.402 747 3HZ LYS 94 3HZ LYS 94 7.243 15.496 -9.988 748 H GLY 95 H GLY 95 8.790 9.998 -3.472 749 1HA GLY 95 2HA GLY 95 7.339 11.019 -1.680 750 2HA GLY 95 1HA GLY 95 6.011 10.727 -2.793 751 H ALA 96 H ALA 96 7.523 8.144 -3.557 752 HA ALA 96 HA ALA 96 6.161 6.503 -1.602 753 1HB ALA 96 1HB ALA 96 6.136 4.877 -3.166 754 2HB ALA 96 2HB ALA 96 7.795 5.194 -3.676 755 3HB ALA 96 3HB ALA 96 6.482 6.217 -4.260 756 H TYR 97 H TYR 97 7.647 4.243 -1.458 757 HA TYR 97 HA TYR 97 10.157 5.096 -0.173 758 1HB TYR 97 2HB TYR 97 8.428 4.607 1.496 759 2HB TYR 97 1HB TYR 97 8.206 3.007 0.803 760 HD1 TYR 97 1HD TYR 97 10.818 5.162 2.367 761 HD2 TYR 97 2HD TYR 97 9.402 1.214 1.662 762 HE1 TYR 97 1HE TYR 97 12.551 4.276 3.870 763 HE2 TYR 97 2HE TYR 97 11.128 0.317 3.163 764 HH TYR 97 HH TYR 97 12.630 1.852 5.360 765 H GLU 98 H GLU 98 9.657 4.034 -2.825 766 HA GLU 98 HA GLU 98 10.858 2.735 -4.270 767 1HB GLU 98 2HB GLU 98 12.788 1.757 -3.619 768 2HB GLU 98 1HB GLU 98 12.490 2.631 -2.129 769 1HG GLU 98 2HG GLU 98 11.181 0.391 -1.537 770 2HG GLU 98 1HG GLU 98 12.325 -0.268 -2.703 771 H PHE 99 H PHE 99 10.265 0.978 -5.417 772 HA PHE 99 HA PHE 99 7.913 -0.386 -4.658 773 1HB PHE 99 2HB PHE 99 9.741 -0.359 -6.962 774 2HB PHE 99 1HB PHE 99 8.897 -1.880 -6.719 775 HD1 PHE 99 1HD PHE 99 7.555 1.473 -5.928 776 HD2 PHE 99 2HD PHE 99 7.482 -1.840 -8.600 777 HE1 PHE 99 1HE PHE 99 5.565 2.409 -7.033 778 HE2 PHE 99 2HE PHE 99 5.493 -0.908 -9.709 779 HZ PHE 99 HZ PHE 99 4.531 1.219 -8.923 780 H LEU 100 H LEU 100 7.605 -2.219 -3.573 781 HA LEU 100 HA LEU 100 9.796 -3.560 -2.340 782 1HB LEU 100 2HB LEU 100 7.310 -3.233 -1.568 783 2HB LEU 100 1HB LEU 100 7.037 -4.710 -2.465 784 HG LEU 100 HG LEU 100 7.628 -5.891 -0.679 785 1HD1 LEU 100 1HD1 LEU 100 9.892 -5.854 -1.645 786 2HD1 LEU 100 2HD1 LEU 100 9.904 -5.978 0.113 787 3HD1 LEU 100 3HD1 LEU 100 10.268 -4.438 -0.665 788 1HD2 LEU 100 1HD2 LEU 100 8.477 -3.326 0.649 789 2HD2 LEU 100 2HD2 LEU 100 8.065 -4.846 1.443 790 3HD2 LEU 100 3HD2 LEU 100 6.823 -3.934 0.585 791 H GLU 101 H GLU 101 11.044 -5.049 -3.256 792 HA GLU 101 HA GLU 101 10.265 -6.341 -5.708 793 1HB GLU 101 2HB GLU 101 12.735 -6.168 -4.064 794 2HB GLU 101 1HB GLU 101 12.565 -7.570 -5.111 795 1HG GLU 101 2HG GLU 101 12.935 -6.384 -6.967 796 2HG GLU 101 1HG GLU 101 11.947 -5.030 -6.417 797 H LYS 102 H LYS 102 10.778 -8.775 -5.892 798 HA LYS 102 HA LYS 102 10.210 -10.915 -5.399 799 1HB LYS 102 2HB LYS 102 10.597 -9.906 -2.579 800 2HB LYS 102 1HB LYS 102 10.260 -11.587 -2.965 801 1HG LYS 102 2HG LYS 102 12.564 -10.199 -4.258 802 2HG LYS 102 1HG LYS 102 12.705 -10.807 -2.607 803 1HD LYS 102 2HD LYS 102 12.616 -12.990 -3.258 804 2HD LYS 102 1HD LYS 102 11.580 -12.645 -4.646 805 1HE LYS 102 2HE LYS 102 13.583 -11.537 -5.710 806 2HE LYS 102 1HE LYS 102 14.549 -12.217 -4.401 807 1HZ LYS 102 1HZ LYS 102 13.128 -13.624 -6.567 808 2HZ LYS 102 2HZ LYS 102 13.502 -14.428 -5.127 809 3HZ LYS 102 3HZ LYS 102 14.740 -13.775 -6.080 810 HA PRO 103 HA PRO 103 5.850 -9.327 -4.537 811 1HB PRO 103 2HB PRO 103 5.337 -10.304 -7.260 812 2HB PRO 103 1HB PRO 103 4.944 -8.743 -6.539 813 1HG PRO 103 2HG PRO 103 6.879 -9.016 -8.390 814 2HG PRO 103 1HG PRO 103 6.986 -7.828 -7.077 815 1HD PRO 103 2HD PRO 103 8.333 -10.487 -7.344 816 2HD PRO 103 1HD PRO 103 8.967 -8.958 -6.707 817 H PHE 104 H PHE 104 7.406 -12.204 -5.404 818 HA PHE 104 HA PHE 104 5.133 -13.929 -5.460 819 1HB PHE 104 2HB PHE 104 7.595 -14.274 -6.358 820 2HB PHE 104 1HB PHE 104 7.852 -14.943 -4.750 821 HD1 PHE 104 1HD PHE 104 7.062 -15.755 -8.013 822 HD2 PHE 104 2HD PHE 104 5.889 -16.629 -4.017 823 HE1 PHE 104 1HE PHE 104 6.121 -17.901 -8.763 824 HE2 PHE 104 2HE PHE 104 4.947 -18.778 -4.760 825 HZ PHE 104 HZ PHE 104 5.063 -19.416 -7.135 826 H SER 105 H SER 105 7.728 -13.478 -3.050 827 HA SER 105 HA SER 105 6.045 -14.773 -1.044 828 1HB SER 105 2HB SER 105 8.842 -13.787 -0.549 829 2HB SER 105 1HB SER 105 7.984 -15.121 0.224 830 HG SER 105 HG SER 105 8.250 -16.343 -1.602 831 H VAL 106 H VAL 106 4.802 -13.597 0.236 832 HA VAL 106 HA VAL 106 5.089 -10.736 0.396 833 HB VAL 106 HB VAL 106 2.862 -11.733 0.340 834 1HG1 VAL 106 1HG1 VAL 106 3.847 -13.173 2.757 835 2HG1 VAL 106 2HG1 VAL 106 2.928 -13.779 1.380 836 3HG1 VAL 106 3HG1 VAL 106 2.130 -12.801 2.611 837 1HG2 VAL 106 1HG2 VAL 106 2.426 -10.737 2.940 838 2HG2 VAL 106 2HG2 VAL 106 2.241 -9.889 1.406 839 3HG2 VAL 106 3HG2 VAL 106 3.778 -9.831 2.267 840 H GLU 107 H GLU 107 5.888 -13.493 2.406 841 HA GLU 107 HA GLU 107 6.149 -12.448 4.902 842 1HB GLU 107 2HB GLU 107 6.757 -14.786 4.006 843 2HB GLU 107 1HB GLU 107 8.358 -14.111 3.739 844 1HG GLU 107 2HG GLU 107 8.390 -13.467 6.151 845 2HG GLU 107 1HG GLU 107 6.897 -14.383 6.346 846 H ARG 108 H ARG 108 8.207 -11.852 2.127 847 HA ARG 108 HA ARG 108 10.269 -10.485 3.546 848 1HB ARG 108 2HB ARG 108 10.262 -11.521 1.136 849 2HB ARG 108 1HB ARG 108 9.647 -9.943 0.664 850 1HG ARG 108 2HG ARG 108 11.651 -8.991 0.842 851 2HG ARG 108 1HG ARG 108 11.974 -9.763 2.395 852 1HD ARG 108 2HD ARG 108 12.789 -11.723 1.361 853 2HD ARG 108 1HD ARG 108 12.153 -11.247 -0.213 854 HE ARG 108 HE ARG 108 14.068 -10.066 -0.566 855 1HH1 ARG 108 1HH1 ARG 108 13.725 -10.591 2.866 856 2HH1 ARG 108 2HH1 ARG 108 15.267 -9.902 3.252 857 1HH2 ARG 108 1HH2 ARG 108 16.096 -9.160 -0.061 858 2HH2 ARG 108 2HH2 ARG 108 16.611 -9.086 1.591 859 H PHE 109 H PHE 109 7.334 -9.522 1.861 860 HA PHE 109 HA PHE 109 7.640 -6.753 1.906 861 1HB PHE 109 2HB PHE 109 5.848 -7.529 0.615 862 2HB PHE 109 1HB PHE 109 5.265 -8.595 1.883 863 HD1 PHE 109 1HD PHE 109 6.063 -4.971 2.091 864 HD2 PHE 109 2HD PHE 109 3.050 -7.973 2.158 865 HE1 PHE 109 1HE PHE 109 4.401 -3.283 2.749 866 HE2 PHE 109 2HE PHE 109 1.382 -6.291 2.816 867 HZ PHE 109 HZ PHE 109 2.056 -3.943 3.114 868 H LEU 110 H LEU 110 6.769 -9.011 4.409 869 HA LEU 110 HA LEU 110 5.565 -7.417 6.306 870 1HB LEU 110 2HB LEU 110 6.503 -9.970 6.202 871 2HB LEU 110 1HB LEU 110 7.569 -9.244 7.388 872 HG LEU 110 HG LEU 110 4.583 -9.008 7.613 873 1HD1 LEU 110 1HD1 LEU 110 4.806 -10.911 9.264 874 2HD1 LEU 110 2HD1 LEU 110 6.370 -11.247 8.519 875 3HD1 LEU 110 3HD1 LEU 110 4.895 -11.343 7.557 876 1HD2 LEU 110 1HD2 LEU 110 6.904 -8.204 9.174 877 2HD2 LEU 110 2HD2 LEU 110 5.727 -9.120 10.116 878 3HD2 LEU 110 3HD2 LEU 110 5.231 -7.656 9.267 879 H LEU 111 H LEU 111 9.006 -7.841 5.653 880 HA LEU 111 HA LEU 111 10.041 -6.385 7.788 881 1HB LEU 111 2HB LEU 111 11.074 -6.859 5.007 882 2HB LEU 111 1HB LEU 111 11.996 -5.980 6.212 883 HG LEU 111 HG LEU 111 11.732 -8.065 7.684 884 1HD1 LEU 111 1HD1 LEU 111 10.822 -9.112 5.022 885 2HD1 LEU 111 2HD1 LEU 111 10.058 -9.297 6.601 886 3HD1 LEU 111 3HD1 LEU 111 11.555 -10.157 6.239 887 1HD2 LEU 111 1HD2 LEU 111 13.477 -7.654 5.333 888 2HD2 LEU 111 2HD2 LEU 111 13.502 -9.256 6.070 889 3HD2 LEU 111 3HD2 LEU 111 13.890 -7.834 7.038 890 H THR 112 H THR 112 9.542 -5.234 4.448 891 HA THR 112 HA THR 112 10.200 -2.601 4.754 892 HB THR 112 HB THR 112 7.935 -3.726 3.098 893 HG1 THR 112 1HG THR 112 10.682 -3.294 2.569 894 1HG2 THR 112 1HG2 THR 112 9.334 -1.449 1.990 895 2HG2 THR 112 2HG2 THR 112 8.487 -1.050 3.485 896 3HG2 THR 112 3HG2 THR 112 7.603 -1.758 2.133 897 H ILE 113 H ILE 113 7.108 -4.114 5.570 898 HA ILE 113 HA ILE 113 5.614 -1.845 6.164 899 HB ILE 113 HB ILE 113 5.564 -4.602 7.390 900 1HG1 ILE 113 2HG1 ILE 113 4.894 -4.365 5.018 901 2HG1 ILE 113 1HG1 ILE 113 3.559 -4.884 6.042 902 1HG2 ILE 113 1HG2 ILE 113 3.725 -2.283 7.937 903 2HG2 ILE 113 2HG2 ILE 113 4.700 -3.185 9.097 904 3HG2 ILE 113 3HG2 ILE 113 3.327 -3.961 8.307 905 1HD1 ILE 113 1HD1 ILE 113 3.234 -2.199 6.093 906 2HD1 ILE 113 2HD1 ILE 113 2.430 -3.288 4.961 907 3HD1 ILE 113 3HD1 ILE 113 3.896 -2.435 4.476 908 H LYS 114 H LYS 114 7.155 -3.898 8.641 909 HA LYS 114 HA LYS 114 7.022 -2.028 10.710 910 1HB LYS 114 2HB LYS 114 7.450 -4.400 11.104 911 2HB LYS 114 1HB LYS 114 9.005 -4.273 10.296 912 1HG LYS 114 2HG LYS 114 8.536 -2.463 12.587 913 2HG LYS 114 1HG LYS 114 8.736 -4.180 12.941 914 1HD LYS 114 2HD LYS 114 10.933 -4.089 12.560 915 2HD LYS 114 1HD LYS 114 10.702 -3.242 11.029 916 1HE LYS 114 2HE LYS 114 11.672 -1.506 12.053 917 2HE LYS 114 1HE LYS 114 10.119 -1.295 12.857 918 1HZ LYS 114 1HZ LYS 114 11.289 -1.505 14.727 919 2HZ LYS 114 2HZ LYS 114 12.638 -2.151 13.939 920 3HZ LYS 114 3HZ LYS 114 11.353 -3.159 14.384 921 H HIS 115 H HIS 115 8.992 -2.060 7.953 922 HA HIS 115 HA HIS 115 11.099 -0.433 9.126 923 1HB HIS 115 2HB HIS 115 11.461 -2.261 7.355 924 2HB HIS 115 1HB HIS 115 10.819 -1.089 6.208 925 HD1 HIS 115 1HD HIS 115 12.342 1.320 7.831 926 HD2 HIS 115 2HD HIS 115 13.991 -2.091 6.124 927 HE1 HIS 115 1HE HIS 115 14.757 1.881 7.406 928 HE2 HIS 115 2HE HIS 115 15.755 -0.229 6.458 929 H ALA 116 H ALA 116 8.157 -0.105 7.382 930 HA ALA 116 HA ALA 116 8.710 2.558 6.394 931 1HB ALA 116 1HB ALA 116 6.079 2.298 6.001 932 2HB ALA 116 2HB ALA 116 6.508 0.595 6.154 933 3HB ALA 116 3HB ALA 116 7.280 1.591 4.921 934 H PHE 117 H PHE 117 6.897 1.046 9.008 935 HA PHE 117 HA PHE 117 5.577 3.381 9.907 936 1HB PHE 117 2HB PHE 117 6.151 0.688 11.075 937 2HB PHE 117 1HB PHE 117 5.552 1.964 12.129 938 HD1 PHE 117 1HD PHE 117 3.428 3.225 11.243 939 HD2 PHE 117 2HD PHE 117 4.636 -0.657 9.986 940 HE1 PHE 117 1HE PHE 117 1.127 2.747 10.520 941 HE2 PHE 117 2HE PHE 117 2.336 -1.142 9.260 942 HZ PHE 117 HZ PHE 117 0.578 0.566 9.525 943 H GLU 118 H GLU 118 8.717 1.976 10.599 944 HA GLU 118 HA GLU 118 9.271 3.796 12.765 945 1HB GLU 118 2HB GLU 118 11.070 1.877 11.282 946 2HB GLU 118 1HB GLU 118 11.528 2.781 12.719 947 1HG GLU 118 2HG GLU 118 9.327 0.735 12.560 948 2HG GLU 118 1HG GLU 118 10.931 0.477 13.242 949 H GLU 119 H GLU 119 9.657 3.785 9.338 950 HA GLU 119 HA GLU 119 11.686 5.865 9.372 951 1HB GLU 119 2HB GLU 119 10.262 4.450 7.128 952 2HB GLU 119 1HB GLU 119 11.426 5.743 6.873 953 1HG GLU 119 2HG GLU 119 12.131 3.293 8.444 954 2HG GLU 119 1HG GLU 119 12.237 3.327 6.684 955 H TYR 120 H TYR 120 8.634 6.064 10.171 956 HA TYR 120 HA TYR 120 8.371 8.772 9.198 957 1HB TYR 120 2HB TYR 120 7.190 6.832 7.673 958 2HB TYR 120 1HB TYR 120 5.881 7.267 8.766 959 HD1 TYR 120 1HD TYR 120 5.646 9.940 9.073 960 HD2 TYR 120 2HD TYR 120 7.293 7.973 5.679 961 HE1 TYR 120 1HE TYR 120 5.154 11.917 7.696 962 HE2 TYR 120 2HE TYR 120 6.807 9.945 4.293 963 HH TYR 120 HH TYR 120 6.489 12.646 4.982 964 H SER 121 H SER 121 8.798 7.704 11.765 965 HA SER 121 HA SER 121 6.404 8.706 13.107 966 1HB SER 121 2HB SER 121 6.632 6.831 14.809 967 2HB SER 121 1HB SER 121 6.004 6.359 13.230 968 HG SER 121 HG SER 121 8.691 6.082 14.111 Start of MODEL 11 1 1H MET 1 1HT MET 1 0.051 2.463 18.484 2 2H MET 1 2HT MET 1 0.078 0.757 18.294 3 3H MET 1 3HT MET 1 -1.141 1.499 19.249 4 HA MET 1 HA MET 1 -2.197 1.006 17.304 5 1HB MET 1 2HB MET 1 -1.218 3.829 17.516 6 2HB MET 1 1HB MET 1 -2.228 3.371 16.153 7 1HG MET 1 2HG MET 1 -3.810 4.104 17.614 8 2HG MET 1 1HG MET 1 -3.774 2.390 18.023 9 1HE MET 1 1HE MET 1 -2.498 1.592 20.743 10 2HE MET 1 2HE MET 1 -4.085 1.729 19.987 11 3HE MET 1 3HE MET 1 -3.779 2.503 21.541 12 H LYS 2 H LYS 2 -2.046 0.202 15.295 13 HA LYS 2 HA LYS 2 -0.042 1.115 13.440 14 1HB LYS 2 2HB LYS 2 0.446 -1.195 15.072 15 2HB LYS 2 1HB LYS 2 0.361 -1.654 13.378 16 1HG LYS 2 2HG LYS 2 2.563 -1.157 13.484 17 2HG LYS 2 1HG LYS 2 1.950 0.459 13.129 18 1HD LYS 2 2HD LYS 2 2.537 1.252 15.146 19 2HD LYS 2 1HD LYS 2 1.986 -0.203 15.981 20 1HE LYS 2 2HE LYS 2 4.133 -0.705 16.296 21 2HE LYS 2 1HE LYS 2 4.226 -1.031 14.566 22 1HZ LYS 2 1HZ LYS 2 5.749 0.755 15.830 23 2HZ LYS 2 2HZ LYS 2 4.484 1.757 15.322 24 3HZ LYS 2 3HZ LYS 2 5.358 0.855 14.188 25 H ARG 3 H ARG 3 -1.003 1.190 11.530 26 HA ARG 3 HA ARG 3 -2.779 -0.979 10.715 27 1HB ARG 3 2HB ARG 3 -3.676 1.847 10.251 28 2HB ARG 3 1HB ARG 3 -4.623 0.367 10.220 29 1HG ARG 3 2HG ARG 3 -5.316 1.365 12.178 30 2HG ARG 3 1HG ARG 3 -4.077 0.245 12.745 31 1HD ARG 3 2HD ARG 3 -2.940 1.932 13.635 32 2HD ARG 3 1HD ARG 3 -2.818 2.702 12.054 33 HE ARG 3 HE ARG 3 -5.348 3.148 13.316 34 1HH1 ARG 3 1HH1 ARG 3 -2.037 4.240 13.150 35 2HH1 ARG 3 2HH1 ARG 3 -2.409 5.845 13.684 36 1HH2 ARG 3 1HH2 ARG 3 -5.837 5.259 14.020 37 2HH2 ARG 3 2HH2 ARG 3 -4.566 6.424 14.178 38 H VAL 4 H VAL 4 -2.742 -1.397 8.550 39 HA VAL 4 HA VAL 4 -1.195 0.437 6.845 40 HB VAL 4 HB VAL 4 -1.003 -2.580 6.836 41 1HG1 VAL 4 1HG1 VAL 4 0.071 -0.474 5.003 42 2HG1 VAL 4 2HG1 VAL 4 -0.699 -2.012 4.612 43 3HG1 VAL 4 3HG1 VAL 4 0.950 -1.985 5.237 44 1HG2 VAL 4 1HG2 VAL 4 1.089 -0.529 7.551 45 2HG2 VAL 4 2HG2 VAL 4 1.262 -2.282 7.608 46 3HG2 VAL 4 3HG2 VAL 4 0.161 -1.469 8.720 47 H LEU 5 H LEU 5 -1.685 0.332 4.575 48 HA LEU 5 HA LEU 5 -4.385 -0.713 4.037 49 1HB LEU 5 2HB LEU 5 -4.188 1.765 4.044 50 2HB LEU 5 1HB LEU 5 -3.018 1.645 2.745 51 HG LEU 5 HG LEU 5 -4.768 0.609 1.315 52 1HD1 LEU 5 1HD1 LEU 5 -6.940 0.319 1.977 53 2HD1 LEU 5 2HD1 LEU 5 -6.833 1.538 3.247 54 3HD1 LEU 5 3HD1 LEU 5 -6.093 -0.046 3.479 55 1HD2 LEU 5 1HD2 LEU 5 -6.089 3.097 2.070 56 2HD2 LEU 5 2HD2 LEU 5 -5.300 2.643 0.559 57 3HD2 LEU 5 3HD2 LEU 5 -4.341 3.258 1.905 58 H VAL 6 H VAL 6 -4.682 -2.036 2.328 59 HA VAL 6 HA VAL 6 -2.353 -2.501 0.570 60 HB VAL 6 HB VAL 6 -4.406 -4.580 1.295 61 1HG1 VAL 6 1HG1 VAL 6 -3.141 -4.880 -0.814 62 2HG1 VAL 6 2HG1 VAL 6 -2.829 -6.147 0.374 63 3HG1 VAL 6 3HG1 VAL 6 -1.646 -4.864 0.121 64 1HG2 VAL 6 1HG2 VAL 6 -2.933 -5.462 2.933 65 2HG2 VAL 6 2HG2 VAL 6 -3.094 -3.739 3.275 66 3HG2 VAL 6 3HG2 VAL 6 -1.646 -4.348 2.472 67 H VAL 7 H VAL 7 -2.868 -1.444 -1.273 68 HA VAL 7 HA VAL 7 -5.567 -1.683 -2.366 69 HB VAL 7 HB VAL 7 -3.236 -0.119 -3.488 70 1HG1 VAL 7 1HG1 VAL 7 -5.234 -0.776 -4.955 71 2HG1 VAL 7 2HG1 VAL 7 -4.755 0.921 -4.919 72 3HG1 VAL 7 3HG1 VAL 7 -6.150 0.378 -3.985 73 1HG2 VAL 7 1HG2 VAL 7 -5.174 0.505 -1.339 74 2HG2 VAL 7 2HG2 VAL 7 -4.826 1.785 -2.501 75 3HG2 VAL 7 3HG2 VAL 7 -3.517 1.060 -1.568 76 H ASP 8 H ASP 8 -6.030 -3.310 -3.702 77 HA ASP 8 HA ASP 8 -4.237 -4.014 -5.842 78 1HB ASP 8 2HB ASP 8 -3.264 -5.348 -4.040 79 2HB ASP 8 1HB ASP 8 -4.841 -6.038 -3.673 80 H ASP 9 H ASP 9 -5.212 -5.507 -7.360 81 HA ASP 9 HA ASP 9 -8.102 -5.219 -7.401 82 1HB ASP 9 2HB ASP 9 -6.902 -4.612 -9.420 83 2HB ASP 9 1HB ASP 9 -6.151 -6.199 -9.502 84 H GLU 10 H GLU 10 -7.537 -6.877 -5.421 85 HA GLU 10 HA GLU 10 -8.309 -9.514 -6.469 86 1HB GLU 10 2HB GLU 10 -6.029 -8.813 -4.779 87 2HB GLU 10 1HB GLU 10 -7.034 -10.073 -4.078 88 1HG GLU 10 2HG GLU 10 -6.852 -11.292 -6.267 89 2HG GLU 10 1HG GLU 10 -5.638 -10.102 -6.738 90 H GLU 11 H GLU 11 -9.977 -10.504 -5.438 91 HA GLU 11 HA GLU 11 -11.425 -8.912 -3.486 92 1HB GLU 11 2HB GLU 11 -12.080 -11.183 -5.292 93 2HB GLU 11 1HB GLU 11 -13.032 -11.017 -3.822 94 1HG GLU 11 2HG GLU 11 -14.266 -9.834 -5.365 95 2HG GLU 11 1HG GLU 11 -13.336 -8.568 -4.565 96 H SER 12 H SER 12 -12.238 -9.779 -1.510 97 HA SER 12 HA SER 12 -12.061 -10.852 0.483 98 1HB SER 12 2HB SER 12 -10.746 -13.205 -0.829 99 2HB SER 12 1HB SER 12 -11.937 -13.173 0.473 100 HG SER 12 HG SER 12 -13.421 -13.356 -0.986 101 H ILE 13 H ILE 13 -10.143 -9.058 0.211 102 HA ILE 13 HA ILE 13 -8.105 -8.381 0.924 103 HB ILE 13 HB ILE 13 -8.137 -11.011 2.340 104 1HG1 ILE 13 2HG1 ILE 13 -10.154 -9.613 2.760 105 2HG1 ILE 13 1HG1 ILE 13 -9.193 -9.916 4.203 106 1HG2 ILE 13 1HG2 ILE 13 -5.953 -10.212 2.545 107 2HG2 ILE 13 2HG2 ILE 13 -6.742 -9.701 4.037 108 3HG2 ILE 13 3HG2 ILE 13 -6.494 -8.544 2.730 109 1HD1 ILE 13 1HD1 ILE 13 -8.144 -7.569 3.266 110 2HD1 ILE 13 2HD1 ILE 13 -9.344 -7.727 4.547 111 3HD1 ILE 13 3HD1 ILE 13 -9.859 -7.412 2.890 112 H THR 14 H THR 14 -5.748 -8.985 0.965 113 HA THR 14 HA THR 14 -5.129 -10.510 -1.434 114 HB THR 14 HB THR 14 -2.986 -9.451 -1.390 115 HG1 THR 14 1HG THR 14 -2.140 -9.220 0.506 116 1HG2 THR 14 1HG2 THR 14 -3.476 -7.078 -1.275 117 2HG2 THR 14 2HG2 THR 14 -4.991 -7.420 -0.438 118 3HG2 THR 14 3HG2 THR 14 -4.766 -7.949 -2.105 119 H SER 15 H SER 15 -4.586 -12.577 -1.302 120 HA SER 15 HA SER 15 -4.333 -14.068 0.989 121 1HB SER 15 2HB SER 15 -3.521 -15.849 -0.367 122 2HB SER 15 1HB SER 15 -4.597 -14.903 -1.395 123 HG SER 15 HG SER 15 -2.671 -13.838 -2.179 124 H SER 16 H SER 16 -2.710 -14.771 2.296 125 HA SER 16 HA SER 16 -0.600 -15.034 3.165 126 1HB SER 16 2HB SER 16 0.593 -13.105 1.197 127 2HB SER 16 1HB SER 16 1.346 -14.478 2.009 128 HG SER 16 HG SER 16 0.764 -15.676 0.397 129 H LEU 17 H LEU 17 -2.080 -11.981 2.529 130 HA LEU 17 HA LEU 17 -0.389 -10.557 4.404 131 1HB LEU 17 2HB LEU 17 -2.352 -9.884 2.367 132 2HB LEU 17 1HB LEU 17 -2.614 -8.976 3.836 133 HG LEU 17 HG LEU 17 -0.918 -8.285 1.777 134 1HD1 LEU 17 1HD1 LEU 17 -0.494 -6.393 3.018 135 2HD1 LEU 17 2HD1 LEU 17 -0.435 -7.276 4.543 136 3HD1 LEU 17 3HD1 LEU 17 -1.983 -6.989 3.749 137 1HD2 LEU 17 1HD2 LEU 17 1.318 -8.484 2.438 138 2HD2 LEU 17 2HD2 LEU 17 0.639 -10.093 2.683 139 3HD2 LEU 17 3HD2 LEU 17 0.884 -9.021 4.061 140 H SER 18 H SER 18 -3.776 -11.609 4.202 141 HA SER 18 HA SER 18 -4.740 -10.608 6.577 142 1HB SER 18 2HB SER 18 -6.206 -11.714 5.000 143 2HB SER 18 1HB SER 18 -5.380 -13.253 5.249 144 HG SER 18 HG SER 18 -6.459 -13.546 7.041 145 H ALA 19 H ALA 19 -3.055 -13.698 6.076 146 HA ALA 19 HA ALA 19 -3.170 -14.545 8.765 147 1HB ALA 19 1HB ALA 19 -1.689 -15.352 6.337 148 2HB ALA 19 2HB ALA 19 -2.639 -16.320 7.465 149 3HB ALA 19 3HB ALA 19 -0.995 -15.836 7.885 150 H ILE 20 H ILE 20 -0.615 -12.905 6.919 151 HA ILE 20 HA ILE 20 1.297 -12.744 8.944 152 HB ILE 20 HB ILE 20 0.764 -10.912 6.606 153 1HG1 ILE 20 2HG1 ILE 20 2.961 -12.936 6.999 154 2HG1 ILE 20 1HG1 ILE 20 1.433 -13.312 6.209 155 1HG2 ILE 20 1HG2 ILE 20 2.836 -10.774 8.731 156 2HG2 ILE 20 2HG2 ILE 20 2.008 -9.475 7.872 157 3HG2 ILE 20 3HG2 ILE 20 3.299 -10.376 7.076 158 1HD1 ILE 20 1HD1 ILE 20 3.544 -11.379 5.303 159 2HD1 ILE 20 2HD1 ILE 20 1.937 -11.480 4.582 160 3HD1 ILE 20 3HD1 ILE 20 3.021 -12.869 4.516 161 H LEU 21 H LEU 21 -0.609 -9.960 7.813 162 HA LEU 21 HA LEU 21 -0.153 -8.223 9.857 163 1HB LEU 21 2HB LEU 21 -2.785 -8.639 8.449 164 2HB LEU 21 1HB LEU 21 -2.299 -7.188 9.306 165 HG LEU 21 HG LEU 21 -0.359 -7.943 7.281 166 1HD1 LEU 21 1HD1 LEU 21 -1.679 -8.483 5.592 167 2HD1 LEU 21 2HD1 LEU 21 -2.387 -6.871 5.682 168 3HD1 LEU 21 3HD1 LEU 21 -3.125 -8.208 6.563 169 1HD2 LEU 21 1HD2 LEU 21 -1.793 -5.552 8.261 170 2HD2 LEU 21 2HD2 LEU 21 -1.192 -5.502 6.603 171 3HD2 LEU 21 3HD2 LEU 21 -0.078 -5.799 7.936 172 H GLU 22 H GLU 22 -2.326 -10.972 9.873 173 HA GLU 22 HA GLU 22 -3.656 -10.291 12.302 174 1HB GLU 22 2HB GLU 22 -3.505 -12.726 10.587 175 2HB GLU 22 1HB GLU 22 -4.179 -12.852 12.205 176 1HG GLU 22 2HG GLU 22 -5.855 -11.196 11.673 177 2HG GLU 22 1HG GLU 22 -5.151 -10.964 10.073 178 H GLU 23 H GLU 23 -0.730 -12.015 11.496 179 HA GLU 23 HA GLU 23 -0.432 -13.129 14.146 180 1HB GLU 23 2HB GLU 23 0.441 -14.488 12.427 181 2HB GLU 23 1HB GLU 23 1.250 -13.135 11.650 182 1HG GLU 23 2HG GLU 23 3.093 -13.420 12.847 183 2HG GLU 23 1HG GLU 23 2.190 -13.563 14.355 184 H GLU 24 H GLU 24 0.807 -10.427 12.277 185 HA GLU 24 HA GLU 24 2.775 -9.661 14.207 186 1HB GLU 24 2HB GLU 24 1.607 -8.312 11.791 187 2HB GLU 24 1HB GLU 24 2.750 -7.494 12.847 188 1HG GLU 24 2HG GLU 24 3.232 -10.017 11.281 189 2HG GLU 24 1HG GLU 24 3.903 -8.420 10.952 190 H GLY 25 H GLY 25 -0.556 -8.783 13.527 191 1HA GLY 25 2HA GLY 25 -2.039 -8.010 15.203 192 2HA GLY 25 1HA GLY 25 -0.657 -7.418 16.109 193 H TYR 26 H TYR 26 -1.555 -6.878 12.722 194 HA TYR 26 HA TYR 26 -1.423 -3.988 13.231 195 1HB TYR 26 2HB TYR 26 -1.073 -5.662 10.759 196 2HB TYR 26 1HB TYR 26 -1.399 -3.941 10.641 197 HD1 TYR 26 1HD TYR 26 0.257 -2.306 11.365 198 HD2 TYR 26 2HD TYR 26 1.064 -6.476 11.545 199 HE1 TYR 26 1HE TYR 26 2.652 -1.824 11.623 200 HE2 TYR 26 2HE TYR 26 3.463 -6.008 11.803 201 HH TYR 26 HH TYR 26 4.817 -2.972 11.220 202 H HIS 27 H HIS 27 -2.815 -2.878 11.316 203 HA HIS 27 HA HIS 27 -5.534 -3.991 11.454 204 1HB HIS 27 2HB HIS 27 -4.673 -1.651 12.722 205 2HB HIS 27 1HB HIS 27 -5.493 -1.085 11.271 206 HD1 HIS 27 1HD HIS 27 -6.233 -3.596 14.044 207 HD2 HIS 27 2HD HIS 27 -8.132 -0.739 11.700 208 HE1 HIS 27 1HE HIS 27 -8.619 -3.550 14.840 209 HE2 HIS 27 2HE HIS 27 -9.763 -1.856 13.367 210 HA PRO 28 HA PRO 28 -4.390 -3.180 7.092 211 1HB PRO 28 2HB PRO 28 -5.038 -5.581 6.097 212 2HB PRO 28 1HB PRO 28 -3.514 -5.304 6.948 213 1HG PRO 28 2HG PRO 28 -6.016 -6.609 7.914 214 2HG PRO 28 1HG PRO 28 -4.329 -7.031 8.248 215 1HD PRO 28 2HD PRO 28 -5.993 -5.588 9.942 216 2HD PRO 28 1HD PRO 28 -4.222 -5.607 10.023 217 H ASP 29 H ASP 29 -5.668 -2.481 5.491 218 HA ASP 29 HA ASP 29 -8.504 -3.225 5.476 219 1HB ASP 29 2HB ASP 29 -8.043 -0.975 6.643 220 2HB ASP 29 1HB ASP 29 -7.654 -0.376 5.035 221 H THR 30 H THR 30 -7.268 -4.549 3.797 222 HA THR 30 HA THR 30 -6.193 -3.455 1.490 223 HB THR 30 HB THR 30 -6.394 -5.599 0.508 224 HG1 THR 30 1HG THR 30 -8.624 -5.871 2.200 225 1HG2 THR 30 1HG2 THR 30 -5.351 -6.932 2.004 226 2HG2 THR 30 2HG2 THR 30 -6.487 -6.560 3.301 227 3HG2 THR 30 3HG2 THR 30 -5.222 -5.407 2.878 228 H ALA 31 H ALA 31 -6.965 -2.603 -0.325 229 HA ALA 31 HA ALA 31 -9.876 -2.288 -0.561 230 1HB ALA 31 1HB ALA 31 -8.352 -0.262 -0.453 231 2HB ALA 31 2HB ALA 31 -9.485 -0.317 -1.803 232 3HB ALA 31 3HB ALA 31 -7.789 -0.722 -2.059 233 H LYS 32 H LYS 32 -9.859 -1.571 -3.327 234 HA LYS 32 HA LYS 32 -9.164 -4.159 -4.549 235 1HB LYS 32 2HB LYS 32 -11.411 -2.522 -5.639 236 2HB LYS 32 1HB LYS 32 -11.174 -4.264 -5.680 237 1HG LYS 32 2HG LYS 32 -11.855 -4.494 -3.418 238 2HG LYS 32 1HG LYS 32 -11.821 -2.749 -3.166 239 1HD LYS 32 2HD LYS 32 -13.822 -2.426 -4.185 240 2HD LYS 32 1HD LYS 32 -13.565 -3.735 -5.340 241 1HE LYS 32 2HE LYS 32 -13.751 -5.126 -3.024 242 2HE LYS 32 1HE LYS 32 -14.824 -3.769 -2.680 243 1HZ LYS 32 1HZ LYS 32 -15.626 -4.429 -5.129 244 2HZ LYS 32 2HZ LYS 32 -16.312 -5.071 -3.722 245 3HZ LYS 32 3HZ LYS 32 -15.141 -5.950 -4.568 246 H THR 33 H THR 33 -9.237 -0.688 -4.897 247 HA THR 33 HA THR 33 -7.204 -0.783 -6.906 248 HB THR 33 HB THR 33 -8.678 0.678 -8.486 249 HG1 THR 33 1HG THR 33 -10.671 -0.842 -7.165 250 1HG2 THR 33 1HG2 THR 33 -7.929 -1.906 -8.637 251 2HG2 THR 33 2HG2 THR 33 -8.868 -1.066 -9.874 252 3HG2 THR 33 3HG2 THR 33 -9.684 -2.068 -8.674 253 H LEU 34 H LEU 34 -6.971 1.625 -7.818 254 HA LEU 34 HA LEU 34 -6.293 3.213 -5.607 255 1HB LEU 34 2HB LEU 34 -6.726 4.142 -8.446 256 2HB LEU 34 1HB LEU 34 -5.780 4.955 -7.213 257 HG LEU 34 HG LEU 34 -5.033 2.179 -8.043 258 1HD1 LEU 34 1HD1 LEU 34 -4.164 4.670 -9.498 259 2HD1 LEU 34 2HD1 LEU 34 -5.327 3.499 -10.118 260 3HD1 LEU 34 3HD1 LEU 34 -3.658 3.013 -9.825 261 1HD2 LEU 34 1HD2 LEU 34 -4.054 3.800 -6.140 262 2HD2 LEU 34 2HD2 LEU 34 -3.061 4.308 -7.505 263 3HD2 LEU 34 3HD2 LEU 34 -3.075 2.617 -7.006 264 H ARG 35 H ARG 35 -9.102 3.259 -7.750 265 HA ARG 35 HA ARG 35 -10.272 5.631 -6.816 266 1HB ARG 35 2HB ARG 35 -10.979 3.525 -8.580 267 2HB ARG 35 1HB ARG 35 -12.306 3.702 -7.441 268 1HG ARG 35 2HG ARG 35 -11.262 6.211 -8.566 269 2HG ARG 35 1HG ARG 35 -12.056 5.127 -9.710 270 1HD ARG 35 2HD ARG 35 -13.918 6.189 -9.003 271 2HD ARG 35 1HD ARG 35 -13.816 5.029 -7.679 272 HE ARG 35 HE ARG 35 -12.362 7.456 -7.187 273 1HH1 ARG 35 1HH1 ARG 35 -15.490 5.917 -7.001 274 2HH1 ARG 35 2HH1 ARG 35 -16.067 6.960 -5.744 275 1HH2 ARG 35 1HH2 ARG 35 -13.120 8.827 -5.533 276 2HH2 ARG 35 2HH2 ARG 35 -14.721 8.611 -4.910 277 H GLU 36 H GLU 36 -10.815 2.258 -5.819 278 HA GLU 36 HA GLU 36 -12.617 2.824 -3.739 279 1HB GLU 36 2HB GLU 36 -10.925 0.507 -4.519 280 2HB GLU 36 1HB GLU 36 -11.513 0.540 -2.862 281 1HG GLU 36 2HG GLU 36 -13.425 0.991 -5.103 282 2HG GLU 36 1HG GLU 36 -12.881 -0.645 -4.734 283 H ALA 37 H ALA 37 -9.119 2.802 -3.905 284 HA ALA 37 HA ALA 37 -8.597 2.869 -1.129 285 1HB ALA 37 1HB ALA 37 -6.408 3.970 -1.928 286 2HB ALA 37 2HB ALA 37 -7.026 3.676 -3.553 287 3HB ALA 37 3HB ALA 37 -6.758 2.323 -2.454 288 H GLU 38 H GLU 38 -8.591 5.529 -3.526 289 HA GLU 38 HA GLU 38 -8.197 7.658 -1.859 290 1HB GLU 38 2HB GLU 38 -10.086 7.537 -4.216 291 2HB GLU 38 1HB GLU 38 -9.481 9.015 -3.480 292 1HG GLU 38 2HG GLU 38 -7.272 8.578 -4.193 293 2HG GLU 38 1HG GLU 38 -7.674 6.923 -4.651 294 H LYS 39 H LYS 39 -11.234 5.954 -2.470 295 HA LYS 39 HA LYS 39 -12.928 7.661 -1.019 296 1HB LYS 39 2HB LYS 39 -13.828 5.950 -2.488 297 2HB LYS 39 1HB LYS 39 -13.106 4.681 -1.509 298 1HG LYS 39 2HG LYS 39 -14.933 6.503 -0.091 299 2HG LYS 39 1HG LYS 39 -15.670 5.461 -1.311 300 1HD LYS 39 2HD LYS 39 -13.993 3.742 0.027 301 2HD LYS 39 1HD LYS 39 -14.575 4.797 1.316 302 1HE LYS 39 2HE LYS 39 -16.475 3.650 1.362 303 2HE LYS 39 1HE LYS 39 -16.804 4.164 -0.292 304 1HZ LYS 39 1HZ LYS 39 -15.455 1.688 0.611 305 2HZ LYS 39 2HZ LYS 39 -15.371 2.231 -0.989 306 3HZ LYS 39 3HZ LYS 39 -16.866 1.831 -0.309 307 H LYS 40 H LYS 40 -11.016 4.853 -0.051 308 HA LYS 40 HA LYS 40 -11.848 4.890 2.675 309 1HB LYS 40 2HB LYS 40 -9.625 3.533 1.183 310 2HB LYS 40 1HB LYS 40 -9.759 3.413 2.932 311 1HG LYS 40 2HG LYS 40 -11.476 1.976 2.830 312 2HG LYS 40 1HG LYS 40 -12.230 2.815 1.474 313 1HD LYS 40 2HD LYS 40 -11.120 1.580 -0.086 314 2HD LYS 40 1HD LYS 40 -9.702 1.359 0.941 315 1HE LYS 40 2HE LYS 40 -12.139 0.080 1.947 316 2HE LYS 40 1HE LYS 40 -11.571 -0.556 0.404 317 1HZ LYS 40 1HZ LYS 40 -10.596 -1.768 2.233 318 2HZ LYS 40 2HZ LYS 40 -9.973 -0.343 2.899 319 3HZ LYS 40 3HZ LYS 40 -9.389 -0.908 1.415 320 H ILE 41 H ILE 41 -8.987 6.050 0.945 321 HA ILE 41 HA ILE 41 -7.659 7.032 3.265 322 HB ILE 41 HB ILE 41 -7.218 7.900 0.412 323 1HG1 ILE 41 2HG1 ILE 41 -5.827 5.669 1.905 324 2HG1 ILE 41 1HG1 ILE 41 -7.129 5.409 0.749 325 1HG2 ILE 41 1HG2 ILE 41 -5.443 7.965 2.847 326 2HG2 ILE 41 2HG2 ILE 41 -6.147 9.352 2.014 327 3HG2 ILE 41 3HG2 ILE 41 -4.927 8.366 1.208 328 1HD1 ILE 41 1HD1 ILE 41 -5.616 6.721 -0.882 329 2HD1 ILE 41 2HD1 ILE 41 -5.236 5.039 -0.511 330 3HD1 ILE 41 3HD1 ILE 41 -4.336 6.340 0.269 331 H LYS 42 H LYS 42 -10.195 8.263 1.302 332 HA LYS 42 HA LYS 42 -9.836 11.008 1.498 333 1HB LYS 42 2HB LYS 42 -11.921 9.229 0.746 334 2HB LYS 42 1HB LYS 42 -12.599 10.478 1.780 335 1HG LYS 42 2HG LYS 42 -10.903 11.043 -0.637 336 2HG LYS 42 1HG LYS 42 -12.666 10.991 -0.655 337 1HD LYS 42 2HD LYS 42 -12.407 13.219 -0.296 338 2HD LYS 42 1HD LYS 42 -12.325 12.679 1.383 339 1HE LYS 42 2HE LYS 42 -10.051 12.995 1.514 340 2HE LYS 42 1HE LYS 42 -9.816 12.788 -0.221 341 1HZ LYS 42 1HZ LYS 42 -10.631 14.950 -0.634 342 2HZ LYS 42 2HZ LYS 42 -9.533 15.106 0.643 343 3HZ LYS 42 3HZ LYS 42 -11.196 15.135 0.949 344 H GLU 43 H GLU 43 -10.675 8.728 3.941 345 HA GLU 43 HA GLU 43 -11.029 10.939 5.838 346 1HB GLU 43 2HB GLU 43 -12.506 8.313 6.014 347 2HB GLU 43 1HB GLU 43 -12.737 9.737 7.019 348 1HG GLU 43 2HG GLU 43 -13.932 10.845 5.424 349 2HG GLU 43 1HG GLU 43 -13.138 10.008 4.090 350 H LEU 44 H LEU 44 -10.567 7.402 5.766 351 HA LEU 44 HA LEU 44 -9.244 7.219 8.225 352 1HB LEU 44 2HB LEU 44 -9.875 5.483 6.025 353 2HB LEU 44 1HB LEU 44 -8.226 5.190 6.545 354 HG LEU 44 HG LEU 44 -9.909 3.715 7.632 355 1HD1 LEU 44 1HD1 LEU 44 -8.068 3.696 8.941 356 2HD1 LEU 44 2HD1 LEU 44 -9.137 4.543 10.060 357 3HD1 LEU 44 3HD1 LEU 44 -8.001 5.454 9.063 358 1HD2 LEU 44 1HD2 LEU 44 -11.471 4.545 9.196 359 2HD2 LEU 44 2HD2 LEU 44 -11.658 5.538 7.750 360 3HD2 LEU 44 3HD2 LEU 44 -10.778 6.166 9.143 361 H PHE 45 H PHE 45 -7.397 8.150 8.785 362 HA PHE 45 HA PHE 45 -5.468 8.980 6.814 363 1HB PHE 45 2HB PHE 45 -6.013 10.311 8.872 364 2HB PHE 45 1HB PHE 45 -5.211 9.066 9.826 365 HD1 PHE 45 1HD PHE 45 -4.714 11.711 7.317 366 HD2 PHE 45 2HD PHE 45 -2.839 8.929 9.935 367 HE1 PHE 45 1HE PHE 45 -2.557 12.838 6.964 368 HE2 PHE 45 2HE PHE 45 -0.678 10.052 9.587 369 HZ PHE 45 HZ PHE 45 -0.534 12.009 8.099 370 H PHE 46 H PHE 46 -5.278 6.608 6.150 371 HA PHE 46 HA PHE 46 -3.985 4.704 7.712 372 1HB PHE 46 2HB PHE 46 -4.129 5.155 4.746 373 2HB PHE 46 1HB PHE 46 -3.168 3.840 5.410 374 HD1 PHE 46 1HD PHE 46 -6.426 4.927 4.442 375 HD2 PHE 46 2HD PHE 46 -4.336 2.129 6.875 376 HE1 PHE 46 1HE PHE 46 -8.438 3.513 4.537 377 HE2 PHE 46 2HE PHE 46 -6.345 0.711 6.975 378 HZ PHE 46 HZ PHE 46 -8.398 1.402 5.806 379 HA PRO 47 HA PRO 47 0.109 6.476 7.909 380 1HB PRO 47 2HB PRO 47 1.169 4.104 9.076 381 2HB PRO 47 1HB PRO 47 0.674 5.580 9.900 382 1HG PRO 47 2HG PRO 47 -0.577 3.087 10.078 383 2HG PRO 47 1HG PRO 47 -1.244 4.634 10.619 384 1HD PRO 47 2HD PRO 47 -1.842 3.066 8.178 385 2HD PRO 47 1HD PRO 47 -2.864 4.201 9.078 386 H VAL 48 H VAL 48 -0.425 3.187 6.763 387 HA VAL 48 HA VAL 48 1.783 3.546 4.852 388 HB VAL 48 HB VAL 48 0.964 0.910 6.067 389 1HG1 VAL 48 1HG1 VAL 48 2.958 1.775 4.056 390 2HG1 VAL 48 2HG1 VAL 48 2.043 0.271 4.175 391 3HG1 VAL 48 3HG1 VAL 48 3.456 0.527 5.199 392 1HG2 VAL 48 1HG2 VAL 48 1.865 1.973 7.897 393 2HG2 VAL 48 2HG2 VAL 48 2.970 2.943 6.922 394 3HG2 VAL 48 3HG2 VAL 48 3.296 1.229 7.183 395 H ILE 49 H ILE 49 1.319 3.156 2.767 396 HA ILE 49 HA ILE 49 -1.203 1.791 2.103 397 HB ILE 49 HB ILE 49 -0.313 4.047 0.369 398 1HG1 ILE 49 2HG1 ILE 49 -0.268 4.958 2.698 399 2HG1 ILE 49 1HG1 ILE 49 -1.470 5.718 1.662 400 1HG2 ILE 49 1HG2 ILE 49 -2.760 2.498 0.914 401 2HG2 ILE 49 2HG2 ILE 49 -2.143 3.160 -0.601 402 3HG2 ILE 49 3HG2 ILE 49 -2.993 4.206 0.537 403 1HD1 ILE 49 1HD1 ILE 49 -1.846 4.568 4.180 404 2HD1 ILE 49 2HD1 ILE 49 -2.646 3.503 3.026 405 3HD1 ILE 49 3HD1 ILE 49 -3.071 5.213 3.088 406 H VAL 50 H VAL 50 -0.355 -0.096 1.216 407 HA VAL 50 HA VAL 50 1.832 0.171 -0.706 408 HB VAL 50 HB VAL 50 0.634 -2.343 0.463 409 1HG1 VAL 50 1HG1 VAL 50 3.413 -2.251 -0.530 410 2HG1 VAL 50 2HG1 VAL 50 2.139 -2.166 -1.747 411 3HG1 VAL 50 3HG1 VAL 50 2.208 -3.534 -0.637 412 1HG2 VAL 50 1HG2 VAL 50 3.274 -1.680 1.426 413 2HG2 VAL 50 2HG2 VAL 50 1.811 -2.068 2.330 414 3HG2 VAL 50 3HG2 VAL 50 2.115 -0.410 1.815 415 H LEU 51 H LEU 51 1.438 0.052 -2.832 416 HA LEU 51 HA LEU 51 -1.243 -0.649 -3.728 417 1HB LEU 51 2HB LEU 51 -0.100 1.401 -4.561 418 2HB LEU 51 1HB LEU 51 1.096 0.379 -5.335 419 HG LEU 51 HG LEU 51 -0.685 -0.614 -6.737 420 1HD1 LEU 51 1HD1 LEU 51 -2.613 -0.362 -5.373 421 2HD1 LEU 51 2HD1 LEU 51 -2.868 0.618 -6.816 422 3HD1 LEU 51 3HD1 LEU 51 -2.410 1.388 -5.297 423 1HD2 LEU 51 1HD2 LEU 51 -0.087 2.305 -6.778 424 2HD2 LEU 51 2HD2 LEU 51 -1.242 1.643 -7.934 425 3HD2 LEU 51 3HD2 LEU 51 0.414 1.036 -7.894 426 H ASP 52 H ASP 52 -1.509 -2.014 -5.640 427 HA ASP 52 HA ASP 52 0.569 -3.941 -6.219 428 1HB ASP 52 2HB ASP 52 -1.096 -4.579 -4.150 429 2HB ASP 52 1HB ASP 52 -1.957 -5.283 -5.514 430 H VAL 53 H VAL 53 0.476 -3.278 -8.317 431 HA VAL 53 HA VAL 53 -1.958 -3.055 -9.788 432 HB VAL 53 HB VAL 53 0.879 -3.242 -10.813 433 1HG1 VAL 53 1HG1 VAL 53 -0.380 -3.601 -12.702 434 2HG1 VAL 53 2HG1 VAL 53 -0.276 -1.841 -12.696 435 3HG1 VAL 53 3HG1 VAL 53 -1.736 -2.640 -12.114 436 1HG2 VAL 53 1HG2 VAL 53 0.506 -1.387 -9.219 437 2HG2 VAL 53 2HG2 VAL 53 -0.782 -0.787 -10.263 438 3HG2 VAL 53 3HG2 VAL 53 0.880 -0.832 -10.851 439 H TRP 54 H TRP 54 -2.528 -5.366 -8.934 440 HA TRP 54 HA TRP 54 -1.348 -7.623 -10.144 441 1HB TRP 54 2HB TRP 54 -2.744 -7.842 -8.162 442 2HB TRP 54 1HB TRP 54 -4.143 -7.240 -9.043 443 HD1 TRP 54 HD TRP 54 -5.738 -9.208 -9.395 444 HE1 TRP 54 1HE TRP 54 -5.509 -11.663 -10.134 445 HE3 TRP 54 3HE TRP 54 -0.646 -9.471 -9.773 446 HZ2 TRP 54 2HZ TRP 54 -3.444 -13.471 -10.792 447 HZ3 TRP 54 3HZ TRP 54 0.376 -11.602 -10.463 448 HH2 TRP 54 HH TRP 54 -0.994 -13.559 -10.960 449 H MET 55 H MET 55 -4.732 -6.793 -10.803 450 HA MET 55 HA MET 55 -4.145 -6.714 -13.666 451 1HB MET 55 2HB MET 55 -6.248 -8.497 -12.427 452 2HB MET 55 1HB MET 55 -6.009 -8.249 -14.151 453 1HG MET 55 2HG MET 55 -3.877 -9.347 -12.345 454 2HG MET 55 1HG MET 55 -5.046 -10.361 -13.188 455 1HE MET 55 1HE MET 55 -4.194 -11.603 -15.218 456 2HE MET 55 2HE MET 55 -3.800 -10.678 -16.667 457 3HE MET 55 3HE MET 55 -5.317 -10.382 -15.817 458 HA PRO 56 HA PRO 56 -7.684 -3.888 -12.166 459 1HB PRO 56 2HB PRO 56 -6.449 -1.628 -11.427 460 2HB PRO 56 1HB PRO 56 -6.655 -2.972 -10.299 461 1HG PRO 56 2HG PRO 56 -4.248 -2.189 -11.887 462 2HG PRO 56 1HG PRO 56 -4.347 -2.703 -10.196 463 1HD PRO 56 2HD PRO 56 -3.618 -4.357 -12.256 464 2HD PRO 56 1HD PRO 56 -4.365 -4.917 -10.747 465 H ASP 57 H ASP 57 -7.694 -1.272 -12.852 466 HA ASP 57 HA ASP 57 -6.575 -1.114 -15.560 467 1HB ASP 57 2HB ASP 57 -9.430 -0.439 -14.825 468 2HB ASP 57 1HB ASP 57 -8.694 -0.205 -16.407 469 H GLY 58 H GLY 58 -5.866 0.118 -12.957 470 1HA GLY 58 2HA GLY 58 -6.449 2.944 -13.548 471 2HA GLY 58 1HA GLY 58 -5.958 2.322 -11.981 472 H ASP 59 H ASP 59 -3.759 1.747 -11.645 473 HA ASP 59 HA ASP 59 -1.515 2.101 -11.785 474 1HB ASP 59 2HB ASP 59 -2.021 0.731 -13.939 475 2HB ASP 59 1HB ASP 59 -1.756 2.258 -14.776 476 H GLY 60 H GLY 60 -2.719 4.330 -11.103 477 1HA GLY 60 2HA GLY 60 -2.054 6.479 -12.951 478 2HA GLY 60 1HA GLY 60 -2.883 6.647 -11.413 479 H VAL 61 H VAL 61 0.001 7.117 -13.047 480 HA VAL 61 HA VAL 61 1.915 6.753 -11.027 481 HB VAL 61 HB VAL 61 1.902 8.673 -13.362 482 1HG1 VAL 61 1HG1 VAL 61 4.098 7.841 -11.486 483 2HG1 VAL 61 2HG1 VAL 61 3.521 9.471 -11.835 484 3HG1 VAL 61 3HG1 VAL 61 4.400 8.565 -13.066 485 1HG2 VAL 61 1HG2 VAL 61 3.446 6.116 -13.223 486 2HG2 VAL 61 2HG2 VAL 61 2.914 7.027 -14.635 487 3HG2 VAL 61 3HG2 VAL 61 1.745 6.101 -13.692 488 H ASN 62 H ASN 62 -0.220 9.434 -11.827 489 HA ASN 62 HA ASN 62 0.997 11.286 -10.025 490 1HB ASN 62 2HB ASN 62 -0.971 11.383 -12.050 491 2HB ASN 62 1HB ASN 62 -1.746 11.950 -10.574 492 1HD2 ASN 62 1HD2 ASN 62 0.575 12.608 -13.015 493 2HD2 ASN 62 2HD2 ASN 62 0.994 14.202 -12.495 494 H PHE 63 H PHE 63 -0.859 8.567 -9.452 495 HA PHE 63 HA PHE 63 -2.610 9.419 -7.431 496 1HB PHE 63 2HB PHE 63 -2.807 7.213 -8.470 497 2HB PHE 63 1HB PHE 63 -1.264 6.730 -7.773 498 HD1 PHE 63 1HD PHE 63 -4.442 8.264 -6.559 499 HD2 PHE 63 2HD PHE 63 -1.417 5.331 -5.964 500 HE1 PHE 63 1HE PHE 63 -5.603 7.486 -4.536 501 HE2 PHE 63 2HE PHE 63 -2.574 4.547 -3.938 502 HZ PHE 63 HZ PHE 63 -4.669 5.627 -3.222 503 H ILE 64 H ILE 64 0.784 8.454 -7.330 504 HA ILE 64 HA ILE 64 1.208 8.136 -4.638 505 HB ILE 64 HB ILE 64 3.077 9.629 -6.479 506 1HG1 ILE 64 2HG1 ILE 64 3.650 6.809 -6.056 507 2HG1 ILE 64 1HG1 ILE 64 2.075 7.045 -6.808 508 1HG2 ILE 64 1HG2 ILE 64 4.698 8.259 -4.886 509 2HG2 ILE 64 2HG2 ILE 64 3.330 8.420 -3.784 510 3HG2 ILE 64 3HG2 ILE 64 4.093 9.860 -4.460 511 1HD1 ILE 64 1HD1 ILE 64 4.758 7.441 -7.891 512 2HD1 ILE 64 2HD1 ILE 64 3.619 8.732 -8.264 513 3HD1 ILE 64 3HD1 ILE 64 3.242 7.069 -8.710 514 H ASP 65 H ASP 65 0.606 11.096 -6.384 515 HA ASP 65 HA ASP 65 1.414 12.844 -4.268 516 1HB ASP 65 2HB ASP 65 0.855 13.181 -6.940 517 2HB ASP 65 1HB ASP 65 -0.553 13.908 -6.171 518 H PHE 66 H PHE 66 -1.579 11.301 -5.248 519 HA PHE 66 HA PHE 66 -3.363 12.795 -3.675 520 1HB PHE 66 2HB PHE 66 -4.215 11.324 -5.384 521 2HB PHE 66 1HB PHE 66 -3.464 9.924 -4.629 522 HD1 PHE 66 1HD PHE 66 -4.360 9.058 -2.483 523 HD2 PHE 66 2HD PHE 66 -6.332 12.112 -4.694 524 HE1 PHE 66 1HE PHE 66 -6.430 8.630 -1.223 525 HE2 PHE 66 2HE PHE 66 -8.405 11.690 -3.438 526 HZ PHE 66 HZ PHE 66 -8.455 9.946 -1.700 527 H ILE 67 H ILE 67 -1.493 9.867 -2.979 528 HA ILE 67 HA ILE 67 -2.500 9.391 -0.401 529 HB ILE 67 HB ILE 67 0.223 8.737 -1.543 530 1HG1 ILE 67 2HG1 ILE 67 -1.012 6.386 -1.456 531 2HG1 ILE 67 1HG1 ILE 67 -2.447 7.400 -1.561 532 1HG2 ILE 67 1HG2 ILE 67 0.715 8.371 0.633 533 2HG2 ILE 67 2HG2 ILE 67 -0.164 6.869 0.350 534 3HG2 ILE 67 3HG2 ILE 67 -0.978 8.239 1.106 535 1HD1 ILE 67 1HD1 ILE 67 -0.471 8.188 -3.505 536 2HD1 ILE 67 2HD1 ILE 67 -2.153 7.706 -3.733 537 3HD1 ILE 67 3HD1 ILE 67 -0.886 6.481 -3.658 538 H LYS 68 H LYS 68 0.191 11.384 -1.546 539 HA LYS 68 HA LYS 68 0.962 12.174 1.116 540 1HB LYS 68 2HB LYS 68 1.765 13.417 -1.520 541 2HB LYS 68 1HB LYS 68 2.579 13.607 0.027 542 1HG LYS 68 2HG LYS 68 2.451 10.841 -0.477 543 2HG LYS 68 1HG LYS 68 2.957 11.612 -1.981 544 1HD LYS 68 2HD LYS 68 5.011 11.523 -1.067 545 2HD LYS 68 1HD LYS 68 4.479 12.945 -0.169 546 1HE LYS 68 2HE LYS 68 4.337 11.821 1.780 547 2HE LYS 68 1HE LYS 68 3.723 10.359 1.009 548 1HZ LYS 68 1HZ LYS 68 6.158 10.552 2.045 549 2HZ LYS 68 2HZ LYS 68 6.497 11.022 0.456 550 3HZ LYS 68 3HZ LYS 68 5.782 9.519 0.760 551 H GLU 69 H GLU 69 -1.303 13.218 -1.246 552 HA GLU 69 HA GLU 69 -1.502 15.946 -0.517 553 1HB GLU 69 2HB GLU 69 -2.372 14.856 -2.634 554 2HB GLU 69 1HB GLU 69 -3.710 14.252 -1.667 555 1HG GLU 69 2HG GLU 69 -4.009 16.750 -1.014 556 2HG GLU 69 1HG GLU 69 -3.067 17.049 -2.473 557 H ASN 70 H ASN 70 -3.064 13.007 0.619 558 HA ASN 70 HA ASN 70 -4.340 14.586 2.756 559 1HB ASN 70 2HB ASN 70 -5.401 11.918 1.884 560 2HB ASN 70 1HB ASN 70 -6.239 13.231 2.705 561 1HD2 ASN 70 1HD2 ASN 70 -4.652 12.425 -0.350 562 2HD2 ASN 70 2HD2 ASN 70 -5.708 13.359 -1.348 563 H SER 71 H SER 71 -1.753 12.784 2.321 564 HA SER 71 HA SER 71 -1.662 11.919 5.052 565 1HB SER 71 2HB SER 71 -2.323 10.007 2.945 566 2HB SER 71 1HB SER 71 -0.890 9.536 3.857 567 HG SER 71 HG SER 71 -2.064 9.375 5.659 568 HA PRO 72 HA PRO 72 2.359 13.086 2.983 569 1HB PRO 72 2HB PRO 72 2.594 15.045 5.135 570 2HB PRO 72 1HB PRO 72 2.644 15.300 3.389 571 1HG PRO 72 2HG PRO 72 0.578 16.132 4.930 572 2HG PRO 72 1HG PRO 72 0.377 15.633 3.240 573 1HD PRO 72 2HD PRO 72 -0.201 14.108 5.751 574 2HD PRO 72 1HD PRO 72 -1.139 14.196 4.244 575 H ASP 73 H ASP 73 1.302 12.280 6.127 576 HA ASP 73 HA ASP 73 4.018 11.597 6.996 577 1HB ASP 73 2HB ASP 73 2.598 12.971 8.517 578 2HB ASP 73 1HB ASP 73 1.476 11.619 8.629 579 H SER 74 H SER 74 2.538 10.076 4.996 580 HA SER 74 HA SER 74 2.262 7.517 6.433 581 1HB SER 74 2HB SER 74 0.124 8.088 5.523 582 2HB SER 74 1HB SER 74 0.832 8.536 3.972 583 HG SER 74 HG SER 74 -0.027 6.136 4.796 584 H VAL 75 H VAL 75 2.473 5.655 4.633 585 HA VAL 75 HA VAL 75 4.961 6.205 3.148 586 HB VAL 75 HB VAL 75 4.207 3.602 4.500 587 1HG1 VAL 75 1HG1 VAL 75 6.449 4.436 2.702 588 2HG1 VAL 75 2HG1 VAL 75 5.514 2.939 2.714 589 3HG1 VAL 75 3HG1 VAL 75 6.742 3.222 3.948 590 1HG2 VAL 75 1HG2 VAL 75 5.026 5.753 5.833 591 2HG2 VAL 75 2HG2 VAL 75 6.599 5.168 5.294 592 3HG2 VAL 75 3HG2 VAL 75 5.553 4.125 6.259 593 H VAL 76 H VAL 76 5.148 5.340 1.089 594 HA VAL 76 HA VAL 76 2.748 3.970 0.061 595 HB VAL 76 HB VAL 76 4.446 5.718 -1.687 596 1HG1 VAL 76 1HG1 VAL 76 3.045 4.653 -3.103 597 2HG1 VAL 76 2HG1 VAL 76 1.933 5.928 -2.604 598 3HG1 VAL 76 3HG1 VAL 76 1.845 4.334 -1.851 599 1HG2 VAL 76 1HG2 VAL 76 2.077 6.649 -0.066 600 2HG2 VAL 76 2HG2 VAL 76 2.931 7.588 -1.291 601 3HG2 VAL 76 3HG2 VAL 76 3.755 7.124 0.197 602 H ILE 77 H ILE 77 3.446 1.903 -0.024 603 HA ILE 77 HA ILE 77 6.018 1.354 -1.335 604 HB ILE 77 HB ILE 77 4.314 -0.625 0.167 605 1HG1 ILE 77 2HG1 ILE 77 5.009 1.323 1.598 606 2HG1 ILE 77 1HG1 ILE 77 5.633 -0.233 2.132 607 1HG2 ILE 77 1HG2 ILE 77 5.965 -1.552 -1.389 608 2HG2 ILE 77 2HG2 ILE 77 6.362 -1.924 0.289 609 3HG2 ILE 77 3HG2 ILE 77 7.238 -0.653 -0.563 610 1HD1 ILE 77 1HD1 ILE 77 7.495 1.006 0.340 611 2HD1 ILE 77 2HD1 ILE 77 7.710 0.511 2.021 612 3HD1 ILE 77 3HD1 ILE 77 7.069 2.112 1.647 613 H VAL 78 H VAL 78 4.915 1.907 -3.395 614 HA VAL 78 HA VAL 78 2.809 0.306 -4.417 615 HB VAL 78 HB VAL 78 4.878 1.792 -6.040 616 1HG1 VAL 78 1HG1 VAL 78 1.990 1.423 -6.733 617 2HG1 VAL 78 2HG1 VAL 78 3.166 0.158 -7.084 618 3HG1 VAL 78 3HG1 VAL 78 3.356 1.761 -7.794 619 1HG2 VAL 78 1HG2 VAL 78 2.688 2.779 -4.326 620 2HG2 VAL 78 2HG2 VAL 78 2.806 3.501 -5.931 621 3HG2 VAL 78 3HG2 VAL 78 4.182 3.569 -4.831 622 H ILE 79 H ILE 79 2.886 -1.753 -4.971 623 HA ILE 79 HA ILE 79 5.393 -2.841 -6.077 624 HB ILE 79 HB ILE 79 3.465 -4.468 -4.430 625 1HG1 ILE 79 2HG1 ILE 79 6.038 -3.205 -3.472 626 2HG1 ILE 79 1HG1 ILE 79 4.429 -2.610 -3.079 627 1HG2 ILE 79 1HG2 ILE 79 5.895 -5.637 -4.207 628 2HG2 ILE 79 2HG2 ILE 79 6.000 -4.951 -5.829 629 3HG2 ILE 79 3HG2 ILE 79 4.694 -6.065 -5.425 630 1HD1 ILE 79 1HD1 ILE 79 3.920 -4.613 -1.872 631 2HD1 ILE 79 2HD1 ILE 79 5.461 -3.975 -1.295 632 3HD1 ILE 79 3HD1 ILE 79 5.434 -5.357 -2.390 633 H THR 80 H THR 80 5.094 -4.676 -7.539 634 HA THR 80 HA THR 80 2.437 -5.214 -8.530 635 HB THR 80 HB THR 80 2.757 -4.404 -10.766 636 HG1 THR 80 1HG THR 80 4.647 -3.567 -11.479 637 1HG2 THR 80 1HG2 THR 80 2.014 -2.700 -9.155 638 2HG2 THR 80 2HG2 THR 80 2.924 -2.025 -10.505 639 3HG2 THR 80 3HG2 THR 80 3.693 -2.214 -8.929 640 H GLY 81 H GLY 81 4.744 -6.664 -7.398 641 1HA GLY 81 2HA GLY 81 5.882 -8.630 -7.724 642 2HA GLY 81 1HA GLY 81 4.614 -9.005 -8.881 643 H HIS 82 H HIS 82 5.448 -9.640 -10.743 644 HA HIS 82 HA HIS 82 7.984 -8.463 -11.640 645 1HB HIS 82 2HB HIS 82 6.931 -11.127 -11.664 646 2HB HIS 82 1HB HIS 82 7.219 -10.617 -13.325 647 HD1 HIS 82 1HD HIS 82 9.423 -11.443 -14.048 648 HD2 HIS 82 2HD HIS 82 9.471 -10.213 -10.079 649 HE1 HIS 82 1HE HIS 82 11.796 -11.757 -13.275 650 HE2 HIS 82 2HE HIS 82 11.785 -11.076 -10.849 651 H GLY 83 H GLY 83 8.145 -7.339 -13.511 652 1HA GLY 83 2HA GLY 83 7.307 -6.987 -15.800 653 2HA GLY 83 1HA GLY 83 5.685 -7.081 -15.129 654 H SER 84 H SER 84 7.024 -4.947 -16.683 655 HA SER 84 HA SER 84 7.104 -2.674 -16.743 656 1HB SER 84 2HB SER 84 5.151 -3.197 -14.533 657 2HB SER 84 1HB SER 84 5.693 -1.546 -14.827 658 HG SER 84 HG SER 84 4.686 -3.206 -16.884 659 H VAL 85 H VAL 85 9.349 -2.645 -16.311 660 HA VAL 85 HA VAL 85 10.270 -2.377 -13.581 661 HB VAL 85 HB VAL 85 11.866 -1.985 -16.112 662 1HG1 VAL 85 1HG1 VAL 85 13.715 -1.883 -14.828 663 2HG1 VAL 85 2HG1 VAL 85 13.100 -3.058 -13.665 664 3HG1 VAL 85 3HG1 VAL 85 12.577 -1.376 -13.579 665 1HG2 VAL 85 1HG2 VAL 85 10.889 -4.168 -16.234 666 2HG2 VAL 85 2HG2 VAL 85 11.307 -4.504 -14.554 667 3HG2 VAL 85 3HG2 VAL 85 12.579 -4.349 -15.767 668 H ASP 86 H ASP 86 9.579 -0.307 -16.314 669 HA ASP 86 HA ASP 86 10.875 2.010 -15.221 670 1HB ASP 86 2HB ASP 86 8.784 1.860 -17.406 671 2HB ASP 86 1HB ASP 86 9.856 3.217 -17.073 672 H THR 87 H THR 87 7.761 0.520 -14.852 673 HA THR 87 HA THR 87 6.357 2.850 -14.004 674 HB THR 87 HB THR 87 5.473 0.454 -14.724 675 HG1 THR 87 1HG THR 87 4.193 1.886 -12.644 676 1HG2 THR 87 1HG2 THR 87 6.548 -0.572 -12.615 677 2HG2 THR 87 2HG2 THR 87 4.902 -1.035 -13.047 678 3HG2 THR 87 3HG2 THR 87 5.180 0.145 -11.765 679 H ALA 88 H ALA 88 8.338 0.422 -12.472 680 HA ALA 88 HA ALA 88 7.817 0.904 -9.791 681 1HB ALA 88 1HB ALA 88 10.468 0.205 -11.048 682 2HB ALA 88 2HB ALA 88 9.205 -0.949 -10.623 683 3HB ALA 88 3HB ALA 88 10.023 -0.032 -9.359 684 H VAL 89 H VAL 89 10.455 2.236 -11.747 685 HA VAL 89 HA VAL 89 11.316 4.123 -9.857 686 HB VAL 89 HB VAL 89 12.551 5.160 -11.684 687 1HG1 VAL 89 1HG1 VAL 89 12.510 2.229 -11.320 688 2HG1 VAL 89 2HG1 VAL 89 13.814 3.388 -11.059 689 3HG1 VAL 89 3HG1 VAL 89 13.431 2.844 -12.693 690 1HG2 VAL 89 1HG2 VAL 89 12.284 4.470 -13.988 691 2HG2 VAL 89 2HG2 VAL 89 10.749 5.079 -13.370 692 3HG2 VAL 89 3HG2 VAL 89 11.008 3.342 -13.531 693 H LYS 90 H LYS 90 8.885 4.259 -12.388 694 HA LYS 90 HA LYS 90 8.479 7.079 -12.260 695 1HB LYS 90 2HB LYS 90 7.891 5.770 -14.246 696 2HB LYS 90 1HB LYS 90 6.681 4.895 -13.321 697 1HG LYS 90 2HG LYS 90 5.305 6.793 -13.126 698 2HG LYS 90 1HG LYS 90 6.593 7.876 -13.657 699 1HD LYS 90 2HD LYS 90 6.354 6.094 -15.751 700 2HD LYS 90 1HD LYS 90 4.686 6.329 -15.225 701 1HE LYS 90 2HE LYS 90 5.981 8.864 -15.263 702 2HE LYS 90 1HE LYS 90 6.308 8.051 -16.793 703 1HZ LYS 90 1HZ LYS 90 4.323 8.944 -17.320 704 2HZ LYS 90 2HZ LYS 90 3.794 9.038 -15.716 705 3HZ LYS 90 3HZ LYS 90 3.716 7.567 -16.547 706 H ALA 91 H ALA 91 7.647 4.589 -10.142 707 HA ALA 91 HA ALA 91 5.343 6.086 -9.105 708 1HB ALA 91 1HB ALA 91 4.616 4.087 -8.039 709 2HB ALA 91 2HB ALA 91 6.143 3.274 -8.389 710 3HB ALA 91 3HB ALA 91 5.036 3.677 -9.703 711 H ILE 92 H ILE 92 8.556 4.980 -8.323 712 HA ILE 92 HA ILE 92 8.267 5.681 -5.522 713 HB ILE 92 HB ILE 92 10.502 4.880 -5.204 714 1HG1 ILE 92 2HG1 ILE 92 10.651 4.793 -8.223 715 2HG1 ILE 92 1HG1 ILE 92 11.620 5.791 -7.144 716 1HG2 ILE 92 1HG2 ILE 92 10.281 2.574 -6.145 717 2HG2 ILE 92 2HG2 ILE 92 8.886 3.145 -7.060 718 3HG2 ILE 92 3HG2 ILE 92 8.850 3.163 -5.297 719 1HD1 ILE 92 1HD1 ILE 92 12.272 3.389 -6.189 720 2HD1 ILE 92 2HD1 ILE 92 13.127 4.155 -7.526 721 3HD1 ILE 92 3HD1 ILE 92 11.894 2.938 -7.851 722 H LYS 93 H LYS 93 9.792 6.980 -8.420 723 HA LYS 93 HA LYS 93 11.353 8.960 -7.186 724 1HB LYS 93 2HB LYS 93 10.398 8.381 -9.896 725 2HB LYS 93 1HB LYS 93 10.631 10.093 -9.586 726 1HG LYS 93 2HG LYS 93 12.800 9.848 -9.925 727 2HG LYS 93 1HG LYS 93 12.884 8.754 -8.542 728 1HD LYS 93 2HD LYS 93 11.825 7.520 -10.979 729 2HD LYS 93 1HD LYS 93 13.490 8.087 -11.125 730 1HE LYS 93 2HE LYS 93 13.303 6.813 -8.625 731 2HE LYS 93 1HE LYS 93 12.469 5.769 -9.776 732 1HZ LYS 93 1HZ LYS 93 14.929 5.391 -9.499 733 2HZ LYS 93 2HZ LYS 93 15.170 6.862 -10.299 734 3HZ LYS 93 3HZ LYS 93 14.390 5.589 -11.090 735 H LYS 94 H LYS 94 7.956 8.820 -7.976 736 HA LYS 94 HA LYS 94 7.323 11.541 -7.797 737 1HB LYS 94 2HB LYS 94 5.734 9.043 -7.300 738 2HB LYS 94 1HB LYS 94 5.025 10.638 -7.092 739 1HG LYS 94 2HG LYS 94 6.347 10.543 -9.614 740 2HG LYS 94 1HG LYS 94 5.291 9.139 -9.464 741 1HD LYS 94 2HD LYS 94 4.031 10.929 -10.444 742 2HD LYS 94 1HD LYS 94 3.448 10.677 -8.799 743 1HE LYS 94 2HE LYS 94 3.623 13.007 -9.035 744 2HE LYS 94 1HE LYS 94 5.048 12.530 -8.113 745 1HZ LYS 94 1HZ LYS 94 6.071 13.800 -9.648 746 2HZ LYS 94 2HZ LYS 94 4.856 13.605 -10.808 747 3HZ LYS 94 3HZ LYS 94 6.007 12.388 -10.581 748 H GLY 95 H GLY 95 6.721 9.070 -5.289 749 1HA GLY 95 2HA GLY 95 7.896 10.600 -3.208 750 2HA GLY 95 1HA GLY 95 6.156 10.839 -3.220 751 H ALA 96 H ALA 96 7.508 7.776 -4.206 752 HA ALA 96 HA ALA 96 6.192 6.515 -1.939 753 1HB ALA 96 1HB ALA 96 5.855 4.776 -3.294 754 2HB ALA 96 2HB ALA 96 7.553 4.715 -3.770 755 3HB ALA 96 3HB ALA 96 6.444 5.810 -4.594 756 H TYR 97 H TYR 97 7.676 4.221 -1.625 757 HA TYR 97 HA TYR 97 10.143 5.282 -0.441 758 1HB TYR 97 2HB TYR 97 8.693 4.459 1.270 759 2HB TYR 97 1HB TYR 97 8.382 2.973 0.383 760 HD1 TYR 97 1HD TYR 97 11.206 4.869 1.928 761 HD2 TYR 97 2HD TYR 97 9.560 1.066 0.970 762 HE1 TYR 97 1HE TYR 97 13.037 3.776 3.150 763 HE2 TYR 97 2HE TYR 97 11.384 -0.040 2.191 764 HH TYR 97 HH TYR 97 12.987 0.709 4.181 765 H GLU 98 H GLU 98 8.916 3.171 -2.781 766 HA GLU 98 HA GLU 98 11.011 2.615 -4.291 767 1HB GLU 98 2HB GLU 98 12.036 0.487 -3.499 768 2HB GLU 98 1HB GLU 98 12.397 1.853 -2.458 769 1HG GLU 98 2HG GLU 98 10.541 1.085 -0.961 770 2HG GLU 98 1HG GLU 98 10.427 -0.363 -1.959 771 H PHE 99 H PHE 99 11.021 0.044 -5.033 772 HA PHE 99 HA PHE 99 8.178 -0.680 -5.322 773 1HB PHE 99 2HB PHE 99 9.873 0.184 -7.344 774 2HB PHE 99 1HB PHE 99 9.891 -1.568 -7.511 775 HD1 PHE 99 1HD PHE 99 8.392 -2.423 -9.002 776 HD2 PHE 99 2HD PHE 99 7.358 1.107 -6.861 777 HE1 PHE 99 1HE PHE 99 6.251 -2.324 -10.213 778 HE2 PHE 99 2HE PHE 99 5.217 1.212 -8.070 779 HZ PHE 99 HZ PHE 99 4.659 -0.505 -9.743 780 H LEU 100 H LEU 100 8.263 -2.230 -3.683 781 HA LEU 100 HA LEU 100 10.192 -4.122 -3.199 782 1HB LEU 100 2HB LEU 100 8.040 -3.603 -1.921 783 2HB LEU 100 1HB LEU 100 7.253 -4.720 -3.018 784 HG LEU 100 HG LEU 100 8.462 -6.570 -2.175 785 1HD1 LEU 100 1HD1 LEU 100 10.239 -6.287 -0.446 786 2HD1 LEU 100 2HD1 LEU 100 10.208 -4.555 -0.775 787 3HD1 LEU 100 3HD1 LEU 100 10.676 -5.686 -2.045 788 1HD2 LEU 100 1HD2 LEU 100 8.084 -6.338 0.330 789 2HD2 LEU 100 2HD2 LEU 100 6.691 -6.066 -0.719 790 3HD2 LEU 100 3HD2 LEU 100 7.549 -4.694 -0.018 791 H GLU 101 H GLU 101 11.138 -5.369 -4.678 792 HA GLU 101 HA GLU 101 9.543 -6.572 -6.811 793 1HB GLU 101 2HB GLU 101 11.671 -7.129 -7.848 794 2HB GLU 101 1HB GLU 101 11.648 -5.428 -7.404 795 1HG GLU 101 2HG GLU 101 13.133 -5.744 -5.636 796 2HG GLU 101 1HG GLU 101 12.862 -7.486 -5.601 797 H LYS 102 H LYS 102 10.893 -8.855 -7.377 798 HA LYS 102 HA LYS 102 11.007 -11.066 -6.861 799 1HB LYS 102 2HB LYS 102 11.640 -9.997 -4.104 800 2HB LYS 102 1HB LYS 102 11.842 -11.670 -4.605 801 1HG LYS 102 2HG LYS 102 13.606 -11.148 -6.048 802 2HG LYS 102 1HG LYS 102 13.215 -9.427 -6.042 803 1HD LYS 102 2HD LYS 102 13.807 -9.378 -3.616 804 2HD LYS 102 1HD LYS 102 14.363 -11.046 -3.772 805 1HE LYS 102 2HE LYS 102 15.870 -10.204 -5.640 806 2HE LYS 102 1HE LYS 102 15.474 -8.578 -5.082 807 1HZ LYS 102 1HZ LYS 102 16.657 -10.689 -3.362 808 2HZ LYS 102 2HZ LYS 102 16.414 -9.066 -2.954 809 3HZ LYS 102 3HZ LYS 102 17.552 -9.479 -4.135 810 HA PRO 103 HA PRO 103 6.668 -10.988 -5.252 811 1HB PRO 103 2HB PRO 103 5.643 -12.547 -7.219 812 2HB PRO 103 1HB PRO 103 5.837 -10.799 -7.389 813 1HG PRO 103 2HG PRO 103 7.594 -13.003 -8.397 814 2HG PRO 103 1HG PRO 103 7.065 -11.527 -9.226 815 1HD PRO 103 2HD PRO 103 9.514 -11.765 -8.099 816 2HD PRO 103 1HD PRO 103 8.645 -10.220 -8.173 817 H PHE 104 H PHE 104 5.163 -13.058 -5.101 818 HA PHE 104 HA PHE 104 4.816 -15.071 -4.102 819 1HB PHE 104 2HB PHE 104 7.118 -15.546 -5.907 820 2HB PHE 104 1HB PHE 104 6.850 -16.757 -4.658 821 HD1 PHE 104 1HD PHE 104 5.661 -15.343 -7.770 822 HD2 PHE 104 2HD PHE 104 4.728 -18.010 -4.588 823 HE1 PHE 104 1HE PHE 104 3.905 -16.372 -9.152 824 HE2 PHE 104 2HE PHE 104 2.971 -19.043 -5.964 825 HZ PHE 104 HZ PHE 104 2.557 -18.226 -8.250 826 H SER 105 H SER 105 6.258 -12.987 -2.676 827 HA SER 105 HA SER 105 7.162 -14.573 -0.460 828 1HB SER 105 2HB SER 105 9.157 -12.708 -1.766 829 2HB SER 105 1HB SER 105 9.416 -13.672 -0.313 830 HG SER 105 HG SER 105 10.071 -15.164 -1.626 831 H VAL 106 H VAL 106 5.241 -13.381 0.263 832 HA VAL 106 HA VAL 106 5.393 -10.534 0.581 833 HB VAL 106 HB VAL 106 3.229 -11.661 0.338 834 1HG1 VAL 106 1HG1 VAL 106 4.085 -13.030 2.853 835 2HG1 VAL 106 2HG1 VAL 106 3.387 -13.716 1.386 836 3HG1 VAL 106 3HG1 VAL 106 2.373 -12.800 2.502 837 1HG2 VAL 106 1HG2 VAL 106 2.518 -10.705 2.872 838 2HG2 VAL 106 2HG2 VAL 106 2.487 -9.825 1.346 839 3HG2 VAL 106 3HG2 VAL 106 3.915 -9.753 2.376 840 H GLU 107 H GLU 107 6.250 -13.322 2.499 841 HA GLU 107 HA GLU 107 6.284 -12.335 5.060 842 1HB GLU 107 2HB GLU 107 6.993 -14.645 4.137 843 2HB GLU 107 1HB GLU 107 8.597 -13.935 4.020 844 1HG GLU 107 2HG GLU 107 7.871 -13.272 6.561 845 2HG GLU 107 1HG GLU 107 7.108 -14.847 6.357 846 H ARG 108 H ARG 108 8.567 -11.723 2.451 847 HA ARG 108 HA ARG 108 10.487 -10.333 4.018 848 1HB ARG 108 2HB ARG 108 10.798 -11.328 1.679 849 2HB ARG 108 1HB ARG 108 9.981 -9.892 1.076 850 1HG ARG 108 2HG ARG 108 12.209 -9.334 0.870 851 2HG ARG 108 1HG ARG 108 11.774 -8.597 2.414 852 1HD ARG 108 2HD ARG 108 12.924 -10.183 3.644 853 2HD ARG 108 1HD ARG 108 12.864 -11.378 2.349 854 HE ARG 108 HE ARG 108 14.837 -10.547 1.571 855 1HH1 ARG 108 1HH1 ARG 108 13.341 -8.110 3.574 856 2HH1 ARG 108 2HH1 ARG 108 14.689 -7.028 3.480 857 1HH2 ARG 108 1HH2 ARG 108 16.610 -9.123 1.448 858 2HH2 ARG 108 2HH2 ARG 108 16.545 -7.602 2.273 859 H PHE 109 H PHE 109 7.660 -9.374 2.152 860 HA PHE 109 HA PHE 109 7.940 -6.599 2.284 861 1HB PHE 109 2HB PHE 109 6.277 -7.358 0.824 862 2HB PHE 109 1HB PHE 109 5.596 -8.457 2.013 863 HD1 PHE 109 1HD PHE 109 5.420 -5.201 0.536 864 HD2 PHE 109 2HD PHE 109 4.281 -7.494 3.934 865 HE1 PHE 109 1HE PHE 109 3.686 -3.543 1.068 866 HE2 PHE 109 2HE PHE 109 2.542 -5.838 4.474 867 HZ PHE 109 HZ PHE 109 2.243 -3.858 3.038 868 H LEU 110 H LEU 110 6.998 -8.929 4.663 869 HA LEU 110 HA LEU 110 5.606 -7.362 6.495 870 1HB LEU 110 2HB LEU 110 6.351 -9.928 6.386 871 2HB LEU 110 1HB LEU 110 7.508 -9.341 7.562 872 HG LEU 110 HG LEU 110 4.538 -8.932 7.847 873 1HD1 LEU 110 1HD1 LEU 110 4.671 -10.791 9.499 874 2HD1 LEU 110 2HD1 LEU 110 6.285 -11.152 8.884 875 3HD1 LEU 110 3HD1 LEU 110 4.885 -11.293 7.820 876 1HD2 LEU 110 1HD2 LEU 110 6.911 -8.146 9.349 877 2HD2 LEU 110 2HD2 LEU 110 5.711 -8.985 10.333 878 3HD2 LEU 110 3HD2 LEU 110 5.258 -7.535 9.436 879 H LEU 111 H LEU 111 9.078 -8.011 6.259 880 HA LEU 111 HA LEU 111 9.977 -6.636 8.474 881 1HB LEU 111 2HB LEU 111 11.212 -7.135 5.793 882 2HB LEU 111 1HB LEU 111 12.067 -6.234 7.031 883 HG LEU 111 HG LEU 111 11.771 -8.229 8.547 884 1HD1 LEU 111 1HD1 LEU 111 10.616 -9.316 6.021 885 2HD1 LEU 111 2HD1 LEU 111 10.068 -9.514 7.686 886 3HD1 LEU 111 3HD1 LEU 111 11.491 -10.387 7.115 887 1HD2 LEU 111 1HD2 LEU 111 13.921 -8.056 7.772 888 2HD2 LEU 111 2HD2 LEU 111 13.438 -8.178 6.080 889 3HD2 LEU 111 3HD2 LEU 111 13.462 -9.619 7.097 890 H THR 112 H THR 112 9.657 -5.352 5.162 891 HA THR 112 HA THR 112 10.483 -2.765 5.622 892 HB THR 112 HB THR 112 8.271 -3.668 3.769 893 HG1 THR 112 1HG THR 112 9.825 -4.156 2.368 894 1HG2 THR 112 1HG2 THR 112 8.845 -1.768 2.390 895 2HG2 THR 112 2HG2 THR 112 10.050 -1.249 3.568 896 3HG2 THR 112 3HG2 THR 112 8.338 -1.232 3.991 897 H ILE 113 H ILE 113 7.094 -3.870 5.625 898 HA ILE 113 HA ILE 113 5.674 -1.727 6.254 899 HB ILE 113 HB ILE 113 5.469 -4.487 7.399 900 1HG1 ILE 113 2HG1 ILE 113 4.839 -4.030 5.047 901 2HG1 ILE 113 1HG1 ILE 113 3.476 -4.590 6.014 902 1HG2 ILE 113 1HG2 ILE 113 3.957 -2.080 8.285 903 2HG2 ILE 113 2HG2 ILE 113 4.513 -3.471 9.218 904 3HG2 ILE 113 3HG2 ILE 113 3.109 -3.622 8.159 905 1HD1 ILE 113 1HD1 ILE 113 4.041 -1.819 5.019 906 2HD1 ILE 113 2HD1 ILE 113 2.868 -2.146 6.297 907 3HD1 ILE 113 3HD1 ILE 113 2.645 -2.846 4.693 908 H LYS 114 H LYS 114 7.100 -3.616 8.943 909 HA LYS 114 HA LYS 114 6.571 -1.821 10.970 910 1HB LYS 114 2HB LYS 114 7.865 -4.175 10.863 911 2HB LYS 114 1HB LYS 114 9.238 -3.093 11.050 912 1HG LYS 114 2HG LYS 114 6.857 -3.172 12.888 913 2HG LYS 114 1HG LYS 114 8.392 -3.990 13.187 914 1HD LYS 114 2HD LYS 114 9.174 -2.126 14.111 915 2HD LYS 114 1HD LYS 114 9.005 -1.307 12.558 916 1HE LYS 114 2HE LYS 114 7.574 0.037 13.634 917 2HE LYS 114 1HE LYS 114 6.436 -1.302 13.492 918 1HZ LYS 114 1HZ LYS 114 6.331 -1.159 15.704 919 2HZ LYS 114 2HZ LYS 114 7.752 -0.250 15.825 920 3HZ LYS 114 3HZ LYS 114 7.832 -1.937 15.715 921 H HIS 115 H HIS 115 9.594 -2.096 9.166 922 HA HIS 115 HA HIS 115 10.867 0.185 10.059 923 1HB HIS 115 2HB HIS 115 10.974 -1.167 7.369 924 2HB HIS 115 1HB HIS 115 12.029 0.173 7.805 925 HD1 HIS 115 1HD HIS 115 11.219 -3.355 8.937 926 HD2 HIS 115 2HD HIS 115 14.278 -0.552 9.165 927 HE1 HIS 115 1HE HIS 115 13.153 -4.557 10.002 928 HE2 HIS 115 2HE HIS 115 15.023 -2.868 10.040 929 H ALA 116 H ALA 116 8.210 -0.104 7.810 930 HA ALA 116 HA ALA 116 8.462 2.494 6.658 931 1HB ALA 116 1HB ALA 116 5.894 0.950 6.849 932 2HB ALA 116 2HB ALA 116 7.182 0.480 5.739 933 3HB ALA 116 3HB ALA 116 6.424 2.065 5.589 934 H PHE 117 H PHE 117 6.793 1.180 9.458 935 HA PHE 117 HA PHE 117 5.245 3.507 10.008 936 1HB PHE 117 2HB PHE 117 5.943 1.020 11.525 937 2HB PHE 117 1HB PHE 117 5.186 2.366 12.367 938 HD1 PHE 117 1HD PHE 117 2.891 2.962 11.949 939 HD2 PHE 117 2HD PHE 117 4.742 -0.222 9.817 940 HE1 PHE 117 1HE PHE 117 0.683 2.194 11.183 941 HE2 PHE 117 2HE PHE 117 2.538 -0.993 9.049 942 HZ PHE 117 HZ PHE 117 0.508 0.211 9.734 943 H GLU 118 H GLU 118 8.381 2.312 11.102 944 HA GLU 118 HA GLU 118 8.742 4.460 12.985 945 1HB GLU 118 2HB GLU 118 10.791 2.503 11.937 946 2HB GLU 118 1HB GLU 118 10.931 3.499 13.379 947 1HG GLU 118 2HG GLU 118 8.601 1.693 13.247 948 2HG GLU 118 1HG GLU 118 10.184 0.936 13.426 949 H GLU 119 H GLU 119 9.812 3.709 9.714 950 HA GLU 119 HA GLU 119 11.650 5.888 9.550 951 1HB GLU 119 2HB GLU 119 10.416 4.096 7.474 952 2HB GLU 119 1HB GLU 119 11.540 5.385 7.068 953 1HG GLU 119 2HG GLU 119 13.278 4.352 8.362 954 2HG GLU 119 1HG GLU 119 12.161 3.122 8.949 955 H TYR 120 H TYR 120 8.325 5.836 9.620 956 HA TYR 120 HA TYR 120 8.213 8.534 8.526 957 1HB TYR 120 2HB TYR 120 7.375 6.391 6.987 958 2HB TYR 120 1HB TYR 120 5.881 6.979 7.708 959 HD1 TYR 120 1HD TYR 120 5.867 9.741 7.711 960 HD2 TYR 120 2HD TYR 120 7.790 7.211 4.883 961 HE1 TYR 120 1HE TYR 120 5.771 11.543 6.042 962 HE2 TYR 120 2HE TYR 120 7.700 9.007 3.206 963 HH TYR 120 HH TYR 120 7.378 12.024 3.757 964 H SER 121 H SER 121 8.171 7.759 11.190 965 HA SER 121 HA SER 121 5.449 7.603 12.120 966 1HB SER 121 2HB SER 121 6.514 7.849 14.386 967 2HB SER 121 1HB SER 121 7.132 6.496 13.440 968 HG SER 121 HG SER 121 8.353 9.040 13.749 Start of MODEL 12 1 1H MET 1 1HT MET 1 -2.580 -1.380 16.323 2 2H MET 1 2HT MET 1 -3.333 0.103 15.901 3 3H MET 1 3HT MET 1 -3.169 -0.339 17.551 4 HA MET 1 HA MET 1 -1.562 1.259 17.117 5 1HB MET 1 2HB MET 1 -0.875 -1.547 17.594 6 2HB MET 1 1HB MET 1 0.485 -0.595 17.016 7 1HG MET 1 2HG MET 1 -0.453 1.069 18.893 8 2HG MET 1 1HG MET 1 -0.967 -0.473 19.577 9 1HE MET 1 1HE MET 1 2.413 1.750 20.259 10 2HE MET 1 2HE MET 1 1.836 0.778 21.613 11 3HE MET 1 3HE MET 1 0.691 1.701 20.638 12 H LYS 2 H LYS 2 -1.315 -1.397 14.770 13 HA LYS 2 HA LYS 2 -0.046 0.489 12.900 14 1HB LYS 2 2HB LYS 2 0.654 -2.280 13.629 15 2HB LYS 2 1HB LYS 2 0.734 -1.889 11.916 16 1HG LYS 2 2HG LYS 2 2.892 -1.586 12.978 17 2HG LYS 2 1HG LYS 2 2.254 -0.044 12.402 18 1HD LYS 2 2HD LYS 2 1.657 0.631 14.593 19 2HD LYS 2 1HD LYS 2 1.913 -0.992 15.238 20 1HE LYS 2 2HE LYS 2 4.355 -0.557 14.276 21 2HE LYS 2 1HE LYS 2 3.882 1.119 14.552 22 1HZ LYS 2 1HZ LYS 2 3.692 -0.993 16.624 23 2HZ LYS 2 2HZ LYS 2 3.517 0.675 16.839 24 3HZ LYS 2 3HZ LYS 2 5.030 0.028 16.454 25 H ARG 3 H ARG 3 -1.147 0.886 11.110 26 HA ARG 3 HA ARG 3 -2.987 -1.151 10.074 27 1HB ARG 3 2HB ARG 3 -3.727 1.770 10.173 28 2HB ARG 3 1HB ARG 3 -4.761 0.405 9.775 29 1HG ARG 3 2HG ARG 3 -5.444 0.867 11.907 30 2HG ARG 3 1HG ARG 3 -4.207 -0.353 12.211 31 1HD ARG 3 2HD ARG 3 -3.212 1.101 13.566 32 2HD ARG 3 1HD ARG 3 -2.838 2.079 12.147 33 HE ARG 3 HE ARG 3 -5.467 2.602 13.082 34 1HH1 ARG 3 1HH1 ARG 3 -2.109 3.250 13.778 35 2HH1 ARG 3 2HH1 ARG 3 -2.434 4.749 14.580 36 1HH2 ARG 3 1HH2 ARG 3 -5.897 4.575 14.135 37 2HH2 ARG 3 2HH2 ARG 3 -4.585 5.503 14.783 38 H VAL 4 H VAL 4 -2.621 -1.536 7.990 39 HA VAL 4 HA VAL 4 -1.389 0.596 6.363 40 HB VAL 4 HB VAL 4 -0.911 -2.364 6.014 41 1HG1 VAL 4 1HG1 VAL 4 1.084 -0.607 4.913 42 2HG1 VAL 4 2HG1 VAL 4 -0.512 -0.196 4.289 43 3HG1 VAL 4 3HG1 VAL 4 0.108 -1.836 4.110 44 1HG2 VAL 4 1HG2 VAL 4 0.941 -0.318 7.240 45 2HG2 VAL 4 2HG2 VAL 4 1.268 -2.036 7.011 46 3HG2 VAL 4 3HG2 VAL 4 0.024 -1.518 8.149 47 H LEU 5 H LEU 5 -2.129 0.853 4.278 48 HA LEU 5 HA LEU 5 -4.733 -0.306 3.715 49 1HB LEU 5 2HB LEU 5 -4.216 2.162 3.510 50 2HB LEU 5 1HB LEU 5 -3.238 1.762 2.111 51 HG LEU 5 HG LEU 5 -5.207 0.896 0.953 52 1HD1 LEU 5 1HD1 LEU 5 -7.453 1.340 1.992 53 2HD1 LEU 5 2HD1 LEU 5 -6.608 1.611 3.516 54 3HD1 LEU 5 3HD1 LEU 5 -6.522 0.037 2.728 55 1HD2 LEU 5 1HD2 LEU 5 -6.558 3.146 1.068 56 2HD2 LEU 5 2HD2 LEU 5 -4.939 3.097 0.374 57 3HD2 LEU 5 3HD2 LEU 5 -5.173 3.675 2.024 58 H VAL 6 H VAL 6 -5.132 -1.793 2.180 59 HA VAL 6 HA VAL 6 -2.878 -2.552 0.425 60 HB VAL 6 HB VAL 6 -5.031 -4.435 1.359 61 1HG1 VAL 6 1HG1 VAL 6 -3.864 -5.014 -0.723 62 2HG1 VAL 6 2HG1 VAL 6 -3.518 -6.158 0.575 63 3HG1 VAL 6 3HG1 VAL 6 -2.324 -4.937 0.134 64 1HG2 VAL 6 1HG2 VAL 6 -3.711 -5.167 3.120 65 2HG2 VAL 6 2HG2 VAL 6 -3.490 -3.420 3.180 66 3HG2 VAL 6 3HG2 VAL 6 -2.247 -4.441 2.458 67 H VAL 7 H VAL 7 -3.555 -1.274 -1.313 68 HA VAL 7 HA VAL 7 -6.216 -1.548 -2.385 69 HB VAL 7 HB VAL 7 -3.796 -0.252 -3.654 70 1HG1 VAL 7 1HG1 VAL 7 -6.720 -0.247 -4.305 71 2HG1 VAL 7 2HG1 VAL 7 -5.343 -0.541 -5.368 72 3HG1 VAL 7 3HG1 VAL 7 -5.677 1.090 -4.787 73 1HG2 VAL 7 1HG2 VAL 7 -5.786 0.742 -1.663 74 2HG2 VAL 7 2HG2 VAL 7 -5.102 1.858 -2.846 75 3HG2 VAL 7 3HG2 VAL 7 -4.041 0.994 -1.733 76 H ASP 8 H ASP 8 -6.828 -3.290 -3.484 77 HA ASP 8 HA ASP 8 -5.178 -4.300 -5.632 78 1HB ASP 8 2HB ASP 8 -4.303 -5.566 -3.728 79 2HB ASP 8 1HB ASP 8 -5.931 -6.081 -3.301 80 H ASP 9 H ASP 9 -6.325 -5.642 -7.091 81 HA ASP 9 HA ASP 9 -9.184 -5.159 -7.058 82 1HB ASP 9 2HB ASP 9 -7.685 -4.836 -9.093 83 2HB ASP 9 1HB ASP 9 -7.616 -6.590 -9.203 84 H GLU 10 H GLU 10 -8.631 -6.846 -5.035 85 HA GLU 10 HA GLU 10 -9.424 -9.502 -6.031 86 1HB GLU 10 2HB GLU 10 -7.267 -8.941 -4.488 87 2HB GLU 10 1HB GLU 10 -8.471 -9.244 -3.243 88 1HG GLU 10 2HG GLU 10 -8.227 -11.421 -3.509 89 2HG GLU 10 1HG GLU 10 -8.686 -11.286 -5.205 90 H GLU 11 H GLU 11 -10.360 -10.598 -3.684 91 HA GLU 11 HA GLU 11 -12.979 -9.459 -3.555 92 1HB GLU 11 2HB GLU 11 -12.403 -11.925 -3.388 93 2HB GLU 11 1HB GLU 11 -11.857 -11.598 -1.748 94 1HG GLU 11 2HG GLU 11 -13.933 -12.010 -1.099 95 2HG GLU 11 1HG GLU 11 -14.375 -10.469 -1.837 96 H SER 12 H SER 12 -10.291 -9.766 -1.252 97 HA SER 12 HA SER 12 -11.223 -7.385 0.123 98 1HB SER 12 2HB SER 12 -10.742 -8.869 2.329 99 2HB SER 12 1HB SER 12 -12.349 -8.668 1.630 100 HG SER 12 HG SER 12 -10.736 -10.891 1.732 101 H ILE 13 H ILE 13 -9.039 -9.969 1.196 102 HA ILE 13 HA ILE 13 -6.890 -7.998 1.393 103 HB ILE 13 HB ILE 13 -6.706 -10.849 2.315 104 1HG1 ILE 13 2HG1 ILE 13 -8.758 -9.824 3.275 105 2HG1 ILE 13 1HG1 ILE 13 -7.541 -10.186 4.496 106 1HG2 ILE 13 1HG2 ILE 13 -4.610 -9.935 2.470 107 2HG2 ILE 13 2HG2 ILE 13 -5.257 -9.557 4.067 108 3HG2 ILE 13 3HG2 ILE 13 -5.221 -8.317 2.813 109 1HD1 ILE 13 1HD1 ILE 13 -6.833 -7.755 4.273 110 2HD1 ILE 13 2HD1 ILE 13 -8.378 -8.081 5.061 111 3HD1 ILE 13 3HD1 ILE 13 -8.341 -7.520 3.389 112 H THR 14 H THR 14 -4.686 -8.680 0.790 113 HA THR 14 HA THR 14 -4.724 -9.902 -1.848 114 HB THR 14 HB THR 14 -2.419 -9.046 -2.038 115 HG1 THR 14 1HG THR 14 -1.535 -7.865 -0.356 116 1HG2 THR 14 1HG2 THR 14 -2.880 -6.601 -1.731 117 2HG2 THR 14 2HG2 THR 14 -4.449 -7.057 -1.066 118 3HG2 THR 14 3HG2 THR 14 -4.043 -7.472 -2.731 119 H SER 15 H SER 15 -2.892 -11.412 -2.413 120 HA SER 15 HA SER 15 -2.955 -13.629 -0.636 121 1HB SER 15 2HB SER 15 -2.889 -14.136 -2.947 122 2HB SER 15 1HB SER 15 -1.488 -13.097 -3.215 123 HG SER 15 HG SER 15 -0.220 -14.664 -2.604 124 H SER 16 H SER 16 -1.567 -14.309 0.855 125 HA SER 16 HA SER 16 0.328 -14.570 2.097 126 1HB SER 16 2HB SER 16 1.808 -12.642 0.324 127 2HB SER 16 1HB SER 16 2.447 -13.989 1.265 128 HG SER 16 HG SER 16 1.773 -15.382 -0.231 129 H LEU 17 H LEU 17 -1.288 -11.691 1.633 130 HA LEU 17 HA LEU 17 0.311 -10.153 3.513 131 1HB LEU 17 2HB LEU 17 -1.082 -9.381 1.370 132 2HB LEU 17 1HB LEU 17 -2.352 -9.226 2.560 133 HG LEU 17 HG LEU 17 -0.263 -7.392 1.918 134 1HD1 LEU 17 1HD1 LEU 17 -2.368 -6.524 2.195 135 2HD1 LEU 17 2HD1 LEU 17 -1.582 -6.064 3.705 136 3HD1 LEU 17 3HD1 LEU 17 -2.677 -7.447 3.664 137 1HD2 LEU 17 1HD2 LEU 17 0.305 -6.848 4.365 138 2HD2 LEU 17 2HD2 LEU 17 1.196 -8.144 3.570 139 3HD2 LEU 17 3HD2 LEU 17 -0.112 -8.530 4.688 140 H SER 18 H SER 18 -3.078 -11.246 3.279 141 HA SER 18 HA SER 18 -4.020 -10.494 5.731 142 1HB SER 18 2HB SER 18 -5.147 -11.815 3.753 143 2HB SER 18 1HB SER 18 -4.734 -13.224 4.731 144 HG SER 18 HG SER 18 -6.138 -10.990 5.758 145 H ALA 19 H ALA 19 -2.565 -13.678 5.033 146 HA ALA 19 HA ALA 19 -2.563 -14.696 7.608 147 1HB ALA 19 1HB ALA 19 -1.758 -15.635 5.224 148 2HB ALA 19 2HB ALA 19 -1.336 -16.396 6.758 149 3HB ALA 19 3HB ALA 19 -0.189 -15.318 5.965 150 H ILE 20 H ILE 20 -0.234 -12.579 6.038 151 HA ILE 20 HA ILE 20 1.738 -12.630 8.051 152 HB ILE 20 HB ILE 20 1.096 -10.681 5.853 153 1HG1 ILE 20 2HG1 ILE 20 3.459 -12.495 6.356 154 2HG1 ILE 20 1HG1 ILE 20 2.106 -12.862 5.290 155 1HG2 ILE 20 1HG2 ILE 20 2.930 -10.304 8.145 156 2HG2 ILE 20 2HG2 ILE 20 2.066 -9.113 7.173 157 3HG2 ILE 20 3HG2 ILE 20 3.536 -9.861 6.549 158 1HD1 ILE 20 1HD1 ILE 20 4.440 -11.170 4.853 159 2HD1 ILE 20 2HD1 ILE 20 2.916 -10.450 4.344 160 3HD1 ILE 20 3HD1 ILE 20 3.411 -12.013 3.696 161 H LEU 21 H LEU 21 -0.479 -9.913 7.307 162 HA LEU 21 HA LEU 21 -0.035 -8.398 9.545 163 1HB LEU 21 2HB LEU 21 -2.731 -8.830 8.273 164 2HB LEU 21 1HB LEU 21 -2.219 -7.430 9.201 165 HG LEU 21 HG LEU 21 -0.465 -7.955 6.939 166 1HD1 LEU 21 1HD1 LEU 21 -1.975 -8.433 5.390 167 2HD1 LEU 21 2HD1 LEU 21 -2.606 -6.802 5.615 168 3HD1 LEU 21 3HD1 LEU 21 -3.313 -8.152 6.503 169 1HD2 LEU 21 1HD2 LEU 21 -2.102 -5.577 7.802 170 2HD2 LEU 21 2HD2 LEU 21 -0.850 -5.566 6.559 171 3HD2 LEU 21 3HD2 LEU 21 -0.424 -5.906 8.236 172 H GLU 22 H GLU 22 -1.875 -11.346 9.284 173 HA GLU 22 HA GLU 22 -3.248 -11.140 11.759 174 1HB GLU 22 2HB GLU 22 -3.553 -12.734 9.650 175 2HB GLU 22 1HB GLU 22 -2.585 -13.808 10.651 176 1HG GLU 22 2HG GLU 22 -4.308 -13.244 12.493 177 2HG GLU 22 1HG GLU 22 -5.316 -12.713 11.148 178 H GLU 23 H GLU 23 -0.070 -12.221 10.826 179 HA GLU 23 HA GLU 23 0.451 -13.521 13.353 180 1HB GLU 23 2HB GLU 23 1.541 -14.519 11.513 181 2HB GLU 23 1HB GLU 23 2.081 -12.969 10.884 182 1HG GLU 23 2HG GLU 23 3.951 -13.019 12.075 183 2HG GLU 23 1HG GLU 23 3.105 -13.502 13.543 184 H GLU 24 H GLU 24 1.164 -10.469 11.764 185 HA GLU 24 HA GLU 24 2.906 -9.566 13.874 186 1HB GLU 24 2HB GLU 24 1.783 -8.263 11.409 187 2HB GLU 24 1HB GLU 24 2.701 -7.355 12.603 188 1HG GLU 24 2HG GLU 24 3.828 -9.847 11.399 189 2HG GLU 24 1HG GLU 24 3.908 -8.312 10.534 190 H GLY 25 H GLY 25 -0.419 -9.016 12.846 191 1HA GLY 25 2HA GLY 25 -2.160 -8.560 14.399 192 2HA GLY 25 1HA GLY 25 -0.965 -7.857 15.477 193 H TYR 26 H TYR 26 -1.134 -7.143 12.063 194 HA TYR 26 HA TYR 26 -1.398 -4.329 12.631 195 1HB TYR 26 2HB TYR 26 -0.956 -5.966 10.159 196 2HB TYR 26 1HB TYR 26 -1.425 -4.279 10.016 197 HD1 TYR 26 1HD TYR 26 0.398 -3.038 9.373 198 HD2 TYR 26 2HD TYR 26 0.918 -6.051 12.329 199 HE1 TYR 26 1HE TYR 26 2.739 -2.347 9.652 200 HE2 TYR 26 2HE TYR 26 3.263 -5.369 12.618 201 HH TYR 26 HH TYR 26 4.496 -2.491 11.490 202 H HIS 27 H HIS 27 -2.846 -3.274 10.666 203 HA HIS 27 HA HIS 27 -5.512 -4.492 10.792 204 1HB HIS 27 2HB HIS 27 -4.769 -2.265 12.304 205 2HB HIS 27 1HB HIS 27 -5.633 -1.587 10.927 206 HD1 HIS 27 1HD HIS 27 -6.569 -4.897 12.444 207 HD2 HIS 27 2HD HIS 27 -7.922 -0.969 12.363 208 HE1 HIS 27 1HE HIS 27 -8.854 -4.952 13.491 209 HE2 HIS 27 2HE HIS 27 -9.613 -2.549 13.518 210 HA PRO 28 HA PRO 28 -4.581 -3.224 6.502 211 1HB PRO 28 2HB PRO 28 -5.614 -5.396 5.299 212 2HB PRO 28 1HB PRO 28 -4.000 -5.397 6.018 213 1HG PRO 28 2HG PRO 28 -6.553 -6.513 7.086 214 2HG PRO 28 1HG PRO 28 -4.913 -7.171 7.184 215 1HD PRO 28 2HD PRO 28 -6.182 -5.804 9.219 216 2HD PRO 28 1HD PRO 28 -4.425 -5.968 9.062 217 H ASP 29 H ASP 29 -5.872 -1.899 5.444 218 HA ASP 29 HA ASP 29 -8.756 -2.149 5.857 219 1HB ASP 29 2HB ASP 29 -7.756 0.038 6.428 220 2HB ASP 29 1HB ASP 29 -7.253 0.217 4.752 221 H THR 30 H THR 30 -6.659 -3.190 3.750 222 HA THR 30 HA THR 30 -6.641 -3.070 1.340 223 HB THR 30 HB THR 30 -7.260 -5.253 0.839 224 HG1 THR 30 1HG THR 30 -9.401 -5.323 1.261 225 1HG2 THR 30 1HG2 THR 30 -6.241 -6.470 2.434 226 2HG2 THR 30 2HG2 THR 30 -7.206 -5.776 3.736 227 3HG2 THR 30 3HG2 THR 30 -5.845 -4.875 3.073 228 H ALA 31 H ALA 31 -7.505 -2.154 -0.325 229 HA ALA 31 HA ALA 31 -10.414 -1.700 -0.380 230 1HB ALA 31 1HB ALA 31 -8.817 0.289 -0.350 231 2HB ALA 31 2HB ALA 31 -10.051 0.274 -1.610 232 3HB ALA 31 3HB ALA 31 -8.389 -0.174 -1.997 233 H LYS 32 H LYS 32 -10.526 -0.987 -3.135 234 HA LYS 32 HA LYS 32 -10.031 -3.618 -4.366 235 1HB LYS 32 2HB LYS 32 -12.080 -1.687 -5.403 236 2HB LYS 32 1HB LYS 32 -12.011 -3.434 -5.590 237 1HG LYS 32 2HG LYS 32 -12.671 -3.762 -3.306 238 2HG LYS 32 1HG LYS 32 -12.577 -2.028 -2.990 239 1HD LYS 32 2HD LYS 32 -14.500 -1.572 -4.183 240 2HD LYS 32 1HD LYS 32 -14.364 -3.034 -5.162 241 1HE LYS 32 2HE LYS 32 -16.204 -3.257 -3.612 242 2HE LYS 32 1HE LYS 32 -14.919 -4.382 -3.176 243 1HZ LYS 32 1HZ LYS 32 -15.895 -2.035 -1.750 244 2HZ LYS 32 2HZ LYS 32 -14.231 -2.331 -1.673 245 3HZ LYS 32 3HZ LYS 32 -15.327 -3.509 -1.147 246 H THR 33 H THR 33 -9.758 -0.156 -4.742 247 HA THR 33 HA THR 33 -7.685 -0.464 -6.689 248 HB THR 33 HB THR 33 -9.847 1.245 -7.773 249 HG1 THR 33 1HG THR 33 -10.893 -0.578 -8.681 250 1HG2 THR 33 1HG2 THR 33 -7.558 -0.237 -8.762 251 2HG2 THR 33 2HG2 THR 33 -8.396 1.154 -9.449 252 3HG2 THR 33 3HG2 THR 33 -9.008 -0.476 -9.738 253 H LEU 34 H LEU 34 -7.373 1.969 -7.691 254 HA LEU 34 HA LEU 34 -6.499 3.503 -5.500 255 1HB LEU 34 2HB LEU 34 -6.970 4.482 -8.314 256 2HB LEU 34 1HB LEU 34 -5.897 5.187 -7.119 257 HG LEU 34 HG LEU 34 -5.454 2.373 -8.042 258 1HD1 LEU 34 1HD1 LEU 34 -4.142 4.677 -9.418 259 2HD1 LEU 34 2HD1 LEU 34 -5.698 4.067 -9.982 260 3HD1 LEU 34 3HD1 LEU 34 -4.295 3.000 -9.939 261 1HD2 LEU 34 1HD2 LEU 34 -4.263 3.789 -6.113 262 2HD2 LEU 34 2HD2 LEU 34 -3.277 4.292 -7.485 263 3HD2 LEU 34 3HD2 LEU 34 -3.415 2.583 -7.080 264 H ARG 35 H ARG 35 -9.314 3.832 -7.635 265 HA ARG 35 HA ARG 35 -10.307 6.239 -6.630 266 1HB ARG 35 2HB ARG 35 -11.162 5.100 -8.662 267 2HB ARG 35 1HB ARG 35 -11.904 3.876 -7.640 268 1HG ARG 35 2HG ARG 35 -12.779 6.386 -6.694 269 2HG ARG 35 1HG ARG 35 -12.935 6.402 -8.451 270 1HD ARG 35 2HD ARG 35 -14.113 4.197 -8.272 271 2HD ARG 35 1HD ARG 35 -14.107 4.407 -6.521 272 HE ARG 35 HE ARG 35 -15.834 5.690 -8.404 273 1HH1 ARG 35 1HH1 ARG 35 -14.290 6.047 -5.295 274 2HH1 ARG 35 2HH1 ARG 35 -15.479 7.152 -4.692 275 1HH2 ARG 35 1HH2 ARG 35 -17.397 7.145 -7.615 276 2HH2 ARG 35 2HH2 ARG 35 -17.242 7.778 -6.009 277 H GLU 36 H GLU 36 -11.165 2.909 -5.701 278 HA GLU 36 HA GLU 36 -12.821 3.643 -3.536 279 1HB GLU 36 2HB GLU 36 -11.869 1.218 -4.737 280 2HB GLU 36 1HB GLU 36 -11.668 1.107 -2.995 281 1HG GLU 36 2HG GLU 36 -13.778 0.266 -3.266 282 2HG GLU 36 1HG GLU 36 -14.123 1.962 -2.930 283 H ALA 37 H ALA 37 -9.379 3.234 -3.884 284 HA ALA 37 HA ALA 37 -8.769 3.085 -1.104 285 1HB ALA 37 1HB ALA 37 -6.442 3.655 -1.882 286 2HB ALA 37 2HB ALA 37 -7.093 3.742 -3.519 287 3HB ALA 37 3HB ALA 37 -7.157 2.224 -2.623 288 H GLU 38 H GLU 38 -9.347 5.677 -3.356 289 HA GLU 38 HA GLU 38 -8.179 7.747 -1.775 290 1HB GLU 38 2HB GLU 38 -10.206 7.810 -4.011 291 2HB GLU 38 1HB GLU 38 -9.553 9.254 -3.252 292 1HG GLU 38 2HG GLU 38 -7.462 8.958 -4.165 293 2HG GLU 38 1HG GLU 38 -7.692 7.225 -4.392 294 H LYS 39 H LYS 39 -11.432 6.451 -2.203 295 HA LYS 39 HA LYS 39 -12.735 8.273 -0.471 296 1HB LYS 39 2HB LYS 39 -14.079 7.052 -2.015 297 2HB LYS 39 1HB LYS 39 -13.444 5.511 -1.458 298 1HG LYS 39 2HG LYS 39 -14.936 7.245 0.452 299 2HG LYS 39 1HG LYS 39 -15.824 6.304 -0.747 300 1HD LYS 39 2HD LYS 39 -13.900 4.575 0.375 301 2HD LYS 39 1HD LYS 39 -14.644 5.443 1.719 302 1HE LYS 39 2HE LYS 39 -16.047 3.622 1.475 303 2HE LYS 39 1HE LYS 39 -16.874 4.858 0.528 304 1HZ LYS 39 1HZ LYS 39 -15.387 2.497 -0.396 305 2HZ LYS 39 2HZ LYS 39 -15.482 3.856 -1.399 306 3HZ LYS 39 3HZ LYS 39 -16.896 3.079 -0.895 307 H LYS 40 H LYS 40 -11.028 5.256 0.013 308 HA LYS 40 HA LYS 40 -11.868 4.901 2.729 309 1HB LYS 40 2HB LYS 40 -9.562 3.674 1.208 310 2HB LYS 40 1HB LYS 40 -10.118 3.158 2.794 311 1HG LYS 40 2HG LYS 40 -12.105 3.221 0.595 312 2HG LYS 40 1HG LYS 40 -10.881 1.950 0.569 313 1HD LYS 40 2HD LYS 40 -11.658 0.975 2.501 314 2HD LYS 40 1HD LYS 40 -12.349 2.481 3.109 315 1HE LYS 40 2HE LYS 40 -14.264 1.383 2.527 316 2HE LYS 40 1HE LYS 40 -13.917 2.208 1.008 317 1HZ LYS 40 1HZ LYS 40 -14.359 0.028 0.390 318 2HZ LYS 40 2HZ LYS 40 -13.507 -0.635 1.693 319 3HZ LYS 40 3HZ LYS 40 -12.669 0.082 0.410 320 H ILE 41 H ILE 41 -9.127 6.400 1.110 321 HA ILE 41 HA ILE 41 -7.633 6.813 3.526 322 HB ILE 41 HB ILE 41 -7.324 8.068 0.793 323 1HG1 ILE 41 2HG1 ILE 41 -5.407 6.105 1.968 324 2HG1 ILE 41 1HG1 ILE 41 -6.931 5.497 1.331 325 1HG2 ILE 41 1HG2 ILE 41 -5.614 8.251 3.261 326 2HG2 ILE 41 2HG2 ILE 41 -6.323 9.567 2.325 327 3HG2 ILE 41 3HG2 ILE 41 -5.007 8.609 1.644 328 1HD1 ILE 41 1HD1 ILE 41 -6.364 6.730 -0.805 329 2HD1 ILE 41 2HD1 ILE 41 -5.382 5.316 -0.418 330 3HD1 ILE 41 3HD1 ILE 41 -4.747 6.936 -0.133 331 H LYS 42 H LYS 42 -10.108 8.526 1.799 332 HA LYS 42 HA LYS 42 -9.636 11.059 3.062 333 1HB LYS 42 2HB LYS 42 -11.823 9.952 1.337 334 2HB LYS 42 1HB LYS 42 -11.998 11.512 2.129 335 1HG LYS 42 2HG LYS 42 -9.844 12.192 1.022 336 2HG LYS 42 1HG LYS 42 -9.957 10.706 0.078 337 1HD LYS 42 2HD LYS 42 -11.671 11.481 -1.189 338 2HD LYS 42 1HD LYS 42 -12.376 12.402 0.141 339 1HE LYS 42 2HE LYS 42 -11.501 14.255 -0.713 340 2HE LYS 42 1HE LYS 42 -9.889 13.593 -0.450 341 1HZ LYS 42 1HZ LYS 42 -10.581 12.352 -2.702 342 2HZ LYS 42 2HZ LYS 42 -9.755 13.828 -2.669 343 3HZ LYS 42 3HZ LYS 42 -11.431 13.800 -2.899 344 H GLU 43 H GLU 43 -10.852 8.186 4.208 345 HA GLU 43 HA GLU 43 -12.751 9.467 6.026 346 1HB GLU 43 2HB GLU 43 -12.294 6.633 5.187 347 2HB GLU 43 1HB GLU 43 -13.168 6.996 6.669 348 1HG GLU 43 2HG GLU 43 -14.449 8.614 4.934 349 2HG GLU 43 1HG GLU 43 -13.988 7.290 3.867 350 H LEU 44 H LEU 44 -10.020 7.182 6.118 351 HA LEU 44 HA LEU 44 -9.516 8.067 8.883 352 1HB LEU 44 2HB LEU 44 -8.701 5.912 9.432 353 2HB LEU 44 1HB LEU 44 -10.232 5.680 8.612 354 HG LEU 44 HG LEU 44 -8.581 5.423 6.513 355 1HD1 LEU 44 1HD1 LEU 44 -6.895 3.770 8.090 356 2HD1 LEU 44 2HD1 LEU 44 -6.839 5.401 8.755 357 3HD1 LEU 44 3HD1 LEU 44 -6.452 5.129 7.057 358 1HD2 LEU 44 1HD2 LEU 44 -8.570 2.873 7.510 359 2HD2 LEU 44 2HD2 LEU 44 -9.902 3.621 6.629 360 3HD2 LEU 44 3HD2 LEU 44 -9.904 3.619 8.392 361 H PHE 45 H PHE 45 -7.088 7.346 9.443 362 HA PHE 45 HA PHE 45 -5.423 8.670 7.411 363 1HB PHE 45 2HB PHE 45 -5.704 9.583 9.835 364 2HB PHE 45 1HB PHE 45 -4.596 8.286 10.272 365 HD1 PHE 45 1HD PHE 45 -4.733 11.634 9.599 366 HD2 PHE 45 2HD PHE 45 -2.510 8.175 8.498 367 HE1 PHE 45 1HE PHE 45 -2.828 13.061 8.975 368 HE2 PHE 45 2HE PHE 45 -0.602 9.596 7.872 369 HZ PHE 45 HZ PHE 45 -0.758 12.042 8.111 370 H PHE 46 H PHE 46 -4.330 7.262 6.203 371 HA PHE 46 HA PHE 46 -3.455 4.736 7.384 372 1HB PHE 46 2HB PHE 46 -3.649 5.678 4.524 373 2HB PHE 46 1HB PHE 46 -2.928 4.140 4.987 374 HD1 PHE 46 1HD PHE 46 -5.865 5.695 3.937 375 HD2 PHE 46 2HD PHE 46 -4.450 2.674 6.578 376 HE1 PHE 46 1HE PHE 46 -8.094 4.651 3.938 377 HE2 PHE 46 2HE PHE 46 -6.677 1.628 6.583 378 HZ PHE 46 HZ PHE 46 -8.502 2.625 5.262 379 HA PRO 47 HA PRO 47 0.628 6.639 7.674 380 1HB PRO 47 2HB PRO 47 1.776 4.636 9.078 381 2HB PRO 47 1HB PRO 47 0.686 5.807 9.832 382 1HG PRO 47 2HG PRO 47 0.115 3.026 8.882 383 2HG PRO 47 1HG PRO 47 -0.388 3.818 10.387 384 1HD PRO 47 2HD PRO 47 -2.024 3.563 8.237 385 2HD PRO 47 1HD PRO 47 -2.126 4.927 9.367 386 H VAL 48 H VAL 48 -0.302 3.596 6.328 387 HA VAL 48 HA VAL 48 1.953 3.672 4.502 388 HB VAL 48 HB VAL 48 1.270 1.094 5.881 389 1HG1 VAL 48 1HG1 VAL 48 2.706 1.557 3.641 390 2HG1 VAL 48 2HG1 VAL 48 2.975 0.193 4.727 391 3HG1 VAL 48 3HG1 VAL 48 3.972 1.641 4.866 392 1HG2 VAL 48 1HG2 VAL 48 1.926 2.503 7.658 393 2HG2 VAL 48 2HG2 VAL 48 3.245 3.193 6.714 394 3HG2 VAL 48 3HG2 VAL 48 3.329 1.514 7.251 395 H ILE 49 H ILE 49 1.376 3.057 2.499 396 HA ILE 49 HA ILE 49 -1.221 1.725 2.130 397 HB ILE 49 HB ILE 49 0.114 3.528 0.110 398 1HG1 ILE 49 2HG1 ILE 49 -0.381 4.853 2.104 399 2HG1 ILE 49 1HG1 ILE 49 -1.486 5.275 0.799 400 1HG2 ILE 49 1HG2 ILE 49 -2.388 1.980 0.246 401 2HG2 ILE 49 2HG2 ILE 49 -1.410 2.441 -1.147 402 3HG2 ILE 49 3HG2 ILE 49 -2.523 3.604 -0.428 403 1HD1 ILE 49 1HD1 ILE 49 -2.063 3.603 3.226 404 2HD1 ILE 49 2HD1 ILE 49 -3.159 3.739 1.851 405 3HD1 ILE 49 3HD1 ILE 49 -2.749 5.170 2.797 406 H VAL 50 H VAL 50 -1.337 0.270 0.244 407 HA VAL 50 HA VAL 50 1.200 -0.539 -0.906 408 HB VAL 50 HB VAL 50 -0.434 -2.524 0.673 409 1HG1 VAL 50 1HG1 VAL 50 2.277 -3.253 -0.111 410 2HG1 VAL 50 2HG1 VAL 50 1.211 -2.981 -1.488 411 3HG1 VAL 50 3HG1 VAL 50 0.773 -4.163 -0.255 412 1HG2 VAL 50 1HG2 VAL 50 1.541 -2.598 2.157 413 2HG2 VAL 50 2HG2 VAL 50 0.722 -1.038 2.173 414 3HG2 VAL 50 3HG2 VAL 50 2.223 -1.236 1.269 415 H LEU 51 H LEU 51 0.575 -0.275 -2.936 416 HA LEU 51 HA LEU 51 -1.982 -1.108 -3.927 417 1HB LEU 51 2HB LEU 51 -0.551 0.794 -4.833 418 2HB LEU 51 1HB LEU 51 0.456 -0.437 -5.570 419 HG LEU 51 HG LEU 51 -1.339 -1.166 -6.986 420 1HD1 LEU 51 1HD1 LEU 51 -3.235 -1.041 -5.577 421 2HD1 LEU 51 2HD1 LEU 51 -3.535 0.073 -6.910 422 3HD1 LEU 51 3HD1 LEU 51 -3.032 0.694 -5.339 423 1HD2 LEU 51 1HD2 LEU 51 -1.187 1.844 -6.914 424 2HD2 LEU 51 2HD2 LEU 51 -1.769 0.879 -8.269 425 3HD2 LEU 51 3HD2 LEU 51 -0.084 0.762 -7.764 426 H ASP 52 H ASP 52 -2.050 -2.606 -5.897 427 HA ASP 52 HA ASP 52 -0.218 -4.876 -5.494 428 1HB ASP 52 2HB ASP 52 -2.558 -5.175 -4.516 429 2HB ASP 52 1HB ASP 52 -3.133 -5.213 -6.180 430 H VAL 53 H VAL 53 -2.552 -3.397 -7.731 431 HA VAL 53 HA VAL 53 -2.518 -3.154 -9.997 432 HB VAL 53 HB VAL 53 0.318 -4.198 -9.918 433 1HG1 VAL 53 1HG1 VAL 53 -0.074 -4.143 -12.141 434 2HG1 VAL 53 2HG1 VAL 53 0.251 -2.422 -11.929 435 3HG1 VAL 53 3HG1 VAL 53 -1.413 -3.005 -11.988 436 1HG2 VAL 53 1HG2 VAL 53 0.072 -2.311 -8.387 437 2HG2 VAL 53 2HG2 VAL 53 -0.664 -1.356 -9.674 438 3HG2 VAL 53 3HG2 VAL 53 1.020 -1.860 -9.803 439 H TRP 54 H TRP 54 -3.501 -5.538 -8.811 440 HA TRP 54 HA TRP 54 -2.599 -7.873 -10.107 441 1HB TRP 54 2HB TRP 54 -3.954 -8.070 -8.129 442 2HB TRP 54 1HB TRP 54 -5.271 -7.173 -8.875 443 HD1 TRP 54 HD TRP 54 -7.184 -8.854 -9.151 444 HE1 TRP 54 1HE TRP 54 -7.427 -11.224 -10.124 445 HE3 TRP 54 3HE TRP 54 -2.265 -9.831 -10.146 446 HZ2 TRP 54 2HZ TRP 54 -5.755 -13.241 -11.173 447 HZ3 TRP 54 3HZ TRP 54 -1.672 -12.005 -11.134 448 HH2 TRP 54 HH TRP 54 -3.382 -13.674 -11.636 449 H MET 55 H MET 55 -5.869 -6.627 -10.668 450 HA MET 55 HA MET 55 -5.378 -6.348 -13.509 451 1HB MET 55 2HB MET 55 -6.051 -8.829 -12.735 452 2HB MET 55 1HB MET 55 -7.661 -8.137 -12.880 453 1HG MET 55 2HG MET 55 -6.591 -7.312 -15.202 454 2HG MET 55 1HG MET 55 -5.688 -8.806 -14.958 455 1HE MET 55 1HE MET 55 -7.463 -11.382 -14.470 456 2HE MET 55 2HE MET 55 -6.233 -10.787 -15.586 457 3HE MET 55 3HE MET 55 -7.761 -11.412 -16.209 458 HA PRO 56 HA PRO 56 -8.967 -3.840 -11.882 459 1HB PRO 56 2HB PRO 56 -7.697 -1.692 -10.743 460 2HB PRO 56 1HB PRO 56 -8.181 -3.136 -9.855 461 1HG PRO 56 2HG PRO 56 -5.522 -2.208 -10.456 462 2HG PRO 56 1HG PRO 56 -6.005 -3.608 -9.487 463 1HD PRO 56 2HD PRO 56 -5.121 -3.484 -12.299 464 2HD PRO 56 1HD PRO 56 -5.120 -4.852 -11.173 465 H ASP 57 H ASP 57 -8.955 -1.102 -12.037 466 HA ASP 57 HA ASP 57 -7.977 -0.560 -14.763 467 1HB ASP 57 2HB ASP 57 -10.532 0.468 -13.509 468 2HB ASP 57 1HB ASP 57 -9.965 0.812 -15.140 469 H GLY 58 H GLY 58 -6.696 -0.010 -12.181 470 1HA GLY 58 2HA GLY 58 -6.885 2.911 -11.998 471 2HA GLY 58 1HA GLY 58 -6.098 1.854 -10.836 472 H ASP 59 H ASP 59 -3.959 1.338 -11.083 473 HA ASP 59 HA ASP 59 -1.797 1.652 -11.723 474 1HB ASP 59 2HB ASP 59 -2.982 0.422 -13.769 475 2HB ASP 59 1HB ASP 59 -2.585 1.931 -14.586 476 H GLY 60 H GLY 60 -2.716 3.910 -10.758 477 1HA GLY 60 2HA GLY 60 -2.237 6.034 -12.724 478 2HA GLY 60 1HA GLY 60 -2.979 6.244 -11.146 479 H VAL 61 H VAL 61 -0.137 6.483 -12.949 480 HA VAL 61 HA VAL 61 1.835 6.162 -10.969 481 HB VAL 61 HB VAL 61 1.827 7.887 -13.452 482 1HG1 VAL 61 1HG1 VAL 61 4.396 7.378 -13.107 483 2HG1 VAL 61 2HG1 VAL 61 3.899 7.318 -11.416 484 3HG1 VAL 61 3HG1 VAL 61 3.611 8.774 -12.370 485 1HG2 VAL 61 1HG2 VAL 61 3.280 5.298 -13.204 486 2HG2 VAL 61 2HG2 VAL 61 2.628 6.092 -14.637 487 3HG2 VAL 61 3HG2 VAL 61 1.543 5.280 -13.508 488 H ASN 62 H ASN 62 -0.249 8.834 -11.831 489 HA ASN 62 HA ASN 62 1.158 10.748 -10.211 490 1HB ASN 62 2HB ASN 62 -0.935 10.809 -12.175 491 2HB ASN 62 1HB ASN 62 -1.462 11.682 -10.740 492 1HD2 ASN 62 1HD2 ASN 62 1.739 11.312 -12.208 493 2HD2 ASN 62 2HD2 ASN 62 2.016 13.000 -12.443 494 H PHE 63 H PHE 63 -0.792 8.190 -9.422 495 HA PHE 63 HA PHE 63 -2.547 9.228 -7.502 496 1HB PHE 63 2HB PHE 63 -2.690 6.925 -8.365 497 2HB PHE 63 1HB PHE 63 -1.190 6.522 -7.535 498 HD1 PHE 63 1HD PHE 63 -4.211 8.406 -6.426 499 HD2 PHE 63 2HD PHE 63 -1.680 5.032 -5.844 500 HE1 PHE 63 1HE PHE 63 -5.499 7.790 -4.423 501 HE2 PHE 63 2HE PHE 63 -2.966 4.411 -3.842 502 HZ PHE 63 HZ PHE 63 -4.878 5.789 -3.129 503 H ILE 64 H ILE 64 0.855 8.483 -7.360 504 HA ILE 64 HA ILE 64 1.368 8.252 -4.681 505 HB ILE 64 HB ILE 64 3.307 10.092 -5.793 506 1HG1 ILE 64 2HG1 ILE 64 2.407 9.172 -7.949 507 2HG1 ILE 64 1HG1 ILE 64 4.109 8.850 -7.670 508 1HG2 ILE 64 1HG2 ILE 64 4.625 7.783 -5.542 509 2HG2 ILE 64 2HG2 ILE 64 3.213 7.420 -4.550 510 3HG2 ILE 64 3HG2 ILE 64 4.218 8.819 -4.173 511 1HD1 ILE 64 1HD1 ILE 64 1.856 6.892 -7.271 512 2HD1 ILE 64 2HD1 ILE 64 3.563 6.572 -6.970 513 3HD1 ILE 64 3HD1 ILE 64 3.006 6.909 -8.607 514 H ASP 65 H ASP 65 0.698 11.211 -6.476 515 HA ASP 65 HA ASP 65 1.292 13.036 -4.420 516 1HB ASP 65 2HB ASP 65 0.555 13.277 -7.030 517 2HB ASP 65 1HB ASP 65 -0.934 13.761 -6.223 518 H PHE 66 H PHE 66 -1.849 11.664 -5.426 519 HA PHE 66 HA PHE 66 -3.456 12.842 -3.513 520 1HB PHE 66 2HB PHE 66 -4.378 11.497 -5.327 521 2HB PHE 66 1HB PHE 66 -3.658 10.042 -4.646 522 HD1 PHE 66 1HD PHE 66 -4.448 9.268 -2.369 523 HD2 PHE 66 2HD PHE 66 -6.497 12.214 -4.657 524 HE1 PHE 66 1HE PHE 66 -6.481 8.880 -1.039 525 HE2 PHE 66 2HE PHE 66 -8.534 11.832 -3.331 526 HZ PHE 66 HZ PHE 66 -8.528 10.163 -1.520 527 H ILE 67 H ILE 67 -1.192 10.217 -3.205 528 HA ILE 67 HA ILE 67 -2.045 9.210 -0.708 529 HB ILE 67 HB ILE 67 0.838 9.206 -1.546 530 1HG1 ILE 67 2HG1 ILE 67 -0.178 8.584 -3.589 531 2HG1 ILE 67 1HG1 ILE 67 0.276 7.073 -2.818 532 1HG2 ILE 67 1HG2 ILE 67 0.504 6.798 -0.638 533 2HG2 ILE 67 2HG2 ILE 67 -0.950 7.475 0.096 534 3HG2 ILE 67 3HG2 ILE 67 0.632 8.150 0.487 535 1HD1 ILE 67 1HD1 ILE 67 -2.132 7.570 -3.926 536 2HD1 ILE 67 2HD1 ILE 67 -2.455 7.979 -2.243 537 3HD1 ILE 67 3HD1 ILE 67 -1.845 6.379 -2.659 538 H LYS 68 H LYS 68 0.563 11.481 -1.559 539 HA LYS 68 HA LYS 68 1.097 12.161 1.171 540 1HB LYS 68 2HB LYS 68 1.919 13.580 -1.370 541 2HB LYS 68 1HB LYS 68 2.592 13.864 0.229 542 1HG LYS 68 2HG LYS 68 2.979 11.194 -0.026 543 2HG LYS 68 1HG LYS 68 3.140 11.727 -1.701 544 1HD LYS 68 2HD LYS 68 5.074 12.817 -1.301 545 2HD LYS 68 1HD LYS 68 4.539 13.391 0.280 546 1HE LYS 68 2HE LYS 68 6.005 11.913 1.102 547 2HE LYS 68 1HE LYS 68 4.785 10.705 0.704 548 1HZ LYS 68 1HZ LYS 68 7.261 10.539 -0.158 549 2HZ LYS 68 2HZ LYS 68 6.634 11.482 -1.416 550 3HZ LYS 68 3HZ LYS 68 5.956 9.970 -1.071 551 H GLU 69 H GLU 69 -1.184 13.186 -1.167 552 HA GLU 69 HA GLU 69 -1.600 15.847 -0.320 553 1HB GLU 69 2HB GLU 69 -2.406 14.871 -2.473 554 2HB GLU 69 1HB GLU 69 -3.615 13.977 -1.563 555 1HG GLU 69 2HG GLU 69 -4.304 16.312 -0.675 556 2HG GLU 69 1HG GLU 69 -3.428 16.907 -2.085 557 H ASN 70 H ASN 70 -3.133 12.785 0.581 558 HA ASN 70 HA ASN 70 -4.411 14.173 2.843 559 1HB ASN 70 2HB ASN 70 -5.319 11.522 1.743 560 2HB ASN 70 1HB ASN 70 -6.214 12.655 2.751 561 1HD2 ASN 70 1HD2 ASN 70 -4.695 12.355 -0.427 562 2HD2 ASN 70 2HD2 ASN 70 -5.838 13.340 -1.264 563 H SER 71 H SER 71 -1.727 12.559 2.342 564 HA SER 71 HA SER 71 -1.622 11.529 5.020 565 1HB SER 71 2HB SER 71 -2.014 9.719 2.733 566 2HB SER 71 1HB SER 71 -0.659 9.284 3.775 567 HG SER 71 HG SER 71 -2.002 8.835 5.359 568 HA PRO 72 HA PRO 72 2.344 13.121 3.121 569 1HB PRO 72 2HB PRO 72 2.383 14.963 5.385 570 2HB PRO 72 1HB PRO 72 2.457 15.322 3.659 571 1HG PRO 72 2HG PRO 72 0.299 15.913 5.181 572 2HG PRO 72 1HG PRO 72 0.175 15.494 3.463 573 1HD PRO 72 2HD PRO 72 -0.347 13.794 5.871 574 2HD PRO 72 1HD PRO 72 -1.252 13.898 4.347 575 H ASP 73 H ASP 73 1.291 12.078 6.201 576 HA ASP 73 HA ASP 73 4.043 11.467 7.026 577 1HB ASP 73 2HB ASP 73 2.425 12.817 8.522 578 2HB ASP 73 1HB ASP 73 1.657 11.263 8.831 579 H SER 74 H SER 74 2.663 9.937 5.045 580 HA SER 74 HA SER 74 2.280 7.388 6.472 581 1HB SER 74 2HB SER 74 0.238 8.136 5.352 582 2HB SER 74 1HB SER 74 1.109 8.294 3.829 583 HG SER 74 HG SER 74 -0.071 6.315 4.016 584 H VAL 75 H VAL 75 2.351 5.809 4.076 585 HA VAL 75 HA VAL 75 4.939 6.296 2.859 586 HB VAL 75 HB VAL 75 4.488 3.699 4.334 587 1HG1 VAL 75 1HG1 VAL 75 6.878 4.806 2.843 588 2HG1 VAL 75 2HG1 VAL 75 5.813 3.517 2.281 589 3HG1 VAL 75 3HG1 VAL 75 6.825 3.268 3.705 590 1HG2 VAL 75 1HG2 VAL 75 4.882 5.294 6.019 591 2HG2 VAL 75 2HG2 VAL 75 6.080 6.150 5.049 592 3HG2 VAL 75 3HG2 VAL 75 6.455 4.559 5.710 593 H VAL 76 H VAL 76 5.060 5.535 0.849 594 HA VAL 76 HA VAL 76 2.826 3.847 -0.074 595 HB VAL 76 HB VAL 76 4.443 5.444 -2.007 596 1HG1 VAL 76 1HG1 VAL 76 2.916 4.468 -3.305 597 2HG1 VAL 76 2HG1 VAL 76 1.772 5.632 -2.636 598 3HG1 VAL 76 3HG1 VAL 76 1.907 4.021 -1.930 599 1HG2 VAL 76 1HG2 VAL 76 2.600 6.563 0.041 600 2HG2 VAL 76 2HG2 VAL 76 2.529 7.222 -1.593 601 3HG2 VAL 76 3HG2 VAL 76 4.042 7.267 -0.689 602 H ILE 77 H ILE 77 3.479 1.800 -0.201 603 HA ILE 77 HA ILE 77 6.196 1.166 -1.032 604 HB ILE 77 HB ILE 77 3.970 -0.741 -0.303 605 1HG1 ILE 77 2HG1 ILE 77 4.471 0.799 1.554 606 2HG1 ILE 77 1HG1 ILE 77 4.996 -0.842 1.920 607 1HG2 ILE 77 1HG2 ILE 77 6.187 -1.383 -1.612 608 2HG2 ILE 77 2HG2 ILE 77 5.487 -2.436 -0.383 609 3HG2 ILE 77 3HG2 ILE 77 6.846 -1.388 0.024 610 1HD1 ILE 77 1HD1 ILE 77 7.212 0.353 0.755 611 2HD1 ILE 77 2HD1 ILE 77 6.957 0.027 2.469 612 3HD1 ILE 77 3HD1 ILE 77 6.524 1.598 1.796 613 H VAL 78 H VAL 78 2.868 0.450 -2.099 614 HA VAL 78 HA VAL 78 2.032 -0.246 -4.110 615 HB VAL 78 HB VAL 78 4.371 1.344 -5.186 616 1HG1 VAL 78 1HG1 VAL 78 1.747 0.731 -6.536 617 2HG1 VAL 78 2HG1 VAL 78 3.223 -0.194 -6.807 618 3HG1 VAL 78 3HG1 VAL 78 3.163 1.516 -7.234 619 1HG2 VAL 78 1HG2 VAL 78 1.617 2.440 -5.062 620 2HG2 VAL 78 2HG2 VAL 78 3.173 3.260 -4.927 621 3HG2 VAL 78 3HG2 VAL 78 2.533 2.353 -3.557 622 H ILE 79 H ILE 79 2.582 -2.458 -3.639 623 HA ILE 79 HA ILE 79 4.919 -3.478 -5.106 624 HB ILE 79 HB ILE 79 3.291 -5.218 -3.304 625 1HG1 ILE 79 2HG1 ILE 79 5.449 -3.347 -2.316 626 2HG1 ILE 79 1HG1 ILE 79 3.725 -3.118 -2.039 627 1HG2 ILE 79 1HG2 ILE 79 5.707 -6.024 -2.839 628 2HG2 ILE 79 2HG2 ILE 79 6.111 -5.104 -4.289 629 3HG2 ILE 79 3HG2 ILE 79 4.947 -6.427 -4.378 630 1HD1 ILE 79 1HD1 ILE 79 4.048 -4.230 -0.144 631 2HD1 ILE 79 2HD1 ILE 79 5.625 -4.824 -0.664 632 3HD1 ILE 79 3HD1 ILE 79 4.158 -5.677 -1.146 633 H THR 80 H THR 80 4.664 -5.384 -6.426 634 HA THR 80 HA THR 80 1.962 -6.152 -7.166 635 HB THR 80 HB THR 80 2.114 -5.570 -9.459 636 HG1 THR 80 1HG THR 80 3.972 -5.550 -10.394 637 1HG2 THR 80 1HG2 THR 80 1.562 -3.638 -8.093 638 2HG2 THR 80 2HG2 THR 80 2.497 -3.170 -9.513 639 3HG2 THR 80 3HG2 THR 80 3.275 -3.252 -7.932 640 H GLY 81 H GLY 81 1.913 -8.282 -7.384 641 1HA GLY 81 2HA GLY 81 4.424 -9.733 -7.712 642 2HA GLY 81 1HA GLY 81 2.876 -10.423 -7.246 643 H HIS 82 H HIS 82 4.969 -9.574 -9.867 644 HA HIS 82 HA HIS 82 3.653 -11.393 -11.626 645 1HB HIS 82 2HB HIS 82 2.255 -9.229 -11.719 646 2HB HIS 82 1HB HIS 82 3.625 -8.539 -12.583 647 HD1 HIS 82 1HD HIS 82 1.011 -11.240 -12.912 648 HD2 HIS 82 2HD HIS 82 3.805 -9.231 -15.242 649 HE1 HIS 82 1HE HIS 82 0.530 -11.928 -15.282 650 HE2 HIS 82 2HE HIS 82 2.187 -10.645 -16.681 651 H GLY 83 H GLY 83 5.869 -8.635 -11.389 652 1HA GLY 83 2HA GLY 83 8.259 -9.297 -11.767 653 2HA GLY 83 1HA GLY 83 7.680 -10.056 -13.242 654 H SER 84 H SER 84 7.216 -6.877 -11.691 655 HA SER 84 HA SER 84 8.184 -5.628 -14.171 656 1HB SER 84 2HB SER 84 6.423 -3.827 -13.756 657 2HB SER 84 1HB SER 84 5.828 -5.380 -14.343 658 HG SER 84 HG SER 84 4.536 -4.828 -12.647 659 H VAL 85 H VAL 85 9.772 -4.228 -13.825 660 HA VAL 85 HA VAL 85 10.128 -3.168 -11.101 661 HB VAL 85 HB VAL 85 12.245 -3.396 -13.241 662 1HG1 VAL 85 1HG1 VAL 85 12.376 -1.743 -11.226 663 2HG1 VAL 85 2HG1 VAL 85 13.779 -2.718 -11.662 664 3HG1 VAL 85 3HG1 VAL 85 12.757 -3.198 -10.307 665 1HG2 VAL 85 1HG2 VAL 85 11.276 -5.601 -12.469 666 2HG2 VAL 85 2HG2 VAL 85 11.917 -5.220 -10.871 667 3HG2 VAL 85 3HG2 VAL 85 13.013 -5.398 -12.242 668 H ASP 86 H ASP 86 9.891 -2.342 -14.486 669 HA ASP 86 HA ASP 86 10.802 0.303 -14.391 670 1HB ASP 86 2HB ASP 86 8.587 -0.743 -16.166 671 2HB ASP 86 1HB ASP 86 9.648 0.626 -16.482 672 H THR 87 H THR 87 7.818 -1.121 -13.312 673 HA THR 87 HA THR 87 6.371 1.357 -13.188 674 HB THR 87 HB THR 87 5.424 -1.068 -13.301 675 HG1 THR 87 1HG THR 87 3.546 -0.298 -12.506 676 1HG2 THR 87 1HG2 THR 87 6.657 -1.539 -10.994 677 2HG2 THR 87 2HG2 THR 87 5.132 -2.309 -11.434 678 3HG2 THR 87 3HG2 THR 87 5.135 -0.907 -10.365 679 H ALA 88 H ALA 88 8.413 -0.517 -11.073 680 HA ALA 88 HA ALA 88 7.849 0.731 -8.628 681 1HB ALA 88 1HB ALA 88 9.953 -0.148 -7.871 682 2HB ALA 88 2HB ALA 88 10.524 -0.331 -9.529 683 3HB ALA 88 3HB ALA 88 9.208 -1.342 -8.934 684 H VAL 89 H VAL 89 10.537 1.329 -10.867 685 HA VAL 89 HA VAL 89 11.494 3.653 -9.650 686 HB VAL 89 HB VAL 89 12.698 4.085 -11.703 687 1HG1 VAL 89 1HG1 VAL 89 13.006 1.896 -10.180 688 2HG1 VAL 89 2HG1 VAL 89 14.063 2.292 -11.534 689 3HG1 VAL 89 3HG1 VAL 89 12.749 1.136 -11.749 690 1HG2 VAL 89 1HG2 VAL 89 11.877 3.641 -13.721 691 2HG2 VAL 89 2HG2 VAL 89 10.431 2.988 -12.952 692 3HG2 VAL 89 3HG2 VAL 89 11.777 1.920 -13.347 693 H LYS 90 H LYS 90 8.720 3.127 -11.620 694 HA LYS 90 HA LYS 90 8.442 5.881 -12.446 695 1HB LYS 90 2HB LYS 90 7.677 4.111 -13.919 696 2HB LYS 90 1HB LYS 90 6.595 3.501 -12.675 697 1HG LYS 90 2HG LYS 90 5.280 5.546 -12.802 698 2HG LYS 90 1HG LYS 90 6.379 6.182 -14.028 699 1HD LYS 90 2HD LYS 90 4.376 5.259 -15.061 700 2HD LYS 90 1HD LYS 90 5.797 4.313 -15.506 701 1HE LYS 90 2HE LYS 90 5.101 2.480 -14.371 702 2HE LYS 90 1HE LYS 90 4.334 3.429 -13.098 703 1HZ LYS 90 1HZ LYS 90 2.790 3.973 -15.237 704 2HZ LYS 90 2HZ LYS 90 2.447 2.790 -14.079 705 3HZ LYS 90 3HZ LYS 90 3.208 2.359 -15.527 706 H ALA 91 H ALA 91 7.788 4.183 -9.608 707 HA ALA 91 HA ALA 91 5.711 6.133 -8.850 708 1HB ALA 91 1HB ALA 91 5.217 4.301 -7.051 709 2HB ALA 91 2HB ALA 91 6.018 3.240 -8.210 710 3HB ALA 91 3HB ALA 91 4.582 4.144 -8.688 711 H ILE 92 H ILE 92 8.673 4.507 -7.859 712 HA ILE 92 HA ILE 92 8.732 5.664 -5.252 713 HB ILE 92 HB ILE 92 10.886 4.731 -4.980 714 1HG1 ILE 92 2HG1 ILE 92 10.987 4.397 -7.989 715 2HG1 ILE 92 1HG1 ILE 92 11.915 5.564 -7.053 716 1HG2 ILE 92 1HG2 ILE 92 10.538 2.398 -6.085 717 2HG2 ILE 92 2HG2 ILE 92 8.983 3.069 -6.571 718 3HG2 ILE 92 3HG2 ILE 92 9.405 2.973 -4.863 719 1HD1 ILE 92 1HD1 ILE 92 13.268 3.911 -6.121 720 2HD1 ILE 92 2HD1 ILE 92 13.090 3.435 -7.809 721 3HD1 ILE 92 3HD1 ILE 92 12.150 2.620 -6.559 722 H LYS 93 H LYS 93 10.131 6.539 -8.368 723 HA LYS 93 HA LYS 93 11.830 8.581 -7.480 724 1HB LYS 93 2HB LYS 93 10.798 7.633 -10.008 725 2HB LYS 93 1HB LYS 93 10.843 9.390 -9.983 726 1HG LYS 93 2HG LYS 93 13.088 9.467 -10.014 727 2HG LYS 93 1HG LYS 93 13.257 8.057 -8.966 728 1HD LYS 93 2HD LYS 93 13.040 6.561 -10.748 729 2HD LYS 93 1HD LYS 93 12.318 7.779 -11.802 730 1HE LYS 93 2HE LYS 93 14.880 8.715 -11.026 731 2HE LYS 93 1HE LYS 93 15.056 7.036 -11.537 732 1HZ LYS 93 1HZ LYS 93 15.239 8.080 -13.531 733 2HZ LYS 93 2HZ LYS 93 14.250 9.379 -13.092 734 3HZ LYS 93 3HZ LYS 93 13.557 7.891 -13.502 735 H LYS 94 H LYS 94 8.392 8.451 -7.826 736 HA LYS 94 HA LYS 94 7.991 11.296 -7.836 737 1HB LYS 94 2HB LYS 94 6.060 9.026 -7.348 738 2HB LYS 94 1HB LYS 94 5.604 10.714 -7.531 739 1HG LYS 94 2HG LYS 94 7.222 9.526 -9.701 740 2HG LYS 94 1HG LYS 94 5.554 8.972 -9.542 741 1HD LYS 94 2HD LYS 94 5.488 10.803 -11.034 742 2HD LYS 94 1HD LYS 94 4.892 11.417 -9.491 743 1HE LYS 94 2HE LYS 94 6.661 12.792 -9.207 744 2HE LYS 94 1HE LYS 94 7.798 11.642 -9.909 745 1HZ LYS 94 1HZ LYS 94 7.805 13.106 -11.592 746 2HZ LYS 94 2HZ LYS 94 6.311 13.782 -11.176 747 3HZ LYS 94 3HZ LYS 94 6.371 12.338 -12.055 748 H GLY 95 H GLY 95 7.255 8.729 -5.457 749 1HA GLY 95 2HA GLY 95 8.317 10.084 -3.255 750 2HA GLY 95 1HA GLY 95 6.620 10.518 -3.369 751 H ALA 96 H ALA 96 7.921 7.361 -4.252 752 HA ALA 96 HA ALA 96 6.168 6.154 -2.266 753 1HB ALA 96 1HB ALA 96 6.127 4.297 -3.557 754 2HB ALA 96 2HB ALA 96 7.836 4.415 -3.974 755 3HB ALA 96 3HB ALA 96 6.654 5.426 -4.804 756 H TYR 97 H TYR 97 7.547 3.769 -1.786 757 HA TYR 97 HA TYR 97 9.731 4.759 -0.088 758 1HB TYR 97 2HB TYR 97 7.681 3.726 0.982 759 2HB TYR 97 1HB TYR 97 8.195 2.193 0.295 760 HD1 TYR 97 1HD TYR 97 10.014 0.958 1.247 761 HD2 TYR 97 2HD TYR 97 9.044 4.830 2.717 762 HE1 TYR 97 1HE TYR 97 11.468 0.576 3.192 763 HE2 TYR 97 2HE TYR 97 10.494 4.459 4.668 764 HH TYR 97 HH TYR 97 12.802 2.300 4.861 765 H GLU 98 H GLU 98 9.869 3.915 -2.918 766 HA GLU 98 HA GLU 98 11.552 3.041 -4.188 767 1HB GLU 98 2HB GLU 98 13.498 2.358 -3.264 768 2HB GLU 98 1HB GLU 98 12.782 3.031 -1.811 769 1HG GLU 98 2HG GLU 98 11.859 0.522 -1.629 770 2HG GLU 98 1HG GLU 98 13.339 0.225 -2.538 771 H PHE 99 H PHE 99 8.914 1.718 -3.364 772 HA PHE 99 HA PHE 99 7.747 -0.160 -3.914 773 1HB PHE 99 2HB PHE 99 9.688 0.269 -5.978 774 2HB PHE 99 1HB PHE 99 9.471 -1.461 -5.750 775 HD1 PHE 99 1HD PHE 99 8.038 -2.372 -7.273 776 HD2 PHE 99 2HD PHE 99 7.202 1.509 -5.740 777 HE1 PHE 99 1HE PHE 99 5.984 -2.288 -8.624 778 HE2 PHE 99 2HE PHE 99 5.144 1.599 -7.088 779 HZ PHE 99 HZ PHE 99 4.533 -0.300 -8.531 780 H LEU 100 H LEU 100 7.802 -2.579 -3.949 781 HA LEU 100 HA LEU 100 9.917 -3.599 -2.184 782 1HB LEU 100 2HB LEU 100 7.381 -3.314 -1.422 783 2HB LEU 100 1HB LEU 100 7.224 -4.864 -2.225 784 HG LEU 100 HG LEU 100 7.627 -5.507 -0.054 785 1HD1 LEU 100 1HD1 LEU 100 9.262 -6.544 -1.555 786 2HD1 LEU 100 2HD1 LEU 100 9.894 -6.358 0.082 787 3HD1 LEU 100 3HD1 LEU 100 10.403 -5.250 -1.192 788 1HD2 LEU 100 1HD2 LEU 100 9.218 -3.003 0.087 789 2HD2 LEU 100 2HD2 LEU 100 9.610 -4.308 1.206 790 3HD2 LEU 100 3HD2 LEU 100 7.985 -3.622 1.185 791 H GLU 101 H GLU 101 11.113 -5.161 -3.060 792 HA GLU 101 HA GLU 101 10.489 -6.291 -5.596 793 1HB GLU 101 2HB GLU 101 12.734 -6.289 -3.751 794 2HB GLU 101 1HB GLU 101 12.495 -7.871 -4.478 795 1HG GLU 101 2HG GLU 101 13.985 -6.784 -5.899 796 2HG GLU 101 1HG GLU 101 12.425 -6.656 -6.711 797 H LYS 102 H LYS 102 11.149 -8.921 -5.508 798 HA LYS 102 HA LYS 102 10.304 -11.002 -5.158 799 1HB LYS 102 2HB LYS 102 10.396 -9.766 -2.557 800 2HB LYS 102 1HB LYS 102 9.010 -10.843 -2.657 801 1HG LYS 102 2HG LYS 102 11.794 -11.679 -3.417 802 2HG LYS 102 1HG LYS 102 11.131 -11.865 -1.792 803 1HD LYS 102 2HD LYS 102 10.346 -13.840 -2.478 804 2HD LYS 102 1HD LYS 102 9.170 -12.930 -3.428 805 1HE LYS 102 2HE LYS 102 10.082 -14.238 -5.067 806 2HE LYS 102 1HE LYS 102 11.144 -12.834 -5.165 807 1HZ LYS 102 1HZ LYS 102 12.354 -14.955 -5.155 808 2HZ LYS 102 2HZ LYS 102 11.741 -15.296 -3.615 809 3HZ LYS 102 3HZ LYS 102 12.774 -13.976 -3.842 810 HA PRO 103 HA PRO 103 6.093 -9.522 -6.354 811 1HB PRO 103 2HB PRO 103 5.985 -10.854 -8.703 812 2HB PRO 103 1HB PRO 103 6.772 -9.279 -8.540 813 1HG PRO 103 2HG PRO 103 7.996 -12.013 -8.576 814 2HG PRO 103 1HG PRO 103 8.532 -10.537 -9.402 815 1HD PRO 103 2HD PRO 103 9.652 -11.413 -7.090 816 2HD PRO 103 1HD PRO 103 9.536 -9.693 -7.509 817 H PHE 104 H PHE 104 7.474 -12.435 -5.462 818 HA PHE 104 HA PHE 104 5.301 -14.190 -6.065 819 1HB PHE 104 2HB PHE 104 7.798 -14.757 -5.573 820 2HB PHE 104 1HB PHE 104 7.296 -14.719 -3.887 821 HD1 PHE 104 1HD PHE 104 7.820 -16.805 -6.589 822 HD2 PHE 104 2HD PHE 104 5.009 -16.083 -3.476 823 HE1 PHE 104 1HE PHE 104 7.015 -19.122 -6.784 824 HE2 PHE 104 2HE PHE 104 4.199 -18.399 -3.664 825 HZ PHE 104 HZ PHE 104 5.203 -19.921 -5.320 826 H SER 105 H SER 105 6.509 -12.844 -2.984 827 HA SER 105 HA SER 105 3.752 -12.689 -2.031 828 1HB SER 105 2HB SER 105 5.902 -13.962 -0.331 829 2HB SER 105 1HB SER 105 4.172 -13.875 0.001 830 HG SER 105 HG SER 105 5.542 -15.720 -1.400 831 H VAL 106 H VAL 106 3.662 -11.531 0.130 832 HA VAL 106 HA VAL 106 5.390 -9.189 -0.040 833 HB VAL 106 HB VAL 106 3.834 -8.148 1.538 834 1HG1 VAL 106 1HG1 VAL 106 2.091 -9.442 -0.507 835 2HG1 VAL 106 2HG1 VAL 106 3.436 -8.425 -1.025 836 3HG1 VAL 106 3HG1 VAL 106 2.167 -7.755 0.002 837 1HG2 VAL 106 1HG2 VAL 106 1.711 -10.052 1.503 838 2HG2 VAL 106 2HG2 VAL 106 2.539 -9.336 2.884 839 3HG2 VAL 106 3HG2 VAL 106 3.159 -10.817 2.158 840 H GLU 107 H GLU 107 5.708 -12.072 1.438 841 HA GLU 107 HA GLU 107 6.130 -11.818 4.086 842 1HB GLU 107 2HB GLU 107 6.638 -13.804 2.561 843 2HB GLU 107 1HB GLU 107 8.231 -13.088 2.353 844 1HG GLU 107 2HG GLU 107 8.160 -13.065 4.993 845 2HG GLU 107 1HG GLU 107 7.026 -14.387 4.722 846 H ARG 108 H ARG 108 8.373 -10.696 1.570 847 HA ARG 108 HA ARG 108 10.319 -9.701 3.401 848 1HB ARG 108 2HB ARG 108 10.596 -10.277 0.892 849 2HB ARG 108 1HB ARG 108 9.945 -8.671 0.598 850 1HG ARG 108 2HG ARG 108 11.928 -7.758 0.948 851 2HG ARG 108 1HG ARG 108 12.025 -8.496 2.548 852 1HD ARG 108 2HD ARG 108 12.686 -9.980 0.015 853 2HD ARG 108 1HD ARG 108 13.886 -9.071 0.933 854 HE ARG 108 HE ARG 108 12.740 -11.619 1.615 855 1HH1 ARG 108 1HH1 ARG 108 14.305 -8.760 2.862 856 2HH1 ARG 108 2HH1 ARG 108 14.914 -9.556 4.274 857 1HH2 ARG 108 1HH2 ARG 108 13.541 -12.670 3.470 858 2HH2 ARG 108 2HH2 ARG 108 14.480 -11.777 4.619 859 H PHE 109 H PHE 109 7.517 -8.384 1.777 860 HA PHE 109 HA PHE 109 7.848 -5.663 2.271 861 1HB PHE 109 2HB PHE 109 6.066 -6.049 0.869 862 2HB PHE 109 1HB PHE 109 5.553 -7.476 1.741 863 HD1 PHE 109 1HD PHE 109 5.417 -3.809 1.662 864 HD2 PHE 109 2HD PHE 109 3.918 -7.357 3.472 865 HE1 PHE 109 1HE PHE 109 3.614 -2.506 2.708 866 HE2 PHE 109 2HE PHE 109 2.111 -6.059 4.521 867 HZ PHE 109 HZ PHE 109 1.955 -3.632 4.139 868 H LEU 110 H LEU 110 7.092 -8.262 4.408 869 HA LEU 110 HA LEU 110 5.792 -6.900 6.481 870 1HB LEU 110 2HB LEU 110 6.453 -9.462 6.001 871 2HB LEU 110 1HB LEU 110 7.629 -9.060 7.236 872 HG LEU 110 HG LEU 110 4.670 -8.619 7.583 873 1HD1 LEU 110 1HD1 LEU 110 4.719 -10.665 8.958 874 2HD1 LEU 110 2HD1 LEU 110 6.363 -10.973 8.398 875 3HD1 LEU 110 3HD1 LEU 110 5.025 -10.976 7.250 876 1HD2 LEU 110 1HD2 LEU 110 7.059 -8.064 9.158 877 2HD2 LEU 110 2HD2 LEU 110 5.850 -8.997 10.039 878 3HD2 LEU 110 3HD2 LEU 110 5.419 -7.441 9.329 879 H LEU 111 H LEU 111 9.233 -7.645 6.034 880 HA LEU 111 HA LEU 111 10.193 -6.522 8.390 881 1HB LEU 111 2HB LEU 111 11.554 -6.662 5.700 882 2HB LEU 111 1HB LEU 111 12.359 -6.357 7.227 883 HG LEU 111 HG LEU 111 11.177 -8.690 7.833 884 1HD1 LEU 111 1HD1 LEU 111 11.230 -8.520 4.885 885 2HD1 LEU 111 2HD1 LEU 111 10.174 -9.443 5.954 886 3HD1 LEU 111 3HD1 LEU 111 11.801 -10.027 5.603 887 1HD2 LEU 111 1HD2 LEU 111 13.699 -7.822 7.581 888 2HD2 LEU 111 2HD2 LEU 111 13.654 -8.982 6.254 889 3HD2 LEU 111 3HD2 LEU 111 13.284 -9.506 7.897 890 H THR 112 H THR 112 10.157 -5.012 5.156 891 HA THR 112 HA THR 112 11.058 -2.502 5.901 892 HB THR 112 HB THR 112 9.103 -3.234 3.714 893 HG1 THR 112 1HG THR 112 11.918 -2.901 3.685 894 1HG2 THR 112 1HG2 THR 112 10.464 -1.144 2.720 895 2HG2 THR 112 2HG2 THR 112 10.349 -0.667 4.414 896 3HG2 THR 112 3HG2 THR 112 8.885 -1.014 3.494 897 H ILE 113 H ILE 113 7.741 -3.732 5.816 898 HA ILE 113 HA ILE 113 6.226 -1.538 6.244 899 HB ILE 113 HB ILE 113 5.998 -4.339 7.191 900 1HG1 ILE 113 2HG1 ILE 113 5.226 -3.623 4.969 901 2HG1 ILE 113 1HG1 ILE 113 3.894 -4.219 5.954 902 1HG2 ILE 113 1HG2 ILE 113 5.279 -3.318 9.203 903 2HG2 ILE 113 2HG2 ILE 113 3.820 -3.775 8.326 904 3HG2 ILE 113 3HG2 ILE 113 4.353 -2.094 8.333 905 1HD1 ILE 113 1HD1 ILE 113 4.091 -1.432 6.378 906 2HD1 ILE 113 2HD1 ILE 113 2.802 -2.338 5.585 907 3HD1 ILE 113 3HD1 ILE 113 4.158 -1.723 4.640 908 H LYS 114 H LYS 114 7.796 -3.339 8.909 909 HA LYS 114 HA LYS 114 6.989 -1.776 11.018 910 1HB LYS 114 2HB LYS 114 8.488 -3.895 10.961 911 2HB LYS 114 1HB LYS 114 9.817 -2.751 10.861 912 1HG LYS 114 2HG LYS 114 7.778 -2.439 13.011 913 2HG LYS 114 1HG LYS 114 9.031 -3.672 13.168 914 1HD LYS 114 2HD LYS 114 10.421 -2.103 13.911 915 2HD LYS 114 1HD LYS 114 10.335 -1.324 12.329 916 1HE LYS 114 2HE LYS 114 9.715 0.370 13.796 917 2HE LYS 114 1HE LYS 114 8.170 -0.251 13.216 918 1HZ LYS 114 1HZ LYS 114 7.660 -1.126 15.225 919 2HZ LYS 114 2HZ LYS 114 8.670 0.117 15.770 920 3HZ LYS 114 3HZ LYS 114 9.266 -1.460 15.635 921 H HIS 115 H HIS 115 10.084 -1.447 9.321 922 HA HIS 115 HA HIS 115 10.821 1.006 10.385 923 1HB HIS 115 2HB HIS 115 11.562 -0.538 7.973 924 2HB HIS 115 1HB HIS 115 12.006 1.164 7.997 925 HD1 HIS 115 1HD HIS 115 14.521 0.496 8.124 926 HD2 HIS 115 2HD HIS 115 12.234 -0.759 11.358 927 HE1 HIS 115 1HE HIS 115 16.175 -0.189 9.890 928 HE2 HIS 115 2HE HIS 115 14.768 -0.854 11.872 929 H ALA 116 H ALA 116 8.478 0.285 7.923 930 HA ALA 116 HA ALA 116 8.414 2.831 6.674 931 1HB ALA 116 1HB ALA 116 6.054 0.986 6.880 932 2HB ALA 116 2HB ALA 116 7.428 0.631 5.833 933 3HB ALA 116 3HB ALA 116 6.480 2.095 5.576 934 H PHE 117 H PHE 117 6.746 1.451 9.451 935 HA PHE 117 HA PHE 117 4.982 3.666 9.820 936 1HB PHE 117 2HB PHE 117 5.675 1.198 11.355 937 2HB PHE 117 1HB PHE 117 4.800 2.489 12.170 938 HD1 PHE 117 1HD PHE 117 2.516 2.855 11.774 939 HD2 PHE 117 2HD PHE 117 4.674 0.112 9.343 940 HE1 PHE 117 1HE PHE 117 0.401 2.046 10.823 941 HE2 PHE 117 2HE PHE 117 2.562 -0.703 8.385 942 HZ PHE 117 HZ PHE 117 0.420 0.269 9.124 943 H GLU 118 H GLU 118 8.264 3.099 10.643 944 HA GLU 118 HA GLU 118 8.170 5.230 12.671 945 1HB GLU 118 2HB GLU 118 10.242 3.088 12.198 946 2HB GLU 118 1HB GLU 118 10.389 4.372 13.391 947 1HG GLU 118 2HG GLU 118 8.071 3.439 14.200 948 2HG GLU 118 1HG GLU 118 8.627 1.979 13.382 949 H GLU 119 H GLU 119 9.536 4.310 9.604 950 HA GLU 119 HA GLU 119 11.529 6.361 9.555 951 1HB GLU 119 2HB GLU 119 10.384 4.572 7.427 952 2HB GLU 119 1HB GLU 119 11.614 5.780 7.088 953 1HG GLU 119 2HG GLU 119 12.380 4.156 9.334 954 2HG GLU 119 1HG GLU 119 11.999 3.154 7.934 955 H TYR 120 H TYR 120 8.224 6.544 9.359 956 HA TYR 120 HA TYR 120 8.400 9.091 7.911 957 1HB TYR 120 2HB TYR 120 7.025 6.782 7.036 958 2HB TYR 120 1HB TYR 120 5.798 7.928 7.561 959 HD1 TYR 120 1HD TYR 120 5.762 10.226 6.532 960 HD2 TYR 120 2HD TYR 120 8.194 7.086 5.007 961 HE1 TYR 120 1HE TYR 120 5.994 11.444 4.408 962 HE2 TYR 120 2HE TYR 120 8.432 8.295 2.879 963 HH TYR 120 HH TYR 120 7.880 11.415 2.465 964 H SER 121 H SER 121 8.520 8.724 10.707 965 HA SER 121 HA SER 121 5.969 9.111 11.913 966 1HB SER 121 2HB SER 121 7.394 9.888 13.891 967 2HB SER 121 1HB SER 121 7.664 8.240 13.323 968 HG SER 121 HG SER 121 9.231 10.521 12.686 Start of MODEL 13 1 1H MET 1 1HT MET 1 -2.790 2.175 14.942 2 2H MET 1 2HT MET 1 -1.451 2.376 15.997 3 3H MET 1 3HT MET 1 -3.049 2.598 16.582 4 HA MET 1 HA MET 1 -1.900 0.472 17.153 5 1HB MET 1 2HB MET 1 -4.607 1.067 16.235 6 2HB MET 1 1HB MET 1 -4.221 -0.644 16.115 7 1HG MET 1 2HG MET 1 -3.936 -0.879 18.391 8 2HG MET 1 1HG MET 1 -3.630 0.840 18.634 9 1HE MET 1 1HE MET 1 -5.946 -0.422 20.774 10 2HE MET 1 2HE MET 1 -5.496 -1.691 19.634 11 3HE MET 1 3HE MET 1 -7.187 -1.221 19.809 12 H LYS 2 H LYS 2 -0.761 1.206 14.537 13 HA LYS 2 HA LYS 2 0.231 0.192 12.762 14 1HB LYS 2 2HB LYS 2 -0.096 -1.887 14.754 15 2HB LYS 2 1HB LYS 2 -0.078 -2.532 13.118 16 1HG LYS 2 2HG LYS 2 2.149 -2.587 13.664 17 2HG LYS 2 1HG LYS 2 2.027 -1.032 12.839 18 1HD LYS 2 2HD LYS 2 2.316 0.166 14.762 19 2HD LYS 2 1HD LYS 2 1.585 -1.080 15.776 20 1HE LYS 2 2HE LYS 2 3.541 -2.334 15.862 21 2HE LYS 2 1HE LYS 2 4.210 -1.566 14.421 22 1HZ LYS 2 1HZ LYS 2 5.138 -0.915 16.704 23 2HZ LYS 2 2HZ LYS 2 3.728 0.006 16.869 24 3HZ LYS 2 3HZ LYS 2 4.799 0.319 15.599 25 H ARG 3 H ARG 3 -1.034 0.722 11.054 26 HA ARG 3 HA ARG 3 -2.857 -1.338 10.088 27 1HB ARG 3 2HB ARG 3 -3.741 1.541 10.074 28 2HB ARG 3 1HB ARG 3 -4.699 0.106 9.737 29 1HG ARG 3 2HG ARG 3 -5.434 0.598 11.834 30 2HG ARG 3 1HG ARG 3 -4.097 -0.483 12.226 31 1HD ARG 3 2HD ARG 3 -2.960 1.139 13.256 32 2HD ARG 3 1HD ARG 3 -3.245 2.281 11.943 33 HE ARG 3 HE ARG 3 -4.711 2.065 14.401 34 1HH1 ARG 3 1HH1 ARG 3 -4.872 3.092 11.069 35 2HH1 ARG 3 2HH1 ARG 3 -6.141 4.236 11.352 36 1HH2 ARG 3 1HH2 ARG 3 -6.380 3.569 14.775 37 2HH2 ARG 3 2HH2 ARG 3 -6.997 4.507 13.456 38 H VAL 4 H VAL 4 -2.486 -1.723 7.994 39 HA VAL 4 HA VAL 4 -1.264 0.429 6.387 40 HB VAL 4 HB VAL 4 -0.729 -2.524 6.039 41 1HG1 VAL 4 1HG1 VAL 4 1.291 -1.381 4.788 42 2HG1 VAL 4 2HG1 VAL 4 0.146 -0.048 4.643 43 3HG1 VAL 4 3HG1 VAL 4 -0.260 -1.633 3.985 44 1HG2 VAL 4 1HG2 VAL 4 1.113 -0.459 7.241 45 2HG2 VAL 4 2HG2 VAL 4 1.411 -2.189 7.068 46 3HG2 VAL 4 3HG2 VAL 4 0.171 -1.616 8.183 47 H LEU 5 H LEU 5 -1.805 0.471 4.152 48 HA LEU 5 HA LEU 5 -4.415 -0.748 3.591 49 1HB LEU 5 2HB LEU 5 -4.311 1.697 3.482 50 2HB LEU 5 1HB LEU 5 -3.031 1.599 2.289 51 HG LEU 5 HG LEU 5 -4.655 0.416 0.772 52 1HD1 LEU 5 1HD1 LEU 5 -6.825 0.085 1.310 53 2HD1 LEU 5 2HD1 LEU 5 -6.907 1.522 2.329 54 3HD1 LEU 5 3HD1 LEU 5 -6.168 0.045 2.946 55 1HD2 LEU 5 1HD2 LEU 5 -4.935 3.247 1.668 56 2HD2 LEU 5 2HD2 LEU 5 -6.047 2.606 0.458 57 3HD2 LEU 5 3HD2 LEU 5 -4.311 2.602 0.150 58 H VAL 6 H VAL 6 -4.699 -2.133 1.916 59 HA VAL 6 HA VAL 6 -2.354 -2.650 0.201 60 HB VAL 6 HB VAL 6 -4.395 -4.721 0.982 61 1HG1 VAL 6 1HG1 VAL 6 -3.277 -5.265 -1.050 62 2HG1 VAL 6 2HG1 VAL 6 -2.572 -6.259 0.225 63 3HG1 VAL 6 3HG1 VAL 6 -1.707 -4.842 -0.368 64 1HG2 VAL 6 1HG2 VAL 6 -2.941 -5.530 2.659 65 2HG2 VAL 6 2HG2 VAL 6 -3.072 -3.792 2.929 66 3HG2 VAL 6 3HG2 VAL 6 -1.637 -4.457 2.150 67 H VAL 7 H VAL 7 -3.090 -1.308 -1.466 68 HA VAL 7 HA VAL 7 -5.705 -1.688 -2.609 69 HB VAL 7 HB VAL 7 -3.379 -0.196 -3.835 70 1HG1 VAL 7 1HG1 VAL 7 -5.452 -0.806 -5.200 71 2HG1 VAL 7 2HG1 VAL 7 -4.948 0.885 -5.188 72 3HG1 VAL 7 3HG1 VAL 7 -6.304 0.362 -4.189 73 1HG2 VAL 7 1HG2 VAL 7 -5.265 0.565 -1.656 74 2HG2 VAL 7 2HG2 VAL 7 -4.752 1.795 -2.811 75 3HG2 VAL 7 3HG2 VAL 7 -3.552 0.936 -1.845 76 H ASP 8 H ASP 8 -6.200 -3.367 -3.842 77 HA ASP 8 HA ASP 8 -4.451 -4.161 -6.002 78 1HB ASP 8 2HB ASP 8 -3.536 -5.515 -4.204 79 2HB ASP 8 1HB ASP 8 -5.143 -6.082 -3.765 80 H ASP 9 H ASP 9 -5.520 -5.805 -7.405 81 HA ASP 9 HA ASP 9 -8.326 -5.168 -7.643 82 1HB ASP 9 2HB ASP 9 -6.892 -5.180 -9.635 83 2HB ASP 9 1HB ASP 9 -6.548 -6.887 -9.387 84 H GLU 10 H GLU 10 -8.050 -6.535 -5.348 85 HA GLU 10 HA GLU 10 -9.073 -9.227 -5.970 86 1HB GLU 10 2HB GLU 10 -6.876 -9.047 -4.680 87 2HB GLU 10 1HB GLU 10 -7.829 -8.407 -3.350 88 1HG GLU 10 2HG GLU 10 -8.793 -10.412 -2.886 89 2HG GLU 10 1HG GLU 10 -8.699 -10.970 -4.556 90 H GLU 11 H GLU 11 -10.578 -10.073 -4.221 91 HA GLU 11 HA GLU 11 -12.658 -8.115 -3.825 92 1HB GLU 11 2HB GLU 11 -12.430 -11.043 -3.750 93 2HB GLU 11 1HB GLU 11 -13.540 -10.381 -2.559 94 1HG GLU 11 2HG GLU 11 -14.943 -10.712 -4.330 95 2HG GLU 11 1HG GLU 11 -14.465 -9.035 -4.594 96 H SER 12 H SER 12 -11.702 -10.581 -1.466 97 HA SER 12 HA SER 12 -11.718 -8.484 0.597 98 1HB SER 12 2HB SER 12 -12.003 -11.464 1.026 99 2HB SER 12 1HB SER 12 -12.319 -10.179 2.190 100 HG SER 12 HG SER 12 -14.253 -10.031 1.410 101 H ILE 13 H ILE 13 -9.761 -7.842 1.200 102 HA ILE 13 HA ILE 13 -7.550 -7.764 1.625 103 HB ILE 13 HB ILE 13 -8.002 -10.532 2.623 104 1HG1 ILE 13 2HG1 ILE 13 -9.724 -8.916 3.436 105 2HG1 ILE 13 1HG1 ILE 13 -8.749 -9.627 4.717 106 1HG2 ILE 13 1HG2 ILE 13 -5.715 -10.141 2.757 107 2HG2 ILE 13 2HG2 ILE 13 -6.298 -9.717 4.368 108 3HG2 ILE 13 3HG2 ILE 13 -5.943 -8.448 3.195 109 1HD1 ILE 13 1HD1 ILE 13 -7.315 -7.513 4.523 110 2HD1 ILE 13 2HD1 ILE 13 -8.897 -7.384 5.289 111 3HD1 ILE 13 3HD1 ILE 13 -8.677 -6.845 3.625 112 H THR 14 H THR 14 -5.421 -8.737 1.270 113 HA THR 14 HA THR 14 -5.327 -10.041 -1.329 114 HB THR 14 HB THR 14 -2.897 -9.486 -1.235 115 HG1 THR 14 1HG THR 14 -3.553 -8.084 1.135 116 1HG2 THR 14 1HG2 THR 14 -3.091 -7.205 -1.663 117 2HG2 THR 14 2HG2 THR 14 -4.448 -7.018 -0.552 118 3HG2 THR 14 3HG2 THR 14 -4.671 -7.864 -2.084 119 H SER 15 H SER 15 -3.610 -11.751 -1.650 120 HA SER 15 HA SER 15 -4.004 -13.794 0.355 121 1HB SER 15 2HB SER 15 -4.113 -14.161 -2.167 122 2HB SER 15 1HB SER 15 -2.353 -14.051 -2.157 123 HG SER 15 HG SER 15 -2.475 -15.764 -0.505 124 H SER 16 H SER 16 -2.556 -14.593 1.752 125 HA SER 16 HA SER 16 -0.573 -15.035 2.800 126 1HB SER 16 2HB SER 16 0.907 -13.262 0.870 127 2HB SER 16 1HB SER 16 1.513 -14.639 1.790 128 HG SER 16 HG SER 16 0.043 -14.577 -0.577 129 H LEU 17 H LEU 17 -1.900 -11.973 2.313 130 HA LEU 17 HA LEU 17 -0.080 -10.629 4.140 131 1HB LEU 17 2HB LEU 17 -1.902 -9.818 2.095 132 2HB LEU 17 1HB LEU 17 -2.401 -9.063 3.590 133 HG LEU 17 HG LEU 17 -0.380 -8.232 1.790 134 1HD1 LEU 17 1HD1 LEU 17 -0.725 -6.254 2.791 135 2HD1 LEU 17 2HD1 LEU 17 -0.562 -6.921 4.415 136 3HD1 LEU 17 3HD1 LEU 17 -2.081 -7.099 3.537 137 1HD2 LEU 17 1HD2 LEU 17 1.554 -7.953 3.230 138 2HD2 LEU 17 2HD2 LEU 17 1.197 -9.665 3.011 139 3HD2 LEU 17 3HD2 LEU 17 0.755 -8.859 4.515 140 H SER 18 H SER 18 -3.536 -11.444 3.984 141 HA SER 18 HA SER 18 -4.419 -10.520 6.394 142 1HB SER 18 2HB SER 18 -5.482 -12.116 4.450 143 2HB SER 18 1HB SER 18 -5.367 -13.247 5.799 144 HG SER 18 HG SER 18 -7.356 -12.006 5.690 145 H ALA 19 H ALA 19 -3.047 -13.766 5.852 146 HA ALA 19 HA ALA 19 -3.068 -14.661 8.478 147 1HB ALA 19 1HB ALA 19 -2.309 -15.737 6.139 148 2HB ALA 19 2HB ALA 19 -1.894 -16.434 7.704 149 3HB ALA 19 3HB ALA 19 -0.726 -15.427 6.850 150 H ILE 20 H ILE 20 -0.705 -12.683 6.786 151 HA ILE 20 HA ILE 20 1.251 -12.667 8.840 152 HB ILE 20 HB ILE 20 0.766 -10.833 6.496 153 1HG1 ILE 20 2HG1 ILE 20 2.892 -12.914 7.034 154 2HG1 ILE 20 1HG1 ILE 20 1.485 -13.140 5.999 155 1HG2 ILE 20 1HG2 ILE 20 2.753 -10.635 8.698 156 2HG2 ILE 20 2HG2 ILE 20 1.920 -9.361 7.806 157 3HG2 ILE 20 3HG2 ILE 20 3.265 -10.226 7.060 158 1HD1 ILE 20 1HD1 ILE 20 3.668 -12.618 4.852 159 2HD1 ILE 20 2HD1 ILE 20 3.515 -10.989 5.509 160 3HD1 ILE 20 3HD1 ILE 20 2.288 -11.613 4.406 161 H LEU 21 H LEU 21 -0.680 -9.892 7.706 162 HA LEU 21 HA LEU 21 -0.258 -8.174 9.776 163 1HB LEU 21 2HB LEU 21 -2.884 -8.575 8.357 164 2HB LEU 21 1HB LEU 21 -2.377 -7.126 9.206 165 HG LEU 21 HG LEU 21 -0.458 -7.916 7.173 166 1HD1 LEU 21 1HD1 LEU 21 -1.820 -8.477 5.521 167 2HD1 LEU 21 2HD1 LEU 21 -2.434 -6.825 5.555 168 3HD1 LEU 21 3HD1 LEU 21 -3.250 -8.088 6.475 169 1HD2 LEU 21 1HD2 LEU 21 -0.560 -5.746 8.349 170 2HD2 LEU 21 2HD2 LEU 21 -2.085 -5.406 7.531 171 3HD2 LEU 21 3HD2 LEU 21 -0.601 -5.587 6.594 172 H GLU 22 H GLU 22 -2.406 -10.944 9.747 173 HA GLU 22 HA GLU 22 -3.750 -10.289 12.181 174 1HB GLU 22 2HB GLU 22 -3.679 -12.598 10.338 175 2HB GLU 22 1HB GLU 22 -4.162 -12.924 11.996 176 1HG GLU 22 2HG GLU 22 -6.197 -12.187 11.571 177 2HG GLU 22 1HG GLU 22 -5.549 -10.613 11.109 178 H GLU 23 H GLU 23 -0.804 -11.944 11.356 179 HA GLU 23 HA GLU 23 -0.502 -13.156 13.957 180 1HB GLU 23 2HB GLU 23 0.439 -14.412 12.199 181 2HB GLU 23 1HB GLU 23 1.203 -13.000 11.483 182 1HG GLU 23 2HG GLU 23 3.039 -13.229 12.714 183 2HG GLU 23 1HG GLU 23 2.122 -13.542 14.187 184 H GLU 24 H GLU 24 0.667 -10.336 12.222 185 HA GLU 24 HA GLU 24 2.527 -9.593 14.291 186 1HB GLU 24 2HB GLU 24 1.689 -8.463 11.675 187 2HB GLU 24 1HB GLU 24 2.425 -7.377 12.846 188 1HG GLU 24 2HG GLU 24 3.732 -9.967 12.123 189 2HG GLU 24 1HG GLU 24 3.919 -8.538 11.107 190 H GLY 25 H GLY 25 -0.748 -8.805 13.372 191 1HA GLY 25 2HA GLY 25 -2.331 -8.024 14.971 192 2HA GLY 25 1HA GLY 25 -1.011 -7.275 15.852 193 H TYR 26 H TYR 26 -1.334 -7.000 12.396 194 HA TYR 26 HA TYR 26 -1.497 -4.116 12.635 195 1HB TYR 26 2HB TYR 26 -1.056 -6.026 10.358 196 2HB TYR 26 1HB TYR 26 -1.434 -4.337 10.046 197 HD1 TYR 26 1HD TYR 26 0.115 -2.562 10.858 198 HD2 TYR 26 2HD TYR 26 1.113 -6.691 11.050 199 HE1 TYR 26 1HE TYR 26 2.484 -1.968 11.134 200 HE2 TYR 26 2HE TYR 26 3.486 -6.111 11.328 201 HH TYR 26 HH TYR 26 4.536 -2.950 12.028 202 H HIS 27 H HIS 27 -2.878 -3.253 10.555 203 HA HIS 27 HA HIS 27 -5.550 -4.443 10.657 204 1HB HIS 27 2HB HIS 27 -5.009 -2.296 12.216 205 2HB HIS 27 1HB HIS 27 -5.464 -1.482 10.724 206 HD1 HIS 27 1HD HIS 27 -7.021 -4.611 12.205 207 HD2 HIS 27 2HD HIS 27 -7.998 -0.675 11.300 208 HE1 HIS 27 1HE HIS 27 -9.489 -4.413 12.645 209 HE2 HIS 27 2HE HIS 27 -10.073 -2.047 12.005 210 HA PRO 28 HA PRO 28 -4.419 -3.388 6.362 211 1HB PRO 28 2HB PRO 28 -5.433 -5.595 5.214 212 2HB PRO 28 1HB PRO 28 -3.857 -5.587 6.013 213 1HG PRO 28 2HG PRO 28 -6.483 -6.595 7.013 214 2HG PRO 28 1HG PRO 28 -4.868 -7.294 7.207 215 1HD PRO 28 2HD PRO 28 -6.168 -5.813 9.133 216 2HD PRO 28 1HD PRO 28 -4.408 -6.007 9.039 217 H ASP 29 H ASP 29 -5.633 -2.156 5.100 218 HA ASP 29 HA ASP 29 -8.528 -2.314 5.408 219 1HB ASP 29 2HB ASP 29 -6.737 -0.114 5.336 220 2HB ASP 29 1HB ASP 29 -7.866 0.029 3.995 221 H THR 30 H THR 30 -6.246 -3.273 3.372 222 HA THR 30 HA THR 30 -6.101 -3.329 1.016 223 HB THR 30 HB THR 30 -7.138 -5.420 0.418 224 HG1 THR 30 1HG THR 30 -9.188 -5.048 1.358 225 1HG2 THR 30 1HG2 THR 30 -5.510 -6.320 1.620 226 2HG2 THR 30 2HG2 THR 30 -6.692 -6.516 2.913 227 3HG2 THR 30 3HG2 THR 30 -5.657 -5.090 2.875 228 H ALA 31 H ALA 31 -6.735 -2.300 -0.696 229 HA ALA 31 HA ALA 31 -9.598 -1.694 -1.044 230 1HB ALA 31 1HB ALA 31 -8.692 0.400 -0.971 231 2HB ALA 31 2HB ALA 31 -8.502 0.070 -2.694 232 3HB ALA 31 3HB ALA 31 -7.133 -0.132 -1.600 233 H LYS 32 H LYS 32 -10.422 -1.744 -3.243 234 HA LYS 32 HA LYS 32 -9.370 -3.996 -4.699 235 1HB LYS 32 2HB LYS 32 -11.621 -2.234 -5.632 236 2HB LYS 32 1HB LYS 32 -11.353 -3.939 -5.970 237 1HG LYS 32 2HG LYS 32 -11.841 -4.476 -3.635 238 2HG LYS 32 1HG LYS 32 -12.123 -2.766 -3.308 239 1HD LYS 32 2HD LYS 32 -13.647 -4.267 -5.421 240 2HD LYS 32 1HD LYS 32 -14.173 -4.221 -3.736 241 1HE LYS 32 2HE LYS 32 -15.286 -2.375 -4.355 242 2HE LYS 32 1HE LYS 32 -13.714 -1.586 -4.233 243 1HZ LYS 32 1HZ LYS 32 -14.807 -1.092 -6.334 244 2HZ LYS 32 2HZ LYS 32 -14.873 -2.740 -6.713 245 3HZ LYS 32 3HZ LYS 32 -13.377 -1.960 -6.592 246 H THR 33 H THR 33 -9.324 -0.536 -4.985 247 HA THR 33 HA THR 33 -7.274 -0.616 -6.952 248 HB THR 33 HB THR 33 -8.820 0.875 -8.533 249 HG1 THR 33 1HG THR 33 -10.891 0.408 -8.420 250 1HG2 THR 33 1HG2 THR 33 -7.654 -1.452 -8.914 251 2HG2 THR 33 2HG2 THR 33 -8.862 -0.827 -10.037 252 3HG2 THR 33 3HG2 THR 33 -9.318 -2.032 -8.832 253 H LEU 34 H LEU 34 -7.030 1.778 -7.882 254 HA LEU 34 HA LEU 34 -6.409 3.406 -5.706 255 1HB LEU 34 2HB LEU 34 -6.920 4.290 -8.548 256 2HB LEU 34 1HB LEU 34 -6.009 5.171 -7.334 257 HG LEU 34 HG LEU 34 -5.160 2.429 -8.219 258 1HD1 LEU 34 1HD1 LEU 34 -3.812 4.753 -9.423 259 2HD1 LEU 34 2HD1 LEU 34 -5.426 4.395 -10.038 260 3HD1 LEU 34 3HD1 LEU 34 -4.164 3.163 -10.100 261 1HD2 LEU 34 1HD2 LEU 34 -4.294 3.985 -6.184 262 2HD2 LEU 34 2HD2 LEU 34 -3.224 4.518 -7.481 263 3HD2 LEU 34 3HD2 LEU 34 -3.286 2.813 -7.034 264 H ARG 35 H ARG 35 -9.322 3.177 -7.636 265 HA ARG 35 HA ARG 35 -10.557 5.566 -6.791 266 1HB ARG 35 2HB ARG 35 -11.513 2.985 -7.954 267 2HB ARG 35 1HB ARG 35 -12.700 4.080 -7.262 268 1HG ARG 35 2HG ARG 35 -12.738 5.152 -9.197 269 2HG ARG 35 1HG ARG 35 -11.086 5.682 -8.878 270 1HD ARG 35 2HD ARG 35 -10.299 4.410 -10.523 271 2HD ARG 35 1HD ARG 35 -11.094 2.981 -9.864 272 HE ARG 35 HE ARG 35 -12.865 4.732 -11.298 273 1HH1 ARG 35 1HH1 ARG 35 -10.612 2.083 -11.583 274 2HH1 ARG 35 2HH1 ARG 35 -11.301 1.493 -13.057 275 1HH2 ARG 35 1HH2 ARG 35 -13.771 3.958 -13.238 276 2HH2 ARG 35 2HH2 ARG 35 -13.092 2.559 -13.999 277 H GLU 36 H GLU 36 -11.007 2.220 -5.650 278 HA GLU 36 HA GLU 36 -12.599 2.920 -3.422 279 1HB GLU 36 2HB GLU 36 -12.219 0.607 -4.588 280 2HB GLU 36 1HB GLU 36 -10.879 0.461 -3.458 281 1HG GLU 36 2HG GLU 36 -13.743 0.953 -2.675 282 2HG GLU 36 1HG GLU 36 -12.945 -0.619 -2.670 283 H ALA 37 H ALA 37 -9.161 2.765 -3.965 284 HA ALA 37 HA ALA 37 -8.400 2.791 -1.212 285 1HB ALA 37 1HB ALA 37 -6.605 3.841 -3.351 286 2HB ALA 37 2HB ALA 37 -7.034 2.130 -3.353 287 3HB ALA 37 3HB ALA 37 -6.225 2.833 -1.953 288 H GLU 38 H GLU 38 -9.239 5.220 -3.570 289 HA GLU 38 HA GLU 38 -8.125 7.433 -2.155 290 1HB GLU 38 2HB GLU 38 -10.123 7.160 -4.375 291 2HB GLU 38 1HB GLU 38 -9.829 8.718 -3.616 292 1HG GLU 38 2HG GLU 38 -7.598 8.774 -4.343 293 2HG GLU 38 1HG GLU 38 -7.609 7.061 -4.761 294 H LYS 39 H LYS 39 -11.284 5.885 -2.305 295 HA LYS 39 HA LYS 39 -12.638 7.733 -0.644 296 1HB LYS 39 2HB LYS 39 -13.912 6.252 -2.053 297 2HB LYS 39 1HB LYS 39 -13.190 4.835 -1.304 298 1HG LYS 39 2HG LYS 39 -14.750 6.745 0.372 299 2HG LYS 39 1HG LYS 39 -15.595 5.586 -0.657 300 1HD LYS 39 2HD LYS 39 -13.894 3.898 0.462 301 2HD LYS 39 1HD LYS 39 -13.887 5.120 1.735 302 1HE LYS 39 2HE LYS 39 -15.811 4.329 2.509 303 2HE LYS 39 1HE LYS 39 -16.583 4.680 0.963 304 1HZ LYS 39 1HZ LYS 39 -14.971 2.266 1.064 305 2HZ LYS 39 2HZ LYS 39 -16.466 2.542 0.320 306 3HZ LYS 39 3HZ LYS 39 -16.391 2.237 1.981 307 H LYS 40 H LYS 40 -10.686 4.887 -0.023 308 HA LYS 40 HA LYS 40 -11.352 4.747 2.768 309 1HB LYS 40 2HB LYS 40 -9.129 3.445 1.191 310 2HB LYS 40 1HB LYS 40 -9.513 3.086 2.869 311 1HG LYS 40 2HG LYS 40 -11.910 2.814 1.420 312 2HG LYS 40 1HG LYS 40 -10.651 2.004 0.485 313 1HD LYS 40 2HD LYS 40 -10.057 0.629 2.355 314 2HD LYS 40 1HD LYS 40 -11.114 1.546 3.429 315 1HE LYS 40 2HE LYS 40 -12.938 0.818 1.656 316 2HE LYS 40 1HE LYS 40 -11.791 -0.489 1.370 317 1HZ LYS 40 1HZ LYS 40 -13.465 -1.055 3.045 318 2HZ LYS 40 2HZ LYS 40 -12.932 0.220 4.019 319 3HZ LYS 40 3HZ LYS 40 -11.902 -1.081 3.690 320 H ILE 41 H ILE 41 -8.775 6.149 0.825 321 HA ILE 41 HA ILE 41 -7.175 6.881 3.104 322 HB ILE 41 HB ILE 41 -6.989 7.796 0.228 323 1HG1 ILE 41 2HG1 ILE 41 -5.043 5.935 1.523 324 2HG1 ILE 41 1HG1 ILE 41 -6.597 5.290 1.005 325 1HG2 ILE 41 1HG2 ILE 41 -5.412 8.440 2.654 326 2HG2 ILE 41 2HG2 ILE 41 -5.768 9.426 1.235 327 3HG2 ILE 41 3HG2 ILE 41 -4.524 8.178 1.152 328 1HD1 ILE 41 1HD1 ILE 41 -6.029 6.423 -1.251 329 2HD1 ILE 41 2HD1 ILE 41 -5.249 4.901 -0.819 330 3HD1 ILE 41 3HD1 ILE 41 -4.377 6.423 -0.632 331 H LYS 42 H LYS 42 -9.764 8.287 1.289 332 HA LYS 42 HA LYS 42 -9.299 10.954 2.350 333 1HB LYS 42 2HB LYS 42 -11.230 9.785 0.389 334 2HB LYS 42 1HB LYS 42 -11.540 11.362 1.102 335 1HG LYS 42 2HG LYS 42 -9.739 12.341 0.053 336 2HG LYS 42 1HG LYS 42 -8.897 10.807 -0.163 337 1HD LYS 42 2HD LYS 42 -9.745 10.618 -2.210 338 2HD LYS 42 1HD LYS 42 -11.379 10.662 -1.548 339 1HE LYS 42 2HE LYS 42 -10.933 13.245 -1.454 340 2HE LYS 42 1HE LYS 42 -9.724 12.870 -2.682 341 1HZ LYS 42 1HZ LYS 42 -12.480 11.877 -2.975 342 2HZ LYS 42 2HZ LYS 42 -11.323 12.181 -4.170 343 3HZ LYS 42 3HZ LYS 42 -12.108 13.469 -3.403 344 H GLU 43 H GLU 43 -9.941 8.723 4.159 345 HA GLU 43 HA GLU 43 -12.140 10.015 5.556 346 1HB GLU 43 2HB GLU 43 -12.119 7.069 4.892 347 2HB GLU 43 1HB GLU 43 -13.230 7.832 6.020 348 1HG GLU 43 2HG GLU 43 -14.173 9.168 4.241 349 2HG GLU 43 1HG GLU 43 -13.011 8.502 3.095 350 H LEU 44 H LEU 44 -9.753 7.386 5.613 351 HA LEU 44 HA LEU 44 -9.350 7.920 8.480 352 1HB LEU 44 2HB LEU 44 -9.995 5.717 8.453 353 2HB LEU 44 1HB LEU 44 -9.327 5.425 6.860 354 HG LEU 44 HG LEU 44 -7.442 5.896 9.125 355 1HD1 LEU 44 1HD1 LEU 44 -8.809 3.265 8.591 356 2HD1 LEU 44 2HD1 LEU 44 -9.076 4.290 10.000 357 3HD1 LEU 44 3HD1 LEU 44 -7.496 3.554 9.733 358 1HD2 LEU 44 1HD2 LEU 44 -6.315 4.000 7.730 359 2HD2 LEU 44 2HD2 LEU 44 -6.300 5.662 7.140 360 3HD2 LEU 44 3HD2 LEU 44 -7.458 4.506 6.485 361 H PHE 45 H PHE 45 -7.161 7.816 9.277 362 HA PHE 45 HA PHE 45 -5.292 8.992 7.403 363 1HB PHE 45 2HB PHE 45 -5.710 9.755 9.827 364 2HB PHE 45 1HB PHE 45 -4.719 8.377 10.293 365 HD1 PHE 45 1HD PHE 45 -4.486 10.998 7.643 366 HD2 PHE 45 2HD PHE 45 -2.607 9.008 10.901 367 HE1 PHE 45 1HE PHE 45 -2.458 12.347 7.292 368 HE2 PHE 45 2HE PHE 45 -0.576 10.354 10.557 369 HZ PHE 45 HZ PHE 45 -0.500 12.026 8.751 370 H PHE 46 H PHE 46 -4.690 7.294 6.050 371 HA PHE 46 HA PHE 46 -3.695 4.817 7.083 372 1HB PHE 46 2HB PHE 46 -3.900 6.067 4.372 373 2HB PHE 46 1HB PHE 46 -2.878 4.651 4.597 374 HD1 PHE 46 1HD PHE 46 -5.801 5.431 3.260 375 HD2 PHE 46 2HD PHE 46 -4.333 2.990 6.418 376 HE1 PHE 46 1HE PHE 46 -7.774 3.979 3.047 377 HE2 PHE 46 2HE PHE 46 -6.305 1.532 6.215 378 HZ PHE 46 HZ PHE 46 -8.030 2.026 4.525 379 HA PRO 47 HA PRO 47 0.396 6.602 7.755 380 1HB PRO 47 2HB PRO 47 1.405 4.569 9.192 381 2HB PRO 47 1HB PRO 47 0.235 5.701 9.882 382 1HG PRO 47 2HG PRO 47 -0.203 2.944 8.805 383 2HG PRO 47 1HG PRO 47 -0.873 3.694 10.265 384 1HD PRO 47 2HD PRO 47 -2.240 3.474 7.902 385 2HD PRO 47 1HD PRO 47 -2.546 4.743 9.103 386 H VAL 48 H VAL 48 -0.420 3.522 6.345 387 HA VAL 48 HA VAL 48 1.923 3.678 4.628 388 HB VAL 48 HB VAL 48 1.262 1.042 5.893 389 1HG1 VAL 48 1HG1 VAL 48 3.313 2.127 4.106 390 2HG1 VAL 48 2HG1 VAL 48 2.733 0.474 4.298 391 3HG1 VAL 48 3HG1 VAL 48 3.941 1.119 5.410 392 1HG2 VAL 48 1HG2 VAL 48 1.687 2.489 7.752 393 2HG2 VAL 48 2HG2 VAL 48 3.112 3.160 6.960 394 3HG2 VAL 48 3HG2 VAL 48 3.108 1.477 7.493 395 H ILE 49 H ILE 49 1.494 3.100 2.603 396 HA ILE 49 HA ILE 49 -1.048 1.739 2.026 397 HB ILE 49 HB ILE 49 0.410 3.602 0.155 398 1HG1 ILE 49 2HG1 ILE 49 -0.287 4.836 2.168 399 2HG1 ILE 49 1HG1 ILE 49 -1.224 5.321 0.758 400 1HG2 ILE 49 1HG2 ILE 49 -2.063 2.007 0.049 401 2HG2 ILE 49 2HG2 ILE 49 -0.985 2.524 -1.248 402 3HG2 ILE 49 3HG2 ILE 49 -2.177 3.646 -0.591 403 1HD1 ILE 49 1HD1 ILE 49 -2.085 3.627 3.076 404 2HD1 ILE 49 2HD1 ILE 49 -2.990 3.691 1.564 405 3HD1 ILE 49 3HD1 ILE 49 -2.759 5.157 2.516 406 H VAL 50 H VAL 50 -1.058 0.203 0.324 407 HA VAL 50 HA VAL 50 1.531 -0.584 -0.779 408 HB VAL 50 HB VAL 50 -0.259 -2.451 0.783 409 1HG1 VAL 50 1HG1 VAL 50 1.914 -3.002 -1.195 410 2HG1 VAL 50 2HG1 VAL 50 0.359 -3.807 -0.984 411 3HG1 VAL 50 3HG1 VAL 50 1.664 -4.095 0.166 412 1HG2 VAL 50 1HG2 VAL 50 2.647 -2.283 1.268 413 2HG2 VAL 50 2HG2 VAL 50 1.314 -2.482 2.404 414 3HG2 VAL 50 3HG2 VAL 50 1.689 -0.887 1.757 415 H LEU 51 H LEU 51 0.992 -0.182 -2.847 416 HA LEU 51 HA LEU 51 -1.547 -1.077 -3.924 417 1HB LEU 51 2HB LEU 51 -0.609 1.083 -4.621 418 2HB LEU 51 1HB LEU 51 0.792 0.263 -5.281 419 HG LEU 51 HG LEU 51 -1.027 -1.007 -6.712 420 1HD1 LEU 51 1HD1 LEU 51 -2.793 0.721 -7.345 421 2HD1 LEU 51 2HD1 LEU 51 -2.407 1.497 -5.809 422 3HD1 LEU 51 3HD1 LEU 51 -3.019 -0.157 -5.832 423 1HD2 LEU 51 1HD2 LEU 51 0.663 0.190 -7.807 424 2HD2 LEU 51 2HD2 LEU 51 0.104 1.735 -7.168 425 3HD2 LEU 51 3HD2 LEU 51 -0.840 0.896 -8.398 426 H ASP 52 H ASP 52 -1.784 -2.571 -5.587 427 HA ASP 52 HA ASP 52 0.512 -4.257 -6.252 428 1HB ASP 52 2HB ASP 52 -1.150 -5.077 -4.285 429 2HB ASP 52 1HB ASP 52 -2.008 -5.713 -5.686 430 H VAL 53 H VAL 53 0.598 -3.992 -8.388 431 HA VAL 53 HA VAL 53 -1.723 -3.517 -9.988 432 HB VAL 53 HB VAL 53 -0.209 -3.462 -11.884 433 1HG1 VAL 53 1HG1 VAL 53 0.408 -1.420 -11.278 434 2HG1 VAL 53 2HG1 VAL 53 1.617 -2.065 -10.168 435 3HG1 VAL 53 3HG1 VAL 53 -0.041 -1.814 -9.620 436 1HG2 VAL 53 1HG2 VAL 53 1.374 -5.084 -11.777 437 2HG2 VAL 53 2HG2 VAL 53 1.571 -4.932 -10.032 438 3HG2 VAL 53 3HG2 VAL 53 2.332 -3.763 -11.110 439 H TRP 54 H TRP 54 -2.596 -5.700 -8.988 440 HA TRP 54 HA TRP 54 -1.695 -8.124 -10.179 441 1HB TRP 54 2HB TRP 54 -2.907 -8.202 -8.088 442 2HB TRP 54 1HB TRP 54 -4.301 -7.411 -8.814 443 HD1 TRP 54 HD TRP 54 -6.171 -9.148 -8.966 444 HE1 TRP 54 1HE TRP 54 -6.358 -11.600 -9.723 445 HE3 TRP 54 3HE TRP 54 -1.237 -10.079 -9.930 446 HZ2 TRP 54 2HZ TRP 54 -4.641 -13.658 -10.610 447 HZ3 TRP 54 3HZ TRP 54 -0.594 -12.315 -10.730 448 HH2 TRP 54 HH TRP 54 -2.262 -14.067 -11.062 449 H MET 55 H MET 55 -4.985 -6.859 -10.555 450 HA MET 55 HA MET 55 -4.731 -6.739 -13.430 451 1HB MET 55 2HB MET 55 -5.250 -9.180 -12.664 452 2HB MET 55 1HB MET 55 -6.872 -8.560 -12.386 453 1HG MET 55 2HG MET 55 -7.195 -8.072 -14.651 454 2HG MET 55 1HG MET 55 -5.476 -8.208 -15.013 455 1HE MET 55 1HE MET 55 -5.191 -9.865 -16.784 456 2HE MET 55 2HE MET 55 -6.912 -9.689 -17.123 457 3HE MET 55 3HE MET 55 -6.193 -11.296 -17.025 458 HA PRO 56 HA PRO 56 -8.134 -4.117 -11.604 459 1HB PRO 56 2HB PRO 56 -6.685 -1.881 -10.859 460 2HB PRO 56 1HB PRO 56 -7.138 -3.196 -9.776 461 1HG PRO 56 2HG PRO 56 -4.519 -2.468 -10.653 462 2HG PRO 56 1HG PRO 56 -4.976 -3.810 -9.597 463 1HD PRO 56 2HD PRO 56 -4.376 -3.806 -12.498 464 2HD PRO 56 1HD PRO 56 -4.233 -5.118 -11.313 465 H ASP 57 H ASP 57 -8.085 -1.369 -11.995 466 HA ASP 57 HA ASP 57 -7.244 -0.935 -14.757 467 1HB ASP 57 2HB ASP 57 -9.572 -1.797 -14.840 468 2HB ASP 57 1HB ASP 57 -10.079 -0.447 -13.829 469 H GLY 58 H GLY 58 -6.170 0.117 -12.369 470 1HA GLY 58 2HA GLY 58 -7.183 2.870 -12.263 471 2HA GLY 58 1HA GLY 58 -6.087 2.133 -11.105 472 H ASP 59 H ASP 59 -3.870 1.789 -11.749 473 HA ASP 59 HA ASP 59 -1.884 2.528 -12.577 474 1HB ASP 59 2HB ASP 59 -3.650 2.593 -15.003 475 2HB ASP 59 1HB ASP 59 -1.995 3.189 -15.102 476 H GLY 60 H GLY 60 -2.417 4.348 -11.012 477 1HA GLY 60 2HA GLY 60 -2.654 6.901 -12.479 478 2HA GLY 60 1HA GLY 60 -3.154 6.672 -10.810 479 H VAL 61 H VAL 61 -0.486 7.225 -12.961 480 HA VAL 61 HA VAL 61 1.665 6.888 -11.222 481 HB VAL 61 HB VAL 61 1.323 8.819 -13.521 482 1HG1 VAL 61 1HG1 VAL 61 3.802 7.995 -12.029 483 2HG1 VAL 61 2HG1 VAL 61 3.108 9.613 -12.136 484 3HG1 VAL 61 3HG1 VAL 61 3.800 8.853 -13.570 485 1HG2 VAL 61 1HG2 VAL 61 2.921 6.292 -13.580 486 2HG2 VAL 61 2HG2 VAL 61 2.201 7.193 -14.915 487 3HG2 VAL 61 3HG2 VAL 61 1.176 6.249 -13.834 488 H ASN 62 H ASN 62 -0.587 9.542 -11.634 489 HA ASN 62 HA ASN 62 0.890 11.339 -9.935 490 1HB ASN 62 2HB ASN 62 -1.247 11.558 -11.797 491 2HB ASN 62 1HB ASN 62 -1.824 12.180 -10.254 492 1HD2 ASN 62 1HD2 ASN 62 0.312 12.647 -12.910 493 2HD2 ASN 62 2HD2 ASN 62 0.885 14.212 -12.455 494 H PHE 63 H PHE 63 -0.870 8.647 -9.230 495 HA PHE 63 HA PHE 63 -2.580 9.442 -7.161 496 1HB PHE 63 2HB PHE 63 -2.519 7.166 -8.210 497 2HB PHE 63 1HB PHE 63 -1.042 6.841 -7.306 498 HD1 PHE 63 1HD PHE 63 -4.153 8.573 -6.229 499 HD2 PHE 63 2HD PHE 63 -1.610 5.189 -5.778 500 HE1 PHE 63 1HE PHE 63 -5.501 7.820 -4.316 501 HE2 PHE 63 2HE PHE 63 -2.956 4.430 -3.865 502 HZ PHE 63 HZ PHE 63 -4.903 5.746 -3.130 503 H ILE 64 H ILE 64 0.865 8.714 -7.177 504 HA ILE 64 HA ILE 64 1.467 8.502 -4.521 505 HB ILE 64 HB ILE 64 3.031 9.984 -6.639 506 1HG1 ILE 64 2HG1 ILE 64 4.344 7.642 -6.085 507 2HG1 ILE 64 1HG1 ILE 64 2.662 7.159 -5.903 508 1HG2 ILE 64 1HG2 ILE 64 4.988 9.626 -5.162 509 2HG2 ILE 64 2HG2 ILE 64 3.893 9.063 -3.898 510 3HG2 ILE 64 3HG2 ILE 64 3.793 10.726 -4.474 511 1HD1 ILE 64 1HD1 ILE 64 3.693 8.592 -8.331 512 2HD1 ILE 64 2HD1 ILE 64 2.161 7.739 -8.134 513 3HD1 ILE 64 3HD1 ILE 64 3.671 6.835 -8.177 514 H ASP 65 H ASP 65 0.904 11.495 -6.337 515 HA ASP 65 HA ASP 65 1.509 13.259 -4.216 516 1HB ASP 65 2HB ASP 65 0.822 13.538 -6.889 517 2HB ASP 65 1HB ASP 65 -0.556 14.237 -6.044 518 H PHE 66 H PHE 66 -1.507 11.759 -5.301 519 HA PHE 66 HA PHE 66 -3.259 13.050 -3.544 520 1HB PHE 66 2HB PHE 66 -4.187 11.747 -5.320 521 2HB PHE 66 1HB PHE 66 -3.329 10.301 -4.800 522 HD1 PHE 66 1HD PHE 66 -4.016 9.178 -2.669 523 HD2 PHE 66 2HD PHE 66 -6.314 12.276 -4.470 524 HE1 PHE 66 1HE PHE 66 -5.975 8.485 -1.353 525 HE2 PHE 66 2HE PHE 66 -8.277 11.588 -3.156 526 HZ PHE 66 HZ PHE 66 -8.109 9.691 -1.595 527 H ILE 67 H ILE 67 -1.067 10.364 -3.111 528 HA ILE 67 HA ILE 67 -2.031 9.450 -0.616 529 HB ILE 67 HB ILE 67 0.872 9.304 -1.366 530 1HG1 ILE 67 2HG1 ILE 67 -0.112 8.680 -3.428 531 2HG1 ILE 67 1HG1 ILE 67 0.259 7.169 -2.612 532 1HG2 ILE 67 1HG2 ILE 67 0.707 8.204 0.595 533 2HG2 ILE 67 2HG2 ILE 67 0.215 6.876 -0.457 534 3HG2 ILE 67 3HG2 ILE 67 -1.005 7.841 0.375 535 1HD1 ILE 67 1HD1 ILE 67 -2.161 7.917 -3.736 536 2HD1 ILE 67 2HD1 ILE 67 -2.417 8.052 -1.996 537 3HD1 ILE 67 3HD1 ILE 67 -1.857 6.531 -2.690 538 H LYS 68 H LYS 68 0.703 11.582 -1.441 539 HA LYS 68 HA LYS 68 1.206 12.294 1.283 540 1HB LYS 68 2HB LYS 68 2.106 13.663 -1.261 541 2HB LYS 68 1HB LYS 68 2.767 13.938 0.345 542 1HG LYS 68 2HG LYS 68 3.270 11.396 0.300 543 2HG LYS 68 1HG LYS 68 3.074 11.567 -1.446 544 1HD LYS 68 2HD LYS 68 4.755 13.650 -0.308 545 2HD LYS 68 1HD LYS 68 5.386 12.031 0.002 546 1HE LYS 68 2HE LYS 68 6.342 12.553 -2.039 547 2HE LYS 68 1HE LYS 68 4.915 11.633 -2.512 548 1HZ LYS 68 1HZ LYS 68 3.910 13.453 -3.373 549 2HZ LYS 68 2HZ LYS 68 5.510 13.952 -3.590 550 3HZ LYS 68 3HZ LYS 68 4.616 14.526 -2.273 551 H GLU 69 H GLU 69 -1.061 13.312 -1.049 552 HA GLU 69 HA GLU 69 -1.400 16.009 -0.239 553 1HB GLU 69 2HB GLU 69 -2.183 15.011 -2.408 554 2HB GLU 69 1HB GLU 69 -3.461 14.210 -1.507 555 1HG GLU 69 2HG GLU 69 -4.201 16.481 -0.737 556 2HG GLU 69 1HG GLU 69 -3.056 17.161 -1.892 557 H ASN 70 H ASN 70 -3.020 12.984 0.631 558 HA ASN 70 HA ASN 70 -4.304 14.405 2.871 559 1HB ASN 70 2HB ASN 70 -5.289 11.789 1.756 560 2HB ASN 70 1HB ASN 70 -6.162 12.968 2.732 561 1HD2 ASN 70 1HD2 ASN 70 -4.581 12.576 -0.407 562 2HD2 ASN 70 2HD2 ASN 70 -5.667 13.594 -1.280 563 H SER 71 H SER 71 -1.649 12.785 2.459 564 HA SER 71 HA SER 71 -1.632 11.703 5.109 565 1HB SER 71 2HB SER 71 -1.987 9.915 2.786 566 2HB SER 71 1HB SER 71 -0.715 9.436 3.911 567 HG SER 71 HG SER 71 -2.183 9.233 5.507 568 HA PRO 72 HA PRO 72 2.417 13.176 3.296 569 1HB PRO 72 2HB PRO 72 2.478 15.036 5.539 570 2HB PRO 72 1HB PRO 72 2.570 15.378 3.811 571 1HG PRO 72 2HG PRO 72 0.419 16.031 5.327 572 2HG PRO 72 1HG PRO 72 0.299 15.629 3.605 573 1HD PRO 72 2HD PRO 72 -0.303 13.933 5.996 574 2HD PRO 72 1HD PRO 72 -1.182 14.066 4.458 575 H ASP 73 H ASP 73 1.263 12.163 6.347 576 HA ASP 73 HA ASP 73 3.978 11.512 7.257 577 1HB ASP 73 2HB ASP 73 2.245 12.856 8.682 578 2HB ASP 73 1HB ASP 73 1.574 11.261 9.012 579 H SER 74 H SER 74 2.538 10.024 5.227 580 HA SER 74 HA SER 74 2.101 7.466 6.618 581 1HB SER 74 2HB SER 74 0.147 8.280 5.363 582 2HB SER 74 1HB SER 74 1.119 8.358 3.895 583 HG SER 74 HG SER 74 -0.254 6.325 4.712 584 H VAL 75 H VAL 75 2.291 5.899 4.215 585 HA VAL 75 HA VAL 75 4.970 6.358 3.191 586 HB VAL 75 HB VAL 75 4.350 3.767 4.615 587 1HG1 VAL 75 1HG1 VAL 75 6.820 4.783 3.197 588 2HG1 VAL 75 2HG1 VAL 75 5.767 3.471 2.667 589 3HG1 VAL 75 3HG1 VAL 75 6.734 3.290 4.132 590 1HG2 VAL 75 1HG2 VAL 75 4.738 5.292 6.340 591 2HG2 VAL 75 2HG2 VAL 75 5.937 6.187 5.408 592 3HG2 VAL 75 3HG2 VAL 75 6.329 4.591 6.047 593 H VAL 76 H VAL 76 5.251 5.619 1.197 594 HA VAL 76 HA VAL 76 3.081 3.988 0.045 595 HB VAL 76 HB VAL 76 4.883 5.855 -1.487 596 1HG1 VAL 76 1HG1 VAL 76 3.992 4.413 -3.043 597 2HG1 VAL 76 2HG1 VAL 76 2.782 5.696 -3.028 598 3HG1 VAL 76 3HG1 VAL 76 2.491 4.199 -2.143 599 1HG2 VAL 76 1HG2 VAL 76 2.460 6.398 0.102 600 2HG2 VAL 76 2HG2 VAL 76 2.501 7.106 -1.512 601 3HG2 VAL 76 3HG2 VAL 76 3.782 7.471 -0.355 602 H ILE 77 H ILE 77 3.643 1.968 -0.368 603 HA ILE 77 HA ILE 77 6.449 1.360 -0.981 604 HB ILE 77 HB ILE 77 4.223 -0.557 -0.277 605 1HG1 ILE 77 2HG1 ILE 77 4.787 0.976 1.582 606 2HG1 ILE 77 1HG1 ILE 77 5.249 -0.687 1.933 607 1HG2 ILE 77 1HG2 ILE 77 5.644 -2.053 -1.139 608 2HG2 ILE 77 2HG2 ILE 77 6.614 -1.770 0.305 609 3HG2 ILE 77 3HG2 ILE 77 6.975 -0.899 -1.184 610 1HD1 ILE 77 1HD1 ILE 77 7.471 0.553 0.718 611 2HD1 ILE 77 2HD1 ILE 77 7.295 0.009 2.387 612 3HD1 ILE 77 3HD1 ILE 77 6.853 1.658 1.947 613 H VAL 78 H VAL 78 3.153 0.669 -2.134 614 HA VAL 78 HA VAL 78 2.363 -0.061 -4.155 615 HB VAL 78 HB VAL 78 4.664 1.620 -5.178 616 1HG1 VAL 78 1HG1 VAL 78 2.078 0.894 -6.550 617 2HG1 VAL 78 2HG1 VAL 78 3.627 0.115 -6.865 618 3HG1 VAL 78 3HG1 VAL 78 3.412 1.829 -7.221 619 1HG2 VAL 78 1HG2 VAL 78 1.839 2.565 -4.951 620 2HG2 VAL 78 2HG2 VAL 78 3.337 3.496 -4.996 621 3HG2 VAL 78 3HG2 VAL 78 2.895 2.606 -3.539 622 H ILE 79 H ILE 79 2.870 -2.265 -3.863 623 HA ILE 79 HA ILE 79 5.369 -3.247 -5.015 624 HB ILE 79 HB ILE 79 3.208 -4.967 -3.823 625 1HG1 ILE 79 2HG1 ILE 79 5.459 -3.598 -2.338 626 2HG1 ILE 79 1HG1 ILE 79 3.752 -3.195 -2.196 627 1HG2 ILE 79 1HG2 ILE 79 5.555 -6.099 -3.155 628 2HG2 ILE 79 2HG2 ILE 79 6.016 -5.295 -4.656 629 3HG2 ILE 79 3HG2 ILE 79 4.688 -6.455 -4.649 630 1HD1 ILE 79 1HD1 ILE 79 3.760 -4.582 -0.457 631 2HD1 ILE 79 2HD1 ILE 79 5.287 -5.321 -0.937 632 3HD1 ILE 79 3HD1 ILE 79 3.774 -5.877 -1.653 633 H THR 80 H THR 80 5.270 -5.128 -6.499 634 HA THR 80 HA THR 80 2.840 -5.514 -8.009 635 HB THR 80 HB THR 80 3.740 -4.786 -10.147 636 HG1 THR 80 1HG THR 80 6.003 -3.965 -8.650 637 1HG2 THR 80 1HG2 THR 80 2.576 -3.093 -8.763 638 2HG2 THR 80 2HG2 THR 80 3.758 -2.416 -9.883 639 3HG2 THR 80 3HG2 THR 80 4.149 -2.560 -8.169 640 H GLY 81 H GLY 81 3.009 -7.232 -9.576 641 1HA GLY 81 2HA GLY 81 5.446 -8.866 -9.363 642 2HA GLY 81 1HA GLY 81 3.893 -9.586 -8.967 643 H HIS 82 H HIS 82 4.708 -11.070 -10.726 644 HA HIS 82 HA HIS 82 4.423 -11.933 -12.809 645 1HB HIS 82 2HB HIS 82 2.265 -10.080 -12.474 646 2HB HIS 82 1HB HIS 82 2.823 -10.001 -14.142 647 HD1 HIS 82 1HD HIS 82 0.540 -11.108 -14.838 648 HD2 HIS 82 2HD HIS 82 3.009 -13.492 -12.498 649 HE1 HIS 82 1HE HIS 82 -0.380 -13.438 -15.048 650 HE2 HIS 82 2HE HIS 82 1.194 -14.879 -13.709 651 H GLY 83 H GLY 83 4.113 -8.508 -13.705 652 1HA GLY 83 2HA GLY 83 6.832 -8.403 -14.683 653 2HA GLY 83 1HA GLY 83 5.616 -8.464 -15.949 654 H SER 84 H SER 84 7.356 -6.477 -13.859 655 HA SER 84 HA SER 84 6.281 -4.106 -14.975 656 1HB SER 84 2HB SER 84 5.225 -5.013 -12.352 657 2HB SER 84 1HB SER 84 5.648 -3.306 -12.486 658 HG SER 84 HG SER 84 3.426 -4.003 -13.111 659 H VAL 85 H VAL 85 8.007 -2.853 -15.135 660 HA VAL 85 HA VAL 85 9.875 -2.705 -12.870 661 HB VAL 85 HB VAL 85 10.771 -2.771 -15.751 662 1HG1 VAL 85 1HG1 VAL 85 12.882 -2.444 -15.014 663 2HG1 VAL 85 2HG1 VAL 85 12.616 -3.343 -13.520 664 3HG1 VAL 85 3HG1 VAL 85 12.054 -1.677 -13.659 665 1HG2 VAL 85 1HG2 VAL 85 10.199 -4.966 -15.531 666 2HG2 VAL 85 2HG2 VAL 85 10.369 -4.949 -13.776 667 3HG2 VAL 85 3HG2 VAL 85 11.802 -5.021 -14.800 668 H ASP 86 H ASP 86 9.037 -1.240 -16.009 669 HA ASP 86 HA ASP 86 10.150 1.295 -15.378 670 1HB ASP 86 2HB ASP 86 8.044 0.622 -17.446 671 2HB ASP 86 1HB ASP 86 9.030 2.080 -17.401 672 H THR 87 H THR 87 7.313 -0.226 -14.327 673 HA THR 87 HA THR 87 5.731 2.164 -14.037 674 HB THR 87 HB THR 87 4.885 -0.280 -14.269 675 HG1 THR 87 1HG THR 87 3.601 1.607 -13.752 676 1HG2 THR 87 1HG2 THR 87 6.125 -1.264 -12.408 677 2HG2 THR 87 2HG2 THR 87 4.381 -1.419 -12.192 678 3HG2 THR 87 3HG2 THR 87 5.277 -0.200 -11.286 679 H ALA 88 H ALA 88 7.894 0.229 -12.087 680 HA ALA 88 HA ALA 88 7.378 1.321 -9.566 681 1HB ALA 88 1HB ALA 88 10.102 0.490 -10.532 682 2HB ALA 88 2HB ALA 88 8.837 -0.674 -10.134 683 3HB ALA 88 3HB ALA 88 9.456 0.417 -8.894 684 H VAL 89 H VAL 89 9.954 2.164 -11.854 685 HA VAL 89 HA VAL 89 10.879 4.431 -10.517 686 HB VAL 89 HB VAL 89 11.945 5.072 -12.611 687 1HG1 VAL 89 1HG1 VAL 89 12.682 3.033 -11.229 688 2HG1 VAL 89 2HG1 VAL 89 13.345 3.223 -12.853 689 3HG1 VAL 89 3HG1 VAL 89 12.037 2.076 -12.563 690 1HG2 VAL 89 1HG2 VAL 89 11.482 3.507 -14.621 691 2HG2 VAL 89 2HG2 VAL 89 10.358 4.826 -14.289 692 3HG2 VAL 89 3HG2 VAL 89 9.954 3.180 -13.803 693 H LYS 90 H LYS 90 8.088 3.951 -12.522 694 HA LYS 90 HA LYS 90 7.637 6.804 -12.876 695 1HB LYS 90 2HB LYS 90 7.138 5.093 -14.666 696 2HB LYS 90 1HB LYS 90 5.814 4.535 -13.656 697 1HG LYS 90 2HG LYS 90 4.831 6.802 -13.758 698 2HG LYS 90 1HG LYS 90 6.121 7.274 -14.866 699 1HD LYS 90 2HD LYS 90 4.419 4.887 -15.463 700 2HD LYS 90 1HD LYS 90 3.828 6.511 -15.818 701 1HE LYS 90 2HE LYS 90 4.873 6.218 -17.784 702 2HE LYS 90 1HE LYS 90 6.325 6.624 -16.869 703 1HZ LYS 90 1HZ LYS 90 6.646 4.616 -18.158 704 2HZ LYS 90 2HZ LYS 90 5.322 3.879 -17.404 705 3HZ LYS 90 3HZ LYS 90 6.704 4.258 -16.506 706 H ALA 91 H ALA 91 7.709 5.943 -10.198 707 HA ALA 91 HA ALA 91 5.278 7.031 -9.239 708 1HB ALA 91 1HB ALA 91 4.551 5.001 -7.954 709 2HB ALA 91 2HB ALA 91 5.660 4.057 -8.948 710 3HB ALA 91 3HB ALA 91 4.307 4.907 -9.698 711 H ILE 92 H ILE 92 8.128 5.069 -8.519 712 HA ILE 92 HA ILE 92 8.223 5.828 -5.768 713 HB ILE 92 HB ILE 92 10.167 4.561 -5.568 714 1HG1 ILE 92 2HG1 ILE 92 10.587 4.991 -8.536 715 2HG1 ILE 92 1HG1 ILE 92 11.587 5.593 -7.217 716 1HG2 ILE 92 1HG2 ILE 92 9.438 2.862 -7.768 717 2HG2 ILE 92 2HG2 ILE 92 7.992 3.521 -7.004 718 3HG2 ILE 92 3HG2 ILE 92 9.169 2.632 -6.041 719 1HD1 ILE 92 1HD1 ILE 92 12.880 3.823 -7.570 720 2HD1 ILE 92 2HD1 ILE 92 11.674 3.054 -8.601 721 3HD1 ILE 92 3HD1 ILE 92 11.595 2.855 -6.851 722 H LYS 93 H LYS 93 9.903 6.870 -8.700 723 HA LYS 93 HA LYS 93 11.708 8.640 -7.484 724 1HB LYS 93 2HB LYS 93 11.098 7.843 -10.087 725 2HB LYS 93 1HB LYS 93 10.792 9.574 -10.078 726 1HG LYS 93 2HG LYS 93 12.983 9.651 -10.590 727 2HG LYS 93 1HG LYS 93 13.159 9.551 -8.837 728 1HD LYS 93 2HD LYS 93 13.016 7.050 -10.469 729 2HD LYS 93 1HD LYS 93 14.529 7.952 -10.374 730 1HE LYS 93 2HE LYS 93 13.002 7.168 -7.912 731 2HE LYS 93 1HE LYS 93 14.145 6.067 -8.680 732 1HZ LYS 93 1HZ LYS 93 15.923 7.412 -8.163 733 2HZ LYS 93 2HZ LYS 93 14.944 7.621 -6.799 734 3HZ LYS 93 3HZ LYS 93 14.981 8.808 -8.004 735 H LYS 94 H LYS 94 8.318 8.867 -8.017 736 HA LYS 94 HA LYS 94 8.123 11.714 -7.985 737 1HB LYS 94 2HB LYS 94 6.142 9.485 -7.660 738 2HB LYS 94 1HB LYS 94 5.675 11.164 -7.428 739 1HG LYS 94 2HG LYS 94 7.107 10.474 -9.928 740 2HG LYS 94 1HG LYS 94 5.434 9.936 -9.760 741 1HD LYS 94 2HD LYS 94 5.136 12.459 -8.948 742 2HD LYS 94 1HD LYS 94 6.540 12.678 -9.994 743 1HE LYS 94 2HE LYS 94 5.376 12.214 -11.886 744 2HE LYS 94 1HE LYS 94 4.310 11.066 -11.077 745 1HZ LYS 94 1HZ LYS 94 4.065 13.974 -11.325 746 2HZ LYS 94 2HZ LYS 94 3.450 13.241 -9.930 747 3HZ LYS 94 3HZ LYS 94 2.876 12.779 -11.452 748 H GLY 95 H GLY 95 8.276 9.231 -5.547 749 1HA GLY 95 2HA GLY 95 9.046 10.721 -3.441 750 2HA GLY 95 1HA GLY 95 7.312 10.983 -3.448 751 H ALA 96 H ALA 96 7.128 8.076 -4.547 752 HA ALA 96 HA ALA 96 6.348 6.835 -2.219 753 1HB ALA 96 1HB ALA 96 5.799 5.122 -3.544 754 2HB ALA 96 2HB ALA 96 7.447 4.943 -4.150 755 3HB ALA 96 3HB ALA 96 6.366 6.138 -4.869 756 H TYR 97 H TYR 97 7.385 4.607 -1.529 757 HA TYR 97 HA TYR 97 10.069 5.271 -0.583 758 1HB TYR 97 2HB TYR 97 8.362 4.714 1.084 759 2HB TYR 97 1HB TYR 97 8.126 3.145 0.328 760 HD1 TYR 97 1HD TYR 97 10.843 5.215 1.851 761 HD2 TYR 97 2HD TYR 97 9.250 1.324 1.196 762 HE1 TYR 97 1HE TYR 97 12.588 4.262 3.296 763 HE2 TYR 97 2HE TYR 97 10.991 0.360 2.639 764 HH TYR 97 HH TYR 97 13.731 1.833 3.450 765 H GLU 98 H GLU 98 9.474 4.233 -3.284 766 HA GLU 98 HA GLU 98 10.622 2.953 -4.782 767 1HB GLU 98 2HB GLU 98 12.684 2.258 -4.233 768 2HB GLU 98 1HB GLU 98 12.362 2.998 -2.675 769 1HG GLU 98 2HG GLU 98 11.401 0.679 -2.042 770 2HG GLU 98 1HG GLU 98 12.310 0.112 -3.441 771 H PHE 99 H PHE 99 10.308 0.982 -5.777 772 HA PHE 99 HA PHE 99 8.037 -0.476 -4.952 773 1HB PHE 99 2HB PHE 99 9.871 -0.449 -7.219 774 2HB PHE 99 1HB PHE 99 9.325 -2.072 -6.820 775 HD1 PHE 99 1HD PHE 99 7.915 -2.535 -8.633 776 HD2 PHE 99 2HD PHE 99 7.410 1.071 -6.430 777 HE1 PHE 99 1HE PHE 99 5.805 -2.106 -9.826 778 HE2 PHE 99 2HE PHE 99 5.300 1.505 -7.619 779 HZ PHE 99 HZ PHE 99 4.493 -0.085 -9.317 780 H LEU 100 H LEU 100 7.811 -2.428 -3.954 781 HA LEU 100 HA LEU 100 9.903 -3.327 -2.272 782 1HB LEU 100 2HB LEU 100 7.368 -3.453 -1.913 783 2HB LEU 100 1HB LEU 100 7.409 -4.868 -2.949 784 HG LEU 100 HG LEU 100 7.402 -5.457 -0.565 785 1HD1 LEU 100 1HD1 LEU 100 8.741 -7.235 -0.890 786 2HD1 LEU 100 2HD1 LEU 100 10.119 -6.248 -1.374 787 3HD1 LEU 100 3HD1 LEU 100 8.832 -6.595 -2.531 788 1HD2 LEU 100 1HD2 LEU 100 10.160 -4.275 -0.396 789 2HD2 LEU 100 2HD2 LEU 100 9.146 -4.890 0.910 790 3HD2 LEU 100 3HD2 LEU 100 8.719 -3.384 0.096 791 H GLU 101 H GLU 101 11.276 -5.034 -2.463 792 HA GLU 101 HA GLU 101 12.150 -5.906 -4.916 793 1HB GLU 101 2HB GLU 101 12.321 -7.361 -2.272 794 2HB GLU 101 1HB GLU 101 13.275 -7.751 -3.697 795 1HG GLU 101 2HG GLU 101 14.798 -6.414 -2.758 796 2HG GLU 101 1HG GLU 101 13.816 -5.116 -3.434 797 H LYS 102 H LYS 102 11.363 -7.206 -6.421 798 HA LYS 102 HA LYS 102 8.898 -8.484 -6.256 799 1HB LYS 102 2HB LYS 102 11.215 -8.982 -8.128 800 2HB LYS 102 1HB LYS 102 9.617 -9.683 -8.339 801 1HG LYS 102 2HG LYS 102 9.040 -7.883 -9.486 802 2HG LYS 102 1HG LYS 102 9.201 -6.936 -8.005 803 1HD LYS 102 2HD LYS 102 11.369 -6.260 -8.528 804 2HD LYS 102 1HD LYS 102 11.599 -7.569 -9.689 805 1HE LYS 102 2HE LYS 102 11.321 -5.658 -11.009 806 2HE LYS 102 1HE LYS 102 9.748 -6.452 -11.047 807 1HZ LYS 102 1HZ LYS 102 10.319 -4.351 -9.059 808 2HZ LYS 102 2HZ LYS 102 8.823 -4.870 -9.656 809 3HZ LYS 102 3HZ LYS 102 9.846 -3.939 -10.630 810 HA PRO 103 HA PRO 103 11.329 -12.700 -5.725 811 1HB PRO 103 2HB PRO 103 13.768 -12.364 -4.462 812 2HB PRO 103 1HB PRO 103 13.556 -12.625 -6.195 813 1HG PRO 103 2HG PRO 103 13.982 -10.076 -4.700 814 2HG PRO 103 1HG PRO 103 14.647 -10.586 -6.262 815 1HD PRO 103 2HD PRO 103 12.612 -8.852 -6.107 816 2HD PRO 103 1HD PRO 103 12.699 -10.061 -7.404 817 H PHE 104 H PHE 104 12.196 -13.809 -3.592 818 HA PHE 104 HA PHE 104 11.810 -14.278 -1.401 819 1HB PHE 104 2HB PHE 104 11.977 -11.271 -1.269 820 2HB PHE 104 1HB PHE 104 11.694 -12.249 0.166 821 HD1 PHE 104 1HD PHE 104 14.137 -10.719 -1.801 822 HD2 PHE 104 2HD PHE 104 13.407 -14.240 0.475 823 HE1 PHE 104 1HE PHE 104 16.561 -11.066 -1.567 824 HE2 PHE 104 2HE PHE 104 15.831 -14.593 0.713 825 HZ PHE 104 HZ PHE 104 17.411 -13.005 -0.309 826 H SER 105 H SER 105 10.099 -14.598 0.039 827 HA SER 105 HA SER 105 7.501 -14.185 -1.073 828 1HB SER 105 2HB SER 105 7.985 -16.226 0.160 829 2HB SER 105 1HB SER 105 8.355 -15.294 1.612 830 HG SER 105 HG SER 105 6.281 -14.995 1.968 831 H VAL 106 H VAL 106 5.688 -13.391 0.437 832 HA VAL 106 HA VAL 106 5.969 -10.654 0.846 833 HB VAL 106 HB VAL 106 3.792 -11.743 0.580 834 1HG1 VAL 106 1HG1 VAL 106 4.550 -13.033 3.152 835 2HG1 VAL 106 2HG1 VAL 106 3.759 -13.717 1.733 836 3HG1 VAL 106 3HG1 VAL 106 2.848 -12.691 2.841 837 1HG2 VAL 106 1HG2 VAL 106 3.573 -10.474 3.257 838 2HG2 VAL 106 2HG2 VAL 106 2.639 -10.191 1.788 839 3HG2 VAL 106 3HG2 VAL 106 4.265 -9.525 1.943 840 H GLU 107 H GLU 107 6.570 -13.331 3.051 841 HA GLU 107 HA GLU 107 6.559 -12.160 5.504 842 1HB GLU 107 2HB GLU 107 7.258 -14.538 4.810 843 2HB GLU 107 1HB GLU 107 8.879 -13.871 4.666 844 1HG GLU 107 2HG GLU 107 8.094 -12.989 7.131 845 2HG GLU 107 1HG GLU 107 7.343 -14.581 7.035 846 H ARG 108 H ARG 108 8.951 -11.737 2.965 847 HA ARG 108 HA ARG 108 10.840 -10.285 4.510 848 1HB ARG 108 2HB ARG 108 11.106 -11.405 2.176 849 2HB ARG 108 1HB ARG 108 10.461 -9.893 1.554 850 1HG ARG 108 2HG ARG 108 12.615 -9.289 1.477 851 2HG ARG 108 1HG ARG 108 12.396 -8.969 3.198 852 1HD ARG 108 2HD ARG 108 13.090 -11.741 2.441 853 2HD ARG 108 1HD ARG 108 14.350 -10.527 2.225 854 HE ARG 108 HE ARG 108 13.259 -10.200 4.774 855 1HH1 ARG 108 1HH1 ARG 108 15.132 -12.543 2.992 856 2HH1 ARG 108 2HH1 ARG 108 15.941 -13.151 4.397 857 1HH2 ARG 108 1HH2 ARG 108 14.322 -10.997 6.623 858 2HH2 ARG 108 2HH2 ARG 108 15.481 -12.274 6.459 859 H PHE 109 H PHE 109 8.094 -9.390 2.496 860 HA PHE 109 HA PHE 109 8.390 -6.613 2.514 861 1HB PHE 109 2HB PHE 109 6.780 -7.457 1.022 862 2HB PHE 109 1HB PHE 109 6.021 -8.454 2.255 863 HD1 PHE 109 1HD PHE 109 6.590 -4.887 1.356 864 HD2 PHE 109 2HD PHE 109 4.076 -7.740 3.267 865 HE1 PHE 109 1HE PHE 109 4.899 -3.140 1.730 866 HE2 PHE 109 2HE PHE 109 2.381 -5.999 3.644 867 HZ PHE 109 HZ PHE 109 2.792 -3.696 2.877 868 H LEU 110 H LEU 110 7.316 -8.825 4.957 869 HA LEU 110 HA LEU 110 5.872 -7.122 6.634 870 1HB LEU 110 2HB LEU 110 6.520 -9.729 6.669 871 2HB LEU 110 1HB LEU 110 7.589 -9.129 7.919 872 HG LEU 110 HG LEU 110 4.631 -8.578 7.929 873 1HD1 LEU 110 1HD1 LEU 110 4.494 -10.405 9.605 874 2HD1 LEU 110 2HD1 LEU 110 6.141 -10.865 9.174 875 3HD1 LEU 110 3HD1 LEU 110 4.855 -10.960 7.971 876 1HD2 LEU 110 1HD2 LEU 110 6.828 -7.675 9.487 877 2HD2 LEU 110 2HD2 LEU 110 5.831 -8.719 10.500 878 3HD2 LEU 110 3HD2 LEU 110 5.112 -7.325 9.694 879 H LEU 111 H LEU 111 9.323 -7.923 6.622 880 HA LEU 111 HA LEU 111 10.156 -6.521 8.841 881 1HB LEU 111 2HB LEU 111 11.544 -7.026 6.224 882 2HB LEU 111 1HB LEU 111 12.342 -6.259 7.584 883 HG LEU 111 HG LEU 111 11.583 -8.394 8.887 884 1HD1 LEU 111 1HD1 LEU 111 11.005 -9.064 6.084 885 2HD1 LEU 111 2HD1 LEU 111 10.349 -9.739 7.576 886 3HD1 LEU 111 3HD1 LEU 111 11.920 -10.276 6.981 887 1HD2 LEU 111 1HD2 LEU 111 13.926 -7.555 7.887 888 2HD2 LEU 111 2HD2 LEU 111 13.737 -9.056 6.981 889 3HD2 LEU 111 3HD2 LEU 111 13.729 -9.085 8.744 890 H THR 112 H THR 112 10.015 -5.307 5.493 891 HA THR 112 HA THR 112 10.866 -2.708 6.018 892 HB THR 112 HB THR 112 8.922 -3.657 3.904 893 HG1 THR 112 1HG THR 112 11.742 -3.360 3.861 894 1HG2 THR 112 1HG2 THR 112 9.677 -1.757 2.586 895 2HG2 THR 112 2HG2 THR 112 10.639 -1.186 3.949 896 3HG2 THR 112 3HG2 THR 112 8.880 -1.235 4.069 897 H ILE 113 H ILE 113 7.574 -4.037 5.974 898 HA ILE 113 HA ILE 113 6.055 -1.802 6.301 899 HB ILE 113 HB ILE 113 5.762 -4.592 7.298 900 1HG1 ILE 113 2HG1 ILE 113 5.155 -3.988 4.997 901 2HG1 ILE 113 1HG1 ILE 113 3.744 -4.512 5.910 902 1HG2 ILE 113 1HG2 ILE 113 4.201 -2.259 8.326 903 2HG2 ILE 113 2HG2 ILE 113 4.839 -3.652 9.199 904 3HG2 ILE 113 3HG2 ILE 113 3.432 -3.837 8.151 905 1HD1 ILE 113 1HD1 ILE 113 4.492 -1.741 5.056 906 2HD1 ILE 113 2HD1 ILE 113 3.297 -2.044 6.318 907 3HD1 ILE 113 3HD1 ILE 113 3.031 -2.657 4.686 908 H LYS 114 H LYS 114 7.442 -3.657 9.030 909 HA LYS 114 HA LYS 114 6.623 -2.052 11.101 910 1HB LYS 114 2HB LYS 114 8.019 -4.225 11.140 911 2HB LYS 114 1HB LYS 114 9.411 -3.160 11.022 912 1HG LYS 114 2HG LYS 114 7.370 -2.694 13.146 913 2HG LYS 114 1HG LYS 114 8.574 -3.968 13.345 914 1HD LYS 114 2HD LYS 114 9.262 -1.105 12.702 915 2HD LYS 114 1HD LYS 114 9.195 -1.749 14.343 916 1HE LYS 114 2HE LYS 114 10.826 -3.225 12.354 917 2HE LYS 114 1HE LYS 114 11.446 -1.678 12.926 918 1HZ LYS 114 1HZ LYS 114 11.085 -2.560 15.229 919 2HZ LYS 114 2HZ LYS 114 12.306 -3.331 14.348 920 3HZ LYS 114 3HZ LYS 114 10.799 -4.078 14.539 921 H HIS 115 H HIS 115 9.788 -1.852 9.509 922 HA HIS 115 HA HIS 115 10.667 0.522 10.569 923 1HB HIS 115 2HB HIS 115 11.116 -0.281 7.692 924 2HB HIS 115 1HB HIS 115 12.177 0.682 8.715 925 HD1 HIS 115 1HD HIS 115 12.266 -1.139 11.201 926 HD2 HIS 115 2HD HIS 115 12.657 -2.492 7.292 927 HE1 HIS 115 1HE HIS 115 13.499 -3.323 11.366 928 HE2 HIS 115 2HE HIS 115 13.820 -4.067 8.981 929 H ALA 116 H ALA 116 8.209 0.023 8.142 930 HA ALA 116 HA ALA 116 8.187 2.657 7.084 931 1HB ALA 116 1HB ALA 116 5.739 0.940 7.202 932 2HB ALA 116 2HB ALA 116 7.097 0.490 6.172 933 3HB ALA 116 3HB ALA 116 6.278 2.033 5.928 934 H PHE 117 H PHE 117 6.802 1.178 9.919 935 HA PHE 117 HA PHE 117 5.098 3.456 10.488 936 1HB PHE 117 2HB PHE 117 5.570 0.796 11.805 937 2HB PHE 117 1HB PHE 117 4.655 2.064 12.614 938 HD1 PHE 117 1HD PHE 117 2.492 2.745 11.801 939 HD2 PHE 117 2HD PHE 117 4.675 -0.357 9.876 940 HE1 PHE 117 1HE PHE 117 0.451 2.056 10.617 941 HE2 PHE 117 2HE PHE 117 2.637 -1.053 8.684 942 HZ PHE 117 HZ PHE 117 0.522 0.158 9.056 943 H GLU 118 H GLU 118 8.215 2.213 11.424 944 HA GLU 118 HA GLU 118 8.366 4.076 13.674 945 1HB GLU 118 2HB GLU 118 10.174 1.835 12.792 946 2HB GLU 118 1HB GLU 118 10.546 2.914 14.129 947 1HG GLU 118 2HG GLU 118 7.895 1.750 14.342 948 2HG GLU 118 1HG GLU 118 9.171 0.535 14.280 949 H GLU 119 H GLU 119 10.007 3.356 10.618 950 HA GLU 119 HA GLU 119 11.754 5.659 10.965 951 1HB GLU 119 2HB GLU 119 11.596 3.700 8.670 952 2HB GLU 119 1HB GLU 119 12.857 4.898 8.932 953 1HG GLU 119 2HG GLU 119 13.075 3.618 11.239 954 2HG GLU 119 1HG GLU 119 12.385 2.305 10.284 955 H TYR 120 H TYR 120 8.826 5.991 10.548 956 HA TYR 120 HA TYR 120 9.000 8.091 8.610 957 1HB TYR 120 2HB TYR 120 8.440 5.695 7.491 958 2HB TYR 120 1HB TYR 120 6.814 6.227 7.907 959 HD1 TYR 120 1HD TYR 120 6.848 9.073 7.421 960 HD2 TYR 120 2HD TYR 120 8.727 5.960 5.213 961 HE1 TYR 120 1HE TYR 120 6.794 10.479 5.405 962 HE2 TYR 120 2HE TYR 120 8.679 7.357 3.190 963 HH TYR 120 HH TYR 120 8.398 10.451 3.098 964 H SER 121 H SER 121 8.415 7.981 11.364 965 HA SER 121 HA SER 121 5.528 8.442 11.524 966 1HB SER 121 2HB SER 121 7.064 7.058 13.219 967 2HB SER 121 1HB SER 121 7.260 8.657 13.937 968 HG SER 121 HG SER 121 5.076 7.000 13.907 Start of MODEL 14 1 1H MET 1 1HT MET 1 0.502 2.498 17.344 2 2H MET 1 2HT MET 1 -0.861 1.456 17.261 3 3H MET 1 3HT MET 1 -0.910 2.860 18.248 4 HA MET 1 HA MET 1 -2.145 3.141 16.227 5 1HB MET 1 2HB MET 1 0.378 4.741 16.652 6 2HB MET 1 1HB MET 1 -0.857 5.222 15.497 7 1HG MET 1 2HG MET 1 -1.356 4.800 18.432 8 2HG MET 1 1HG MET 1 -1.007 6.361 17.693 9 1HE MET 1 1HE MET 1 -3.675 7.825 17.810 10 2HE MET 1 2HE MET 1 -2.925 6.901 19.112 11 3HE MET 1 3HE MET 1 -4.626 6.651 18.720 12 H LYS 2 H LYS 2 -1.709 1.091 15.021 13 HA LYS 2 HA LYS 2 -0.132 1.705 12.628 14 1HB LYS 2 2HB LYS 2 -0.069 -0.984 14.005 15 2HB LYS 2 1HB LYS 2 0.820 -0.521 12.559 16 1HG LYS 2 2HG LYS 2 1.225 0.949 15.132 17 2HG LYS 2 1HG LYS 2 2.049 -0.580 14.820 18 1HD LYS 2 2HD LYS 2 3.414 0.323 13.257 19 2HD LYS 2 1HD LYS 2 2.173 1.424 12.657 20 1HE LYS 2 2HE LYS 2 2.912 2.121 15.347 21 2HE LYS 2 1HE LYS 2 4.346 2.029 14.325 22 1HZ LYS 2 1HZ LYS 2 3.385 3.588 12.811 23 2HZ LYS 2 2HZ LYS 2 3.290 4.246 14.367 24 3HZ LYS 2 3HZ LYS 2 1.912 3.586 13.644 25 H ARG 3 H ARG 3 -1.014 1.014 10.730 26 HA ARG 3 HA ARG 3 -2.940 -1.006 10.453 27 1HB ARG 3 2HB ARG 3 -4.911 0.457 9.946 28 2HB ARG 3 1HB ARG 3 -4.452 0.386 11.640 29 1HG ARG 3 2HG ARG 3 -3.320 2.547 9.994 30 2HG ARG 3 1HG ARG 3 -5.021 2.639 10.446 31 1HD ARG 3 2HD ARG 3 -3.795 1.928 12.799 32 2HD ARG 3 1HD ARG 3 -2.623 3.022 12.065 33 HE ARG 3 HE ARG 3 -4.076 4.766 12.401 34 1HH1 ARG 3 1HH1 ARG 3 -5.761 1.753 12.914 35 2HH1 ARG 3 2HH1 ARG 3 -7.170 2.510 13.576 36 1HH2 ARG 3 1HH2 ARG 3 -5.930 5.762 13.271 37 2HH2 ARG 3 2HH2 ARG 3 -7.266 4.785 13.778 38 H VAL 4 H VAL 4 -1.719 -1.545 8.669 39 HA VAL 4 HA VAL 4 -1.106 0.358 6.613 40 HB VAL 4 HB VAL 4 -0.920 -2.648 6.422 41 1HG1 VAL 4 1HG1 VAL 4 0.181 -0.358 4.857 42 2HG1 VAL 4 2HG1 VAL 4 -0.550 -1.859 4.291 43 3HG1 VAL 4 3HG1 VAL 4 1.086 -1.867 4.950 44 1HG2 VAL 4 1HG2 VAL 4 1.168 -0.720 7.443 45 2HG2 VAL 4 2HG2 VAL 4 1.367 -2.459 7.228 46 3HG2 VAL 4 3HG2 VAL 4 0.242 -1.844 8.439 47 H LEU 5 H LEU 5 -1.741 0.081 4.350 48 HA LEU 5 HA LEU 5 -4.506 -0.907 4.101 49 1HB LEU 5 2HB LEU 5 -4.340 1.540 3.962 50 2HB LEU 5 1HB LEU 5 -3.189 1.390 2.648 51 HG LEU 5 HG LEU 5 -4.943 0.322 1.264 52 1HD1 LEU 5 1HD1 LEU 5 -6.888 -0.361 2.090 53 2HD1 LEU 5 2HD1 LEU 5 -7.194 1.203 2.841 54 3HD1 LEU 5 3HD1 LEU 5 -6.248 -0.015 3.695 55 1HD2 LEU 5 1HD2 LEU 5 -6.480 2.519 1.398 56 2HD2 LEU 5 2HD2 LEU 5 -4.884 2.494 0.648 57 3HD2 LEU 5 3HD2 LEU 5 -5.072 3.081 2.301 58 H VAL 6 H VAL 6 -4.969 -2.300 2.471 59 HA VAL 6 HA VAL 6 -2.767 -2.945 0.616 60 HB VAL 6 HB VAL 6 -4.944 -4.851 1.461 61 1HG1 VAL 6 1HG1 VAL 6 -4.065 -5.684 -0.501 62 2HG1 VAL 6 2HG1 VAL 6 -3.041 -6.465 0.704 63 3HG1 VAL 6 3HG1 VAL 6 -2.452 -5.052 -0.173 64 1HG2 VAL 6 1HG2 VAL 6 -3.449 -5.827 3.041 65 2HG2 VAL 6 2HG2 VAL 6 -3.530 -4.098 3.385 66 3HG2 VAL 6 3HG2 VAL 6 -2.134 -4.766 2.538 67 H VAL 7 H VAL 7 -3.432 -1.568 -1.043 68 HA VAL 7 HA VAL 7 -6.119 -1.859 -2.123 69 HB VAL 7 HB VAL 7 -3.870 -0.196 -3.261 70 1HG1 VAL 7 1HG1 VAL 7 -6.779 -0.470 -3.771 71 2HG1 VAL 7 2HG1 VAL 7 -5.454 -0.167 -4.894 72 3HG1 VAL 7 3HG1 VAL 7 -6.075 1.142 -3.888 73 1HG2 VAL 7 1HG2 VAL 7 -5.832 0.444 -1.075 74 2HG2 VAL 7 2HG2 VAL 7 -5.058 1.699 -2.043 75 3HG2 VAL 7 3HG2 VAL 7 -4.076 0.612 -1.062 76 H ASP 8 H ASP 8 -6.594 -3.334 -3.634 77 HA ASP 8 HA ASP 8 -4.728 -3.932 -5.752 78 1HB ASP 8 2HB ASP 8 -3.841 -5.463 -4.143 79 2HB ASP 8 1HB ASP 8 -5.447 -6.004 -3.671 80 H ASP 9 H ASP 9 -5.726 -4.709 -7.569 81 HA ASP 9 HA ASP 9 -8.634 -4.674 -7.519 82 1HB ASP 9 2HB ASP 9 -7.441 -3.390 -9.249 83 2HB ASP 9 1HB ASP 9 -6.721 -4.876 -9.857 84 H GLU 10 H GLU 10 -7.814 -6.848 -6.164 85 HA GLU 10 HA GLU 10 -9.091 -8.970 -7.478 86 1HB GLU 10 2HB GLU 10 -6.946 -8.950 -8.776 87 2HB GLU 10 1HB GLU 10 -6.097 -9.330 -7.284 88 1HG GLU 10 2HG GLU 10 -6.500 -11.297 -8.711 89 2HG GLU 10 1HG GLU 10 -7.226 -11.437 -7.111 90 H GLU 11 H GLU 11 -8.959 -11.020 -6.219 91 HA GLU 11 HA GLU 11 -8.514 -10.403 -3.378 92 1HB GLU 11 2HB GLU 11 -10.492 -12.113 -4.823 93 2HB GLU 11 1HB GLU 11 -10.033 -12.555 -3.184 94 1HG GLU 11 2HG GLU 11 -10.612 -9.765 -3.263 95 2HG GLU 11 1HG GLU 11 -11.936 -10.652 -4.017 96 H SER 12 H SER 12 -6.282 -11.097 -4.848 97 HA SER 12 HA SER 12 -5.805 -13.932 -4.337 98 1HB SER 12 2HB SER 12 -3.459 -13.035 -5.374 99 2HB SER 12 1HB SER 12 -4.810 -13.607 -6.352 100 HG SER 12 HG SER 12 -5.101 -11.651 -7.056 101 H ILE 13 H ILE 13 -3.383 -11.369 -4.071 102 HA ILE 13 HA ILE 13 -2.088 -12.441 -1.873 103 HB ILE 13 HB ILE 13 -2.222 -9.520 -2.635 104 1HG1 ILE 13 2HG1 ILE 13 -1.521 -10.869 -4.530 105 2HG1 ILE 13 1HG1 ILE 13 -0.131 -10.002 -3.884 106 1HG2 ILE 13 1HG2 ILE 13 0.284 -10.405 -1.533 107 2HG2 ILE 13 2HG2 ILE 13 -1.037 -10.736 -0.413 108 3HG2 ILE 13 3HG2 ILE 13 -0.775 -9.096 -1.006 109 1HD1 ILE 13 1HD1 ILE 13 -0.642 -12.871 -4.068 110 2HD1 ILE 13 2HD1 ILE 13 0.008 -12.344 -2.517 111 3HD1 ILE 13 3HD1 ILE 13 0.882 -11.985 -4.006 112 H THR 14 H THR 14 -4.703 -10.066 -1.980 113 HA THR 14 HA THR 14 -4.802 -9.127 0.569 114 HB THR 14 HB THR 14 -7.303 -9.072 0.302 115 HG1 THR 14 1HG THR 14 -6.724 -10.333 -2.170 116 1HG2 THR 14 1HG2 THR 14 -5.586 -7.448 -0.828 117 2HG2 THR 14 2HG2 THR 14 -7.304 -7.380 -1.222 118 3HG2 THR 14 3HG2 THR 14 -6.182 -8.204 -2.306 119 H SER 15 H SER 15 -6.137 -12.234 -0.529 120 HA SER 15 HA SER 15 -7.143 -13.000 2.004 121 1HB SER 15 2HB SER 15 -7.495 -13.947 -0.494 122 2HB SER 15 1HB SER 15 -6.334 -15.130 0.106 123 HG SER 15 HG SER 15 -8.916 -15.066 0.557 124 H SER 16 H SER 16 -3.990 -13.188 0.554 125 HA SER 16 HA SER 16 -3.038 -15.062 2.577 126 1HB SER 16 2HB SER 16 -2.226 -15.476 0.350 127 2HB SER 16 1HB SER 16 -1.688 -13.806 0.181 128 HG SER 16 HG SER 16 0.097 -14.989 0.707 129 H LEU 17 H LEU 17 -1.712 -12.015 1.288 130 HA LEU 17 HA LEU 17 -0.006 -11.368 3.315 131 1HB LEU 17 2HB LEU 17 0.045 -10.024 1.394 132 2HB LEU 17 1HB LEU 17 -1.667 -9.668 1.483 133 HG LEU 17 HG LEU 17 0.014 -7.801 2.051 134 1HD1 LEU 17 1HD1 LEU 17 -1.651 -6.731 3.126 135 2HD1 LEU 17 2HD1 LEU 17 -1.894 -8.037 4.286 136 3HD1 LEU 17 3HD1 LEU 17 -2.572 -8.162 2.662 137 1HD2 LEU 17 1HD2 LEU 17 1.038 -7.758 4.119 138 2HD2 LEU 17 2HD2 LEU 17 1.209 -9.455 3.669 139 3HD2 LEU 17 3HD2 LEU 17 -0.049 -8.964 4.799 140 H SER 18 H SER 18 -3.382 -10.201 3.108 141 HA SER 18 HA SER 18 -3.592 -8.775 5.388 142 1HB SER 18 2HB SER 18 -5.455 -9.215 3.778 143 2HB SER 18 1HB SER 18 -5.679 -10.793 4.530 144 HG SER 18 HG SER 18 -5.822 -8.326 5.923 145 H ALA 19 H ALA 19 -3.993 -12.319 5.240 146 HA ALA 19 HA ALA 19 -4.425 -12.777 7.951 147 1HB ALA 19 1HB ALA 19 -4.300 -14.361 5.780 148 2HB ALA 19 2HB ALA 19 -4.272 -14.972 7.434 149 3HB ALA 19 3HB ALA 19 -2.763 -14.767 6.544 150 H ILE 20 H ILE 20 -1.440 -12.377 6.150 151 HA ILE 20 HA ILE 20 0.343 -13.041 8.257 152 HB ILE 20 HB ILE 20 0.750 -11.404 5.753 153 1HG1 ILE 20 2HG1 ILE 20 2.078 -13.997 6.056 154 2HG1 ILE 20 1HG1 ILE 20 0.319 -14.080 5.991 155 1HG2 ILE 20 1HG2 ILE 20 3.228 -12.136 6.343 156 2HG2 ILE 20 2HG2 ILE 20 2.585 -12.054 7.984 157 3HG2 ILE 20 3HG2 ILE 20 2.524 -10.633 6.939 158 1HD1 ILE 20 1HD1 ILE 20 1.755 -12.441 3.970 159 2HD1 ILE 20 2HD1 ILE 20 0.229 -13.314 3.841 160 3HD1 ILE 20 3HD1 ILE 20 1.755 -14.197 3.812 161 H LEU 21 H LEU 21 -0.052 -9.859 6.734 162 HA LEU 21 HA LEU 21 1.114 -8.340 8.719 163 1HB LEU 21 2HB LEU 21 0.668 -6.691 7.300 164 2HB LEU 21 1HB LEU 21 -0.052 -7.899 6.278 165 HG LEU 21 HG LEU 21 -1.480 -5.992 6.462 166 1HD1 LEU 21 1HD1 LEU 21 -2.180 -8.568 6.673 167 2HD1 LEU 21 2HD1 LEU 21 -3.342 -7.247 6.574 168 3HD1 LEU 21 3HD1 LEU 21 -2.919 -7.934 8.139 169 1HD2 LEU 21 1HD2 LEU 21 -2.117 -6.385 9.291 170 2HD2 LEU 21 2HD2 LEU 21 -1.876 -4.898 8.377 171 3HD2 LEU 21 3HD2 LEU 21 -0.487 -5.789 8.993 172 H GLU 22 H GLU 22 -1.983 -9.869 8.734 173 HA GLU 22 HA GLU 22 -3.063 -8.250 10.854 174 1HB GLU 22 2HB GLU 22 -3.939 -10.726 9.437 175 2HB GLU 22 1HB GLU 22 -4.681 -10.304 10.971 176 1HG GLU 22 2HG GLU 22 -5.245 -8.077 10.007 177 2HG GLU 22 1HG GLU 22 -4.669 -8.668 8.450 178 H GLU 23 H GLU 23 -1.193 -11.186 10.572 179 HA GLU 23 HA GLU 23 -1.610 -12.034 13.276 180 1HB GLU 23 2HB GLU 23 -1.072 -13.741 11.719 181 2HB GLU 23 1HB GLU 23 0.300 -12.841 11.087 182 1HG GLU 23 2HG GLU 23 1.678 -13.724 12.573 183 2HG GLU 23 1HG GLU 23 0.587 -13.366 13.910 184 H GLU 24 H GLU 24 0.798 -10.182 11.502 185 HA GLU 24 HA GLU 24 2.758 -10.007 13.481 186 1HB GLU 24 2HB GLU 24 1.990 -8.218 11.202 187 2HB GLU 24 1HB GLU 24 3.289 -7.776 12.302 188 1HG GLU 24 2HG GLU 24 3.204 -10.362 10.773 189 2HG GLU 24 1HG GLU 24 4.016 -8.906 10.204 190 H GLY 25 H GLY 25 -0.362 -8.597 13.348 191 1HA GLY 25 2HA GLY 25 -1.377 -7.601 15.245 192 2HA GLY 25 1HA GLY 25 0.217 -7.119 15.801 193 H TYR 26 H TYR 26 -2.123 -6.530 13.203 194 HA TYR 26 HA TYR 26 -1.536 -3.672 13.369 195 1HB TYR 26 2HB TYR 26 -1.263 -5.355 10.887 196 2HB TYR 26 1HB TYR 26 -1.484 -3.616 10.819 197 HD1 TYR 26 1HD TYR 26 0.888 -5.938 10.346 198 HD2 TYR 26 2HD TYR 26 0.240 -2.506 12.768 199 HE1 TYR 26 1HE TYR 26 3.316 -5.619 10.528 200 HE2 TYR 26 2HE TYR 26 2.668 -2.172 12.957 201 HH TYR 26 HH TYR 26 4.934 -4.548 11.937 202 H HIS 27 H HIS 27 -2.959 -2.579 11.557 203 HA HIS 27 HA HIS 27 -5.665 -3.740 11.630 204 1HB HIS 27 2HB HIS 27 -4.729 -1.199 12.635 205 2HB HIS 27 1HB HIS 27 -5.854 -0.927 11.311 206 HD1 HIS 27 1HD HIS 27 -6.376 -3.898 13.492 207 HD2 HIS 27 2HD HIS 27 -7.798 -0.010 13.140 208 HE1 HIS 27 1HE HIS 27 -8.418 -3.794 14.955 209 HE2 HIS 27 2HE HIS 27 -9.194 -1.402 14.814 210 HA PRO 28 HA PRO 28 -4.416 -2.987 7.314 211 1HB PRO 28 2HB PRO 28 -4.841 -5.521 6.410 212 2HB PRO 28 1HB PRO 28 -3.333 -4.973 7.139 213 1HG PRO 28 2HG PRO 28 -5.340 -6.788 8.207 214 2HG PRO 28 1HG PRO 28 -3.698 -6.498 8.763 215 1HD PRO 28 2HD PRO 28 -6.166 -5.472 9.855 216 2HD PRO 28 1HD PRO 28 -4.519 -5.315 10.489 217 H ASP 29 H ASP 29 -5.670 -2.363 5.709 218 HA ASP 29 HA ASP 29 -8.427 -3.372 5.551 219 1HB ASP 29 2HB ASP 29 -8.359 -1.066 6.498 220 2HB ASP 29 1HB ASP 29 -7.555 -0.522 5.030 221 H THR 30 H THR 30 -8.869 -4.240 3.611 222 HA THR 30 HA THR 30 -6.937 -3.801 1.465 223 HB THR 30 HB THR 30 -7.873 -5.797 0.432 224 HG1 THR 30 1HG THR 30 -9.541 -6.925 1.536 225 1HG2 THR 30 1HG2 THR 30 -6.304 -6.645 1.817 226 2HG2 THR 30 2HG2 THR 30 -7.727 -7.363 2.569 227 3HG2 THR 30 3HG2 THR 30 -7.008 -5.906 3.255 228 H ALA 31 H ALA 31 -7.402 -2.886 -0.443 229 HA ALA 31 HA ALA 31 -10.126 -1.828 -0.804 230 1HB ALA 31 1HB ALA 31 -9.002 0.110 -0.946 231 2HB ALA 31 2HB ALA 31 -8.577 -0.431 -2.570 232 3HB ALA 31 3HB ALA 31 -7.459 -0.695 -1.232 233 H LYS 32 H LYS 32 -10.445 -1.352 -3.329 234 HA LYS 32 HA LYS 32 -9.710 -3.827 -4.742 235 1HB LYS 32 2HB LYS 32 -12.224 -2.489 -5.542 236 2HB LYS 32 1HB LYS 32 -11.841 -4.201 -5.443 237 1HG LYS 32 2HG LYS 32 -12.276 -4.275 -3.137 238 2HG LYS 32 1HG LYS 32 -12.249 -2.517 -2.997 239 1HD LYS 32 2HD LYS 32 -14.245 -2.609 -4.655 240 2HD LYS 32 1HD LYS 32 -14.369 -4.293 -4.143 241 1HE LYS 32 2HE LYS 32 -14.191 -3.142 -1.743 242 2HE LYS 32 1HE LYS 32 -14.905 -1.799 -2.635 243 1HZ LYS 32 1HZ LYS 32 -16.615 -3.450 -3.415 244 2HZ LYS 32 2HZ LYS 32 -16.687 -3.041 -1.776 245 3HZ LYS 32 3HZ LYS 32 -16.012 -4.519 -2.251 246 H THR 33 H THR 33 -9.483 -0.488 -4.749 247 HA THR 33 HA THR 33 -8.177 -0.413 -7.248 248 HB THR 33 HB THR 33 -10.107 1.482 -7.873 249 HG1 THR 33 1HG THR 33 -11.676 0.757 -6.574 250 1HG2 THR 33 1HG2 THR 33 -9.347 0.318 -9.681 251 2HG2 THR 33 2HG2 THR 33 -10.939 -0.410 -9.468 252 3HG2 THR 33 3HG2 THR 33 -9.501 -1.245 -8.881 253 H LEU 34 H LEU 34 -8.262 2.223 -7.891 254 HA LEU 34 HA LEU 34 -6.926 3.407 -5.630 255 1HB LEU 34 2HB LEU 34 -7.552 4.592 -8.339 256 2HB LEU 34 1HB LEU 34 -6.465 5.278 -7.146 257 HG LEU 34 HG LEU 34 -6.045 2.626 -8.529 258 1HD1 LEU 34 1HD1 LEU 34 -4.216 4.874 -9.024 259 2HD1 LEU 34 2HD1 LEU 34 -5.827 5.034 -9.724 260 3HD1 LEU 34 3HD1 LEU 34 -4.827 3.638 -10.124 261 1HD2 LEU 34 1HD2 LEU 34 -5.029 3.450 -6.130 262 2HD2 LEU 34 2HD2 LEU 34 -3.785 3.981 -7.262 263 3HD2 LEU 34 3HD2 LEU 34 -4.266 2.287 -7.213 264 H ARG 35 H ARG 35 -9.998 3.699 -7.259 265 HA ARG 35 HA ARG 35 -10.807 6.116 -5.980 266 1HB ARG 35 2HB ARG 35 -12.268 3.943 -7.463 267 2HB ARG 35 1HB ARG 35 -13.142 5.242 -6.665 268 1HG ARG 35 2HG ARG 35 -11.045 5.618 -8.791 269 2HG ARG 35 1HG ARG 35 -12.789 5.667 -9.055 270 1HD ARG 35 2HD ARG 35 -12.902 7.783 -8.374 271 2HD ARG 35 1HD ARG 35 -12.024 7.414 -6.890 272 HE ARG 35 HE ARG 35 -10.110 8.220 -7.857 273 1HH1 ARG 35 1HH1 ARG 35 -12.518 7.731 -10.338 274 2HH1 ARG 35 2HH1 ARG 35 -11.591 8.521 -11.568 275 1HH2 ARG 35 1HH2 ARG 35 -8.891 9.260 -9.475 276 2HH2 ARG 35 2HH2 ARG 35 -9.531 9.389 -11.079 277 H GLU 36 H GLU 36 -11.339 2.670 -5.380 278 HA GLU 36 HA GLU 36 -13.000 2.988 -3.117 279 1HB GLU 36 2HB GLU 36 -12.143 0.851 -4.634 280 2HB GLU 36 1HB GLU 36 -11.309 0.590 -3.109 281 1HG GLU 36 2HG GLU 36 -13.351 -0.594 -3.004 282 2HG GLU 36 1HG GLU 36 -13.515 0.817 -1.959 283 H ALA 37 H ALA 37 -9.522 2.900 -3.576 284 HA ALA 37 HA ALA 37 -8.881 2.681 -0.799 285 1HB ALA 37 1HB ALA 37 -6.643 3.742 -1.855 286 2HB ALA 37 2HB ALA 37 -7.395 3.100 -3.315 287 3HB ALA 37 3HB ALA 37 -7.051 2.029 -1.958 288 H GLU 38 H GLU 38 -8.921 5.393 -3.113 289 HA GLU 38 HA GLU 38 -8.074 7.439 -1.505 290 1HB GLU 38 2HB GLU 38 -10.138 7.360 -3.677 291 2HB GLU 38 1HB GLU 38 -9.784 8.858 -2.827 292 1HG GLU 38 2HG GLU 38 -7.494 8.786 -3.544 293 2HG GLU 38 1HG GLU 38 -7.731 7.198 -4.270 294 H LYS 39 H LYS 39 -11.362 6.112 -1.715 295 HA LYS 39 HA LYS 39 -12.561 7.853 0.129 296 1HB LYS 39 2HB LYS 39 -13.883 6.373 -1.293 297 2HB LYS 39 1HB LYS 39 -13.201 4.962 -0.496 298 1HG LYS 39 2HG LYS 39 -14.620 6.969 1.171 299 2HG LYS 39 1HG LYS 39 -15.574 5.897 0.144 300 1HD LYS 39 2HD LYS 39 -13.892 4.112 1.260 301 2HD LYS 39 1HD LYS 39 -13.990 5.299 2.561 302 1HE LYS 39 2HE LYS 39 -15.841 4.191 3.166 303 2HE LYS 39 1HE LYS 39 -16.605 5.057 1.833 304 1HZ LYS 39 1HZ LYS 39 -15.242 2.578 1.151 305 2HZ LYS 39 2HZ LYS 39 -16.699 3.209 0.568 306 3HZ LYS 39 3HZ LYS 39 -16.657 2.421 2.065 307 H LYS 40 H LYS 40 -11.232 4.585 0.602 308 HA LYS 40 HA LYS 40 -11.491 4.480 3.379 309 1HB LYS 40 2HB LYS 40 -9.297 3.199 1.741 310 2HB LYS 40 1HB LYS 40 -9.878 2.676 3.316 311 1HG LYS 40 2HG LYS 40 -11.930 2.825 1.221 312 2HG LYS 40 1HG LYS 40 -10.670 1.616 0.964 313 1HD LYS 40 2HD LYS 40 -11.130 0.974 3.433 314 2HD LYS 40 1HD LYS 40 -12.647 1.845 3.202 315 1HE LYS 40 2HE LYS 40 -12.887 0.378 1.084 316 2HE LYS 40 1HE LYS 40 -11.665 -0.640 1.847 317 1HZ LYS 40 1HZ LYS 40 -14.205 0.148 3.164 318 2HZ LYS 40 2HZ LYS 40 -13.083 -0.997 3.705 319 3HZ LYS 40 3HZ LYS 40 -13.999 -1.300 2.314 320 H ILE 41 H ILE 41 -9.150 6.094 1.371 321 HA ILE 41 HA ILE 41 -7.396 6.640 3.640 322 HB ILE 41 HB ILE 41 -7.120 7.513 0.766 323 1HG1 ILE 41 2HG1 ILE 41 -5.543 5.350 2.147 324 2HG1 ILE 41 1HG1 ILE 41 -7.048 4.997 1.307 325 1HG2 ILE 41 1HG2 ILE 41 -5.547 8.004 3.208 326 2HG2 ILE 41 2HG2 ILE 41 -5.688 8.963 1.735 327 3HG2 ILE 41 3HG2 ILE 41 -4.622 7.558 1.773 328 1HD1 ILE 41 1HD1 ILE 41 -5.815 6.315 -0.637 329 2HD1 ILE 41 2HD1 ILE 41 -5.596 4.584 -0.375 330 3HD1 ILE 41 3HD1 ILE 41 -4.397 5.727 0.230 331 H LYS 42 H LYS 42 -10.131 8.003 2.258 332 HA LYS 42 HA LYS 42 -9.391 10.762 2.773 333 1HB LYS 42 2HB LYS 42 -11.715 9.387 1.534 334 2HB LYS 42 1HB LYS 42 -11.961 10.992 2.207 335 1HG LYS 42 2HG LYS 42 -9.612 10.708 0.468 336 2HG LYS 42 1HG LYS 42 -11.174 10.508 -0.326 337 1HD LYS 42 2HD LYS 42 -11.442 12.735 1.368 338 2HD LYS 42 1HD LYS 42 -9.878 12.914 0.570 339 1HE LYS 42 2HE LYS 42 -11.993 12.058 -1.244 340 2HE LYS 42 1HE LYS 42 -12.329 13.610 -0.480 341 1HZ LYS 42 1HZ LYS 42 -9.963 12.880 -2.110 342 2HZ LYS 42 2HZ LYS 42 -10.052 14.299 -1.194 343 3HZ LYS 42 3HZ LYS 42 -11.141 14.042 -2.462 344 H GLU 43 H GLU 43 -10.013 8.375 4.782 345 HA GLU 43 HA GLU 43 -11.186 10.136 6.773 346 1HB GLU 43 2HB GLU 43 -12.380 7.420 6.192 347 2HB GLU 43 1HB GLU 43 -12.887 8.532 7.456 348 1HG GLU 43 2HG GLU 43 -13.632 10.127 5.798 349 2HG GLU 43 1HG GLU 43 -13.047 9.084 4.501 350 H LEU 44 H LEU 44 -10.024 6.850 6.085 351 HA LEU 44 HA LEU 44 -9.104 6.480 8.795 352 1HB LEU 44 2HB LEU 44 -9.649 4.819 6.548 353 2HB LEU 44 1HB LEU 44 -7.981 4.552 7.016 354 HG LEU 44 HG LEU 44 -9.493 2.956 8.093 355 1HD1 LEU 44 1HD1 LEU 44 -8.337 2.943 10.030 356 2HD1 LEU 44 2HD1 LEU 44 -8.690 4.635 10.382 357 3HD1 LEU 44 3HD1 LEU 44 -7.420 4.220 9.230 358 1HD2 LEU 44 1HD2 LEU 44 -11.542 3.832 8.480 359 2HD2 LEU 44 2HD2 LEU 44 -10.910 5.441 8.829 360 3HD2 LEU 44 3HD2 LEU 44 -10.837 4.180 10.058 361 H PHE 45 H PHE 45 -7.283 7.351 9.514 362 HA PHE 45 HA PHE 45 -5.326 8.486 7.801 363 1HB PHE 45 2HB PHE 45 -5.922 9.159 10.212 364 2HB PHE 45 1HB PHE 45 -4.868 7.837 10.705 365 HD1 PHE 45 1HD PHE 45 -5.039 11.194 9.339 366 HD2 PHE 45 2HD PHE 45 -2.463 7.923 10.223 367 HE1 PHE 45 1HE PHE 45 -3.087 12.677 9.124 368 HE2 PHE 45 2HE PHE 45 -0.507 9.400 10.009 369 HZ PHE 45 HZ PHE 45 -0.818 11.780 9.459 370 H PHE 46 H PHE 46 -5.037 6.444 6.532 371 HA PHE 46 HA PHE 46 -3.638 4.245 7.659 372 1HB PHE 46 2HB PHE 46 -4.134 5.174 4.841 373 2HB PHE 46 1HB PHE 46 -3.104 3.787 5.176 374 HD1 PHE 46 1HD PHE 46 -6.057 4.357 3.883 375 HD2 PHE 46 2HD PHE 46 -4.492 2.440 7.344 376 HE1 PHE 46 1HE PHE 46 -8.044 2.911 3.975 377 HE2 PHE 46 2HE PHE 46 -6.478 0.988 7.442 378 HZ PHE 46 HZ PHE 46 -8.258 1.227 5.758 379 HA PRO 47 HA PRO 47 0.308 6.412 7.684 380 1HB PRO 47 2HB PRO 47 1.500 4.117 8.927 381 2HB PRO 47 1HB PRO 47 1.101 5.667 9.659 382 1HG PRO 47 2HG PRO 47 -0.153 3.263 10.230 383 2HG PRO 47 1HG PRO 47 -0.812 4.864 10.567 384 1HD PRO 47 2HD PRO 47 -1.461 2.972 8.376 385 2HD PRO 47 1HD PRO 47 -2.501 4.155 9.192 386 H VAL 48 H VAL 48 -0.152 3.032 6.755 387 HA VAL 48 HA VAL 48 1.938 3.379 4.711 388 HB VAL 48 HB VAL 48 1.260 0.759 6.033 389 1HG1 VAL 48 1HG1 VAL 48 3.114 1.648 3.916 390 2HG1 VAL 48 2HG1 VAL 48 2.300 0.100 4.137 391 3HG1 VAL 48 3HG1 VAL 48 3.745 0.478 5.074 392 1HG2 VAL 48 1HG2 VAL 48 2.353 2.704 7.443 393 2HG2 VAL 48 2HG2 VAL 48 3.806 2.172 6.601 394 3HG2 VAL 48 3HG2 VAL 48 2.896 1.034 7.592 395 H ILE 49 H ILE 49 1.289 3.112 2.698 396 HA ILE 49 HA ILE 49 -1.253 1.717 2.184 397 HB ILE 49 HB ILE 49 -0.004 3.739 0.336 398 1HG1 ILE 49 2HG1 ILE 49 -0.388 4.877 2.456 399 2HG1 ILE 49 1HG1 ILE 49 -1.583 5.400 1.273 400 1HG2 ILE 49 1HG2 ILE 49 -2.920 3.227 0.528 401 2HG2 ILE 49 2HG2 ILE 49 -1.911 1.989 -0.218 402 3HG2 ILE 49 3HG2 ILE 49 -1.929 3.625 -0.875 403 1HD1 ILE 49 1HD1 ILE 49 -2.318 4.864 3.690 404 2HD1 ILE 49 2HD1 ILE 49 -2.223 3.184 3.163 405 3HD1 ILE 49 3HD1 ILE 49 -3.306 4.307 2.339 406 H VAL 50 H VAL 50 -1.219 -0.027 0.904 407 HA VAL 50 HA VAL 50 1.211 -0.523 -0.693 408 HB VAL 50 HB VAL 50 -0.418 -2.603 0.770 409 1HG1 VAL 50 1HG1 VAL 50 2.168 -2.923 -0.749 410 2HG1 VAL 50 2HG1 VAL 50 0.579 -3.354 -1.382 411 3HG1 VAL 50 3HG1 VAL 50 1.224 -4.194 0.028 412 1HG2 VAL 50 1HG2 VAL 50 2.402 -2.300 1.451 413 2HG2 VAL 50 2HG2 VAL 50 0.992 -2.450 2.498 414 3HG2 VAL 50 3HG2 VAL 50 1.432 -0.878 1.833 415 H LEU 51 H LEU 51 0.645 -0.218 -2.725 416 HA LEU 51 HA LEU 51 -1.998 -1.028 -3.659 417 1HB LEU 51 2HB LEU 51 -1.283 1.175 -4.313 418 2HB LEU 51 1HB LEU 51 0.219 0.546 -4.962 419 HG LEU 51 HG LEU 51 -1.334 -0.797 -6.571 420 1HD1 LEU 51 1HD1 LEU 51 -3.417 0.365 -7.097 421 2HD1 LEU 51 2HD1 LEU 51 -3.151 1.459 -5.738 422 3HD1 LEU 51 3HD1 LEU 51 -3.425 -0.259 -5.446 423 1HD2 LEU 51 1HD2 LEU 51 -0.569 2.085 -6.678 424 2HD2 LEU 51 2HD2 LEU 51 -1.525 1.389 -7.987 425 3HD2 LEU 51 3HD2 LEU 51 0.059 0.718 -7.598 426 H ASP 52 H ASP 52 -2.334 -2.463 -5.342 427 HA ASP 52 HA ASP 52 -0.030 -4.128 -6.106 428 1HB ASP 52 2HB ASP 52 -1.916 -5.029 -4.422 429 2HB ASP 52 1HB ASP 52 -2.709 -5.405 -5.949 430 H VAL 53 H VAL 53 0.270 -3.320 -8.129 431 HA VAL 53 HA VAL 53 -1.810 -2.634 -9.918 432 HB VAL 53 HB VAL 53 1.025 -3.368 -10.650 433 1HG1 VAL 53 1HG1 VAL 53 -0.261 -3.212 -12.613 434 2HG1 VAL 53 2HG1 VAL 53 0.566 -1.661 -12.467 435 3HG1 VAL 53 3HG1 VAL 53 -1.135 -1.798 -12.023 436 1HG2 VAL 53 1HG2 VAL 53 1.536 -1.694 -9.220 437 2HG2 VAL 53 2HG2 VAL 53 -0.086 -1.003 -9.279 438 3HG2 VAL 53 3HG2 VAL 53 1.055 -0.684 -10.584 439 H TRP 54 H TRP 54 -3.084 -4.667 -9.577 440 HA TRP 54 HA TRP 54 -2.102 -7.063 -10.846 441 1HB TRP 54 2HB TRP 54 -3.554 -7.398 -8.982 442 2HB TRP 54 1HB TRP 54 -4.767 -6.305 -9.639 443 HD1 TRP 54 HD TRP 54 -6.704 -7.427 -10.900 444 HE1 TRP 54 1HE TRP 54 -7.150 -9.769 -11.871 445 HE3 TRP 54 3HE TRP 54 -2.104 -9.503 -10.139 446 HZ2 TRP 54 2HZ TRP 54 -5.733 -12.181 -12.263 447 HZ3 TRP 54 3HZ TRP 54 -1.725 -11.832 -10.839 448 HH2 TRP 54 HH TRP 54 -3.504 -13.142 -11.880 449 H MET 55 H MET 55 -5.350 -5.907 -11.489 450 HA MET 55 HA MET 55 -4.667 -5.366 -14.279 451 1HB MET 55 2HB MET 55 -5.317 -7.747 -14.149 452 2HB MET 55 1HB MET 55 -6.858 -7.276 -13.447 453 1HG MET 55 2HG MET 55 -7.724 -7.032 -15.460 454 2HG MET 55 1HG MET 55 -6.512 -5.815 -15.850 455 1HE MET 55 1HE MET 55 -6.217 -10.312 -16.564 456 2HE MET 55 2HE MET 55 -7.702 -9.496 -17.054 457 3HE MET 55 3HE MET 55 -7.190 -9.455 -15.367 458 HA PRO 56 HA PRO 56 -8.078 -2.683 -12.360 459 1HB PRO 56 2HB PRO 56 -6.707 -0.493 -11.633 460 2HB PRO 56 1HB PRO 56 -6.847 -1.896 -10.566 461 1HG PRO 56 2HG PRO 56 -4.577 -1.085 -12.339 462 2HG PRO 56 1HG PRO 56 -4.533 -1.699 -10.677 463 1HD PRO 56 2HD PRO 56 -4.058 -3.248 -12.883 464 2HD PRO 56 1HD PRO 56 -4.691 -3.879 -11.350 465 H ASP 57 H ASP 57 -8.151 -0.050 -12.895 466 HA ASP 57 HA ASP 57 -7.575 0.113 -15.781 467 1HB ASP 57 2HB ASP 57 -9.851 1.425 -14.282 468 2HB ASP 57 1HB ASP 57 -9.566 1.501 -16.018 469 H GLY 58 H GLY 58 -7.880 1.985 -12.783 470 1HA GLY 58 2HA GLY 58 -6.886 4.411 -13.888 471 2HA GLY 58 1HA GLY 58 -7.017 4.031 -12.178 472 H ASP 59 H ASP 59 -4.893 5.492 -13.168 473 HA ASP 59 HA ASP 59 -2.646 3.624 -13.323 474 1HB ASP 59 2HB ASP 59 -3.184 6.202 -14.440 475 2HB ASP 59 1HB ASP 59 -1.753 6.326 -13.421 476 H GLY 60 H GLY 60 -1.564 3.103 -11.549 477 1HA GLY 60 2HA GLY 60 -2.052 4.400 -9.050 478 2HA GLY 60 1HA GLY 60 -0.902 3.105 -9.341 479 H VAL 61 H VAL 61 0.271 4.868 -11.560 480 HA VAL 61 HA VAL 61 2.441 5.871 -10.150 481 HB VAL 61 HB VAL 61 1.411 6.734 -12.857 482 1HG1 VAL 61 1HG1 VAL 61 4.153 7.024 -11.646 483 2HG1 VAL 61 2HG1 VAL 61 2.998 8.330 -11.914 484 3HG1 VAL 61 3HG1 VAL 61 3.689 7.467 -13.289 485 1HG2 VAL 61 1HG2 VAL 61 3.583 4.739 -12.260 486 2HG2 VAL 61 2HG2 VAL 61 2.799 5.069 -13.805 487 3HG2 VAL 61 3HG2 VAL 61 1.901 4.276 -12.512 488 H ASN 62 H ASN 62 -0.545 7.446 -11.171 489 HA ASN 62 HA ASN 62 0.328 10.024 -10.175 490 1HB ASN 62 2HB ASN 62 -1.663 9.094 -12.001 491 2HB ASN 62 1HB ASN 62 -2.460 10.035 -10.744 492 1HD2 ASN 62 1HD2 ASN 62 -0.113 10.082 -13.314 493 2HD2 ASN 62 2HD2 ASN 62 -0.019 11.801 -13.464 494 H PHE 63 H PHE 63 -1.422 7.288 -9.020 495 HA PHE 63 HA PHE 63 -3.015 8.549 -7.064 496 1HB PHE 63 2HB PHE 63 -3.371 6.223 -7.820 497 2HB PHE 63 1HB PHE 63 -1.870 5.749 -7.030 498 HD1 PHE 63 1HD PHE 63 -4.537 8.027 -5.809 499 HD2 PHE 63 2HD PHE 63 -2.537 4.299 -5.346 500 HE1 PHE 63 1HE PHE 63 -5.764 7.634 -3.714 501 HE2 PHE 63 2HE PHE 63 -3.761 3.898 -3.250 502 HZ PHE 63 HZ PHE 63 -5.377 5.568 -2.432 503 H ILE 64 H ILE 64 0.278 7.267 -6.985 504 HA ILE 64 HA ILE 64 0.873 7.314 -4.320 505 HB ILE 64 HB ILE 64 2.689 8.321 -6.514 506 1HG1 ILE 64 2HG1 ILE 64 3.199 5.628 -5.606 507 2HG1 ILE 64 1HG1 ILE 64 1.535 5.777 -6.164 508 1HG2 ILE 64 1HG2 ILE 64 4.318 7.124 -4.738 509 2HG2 ILE 64 2HG2 ILE 64 3.083 7.756 -3.650 510 3HG2 ILE 64 3HG2 ILE 64 3.955 8.850 -4.725 511 1HD1 ILE 64 1HD1 ILE 64 3.919 6.648 -7.771 512 2HD1 ILE 64 2HD1 ILE 64 2.245 6.511 -8.309 513 3HD1 ILE 64 3HD1 ILE 64 3.161 5.061 -7.900 514 H ASP 65 H ASP 65 0.332 10.043 -6.415 515 HA ASP 65 HA ASP 65 1.472 12.012 -4.707 516 1HB ASP 65 2HB ASP 65 0.509 11.997 -7.288 517 2HB ASP 65 1HB ASP 65 -0.720 12.923 -6.432 518 H PHE 66 H PHE 66 -1.911 11.013 -5.313 519 HA PHE 66 HA PHE 66 -3.210 12.688 -3.577 520 1HB PHE 66 2HB PHE 66 -4.555 11.308 -4.929 521 2HB PHE 66 1HB PHE 66 -3.738 9.842 -4.404 522 HD1 PHE 66 1HD PHE 66 -4.248 8.852 -2.222 523 HD2 PHE 66 2HD PHE 66 -6.365 12.242 -3.682 524 HE1 PHE 66 1HE PHE 66 -6.013 8.462 -0.555 525 HE2 PHE 66 2HE PHE 66 -8.134 11.860 -2.015 526 HZ PHE 66 HZ PHE 66 -7.960 9.968 -0.448 527 H ILE 67 H ILE 67 -1.510 9.677 -2.842 528 HA ILE 67 HA ILE 67 -2.253 9.455 -0.146 529 HB ILE 67 HB ILE 67 0.230 8.528 -1.591 530 1HG1 ILE 67 2HG1 ILE 67 -0.946 6.279 -1.038 531 2HG1 ILE 67 1HG1 ILE 67 -2.372 7.273 -0.764 532 1HG2 ILE 67 1HG2 ILE 67 1.146 8.452 0.477 533 2HG2 ILE 67 2HG2 ILE 67 0.201 6.967 0.591 534 3HG2 ILE 67 3HG2 ILE 67 -0.420 8.463 1.289 535 1HD1 ILE 67 1HD1 ILE 67 -0.839 7.491 -3.317 536 2HD1 ILE 67 2HD1 ILE 67 -2.527 7.883 -2.988 537 3HD1 ILE 67 3HD1 ILE 67 -2.012 6.199 -3.071 538 H LYS 68 H LYS 68 0.570 11.051 -1.635 539 HA LYS 68 HA LYS 68 1.503 12.057 0.888 540 1HB LYS 68 2HB LYS 68 2.282 12.769 -1.947 541 2HB LYS 68 1HB LYS 68 3.109 13.347 -0.507 542 1HG LYS 68 2HG LYS 68 2.804 10.427 -0.715 543 2HG LYS 68 1HG LYS 68 3.863 11.182 -1.909 544 1HD LYS 68 2HD LYS 68 4.605 12.406 0.443 545 2HD LYS 68 1HD LYS 68 4.264 10.750 0.949 546 1HE LYS 68 2HE LYS 68 5.685 10.337 -1.333 547 2HE LYS 68 1HE LYS 68 6.432 11.811 -0.722 548 1HZ LYS 68 1HZ LYS 68 6.997 10.747 1.290 549 2HZ LYS 68 2HZ LYS 68 7.443 9.672 0.062 550 3HZ LYS 68 3HZ LYS 68 6.031 9.399 0.953 551 H GLU 69 H GLU 69 -0.800 13.063 -1.439 552 HA GLU 69 HA GLU 69 -0.700 15.861 -1.020 553 1HB GLU 69 2HB GLU 69 -1.814 14.675 -2.944 554 2HB GLU 69 1HB GLU 69 -3.109 14.244 -1.836 555 1HG GLU 69 2HG GLU 69 -3.672 16.547 -1.498 556 2HG GLU 69 1HG GLU 69 -2.270 17.069 -2.431 557 H ASN 70 H ASN 70 -2.813 13.328 0.299 558 HA ASN 70 HA ASN 70 -3.578 15.190 2.447 559 1HB ASN 70 2HB ASN 70 -5.106 12.705 1.698 560 2HB ASN 70 1HB ASN 70 -5.668 14.103 2.611 561 1HD2 ASN 70 1HD2 ASN 70 -4.491 13.138 -0.580 562 2HD2 ASN 70 2HD2 ASN 70 -5.441 14.272 -1.470 563 H SER 71 H SER 71 -1.284 13.108 2.099 564 HA SER 71 HA SER 71 -1.294 12.286 4.847 565 1HB SER 71 2HB SER 71 -2.170 10.430 2.790 566 2HB SER 71 1HB SER 71 -0.742 9.828 3.632 567 HG SER 71 HG SER 71 -3.317 10.237 4.564 568 HA PRO 72 HA PRO 72 2.829 13.036 2.779 569 1HB PRO 72 2HB PRO 72 3.234 14.988 4.916 570 2HB PRO 72 1HB PRO 72 3.335 15.214 3.169 571 1HG PRO 72 2HG PRO 72 1.340 16.269 4.659 572 2HG PRO 72 1HG PRO 72 1.112 15.760 2.976 573 1HD PRO 72 2HD PRO 72 0.356 14.348 5.506 574 2HD PRO 72 1HD PRO 72 -0.550 14.498 3.984 575 H ASP 73 H ASP 73 1.681 12.382 5.927 576 HA ASP 73 HA ASP 73 4.305 11.478 6.848 577 1HB ASP 73 2HB ASP 73 2.052 12.653 8.140 578 2HB ASP 73 1HB ASP 73 2.353 11.071 8.850 579 H SER 74 H SER 74 2.704 10.077 4.809 580 HA SER 74 HA SER 74 2.276 7.532 6.232 581 1HB SER 74 2HB SER 74 0.196 8.391 5.268 582 2HB SER 74 1HB SER 74 0.965 8.514 3.686 583 HG SER 74 HG SER 74 -0.162 6.369 4.877 584 H VAL 75 H VAL 75 2.293 5.719 4.314 585 HA VAL 75 HA VAL 75 4.819 6.118 2.853 586 HB VAL 75 HB VAL 75 4.002 3.547 4.211 587 1HG1 VAL 75 1HG1 VAL 75 6.096 4.290 2.273 588 2HG1 VAL 75 2HG1 VAL 75 5.345 2.726 2.590 589 3HG1 VAL 75 3HG1 VAL 75 6.637 3.312 3.639 590 1HG2 VAL 75 1HG2 VAL 75 4.984 5.772 5.454 591 2HG2 VAL 75 2HG2 VAL 75 6.462 4.890 5.068 592 3HG2 VAL 75 3HG2 VAL 75 5.197 4.117 6.023 593 H VAL 76 H VAL 76 4.955 5.350 0.857 594 HA VAL 76 HA VAL 76 2.597 3.945 -0.238 595 HB VAL 76 HB VAL 76 4.222 5.703 -2.021 596 1HG1 VAL 76 1HG1 VAL 76 2.550 4.281 -3.020 597 2HG1 VAL 76 2HG1 VAL 76 2.040 5.964 -3.143 598 3HG1 VAL 76 3HG1 VAL 76 1.318 4.911 -1.927 599 1HG2 VAL 76 1HG2 VAL 76 2.184 6.663 -0.033 600 2HG2 VAL 76 2HG2 VAL 76 2.570 7.555 -1.505 601 3HG2 VAL 76 3HG2 VAL 76 3.822 7.262 -0.297 602 H ILE 77 H ILE 77 3.570 1.929 -0.028 603 HA ILE 77 HA ILE 77 6.157 1.356 -1.091 604 HB ILE 77 HB ILE 77 3.944 -0.567 -0.355 605 1HG1 ILE 77 2HG1 ILE 77 4.603 0.898 1.517 606 2HG1 ILE 77 1HG1 ILE 77 5.090 -0.772 1.795 607 1HG2 ILE 77 1HG2 ILE 77 5.496 -1.735 -1.693 608 2HG2 ILE 77 2HG2 ILE 77 5.915 -2.126 -0.025 609 3HG2 ILE 77 3HG2 ILE 77 6.873 -0.947 -0.920 610 1HD1 ILE 77 1HD1 ILE 77 7.347 0.068 0.738 611 2HD1 ILE 77 2HD1 ILE 77 6.977 0.320 2.443 612 3HD1 ILE 77 3HD1 ILE 77 6.750 1.633 1.289 613 H VAL 78 H VAL 78 3.024 -0.062 -2.067 614 HA VAL 78 HA VAL 78 2.204 -0.671 -4.112 615 HB VAL 78 HB VAL 78 4.203 1.292 -5.256 616 1HG1 VAL 78 1HG1 VAL 78 1.580 0.304 -6.371 617 2HG1 VAL 78 2HG1 VAL 78 3.169 -0.282 -6.862 618 3HG1 VAL 78 3HG1 VAL 78 2.719 1.399 -7.155 619 1HG2 VAL 78 1HG2 VAL 78 1.415 2.145 -4.977 620 2HG2 VAL 78 2HG2 VAL 78 2.910 3.023 -4.654 621 3HG2 VAL 78 3HG2 VAL 78 2.259 1.917 -3.446 622 H ILE 79 H ILE 79 2.634 -2.628 -4.898 623 HA ILE 79 HA ILE 79 5.406 -3.237 -5.699 624 HB ILE 79 HB ILE 79 3.587 -5.450 -4.857 625 1HG1 ILE 79 2HG1 ILE 79 5.147 -3.796 -2.867 626 2HG1 ILE 79 1HG1 ILE 79 3.408 -3.656 -3.100 627 1HG2 ILE 79 1HG2 ILE 79 5.618 -6.284 -5.571 628 2HG2 ILE 79 2HG2 ILE 79 5.910 -6.117 -3.843 629 3HG2 ILE 79 3HG2 ILE 79 6.518 -4.896 -4.960 630 1HD1 ILE 79 1HD1 ILE 79 3.737 -5.036 -1.222 631 2HD1 ILE 79 2HD1 ILE 79 4.945 -6.011 -2.060 632 3HD1 ILE 79 3HD1 ILE 79 3.251 -6.099 -2.543 633 H THR 80 H THR 80 4.211 -5.959 -6.603 634 HA THR 80 HA THR 80 3.451 -6.895 -8.521 635 HB THR 80 HB THR 80 1.896 -4.626 -9.511 636 HG1 THR 80 1HG THR 80 1.284 -5.614 -6.929 637 1HG2 THR 80 1HG2 THR 80 0.035 -6.361 -8.944 638 2HG2 THR 80 2HG2 THR 80 1.399 -7.470 -8.805 639 3HG2 THR 80 3HG2 THR 80 1.111 -6.613 -10.318 640 H GLY 81 H GLY 81 5.209 -7.059 -9.795 641 1HA GLY 81 2HA GLY 81 5.433 -5.584 -12.144 642 2HA GLY 81 1HA GLY 81 6.547 -4.864 -10.990 643 H HIS 82 H HIS 82 5.692 -8.279 -11.298 644 HA HIS 82 HA HIS 82 8.435 -9.059 -11.281 645 1HB HIS 82 2HB HIS 82 6.026 -10.305 -10.725 646 2HB HIS 82 1HB HIS 82 6.562 -11.104 -12.200 647 HD1 HIS 82 1HD HIS 82 9.681 -10.621 -11.148 648 HD2 HIS 82 2HD HIS 82 6.591 -12.751 -9.365 649 HE1 HIS 82 1HE HIS 82 10.800 -12.274 -9.619 650 HE2 HIS 82 2HE HIS 82 8.913 -13.610 -8.617 651 H GLY 83 H GLY 83 9.392 -8.081 -13.087 652 1HA GLY 83 2HA GLY 83 9.833 -9.506 -15.330 653 2HA GLY 83 1HA GLY 83 8.364 -8.634 -15.738 654 H SER 84 H SER 84 9.182 -6.303 -14.109 655 HA SER 84 HA SER 84 11.621 -5.316 -15.254 656 1HB SER 84 2HB SER 84 9.001 -4.661 -16.482 657 2HB SER 84 1HB SER 84 10.110 -3.312 -16.240 658 HG SER 84 HG SER 84 10.905 -5.728 -17.479 659 H VAL 85 H VAL 85 12.420 -3.609 -14.121 660 HA VAL 85 HA VAL 85 10.846 -2.746 -11.809 661 HB VAL 85 HB VAL 85 13.773 -2.216 -12.315 662 1HG1 VAL 85 1HG1 VAL 85 11.890 -1.756 -10.080 663 2HG1 VAL 85 2HG1 VAL 85 13.297 -0.823 -10.591 664 3HG1 VAL 85 3HG1 VAL 85 13.512 -2.303 -9.655 665 1HG2 VAL 85 1HG2 VAL 85 12.454 -4.556 -10.948 666 2HG2 VAL 85 2HG2 VAL 85 14.155 -4.136 -10.745 667 3HG2 VAL 85 3HG2 VAL 85 13.543 -4.588 -12.335 668 H ASP 86 H ASP 86 10.264 -1.685 -14.428 669 HA ASP 86 HA ASP 86 11.334 1.021 -14.403 670 1HB ASP 86 2HB ASP 86 10.101 1.306 -16.508 671 2HB ASP 86 1HB ASP 86 11.111 -0.136 -16.556 672 H THR 87 H THR 87 8.488 -0.692 -13.422 673 HA THR 87 HA THR 87 6.798 1.631 -13.321 674 HB THR 87 HB THR 87 6.001 -0.776 -13.582 675 HG1 THR 87 1HG THR 87 4.685 1.088 -12.931 676 1HG2 THR 87 1HG2 THR 87 7.388 -1.429 -11.424 677 2HG2 THR 87 2HG2 THR 87 5.891 -2.249 -11.867 678 3HG2 THR 87 3HG2 THR 87 5.874 -0.988 -10.635 679 H ALA 88 H ALA 88 8.868 -0.129 -11.114 680 HA ALA 88 HA ALA 88 8.062 1.047 -8.700 681 1HB ALA 88 1HB ALA 88 10.306 0.430 -7.879 682 2HB ALA 88 2HB ALA 88 10.790 0.062 -9.535 683 3HB ALA 88 3HB ALA 88 9.526 -0.890 -8.754 684 H VAL 89 H VAL 89 10.797 1.879 -10.799 685 HA VAL 89 HA VAL 89 11.583 4.216 -9.516 686 HB VAL 89 HB VAL 89 12.673 4.854 -11.610 687 1HG1 VAL 89 1HG1 VAL 89 12.975 1.884 -11.442 688 2HG1 VAL 89 2HG1 VAL 89 13.444 2.905 -10.083 689 3HG1 VAL 89 3HG1 VAL 89 14.210 3.124 -11.656 690 1HG2 VAL 89 1HG2 VAL 89 12.373 3.604 -13.652 691 2HG2 VAL 89 2HG2 VAL 89 10.810 4.219 -13.115 692 3HG2 VAL 89 3HG2 VAL 89 11.224 2.524 -12.862 693 H LYS 90 H LYS 90 8.968 3.624 -11.755 694 HA LYS 90 HA LYS 90 8.447 6.392 -12.305 695 1HB LYS 90 2HB LYS 90 7.824 4.710 -13.934 696 2HB LYS 90 1HB LYS 90 6.792 3.906 -12.759 697 1HG LYS 90 2HG LYS 90 5.243 5.711 -12.763 698 2HG LYS 90 1HG LYS 90 6.336 6.722 -13.710 699 1HD LYS 90 2HD LYS 90 6.126 4.611 -15.359 700 2HD LYS 90 1HD LYS 90 4.551 4.527 -14.567 701 1HE LYS 90 2HE LYS 90 4.178 6.903 -15.146 702 2HE LYS 90 1HE LYS 90 5.714 6.907 -16.011 703 1HZ LYS 90 1HZ LYS 90 4.892 5.476 -17.630 704 2HZ LYS 90 2HZ LYS 90 3.596 6.525 -17.347 705 3HZ LYS 90 3HZ LYS 90 3.587 4.970 -16.680 706 H ALA 91 H ALA 91 7.822 4.355 -9.671 707 HA ALA 91 HA ALA 91 5.542 5.992 -8.801 708 1HB ALA 91 1HB ALA 91 5.039 4.217 -7.223 709 2HB ALA 91 2HB ALA 91 6.485 3.339 -7.722 710 3HB ALA 91 3HB ALA 91 5.157 3.571 -8.860 711 H ILE 92 H ILE 92 8.695 4.757 -7.746 712 HA ILE 92 HA ILE 92 8.626 6.060 -5.219 713 HB ILE 92 HB ILE 92 10.874 5.398 -4.913 714 1HG1 ILE 92 2HG1 ILE 92 11.009 4.956 -7.904 715 2HG1 ILE 92 1HG1 ILE 92 11.828 6.231 -7.006 716 1HG2 ILE 92 1HG2 ILE 92 10.816 2.993 -5.794 717 2HG2 ILE 92 2HG2 ILE 92 9.249 3.423 -6.476 718 3HG2 ILE 92 3HG2 ILE 92 9.508 3.517 -4.735 719 1HD1 ILE 92 1HD1 ILE 92 12.326 3.290 -6.616 720 2HD1 ILE 92 2HD1 ILE 92 13.223 4.628 -5.899 721 3HD1 ILE 92 3HD1 ILE 92 13.299 4.347 -7.638 722 H LYS 93 H LYS 93 9.672 7.000 -8.410 723 HA LYS 93 HA LYS 93 11.170 9.280 -7.624 724 1HB LYS 93 2HB LYS 93 11.197 8.097 -9.892 725 2HB LYS 93 1HB LYS 93 9.713 8.970 -10.246 726 1HG LYS 93 2HG LYS 93 11.977 10.594 -9.283 727 2HG LYS 93 1HG LYS 93 12.152 9.871 -10.882 728 1HD LYS 93 2HD LYS 93 9.928 10.840 -11.479 729 2HD LYS 93 1HD LYS 93 9.941 11.687 -9.930 730 1HE LYS 93 2HE LYS 93 12.399 12.309 -10.997 731 2HE LYS 93 1HE LYS 93 11.349 12.291 -12.413 732 1HZ LYS 93 1HZ LYS 93 10.951 14.394 -11.769 733 2HZ LYS 93 2HZ LYS 93 11.389 14.119 -10.157 734 3HZ LYS 93 3HZ LYS 93 9.852 13.672 -10.704 735 H LYS 94 H LYS 94 7.800 8.611 -7.947 736 HA LYS 94 HA LYS 94 7.012 11.395 -8.041 737 1HB LYS 94 2HB LYS 94 5.323 8.918 -7.644 738 2HB LYS 94 1HB LYS 94 4.726 10.534 -7.997 739 1HG LYS 94 2HG LYS 94 6.632 9.213 -9.875 740 2HG LYS 94 1HG LYS 94 4.921 8.784 -9.898 741 1HD LYS 94 2HD LYS 94 5.957 11.606 -10.125 742 2HD LYS 94 1HD LYS 94 5.558 10.585 -11.509 743 1HE LYS 94 2HE LYS 94 3.281 10.322 -10.170 744 2HE LYS 94 1HE LYS 94 3.775 11.887 -9.523 745 1HZ LYS 94 1HZ LYS 94 4.093 12.548 -11.939 746 2HZ LYS 94 2HZ LYS 94 2.500 12.381 -11.396 747 3HZ LYS 94 3HZ LYS 94 3.207 11.162 -12.332 748 H GLY 95 H GLY 95 6.568 8.689 -5.743 749 1HA GLY 95 2HA GLY 95 7.218 10.212 -3.475 750 2HA GLY 95 1HA GLY 95 5.476 10.255 -3.680 751 H ALA 96 H ALA 96 7.375 7.430 -4.566 752 HA ALA 96 HA ALA 96 5.913 5.909 -2.565 753 1HB ALA 96 1HB ALA 96 6.175 4.085 -3.870 754 2HB ALA 96 2HB ALA 96 7.827 4.508 -4.317 755 3HB ALA 96 3HB ALA 96 6.468 5.294 -5.118 756 H TYR 97 H TYR 97 7.343 3.978 -1.655 757 HA TYR 97 HA TYR 97 9.415 5.298 -0.125 758 1HB TYR 97 2HB TYR 97 7.841 4.001 1.140 759 2HB TYR 97 1HB TYR 97 8.117 2.587 0.132 760 HD1 TYR 97 1HD TYR 97 10.223 4.952 2.133 761 HD2 TYR 97 2HD TYR 97 9.311 0.913 1.157 762 HE1 TYR 97 1HE TYR 97 11.952 4.187 3.704 763 HE2 TYR 97 2HE TYR 97 11.036 0.136 2.725 764 HH TYR 97 HH TYR 97 13.336 2.253 4.123 765 H GLU 98 H GLU 98 9.152 3.096 -2.717 766 HA GLU 98 HA GLU 98 11.541 3.183 -3.843 767 1HB GLU 98 2HB GLU 98 12.896 1.280 -2.886 768 2HB GLU 98 1HB GLU 98 12.818 2.724 -1.891 769 1HG GLU 98 2HG GLU 98 11.489 1.714 -0.299 770 2HG GLU 98 1HG GLU 98 10.874 0.511 -1.430 771 H PHE 99 H PHE 99 8.892 1.238 -2.892 772 HA PHE 99 HA PHE 99 7.652 -0.231 -4.145 773 1HB PHE 99 2HB PHE 99 9.115 0.911 -6.114 774 2HB PHE 99 1HB PHE 99 9.731 -0.736 -6.195 775 HD1 PHE 99 1HD PHE 99 8.452 -2.474 -7.137 776 HD2 PHE 99 2HD PHE 99 6.680 1.329 -6.420 777 HE1 PHE 99 1HE PHE 99 6.490 -3.140 -8.466 778 HE2 PHE 99 2HE PHE 99 4.718 0.669 -7.748 779 HZ PHE 99 HZ PHE 99 4.621 -1.568 -8.772 780 H LEU 100 H LEU 100 7.522 -2.059 -3.030 781 HA LEU 100 HA LEU 100 9.580 -3.527 -1.940 782 1HB LEU 100 2HB LEU 100 6.892 -3.648 -1.816 783 2HB LEU 100 1HB LEU 100 7.200 -5.053 -2.817 784 HG LEU 100 HG LEU 100 7.104 -5.881 -0.625 785 1HD1 LEU 100 1HD1 LEU 100 9.114 -6.554 -2.012 786 2HD1 LEU 100 2HD1 LEU 100 9.227 -6.833 -0.274 787 3HD1 LEU 100 3HD1 LEU 100 10.053 -5.456 -1.002 788 1HD2 LEU 100 1HD2 LEU 100 8.482 -3.350 0.054 789 2HD2 LEU 100 2HD2 LEU 100 8.836 -4.756 1.058 790 3HD2 LEU 100 3HD2 LEU 100 7.174 -4.191 0.887 791 H GLU 101 H GLU 101 11.277 -4.004 -3.278 792 HA GLU 101 HA GLU 101 10.762 -5.498 -5.735 793 1HB GLU 101 2HB GLU 101 13.177 -4.111 -4.607 794 2HB GLU 101 1HB GLU 101 13.332 -5.259 -5.930 795 1HG GLU 101 2HG GLU 101 11.277 -3.191 -6.295 796 2HG GLU 101 1HG GLU 101 12.941 -2.611 -6.245 797 H LYS 102 H LYS 102 12.110 -7.409 -6.205 798 HA LYS 102 HA LYS 102 12.779 -9.531 -5.738 799 1HB LYS 102 2HB LYS 102 14.666 -8.370 -4.669 800 2HB LYS 102 1HB LYS 102 13.760 -8.277 -3.166 801 1HG LYS 102 2HG LYS 102 13.699 -10.961 -3.752 802 2HG LYS 102 1HG LYS 102 15.308 -10.469 -4.287 803 1HD LYS 102 2HD LYS 102 14.377 -9.486 -1.645 804 2HD LYS 102 1HD LYS 102 14.802 -11.194 -1.776 805 1HE LYS 102 2HE LYS 102 16.990 -10.516 -2.737 806 2HE LYS 102 1HE LYS 102 16.557 -8.833 -2.439 807 1HZ LYS 102 1HZ LYS 102 17.150 -10.960 -0.487 808 2HZ LYS 102 2HZ LYS 102 16.217 -9.623 -0.035 809 3HZ LYS 102 3HZ LYS 102 17.798 -9.402 -0.592 810 HA PRO 103 HA PRO 103 9.113 -9.982 -2.785 811 1HB PRO 103 2HB PRO 103 7.203 -10.646 -4.570 812 2HB PRO 103 1HB PRO 103 7.573 -8.965 -4.168 813 1HG PRO 103 2HG PRO 103 8.448 -10.584 -6.529 814 2HG PRO 103 1HG PRO 103 7.870 -8.908 -6.474 815 1HD PRO 103 2HD PRO 103 10.508 -9.572 -6.617 816 2HD PRO 103 1HD PRO 103 9.920 -8.093 -5.833 817 H PHE 104 H PHE 104 9.843 -11.857 -1.888 818 HA PHE 104 HA PHE 104 10.130 -14.257 -3.482 819 1HB PHE 104 2HB PHE 104 10.842 -13.418 -0.730 820 2HB PHE 104 1HB PHE 104 10.504 -15.130 -0.958 821 HD1 PHE 104 1HD PHE 104 12.580 -12.337 -2.244 822 HD2 PHE 104 2HD PHE 104 12.122 -16.548 -1.842 823 HE1 PHE 104 1HE PHE 104 14.858 -12.664 -3.117 824 HE2 PHE 104 2HE PHE 104 14.399 -16.883 -2.712 825 HZ PHE 104 HZ PHE 104 15.769 -14.940 -3.352 826 H SER 105 H SER 105 7.872 -12.877 -1.205 827 HA SER 105 HA SER 105 5.749 -14.521 -2.010 828 1HB SER 105 2HB SER 105 6.898 -16.305 -0.815 829 2HB SER 105 1HB SER 105 7.012 -15.301 0.629 830 HG SER 105 HG SER 105 4.725 -15.326 0.725 831 H VAL 106 H VAL 106 6.951 -13.057 1.012 832 HA VAL 106 HA VAL 106 5.305 -10.811 0.942 833 HB VAL 106 HB VAL 106 3.463 -12.458 1.178 834 1HG1 VAL 106 1HG1 VAL 106 3.950 -12.981 4.006 835 2HG1 VAL 106 2HG1 VAL 106 5.131 -13.739 2.938 836 3HG1 VAL 106 3HG1 VAL 106 3.411 -14.068 2.727 837 1HG2 VAL 106 1HG2 VAL 106 3.373 -11.053 3.763 838 2HG2 VAL 106 2HG2 VAL 106 2.253 -11.004 2.402 839 3HG2 VAL 106 3HG2 VAL 106 3.731 -10.043 2.361 840 H GLU 107 H GLU 107 7.146 -13.127 2.796 841 HA GLU 107 HA GLU 107 7.336 -11.897 5.253 842 1HB GLU 107 2HB GLU 107 8.399 -14.093 4.312 843 2HB GLU 107 1HB GLU 107 9.781 -13.054 3.993 844 1HG GLU 107 2HG GLU 107 9.668 -12.380 6.424 845 2HG GLU 107 1HG GLU 107 8.523 -13.703 6.637 846 H ARG 108 H ARG 108 9.391 -11.338 2.399 847 HA ARG 108 HA ARG 108 11.026 -9.360 3.494 848 1HB ARG 108 2HB ARG 108 10.921 -10.615 1.101 849 2HB ARG 108 1HB ARG 108 10.272 -9.046 0.647 850 1HG ARG 108 2HG ARG 108 12.467 -8.629 0.292 851 2HG ARG 108 1HG ARG 108 12.392 -8.204 2.003 852 1HD ARG 108 2HD ARG 108 13.195 -10.904 0.928 853 2HD ARG 108 1HD ARG 108 14.320 -9.648 1.435 854 HE ARG 108 HE ARG 108 13.674 -9.993 3.670 855 1HH1 ARG 108 1HH1 ARG 108 12.052 -12.186 1.479 856 2HH1 ARG 108 2HH1 ARG 108 11.583 -13.281 2.734 857 1HH2 ARG 108 1HH2 ARG 108 13.051 -11.435 5.310 858 2HH2 ARG 108 2HH2 ARG 108 12.146 -12.856 4.906 859 H PHE 109 H PHE 109 7.860 -9.144 1.968 860 HA PHE 109 HA PHE 109 7.676 -6.350 1.772 861 1HB PHE 109 2HB PHE 109 6.066 -7.615 0.586 862 2HB PHE 109 1HB PHE 109 5.621 -8.544 2.011 863 HD1 PHE 109 1HD PHE 109 5.216 -5.369 0.243 864 HD2 PHE 109 2HD PHE 109 4.066 -7.674 3.631 865 HE1 PHE 109 1HE PHE 109 3.347 -3.826 0.653 866 HE2 PHE 109 2HE PHE 109 2.193 -6.134 4.046 867 HZ PHE 109 HZ PHE 109 1.833 -4.207 2.557 868 H LEU 110 H LEU 110 7.273 -8.535 4.453 869 HA LEU 110 HA LEU 110 5.912 -6.744 6.184 870 1HB LEU 110 2HB LEU 110 6.524 -9.393 6.234 871 2HB LEU 110 1HB LEU 110 7.628 -8.753 7.435 872 HG LEU 110 HG LEU 110 4.729 -8.032 7.559 873 1HD1 LEU 110 1HD1 LEU 110 5.725 -10.408 9.050 874 2HD1 LEU 110 2HD1 LEU 110 5.229 -10.603 7.369 875 3HD1 LEU 110 3HD1 LEU 110 4.084 -9.987 8.561 876 1HD2 LEU 110 1HD2 LEU 110 6.786 -7.145 8.987 877 2HD2 LEU 110 2HD2 LEU 110 6.437 -8.604 9.914 878 3HD2 LEU 110 3HD2 LEU 110 5.185 -7.382 9.689 879 H LEU 111 H LEU 111 9.319 -7.654 5.825 880 HA LEU 111 HA LEU 111 10.441 -6.256 7.908 881 1HB LEU 111 2HB LEU 111 11.440 -6.873 5.158 882 2HB LEU 111 1HB LEU 111 12.422 -5.955 6.282 883 HG LEU 111 HG LEU 111 11.642 -8.167 7.763 884 1HD1 LEU 111 1HD1 LEU 111 10.819 -9.160 5.624 885 2HD1 LEU 111 2HD1 LEU 111 12.070 -10.100 6.437 886 3HD1 LEU 111 3HD1 LEU 111 12.479 -9.117 5.031 887 1HD2 LEU 111 1HD2 LEU 111 13.925 -6.869 7.230 888 2HD2 LEU 111 2HD2 LEU 111 14.197 -8.335 6.289 889 3HD2 LEU 111 3HD2 LEU 111 13.872 -8.445 8.020 890 H THR 112 H THR 112 9.562 -5.026 4.705 891 HA THR 112 HA THR 112 10.591 -2.415 5.123 892 HB THR 112 HB THR 112 8.518 -3.461 3.181 893 HG1 THR 112 1HG THR 112 11.234 -2.780 2.755 894 1HG2 THR 112 1HG2 THR 112 9.762 -1.253 2.052 895 2HG2 THR 112 2HG2 THR 112 9.337 -0.745 3.687 896 3HG2 THR 112 3HG2 THR 112 8.091 -1.367 2.606 897 H ILE 113 H ILE 113 7.329 -3.799 5.359 898 HA ILE 113 HA ILE 113 5.804 -1.602 5.864 899 HB ILE 113 HB ILE 113 5.669 -4.398 6.919 900 1HG1 ILE 113 2HG1 ILE 113 4.981 -3.884 4.605 901 2HG1 ILE 113 1HG1 ILE 113 3.636 -4.472 5.577 902 1HG2 ILE 113 1HG2 ILE 113 4.101 -2.065 7.918 903 2HG2 ILE 113 2HG2 ILE 113 4.747 -3.449 8.800 904 3HG2 ILE 113 3HG2 ILE 113 3.321 -3.641 7.780 905 1HD1 ILE 113 1HD1 ILE 113 4.186 -1.655 4.698 906 2HD1 ILE 113 2HD1 ILE 113 2.986 -2.069 5.923 907 3HD1 ILE 113 3HD1 ILE 113 2.816 -2.684 4.278 908 H LYS 114 H LYS 114 7.354 -3.516 8.451 909 HA LYS 114 HA LYS 114 6.721 -1.984 10.617 910 1HB LYS 114 2HB LYS 114 7.995 -4.128 10.663 911 2HB LYS 114 1HB LYS 114 9.426 -3.245 10.149 912 1HG LYS 114 2HG LYS 114 7.983 -2.338 12.588 913 2HG LYS 114 1HG LYS 114 8.996 -3.780 12.677 914 1HD LYS 114 2HD LYS 114 10.820 -2.517 12.809 915 2HD LYS 114 1HD LYS 114 10.422 -1.746 11.273 916 1HE LYS 114 2HE LYS 114 10.556 0.022 12.804 917 2HE LYS 114 1HE LYS 114 8.828 -0.278 12.620 918 1HZ LYS 114 1HZ LYS 114 9.857 -0.003 14.970 919 2HZ LYS 114 2HZ LYS 114 10.301 -1.625 14.779 920 3HZ LYS 114 3HZ LYS 114 8.670 -1.179 14.708 921 H HIS 115 H HIS 115 9.652 -1.622 8.635 922 HA HIS 115 HA HIS 115 10.571 0.722 9.863 923 1HB HIS 115 2HB HIS 115 11.005 -0.171 7.006 924 2HB HIS 115 1HB HIS 115 11.983 1.000 7.884 925 HD1 HIS 115 1HD HIS 115 12.360 -2.218 6.755 926 HD2 HIS 115 2HD HIS 115 12.777 -0.545 10.536 927 HE1 HIS 115 1HE HIS 115 13.841 -3.801 8.031 928 HE2 HIS 115 2HE HIS 115 14.014 -2.809 10.340 929 H ALA 116 H ALA 116 8.154 0.194 7.400 930 HA ALA 116 HA ALA 116 8.033 2.788 6.327 931 1HB ALA 116 1HB ALA 116 5.543 1.183 6.604 932 2HB ALA 116 2HB ALA 116 6.861 0.536 5.629 933 3HB ALA 116 3HB ALA 116 6.150 2.098 5.225 934 H PHE 117 H PHE 117 6.536 1.345 9.169 935 HA PHE 117 HA PHE 117 4.874 3.587 9.759 936 1HB PHE 117 2HB PHE 117 5.697 1.122 11.258 937 2HB PHE 117 1HB PHE 117 4.834 2.412 12.087 938 HD1 PHE 117 1HD PHE 117 4.120 -0.602 11.262 939 HD2 PHE 117 2HD PHE 117 3.009 3.264 9.873 940 HE1 PHE 117 1HE PHE 117 1.983 -1.503 10.437 941 HE2 PHE 117 2HE PHE 117 0.881 2.359 9.045 942 HZ PHE 117 HZ PHE 117 0.363 -0.026 9.334 943 H GLU 118 H GLU 118 8.193 2.940 10.189 944 HA GLU 118 HA GLU 118 8.793 4.294 12.540 945 1HB GLU 118 2HB GLU 118 10.279 2.916 10.890 946 2HB GLU 118 1HB GLU 118 10.606 4.492 10.180 947 1HG GLU 118 2HG GLU 118 11.184 5.200 12.590 948 2HG GLU 118 1HG GLU 118 11.293 3.468 12.901 949 H GLU 119 H GLU 119 7.743 5.527 9.503 950 HA GLU 119 HA GLU 119 8.654 8.231 10.125 951 1HB GLU 119 2HB GLU 119 7.105 7.337 7.696 952 2HB GLU 119 1HB GLU 119 8.038 8.815 7.892 953 1HG GLU 119 2HG GLU 119 10.076 7.691 7.738 954 2HG GLU 119 1HG GLU 119 9.335 6.120 8.046 955 H TYR 120 H TYR 120 6.663 7.048 11.811 956 HA TYR 120 HA TYR 120 4.492 8.969 11.357 957 1HB TYR 120 2HB TYR 120 3.732 6.719 10.628 958 2HB TYR 120 1HB TYR 120 4.069 6.107 12.244 959 HD1 TYR 120 1HD TYR 120 1.969 5.511 13.072 960 HD2 TYR 120 2HD TYR 120 2.478 9.324 11.256 961 HE1 TYR 120 1HE TYR 120 -0.296 6.147 13.787 962 HE2 TYR 120 2HE TYR 120 0.215 9.972 11.967 963 HH TYR 120 HH TYR 120 -2.015 8.530 12.552 964 H SER 121 H SER 121 6.879 8.887 13.111 965 HA SER 121 HA SER 121 5.471 9.146 15.685 966 1HB SER 121 2HB SER 121 8.360 8.318 15.519 967 2HB SER 121 1HB SER 121 7.237 8.144 16.868 968 HG SER 121 HG SER 121 7.433 6.630 14.507 Start of MODEL 15 1 1H MET 1 1HT MET 1 -3.568 0.534 16.992 2 2H MET 1 2HT MET 1 -3.631 1.414 15.519 3 3H MET 1 3HT MET 1 -3.361 2.236 17.001 4 HA MET 1 HA MET 1 -1.305 2.142 16.069 5 1HB MET 1 2HB MET 1 -1.969 0.386 18.272 6 2HB MET 1 1HB MET 1 -0.554 -0.209 17.413 7 1HG MET 1 2HG MET 1 0.739 1.530 18.046 8 2HG MET 1 1HG MET 1 -0.602 2.674 18.042 9 1HE MET 1 1HE MET 1 1.156 3.090 21.047 10 2HE MET 1 2HE MET 1 1.870 2.127 19.754 11 3HE MET 1 3HE MET 1 1.632 1.420 21.351 12 H LYS 2 H LYS 2 -0.223 1.552 14.305 13 HA LYS 2 HA LYS 2 0.468 0.381 12.483 14 1HB LYS 2 2HB LYS 2 0.187 -1.644 14.590 15 2HB LYS 2 1HB LYS 2 0.188 -2.270 12.949 16 1HG LYS 2 2HG LYS 2 2.423 -2.329 13.721 17 2HG LYS 2 1HG LYS 2 2.312 -1.002 12.565 18 1HD LYS 2 2HD LYS 2 2.484 0.617 14.207 19 2HD LYS 2 1HD LYS 2 1.910 -0.466 15.477 20 1HE LYS 2 2HE LYS 2 3.994 -1.026 16.005 21 2HE LYS 2 1HE LYS 2 4.329 -1.504 14.341 22 1HZ LYS 2 1HZ LYS 2 5.841 0.218 15.033 23 2HZ LYS 2 2HZ LYS 2 4.560 1.239 15.455 24 3HZ LYS 2 3HZ LYS 2 4.813 0.827 13.835 25 H ARG 3 H ARG 3 -1.004 0.892 10.938 26 HA ARG 3 HA ARG 3 -3.032 -1.120 10.360 27 1HB ARG 3 2HB ARG 3 -3.855 1.759 10.216 28 2HB ARG 3 1HB ARG 3 -4.864 0.322 10.291 29 1HG ARG 3 2HG ARG 3 -5.147 1.190 12.393 30 2HG ARG 3 1HG ARG 3 -3.824 0.055 12.665 31 1HD ARG 3 2HD ARG 3 -2.483 1.698 13.328 32 2HD ARG 3 1HD ARG 3 -2.778 2.597 11.840 33 HE ARG 3 HE ARG 3 -4.010 3.027 14.411 34 1HH1 ARG 3 1HH1 ARG 3 -4.270 3.546 10.969 35 2HH1 ARG 3 2HH1 ARG 3 -5.310 4.920 11.129 36 1HH2 ARG 3 1HH2 ARG 3 -5.376 4.835 14.623 37 2HH2 ARG 3 2HH2 ARG 3 -5.936 5.655 13.203 38 H VAL 4 H VAL 4 -1.646 -1.641 8.610 39 HA VAL 4 HA VAL 4 -1.011 0.364 6.636 40 HB VAL 4 HB VAL 4 -0.676 -2.628 6.410 41 1HG1 VAL 4 1HG1 VAL 4 1.366 -1.427 5.040 42 2HG1 VAL 4 2HG1 VAL 4 0.015 -0.338 4.728 43 3HG1 VAL 4 3HG1 VAL 4 -0.118 -2.049 4.320 44 1HG2 VAL 4 1HG2 VAL 4 1.289 -0.586 7.457 45 2HG2 VAL 4 2HG2 VAL 4 1.594 -2.309 7.238 46 3HG2 VAL 4 3HG2 VAL 4 0.421 -1.766 8.438 47 H LEU 5 H LEU 5 -1.819 0.498 4.532 48 HA LEU 5 HA LEU 5 -4.438 -0.784 4.159 49 1HB LEU 5 2HB LEU 5 -4.426 1.683 4.223 50 2HB LEU 5 1HB LEU 5 -3.337 1.702 2.848 51 HG LEU 5 HG LEU 5 -5.130 0.510 1.531 52 1HD1 LEU 5 1HD1 LEU 5 -6.742 -0.394 2.797 53 2HD1 LEU 5 2HD1 LEU 5 -7.444 1.223 2.768 54 3HD1 LEU 5 3HD1 LEU 5 -6.455 0.715 4.136 55 1HD2 LEU 5 1HD2 LEU 5 -6.622 2.655 1.520 56 2HD2 LEU 5 2HD2 LEU 5 -4.950 2.732 0.964 57 3HD2 LEU 5 3HD2 LEU 5 -5.368 3.291 2.583 58 H VAL 6 H VAL 6 -4.914 -1.927 2.359 59 HA VAL 6 HA VAL 6 -2.709 -2.392 0.455 60 HB VAL 6 HB VAL 6 -4.896 -4.346 1.165 61 1HG1 VAL 6 1HG1 VAL 6 -3.895 -4.656 -1.047 62 2HG1 VAL 6 2HG1 VAL 6 -3.485 -5.980 0.042 63 3HG1 VAL 6 3HG1 VAL 6 -2.294 -4.729 -0.312 64 1HG2 VAL 6 1HG2 VAL 6 -3.753 -5.069 2.933 65 2HG2 VAL 6 2HG2 VAL 6 -2.817 -3.579 2.819 66 3HG2 VAL 6 3HG2 VAL 6 -2.226 -5.052 2.051 67 H VAL 7 H VAL 7 -3.182 -2.557 -1.728 68 HA VAL 7 HA VAL 7 -5.950 -2.007 -2.544 69 HB VAL 7 HB VAL 7 -3.575 -0.683 -3.856 70 1HG1 VAL 7 1HG1 VAL 7 -5.818 -1.097 -5.063 71 2HG1 VAL 7 2HG1 VAL 7 -5.100 0.512 -5.132 72 3HG1 VAL 7 3HG1 VAL 7 -6.432 0.188 -4.023 73 1HG2 VAL 7 1HG2 VAL 7 -5.509 0.641 -1.968 74 2HG2 VAL 7 2HG2 VAL 7 -4.049 1.327 -2.683 75 3HG2 VAL 7 3HG2 VAL 7 -3.923 0.049 -1.474 76 H ASP 8 H ASP 8 -6.629 -3.520 -3.915 77 HA ASP 8 HA ASP 8 -4.907 -4.477 -6.024 78 1HB ASP 8 2HB ASP 8 -4.143 -5.974 -4.336 79 2HB ASP 8 1HB ASP 8 -5.776 -6.273 -3.755 80 H ASP 9 H ASP 9 -6.042 -5.518 -7.687 81 HA ASP 9 HA ASP 9 -8.854 -4.865 -7.762 82 1HB ASP 9 2HB ASP 9 -7.446 -4.379 -9.702 83 2HB ASP 9 1HB ASP 9 -7.048 -6.084 -9.865 84 H GLU 10 H GLU 10 -8.585 -6.723 -5.862 85 HA GLU 10 HA GLU 10 -9.797 -9.106 -7.084 86 1HB GLU 10 2HB GLU 10 -7.323 -9.195 -6.016 87 2HB GLU 10 1HB GLU 10 -8.277 -9.500 -4.572 88 1HG GLU 10 2HG GLU 10 -9.332 -11.130 -6.614 89 2HG GLU 10 1HG GLU 10 -7.577 -11.284 -6.681 90 H GLU 11 H GLU 11 -10.465 -10.466 -4.779 91 HA GLU 11 HA GLU 11 -12.354 -8.600 -3.501 92 1HB GLU 11 2HB GLU 11 -13.839 -10.514 -3.173 93 2HB GLU 11 1HB GLU 11 -13.445 -10.312 -4.875 94 1HG GLU 11 2HG GLU 11 -11.854 -12.123 -4.762 95 2HG GLU 11 1HG GLU 11 -12.125 -12.287 -3.028 96 H SER 12 H SER 12 -12.333 -8.386 -1.344 97 HA SER 12 HA SER 12 -11.652 -8.561 0.820 98 1HB SER 12 2HB SER 12 -11.786 -10.679 1.822 99 2HB SER 12 1HB SER 12 -12.822 -10.835 0.403 100 HG SER 12 HG SER 12 -10.223 -11.845 0.824 101 H ILE 13 H ILE 13 -9.808 -9.133 2.257 102 HA ILE 13 HA ILE 13 -7.456 -8.140 1.639 103 HB ILE 13 HB ILE 13 -7.324 -10.762 3.070 104 1HG1 ILE 13 2HG1 ILE 13 -9.325 -9.720 3.970 105 2HG1 ILE 13 1HG1 ILE 13 -8.024 -9.586 5.146 106 1HG2 ILE 13 1HG2 ILE 13 -5.231 -9.883 3.088 107 2HG2 ILE 13 2HG2 ILE 13 -5.875 -9.118 4.541 108 3HG2 ILE 13 3HG2 ILE 13 -5.807 -8.218 3.027 109 1HD1 ILE 13 1HD1 ILE 13 -7.682 -7.286 4.596 110 2HD1 ILE 13 2HD1 ILE 13 -9.395 -7.545 4.926 111 3HD1 ILE 13 3HD1 ILE 13 -8.831 -7.390 3.262 112 H THR 14 H THR 14 -5.345 -8.906 1.093 113 HA THR 14 HA THR 14 -5.412 -10.660 -1.210 114 HB THR 14 HB THR 14 -3.221 -9.845 -1.714 115 HG1 THR 14 1HG THR 14 -3.175 -8.613 0.834 116 1HG2 THR 14 1HG2 THR 14 -3.454 -7.451 -1.743 117 2HG2 THR 14 2HG2 THR 14 -4.707 -7.524 -0.505 118 3HG2 THR 14 3HG2 THR 14 -5.010 -8.199 -2.106 119 H SER 15 H SER 15 -4.900 -12.726 -1.155 120 HA SER 15 HA SER 15 -4.548 -14.295 1.003 121 1HB SER 15 2HB SER 15 -3.370 -14.677 -1.751 122 2HB SER 15 1HB SER 15 -3.390 -15.938 -0.518 123 HG SER 15 HG SER 15 -5.346 -15.197 -2.183 124 H SER 16 H SER 16 -3.036 -14.876 2.413 125 HA SER 16 HA SER 16 -1.010 -15.174 3.418 126 1HB SER 16 2HB SER 16 -0.146 -15.504 1.048 127 2HB SER 16 1HB SER 16 0.350 -13.813 1.107 128 HG SER 16 HG SER 16 1.709 -14.292 2.809 129 H LEU 17 H LEU 17 -2.324 -12.211 2.531 130 HA LEU 17 HA LEU 17 -0.347 -10.613 3.945 131 1HB LEU 17 2HB LEU 17 -1.823 -10.042 1.805 132 2HB LEU 17 1HB LEU 17 -2.961 -9.511 3.021 133 HG LEU 17 HG LEU 17 -0.960 -7.994 1.860 134 1HD1 LEU 17 1HD1 LEU 17 -2.775 -6.864 2.658 135 2HD1 LEU 17 2HD1 LEU 17 -1.567 -6.444 3.872 136 3HD1 LEU 17 3HD1 LEU 17 -2.760 -7.698 4.209 137 1HD2 LEU 17 1HD2 LEU 17 0.566 -7.381 3.648 138 2HD2 LEU 17 2HD2 LEU 17 0.749 -9.085 3.240 139 3HD2 LEU 17 3HD2 LEU 17 -0.128 -8.619 4.694 140 H SER 18 H SER 18 -3.848 -11.252 4.211 141 HA SER 18 HA SER 18 -4.356 -9.926 6.575 142 1HB SER 18 2HB SER 18 -5.927 -11.280 4.951 143 2HB SER 18 1HB SER 18 -5.655 -12.583 6.107 144 HG SER 18 HG SER 18 -6.384 -11.117 7.748 145 H ALA 19 H ALA 19 -3.419 -13.347 6.213 146 HA ALA 19 HA ALA 19 -3.331 -13.992 8.924 147 1HB ALA 19 1HB ALA 19 -2.970 -15.392 6.659 148 2HB ALA 19 2HB ALA 19 -2.512 -15.989 8.254 149 3HB ALA 19 3HB ALA 19 -1.298 -15.261 7.203 150 H ILE 20 H ILE 20 -0.854 -12.609 6.820 151 HA ILE 20 HA ILE 20 1.295 -12.722 8.614 152 HB ILE 20 HB ILE 20 0.690 -10.968 6.246 153 1HG1 ILE 20 2HG1 ILE 20 2.900 -12.960 6.769 154 2HG1 ILE 20 1HG1 ILE 20 1.378 -13.354 5.975 155 1HG2 ILE 20 1HG2 ILE 20 2.844 -10.600 8.268 156 2HG2 ILE 20 2HG2 ILE 20 1.964 -9.400 7.323 157 3HG2 ILE 20 3HG2 ILE 20 3.238 -10.355 6.566 158 1HD1 ILE 20 1HD1 ILE 20 3.586 -11.582 4.999 159 2HD1 ILE 20 2HD1 ILE 20 1.969 -11.550 4.296 160 3HD1 ILE 20 3HD1 ILE 20 2.922 -13.033 4.250 161 H LEU 21 H LEU 21 -0.562 -9.776 7.774 162 HA LEU 21 HA LEU 21 0.372 -8.168 9.810 163 1HB LEU 21 2HB LEU 21 -2.398 -8.215 8.627 164 2HB LEU 21 1HB LEU 21 -1.706 -6.885 9.537 165 HG LEU 21 HG LEU 21 -0.012 -7.671 7.315 166 1HD1 LEU 21 1HD1 LEU 21 -1.623 -8.105 5.832 167 2HD1 LEU 21 2HD1 LEU 21 -1.874 -6.360 5.836 168 3HD1 LEU 21 3HD1 LEU 21 -2.883 -7.399 6.841 169 1HD2 LEU 21 1HD2 LEU 21 -0.440 -5.455 8.847 170 2HD2 LEU 21 2HD2 LEU 21 -1.238 -5.019 7.335 171 3HD2 LEU 21 3HD2 LEU 21 0.462 -5.486 7.331 172 H GLU 22 H GLU 22 -2.116 -10.631 9.896 173 HA GLU 22 HA GLU 22 -3.147 -9.989 12.460 174 1HB GLU 22 2HB GLU 22 -3.312 -12.360 10.656 175 2HB GLU 22 1HB GLU 22 -3.862 -12.501 12.319 176 1HG GLU 22 2HG GLU 22 -5.094 -10.213 11.547 177 2HG GLU 22 1HG GLU 22 -5.075 -11.124 10.038 178 H GLU 23 H GLU 23 -0.379 -11.763 11.343 179 HA GLU 23 HA GLU 23 0.076 -13.094 13.863 180 1HB GLU 23 2HB GLU 23 0.845 -14.303 11.992 181 2HB GLU 23 1HB GLU 23 1.592 -12.885 11.271 182 1HG GLU 23 2HG GLU 23 3.512 -13.218 12.338 183 2HG GLU 23 1HG GLU 23 2.707 -13.557 13.870 184 H GLU 24 H GLU 24 1.186 -10.236 12.166 185 HA GLU 24 HA GLU 24 3.234 -9.631 14.099 186 1HB GLU 24 2HB GLU 24 2.117 -8.164 11.725 187 2HB GLU 24 1HB GLU 24 3.288 -7.424 12.810 188 1HG GLU 24 2HG GLU 24 3.817 -10.060 11.488 189 2HG GLU 24 1HG GLU 24 4.154 -8.530 10.681 190 H GLY 25 H GLY 25 -0.112 -8.833 13.585 191 1HA GLY 25 2HA GLY 25 -1.540 -8.020 15.274 192 2HA GLY 25 1HA GLY 25 -0.132 -7.421 16.138 193 H TYR 26 H TYR 26 -1.648 -6.914 12.953 194 HA TYR 26 HA TYR 26 -1.367 -4.010 13.393 195 1HB TYR 26 2HB TYR 26 -0.978 -5.670 10.921 196 2HB TYR 26 1HB TYR 26 -1.384 -3.967 10.799 197 HD1 TYR 26 1HD TYR 26 0.429 -2.695 10.239 198 HD2 TYR 26 2HD TYR 26 0.985 -5.945 12.925 199 HE1 TYR 26 1HE TYR 26 2.804 -2.106 10.448 200 HE2 TYR 26 2HE TYR 26 3.364 -5.363 13.141 201 HH TYR 26 HH TYR 26 5.097 -4.058 11.523 202 H HIS 27 H HIS 27 -2.797 -2.935 11.518 203 HA HIS 27 HA HIS 27 -5.486 -4.124 11.619 204 1HB HIS 27 2HB HIS 27 -4.762 -1.839 12.985 205 2HB HIS 27 1HB HIS 27 -5.397 -1.183 11.479 206 HD1 HIS 27 1HD HIS 27 -6.806 -4.264 13.122 207 HD2 HIS 27 2HD HIS 27 -7.771 -0.262 12.552 208 HE1 HIS 27 1HE HIS 27 -9.189 -4.031 13.893 209 HE2 HIS 27 2HE HIS 27 -9.774 -1.616 13.474 210 HA PRO 28 HA PRO 28 -4.224 -3.245 7.303 211 1HB PRO 28 2HB PRO 28 -4.648 -5.675 6.279 212 2HB PRO 28 1HB PRO 28 -3.202 -5.305 7.225 213 1HG PRO 28 2HG PRO 28 -5.686 -6.748 8.043 214 2HG PRO 28 1HG PRO 28 -3.999 -7.097 8.456 215 1HD PRO 28 2HD PRO 28 -5.793 -5.751 10.085 216 2HD PRO 28 1HD PRO 28 -4.030 -5.666 10.232 217 H ASP 29 H ASP 29 -5.404 -2.768 5.553 218 HA ASP 29 HA ASP 29 -8.190 -3.635 5.376 219 1HB ASP 29 2HB ASP 29 -8.186 -1.415 6.499 220 2HB ASP 29 1HB ASP 29 -7.310 -0.749 5.126 221 H THR 30 H THR 30 -8.769 -4.073 3.269 222 HA THR 30 HA THR 30 -6.818 -3.284 1.211 223 HB THR 30 HB THR 30 -7.048 -5.396 0.145 224 HG1 THR 30 1HG THR 30 -9.191 -5.785 1.942 225 1HG2 THR 30 1HG2 THR 30 -5.824 -6.595 1.562 226 2HG2 THR 30 2HG2 THR 30 -7.068 -6.563 2.809 227 3HG2 THR 30 3HG2 THR 30 -5.962 -5.203 2.636 228 H ALA 31 H ALA 31 -7.553 -2.373 -0.591 229 HA ALA 31 HA ALA 31 -10.457 -2.039 -0.866 230 1HB ALA 31 1HB ALA 31 -8.956 -0.019 -0.657 231 2HB ALA 31 2HB ALA 31 -10.031 -0.033 -2.055 232 3HB ALA 31 3HB ALA 31 -8.323 -0.429 -2.251 233 H LYS 32 H LYS 32 -10.485 -1.264 -3.571 234 HA LYS 32 HA LYS 32 -9.826 -3.825 -4.866 235 1HB LYS 32 2HB LYS 32 -11.904 -1.928 -5.916 236 2HB LYS 32 1HB LYS 32 -11.748 -3.657 -6.193 237 1HG LYS 32 2HG LYS 32 -12.465 -4.124 -3.935 238 2HG LYS 32 1HG LYS 32 -12.514 -2.399 -3.567 239 1HD LYS 32 2HD LYS 32 -14.322 -2.049 -5.088 240 2HD LYS 32 1HD LYS 32 -14.168 -3.685 -5.733 241 1HE LYS 32 2HE LYS 32 -14.552 -3.684 -2.859 242 2HE LYS 32 1HE LYS 32 -15.861 -2.854 -3.698 243 1HZ LYS 32 1HZ LYS 32 -16.580 -4.751 -4.637 244 2HZ LYS 32 2HZ LYS 32 -15.785 -5.483 -3.336 245 3HZ LYS 32 3HZ LYS 32 -15.026 -5.388 -4.845 246 H THR 33 H THR 33 -9.642 -0.350 -5.111 247 HA THR 33 HA THR 33 -7.495 -0.528 -6.996 248 HB THR 33 HB THR 33 -9.660 1.178 -8.078 249 HG1 THR 33 1HG THR 33 -10.716 -0.559 -9.026 250 1HG2 THR 33 1HG2 THR 33 -7.400 -0.409 -9.114 251 2HG2 THR 33 2HG2 THR 33 -7.973 1.194 -9.573 252 3HG2 THR 33 3HG2 THR 33 -8.813 -0.244 -10.156 253 H LEU 34 H LEU 34 -7.218 1.954 -7.887 254 HA LEU 34 HA LEU 34 -6.464 3.413 -5.595 255 1HB LEU 34 2HB LEU 34 -6.820 4.490 -8.391 256 2HB LEU 34 1HB LEU 34 -5.818 5.168 -7.120 257 HG LEU 34 HG LEU 34 -5.309 2.421 -8.236 258 1HD1 LEU 34 1HD1 LEU 34 -3.415 3.840 -9.438 259 2HD1 LEU 34 2HD1 LEU 34 -4.676 5.072 -9.397 260 3HD1 LEU 34 3HD1 LEU 34 -4.978 3.526 -10.190 261 1HD2 LEU 34 1HD2 LEU 34 -4.328 3.303 -6.025 262 2HD2 LEU 34 2HD2 LEU 34 -3.327 4.329 -7.053 263 3HD2 LEU 34 3HD2 LEU 34 -3.233 2.574 -7.200 264 H ARG 35 H ARG 35 -9.218 3.686 -7.795 265 HA ARG 35 HA ARG 35 -10.296 6.060 -6.744 266 1HB ARG 35 2HB ARG 35 -11.658 3.711 -8.076 267 2HB ARG 35 1HB ARG 35 -12.452 5.240 -7.721 268 1HG ARG 35 2HG ARG 35 -10.178 5.989 -9.100 269 2HG ARG 35 1HG ARG 35 -10.708 4.518 -9.917 270 1HD ARG 35 2HD ARG 35 -11.996 5.991 -11.059 271 2HD ARG 35 1HD ARG 35 -13.068 5.746 -9.682 272 HE ARG 35 HE ARG 35 -12.682 7.908 -9.039 273 1HH1 ARG 35 1HH1 ARG 35 -10.257 6.975 -11.370 274 2HH1 ARG 35 2HH1 ARG 35 -9.606 8.572 -11.516 275 1HH2 ARG 35 1HH2 ARG 35 -11.827 10.008 -9.233 276 2HH2 ARG 35 2HH2 ARG 35 -10.499 10.295 -10.307 277 H GLU 36 H GLU 36 -10.869 2.655 -5.949 278 HA GLU 36 HA GLU 36 -12.794 3.127 -3.932 279 1HB GLU 36 2HB GLU 36 -11.204 0.841 -4.895 280 2HB GLU 36 1HB GLU 36 -11.655 0.756 -3.198 281 1HG GLU 36 2HG GLU 36 -13.310 -0.378 -4.485 282 2HG GLU 36 1HG GLU 36 -14.014 1.112 -3.860 283 H ALA 37 H ALA 37 -9.275 2.859 -3.908 284 HA ALA 37 HA ALA 37 -8.927 2.825 -1.106 285 1HB ALA 37 1HB ALA 37 -6.849 4.178 -2.704 286 2HB ALA 37 2HB ALA 37 -7.256 2.538 -3.208 287 3HB ALA 37 3HB ALA 37 -6.713 2.845 -1.559 288 H GLU 38 H GLU 38 -8.623 5.535 -3.421 289 HA GLU 38 HA GLU 38 -8.173 7.595 -1.681 290 1HB GLU 38 2HB GLU 38 -9.869 7.576 -4.177 291 2HB GLU 38 1HB GLU 38 -9.388 9.044 -3.336 292 1HG GLU 38 2HG GLU 38 -7.078 8.621 -3.783 293 2HG GLU 38 1HG GLU 38 -7.450 7.031 -4.446 294 H LYS 39 H LYS 39 -11.278 6.112 -2.496 295 HA LYS 39 HA LYS 39 -12.936 7.890 -1.096 296 1HB LYS 39 2HB LYS 39 -13.849 6.265 -2.657 297 2HB LYS 39 1HB LYS 39 -13.279 4.938 -1.657 298 1HG LYS 39 2HG LYS 39 -15.081 6.881 -0.356 299 2HG LYS 39 1HG LYS 39 -15.790 5.849 -1.601 300 1HD LYS 39 2HD LYS 39 -14.936 3.869 -0.426 301 2HD LYS 39 1HD LYS 39 -14.260 4.912 0.827 302 1HE LYS 39 2HE LYS 39 -17.138 5.231 0.201 303 2HE LYS 39 1HE LYS 39 -16.657 3.758 1.042 304 1HZ LYS 39 1HZ LYS 39 -17.231 6.027 2.287 305 2HZ LYS 39 2HZ LYS 39 -15.565 6.244 2.082 306 3HZ LYS 39 3HZ LYS 39 -16.147 4.887 2.908 307 H LYS 40 H LYS 40 -11.253 4.954 -0.089 308 HA LYS 40 HA LYS 40 -12.248 4.994 2.586 309 1HB LYS 40 2HB LYS 40 -10.091 3.491 1.155 310 2HB LYS 40 1HB LYS 40 -10.224 3.398 2.906 311 1HG LYS 40 2HG LYS 40 -12.738 2.952 1.468 312 2HG LYS 40 1HG LYS 40 -11.484 1.748 1.163 313 1HD LYS 40 2HD LYS 40 -11.214 1.583 3.673 314 2HD LYS 40 1HD LYS 40 -12.688 2.543 3.805 315 1HE LYS 40 2HE LYS 40 -13.887 0.843 2.492 316 2HE LYS 40 1HE LYS 40 -12.413 -0.123 2.420 317 1HZ LYS 40 1HZ LYS 40 -14.148 0.436 4.733 318 2HZ LYS 40 2HZ LYS 40 -12.521 0.039 4.975 319 3HZ LYS 40 3HZ LYS 40 -13.549 -1.047 4.182 320 H ILE 41 H ILE 41 -9.232 5.990 1.035 321 HA ILE 41 HA ILE 41 -7.961 6.838 3.436 322 HB ILE 41 HB ILE 41 -7.336 7.737 0.626 323 1HG1 ILE 41 2HG1 ILE 41 -6.025 5.452 2.090 324 2HG1 ILE 41 1HG1 ILE 41 -7.424 5.205 1.050 325 1HG2 ILE 41 1HG2 ILE 41 -6.034 8.055 3.252 326 2HG2 ILE 41 2HG2 ILE 41 -5.985 9.091 1.825 327 3HG2 ILE 41 3HG2 ILE 41 -4.974 7.647 1.903 328 1HD1 ILE 41 1HD1 ILE 41 -6.094 5.104 -0.706 329 2HD1 ILE 41 2HD1 ILE 41 -4.695 5.359 0.337 330 3HD1 ILE 41 3HD1 ILE 41 -5.522 6.740 -0.383 331 H LYS 42 H LYS 42 -10.345 8.258 1.422 332 HA LYS 42 HA LYS 42 -9.845 10.969 1.643 333 1HB LYS 42 2HB LYS 42 -11.824 9.500 0.563 334 2HB LYS 42 1HB LYS 42 -12.657 10.153 1.966 335 1HG LYS 42 2HG LYS 42 -11.109 12.111 0.424 336 2HG LYS 42 1HG LYS 42 -12.476 11.392 -0.430 337 1HD LYS 42 2HD LYS 42 -13.994 12.083 1.296 338 2HD LYS 42 1HD LYS 42 -12.660 12.629 2.313 339 1HE LYS 42 2HE LYS 42 -12.113 14.150 0.255 340 2HE LYS 42 1HE LYS 42 -13.805 13.867 -0.150 341 1HZ LYS 42 1HZ LYS 42 -12.652 15.394 2.047 342 2HZ LYS 42 2HZ LYS 42 -14.061 14.522 2.392 343 3HZ LYS 42 3HZ LYS 42 -14.061 15.676 1.155 344 H GLU 43 H GLU 43 -10.828 8.732 4.080 345 HA GLU 43 HA GLU 43 -11.077 10.957 5.982 346 1HB GLU 43 2HB GLU 43 -12.600 8.365 6.203 347 2HB GLU 43 1HB GLU 43 -12.810 9.817 7.170 348 1HG GLU 43 2HG GLU 43 -13.824 10.979 5.404 349 2HG GLU 43 1HG GLU 43 -13.286 9.799 4.210 350 H LEU 44 H LEU 44 -10.521 7.447 5.753 351 HA LEU 44 HA LEU 44 -9.303 7.153 8.261 352 1HB LEU 44 2HB LEU 44 -9.637 5.554 5.843 353 2HB LEU 44 1HB LEU 44 -8.127 5.219 6.668 354 HG LEU 44 HG LEU 44 -9.985 3.713 7.333 355 1HD1 LEU 44 1HD1 LEU 44 -9.320 3.588 9.527 356 2HD1 LEU 44 2HD1 LEU 44 -9.289 5.340 9.731 357 3HD1 LEU 44 3HD1 LEU 44 -8.008 4.536 8.825 358 1HD2 LEU 44 1HD2 LEU 44 -11.802 4.529 8.675 359 2HD2 LEU 44 2HD2 LEU 44 -11.776 5.424 7.156 360 3HD2 LEU 44 3HD2 LEU 44 -11.155 6.169 8.628 361 H PHE 45 H PHE 45 -7.428 7.876 9.000 362 HA PHE 45 HA PHE 45 -5.483 9.014 7.184 363 1HB PHE 45 2HB PHE 45 -6.065 10.170 9.286 364 2HB PHE 45 1HB PHE 45 -5.442 8.802 10.203 365 HD1 PHE 45 1HD PHE 45 -4.174 10.813 7.322 366 HD2 PHE 45 2HD PHE 45 -3.465 9.304 11.238 367 HE1 PHE 45 1HE PHE 45 -1.933 11.828 7.304 368 HE2 PHE 45 2HE PHE 45 -1.223 10.317 11.227 369 HZ PHE 45 HZ PHE 45 -0.453 11.581 9.258 370 H PHE 46 H PHE 46 -5.414 6.562 6.424 371 HA PHE 46 HA PHE 46 -3.961 4.660 7.846 372 1HB PHE 46 2HB PHE 46 -4.485 5.147 4.942 373 2HB PHE 46 1HB PHE 46 -3.310 3.920 5.402 374 HD1 PHE 46 1HD PHE 46 -6.535 4.311 4.407 375 HD2 PHE 46 2HD PHE 46 -4.306 2.438 7.509 376 HE1 PHE 46 1HE PHE 46 -8.362 2.694 4.736 377 HE2 PHE 46 2HE PHE 46 -6.127 0.817 7.845 378 HZ PHE 46 HZ PHE 46 -8.158 0.945 6.458 379 HA PRO 47 HA PRO 47 0.065 6.646 7.823 380 1HB PRO 47 2HB PRO 47 1.422 4.666 9.075 381 2HB PRO 47 1HB PRO 47 0.342 5.770 9.936 382 1HG PRO 47 2HG PRO 47 -0.168 2.980 8.979 383 2HG PRO 47 1HG PRO 47 -0.604 3.729 10.526 384 1HD PRO 47 2HD PRO 47 -2.372 3.422 8.490 385 2HD PRO 47 1HD PRO 47 -2.460 4.765 9.643 386 H VAL 48 H VAL 48 -0.511 3.345 6.729 387 HA VAL 48 HA VAL 48 1.624 3.709 4.741 388 HB VAL 48 HB VAL 48 0.945 1.039 5.957 389 1HG1 VAL 48 1HG1 VAL 48 2.866 2.048 3.957 390 2HG1 VAL 48 2HG1 VAL 48 2.099 0.466 4.100 391 3HG1 VAL 48 3HG1 VAL 48 3.491 0.864 5.106 392 1HG2 VAL 48 1HG2 VAL 48 1.742 2.271 7.794 393 2HG2 VAL 48 2HG2 VAL 48 2.968 3.083 6.822 394 3HG2 VAL 48 3HG2 VAL 48 3.137 1.369 7.200 395 H ILE 49 H ILE 49 1.178 3.088 2.684 396 HA ILE 49 HA ILE 49 -1.341 1.680 2.143 397 HB ILE 49 HB ILE 49 -0.621 4.000 0.402 398 1HG1 ILE 49 2HG1 ILE 49 -0.762 4.708 2.893 399 2HG1 ILE 49 1HG1 ILE 49 -1.706 5.604 1.711 400 1HG2 ILE 49 1HG2 ILE 49 -2.904 2.212 0.834 401 2HG2 ILE 49 2HG2 ILE 49 -2.357 3.032 -0.629 402 3HG2 ILE 49 3HG2 ILE 49 -3.322 3.904 0.563 403 1HD1 ILE 49 1HD1 ILE 49 -3.004 5.201 3.694 404 2HD1 ILE 49 2HD1 ILE 49 -2.733 3.464 3.557 405 3HD1 ILE 49 3HD1 ILE 49 -3.688 4.307 2.338 406 H VAL 50 H VAL 50 -0.616 -0.145 1.096 407 HA VAL 50 HA VAL 50 1.497 0.191 -0.911 408 HB VAL 50 HB VAL 50 0.472 -2.348 0.372 409 1HG1 VAL 50 1HG1 VAL 50 2.918 -2.947 -0.604 410 2HG1 VAL 50 2HG1 VAL 50 2.368 -1.782 -1.808 411 3HG1 VAL 50 3HG1 VAL 50 1.413 -3.226 -1.479 412 1HG2 VAL 50 1HG2 VAL 50 3.079 -2.024 1.164 413 2HG2 VAL 50 2HG2 VAL 50 1.656 -1.669 2.144 414 3HG2 VAL 50 3HG2 VAL 50 2.445 -0.380 1.237 415 H LEU 51 H LEU 51 1.079 -0.183 -3.016 416 HA LEU 51 HA LEU 51 -1.668 -0.922 -3.732 417 1HB LEU 51 2HB LEU 51 -1.036 1.186 -4.642 418 2HB LEU 51 1HB LEU 51 0.489 0.550 -5.226 419 HG LEU 51 HG LEU 51 -0.853 -0.918 -6.797 420 1HD1 LEU 51 1HD1 LEU 51 -3.022 -1.021 -6.153 421 2HD1 LEU 51 2HD1 LEU 51 -3.149 0.368 -7.231 422 3HD1 LEU 51 3HD1 LEU 51 -3.021 0.613 -5.489 423 1HD2 LEU 51 1HD2 LEU 51 -0.624 2.045 -6.938 424 2HD2 LEU 51 2HD2 LEU 51 -1.527 1.207 -8.200 425 3HD2 LEU 51 3HD2 LEU 51 0.164 0.802 -7.909 426 H ASP 52 H ASP 52 -2.125 -2.682 -4.937 427 HA ASP 52 HA ASP 52 0.149 -4.364 -5.755 428 1HB ASP 52 2HB ASP 52 -1.741 -5.008 -3.894 429 2HB ASP 52 1HB ASP 52 -2.446 -5.700 -5.352 430 H VAL 53 H VAL 53 0.128 -3.293 -7.815 431 HA VAL 53 HA VAL 53 -2.082 -3.165 -9.530 432 HB VAL 53 HB VAL 53 -0.139 -1.853 -10.039 433 1HG1 VAL 53 1HG1 VAL 53 2.006 -2.613 -10.303 434 2HG1 VAL 53 2HG1 VAL 53 1.492 -4.224 -10.802 435 3HG1 VAL 53 3HG1 VAL 53 1.403 -3.756 -9.106 436 1HG2 VAL 53 1HG2 VAL 53 -0.023 -2.148 -12.343 437 2HG2 VAL 53 2HG2 VAL 53 -1.561 -2.900 -11.915 438 3HG2 VAL 53 3HG2 VAL 53 -0.143 -3.904 -12.222 439 H TRP 54 H TRP 54 -3.104 -5.253 -9.203 440 HA TRP 54 HA TRP 54 -1.774 -7.600 -10.267 441 1HB TRP 54 2HB TRP 54 -3.172 -7.966 -8.352 442 2HB TRP 54 1HB TRP 54 -4.530 -7.146 -9.112 443 HD1 TRP 54 HD TRP 54 -6.299 -8.972 -9.438 444 HE1 TRP 54 1HE TRP 54 -6.347 -11.311 -10.510 445 HE3 TRP 54 3HE TRP 54 -1.313 -9.512 -10.439 446 HZ2 TRP 54 2HZ TRP 54 -4.515 -13.143 -11.630 447 HZ3 TRP 54 3HZ TRP 54 -0.544 -11.588 -11.512 448 HH2 TRP 54 HH TRP 54 -2.113 -13.366 -12.094 449 H MET 55 H MET 55 -5.082 -6.490 -10.921 450 HA MET 55 HA MET 55 -4.505 -6.320 -13.769 451 1HB MET 55 2HB MET 55 -6.168 -8.433 -12.496 452 2HB MET 55 1HB MET 55 -6.753 -7.744 -14.005 453 1HG MET 55 2HG MET 55 -3.929 -8.473 -14.067 454 2HG MET 55 1HG MET 55 -5.009 -9.833 -13.769 455 1HE MET 55 1HE MET 55 -3.481 -8.993 -17.426 456 2HE MET 55 2HE MET 55 -3.047 -8.257 -15.884 457 3HE MET 55 3HE MET 55 -3.960 -7.332 -17.075 458 HA PRO 56 HA PRO 56 -7.914 -3.482 -12.306 459 1HB PRO 56 2HB PRO 56 -6.399 -1.310 -11.481 460 2HB PRO 56 1HB PRO 56 -7.050 -2.555 -10.417 461 1HG PRO 56 2HG PRO 56 -4.315 -2.031 -11.014 462 2HG PRO 56 1HG PRO 56 -4.972 -3.331 -10.012 463 1HD PRO 56 2HD PRO 56 -4.079 -3.388 -12.841 464 2HD PRO 56 1HD PRO 56 -4.120 -4.690 -11.637 465 H ASP 57 H ASP 57 -7.653 -0.741 -12.739 466 HA ASP 57 HA ASP 57 -6.444 -0.315 -15.333 467 1HB ASP 57 2HB ASP 57 -8.638 -1.365 -15.854 468 2HB ASP 57 1HB ASP 57 -9.437 -0.040 -15.013 469 H GLY 58 H GLY 58 -5.454 1.016 -13.426 470 1HA GLY 58 2HA GLY 58 -6.538 3.714 -13.709 471 2HA GLY 58 1HA GLY 58 -6.403 3.084 -12.074 472 H ASP 59 H ASP 59 -5.075 5.386 -12.877 473 HA ASP 59 HA ASP 59 -2.330 4.686 -13.484 474 1HB ASP 59 2HB ASP 59 -3.945 7.104 -13.498 475 2HB ASP 59 1HB ASP 59 -2.385 7.372 -12.728 476 H GLY 60 H GLY 60 -0.976 4.006 -11.966 477 1HA GLY 60 2HA GLY 60 -1.548 4.543 -9.162 478 2HA GLY 60 1HA GLY 60 -0.333 3.438 -9.784 479 H VAL 61 H VAL 61 0.695 5.573 -11.620 480 HA VAL 61 HA VAL 61 2.745 6.547 -9.975 481 HB VAL 61 HB VAL 61 1.876 7.593 -12.672 482 1HG1 VAL 61 1HG1 VAL 61 4.423 7.871 -11.103 483 2HG1 VAL 61 2HG1 VAL 61 3.350 9.151 -11.667 484 3HG1 VAL 61 3HG1 VAL 61 4.299 8.221 -12.826 485 1HG2 VAL 61 1HG2 VAL 61 4.084 5.619 -12.198 486 2HG2 VAL 61 2HG2 VAL 61 3.232 5.997 -13.695 487 3HG2 VAL 61 3HG2 VAL 61 2.418 5.086 -12.423 488 H ASN 62 H ASN 62 -0.211 8.055 -11.203 489 HA ASN 62 HA ASN 62 0.383 10.625 -10.093 490 1HB ASN 62 2HB ASN 62 -1.463 9.601 -11.937 491 2HB ASN 62 1HB ASN 62 -2.437 10.201 -10.597 492 1HD2 ASN 62 1HD2 ASN 62 0.492 11.225 -12.326 493 2HD2 ASN 62 2HD2 ASN 62 -0.017 12.859 -12.563 494 H PHE 63 H PHE 63 -1.195 7.744 -8.964 495 HA PHE 63 HA PHE 63 -2.770 8.826 -6.915 496 1HB PHE 63 2HB PHE 63 -2.939 6.485 -7.703 497 2HB PHE 63 1HB PHE 63 -1.383 6.137 -6.954 498 HD1 PHE 63 1HD PHE 63 -4.245 8.129 -5.673 499 HD2 PHE 63 2HD PHE 63 -1.845 4.642 -5.244 500 HE1 PHE 63 1HE PHE 63 -5.381 7.613 -3.553 501 HE2 PHE 63 2HE PHE 63 -2.978 4.119 -3.123 502 HZ PHE 63 HZ PHE 63 -4.748 5.607 -2.277 503 H ILE 64 H ILE 64 0.640 7.983 -7.024 504 HA ILE 64 HA ILE 64 1.373 7.940 -4.397 505 HB ILE 64 HB ILE 64 2.807 9.141 -6.760 506 1HG1 ILE 64 2HG1 ILE 64 4.128 6.897 -5.636 507 2HG1 ILE 64 1HG1 ILE 64 2.417 6.493 -5.728 508 1HG2 ILE 64 1HG2 ILE 64 4.870 8.976 -5.297 509 2HG2 ILE 64 2HG2 ILE 64 3.767 8.876 -3.925 510 3HG2 ILE 64 3HG2 ILE 64 3.768 10.309 -4.953 511 1HD1 ILE 64 1HD1 ILE 64 4.114 7.465 -8.014 512 2HD1 ILE 64 2HD1 ILE 64 2.410 7.019 -8.098 513 3HD1 ILE 64 3HD1 ILE 64 3.623 5.797 -7.722 514 H ASP 65 H ASP 65 0.356 10.720 -6.252 515 HA ASP 65 HA ASP 65 1.238 12.640 -4.301 516 1HB ASP 65 2HB ASP 65 0.959 13.093 -6.785 517 2HB ASP 65 1HB ASP 65 -0.780 13.095 -6.501 518 H PHE 66 H PHE 66 -1.795 11.034 -5.127 519 HA PHE 66 HA PHE 66 -3.524 12.519 -3.522 520 1HB PHE 66 2HB PHE 66 -4.310 10.851 -5.145 521 2HB PHE 66 1HB PHE 66 -3.639 9.560 -4.151 522 HD1 PHE 66 1HD PHE 66 -4.547 9.330 -1.766 523 HD2 PHE 66 2HD PHE 66 -6.490 11.569 -4.818 524 HE1 PHE 66 1HE PHE 66 -6.661 9.193 -0.516 525 HE2 PHE 66 2HE PHE 66 -8.607 11.436 -3.574 526 HZ PHE 66 HZ PHE 66 -8.695 10.246 -1.418 527 H ILE 67 H ILE 67 -1.465 9.758 -2.736 528 HA ILE 67 HA ILE 67 -2.349 9.320 -0.118 529 HB ILE 67 HB ILE 67 0.353 8.855 -1.386 530 1HG1 ILE 67 2HG1 ILE 67 -0.546 6.419 -0.976 531 2HG1 ILE 67 1HG1 ILE 67 -2.112 7.220 -0.911 532 1HG2 ILE 67 1HG2 ILE 67 1.116 8.768 0.734 533 2HG2 ILE 67 2HG2 ILE 67 0.345 7.182 0.733 534 3HG2 ILE 67 3HG2 ILE 67 -0.498 8.571 1.420 535 1HD1 ILE 67 1HD1 ILE 67 -0.365 7.864 -3.207 536 2HD1 ILE 67 2HD1 ILE 67 -2.118 7.685 -3.124 537 3HD1 ILE 67 3HD1 ILE 67 -1.086 6.255 -3.155 538 H LYS 68 H LYS 68 0.238 11.422 -1.362 539 HA LYS 68 HA LYS 68 0.898 12.428 1.242 540 1HB LYS 68 2HB LYS 68 1.593 13.570 -1.472 541 2HB LYS 68 1HB LYS 68 2.361 13.977 0.057 542 1HG LYS 68 2HG LYS 68 2.363 11.129 -0.764 543 2HG LYS 68 1HG LYS 68 3.417 12.244 -1.638 544 1HD LYS 68 2HD LYS 68 4.368 12.974 0.529 545 2HD LYS 68 1HD LYS 68 3.375 11.761 1.341 546 1HE LYS 68 2HE LYS 68 5.123 10.881 -0.897 547 2HE LYS 68 1HE LYS 68 5.884 11.277 0.644 548 1HZ LYS 68 1HZ LYS 68 4.893 9.529 1.687 549 2HZ LYS 68 2HZ LYS 68 5.019 8.873 0.133 550 3HZ LYS 68 3HZ LYS 68 3.546 9.512 0.665 551 H GLU 69 H GLU 69 -1.374 13.244 -1.234 552 HA GLU 69 HA GLU 69 -1.820 15.949 -0.600 553 1HB GLU 69 2HB GLU 69 -2.616 14.689 -2.651 554 2HB GLU 69 1HB GLU 69 -3.898 14.036 -1.643 555 1HG GLU 69 2HG GLU 69 -4.862 16.163 -1.319 556 2HG GLU 69 1HG GLU 69 -3.446 16.984 -1.973 557 H ASN 70 H ASN 70 -3.319 12.966 0.573 558 HA ASN 70 HA ASN 70 -4.564 14.534 2.736 559 1HB ASN 70 2HB ASN 70 -5.618 11.859 1.876 560 2HB ASN 70 1HB ASN 70 -6.454 13.164 2.711 561 1HD2 ASN 70 1HD2 ASN 70 -4.923 12.354 -0.369 562 2HD2 ASN 70 2HD2 ASN 70 -5.995 13.288 -1.349 563 H SER 71 H SER 71 -1.913 12.981 2.399 564 HA SER 71 HA SER 71 -1.807 12.022 5.075 565 1HB SER 71 2HB SER 71 -2.451 10.115 2.975 566 2HB SER 71 1HB SER 71 -0.960 9.683 3.809 567 HG SER 71 HG SER 71 -3.359 10.351 5.160 568 HA PRO 72 HA PRO 72 2.160 13.389 3.031 569 1HB PRO 72 2HB PRO 72 2.358 15.182 5.333 570 2HB PRO 72 1HB PRO 72 2.421 15.568 3.612 571 1HG PRO 72 2HG PRO 72 0.325 16.251 5.174 572 2HG PRO 72 1HG PRO 72 0.146 15.852 3.457 573 1HD PRO 72 2HD PRO 72 -0.420 14.169 5.865 574 2HD PRO 72 1HD PRO 72 -1.343 14.323 4.355 575 H ASP 73 H ASP 73 1.172 12.338 6.124 576 HA ASP 73 HA ASP 73 3.920 11.622 6.868 577 1HB ASP 73 2HB ASP 73 2.445 12.950 8.460 578 2HB ASP 73 1HB ASP 73 1.503 11.477 8.657 579 H SER 74 H SER 74 2.267 10.195 4.881 580 HA SER 74 HA SER 74 1.995 7.604 6.248 581 1HB SER 74 2HB SER 74 -0.101 8.361 5.250 582 2HB SER 74 1HB SER 74 0.695 8.565 3.690 583 HG SER 74 HG SER 74 -0.148 6.593 3.511 584 H VAL 75 H VAL 75 2.214 5.756 4.421 585 HA VAL 75 HA VAL 75 4.701 6.313 2.942 586 HB VAL 75 HB VAL 75 4.057 3.759 4.430 587 1HG1 VAL 75 1HG1 VAL 75 6.521 4.578 2.887 588 2HG1 VAL 75 2HG1 VAL 75 5.344 3.359 2.398 589 3HG1 VAL 75 3HG1 VAL 75 6.343 3.097 3.828 590 1HG2 VAL 75 1HG2 VAL 75 4.710 5.873 5.755 591 2HG2 VAL 75 2HG2 VAL 75 6.315 5.623 5.068 592 3HG2 VAL 75 3HG2 VAL 75 5.582 4.372 6.074 593 H VAL 76 H VAL 76 4.966 5.274 0.976 594 HA VAL 76 HA VAL 76 2.640 3.764 -0.015 595 HB VAL 76 HB VAL 76 4.279 5.558 -1.789 596 1HG1 VAL 76 1HG1 VAL 76 3.075 4.416 -3.291 597 2HG1 VAL 76 2HG1 VAL 76 1.733 5.436 -2.775 598 3HG1 VAL 76 3HG1 VAL 76 1.940 3.830 -2.075 599 1HG2 VAL 76 1HG2 VAL 76 1.688 6.330 -0.459 600 2HG2 VAL 76 2HG2 VAL 76 2.674 7.319 -1.534 601 3HG2 VAL 76 3HG2 VAL 76 3.275 6.888 0.066 602 H ILE 77 H ILE 77 3.186 1.765 -0.584 603 HA ILE 77 HA ILE 77 6.001 1.174 -1.135 604 HB ILE 77 HB ILE 77 3.698 -0.701 -0.597 605 1HG1 ILE 77 2HG1 ILE 77 4.397 0.667 1.346 606 2HG1 ILE 77 1HG1 ILE 77 4.746 -1.044 1.575 607 1HG2 ILE 77 1HG2 ILE 77 4.979 -2.292 -1.473 608 2HG2 ILE 77 2HG2 ILE 77 6.122 -2.016 -0.160 609 3HG2 ILE 77 3HG2 ILE 77 6.322 -1.171 -1.694 610 1HD1 ILE 77 1HD1 ILE 77 6.982 0.337 0.382 611 2HD1 ILE 77 2HD1 ILE 77 6.907 -0.643 1.847 612 3HD1 ILE 77 3HD1 ILE 77 6.497 1.071 1.911 613 H VAL 78 H VAL 78 2.879 0.026 -2.453 614 HA VAL 78 HA VAL 78 2.232 -0.484 -4.583 615 HB VAL 78 HB VAL 78 4.551 1.159 -5.599 616 1HG1 VAL 78 1HG1 VAL 78 1.781 0.661 -6.694 617 2HG1 VAL 78 2HG1 VAL 78 3.258 -0.131 -7.242 618 3HG1 VAL 78 3HG1 VAL 78 3.052 1.607 -7.467 619 1HG2 VAL 78 1HG2 VAL 78 2.006 2.062 -4.312 620 2HG2 VAL 78 2HG2 VAL 78 2.736 3.022 -5.598 621 3HG2 VAL 78 3HG2 VAL 78 3.643 2.690 -4.122 622 H ILE 79 H ILE 79 2.540 -2.518 -5.235 623 HA ILE 79 HA ILE 79 5.284 -3.370 -5.883 624 HB ILE 79 HB ILE 79 3.380 -5.388 -4.783 625 1HG1 ILE 79 2HG1 ILE 79 4.985 -3.532 -3.017 626 2HG1 ILE 79 1HG1 ILE 79 3.250 -3.400 -3.257 627 1HG2 ILE 79 1HG2 ILE 79 5.537 -6.145 -5.561 628 2HG2 ILE 79 2HG2 ILE 79 5.506 -6.251 -3.802 629 3HG2 ILE 79 3HG2 ILE 79 6.355 -4.924 -4.592 630 1HD1 ILE 79 1HD1 ILE 79 2.807 -5.071 -1.848 631 2HD1 ILE 79 2HD1 ILE 79 4.440 -4.771 -1.252 632 3HD1 ILE 79 3HD1 ILE 79 4.151 -6.053 -2.429 633 H THR 80 H THR 80 4.088 -6.114 -6.493 634 HA THR 80 HA THR 80 3.505 -7.234 -8.377 635 HB THR 80 HB THR 80 1.378 -5.717 -9.415 636 HG1 THR 80 1HG THR 80 1.453 -5.618 -6.582 637 1HG2 THR 80 1HG2 THR 80 0.078 -7.475 -8.835 638 2HG2 THR 80 2HG2 THR 80 0.827 -7.655 -7.248 639 3HG2 THR 80 3HG2 THR 80 1.660 -8.242 -8.688 640 H GLY 81 H GLY 81 2.763 -6.827 -10.819 641 1HA GLY 81 2HA GLY 81 3.330 -4.700 -12.359 642 2HA GLY 81 1HA GLY 81 4.938 -5.283 -11.958 643 H HIS 82 H HIS 82 4.489 -5.263 -14.528 644 HA HIS 82 HA HIS 82 3.964 -8.079 -15.198 645 1HB HIS 82 2HB HIS 82 2.347 -5.976 -15.985 646 2HB HIS 82 1HB HIS 82 3.392 -6.219 -17.381 647 HD1 HIS 82 1HD HIS 82 2.805 -8.108 -18.903 648 HD2 HIS 82 2HD HIS 82 0.879 -8.384 -15.232 649 HE1 HIS 82 1HE HIS 82 1.191 -10.021 -19.134 650 HE2 HIS 82 2HE HIS 82 0.100 -10.225 -16.871 651 H GLY 83 H GLY 83 6.483 -7.137 -14.603 652 1HA GLY 83 2HA GLY 83 8.550 -7.664 -15.600 653 2HA GLY 83 1HA GLY 83 7.802 -7.511 -17.182 654 H SER 84 H SER 84 10.300 -6.380 -16.386 655 HA SER 84 HA SER 84 11.478 -4.444 -16.574 656 1HB SER 84 2HB SER 84 10.251 -4.196 -18.676 657 2HB SER 84 1HB SER 84 8.907 -3.442 -17.820 658 HG SER 84 HG SER 84 10.263 -1.876 -18.755 659 H VAL 85 H VAL 85 11.854 -3.832 -14.503 660 HA VAL 85 HA VAL 85 9.874 -2.713 -12.793 661 HB VAL 85 HB VAL 85 12.869 -2.484 -12.490 662 1HG1 VAL 85 1HG1 VAL 85 10.548 -2.200 -10.607 663 2HG1 VAL 85 2HG1 VAL 85 11.848 -1.055 -10.937 664 3HG1 VAL 85 3HG1 VAL 85 12.182 -2.532 -10.033 665 1HG2 VAL 85 1HG2 VAL 85 11.021 -4.703 -11.618 666 2HG2 VAL 85 2HG2 VAL 85 12.708 -4.537 -11.127 667 3HG2 VAL 85 3HG2 VAL 85 12.304 -4.813 -12.823 668 H ASP 86 H ASP 86 9.256 -1.147 -14.637 669 HA ASP 86 HA ASP 86 10.902 1.278 -14.572 670 1HB ASP 86 2HB ASP 86 10.252 0.426 -16.789 671 2HB ASP 86 1HB ASP 86 8.554 0.576 -16.347 672 H THR 87 H THR 87 7.520 0.235 -14.123 673 HA THR 87 HA THR 87 6.467 2.696 -13.359 674 HB THR 87 HB THR 87 5.240 0.476 -13.810 675 HG1 THR 87 1HG THR 87 4.318 2.506 -12.988 676 1HG2 THR 87 1HG2 THR 87 6.280 -0.932 -12.138 677 2HG2 THR 87 2HG2 THR 87 4.551 -0.774 -11.827 678 3HG2 THR 87 3HG2 THR 87 5.708 0.137 -10.856 679 H ALA 88 H ALA 88 8.374 0.389 -11.580 680 HA ALA 88 HA ALA 88 7.911 1.314 -8.973 681 1HB ALA 88 1HB ALA 88 10.270 -0.050 -10.245 682 2HB ALA 88 2HB ALA 88 9.029 -0.754 -9.210 683 3HB ALA 88 3HB ALA 88 10.219 0.354 -8.529 684 H VAL 89 H VAL 89 10.656 2.012 -11.123 685 HA VAL 89 HA VAL 89 11.773 4.057 -9.588 686 HB VAL 89 HB VAL 89 12.964 4.748 -11.607 687 1HG1 VAL 89 1HG1 VAL 89 13.244 2.408 -10.318 688 2HG1 VAL 89 2HG1 VAL 89 14.298 2.926 -11.634 689 3HG1 VAL 89 3HG1 VAL 89 12.963 1.818 -11.957 690 1HG2 VAL 89 1HG2 VAL 89 12.451 4.066 -13.762 691 2HG2 VAL 89 2HG2 VAL 89 10.855 4.346 -13.066 692 3HG2 VAL 89 3HG2 VAL 89 11.479 2.703 -13.210 693 H LYS 90 H LYS 90 9.019 4.045 -11.688 694 HA LYS 90 HA LYS 90 8.927 6.915 -11.998 695 1HB LYS 90 2HB LYS 90 8.097 5.532 -13.800 696 2HB LYS 90 1HB LYS 90 6.968 4.732 -12.717 697 1HG LYS 90 2HG LYS 90 5.661 6.708 -12.494 698 2HG LYS 90 1HG LYS 90 6.871 7.672 -13.338 699 1HD LYS 90 2HD LYS 90 5.629 5.321 -14.701 700 2HD LYS 90 1HD LYS 90 4.745 6.846 -14.604 701 1HE LYS 90 2HE LYS 90 6.123 7.891 -16.056 702 2HE LYS 90 1HE LYS 90 7.555 7.043 -15.473 703 1HZ LYS 90 1HZ LYS 90 7.307 6.141 -17.546 704 2HZ LYS 90 2HZ LYS 90 5.618 6.225 -17.522 705 3HZ LYS 90 3HZ LYS 90 6.416 5.027 -16.635 706 H ALA 91 H ALA 91 8.061 4.750 -9.558 707 HA ALA 91 HA ALA 91 6.026 6.600 -8.511 708 1HB ALA 91 1HB ALA 91 5.219 4.740 -7.148 709 2HB ALA 91 2HB ALA 91 6.474 3.699 -7.821 710 3HB ALA 91 3HB ALA 91 5.202 4.334 -8.865 711 H ILE 92 H ILE 92 8.964 4.813 -7.700 712 HA ILE 92 HA ILE 92 9.049 5.691 -4.989 713 HB ILE 92 HB ILE 92 11.201 4.706 -4.838 714 1HG1 ILE 92 2HG1 ILE 92 11.256 4.660 -7.865 715 2HG1 ILE 92 1HG1 ILE 92 12.216 5.718 -6.839 716 1HG2 ILE 92 1HG2 ILE 92 10.814 2.486 -6.057 717 2HG2 ILE 92 2HG2 ILE 92 9.315 3.216 -6.631 718 3HG2 ILE 92 3HG2 ILE 92 9.593 3.018 -4.902 719 1HD1 ILE 92 1HD1 ILE 92 13.618 4.025 -6.175 720 2HD1 ILE 92 2HD1 ILE 92 13.257 3.557 -7.838 721 3HD1 ILE 92 3HD1 ILE 92 12.425 2.767 -6.499 722 H LYS 93 H LYS 93 10.729 7.063 -4.071 723 HA LYS 93 HA LYS 93 12.064 8.917 -3.952 724 1HB LYS 93 2HB LYS 93 11.775 9.247 -6.940 725 2HB LYS 93 1HB LYS 93 12.984 9.975 -5.895 726 1HG LYS 93 2HG LYS 93 12.997 7.084 -5.721 727 2HG LYS 93 1HG LYS 93 13.263 7.659 -7.368 728 1HD LYS 93 2HD LYS 93 14.755 8.932 -5.119 729 2HD LYS 93 1HD LYS 93 15.274 7.352 -5.707 730 1HE LYS 93 2HE LYS 93 15.196 8.427 -8.040 731 2HE LYS 93 1HE LYS 93 15.161 9.965 -7.177 732 1HZ LYS 93 1HZ LYS 93 17.269 9.624 -6.321 733 2HZ LYS 93 2HZ LYS 93 17.412 9.010 -7.891 734 3HZ LYS 93 3HZ LYS 93 17.235 7.952 -6.581 735 H LYS 94 H LYS 94 9.381 9.176 -6.262 736 HA LYS 94 HA LYS 94 8.822 11.898 -5.616 737 1HB LYS 94 2HB LYS 94 8.248 10.659 -7.776 738 2HB LYS 94 1HB LYS 94 6.894 9.974 -6.887 739 1HG LYS 94 2HG LYS 94 6.064 11.835 -8.083 740 2HG LYS 94 1HG LYS 94 6.161 12.320 -6.389 741 1HD LYS 94 2HD LYS 94 8.579 12.860 -7.969 742 2HD LYS 94 1HD LYS 94 7.149 13.764 -8.471 743 1HE LYS 94 2HE LYS 94 6.946 14.136 -5.847 744 2HE LYS 94 1HE LYS 94 8.688 13.882 -5.934 745 1HZ LYS 94 1HZ LYS 94 8.990 15.764 -7.192 746 2HZ LYS 94 2HZ LYS 94 7.717 16.253 -6.191 747 3HZ LYS 94 3HZ LYS 94 7.403 15.776 -7.783 748 H GLY 95 H GLY 95 7.878 8.810 -4.338 749 1HA GLY 95 2HA GLY 95 6.760 9.961 -2.011 750 2HA GLY 95 1HA GLY 95 5.471 9.459 -3.090 751 H ALA 96 H ALA 96 6.943 7.123 -4.116 752 HA ALA 96 HA ALA 96 6.073 5.242 -2.226 753 1HB ALA 96 1HB ALA 96 6.408 3.763 -3.862 754 2HB ALA 96 2HB ALA 96 8.104 4.211 -4.034 755 3HB ALA 96 3HB ALA 96 6.857 5.143 -4.863 756 H TYR 97 H TYR 97 7.699 3.404 -1.563 757 HA TYR 97 HA TYR 97 9.790 4.756 -0.026 758 1HB TYR 97 2HB TYR 97 8.577 3.637 1.555 759 2HB TYR 97 1HB TYR 97 8.066 2.382 0.437 760 HD1 TYR 97 1HD TYR 97 10.656 3.447 2.792 761 HD2 TYR 97 2HD TYR 97 9.433 0.398 0.089 762 HE1 TYR 97 1HE TYR 97 12.312 1.917 3.776 763 HE2 TYR 97 2HE TYR 97 11.085 -1.140 1.064 764 HH TYR 97 HH TYR 97 12.419 -0.859 3.887 765 H GLU 98 H GLU 98 9.451 2.929 -2.784 766 HA GLU 98 HA GLU 98 11.741 2.798 -3.917 767 1HB GLU 98 2HB GLU 98 13.148 0.930 -3.114 768 2HB GLU 98 1HB GLU 98 13.032 2.243 -1.955 769 1HG GLU 98 2HG GLU 98 12.353 0.817 -0.406 770 2HG GLU 98 1HG GLU 98 10.952 0.399 -1.392 771 H PHE 99 H PHE 99 8.989 1.055 -3.047 772 HA PHE 99 HA PHE 99 7.686 -0.347 -4.308 773 1HB PHE 99 2HB PHE 99 9.370 0.692 -6.224 774 2HB PHE 99 1HB PHE 99 9.661 -1.036 -6.366 775 HD1 PHE 99 1HD PHE 99 8.111 -2.446 -7.417 776 HD2 PHE 99 2HD PHE 99 7.033 1.559 -6.463 777 HE1 PHE 99 1HE PHE 99 6.070 -2.677 -8.773 778 HE2 PHE 99 2HE PHE 99 4.994 1.336 -7.820 779 HZ PHE 99 HZ PHE 99 4.509 -0.783 -8.976 780 H LEU 100 H LEU 100 7.346 -2.304 -3.514 781 HA LEU 100 HA LEU 100 9.468 -3.932 -2.517 782 1HB LEU 100 2HB LEU 100 6.681 -3.733 -2.180 783 2HB LEU 100 1HB LEU 100 6.973 -5.346 -2.796 784 HG LEU 100 HG LEU 100 6.961 -5.547 -0.463 785 1HD1 LEU 100 1HD1 LEU 100 8.814 -6.722 -1.586 786 2HD1 LEU 100 2HD1 LEU 100 9.184 -6.299 0.085 787 3HD1 LEU 100 3HD1 LEU 100 9.867 -5.351 -1.236 788 1HD2 LEU 100 1HD2 LEU 100 8.347 -2.946 -0.549 789 2HD2 LEU 100 2HD2 LEU 100 8.831 -4.041 0.745 790 3HD2 LEU 100 3HD2 LEU 100 7.143 -3.557 0.585 791 H GLU 101 H GLU 101 9.871 -6.167 -3.170 792 HA GLU 101 HA GLU 101 9.440 -6.569 -6.057 793 1HB GLU 101 2HB GLU 101 11.759 -7.626 -4.438 794 2HB GLU 101 1HB GLU 101 11.574 -7.663 -6.186 795 1HG GLU 101 2HG GLU 101 11.744 -5.111 -4.612 796 2HG GLU 101 1HG GLU 101 13.156 -5.937 -5.270 797 H LYS 102 H LYS 102 9.181 -8.739 -6.799 798 HA LYS 102 HA LYS 102 8.333 -10.846 -6.751 799 1HB LYS 102 2HB LYS 102 9.925 -10.655 -4.309 800 2HB LYS 102 1HB LYS 102 8.617 -11.821 -4.178 801 1HG LYS 102 2HG LYS 102 9.446 -13.124 -5.930 802 2HG LYS 102 1HG LYS 102 10.489 -11.827 -6.518 803 1HD LYS 102 2HD LYS 102 10.873 -12.994 -3.783 804 2HD LYS 102 1HD LYS 102 11.553 -13.782 -5.208 805 1HE LYS 102 2HE LYS 102 12.260 -11.132 -5.533 806 2HE LYS 102 1HE LYS 102 12.428 -11.393 -3.798 807 1HZ LYS 102 1HZ LYS 102 13.794 -12.822 -5.999 808 2HZ LYS 102 2HZ LYS 102 13.740 -13.443 -4.427 809 3HZ LYS 102 3HZ LYS 102 14.487 -11.955 -4.724 810 HA PRO 103 HA PRO 103 4.468 -9.261 -4.768 811 1HB PRO 103 2HB PRO 103 2.882 -9.615 -6.928 812 2HB PRO 103 1HB PRO 103 3.888 -8.176 -6.715 813 1HG PRO 103 2HG PRO 103 4.406 -10.622 -8.366 814 2HG PRO 103 1HG PRO 103 4.655 -8.916 -8.785 815 1HD PRO 103 2HD PRO 103 6.674 -10.544 -7.978 816 2HD PRO 103 1HD PRO 103 6.654 -8.800 -7.651 817 H PHE 104 H PHE 104 5.300 -11.608 -3.910 818 HA PHE 104 HA PHE 104 2.949 -13.293 -4.148 819 1HB PHE 104 2HB PHE 104 5.067 -13.922 -5.749 820 2HB PHE 104 1HB PHE 104 5.448 -14.853 -4.305 821 HD1 PHE 104 1HD PHE 104 2.176 -14.058 -5.892 822 HD2 PHE 104 2HD PHE 104 4.984 -17.059 -4.792 823 HE1 PHE 104 1HE PHE 104 0.588 -15.798 -6.601 824 HE2 PHE 104 2HE PHE 104 3.402 -18.805 -5.500 825 HZ PHE 104 HZ PHE 104 1.201 -18.175 -6.407 826 H SER 105 H SER 105 2.352 -13.810 -2.158 827 HA SER 105 HA SER 105 2.459 -14.584 -0.005 828 1HB SER 105 2HB SER 105 4.332 -15.624 0.823 829 2HB SER 105 1HB SER 105 4.754 -15.614 -0.888 830 HG SER 105 HG SER 105 6.151 -13.978 -0.550 831 H VAL 106 H VAL 106 4.878 -12.103 -0.784 832 HA VAL 106 HA VAL 106 5.150 -9.984 -0.025 833 HB VAL 106 HB VAL 106 3.481 -8.788 0.968 834 1HG1 VAL 106 1HG1 VAL 106 1.677 -11.039 0.215 835 2HG1 VAL 106 2HG1 VAL 106 2.692 -10.282 -1.014 836 3HG1 VAL 106 3HG1 VAL 106 1.526 -9.312 -0.114 837 1HG2 VAL 106 1HG2 VAL 106 1.720 -10.506 2.321 838 2HG2 VAL 106 2HG2 VAL 106 2.804 -9.301 3.017 839 3HG2 VAL 106 3HG2 VAL 106 3.341 -10.968 2.826 840 H GLU 107 H GLU 107 5.650 -12.726 1.668 841 HA GLU 107 HA GLU 107 6.073 -12.164 4.286 842 1HB GLU 107 2HB GLU 107 6.618 -14.290 2.962 843 2HB GLU 107 1HB GLU 107 8.188 -13.556 2.668 844 1HG GLU 107 2HG GLU 107 7.924 -13.275 5.366 845 2HG GLU 107 1HG GLU 107 7.120 -14.815 5.070 846 H ARG 108 H ARG 108 8.149 -11.225 1.579 847 HA ARG 108 HA ARG 108 10.170 -10.009 3.168 848 1HB ARG 108 2HB ARG 108 10.606 -10.699 0.861 849 2HB ARG 108 1HB ARG 108 9.408 -9.554 0.273 850 1HG ARG 108 2HG ARG 108 11.401 -8.456 -0.112 851 2HG ARG 108 1HG ARG 108 10.879 -7.774 1.429 852 1HD ARG 108 2HD ARG 108 12.296 -9.660 2.480 853 2HD ARG 108 1HD ARG 108 13.039 -9.778 0.884 854 HE ARG 108 HE ARG 108 13.136 -7.111 1.563 855 1HH1 ARG 108 1HH1 ARG 108 14.350 -10.102 2.890 856 2HH1 ARG 108 2HH1 ARG 108 15.741 -9.364 3.610 857 1HH2 ARG 108 1HH2 ARG 108 14.965 -6.138 2.509 858 2HH2 ARG 108 2HH2 ARG 108 16.090 -7.113 3.396 859 H PHE 109 H PHE 109 7.206 -8.911 1.654 860 HA PHE 109 HA PHE 109 7.479 -6.150 2.013 861 1HB PHE 109 2HB PHE 109 5.712 -6.873 0.618 862 2HB PHE 109 1HB PHE 109 5.094 -7.988 1.825 863 HD1 PHE 109 1HD PHE 109 5.961 -4.381 2.107 864 HD2 PHE 109 2HD PHE 109 2.913 -7.349 2.241 865 HE1 PHE 109 1HE PHE 109 4.344 -2.680 2.842 866 HE2 PHE 109 2HE PHE 109 1.290 -5.651 2.977 867 HZ PHE 109 HZ PHE 109 2.005 -3.314 3.278 868 H LEU 110 H LEU 110 6.894 -8.692 4.260 869 HA LEU 110 HA LEU 110 5.597 -7.290 6.319 870 1HB LEU 110 2HB LEU 110 6.257 -9.850 5.919 871 2HB LEU 110 1HB LEU 110 7.519 -9.401 7.049 872 HG LEU 110 HG LEU 110 4.612 -8.903 7.632 873 1HD1 LEU 110 1HD1 LEU 110 4.683 -10.974 8.975 874 2HD1 LEU 110 2HD1 LEU 110 6.252 -11.348 8.261 875 3HD1 LEU 110 3HD1 LEU 110 4.817 -11.267 7.241 876 1HD2 LEU 110 1HD2 LEU 110 7.152 -8.504 9.013 877 2HD2 LEU 110 2HD2 LEU 110 5.956 -9.370 9.976 878 3HD2 LEU 110 3HD2 LEU 110 5.570 -7.783 9.313 879 H LEU 111 H LEU 111 9.037 -8.026 5.836 880 HA LEU 111 HA LEU 111 10.062 -6.799 8.095 881 1HB LEU 111 2HB LEU 111 11.325 -6.928 5.356 882 2HB LEU 111 1HB LEU 111 12.174 -6.607 6.856 883 HG LEU 111 HG LEU 111 10.899 -9.010 7.361 884 1HD1 LEU 111 1HD1 LEU 111 11.754 -8.870 4.487 885 2HD1 LEU 111 2HD1 LEU 111 10.235 -9.462 5.158 886 3HD1 LEU 111 3HD1 LEU 111 11.719 -10.388 5.382 887 1HD2 LEU 111 1HD2 LEU 111 13.076 -8.664 8.135 888 2HD2 LEU 111 2HD2 LEU 111 13.688 -8.287 6.524 889 3HD2 LEU 111 3HD2 LEU 111 13.243 -9.944 6.933 890 H THR 112 H THR 112 9.726 -5.360 4.844 891 HA THR 112 HA THR 112 10.641 -2.824 5.402 892 HB THR 112 HB THR 112 8.375 -3.596 3.554 893 HG1 THR 112 1HG THR 112 10.068 -4.648 2.774 894 1HG2 THR 112 1HG2 THR 112 9.107 -1.623 2.232 895 2HG2 THR 112 2HG2 THR 112 10.090 -1.129 3.611 896 3HG2 THR 112 3HG2 THR 112 8.336 -1.226 3.769 897 H ILE 113 H ILE 113 7.237 -3.867 5.472 898 HA ILE 113 HA ILE 113 5.826 -1.768 6.200 899 HB ILE 113 HB ILE 113 5.746 -4.517 7.394 900 1HG1 ILE 113 2HG1 ILE 113 4.989 -4.090 5.060 901 2HG1 ILE 113 1HG1 ILE 113 3.715 -4.718 6.100 902 1HG2 ILE 113 1HG2 ILE 113 4.334 -2.124 8.396 903 2HG2 ILE 113 2HG2 ILE 113 4.792 -3.608 9.230 904 3HG2 ILE 113 3HG2 ILE 113 3.366 -3.584 8.192 905 1HD1 ILE 113 1HD1 ILE 113 3.370 -2.035 6.372 906 2HD1 ILE 113 2HD1 ILE 113 2.496 -3.062 5.236 907 3HD1 ILE 113 3HD1 ILE 113 3.916 -2.164 4.701 908 H LYS 114 H LYS 114 7.434 -3.621 8.802 909 HA LYS 114 HA LYS 114 7.014 -1.846 10.867 910 1HB LYS 114 2HB LYS 114 8.154 -4.147 10.908 911 2HB LYS 114 1HB LYS 114 9.635 -3.281 10.523 912 1HG LYS 114 2HG LYS 114 7.944 -2.543 12.886 913 2HG LYS 114 1HG LYS 114 9.173 -3.806 12.971 914 1HD LYS 114 2HD LYS 114 10.721 -2.249 13.310 915 2HD LYS 114 1HD LYS 114 10.369 -1.573 11.719 916 1HE LYS 114 2HE LYS 114 9.235 0.164 12.579 917 2HE LYS 114 1HE LYS 114 8.433 -0.837 13.789 918 1HZ LYS 114 1HZ LYS 114 9.972 0.883 14.693 919 2HZ LYS 114 2HZ LYS 114 11.260 0.030 14.007 920 3HZ LYS 114 3HZ LYS 114 10.309 -0.693 15.205 921 H HIS 115 H HIS 115 9.909 -2.043 8.855 922 HA HIS 115 HA HIS 115 11.160 0.288 9.698 923 1HB HIS 115 2HB HIS 115 12.161 -1.485 8.234 924 2HB HIS 115 1HB HIS 115 11.253 -0.806 6.886 925 HD1 HIS 115 1HD HIS 115 13.011 1.299 9.469 926 HD2 HIS 115 2HD HIS 115 13.433 0.158 5.496 927 HE1 HIS 115 1HE HIS 115 14.863 2.731 8.551 928 HE2 HIS 115 2HE HIS 115 15.155 1.966 6.169 929 H ALA 116 H ALA 116 8.409 -0.116 7.613 930 HA ALA 116 HA ALA 116 8.552 2.414 6.315 931 1HB ALA 116 1HB ALA 116 6.015 0.877 6.771 932 2HB ALA 116 2HB ALA 116 7.227 0.347 5.604 933 3HB ALA 116 3HB ALA 116 6.449 1.918 5.416 934 H PHE 117 H PHE 117 6.772 1.229 9.154 935 HA PHE 117 HA PHE 117 5.422 3.657 9.680 936 1HB PHE 117 2HB PHE 117 6.038 1.233 11.353 937 2HB PHE 117 1HB PHE 117 5.210 2.630 12.034 938 HD1 PHE 117 1HD PHE 117 2.915 3.001 11.635 939 HD2 PHE 117 2HD PHE 117 4.991 -0.002 9.454 940 HE1 PHE 117 1HE PHE 117 0.774 2.146 10.780 941 HE2 PHE 117 2HE PHE 117 2.860 -0.860 8.596 942 HZ PHE 117 HZ PHE 117 0.744 0.215 9.255 943 H GLU 118 H GLU 118 8.680 2.808 10.051 944 HA GLU 118 HA GLU 118 9.419 4.157 12.376 945 1HB GLU 118 2HB GLU 118 10.741 2.680 10.569 946 2HB GLU 118 1HB GLU 118 11.288 4.283 10.098 947 1HG GLU 118 2HG GLU 118 11.553 3.018 12.814 948 2HG GLU 118 1HG GLU 118 12.846 3.301 11.649 949 H GLU 119 H GLU 119 8.294 5.413 9.402 950 HA GLU 119 HA GLU 119 9.522 8.021 9.810 951 1HB GLU 119 2HB GLU 119 7.611 7.119 7.650 952 2HB GLU 119 1HB GLU 119 8.525 8.621 7.671 953 1HG GLU 119 2HG GLU 119 10.613 7.326 7.575 954 2HG GLU 119 1HG GLU 119 9.665 5.841 7.486 955 H TYR 120 H TYR 120 7.696 7.148 11.823 956 HA TYR 120 HA TYR 120 5.643 9.229 11.527 957 1HB TYR 120 2HB TYR 120 4.766 6.833 11.247 958 2HB TYR 120 1HB TYR 120 5.102 6.636 12.964 959 HD1 TYR 120 1HD TYR 120 3.296 6.903 14.361 960 HD2 TYR 120 2HD TYR 120 3.435 9.162 10.759 961 HE1 TYR 120 1HE TYR 120 1.112 7.895 14.905 962 HE2 TYR 120 2HE TYR 120 1.253 10.160 11.293 963 HH TYR 120 HH TYR 120 -0.799 8.948 13.642 964 H SER 121 H SER 121 8.313 8.997 12.906 965 HA SER 121 HA SER 121 7.372 9.867 15.549 966 1HB SER 121 2HB SER 121 8.354 7.503 15.561 967 2HB SER 121 1HB SER 121 9.905 8.263 15.206 968 HG SER 121 HG SER 121 8.257 8.685 17.475 Start of MODEL 16 1 1H MET 1 1HT MET 1 -2.545 1.644 16.975 2 2H MET 1 2HT MET 1 -3.430 1.804 15.514 3 3H MET 1 3HT MET 1 -3.538 3.018 16.723 4 HA MET 1 HA MET 1 -2.136 3.961 15.251 5 1HB MET 1 2HB MET 1 -1.251 3.601 17.646 6 2HB MET 1 1HB MET 1 -0.177 2.406 16.930 7 1HG MET 1 2HG MET 1 1.075 3.970 15.844 8 2HG MET 1 1HG MET 1 -0.258 5.116 15.724 9 1HE MET 1 1HE MET 1 2.762 5.205 16.370 10 2HE MET 1 2HE MET 1 3.140 4.595 17.981 11 3HE MET 1 3HE MET 1 3.009 6.331 17.704 12 H LYS 2 H LYS 2 -1.754 0.504 15.394 13 HA LYS 2 HA LYS 2 0.035 0.531 13.076 14 1HB LYS 2 2HB LYS 2 -0.854 -1.792 14.794 15 2HB LYS 2 1HB LYS 2 0.365 -1.848 13.530 16 1HG LYS 2 2HG LYS 2 0.567 -0.184 16.029 17 2HG LYS 2 1HG LYS 2 1.313 -1.768 15.804 18 1HD LYS 2 2HD LYS 2 1.900 0.132 13.657 19 2HD LYS 2 1HD LYS 2 2.493 0.641 15.239 20 1HE LYS 2 2HE LYS 2 2.969 -2.149 14.267 21 2HE LYS 2 1HE LYS 2 3.999 -0.827 13.717 22 1HZ LYS 2 1HZ LYS 2 3.606 -1.787 16.492 23 2HZ LYS 2 2HZ LYS 2 4.346 -0.308 16.136 24 3HZ LYS 2 3HZ LYS 2 5.040 -1.754 15.597 25 H ARG 3 H ARG 3 -1.290 0.989 11.360 26 HA ARG 3 HA ARG 3 -3.133 -1.138 10.580 27 1HB ARG 3 2HB ARG 3 -3.924 1.771 10.398 28 2HB ARG 3 1HB ARG 3 -4.911 0.373 9.994 29 1HG ARG 3 2HG ARG 3 -5.757 0.921 12.042 30 2HG ARG 3 1HG ARG 3 -4.520 -0.249 12.505 31 1HD ARG 3 2HD ARG 3 -3.316 1.287 13.593 32 2HD ARG 3 1HD ARG 3 -3.514 2.481 12.313 33 HE ARG 3 HE ARG 3 -5.170 2.149 14.675 34 1HH1 ARG 3 1HH1 ARG 3 -4.815 3.647 11.538 35 2HH1 ARG 3 2HH1 ARG 3 -5.931 4.924 11.886 36 1HH2 ARG 3 1HH2 ARG 3 -6.637 3.828 15.128 37 2HH2 ARG 3 2HH2 ARG 3 -6.964 5.027 13.921 38 H VAL 4 H VAL 4 -2.794 -1.721 8.523 39 HA VAL 4 HA VAL 4 -1.399 0.198 6.767 40 HB VAL 4 HB VAL 4 -1.287 -2.820 6.614 41 1HG1 VAL 4 1HG1 VAL 4 -0.174 -0.612 4.962 42 2HG1 VAL 4 2HG1 VAL 4 -0.807 -2.183 4.471 43 3HG1 VAL 4 3HG1 VAL 4 0.800 -2.065 5.186 44 1HG2 VAL 4 1HG2 VAL 4 0.779 -0.874 7.641 45 2HG2 VAL 4 2HG2 VAL 4 1.002 -2.612 7.450 46 3HG2 VAL 4 3HG2 VAL 4 -0.161 -1.996 8.623 47 H LEU 5 H LEU 5 -1.951 0.151 4.502 48 HA LEU 5 HA LEU 5 -4.678 -0.857 4.036 49 1HB LEU 5 2HB LEU 5 -4.458 1.620 4.070 50 2HB LEU 5 1HB LEU 5 -3.352 1.509 2.713 51 HG LEU 5 HG LEU 5 -5.178 0.479 1.366 52 1HD1 LEU 5 1HD1 LEU 5 -7.307 0.175 2.136 53 2HD1 LEU 5 2HD1 LEU 5 -7.154 1.411 3.383 54 3HD1 LEU 5 3HD1 LEU 5 -6.395 -0.164 3.606 55 1HD2 LEU 5 1HD2 LEU 5 -6.096 3.115 2.464 56 2HD2 LEU 5 2HD2 LEU 5 -6.189 2.510 0.810 57 3HD2 LEU 5 3HD2 LEU 5 -4.631 2.978 1.492 58 H VAL 6 H VAL 6 -5.046 -2.169 2.370 59 HA VAL 6 HA VAL 6 -2.822 -2.665 0.501 60 HB VAL 6 HB VAL 6 -4.945 -4.645 1.317 61 1HG1 VAL 6 1HG1 VAL 6 -2.709 -4.654 -0.606 62 2HG1 VAL 6 2HG1 VAL 6 -4.229 -5.547 -0.625 63 3HG1 VAL 6 3HG1 VAL 6 -2.891 -6.107 0.377 64 1HG2 VAL 6 1HG2 VAL 6 -3.466 -5.603 2.846 65 2HG2 VAL 6 2HG2 VAL 6 -3.290 -3.870 3.122 66 3HG2 VAL 6 3HG2 VAL 6 -2.078 -4.740 2.184 67 H VAL 7 H VAL 7 -3.537 -1.194 -1.052 68 HA VAL 7 HA VAL 7 -6.214 -1.428 -2.122 69 HB VAL 7 HB VAL 7 -3.949 0.212 -3.255 70 1HG1 VAL 7 1HG1 VAL 7 -6.078 -0.209 -4.575 71 2HG1 VAL 7 2HG1 VAL 7 -5.602 1.474 -4.342 72 3HG1 VAL 7 3HG1 VAL 7 -6.891 0.778 -3.361 73 1HG2 VAL 7 1HG2 VAL 7 -5.871 0.895 -1.041 74 2HG2 VAL 7 2HG2 VAL 7 -4.938 2.097 -1.931 75 3HG2 VAL 7 3HG2 VAL 7 -4.109 0.872 -0.971 76 H ASP 8 H ASP 8 -6.424 -3.388 -3.114 77 HA ASP 8 HA ASP 8 -4.627 -3.893 -5.395 78 1HB ASP 8 2HB ASP 8 -4.258 -5.488 -3.530 79 2HB ASP 8 1HB ASP 8 -5.945 -5.977 -3.638 80 H ASP 9 H ASP 9 -5.565 -4.192 -7.319 81 HA ASP 9 HA ASP 9 -8.241 -3.566 -7.770 82 1HB ASP 9 2HB ASP 9 -6.532 -3.364 -9.505 83 2HB ASP 9 1HB ASP 9 -6.334 -5.112 -9.541 84 H GLU 10 H GLU 10 -6.762 -6.780 -8.304 85 HA GLU 10 HA GLU 10 -8.640 -8.232 -6.833 86 1HB GLU 10 2HB GLU 10 -9.898 -7.217 -9.004 87 2HB GLU 10 1HB GLU 10 -9.310 -8.735 -9.668 88 1HG GLU 10 2HG GLU 10 -10.635 -8.891 -7.039 89 2HG GLU 10 1HG GLU 10 -11.659 -8.470 -8.411 90 H GLU 11 H GLU 11 -7.424 -9.912 -6.313 91 HA GLU 11 HA GLU 11 -6.423 -11.696 -8.307 92 1HB GLU 11 2HB GLU 11 -4.034 -11.433 -7.041 93 2HB GLU 11 1HB GLU 11 -4.428 -10.681 -8.578 94 1HG GLU 11 2HG GLU 11 -5.107 -8.640 -7.363 95 2HG GLU 11 1HG GLU 11 -4.589 -9.402 -5.860 96 H SER 12 H SER 12 -4.842 -11.265 -5.183 97 HA SER 12 HA SER 12 -6.520 -12.882 -3.635 98 1HB SER 12 2HB SER 12 -5.989 -14.697 -5.134 99 2HB SER 12 1HB SER 12 -4.263 -14.372 -4.987 100 HG SER 12 HG SER 12 -6.019 -15.317 -2.971 101 H ILE 13 H ILE 13 -4.518 -10.602 -3.594 102 HA ILE 13 HA ILE 13 -2.529 -11.495 -1.694 103 HB ILE 13 HB ILE 13 -3.167 -8.792 -2.871 104 1HG1 ILE 13 2HG1 ILE 13 -0.947 -9.030 -3.883 105 2HG1 ILE 13 1HG1 ILE 13 -0.725 -10.571 -3.062 106 1HG2 ILE 13 1HG2 ILE 13 -1.110 -9.464 -0.772 107 2HG2 ILE 13 2HG2 ILE 13 -2.473 -8.358 -0.611 108 3HG2 ILE 13 3HG2 ILE 13 -1.141 -7.963 -1.696 109 1HD1 ILE 13 1HD1 ILE 13 -1.368 -10.671 -5.494 110 2HD1 ILE 13 2HD1 ILE 13 -2.957 -10.082 -5.004 111 3HD1 ILE 13 3HD1 ILE 13 -2.360 -11.621 -4.388 112 H THR 14 H THR 14 -5.543 -9.677 -1.676 113 HA THR 14 HA THR 14 -5.431 -8.681 0.935 114 HB THR 14 HB THR 14 -7.888 -8.514 0.780 115 HG1 THR 14 1HG THR 14 -8.883 -9.309 -1.131 116 1HG2 THR 14 1HG2 THR 14 -6.478 -6.853 -0.411 117 2HG2 THR 14 2HG2 THR 14 -8.074 -7.091 -1.122 118 3HG2 THR 14 3HG2 THR 14 -6.656 -7.823 -1.873 119 H SER 15 H SER 15 -6.322 -11.839 -0.298 120 HA SER 15 HA SER 15 -7.234 -12.735 2.315 121 1HB SER 15 2HB SER 15 -8.202 -13.384 -0.040 122 2HB SER 15 1HB SER 15 -6.900 -14.573 -0.025 123 HG SER 15 HG SER 15 -8.754 -14.279 2.095 124 H SER 16 H SER 16 -4.414 -11.976 1.927 125 HA SER 16 HA SER 16 -3.241 -14.293 3.171 126 1HB SER 16 2HB SER 16 -1.404 -14.561 1.585 127 2HB SER 16 1HB SER 16 -2.945 -14.806 0.764 128 HG SER 16 HG SER 16 -2.778 -12.618 0.037 129 H LEU 17 H LEU 17 -2.198 -11.344 1.463 130 HA LEU 17 HA LEU 17 -0.092 -10.685 3.165 131 1HB LEU 17 2HB LEU 17 -0.305 -9.647 1.016 132 2HB LEU 17 1HB LEU 17 -1.871 -8.980 1.425 133 HG LEU 17 HG LEU 17 0.172 -7.416 1.372 134 1HD1 LEU 17 1HD1 LEU 17 -0.799 -5.995 2.997 135 2HD1 LEU 17 2HD1 LEU 17 -1.522 -7.354 3.851 136 3HD1 LEU 17 3HD1 LEU 17 -2.109 -6.910 2.251 137 1HD2 LEU 17 1HD2 LEU 17 1.284 -7.245 3.617 138 2HD2 LEU 17 2HD2 LEU 17 1.747 -8.645 2.650 139 3HD2 LEU 17 3HD2 LEU 17 0.618 -8.833 3.989 140 H SER 18 H SER 18 -3.471 -9.541 3.232 141 HA SER 18 HA SER 18 -3.271 -7.851 5.432 142 1HB SER 18 2HB SER 18 -5.627 -7.923 5.558 143 2HB SER 18 1HB SER 18 -5.278 -8.248 3.861 144 HG SER 18 HG SER 18 -6.835 -9.684 4.944 145 H ALA 19 H ALA 19 -3.970 -11.329 5.324 146 HA ALA 19 HA ALA 19 -4.347 -11.728 8.071 147 1HB ALA 19 1HB ALA 19 -4.932 -13.392 6.363 148 2HB ALA 19 2HB ALA 19 -3.903 -14.079 7.621 149 3HB ALA 19 3HB ALA 19 -3.217 -13.664 6.051 150 H ILE 20 H ILE 20 -1.436 -11.717 6.085 151 HA ILE 20 HA ILE 20 0.395 -12.667 7.960 152 HB ILE 20 HB ILE 20 0.666 -10.853 5.582 153 1HG1 ILE 20 2HG1 ILE 20 2.031 -13.474 6.087 154 2HG1 ILE 20 1HG1 ILE 20 0.360 -13.414 5.536 155 1HG2 ILE 20 1HG2 ILE 20 2.849 -11.585 7.524 156 2HG2 ILE 20 2HG2 ILE 20 2.330 -9.970 7.041 157 3HG2 ILE 20 3HG2 ILE 20 3.150 -11.016 5.882 158 1HD1 ILE 20 1HD1 ILE 20 2.465 -11.913 4.054 159 2HD1 ILE 20 2HD1 ILE 20 0.931 -12.566 3.477 160 3HD1 ILE 20 3HD1 ILE 20 2.280 -13.651 3.818 161 H LEU 21 H LEU 21 -0.102 -9.222 7.099 162 HA LEU 21 HA LEU 21 1.375 -8.092 9.127 163 1HB LEU 21 2HB LEU 21 -1.233 -7.088 7.998 164 2HB LEU 21 1HB LEU 21 -0.073 -6.122 8.889 165 HG LEU 21 HG LEU 21 1.152 -7.471 6.627 166 1HD1 LEU 21 1HD1 LEU 21 -1.145 -7.197 5.746 167 2HD1 LEU 21 2HD1 LEU 21 0.071 -6.269 4.867 168 3HD1 LEU 21 3HD1 LEU 21 -0.997 -5.459 6.013 169 1HD2 LEU 21 1HD2 LEU 21 0.911 -4.624 7.568 170 2HD2 LEU 21 2HD2 LEU 21 1.849 -5.112 6.156 171 3HD2 LEU 21 3HD2 LEU 21 2.284 -5.714 7.757 172 H GLU 22 H GLU 22 -1.827 -9.485 9.248 173 HA GLU 22 HA GLU 22 -2.605 -8.505 11.774 174 1HB GLU 22 2HB GLU 22 -3.950 -9.748 9.894 175 2HB GLU 22 1HB GLU 22 -3.502 -11.180 10.812 176 1HG GLU 22 2HG GLU 22 -4.461 -9.280 12.659 177 2HG GLU 22 1HG GLU 22 -5.588 -9.307 11.304 178 H GLU 23 H GLU 23 -0.515 -11.100 10.776 179 HA GLU 23 HA GLU 23 -0.516 -12.424 13.328 180 1HB GLU 23 2HB GLU 23 -0.076 -13.823 11.471 181 2HB GLU 23 1HB GLU 23 1.106 -12.706 10.805 182 1HG GLU 23 2HG GLU 23 2.775 -13.553 12.015 183 2HG GLU 23 1HG GLU 23 1.781 -13.705 13.463 184 H GLU 24 H GLU 24 1.478 -10.087 11.609 185 HA GLU 24 HA GLU 24 3.599 -10.065 13.491 186 1HB GLU 24 2HB GLU 24 3.166 -8.970 10.994 187 2HB GLU 24 1HB GLU 24 3.247 -7.569 12.053 188 1HG GLU 24 2HG GLU 24 5.333 -9.690 11.643 189 2HG GLU 24 1HG GLU 24 5.433 -7.979 11.234 190 H GLY 25 H GLY 25 0.874 -7.850 12.929 191 1HA GLY 25 2HA GLY 25 -0.163 -7.307 15.239 192 2HA GLY 25 1HA GLY 25 1.416 -6.594 15.513 193 H TYR 26 H TYR 26 -1.016 -6.561 12.903 194 HA TYR 26 HA TYR 26 -0.980 -3.626 13.017 195 1HB TYR 26 2HB TYR 26 -0.845 -5.238 10.462 196 2HB TYR 26 1HB TYR 26 -0.932 -3.486 10.576 197 HD1 TYR 26 1HD TYR 26 1.003 -2.286 11.759 198 HD2 TYR 26 2HD TYR 26 1.223 -6.318 10.428 199 HE1 TYR 26 1HE TYR 26 3.456 -2.162 11.812 200 HE2 TYR 26 2HE TYR 26 3.677 -6.207 10.473 201 HH TYR 26 HH TYR 26 5.397 -4.187 12.082 202 H HIS 27 H HIS 27 -2.720 -2.957 11.140 203 HA HIS 27 HA HIS 27 -5.129 -4.585 11.504 204 1HB HIS 27 2HB HIS 27 -4.745 -2.338 13.005 205 2HB HIS 27 1HB HIS 27 -5.579 -1.670 11.606 206 HD1 HIS 27 1HD HIS 27 -6.080 -3.877 14.565 207 HD2 HIS 27 2HD HIS 27 -8.257 -2.488 11.310 208 HE1 HIS 27 1HE HIS 27 -8.478 -4.440 15.071 209 HE2 HIS 27 2HE HIS 27 -9.771 -3.645 13.059 210 HA PRO 28 HA PRO 28 -4.243 -3.426 7.066 211 1HB PRO 28 2HB PRO 28 -5.708 -5.993 6.781 212 2HB PRO 28 1HB PRO 28 -4.247 -5.430 5.962 213 1HG PRO 28 2HG PRO 28 -4.114 -7.262 7.894 214 2HG PRO 28 1HG PRO 28 -2.871 -6.007 7.731 215 1HD PRO 28 2HD PRO 28 -5.113 -6.217 9.690 216 2HD PRO 28 1HD PRO 28 -3.465 -5.601 9.923 217 H ASP 29 H ASP 29 -5.665 -2.705 5.510 218 HA ASP 29 HA ASP 29 -8.507 -2.839 6.170 219 1HB ASP 29 2HB ASP 29 -7.050 -0.580 6.608 220 2HB ASP 29 1HB ASP 29 -7.750 -0.274 5.022 221 H THR 30 H THR 30 -6.426 -3.682 3.956 222 HA THR 30 HA THR 30 -6.429 -3.301 1.574 223 HB THR 30 HB THR 30 -7.073 -5.415 0.853 224 HG1 THR 30 1HG THR 30 -9.022 -5.311 2.898 225 1HG2 THR 30 1HG2 THR 30 -6.032 -6.800 2.288 226 2HG2 THR 30 2HG2 THR 30 -6.969 -6.248 3.677 227 3HG2 THR 30 3HG2 THR 30 -5.613 -5.285 3.087 228 H ALA 31 H ALA 31 -7.305 -2.291 -0.034 229 HA ALA 31 HA ALA 31 -10.234 -2.091 -0.227 230 1HB ALA 31 1HB ALA 31 -9.768 0.050 0.516 231 2HB ALA 31 2HB ALA 31 -9.697 0.255 -1.233 232 3HB ALA 31 3HB ALA 31 -8.207 0.107 -0.301 233 H LYS 32 H LYS 32 -10.908 -1.426 -2.492 234 HA LYS 32 HA LYS 32 -9.478 -3.074 -4.378 235 1HB LYS 32 2HB LYS 32 -11.802 -1.274 -5.043 236 2HB LYS 32 1HB LYS 32 -11.307 -2.757 -5.846 237 1HG LYS 32 2HG LYS 32 -11.978 -4.049 -3.888 238 2HG LYS 32 1HG LYS 32 -12.471 -2.562 -3.076 239 1HD LYS 32 2HD LYS 32 -14.472 -3.381 -3.933 240 2HD LYS 32 1HD LYS 32 -13.973 -2.202 -5.149 241 1HE LYS 32 2HE LYS 32 -12.762 -4.404 -6.107 242 2HE LYS 32 1HE LYS 32 -14.148 -5.145 -5.310 243 1HZ LYS 32 1HZ LYS 32 -15.628 -3.823 -6.608 244 2HZ LYS 32 2HZ LYS 32 -14.534 -4.560 -7.669 245 3HZ LYS 32 3HZ LYS 32 -14.355 -2.927 -7.270 246 H THR 33 H THR 33 -9.882 -1.634 -6.771 247 HA THR 33 HA THR 33 -7.530 -0.311 -7.086 248 HB THR 33 HB THR 33 -9.858 0.716 -8.637 249 HG1 THR 33 1HG THR 33 -9.892 -1.261 -9.802 250 1HG2 THR 33 1HG2 THR 33 -7.017 0.150 -9.112 251 2HG2 THR 33 2HG2 THR 33 -8.067 1.384 -9.807 252 3HG2 THR 33 3HG2 THR 33 -8.111 -0.266 -10.431 253 H LEU 34 H LEU 34 -7.213 1.997 -7.725 254 HA LEU 34 HA LEU 34 -7.172 3.707 -5.682 255 1HB LEU 34 2HB LEU 34 -7.844 4.718 -8.435 256 2HB LEU 34 1HB LEU 34 -6.885 5.511 -7.200 257 HG LEU 34 HG LEU 34 -6.089 3.066 -8.782 258 1HD1 LEU 34 1HD1 LEU 34 -4.213 4.720 -9.424 259 2HD1 LEU 34 2HD1 LEU 34 -5.356 5.960 -8.908 260 3HD1 LEU 34 3HD1 LEU 34 -5.784 4.855 -10.214 261 1HD2 LEU 34 1HD2 LEU 34 -5.012 4.280 -6.315 262 2HD2 LEU 34 2HD2 LEU 34 -3.836 3.829 -7.550 263 3HD2 LEU 34 3HD2 LEU 34 -4.934 2.615 -6.892 264 H ARG 35 H ARG 35 -10.009 3.172 -7.700 265 HA ARG 35 HA ARG 35 -11.580 5.317 -6.891 266 1HB ARG 35 2HB ARG 35 -12.327 2.484 -7.620 267 2HB ARG 35 1HB ARG 35 -13.528 3.728 -7.299 268 1HG ARG 35 2HG ARG 35 -12.529 5.086 -9.121 269 2HG ARG 35 1HG ARG 35 -11.461 3.730 -9.486 270 1HD ARG 35 2HD ARG 35 -14.459 3.481 -9.436 271 2HD ARG 35 1HD ARG 35 -13.562 3.921 -10.889 272 HE ARG 35 HE ARG 35 -12.352 1.641 -10.053 273 1HH1 ARG 35 1HH1 ARG 35 -15.662 2.501 -10.744 274 2HH1 ARG 35 2HH1 ARG 35 -16.104 0.904 -11.244 275 1HH2 ARG 35 1HH2 ARG 35 -12.931 -0.461 -10.712 276 2HH2 ARG 35 2HH2 ARG 35 -14.554 -0.779 -11.227 277 H GLU 36 H GLU 36 -11.736 2.015 -5.556 278 HA GLU 36 HA GLU 36 -13.223 2.760 -3.273 279 1HB GLU 36 2HB GLU 36 -11.625 0.335 -4.025 280 2HB GLU 36 1HB GLU 36 -12.292 0.492 -2.407 281 1HG GLU 36 2HG GLU 36 -13.788 -0.802 -3.751 282 2HG GLU 36 1HG GLU 36 -14.537 0.753 -3.394 283 H ALA 37 H ALA 37 -9.777 2.545 -3.942 284 HA ALA 37 HA ALA 37 -8.863 2.682 -1.277 285 1HB ALA 37 1HB ALA 37 -7.093 4.043 -3.110 286 2HB ALA 37 2HB ALA 37 -7.693 2.539 -3.808 287 3HB ALA 37 3HB ALA 37 -6.866 2.520 -2.252 288 H GLU 38 H GLU 38 -8.830 5.305 -3.699 289 HA GLU 38 HA GLU 38 -8.241 7.416 -2.099 290 1HB GLU 38 2HB GLU 38 -9.886 7.130 -4.543 291 2HB GLU 38 1HB GLU 38 -10.037 8.640 -3.655 292 1HG GLU 38 2HG GLU 38 -7.368 8.438 -3.744 293 2HG GLU 38 1HG GLU 38 -7.784 7.579 -5.227 294 H LYS 39 H LYS 39 -11.418 5.924 -2.498 295 HA LYS 39 HA LYS 39 -12.860 7.736 -0.897 296 1HB LYS 39 2HB LYS 39 -13.890 6.032 -2.388 297 2HB LYS 39 1HB LYS 39 -13.379 4.781 -1.263 298 1HG LYS 39 2HG LYS 39 -15.088 7.047 -0.329 299 2HG LYS 39 1HG LYS 39 -15.801 5.663 -1.162 300 1HD LYS 39 2HD LYS 39 -14.437 4.269 0.565 301 2HD LYS 39 1HD LYS 39 -14.408 5.776 1.483 302 1HE LYS 39 2HE LYS 39 -17.027 4.926 0.403 303 2HE LYS 39 1HE LYS 39 -16.359 3.953 1.712 304 1HZ LYS 39 1HZ LYS 39 -17.521 5.540 2.859 305 2HZ LYS 39 2HZ LYS 39 -17.204 6.766 1.736 306 3HZ LYS 39 3HZ LYS 39 -15.994 6.265 2.805 307 H LYS 40 H LYS 40 -11.348 4.618 -0.113 308 HA LYS 40 HA LYS 40 -11.909 4.690 2.647 309 1HB LYS 40 2HB LYS 40 -9.794 3.233 1.072 310 2HB LYS 40 1HB LYS 40 -10.051 2.992 2.794 311 1HG LYS 40 2HG LYS 40 -12.272 2.638 0.814 312 2HG LYS 40 1HG LYS 40 -11.135 1.341 1.179 313 1HD LYS 40 2HD LYS 40 -12.403 2.731 3.472 314 2HD LYS 40 1HD LYS 40 -13.421 1.658 2.511 315 1HE LYS 40 2HE LYS 40 -11.017 0.272 2.929 316 2HE LYS 40 1HE LYS 40 -11.426 1.009 4.479 317 1HZ LYS 40 1HZ LYS 40 -13.656 0.018 4.266 318 2HZ LYS 40 2HZ LYS 40 -12.430 -1.146 4.329 319 3HZ LYS 40 3HZ LYS 40 -13.162 -0.767 2.851 320 H ILE 41 H ILE 41 -9.238 5.954 0.741 321 HA ILE 41 HA ILE 41 -7.718 6.687 3.098 322 HB ILE 41 HB ILE 41 -7.172 7.471 0.246 323 1HG1 ILE 41 2HG1 ILE 41 -6.033 5.100 1.732 324 2HG1 ILE 41 1HG1 ILE 41 -7.380 4.980 0.605 325 1HG2 ILE 41 1HG2 ILE 41 -5.661 7.622 2.806 326 2HG2 ILE 41 2HG2 ILE 41 -5.777 8.793 1.492 327 3HG2 ILE 41 3HG2 ILE 41 -4.770 7.357 1.307 328 1HD1 ILE 41 1HD1 ILE 41 -5.910 4.702 -1.018 329 2HD1 ILE 41 2HD1 ILE 41 -4.570 5.024 0.082 330 3HD1 ILE 41 3HD1 ILE 41 -5.364 6.358 -0.757 331 H LYS 42 H LYS 42 -10.322 8.031 1.499 332 HA LYS 42 HA LYS 42 -9.493 10.792 1.947 333 1HB LYS 42 2HB LYS 42 -11.618 9.462 0.385 334 2HB LYS 42 1HB LYS 42 -12.005 11.041 1.053 335 1HG LYS 42 2HG LYS 42 -9.667 11.663 -0.008 336 2HG LYS 42 1HG LYS 42 -10.056 10.295 -1.052 337 1HD LYS 42 2HD LYS 42 -12.405 11.826 -0.862 338 2HD LYS 42 1HD LYS 42 -11.089 12.977 -1.101 339 1HE LYS 42 2HE LYS 42 -11.907 12.338 -3.253 340 2HE LYS 42 1HE LYS 42 -10.327 11.589 -3.030 341 1HZ LYS 42 1HZ LYS 42 -11.400 9.514 -2.489 342 2HZ LYS 42 2HZ LYS 42 -11.960 10.062 -3.989 343 3HZ LYS 42 3HZ LYS 42 -12.931 10.222 -2.614 344 H GLU 43 H GLU 43 -9.918 8.983 4.190 345 HA GLU 43 HA GLU 43 -11.778 10.652 5.667 346 1HB GLU 43 2HB GLU 43 -12.113 7.649 5.596 347 2HB GLU 43 1HB GLU 43 -13.050 8.777 6.568 348 1HG GLU 43 2HG GLU 43 -13.958 9.783 4.546 349 2HG GLU 43 1HG GLU 43 -13.002 8.678 3.559 350 H LEU 44 H LEU 44 -9.791 7.693 5.899 351 HA LEU 44 HA LEU 44 -8.946 8.560 8.572 352 1HB LEU 44 2HB LEU 44 -9.687 6.399 8.822 353 2HB LEU 44 1HB LEU 44 -9.195 5.926 7.209 354 HG LEU 44 HG LEU 44 -7.081 6.513 9.234 355 1HD1 LEU 44 1HD1 LEU 44 -7.260 3.927 9.637 356 2HD1 LEU 44 2HD1 LEU 44 -8.960 4.211 9.263 357 3HD1 LEU 44 3HD1 LEU 44 -8.197 5.067 10.604 358 1HD2 LEU 44 1HD2 LEU 44 -7.003 4.230 7.363 359 2HD2 LEU 44 2HD2 LEU 44 -5.735 5.364 7.825 360 3HD2 LEU 44 3HD2 LEU 44 -6.957 5.840 6.647 361 H PHE 45 H PHE 45 -6.712 8.426 9.160 362 HA PHE 45 HA PHE 45 -4.951 9.153 6.946 363 1HB PHE 45 2HB PHE 45 -5.152 10.556 9.049 364 2HB PHE 45 1HB PHE 45 -4.331 9.253 9.901 365 HD1 PHE 45 1HD PHE 45 -3.940 11.572 7.022 366 HD2 PHE 45 2HD PHE 45 -2.018 9.195 9.983 367 HE1 PHE 45 1HE PHE 45 -1.768 12.526 6.372 368 HE2 PHE 45 2HE PHE 45 0.159 10.145 9.339 369 HZ PHE 45 HZ PHE 45 0.287 11.812 7.531 370 H PHE 46 H PHE 46 -4.597 7.089 6.054 371 HA PHE 46 HA PHE 46 -3.669 4.883 7.583 372 1HB PHE 46 2HB PHE 46 -3.828 5.514 4.660 373 2HB PHE 46 1HB PHE 46 -2.904 4.115 5.195 374 HD1 PHE 46 1HD PHE 46 -6.041 5.230 4.149 375 HD2 PHE 46 2HD PHE 46 -4.195 2.543 6.884 376 HE1 PHE 46 1HE PHE 46 -8.114 3.909 4.243 377 HE2 PHE 46 2HE PHE 46 -6.266 1.216 6.984 378 HZ PHE 46 HZ PHE 46 -8.230 1.902 5.665 379 HA PRO 47 HA PRO 47 0.577 6.288 7.901 380 1HB PRO 47 2HB PRO 47 1.528 4.229 9.339 381 2HB PRO 47 1HB PRO 47 0.453 5.437 10.053 382 1HG PRO 47 2HG PRO 47 -0.184 2.694 9.042 383 2HG PRO 47 1HG PRO 47 -0.740 3.497 10.522 384 1HD PRO 47 2HD PRO 47 -2.236 3.330 8.238 385 2HD PRO 47 1HD PRO 47 -2.399 4.639 9.424 386 H VAL 48 H VAL 48 -0.455 3.193 6.664 387 HA VAL 48 HA VAL 48 1.851 3.157 4.865 388 HB VAL 48 HB VAL 48 0.890 0.603 6.118 389 1HG1 VAL 48 1HG1 VAL 48 3.047 1.448 4.300 390 2HG1 VAL 48 2HG1 VAL 48 2.204 -0.097 4.425 391 3HG1 VAL 48 3HG1 VAL 48 3.511 0.286 5.544 392 1HG2 VAL 48 1HG2 VAL 48 1.563 1.770 8.020 393 2HG2 VAL 48 2HG2 VAL 48 2.886 2.572 7.171 394 3HG2 VAL 48 3HG2 VAL 48 2.995 0.852 7.551 395 H ILE 49 H ILE 49 1.324 2.739 2.844 396 HA ILE 49 HA ILE 49 -1.319 1.587 2.259 397 HB ILE 49 HB ILE 49 0.095 3.466 0.387 398 1HG1 ILE 49 2HG1 ILE 49 -0.178 4.633 2.553 399 2HG1 ILE 49 1HG1 ILE 49 -1.194 5.324 1.292 400 1HG2 ILE 49 1HG2 ILE 49 -2.800 2.707 0.742 401 2HG2 ILE 49 2HG2 ILE 49 -1.714 2.119 -0.517 402 3HG2 ILE 49 3HG2 ILE 49 -2.169 3.822 -0.469 403 1HD1 ILE 49 1HD1 ILE 49 -2.064 3.489 3.508 404 2HD1 ILE 49 2HD1 ILE 49 -3.103 4.041 2.194 405 3HD1 ILE 49 3HD1 ILE 49 -2.432 5.205 3.335 406 H VAL 50 H VAL 50 -1.472 0.294 0.369 407 HA VAL 50 HA VAL 50 1.030 -0.532 -0.892 408 HB VAL 50 HB VAL 50 -0.869 -2.525 0.355 409 1HG1 VAL 50 1HG1 VAL 50 1.767 -3.434 -0.517 410 2HG1 VAL 50 2HG1 VAL 50 0.741 -2.875 -1.838 411 3HG1 VAL 50 3HG1 VAL 50 0.178 -4.158 -0.766 412 1HG2 VAL 50 1HG2 VAL 50 0.881 -3.001 1.934 413 2HG2 VAL 50 2HG2 VAL 50 0.520 -1.276 1.988 414 3HG2 VAL 50 3HG2 VAL 50 1.960 -1.849 1.146 415 H LEU 51 H LEU 51 0.587 -0.065 -2.931 416 HA LEU 51 HA LEU 51 -2.084 -0.603 -3.990 417 1HB LEU 51 2HB LEU 51 -1.194 1.608 -4.416 418 2HB LEU 51 1HB LEU 51 0.251 0.925 -5.138 419 HG LEU 51 HG LEU 51 -1.041 0.067 -7.009 420 1HD1 LEU 51 1HD1 LEU 51 -3.148 -0.500 -6.412 421 2HD1 LEU 51 2HD1 LEU 51 -3.497 1.119 -7.016 422 3HD1 LEU 51 3HD1 LEU 51 -3.310 0.847 -5.284 423 1HD2 LEU 51 1HD2 LEU 51 -2.010 2.870 -6.754 424 2HD2 LEU 51 2HD2 LEU 51 -1.240 2.060 -8.118 425 3HD2 LEU 51 3HD2 LEU 51 -0.273 2.566 -6.734 426 H ASP 52 H ASP 52 -1.923 -2.871 -4.121 427 HA ASP 52 HA ASP 52 0.141 -4.211 -5.528 428 1HB ASP 52 2HB ASP 52 -1.868 -5.019 -3.882 429 2HB ASP 52 1HB ASP 52 -2.510 -5.507 -5.446 430 H VAL 53 H VAL 53 0.130 -2.669 -7.381 431 HA VAL 53 HA VAL 53 -1.899 -2.387 -9.233 432 HB VAL 53 HB VAL 53 0.062 -1.030 -9.438 433 1HG1 VAL 53 1HG1 VAL 53 2.236 -1.768 -9.748 434 2HG1 VAL 53 2HG1 VAL 53 1.724 -3.353 -10.323 435 3HG1 VAL 53 3HG1 VAL 53 1.580 -2.948 -8.615 436 1HG2 VAL 53 1HG2 VAL 53 0.095 -0.907 -11.695 437 2HG2 VAL 53 2HG2 VAL 53 -1.196 -2.102 -11.554 438 3HG2 VAL 53 3HG2 VAL 53 0.456 -2.623 -11.890 439 H TRP 54 H TRP 54 -2.995 -4.401 -9.408 440 HA TRP 54 HA TRP 54 -1.691 -6.739 -10.407 441 1HB TRP 54 2HB TRP 54 -3.709 -6.974 -9.088 442 2HB TRP 54 1HB TRP 54 -4.618 -5.986 -10.225 443 HD1 TRP 54 HD TRP 54 -6.283 -7.553 -11.370 444 HE1 TRP 54 1HE TRP 54 -6.164 -9.860 -12.500 445 HE3 TRP 54 3HE TRP 54 -1.408 -8.708 -10.348 446 HZ2 TRP 54 2HZ TRP 54 -4.257 -11.903 -12.907 447 HZ3 TRP 54 3HZ TRP 54 -0.515 -10.858 -11.144 448 HH2 TRP 54 HH TRP 54 -1.911 -12.422 -12.396 449 H MET 55 H MET 55 -4.456 -5.177 -11.982 450 HA MET 55 HA MET 55 -2.993 -4.561 -14.365 451 1HB MET 55 2HB MET 55 -4.324 -6.081 -15.837 452 2HB MET 55 1HB MET 55 -3.187 -6.913 -14.786 453 1HG MET 55 2HG MET 55 -4.797 -8.092 -13.832 454 2HG MET 55 1HG MET 55 -5.768 -6.653 -13.527 455 1HE MET 55 1HE MET 55 -4.403 -8.958 -16.025 456 2HE MET 55 2HE MET 55 -5.350 -8.673 -17.485 457 3HE MET 55 3HE MET 55 -5.856 -9.909 -16.335 458 HA PRO 56 HA PRO 56 -7.101 -2.416 -13.773 459 1HB PRO 56 2HB PRO 56 -6.021 -0.148 -12.474 460 2HB PRO 56 1HB PRO 56 -6.964 -1.440 -11.735 461 1HG PRO 56 2HG PRO 56 -4.272 -0.870 -11.238 462 2HG PRO 56 1HG PRO 56 -5.125 -2.354 -10.788 463 1HD PRO 56 2HD PRO 56 -3.331 -1.826 -13.114 464 2HD PRO 56 1HD PRO 56 -3.534 -3.304 -12.154 465 H ASP 57 H ASP 57 -7.036 0.410 -13.915 466 HA ASP 57 HA ASP 57 -5.316 1.225 -16.067 467 1HB ASP 57 2HB ASP 57 -7.179 1.714 -17.651 468 2HB ASP 57 1HB ASP 57 -6.922 -0.007 -17.386 469 H GLY 58 H GLY 58 -5.465 2.324 -13.617 470 1HA GLY 58 2HA GLY 58 -7.006 4.807 -14.060 471 2HA GLY 58 1HA GLY 58 -6.765 4.104 -12.469 472 H ASP 59 H ASP 59 -4.017 3.806 -14.433 473 HA ASP 59 HA ASP 59 -1.929 4.697 -14.253 474 1HB ASP 59 2HB ASP 59 -3.770 6.835 -14.878 475 2HB ASP 59 1HB ASP 59 -2.409 7.451 -13.945 476 H GLY 60 H GLY 60 -1.682 3.701 -12.142 477 1HA GLY 60 2HA GLY 60 -2.266 5.014 -9.724 478 2HA GLY 60 1HA GLY 60 -1.084 3.733 -9.928 479 H VAL 61 H VAL 61 0.275 5.547 -12.006 480 HA VAL 61 HA VAL 61 2.344 6.485 -10.467 481 HB VAL 61 HB VAL 61 1.425 7.758 -13.043 482 1HG1 VAL 61 1HG1 VAL 61 3.972 7.734 -11.489 483 2HG1 VAL 61 2HG1 VAL 61 3.133 9.086 -12.249 484 3HG1 VAL 61 3HG1 VAL 61 4.008 7.921 -13.242 485 1HG2 VAL 61 1HG2 VAL 61 2.702 5.137 -12.479 486 2HG2 VAL 61 2HG2 VAL 61 3.275 6.047 -13.876 487 3HG2 VAL 61 3HG2 VAL 61 1.574 5.596 -13.755 488 H ASN 62 H ASN 62 -0.530 8.263 -11.552 489 HA ASN 62 HA ASN 62 0.263 10.712 -10.307 490 1HB ASN 62 2HB ASN 62 -1.871 9.802 -12.019 491 2HB ASN 62 1HB ASN 62 -2.532 10.743 -10.685 492 1HD2 ASN 62 1HD2 ASN 62 -0.850 10.816 -13.637 493 2HD2 ASN 62 2HD2 ASN 62 -0.571 12.520 -13.707 494 H PHE 63 H PHE 63 -1.418 7.869 -9.282 495 HA PHE 63 HA PHE 63 -2.902 8.899 -7.140 496 1HB PHE 63 2HB PHE 63 -3.144 6.605 -8.069 497 2HB PHE 63 1HB PHE 63 -1.606 6.173 -7.332 498 HD1 PHE 63 1HD PHE 63 -4.391 8.202 -5.941 499 HD2 PHE 63 2HD PHE 63 -2.149 4.591 -5.729 500 HE1 PHE 63 1HE PHE 63 -5.562 7.601 -3.863 501 HE2 PHE 63 2HE PHE 63 -3.316 3.984 -3.650 502 HZ PHE 63 HZ PHE 63 -5.026 5.489 -2.716 503 H ILE 64 H ILE 64 0.456 7.824 -7.342 504 HA ILE 64 HA ILE 64 1.204 7.708 -4.715 505 HB ILE 64 HB ILE 64 2.767 8.855 -7.029 506 1HG1 ILE 64 2HG1 ILE 64 3.776 6.363 -6.174 507 2HG1 ILE 64 1HG1 ILE 64 2.025 6.188 -6.228 508 1HG2 ILE 64 1HG2 ILE 64 4.779 8.396 -5.657 509 2HG2 ILE 64 2HG2 ILE 64 3.726 8.061 -4.283 510 3HG2 ILE 64 3HG2 ILE 64 3.761 9.674 -4.995 511 1HD1 ILE 64 1HD1 ILE 64 3.698 7.226 -8.499 512 2HD1 ILE 64 2HD1 ILE 64 1.977 6.846 -8.528 513 3HD1 ILE 64 3HD1 ILE 64 3.160 5.556 -8.326 514 H ASP 65 H ASP 65 0.403 10.557 -6.560 515 HA ASP 65 HA ASP 65 1.533 12.419 -4.698 516 1HB ASP 65 2HB ASP 65 1.197 12.990 -7.078 517 2HB ASP 65 1HB ASP 65 -0.545 12.867 -6.855 518 H PHE 66 H PHE 66 -1.702 11.105 -5.300 519 HA PHE 66 HA PHE 66 -3.132 12.716 -3.528 520 1HB PHE 66 2HB PHE 66 -4.400 11.379 -5.002 521 2HB PHE 66 1HB PHE 66 -3.543 9.910 -4.550 522 HD1 PHE 66 1HD PHE 66 -3.966 8.903 -2.300 523 HD2 PHE 66 2HD PHE 66 -6.354 12.050 -3.882 524 HE1 PHE 66 1HE PHE 66 -5.743 8.356 -0.693 525 HE2 PHE 66 2HE PHE 66 -8.139 11.508 -2.278 526 HZ PHE 66 HZ PHE 66 -7.835 9.658 -0.679 527 H ILE 67 H ILE 67 -1.357 9.701 -2.983 528 HA ILE 67 HA ILE 67 -2.096 9.354 -0.283 529 HB ILE 67 HB ILE 67 0.360 8.417 -1.775 530 1HG1 ILE 67 2HG1 ILE 67 -1.039 6.194 -1.327 531 2HG1 ILE 67 1HG1 ILE 67 -2.377 7.336 -1.292 532 1HG2 ILE 67 1HG2 ILE 67 1.182 8.109 0.309 533 2HG2 ILE 67 2HG2 ILE 67 0.152 6.679 0.265 534 3HG2 ILE 67 3HG2 ILE 67 -0.412 8.148 1.061 535 1HD1 ILE 67 1HD1 ILE 67 -0.562 7.678 -3.558 536 2HD1 ILE 67 2HD1 ILE 67 -2.324 7.642 -3.502 537 3HD1 ILE 67 3HD1 ILE 67 -1.412 6.133 -3.519 538 H LYS 68 H LYS 68 0.598 11.061 -1.824 539 HA LYS 68 HA LYS 68 1.712 11.856 0.717 540 1HB LYS 68 2HB LYS 68 3.484 12.788 -0.482 541 2HB LYS 68 1HB LYS 68 3.012 11.402 -1.451 542 1HG LYS 68 2HG LYS 68 2.804 12.727 -3.199 543 2HG LYS 68 1HG LYS 68 1.503 13.588 -2.378 544 1HD LYS 68 2HD LYS 68 2.897 15.268 -1.639 545 2HD LYS 68 1HD LYS 68 4.337 14.250 -1.720 546 1HE LYS 68 2HE LYS 68 4.652 14.634 -3.945 547 2HE LYS 68 1HE LYS 68 2.929 14.833 -4.265 548 1HZ LYS 68 1HZ LYS 68 3.160 16.991 -2.966 549 2HZ LYS 68 2HZ LYS 68 3.829 16.951 -4.519 550 3HZ LYS 68 3HZ LYS 68 4.832 16.808 -3.163 551 H GLU 69 H GLU 69 -0.794 12.938 -1.249 552 HA GLU 69 HA GLU 69 -0.559 15.748 -0.739 553 1HB GLU 69 2HB GLU 69 -1.767 14.668 -2.698 554 2HB GLU 69 1HB GLU 69 -3.048 14.269 -1.565 555 1HG GLU 69 2HG GLU 69 -3.090 16.768 -1.023 556 2HG GLU 69 1HG GLU 69 -2.147 16.965 -2.499 557 H ASN 70 H ASN 70 -2.378 13.054 0.615 558 HA ASN 70 HA ASN 70 -3.190 14.797 2.848 559 1HB ASN 70 2HB ASN 70 -4.668 12.282 2.131 560 2HB ASN 70 1HB ASN 70 -5.242 13.686 3.025 561 1HD2 ASN 70 1HD2 ASN 70 -4.117 12.689 -0.177 562 2HD2 ASN 70 2HD2 ASN 70 -5.143 13.756 -1.065 563 H SER 71 H SER 71 -0.908 12.701 2.179 564 HA SER 71 HA SER 71 -0.669 11.794 4.899 565 1HB SER 71 2HB SER 71 -1.656 10.005 2.810 566 2HB SER 71 1HB SER 71 -0.205 9.387 3.598 567 HG SER 71 HG SER 71 -1.242 9.334 5.506 568 HA PRO 72 HA PRO 72 3.281 12.559 2.547 569 1HB PRO 72 2HB PRO 72 3.876 14.666 4.436 570 2HB PRO 72 1HB PRO 72 3.654 14.785 2.690 571 1HG PRO 72 2HG PRO 72 1.913 15.832 4.525 572 2HG PRO 72 1HG PRO 72 1.450 15.348 2.885 573 1HD PRO 72 2HD PRO 72 1.074 13.893 5.471 574 2HD PRO 72 1HD PRO 72 -0.024 14.026 4.080 575 H ASP 73 H ASP 73 2.346 11.962 5.756 576 HA ASP 73 HA ASP 73 5.074 11.167 6.506 577 1HB ASP 73 2HB ASP 73 3.426 12.790 7.888 578 2HB ASP 73 1HB ASP 73 2.983 11.234 8.583 579 H SER 74 H SER 74 3.237 9.630 4.824 580 HA SER 74 HA SER 74 2.683 7.326 6.561 581 1HB SER 74 2HB SER 74 0.760 8.211 5.283 582 2HB SER 74 1HB SER 74 1.637 7.920 3.782 583 HG SER 74 HG SER 74 0.190 6.202 5.261 584 H VAL 75 H VAL 75 2.538 5.487 4.322 585 HA VAL 75 HA VAL 75 5.242 5.468 3.237 586 HB VAL 75 HB VAL 75 4.251 3.101 4.826 587 1HG1 VAL 75 1HG1 VAL 75 6.233 3.407 2.799 588 2HG1 VAL 75 2HG1 VAL 75 5.820 1.967 3.728 589 3HG1 VAL 75 3HG1 VAL 75 7.048 3.082 4.329 590 1HG2 VAL 75 1HG2 VAL 75 4.787 4.679 6.463 591 2HG2 VAL 75 2HG2 VAL 75 6.124 5.342 5.523 592 3HG2 VAL 75 3HG2 VAL 75 6.277 3.754 6.275 593 H VAL 76 H VAL 76 5.427 4.494 1.332 594 HA VAL 76 HA VAL 76 3.080 3.009 0.327 595 HB VAL 76 HB VAL 76 4.778 4.466 -1.626 596 1HG1 VAL 76 1HG1 VAL 76 2.729 2.917 -2.027 597 2HG1 VAL 76 2HG1 VAL 76 2.902 4.402 -2.962 598 3HG1 VAL 76 3HG1 VAL 76 1.797 4.349 -1.589 599 1HG2 VAL 76 1HG2 VAL 76 2.776 5.818 0.177 600 2HG2 VAL 76 2HG2 VAL 76 3.348 6.502 -1.345 601 3HG2 VAL 76 3HG2 VAL 76 4.481 6.218 -0.024 602 H ILE 77 H ILE 77 3.593 0.958 0.081 603 HA ILE 77 HA ILE 77 6.269 0.278 -0.942 604 HB ILE 77 HB ILE 77 4.433 -1.507 0.661 605 1HG1 ILE 77 2HG1 ILE 77 5.268 0.415 1.984 606 2HG1 ILE 77 1HG1 ILE 77 5.925 -1.118 2.547 607 1HG2 ILE 77 1HG2 ILE 77 5.753 -3.048 -0.325 608 2HG2 ILE 77 2HG2 ILE 77 6.902 -2.555 0.919 609 3HG2 ILE 77 3HG2 ILE 77 7.018 -1.878 -0.705 610 1HD1 ILE 77 1HD1 ILE 77 7.934 -0.547 1.037 611 2HD1 ILE 77 2HD1 ILE 77 7.755 0.287 2.581 612 3HD1 ILE 77 3HD1 ILE 77 7.293 1.095 1.083 613 H VAL 78 H VAL 78 4.361 1.055 -2.742 614 HA VAL 78 HA VAL 78 2.604 -0.712 -3.841 615 HB VAL 78 HB VAL 78 4.532 1.014 -5.411 616 1HG1 VAL 78 1HG1 VAL 78 1.775 0.515 -6.354 617 2HG1 VAL 78 2HG1 VAL 78 2.894 -0.842 -6.461 618 3HG1 VAL 78 3HG1 VAL 78 3.274 0.680 -7.266 619 1HG2 VAL 78 1HG2 VAL 78 2.020 1.620 -3.916 620 2HG2 VAL 78 2HG2 VAL 78 2.411 2.532 -5.373 621 3HG2 VAL 78 3HG2 VAL 78 3.525 2.535 -4.005 622 H ILE 79 H ILE 79 2.790 -2.772 -4.380 623 HA ILE 79 HA ILE 79 5.385 -3.783 -5.323 624 HB ILE 79 HB ILE 79 3.193 -5.648 -4.527 625 1HG1 ILE 79 2HG1 ILE 79 4.964 -4.285 -2.494 626 2HG1 ILE 79 1HG1 ILE 79 3.280 -3.852 -2.768 627 1HG2 ILE 79 1HG2 ILE 79 5.536 -6.492 -3.395 628 2HG2 ILE 79 2HG2 ILE 79 6.099 -5.669 -4.848 629 3HG2 ILE 79 3HG2 ILE 79 4.939 -6.989 -4.974 630 1HD1 ILE 79 1HD1 ILE 79 3.186 -5.260 -0.939 631 2HD1 ILE 79 2HD1 ILE 79 4.413 -6.349 -1.587 632 3HD1 ILE 79 3HD1 ILE 79 2.794 -6.328 -2.285 633 H THR 80 H THR 80 3.956 -6.265 -6.321 634 HA THR 80 HA THR 80 3.230 -7.071 -8.311 635 HB THR 80 HB THR 80 1.493 -4.920 -9.127 636 HG1 THR 80 1HG THR 80 1.366 -4.141 -7.116 637 1HG2 THR 80 1HG2 THR 80 -0.133 -6.794 -8.025 638 2HG2 THR 80 2HG2 THR 80 1.294 -7.746 -8.434 639 3HG2 THR 80 3HG2 THR 80 0.468 -6.815 -9.684 640 H GLY 81 H GLY 81 2.873 -6.448 -10.725 641 1HA GLY 81 2HA GLY 81 3.495 -4.971 -12.523 642 2HA GLY 81 1HA GLY 81 4.766 -4.326 -11.495 643 H HIS 82 H HIS 82 3.737 -7.246 -13.222 644 HA HIS 82 HA HIS 82 6.507 -8.195 -13.240 645 1HB HIS 82 2HB HIS 82 5.470 -10.274 -14.244 646 2HB HIS 82 1HB HIS 82 4.972 -9.898 -12.598 647 HD1 HIS 82 1HD HIS 82 2.513 -9.356 -12.204 648 HD2 HIS 82 2HD HIS 82 3.460 -9.910 -16.212 649 HE1 HIS 82 1HE HIS 82 0.306 -9.495 -13.403 650 HE2 HIS 82 2HE HIS 82 0.904 -9.916 -15.814 651 H GLY 83 H GLY 83 5.593 -5.900 -14.845 652 1HA GLY 83 2HA GLY 83 5.841 -6.990 -17.568 653 2HA GLY 83 1HA GLY 83 5.235 -5.391 -17.164 654 H SER 84 H SER 84 7.294 -4.661 -15.348 655 HA SER 84 HA SER 84 9.885 -4.981 -16.347 656 1HB SER 84 2HB SER 84 10.218 -2.820 -17.498 657 2HB SER 84 1HB SER 84 9.055 -3.837 -18.349 658 HG SER 84 HG SER 84 8.706 -1.403 -17.145 659 H VAL 85 H VAL 85 11.337 -3.068 -15.600 660 HA VAL 85 HA VAL 85 10.474 -2.396 -12.885 661 HB VAL 85 HB VAL 85 12.896 -1.781 -12.557 662 1HG1 VAL 85 1HG1 VAL 85 12.075 -4.572 -13.305 663 2HG1 VAL 85 2HG1 VAL 85 12.218 -3.860 -11.697 664 3HG1 VAL 85 3HG1 VAL 85 13.667 -4.206 -12.641 665 1HG2 VAL 85 1HG2 VAL 85 14.447 -1.962 -14.186 666 2HG2 VAL 85 2HG2 VAL 85 13.056 -1.743 -15.248 667 3HG2 VAL 85 3HG2 VAL 85 13.669 -3.365 -14.919 668 H ASP 86 H ASP 86 9.469 -0.933 -15.191 669 HA ASP 86 HA ASP 86 10.759 1.680 -14.851 670 1HB ASP 86 2HB ASP 86 10.479 0.813 -17.166 671 2HB ASP 86 1HB ASP 86 8.734 0.840 -16.932 672 H THR 87 H THR 87 7.969 -0.089 -13.963 673 HA THR 87 HA THR 87 6.290 2.234 -13.586 674 HB THR 87 HB THR 87 5.587 -0.278 -14.039 675 HG1 THR 87 1HG THR 87 3.658 0.456 -13.635 676 1HG2 THR 87 1HG2 THR 87 6.655 -1.003 -11.817 677 2HG2 THR 87 2HG2 THR 87 5.039 -1.592 -12.209 678 3HG2 THR 87 3HG2 THR 87 5.240 -0.262 -11.068 679 H ALA 88 H ALA 88 8.365 0.158 -11.691 680 HA ALA 88 HA ALA 88 7.685 1.036 -9.122 681 1HB ALA 88 1HB ALA 88 10.082 0.365 -8.579 682 2HB ALA 88 2HB ALA 88 10.237 -0.050 -10.286 683 3HB ALA 88 3HB ALA 88 9.052 -0.882 -9.282 684 H VAL 89 H VAL 89 10.412 2.038 -11.162 685 HA VAL 89 HA VAL 89 11.226 4.194 -9.591 686 HB VAL 89 HB VAL 89 12.511 4.944 -11.482 687 1HG1 VAL 89 1HG1 VAL 89 13.178 2.832 -10.341 688 2HG1 VAL 89 2HG1 VAL 89 13.749 2.961 -12.005 689 3HG1 VAL 89 3HG1 VAL 89 12.363 1.939 -11.626 690 1HG2 VAL 89 1HG2 VAL 89 12.206 4.018 -13.732 691 2HG2 VAL 89 2HG2 VAL 89 10.765 4.875 -13.185 692 3HG2 VAL 89 3HG2 VAL 89 10.803 3.112 -13.166 693 H LYS 90 H LYS 90 8.705 3.917 -11.999 694 HA LYS 90 HA LYS 90 8.294 6.733 -12.314 695 1HB LYS 90 2HB LYS 90 7.667 5.143 -14.066 696 2HB LYS 90 1HB LYS 90 6.494 4.403 -12.985 697 1HG LYS 90 2HG LYS 90 5.087 6.268 -13.048 698 2HG LYS 90 1HG LYS 90 6.347 7.305 -13.717 699 1HD LYS 90 2HD LYS 90 5.266 4.920 -15.196 700 2HD LYS 90 1HD LYS 90 4.538 6.522 -15.324 701 1HE LYS 90 2HE LYS 90 7.151 7.105 -15.747 702 2HE LYS 90 1HE LYS 90 7.053 5.487 -16.441 703 1HZ LYS 90 1HZ LYS 90 6.589 7.187 -18.091 704 2HZ LYS 90 2HZ LYS 90 5.312 7.785 -17.157 705 3HZ LYS 90 3HZ LYS 90 5.218 6.233 -17.825 706 H ALA 91 H ALA 91 7.618 4.626 -9.797 707 HA ALA 91 HA ALA 91 5.416 6.342 -8.852 708 1HB ALA 91 1HB ALA 91 4.620 4.438 -7.542 709 2HB ALA 91 2HB ALA 91 5.932 3.447 -8.181 710 3HB ALA 91 3HB ALA 91 4.678 4.055 -9.262 711 H ILE 92 H ILE 92 8.402 4.684 -7.991 712 HA ILE 92 HA ILE 92 8.348 5.614 -5.267 713 HB ILE 92 HB ILE 92 10.396 4.490 -4.943 714 1HG1 ILE 92 2HG1 ILE 92 10.695 4.426 -7.951 715 2HG1 ILE 92 1HG1 ILE 92 11.648 5.397 -6.837 716 1HG2 ILE 92 1HG2 ILE 92 9.983 2.289 -6.289 717 2HG2 ILE 92 2HG2 ILE 92 8.504 3.107 -6.785 718 3HG2 ILE 92 3HG2 ILE 92 8.822 2.824 -5.077 719 1HD1 ILE 92 1HD1 ILE 92 12.242 3.087 -5.787 720 2HD1 ILE 92 2HD1 ILE 92 13.063 3.644 -7.246 721 3HD1 ILE 92 3HD1 ILE 92 11.752 2.471 -7.366 722 H LYS 93 H LYS 93 10.010 6.971 -4.328 723 HA LYS 93 HA LYS 93 11.434 8.759 -4.228 724 1HB LYS 93 2HB LYS 93 11.381 8.922 -7.242 725 2HB LYS 93 1HB LYS 93 12.563 9.625 -6.149 726 1HG LYS 93 2HG LYS 93 12.484 6.820 -5.694 727 2HG LYS 93 1HG LYS 93 12.628 7.107 -7.429 728 1HD LYS 93 2HD LYS 93 14.483 8.769 -6.795 729 2HD LYS 93 1HD LYS 93 14.465 7.975 -5.218 730 1HE LYS 93 2HE LYS 93 14.714 5.789 -6.533 731 2HE LYS 93 1HE LYS 93 15.153 6.813 -7.899 732 1HZ LYS 93 1HZ LYS 93 17.013 7.653 -6.716 733 2HZ LYS 93 2HZ LYS 93 17.061 5.968 -6.566 734 3HZ LYS 93 3HZ LYS 93 16.525 6.919 -5.272 735 H LYS 94 H LYS 94 8.905 8.994 -6.710 736 HA LYS 94 HA LYS 94 8.485 11.779 -6.400 737 1HB LYS 94 2HB LYS 94 7.807 10.317 -8.368 738 2HB LYS 94 1HB LYS 94 6.445 9.799 -7.385 739 1HG LYS 94 2HG LYS 94 5.554 11.499 -8.676 740 2HG LYS 94 1HG LYS 94 5.931 12.309 -7.154 741 1HD LYS 94 2HD LYS 94 8.115 12.301 -9.118 742 2HD LYS 94 1HD LYS 94 6.680 13.201 -9.613 743 1HE LYS 94 2HE LYS 94 7.463 14.896 -8.401 744 2HE LYS 94 1HE LYS 94 7.062 13.945 -6.972 745 1HZ LYS 94 1HZ LYS 94 9.639 14.572 -8.097 746 2HZ LYS 94 2HZ LYS 94 9.459 12.942 -7.686 747 3HZ LYS 94 3HZ LYS 94 9.226 14.141 -6.515 748 H GLY 95 H GLY 95 7.448 9.006 -4.622 749 1HA GLY 95 2HA GLY 95 6.377 10.557 -2.522 750 2HA GLY 95 1HA GLY 95 5.062 9.935 -3.505 751 H ALA 96 H ALA 96 6.568 7.430 -4.125 752 HA ALA 96 HA ALA 96 5.727 5.989 -1.788 753 1HB ALA 96 1HB ALA 96 6.851 4.075 -3.302 754 2HB ALA 96 2HB ALA 96 6.540 5.292 -4.539 755 3HB ALA 96 3HB ALA 96 5.213 4.675 -3.556 756 H TYR 97 H TYR 97 7.258 4.080 -1.145 757 HA TYR 97 HA TYR 97 9.779 5.331 -0.345 758 1HB TYR 97 2HB TYR 97 8.544 4.614 1.547 759 2HB TYR 97 1HB TYR 97 8.153 3.069 0.802 760 HD1 TYR 97 1HD TYR 97 10.927 5.048 2.267 761 HD2 TYR 97 2HD TYR 97 9.547 1.195 1.105 762 HE1 TYR 97 1HE TYR 97 12.853 4.021 3.401 763 HE2 TYR 97 2HE TYR 97 11.467 0.158 2.236 764 HH TYR 97 HH TYR 97 13.923 1.034 2.870 765 H GLU 98 H GLU 98 8.579 3.072 -2.512 766 HA GLU 98 HA GLU 98 10.611 2.434 -4.032 767 1HB GLU 98 2HB GLU 98 11.727 0.381 -3.089 768 2HB GLU 98 1HB GLU 98 12.150 1.880 -2.282 769 1HG GLU 98 2HG GLU 98 11.689 0.817 -0.388 770 2HG GLU 98 1HG GLU 98 9.993 0.986 -0.832 771 H PHE 99 H PHE 99 10.709 -0.148 -4.615 772 HA PHE 99 HA PHE 99 7.896 -1.026 -4.697 773 1HB PHE 99 2HB PHE 99 9.668 -0.423 -6.839 774 2HB PHE 99 1HB PHE 99 9.392 -2.160 -6.855 775 HD1 PHE 99 1HD PHE 99 7.747 -2.824 -8.291 776 HD2 PHE 99 2HD PHE 99 7.320 0.896 -6.267 777 HE1 PHE 99 1HE PHE 99 5.590 -2.463 -9.419 778 HE2 PHE 99 2HE PHE 99 5.161 1.262 -7.391 779 HZ PHE 99 HZ PHE 99 4.293 -0.419 -8.967 780 H LEU 100 H LEU 100 7.472 -3.031 -3.992 781 HA LEU 100 HA LEU 100 9.711 -4.660 -3.080 782 1HB LEU 100 2HB LEU 100 7.407 -4.015 -1.853 783 2HB LEU 100 1HB LEU 100 6.912 -5.510 -2.615 784 HG LEU 100 HG LEU 100 7.611 -6.349 -0.626 785 1HD1 LEU 100 1HD1 LEU 100 9.071 -7.284 -2.419 786 2HD1 LEU 100 2HD1 LEU 100 9.764 -7.360 -0.800 787 3HD1 LEU 100 3HD1 LEU 100 10.311 -6.129 -1.937 788 1HD2 LEU 100 1HD2 LEU 100 9.682 -4.163 -0.498 789 2HD2 LEU 100 2HD2 LEU 100 9.415 -5.387 0.745 790 3HD2 LEU 100 3HD2 LEU 100 8.150 -4.214 0.374 791 H GLU 101 H GLU 101 9.526 -4.616 -5.820 792 HA GLU 101 HA GLU 101 8.177 -7.100 -6.584 793 1HB GLU 101 2HB GLU 101 8.545 -6.404 -8.886 794 2HB GLU 101 1HB GLU 101 7.770 -5.113 -7.976 795 1HG GLU 101 2HG GLU 101 9.688 -3.807 -7.953 796 2HG GLU 101 1HG GLU 101 10.741 -5.174 -8.312 797 H LYS 102 H LYS 102 11.282 -5.882 -5.831 798 HA LYS 102 HA LYS 102 13.008 -7.319 -7.416 799 1HB LYS 102 2HB LYS 102 13.172 -5.867 -4.996 800 2HB LYS 102 1HB LYS 102 13.958 -7.413 -4.704 801 1HG LYS 102 2HG LYS 102 15.769 -6.666 -5.725 802 2HG LYS 102 1HG LYS 102 14.849 -6.500 -7.220 803 1HD LYS 102 2HD LYS 102 14.681 -4.264 -7.015 804 2HD LYS 102 1HD LYS 102 14.430 -4.344 -5.271 805 1HE LYS 102 2HE LYS 102 16.705 -4.370 -4.817 806 2HE LYS 102 1HE LYS 102 17.122 -4.933 -6.435 807 1HZ LYS 102 1HZ LYS 102 16.408 -2.215 -5.549 808 2HZ LYS 102 2HZ LYS 102 16.186 -2.666 -7.165 809 3HZ LYS 102 3HZ LYS 102 17.729 -2.721 -6.476 810 HA PRO 103 HA PRO 103 12.735 -11.143 -4.538 811 1HB PRO 103 2HB PRO 103 10.990 -11.165 -2.488 812 2HB PRO 103 1HB PRO 103 12.594 -10.436 -2.344 813 1HG PRO 103 2HG PRO 103 9.949 -9.117 -2.818 814 2HG PRO 103 1HG PRO 103 11.267 -8.624 -1.740 815 1HD PRO 103 2HD PRO 103 10.847 -7.524 -4.202 816 2HD PRO 103 1HD PRO 103 12.444 -7.623 -3.437 817 H PHE 104 H PHE 104 10.776 -12.744 -3.700 818 HA PHE 104 HA PHE 104 8.528 -12.452 -5.558 819 1HB PHE 104 2HB PHE 104 8.743 -14.774 -6.290 820 2HB PHE 104 1HB PHE 104 10.206 -13.870 -6.670 821 HD1 PHE 104 1HD PHE 104 12.272 -14.275 -5.435 822 HD2 PHE 104 2HD PHE 104 8.759 -16.563 -4.700 823 HE1 PHE 104 1HE PHE 104 13.622 -15.959 -4.254 824 HE2 PHE 104 2HE PHE 104 10.102 -18.250 -3.516 825 HZ PHE 104 HZ PHE 104 12.536 -17.950 -3.291 826 H SER 105 H SER 105 8.770 -12.121 -2.679 827 HA SER 105 HA SER 105 6.677 -13.997 -1.896 828 1HB SER 105 2HB SER 105 9.100 -13.512 -0.149 829 2HB SER 105 1HB SER 105 7.745 -14.585 0.195 830 HG SER 105 HG SER 105 9.975 -15.136 -1.128 831 H VAL 106 H VAL 106 6.281 -13.318 0.674 832 HA VAL 106 HA VAL 106 5.808 -10.408 0.568 833 HB VAL 106 HB VAL 106 3.722 -11.680 0.374 834 1HG1 VAL 106 1HG1 VAL 106 4.173 -12.724 3.152 835 2HG1 VAL 106 2HG1 VAL 106 4.642 -13.643 1.722 836 3HG1 VAL 106 3HG1 VAL 106 2.952 -13.208 1.974 837 1HG2 VAL 106 1HG2 VAL 106 3.843 -10.437 3.112 838 2HG2 VAL 106 2HG2 VAL 106 2.479 -10.488 1.996 839 3HG2 VAL 106 3HG2 VAL 106 3.884 -9.488 1.626 840 H GLU 107 H GLU 107 7.464 -12.845 2.195 841 HA GLU 107 HA GLU 107 7.263 -11.965 4.866 842 1HB GLU 107 2HB GLU 107 8.280 -14.147 3.823 843 2HB GLU 107 1HB GLU 107 9.764 -13.204 3.813 844 1HG GLU 107 2HG GLU 107 8.436 -12.998 6.357 845 2HG GLU 107 1HG GLU 107 8.708 -14.685 5.920 846 H ARG 108 H ARG 108 9.604 -11.273 2.288 847 HA ARG 108 HA ARG 108 11.284 -9.572 3.742 848 1HB ARG 108 2HB ARG 108 11.313 -10.540 1.219 849 2HB ARG 108 1HB ARG 108 10.799 -8.889 0.899 850 1HG ARG 108 2HG ARG 108 13.181 -9.421 2.624 851 2HG ARG 108 1HG ARG 108 13.315 -9.464 0.865 852 1HD ARG 108 2HD ARG 108 12.108 -7.137 2.336 853 2HD ARG 108 1HD ARG 108 13.837 -7.253 2.011 854 HE ARG 108 HE ARG 108 12.267 -7.610 -0.346 855 1HH1 ARG 108 1HH1 ARG 108 13.592 -5.205 1.808 856 2HH1 ARG 108 2HH1 ARG 108 13.624 -3.962 0.603 857 1HH2 ARG 108 1HH2 ARG 108 12.309 -5.976 -1.933 858 2HH2 ARG 108 2HH2 ARG 108 12.895 -4.399 -1.521 859 H PHE 109 H PHE 109 8.219 -9.032 2.154 860 HA PHE 109 HA PHE 109 8.216 -6.211 2.211 861 1HB PHE 109 2HB PHE 109 6.637 -7.370 0.809 862 2HB PHE 109 1HB PHE 109 5.963 -8.230 2.188 863 HD1 PHE 109 1HD PHE 109 6.776 -4.619 1.917 864 HD2 PHE 109 2HD PHE 109 3.728 -7.578 2.170 865 HE1 PHE 109 1HE PHE 109 5.087 -2.852 2.194 866 HE2 PHE 109 2HE PHE 109 2.034 -5.815 2.446 867 HZ PHE 109 HZ PHE 109 2.714 -3.449 2.458 868 H LEU 110 H LEU 110 7.254 -8.675 4.529 869 HA LEU 110 HA LEU 110 5.913 -7.122 6.393 870 1HB LEU 110 2HB LEU 110 7.046 -9.725 6.271 871 2HB LEU 110 1HB LEU 110 7.471 -8.999 7.809 872 HG LEU 110 HG LEU 110 4.635 -9.009 6.828 873 1HD1 LEU 110 1HD1 LEU 110 4.521 -11.016 8.503 874 2HD1 LEU 110 2HD1 LEU 110 6.209 -11.225 8.036 875 3HD1 LEU 110 3HD1 LEU 110 4.943 -11.276 6.810 876 1HD2 LEU 110 1HD2 LEU 110 4.789 -7.580 8.634 877 2HD2 LEU 110 2HD2 LEU 110 6.045 -8.537 9.418 878 3HD2 LEU 110 3HD2 LEU 110 4.377 -9.107 9.413 879 H LEU 111 H LEU 111 9.390 -7.830 6.198 880 HA LEU 111 HA LEU 111 10.208 -6.453 8.474 881 1HB LEU 111 2HB LEU 111 11.613 -7.000 5.875 882 2HB LEU 111 1HB LEU 111 12.406 -6.216 7.227 883 HG LEU 111 HG LEU 111 11.223 -8.567 8.254 884 1HD1 LEU 111 1HD1 LEU 111 11.305 -9.098 5.683 885 2HD1 LEU 111 2HD1 LEU 111 11.778 -10.307 6.876 886 3HD1 LEU 111 3HD1 LEU 111 13.012 -9.382 6.021 887 1HD2 LEU 111 1HD2 LEU 111 13.143 -8.012 9.319 888 2HD2 LEU 111 2HD2 LEU 111 13.928 -7.444 7.845 889 3HD2 LEU 111 3HD2 LEU 111 13.823 -9.172 8.178 890 H THR 112 H THR 112 9.828 -5.282 5.147 891 HA THR 112 HA THR 112 10.782 -2.673 5.607 892 HB THR 112 HB THR 112 8.794 -3.664 3.552 893 HG1 THR 112 1HG THR 112 11.578 -3.207 3.297 894 1HG2 THR 112 1HG2 THR 112 9.642 -1.742 2.198 895 2HG2 THR 112 2HG2 THR 112 10.364 -1.107 3.676 896 3HG2 THR 112 3HG2 THR 112 8.615 -1.304 3.563 897 H ILE 113 H ILE 113 7.566 -4.099 5.840 898 HA ILE 113 HA ILE 113 6.067 -1.781 6.204 899 HB ILE 113 HB ILE 113 5.698 -4.646 6.889 900 1HG1 ILE 113 2HG1 ILE 113 5.025 -3.683 4.716 901 2HG1 ILE 113 1HG1 ILE 113 3.655 -4.352 5.598 902 1HG2 ILE 113 1HG2 ILE 113 4.966 -3.758 8.965 903 2HG2 ILE 113 2HG2 ILE 113 3.520 -4.110 8.020 904 3HG2 ILE 113 3HG2 ILE 113 4.091 -2.449 8.173 905 1HD1 ILE 113 1HD1 ILE 113 4.368 -1.474 5.165 906 2HD1 ILE 113 2HD1 ILE 113 3.214 -1.985 6.397 907 3HD1 ILE 113 3HD1 ILE 113 2.899 -2.330 4.695 908 H LYS 114 H LYS 114 7.491 -3.895 8.701 909 HA LYS 114 HA LYS 114 6.711 -2.537 10.954 910 1HB LYS 114 2HB LYS 114 8.023 -4.691 10.840 911 2HB LYS 114 1HB LYS 114 9.463 -3.715 10.585 912 1HG LYS 114 2HG LYS 114 7.761 -3.100 12.938 913 2HG LYS 114 1HG LYS 114 8.753 -4.559 12.981 914 1HD LYS 114 2HD LYS 114 9.759 -1.768 12.427 915 2HD LYS 114 1HD LYS 114 9.914 -2.627 13.960 916 1HE LYS 114 2HE LYS 114 10.938 -4.409 12.121 917 2HE LYS 114 1HE LYS 114 11.495 -2.847 11.524 918 1HZ LYS 114 1HZ LYS 114 12.801 -2.521 13.329 919 2HZ LYS 114 2HZ LYS 114 12.814 -4.212 13.342 920 3HZ LYS 114 3HZ LYS 114 11.782 -3.365 14.382 921 H HIS 115 H HIS 115 9.804 -2.095 9.251 922 HA HIS 115 HA HIS 115 10.660 0.156 10.633 923 1HB HIS 115 2HB HIS 115 12.098 -1.145 9.120 924 2HB HIS 115 1HB HIS 115 11.183 -0.551 7.738 925 HD1 HIS 115 1HD HIS 115 12.245 1.358 6.599 926 HD2 HIS 115 2HD HIS 115 13.276 1.203 10.622 927 HE1 HIS 115 1HE HIS 115 13.858 3.255 6.953 928 HE2 HIS 115 2HE HIS 115 14.532 3.090 9.375 929 H ALA 116 H ALA 116 8.355 -0.143 8.014 930 HA ALA 116 HA ALA 116 8.282 2.543 7.187 931 1HB ALA 116 1HB ALA 116 5.673 1.465 6.972 932 2HB ALA 116 2HB ALA 116 6.817 0.157 6.665 933 3HB ALA 116 3HB ALA 116 6.893 1.638 5.711 934 H PHE 117 H PHE 117 6.628 0.827 9.780 935 HA PHE 117 HA PHE 117 4.983 3.043 10.534 936 1HB PHE 117 2HB PHE 117 5.608 0.354 11.699 937 2HB PHE 117 1HB PHE 117 4.782 1.556 12.686 938 HD1 PHE 117 1HD PHE 117 2.590 2.457 11.928 939 HD2 PHE 117 2HD PHE 117 4.465 -0.856 10.026 940 HE1 PHE 117 1HE PHE 117 0.442 1.834 10.911 941 HE2 PHE 117 2HE PHE 117 2.318 -1.485 9.004 942 HZ PHE 117 HZ PHE 117 0.302 -0.135 9.446 943 H GLU 118 H GLU 118 8.167 1.900 11.361 944 HA GLU 118 HA GLU 118 8.564 3.158 13.814 945 1HB GLU 118 2HB GLU 118 10.572 2.697 11.603 946 2HB GLU 118 1HB GLU 118 10.968 3.075 13.274 947 1HG GLU 118 2HG GLU 118 9.827 0.989 13.964 948 2HG GLU 118 1HG GLU 118 9.591 0.600 12.261 949 H GLU 119 H GLU 119 8.500 4.473 10.591 950 HA GLU 119 HA GLU 119 9.505 7.051 11.535 951 1HB GLU 119 2HB GLU 119 8.879 6.043 8.761 952 2HB GLU 119 1HB GLU 119 9.427 7.675 9.118 953 1HG GLU 119 2HG GLU 119 11.290 6.068 10.372 954 2HG GLU 119 1HG GLU 119 10.940 5.220 8.867 955 H TYR 120 H TYR 120 6.891 6.020 12.349 956 HA TYR 120 HA TYR 120 5.109 7.952 11.029 957 1HB TYR 120 2HB TYR 120 4.387 5.571 11.009 958 2HB TYR 120 1HB TYR 120 4.363 5.593 12.770 959 HD1 TYR 120 1HD TYR 120 2.368 6.062 13.842 960 HD2 TYR 120 2HD TYR 120 2.931 7.442 9.857 961 HE1 TYR 120 1HE TYR 120 0.048 6.879 13.804 962 HE2 TYR 120 2HE TYR 120 0.614 8.262 9.808 963 HH TYR 120 HH TYR 120 -1.705 7.358 11.991 964 H SER 121 H SER 121 7.109 8.561 13.116 965 HA SER 121 HA SER 121 5.277 9.870 14.985 966 1HB SER 121 2HB SER 121 6.362 7.671 15.904 967 2HB SER 121 1HB SER 121 7.807 8.668 16.064 968 HG SER 121 HG SER 121 5.269 9.305 17.164 Start of MODEL 17 1 1H MET 1 1HT MET 1 -3.575 3.068 16.638 2 2H MET 1 2HT MET 1 -3.049 1.464 16.327 3 3H MET 1 3HT MET 1 -3.346 2.541 15.023 4 HA MET 1 HA MET 1 -1.592 3.987 16.041 5 1HB MET 1 2HB MET 1 -1.767 2.340 18.117 6 2HB MET 1 1HB MET 1 -0.555 1.443 17.211 7 1HG MET 1 2HG MET 1 1.059 2.948 17.617 8 2HG MET 1 1HG MET 1 -0.039 4.321 17.485 9 1HE MET 1 1HE MET 1 -0.956 1.326 19.644 10 2HE MET 1 2HE MET 1 -0.306 1.694 21.242 11 3HE MET 1 3HE MET 1 0.781 1.222 19.935 12 H LYS 2 H LYS 2 -1.282 0.494 15.366 13 HA LYS 2 HA LYS 2 0.491 1.181 13.117 14 1HB LYS 2 2HB LYS 2 0.337 -1.362 14.740 15 2HB LYS 2 1HB LYS 2 1.377 -1.125 13.342 16 1HG LYS 2 2HG LYS 2 1.599 0.841 15.545 17 2HG LYS 2 1HG LYS 2 2.228 -0.784 15.831 18 1HD LYS 2 2HD LYS 2 2.996 0.295 13.234 19 2HD LYS 2 1HD LYS 2 3.567 1.277 14.584 20 1HE LYS 2 2HE LYS 2 5.106 -0.581 13.783 21 2HE LYS 2 1HE LYS 2 4.776 -0.511 15.514 22 1HZ LYS 2 1HZ LYS 2 2.938 -2.158 14.014 23 2HZ LYS 2 2HZ LYS 2 3.739 -2.477 15.470 24 3HZ LYS 2 3HZ LYS 2 4.535 -2.716 13.998 25 H ARG 3 H ARG 3 -1.053 1.430 11.525 26 HA ARG 3 HA ARG 3 -2.354 -1.049 10.675 27 1HB ARG 3 2HB ARG 3 -4.377 0.211 10.044 28 2HB ARG 3 1HB ARG 3 -4.085 0.211 11.778 29 1HG ARG 3 2HG ARG 3 -2.976 2.453 10.225 30 2HG ARG 3 1HG ARG 3 -4.727 2.389 10.431 31 1HD ARG 3 2HD ARG 3 -3.740 1.819 12.951 32 2HD ARG 3 1HD ARG 3 -2.650 3.065 12.348 33 HE ARG 3 HE ARG 3 -5.497 3.344 12.901 34 1HH1 ARG 3 1HH1 ARG 3 -2.568 4.780 11.646 35 2HH1 ARG 3 2HH1 ARG 3 -3.177 6.398 11.742 36 1HH2 ARG 3 1HH2 ARG 3 -6.292 5.470 13.024 37 2HH2 ARG 3 2HH2 ARG 3 -5.288 6.789 12.524 38 H VAL 4 H VAL 4 -2.454 -1.385 8.484 39 HA VAL 4 HA VAL 4 -1.239 0.700 6.788 40 HB VAL 4 HB VAL 4 -0.836 -2.268 6.423 41 1HG1 VAL 4 1HG1 VAL 4 1.100 -1.431 5.025 42 2HG1 VAL 4 2HG1 VAL 4 0.372 0.167 5.141 43 3HG1 VAL 4 3HG1 VAL 4 -0.510 -1.146 4.368 44 1HG2 VAL 4 1HG2 VAL 4 1.139 -0.311 7.592 45 2HG2 VAL 4 2HG2 VAL 4 1.338 -2.053 7.406 46 3HG2 VAL 4 3HG2 VAL 4 0.159 -1.418 8.554 47 H LEU 5 H LEU 5 -1.729 0.420 4.452 48 HA LEU 5 HA LEU 5 -4.408 -0.728 4.041 49 1HB LEU 5 2HB LEU 5 -4.344 1.770 4.039 50 2HB LEU 5 1HB LEU 5 -3.257 1.701 2.665 51 HG LEU 5 HG LEU 5 -5.008 0.578 1.343 52 1HD1 LEU 5 1HD1 LEU 5 -7.359 0.746 2.360 53 2HD1 LEU 5 2HD1 LEU 5 -6.525 0.834 3.912 54 3HD1 LEU 5 3HD1 LEU 5 -6.316 -0.579 2.877 55 1HD2 LEU 5 1HD2 LEU 5 -6.696 2.714 1.850 56 2HD2 LEU 5 2HD2 LEU 5 -5.343 2.690 0.721 57 3HD2 LEU 5 3HD2 LEU 5 -5.110 3.291 2.362 58 H VAL 6 H VAL 6 -4.596 -2.171 2.438 59 HA VAL 6 HA VAL 6 -2.310 -2.446 0.591 60 HB VAL 6 HB VAL 6 -4.205 -4.633 1.438 61 1HG1 VAL 6 1HG1 VAL 6 -3.288 -5.150 -0.680 62 2HG1 VAL 6 2HG1 VAL 6 -2.359 -6.076 0.499 63 3HG1 VAL 6 3HG1 VAL 6 -1.681 -4.605 -0.199 64 1HG2 VAL 6 1HG2 VAL 6 -3.010 -4.958 3.281 65 2HG2 VAL 6 2HG2 VAL 6 -2.152 -3.454 2.945 66 3HG2 VAL 6 3HG2 VAL 6 -1.509 -4.987 2.356 67 H VAL 7 H VAL 7 -3.008 -1.292 -1.171 68 HA VAL 7 HA VAL 7 -5.688 -1.679 -2.192 69 HB VAL 7 HB VAL 7 -3.394 -0.167 -3.454 70 1HG1 VAL 7 1HG1 VAL 7 -6.364 -0.135 -3.965 71 2HG1 VAL 7 2HG1 VAL 7 -5.096 -0.668 -5.069 72 3HG1 VAL 7 3HG1 VAL 7 -5.225 1.035 -4.632 73 1HG2 VAL 7 1HG2 VAL 7 -5.410 0.618 -1.392 74 2HG2 VAL 7 2HG2 VAL 7 -4.801 1.818 -2.533 75 3HG2 VAL 7 3HG2 VAL 7 -3.683 0.969 -1.464 76 H ASP 8 H ASP 8 -6.246 -3.291 -3.482 77 HA ASP 8 HA ASP 8 -4.490 -4.162 -5.607 78 1HB ASP 8 2HB ASP 8 -3.641 -5.592 -3.887 79 2HB ASP 8 1HB ASP 8 -5.260 -5.995 -3.328 80 H ASP 9 H ASP 9 -5.640 -4.715 -7.357 81 HA ASP 9 HA ASP 9 -8.540 -4.731 -7.130 82 1HB ASP 9 2HB ASP 9 -7.387 -3.346 -8.855 83 2HB ASP 9 1HB ASP 9 -6.822 -4.829 -9.619 84 H GLU 10 H GLU 10 -7.549 -6.987 -5.974 85 HA GLU 10 HA GLU 10 -8.099 -9.091 -7.963 86 1HB GLU 10 2HB GLU 10 -5.885 -8.818 -6.307 87 2HB GLU 10 1HB GLU 10 -6.875 -10.015 -5.483 88 1HG GLU 10 2HG GLU 10 -6.730 -10.558 -8.310 89 2HG GLU 10 1HG GLU 10 -5.121 -10.439 -7.598 90 H GLU 11 H GLU 11 -8.481 -8.289 -4.513 91 HA GLU 11 HA GLU 11 -11.220 -9.092 -4.513 92 1HB GLU 11 2HB GLU 11 -9.529 -11.207 -4.248 93 2HB GLU 11 1HB GLU 11 -9.748 -10.749 -2.565 94 1HG GLU 11 2HG GLU 11 -11.915 -11.386 -2.527 95 2HG GLU 11 1HG GLU 11 -12.190 -10.944 -4.212 96 H SER 12 H SER 12 -11.645 -9.540 -1.844 97 HA SER 12 HA SER 12 -11.604 -6.974 -0.754 98 1HB SER 12 2HB SER 12 -13.188 -8.640 0.024 99 2HB SER 12 1HB SER 12 -11.877 -9.651 0.635 100 HG SER 12 HG SER 12 -12.261 -8.589 2.417 101 H ILE 13 H ILE 13 -9.657 -9.787 0.262 102 HA ILE 13 HA ILE 13 -7.635 -7.896 1.283 103 HB ILE 13 HB ILE 13 -7.926 -10.730 2.236 104 1HG1 ILE 13 2HG1 ILE 13 -10.052 -9.460 2.627 105 2HG1 ILE 13 1HG1 ILE 13 -9.250 -9.981 4.105 106 1HG2 ILE 13 1HG2 ILE 13 -5.835 -9.904 2.829 107 2HG2 ILE 13 2HG2 ILE 13 -6.814 -9.651 4.274 108 3HG2 ILE 13 3HG2 ILE 13 -6.467 -8.299 3.197 109 1HD1 ILE 13 1HD1 ILE 13 -8.410 -7.338 3.281 110 2HD1 ILE 13 2HD1 ILE 13 -9.045 -7.895 4.828 111 3HD1 ILE 13 3HD1 ILE 13 -10.152 -7.445 3.531 112 H THR 14 H THR 14 -5.408 -8.745 1.263 113 HA THR 14 HA THR 14 -4.870 -10.057 -1.279 114 HB THR 14 HB THR 14 -2.515 -9.390 -0.848 115 HG1 THR 14 1HG THR 14 -3.554 -8.104 1.451 116 1HG2 THR 14 1HG2 THR 14 -2.733 -7.126 -1.297 117 2HG2 THR 14 2HG2 THR 14 -4.198 -6.975 -0.327 118 3HG2 THR 14 3HG2 THR 14 -4.252 -7.807 -1.880 119 H SER 15 H SER 15 -3.671 -11.976 -1.477 120 HA SER 15 HA SER 15 -4.117 -13.892 0.530 121 1HB SER 15 2HB SER 15 -2.761 -13.829 -2.106 122 2HB SER 15 1HB SER 15 -2.298 -15.133 -1.012 123 HG SER 15 HG SER 15 -4.025 -15.916 -2.079 124 H SER 16 H SER 16 -2.823 -14.879 1.986 125 HA SER 16 HA SER 16 -1.135 -15.208 3.455 126 1HB SER 16 2HB SER 16 0.436 -14.154 1.123 127 2HB SER 16 1HB SER 16 1.213 -14.616 2.636 128 HG SER 16 HG SER 16 0.109 -16.187 0.664 129 H LEU 17 H LEU 17 -2.404 -12.320 2.938 130 HA LEU 17 HA LEU 17 -0.417 -10.747 4.374 131 1HB LEU 17 2HB LEU 17 -2.404 -10.142 2.499 132 2HB LEU 17 1HB LEU 17 -2.997 -9.462 3.997 133 HG LEU 17 HG LEU 17 -0.874 -8.523 2.226 134 1HD1 LEU 17 1HD1 LEU 17 -2.392 -6.899 2.482 135 2HD1 LEU 17 2HD1 LEU 17 -1.444 -6.500 3.914 136 3HD1 LEU 17 3HD1 LEU 17 -2.905 -7.477 4.066 137 1HD2 LEU 17 1HD2 LEU 17 0.315 -7.484 4.312 138 2HD2 LEU 17 2HD2 LEU 17 0.787 -9.075 3.721 139 3HD2 LEU 17 3HD2 LEU 17 -0.273 -8.934 5.122 140 H SER 18 H SER 18 -3.827 -11.674 4.772 141 HA SER 18 HA SER 18 -4.381 -10.655 7.240 142 1HB SER 18 2HB SER 18 -5.866 -12.064 5.665 143 2HB SER 18 1HB SER 18 -5.234 -13.457 6.543 144 HG SER 18 HG SER 18 -7.272 -12.314 7.294 145 H ALA 19 H ALA 19 -3.143 -13.967 6.722 146 HA ALA 19 HA ALA 19 -2.732 -14.677 9.355 147 1HB ALA 19 1HB ALA 19 -2.423 -16.038 7.177 148 2HB ALA 19 2HB ALA 19 -1.420 -16.426 8.575 149 3HB ALA 19 3HB ALA 19 -0.755 -15.470 7.251 150 H ILE 20 H ILE 20 -0.649 -12.816 7.216 151 HA ILE 20 HA ILE 20 1.570 -12.650 8.975 152 HB ILE 20 HB ILE 20 0.732 -10.964 6.614 153 1HG1 ILE 20 2HG1 ILE 20 2.957 -12.979 6.964 154 2HG1 ILE 20 1HG1 ILE 20 1.418 -13.297 6.169 155 1HG2 ILE 20 1HG2 ILE 20 2.844 -10.498 8.592 156 2HG2 ILE 20 2HG2 ILE 20 2.087 -9.385 7.452 157 3HG2 ILE 20 3HG2 ILE 20 3.385 -10.452 6.914 158 1HD1 ILE 20 1HD1 ILE 20 3.651 -11.517 5.267 159 2HD1 ILE 20 2HD1 ILE 20 2.025 -11.405 4.591 160 3HD1 ILE 20 3HD1 ILE 20 2.940 -12.905 4.444 161 H LEU 21 H LEU 21 -0.551 -9.971 7.953 162 HA LEU 21 HA LEU 21 0.103 -8.154 9.894 163 1HB LEU 21 2HB LEU 21 -2.689 -8.580 8.850 164 2HB LEU 21 1HB LEU 21 -2.004 -7.085 9.465 165 HG LEU 21 HG LEU 21 -0.465 -8.169 7.245 166 1HD1 LEU 21 1HD1 LEU 21 -2.023 -8.580 5.729 167 2HD1 LEU 21 2HD1 LEU 21 -2.798 -7.030 6.042 168 3HD1 LEU 21 3HD1 LEU 21 -3.244 -8.447 6.990 169 1HD2 LEU 21 1HD2 LEU 21 -1.555 -5.593 8.201 170 2HD2 LEU 21 2HD2 LEU 21 -1.217 -5.735 6.476 171 3HD2 LEU 21 3HD2 LEU 21 0.068 -6.010 7.652 172 H GLU 22 H GLU 22 -1.951 -10.962 10.182 173 HA GLU 22 HA GLU 22 -3.122 -10.245 12.684 174 1HB GLU 22 2HB GLU 22 -2.933 -12.821 11.149 175 2HB GLU 22 1HB GLU 22 -3.667 -12.743 12.746 176 1HG GLU 22 2HG GLU 22 -5.371 -11.280 11.985 177 2HG GLU 22 1HG GLU 22 -4.559 -11.038 10.440 178 H GLU 23 H GLU 23 -0.196 -11.862 11.690 179 HA GLU 23 HA GLU 23 0.381 -12.902 14.317 180 1HB GLU 23 2HB GLU 23 1.246 -14.208 12.557 181 2HB GLU 23 1HB GLU 23 1.864 -12.804 11.701 182 1HG GLU 23 2HG GLU 23 3.811 -12.873 12.769 183 2HG GLU 23 1HG GLU 23 3.045 -13.131 14.335 184 H GLU 24 H GLU 24 1.231 -10.128 12.358 185 HA GLU 24 HA GLU 24 3.226 -9.173 14.203 186 1HB GLU 24 2HB GLU 24 1.987 -8.047 11.711 187 2HB GLU 24 1HB GLU 24 3.078 -7.099 12.712 188 1HG GLU 24 2HG GLU 24 3.860 -9.788 11.652 189 2HG GLU 24 1HG GLU 24 4.050 -8.320 10.694 190 H GLY 25 H GLY 25 -0.149 -8.541 13.482 191 1HA GLY 25 2HA GLY 25 -1.693 -7.724 15.069 192 2HA GLY 25 1HA GLY 25 -0.354 -7.048 15.982 193 H TYR 26 H TYR 26 -1.290 -6.697 12.574 194 HA TYR 26 HA TYR 26 -1.208 -3.785 12.950 195 1HB TYR 26 2HB TYR 26 -0.742 -5.562 10.574 196 2HB TYR 26 1HB TYR 26 -1.138 -3.863 10.354 197 HD1 TYR 26 1HD TYR 26 0.374 -2.127 11.407 198 HD2 TYR 26 2HD TYR 26 1.450 -6.232 11.110 199 HE1 TYR 26 1HE TYR 26 2.733 -1.525 11.740 200 HE2 TYR 26 2HE TYR 26 3.814 -5.641 11.443 201 HH TYR 26 HH TYR 26 5.280 -3.675 11.154 202 H HIS 27 H HIS 27 -2.614 -2.841 10.898 203 HA HIS 27 HA HIS 27 -5.292 -4.026 11.082 204 1HB HIS 27 2HB HIS 27 -4.482 -1.598 12.291 205 2HB HIS 27 1HB HIS 27 -5.475 -1.159 10.906 206 HD1 HIS 27 1HD HIS 27 -6.170 -4.280 12.863 207 HD2 HIS 27 2HD HIS 27 -7.645 -0.413 12.490 208 HE1 HIS 27 1HE HIS 27 -8.358 -4.273 14.102 209 HE2 HIS 27 2HE HIS 27 -9.186 -1.899 13.942 210 HA PRO 28 HA PRO 28 -4.341 -3.133 6.693 211 1HB PRO 28 2HB PRO 28 -5.083 -5.495 5.686 212 2HB PRO 28 1HB PRO 28 -3.525 -5.287 6.492 213 1HG PRO 28 2HG PRO 28 -6.045 -6.509 7.528 214 2HG PRO 28 1HG PRO 28 -4.367 -7.022 7.772 215 1HD PRO 28 2HD PRO 28 -5.864 -5.554 9.587 216 2HD PRO 28 1HD PRO 28 -4.093 -5.635 9.560 217 H ASP 29 H ASP 29 -5.789 -2.010 5.545 218 HA ASP 29 HA ASP 29 -8.613 -2.669 5.910 219 1HB ASP 29 2HB ASP 29 -7.340 -0.238 6.140 220 2HB ASP 29 1HB ASP 29 -8.150 -0.145 4.579 221 H THR 30 H THR 30 -6.295 -3.237 3.823 222 HA THR 30 HA THR 30 -6.106 -3.385 1.512 223 HB THR 30 HB THR 30 -7.350 -5.358 0.791 224 HG1 THR 30 1HG THR 30 -9.309 -5.331 1.629 225 1HG2 THR 30 1HG2 THR 30 -6.105 -6.752 1.999 226 2HG2 THR 30 2HG2 THR 30 -6.809 -6.211 3.522 227 3HG2 THR 30 3HG2 THR 30 -5.493 -5.298 2.787 228 H ALA 31 H ALA 31 -6.600 -2.260 -0.204 229 HA ALA 31 HA ALA 31 -9.368 -1.345 -0.582 230 1HB ALA 31 1HB ALA 31 -7.285 0.250 -0.411 231 2HB ALA 31 2HB ALA 31 -8.587 0.579 -1.555 232 3HB ALA 31 3HB ALA 31 -7.094 -0.176 -2.113 233 H LYS 32 H LYS 32 -9.988 -1.071 -2.948 234 HA LYS 32 HA LYS 32 -9.451 -3.572 -4.304 235 1HB LYS 32 2HB LYS 32 -11.751 -2.949 -4.148 236 2HB LYS 32 1HB LYS 32 -11.420 -1.333 -4.756 237 1HG LYS 32 2HG LYS 32 -10.954 -2.177 -6.930 238 2HG LYS 32 1HG LYS 32 -11.053 -3.841 -6.359 239 1HD LYS 32 2HD LYS 32 -13.398 -3.633 -5.944 240 2HD LYS 32 1HD LYS 32 -13.350 -1.894 -6.240 241 1HE LYS 32 2HE LYS 32 -12.981 -2.198 -8.550 242 2HE LYS 32 1HE LYS 32 -12.593 -3.905 -8.341 243 1HZ LYS 32 1HZ LYS 32 -14.901 -3.249 -9.225 244 2HZ LYS 32 2HZ LYS 32 -15.261 -2.889 -7.612 245 3HZ LYS 32 3HZ LYS 32 -14.800 -4.459 -8.047 246 H THR 33 H THR 33 -9.196 -0.096 -4.967 247 HA THR 33 HA THR 33 -6.922 -0.539 -6.672 248 HB THR 33 HB THR 33 -9.014 1.010 -8.080 249 HG1 THR 33 1HG THR 33 -9.110 -1.819 -8.037 250 1HG2 THR 33 1HG2 THR 33 -6.617 -0.451 -8.735 251 2HG2 THR 33 2HG2 THR 33 -7.488 0.772 -9.662 252 3HG2 THR 33 3HG2 THR 33 -7.971 -0.922 -9.762 253 H LEU 34 H LEU 34 -6.827 1.907 -7.958 254 HA LEU 34 HA LEU 34 -6.033 3.609 -5.837 255 1HB LEU 34 2HB LEU 34 -6.470 4.335 -8.735 256 2HB LEU 34 1HB LEU 34 -5.523 5.239 -7.567 257 HG LEU 34 HG LEU 34 -4.855 2.454 -8.524 258 1HD1 LEU 34 1HD1 LEU 34 -2.860 3.990 -9.445 259 2HD1 LEU 34 2HD1 LEU 34 -4.196 5.135 -9.562 260 3HD1 LEU 34 3HD1 LEU 34 -4.290 3.583 -10.394 261 1HD2 LEU 34 1HD2 LEU 34 -4.092 3.640 -6.199 262 2HD2 LEU 34 2HD2 LEU 34 -2.799 4.140 -7.290 263 3HD2 LEU 34 3HD2 LEU 34 -3.151 2.426 -7.067 264 H ARG 35 H ARG 35 -8.775 3.695 -8.092 265 HA ARG 35 HA ARG 35 -9.917 6.075 -7.099 266 1HB ARG 35 2HB ARG 35 -11.081 3.711 -8.569 267 2HB ARG 35 1HB ARG 35 -12.059 5.097 -8.104 268 1HG ARG 35 2HG ARG 35 -9.586 5.294 -9.805 269 2HG ARG 35 1HG ARG 35 -11.221 5.140 -10.451 270 1HD ARG 35 2HD ARG 35 -11.828 7.193 -9.145 271 2HD ARG 35 1HD ARG 35 -10.115 7.380 -8.768 272 HE ARG 35 HE ARG 35 -9.757 8.139 -10.901 273 1HH1 ARG 35 1HH1 ARG 35 -12.913 6.659 -10.734 274 2HH1 ARG 35 2HH1 ARG 35 -13.385 7.193 -12.313 275 1HH2 ARG 35 1HH2 ARG 35 -10.375 8.842 -12.976 276 2HH2 ARG 35 2HH2 ARG 35 -11.944 8.432 -13.586 277 H GLU 36 H GLU 36 -10.456 2.664 -6.317 278 HA GLU 36 HA GLU 36 -12.441 3.156 -4.341 279 1HB GLU 36 2HB GLU 36 -11.632 0.937 -5.655 280 2HB GLU 36 1HB GLU 36 -10.793 0.703 -4.128 281 1HG GLU 36 2HG GLU 36 -12.719 -0.333 -3.592 282 2HG GLU 36 1HG GLU 36 -13.205 1.311 -3.178 283 H ALA 37 H ALA 37 -8.942 2.961 -4.327 284 HA ALA 37 HA ALA 37 -8.668 2.797 -1.488 285 1HB ALA 37 1HB ALA 37 -6.282 3.587 -2.052 286 2HB ALA 37 2HB ALA 37 -6.781 3.416 -3.735 287 3HB ALA 37 3HB ALA 37 -6.809 2.017 -2.662 288 H GLU 38 H GLU 38 -9.056 5.382 -3.787 289 HA GLU 38 HA GLU 38 -8.178 7.481 -2.070 290 1HB GLU 38 2HB GLU 38 -9.963 7.514 -4.508 291 2HB GLU 38 1HB GLU 38 -9.383 8.958 -3.690 292 1HG GLU 38 2HG GLU 38 -7.331 8.800 -4.585 293 2HG GLU 38 1HG GLU 38 -7.300 7.042 -4.469 294 H LYS 39 H LYS 39 -11.301 6.027 -2.849 295 HA LYS 39 HA LYS 39 -12.887 7.791 -1.321 296 1HB LYS 39 2HB LYS 39 -13.910 6.365 -2.982 297 2HB LYS 39 1HB LYS 39 -13.335 4.922 -2.162 298 1HG LYS 39 2HG LYS 39 -15.140 6.810 -0.722 299 2HG LYS 39 1HG LYS 39 -15.808 5.680 -1.902 300 1HD LYS 39 2HD LYS 39 -14.323 3.956 -0.550 301 2HD LYS 39 1HD LYS 39 -14.529 5.151 0.732 302 1HE LYS 39 2HE LYS 39 -16.915 4.973 0.601 303 2HE LYS 39 1HE LYS 39 -16.808 3.955 -0.835 304 1HZ LYS 39 1HZ LYS 39 -15.411 2.990 1.524 305 2HZ LYS 39 2HZ LYS 39 -16.320 2.140 0.380 306 3HZ LYS 39 3HZ LYS 39 -17.101 2.990 1.617 307 H LYS 40 H LYS 40 -11.093 4.875 -0.545 308 HA LYS 40 HA LYS 40 -12.162 4.612 2.100 309 1HB LYS 40 2HB LYS 40 -9.726 3.397 0.796 310 2HB LYS 40 1HB LYS 40 -10.305 2.974 2.401 311 1HG LYS 40 2HG LYS 40 -12.539 2.673 0.812 312 2HG LYS 40 1HG LYS 40 -11.221 2.086 -0.202 313 1HD LYS 40 2HD LYS 40 -11.889 0.186 0.970 314 2HD LYS 40 1HD LYS 40 -10.492 0.762 1.884 315 1HE LYS 40 2HE LYS 40 -11.884 0.519 3.642 316 2HE LYS 40 1HE LYS 40 -12.457 2.107 3.135 317 1HZ LYS 40 1HZ LYS 40 -14.371 1.251 2.287 318 2HZ LYS 40 2HZ LYS 40 -14.106 0.127 3.522 319 3HZ LYS 40 3HZ LYS 40 -13.692 -0.257 1.928 320 H ILE 41 H ILE 41 -9.189 5.943 0.704 321 HA ILE 41 HA ILE 41 -8.056 6.625 3.244 322 HB ILE 41 HB ILE 41 -7.326 7.617 0.485 323 1HG1 ILE 41 2HG1 ILE 41 -5.772 5.591 2.055 324 2HG1 ILE 41 1HG1 ILE 41 -7.183 5.078 1.137 325 1HG2 ILE 41 1HG2 ILE 41 -5.774 7.743 3.066 326 2HG2 ILE 41 2HG2 ILE 41 -6.528 9.109 2.244 327 3HG2 ILE 41 3HG2 ILE 41 -5.189 8.249 1.481 328 1HD1 ILE 41 1HD1 ILE 41 -6.183 5.942 -0.903 329 2HD1 ILE 41 2HD1 ILE 41 -5.122 4.770 -0.121 330 3HD1 ILE 41 3HD1 ILE 41 -4.781 6.496 0.011 331 H LYS 42 H LYS 42 -10.174 8.190 0.974 332 HA LYS 42 HA LYS 42 -9.848 10.861 1.574 333 1HB LYS 42 2HB LYS 42 -12.053 9.198 0.569 334 2HB LYS 42 1HB LYS 42 -12.531 10.738 1.268 335 1HG LYS 42 2HG LYS 42 -11.040 11.907 -0.260 336 2HG LYS 42 1HG LYS 42 -10.529 10.366 -0.950 337 1HD LYS 42 2HD LYS 42 -12.158 10.745 -2.451 338 2HD LYS 42 1HD LYS 42 -13.236 10.184 -1.171 339 1HE LYS 42 2HE LYS 42 -13.657 12.448 -0.465 340 2HE LYS 42 1HE LYS 42 -12.462 13.066 -1.605 341 1HZ LYS 42 1HZ LYS 42 -14.676 11.469 -2.662 342 2HZ LYS 42 2HZ LYS 42 -13.848 12.766 -3.366 343 3HZ LYS 42 3HZ LYS 42 -15.008 13.053 -2.170 344 H GLU 43 H GLU 43 -11.221 8.357 3.535 345 HA GLU 43 HA GLU 43 -11.916 10.365 5.566 346 1HB GLU 43 2HB GLU 43 -13.200 7.667 5.132 347 2HB GLU 43 1HB GLU 43 -13.612 8.803 6.409 348 1HG GLU 43 2HG GLU 43 -14.967 9.945 5.078 349 2HG GLU 43 1HG GLU 43 -13.750 10.046 3.806 350 H LEU 44 H LEU 44 -11.052 6.923 5.222 351 HA LEU 44 HA LEU 44 -10.124 6.640 7.876 352 1HB LEU 44 2HB LEU 44 -10.468 4.988 5.599 353 2HB LEU 44 1HB LEU 44 -8.807 4.796 6.127 354 HG LEU 44 HG LEU 44 -10.227 3.104 7.139 355 1HD1 LEU 44 1HD1 LEU 44 -8.333 3.854 8.433 356 2HD1 LEU 44 2HD1 LEU 44 -9.690 3.526 9.508 357 3HD1 LEU 44 3HD1 LEU 44 -9.274 5.190 9.096 358 1HD2 LEU 44 1HD2 LEU 44 -12.169 3.504 8.268 359 2HD2 LEU 44 2HD2 LEU 44 -12.224 4.838 7.115 360 3HD2 LEU 44 3HD2 LEU 44 -11.677 5.123 8.768 361 H PHE 45 H PHE 45 -8.188 7.003 8.795 362 HA PHE 45 HA PHE 45 -6.147 8.306 7.158 363 1HB PHE 45 2HB PHE 45 -6.937 9.404 9.249 364 2HB PHE 45 1HB PHE 45 -6.302 8.044 10.169 365 HD1 PHE 45 1HD PHE 45 -5.515 11.113 8.419 366 HD2 PHE 45 2HD PHE 45 -3.869 7.659 10.282 367 HE1 PHE 45 1HE PHE 45 -3.323 12.223 8.533 368 HE2 PHE 45 2HE PHE 45 -1.673 8.763 10.401 369 HZ PHE 45 HZ PHE 45 -1.398 11.049 9.524 370 H PHE 46 H PHE 46 -4.899 6.805 6.188 371 HA PHE 46 HA PHE 46 -3.890 4.562 7.787 372 1HB PHE 46 2HB PHE 46 -3.891 5.027 4.802 373 2HB PHE 46 1HB PHE 46 -3.178 3.624 5.589 374 HD1 PHE 46 1HD PHE 46 -5.843 4.547 3.737 375 HD2 PHE 46 2HD PHE 46 -5.008 2.640 7.447 376 HE1 PHE 46 1HE PHE 46 -8.012 3.392 3.625 377 HE2 PHE 46 2HE PHE 46 -7.177 1.481 7.343 378 HZ PHE 46 HZ PHE 46 -8.682 1.858 5.431 379 HA PRO 47 HA PRO 47 -0.012 6.825 7.956 380 1HB PRO 47 2HB PRO 47 1.365 5.029 9.428 381 2HB PRO 47 1HB PRO 47 0.136 6.083 10.139 382 1HG PRO 47 2HG PRO 47 -0.074 3.218 9.307 383 2HG PRO 47 1HG PRO 47 -0.702 4.009 10.765 384 1HD PRO 47 2HD PRO 47 -2.242 3.447 8.586 385 2HD PRO 47 1HD PRO 47 -2.563 4.807 9.679 386 H VAL 48 H VAL 48 -0.564 3.656 6.695 387 HA VAL 48 HA VAL 48 1.723 3.956 4.914 388 HB VAL 48 HB VAL 48 1.149 1.344 6.296 389 1HG1 VAL 48 1HG1 VAL 48 3.247 2.350 4.420 390 2HG1 VAL 48 2HG1 VAL 48 2.327 0.847 4.369 391 3HG1 VAL 48 3HG1 VAL 48 3.621 1.049 5.549 392 1HG2 VAL 48 1HG2 VAL 48 1.793 2.753 8.036 393 2HG2 VAL 48 2HG2 VAL 48 2.995 3.574 7.040 394 3HG2 VAL 48 3HG2 VAL 48 3.269 1.911 7.560 395 H ILE 49 H ILE 49 1.012 3.732 2.920 396 HA ILE 49 HA ILE 49 -1.360 2.096 2.371 397 HB ILE 49 HB ILE 49 -0.160 4.116 0.488 398 1HG1 ILE 49 2HG1 ILE 49 -0.780 5.143 2.725 399 2HG1 ILE 49 1HG1 ILE 49 -1.594 5.823 1.322 400 1HG2 ILE 49 1HG2 ILE 49 -2.552 2.413 0.550 401 2HG2 ILE 49 2HG2 ILE 49 -1.644 3.053 -0.820 402 3HG2 ILE 49 3HG2 ILE 49 -2.822 4.070 0.011 403 1HD1 ILE 49 1HD1 ILE 49 -2.727 3.928 3.358 404 2HD1 ILE 49 2HD1 ILE 49 -3.543 4.356 1.855 405 3HD1 ILE 49 3HD1 ILE 49 -3.194 5.601 3.053 406 H VAL 50 H VAL 50 -1.322 0.720 0.472 407 HA VAL 50 HA VAL 50 1.343 0.165 -0.609 408 HB VAL 50 HB VAL 50 -0.531 -2.059 0.198 409 1HG1 VAL 50 1HG1 VAL 50 1.899 -3.156 0.199 410 2HG1 VAL 50 2HG1 VAL 50 2.178 -1.873 -0.978 411 3HG1 VAL 50 3HG1 VAL 50 0.901 -3.058 -1.251 412 1HG2 VAL 50 1HG2 VAL 50 0.629 -2.372 2.221 413 2HG2 VAL 50 2HG2 VAL 50 0.293 -0.642 2.150 414 3HG2 VAL 50 3HG2 VAL 50 1.904 -1.243 1.759 415 H LEU 51 H LEU 51 0.994 -1.526 -2.548 416 HA LEU 51 HA LEU 51 -1.552 -1.305 -3.840 417 1HB LEU 51 2HB LEU 51 -0.749 0.887 -4.382 418 2HB LEU 51 1HB LEU 51 0.801 0.250 -4.895 419 HG LEU 51 HG LEU 51 -0.464 -0.982 -6.729 420 1HD1 LEU 51 1HD1 LEU 51 -2.631 0.009 -7.360 421 2HD1 LEU 51 2HD1 LEU 51 -2.628 0.924 -5.852 422 3HD1 LEU 51 3HD1 LEU 51 -2.693 -0.838 -5.815 423 1HD2 LEU 51 1HD2 LEU 51 -0.058 1.964 -6.550 424 2HD2 LEU 51 2HD2 LEU 51 -0.839 1.291 -7.980 425 3HD2 LEU 51 3HD2 LEU 51 0.785 0.766 -7.533 426 H ASP 52 H ASP 52 -1.826 -3.203 -4.705 427 HA ASP 52 HA ASP 52 0.479 -4.692 -5.759 428 1HB ASP 52 2HB ASP 52 -1.117 -5.624 -3.911 429 2HB ASP 52 1HB ASP 52 -2.222 -5.906 -5.252 430 H VAL 53 H VAL 53 0.558 -3.720 -7.787 431 HA VAL 53 HA VAL 53 -1.598 -3.241 -9.485 432 HB VAL 53 HB VAL 53 0.040 -3.172 -11.315 433 1HG1 VAL 53 1HG1 VAL 53 -0.177 -1.212 -9.953 434 2HG1 VAL 53 2HG1 VAL 53 1.531 -1.444 -10.325 435 3HG1 VAL 53 3HG1 VAL 53 0.907 -1.881 -8.734 436 1HG2 VAL 53 1HG2 VAL 53 1.939 -4.330 -11.286 437 2HG2 VAL 53 2HG2 VAL 53 1.444 -5.024 -9.744 438 3HG2 VAL 53 3HG2 VAL 53 2.436 -3.568 -9.776 439 H TRP 54 H TRP 54 -2.960 -5.115 -9.278 440 HA TRP 54 HA TRP 54 -2.026 -7.637 -10.332 441 1HB TRP 54 2HB TRP 54 -3.624 -7.714 -8.525 442 2HB TRP 54 1HB TRP 54 -4.756 -6.706 -9.417 443 HD1 TRP 54 HD TRP 54 -6.712 -8.109 -10.274 444 HE1 TRP 54 1HE TRP 54 -7.022 -10.492 -11.192 445 HE3 TRP 54 3HE TRP 54 -1.889 -9.742 -9.916 446 HZ2 TRP 54 2HZ TRP 54 -5.428 -12.769 -11.696 447 HZ3 TRP 54 3HZ TRP 54 -1.361 -12.037 -10.636 448 HH2 TRP 54 HH TRP 54 -3.096 -13.518 -11.508 449 H MET 55 H MET 55 -5.076 -6.087 -11.222 450 HA MET 55 HA MET 55 -4.230 -5.827 -13.986 451 1HB MET 55 2HB MET 55 -5.937 -7.992 -13.013 452 2HB MET 55 1HB MET 55 -6.669 -7.078 -14.322 453 1HG MET 55 2HG MET 55 -4.726 -7.483 -15.720 454 2HG MET 55 1HG MET 55 -3.949 -8.360 -14.404 455 1HE MET 55 1HE MET 55 -5.132 -9.053 -17.645 456 2HE MET 55 2HE MET 55 -5.256 -10.799 -17.434 457 3HE MET 55 3HE MET 55 -3.829 -9.940 -16.853 458 HA PRO 56 HA PRO 56 -7.601 -2.868 -12.461 459 1HB PRO 56 2HB PRO 56 -6.199 -0.767 -11.579 460 2HB PRO 56 1HB PRO 56 -6.513 -2.161 -10.538 461 1HG PRO 56 2HG PRO 56 -4.041 -1.460 -12.069 462 2HG PRO 56 1HG PRO 56 -4.193 -2.081 -10.416 463 1HD PRO 56 2HD PRO 56 -3.589 -3.637 -12.600 464 2HD PRO 56 1HD PRO 56 -4.356 -4.246 -11.121 465 H ASP 57 H ASP 57 -7.424 -0.235 -13.016 466 HA ASP 57 HA ASP 57 -6.206 0.016 -15.668 467 1HB ASP 57 2HB ASP 57 -8.578 -0.678 -15.953 468 2HB ASP 57 1HB ASP 57 -9.072 0.771 -15.080 469 H GLY 58 H GLY 58 -5.055 1.133 -13.518 470 1HA GLY 58 2HA GLY 58 -5.345 3.962 -14.090 471 2HA GLY 58 1HA GLY 58 -5.740 3.497 -12.443 472 H ASP 59 H ASP 59 -3.505 5.102 -13.766 473 HA ASP 59 HA ASP 59 -1.113 3.618 -13.200 474 1HB ASP 59 2HB ASP 59 -1.769 6.353 -14.157 475 2HB ASP 59 1HB ASP 59 -0.210 6.139 -13.368 476 H GLY 60 H GLY 60 0.291 3.853 -11.475 477 1HA GLY 60 2HA GLY 60 -0.945 4.905 -9.045 478 2HA GLY 60 1HA GLY 60 0.448 3.839 -9.122 479 H VAL 61 H VAL 61 1.442 5.836 -11.314 480 HA VAL 61 HA VAL 61 3.313 7.175 -9.789 481 HB VAL 61 HB VAL 61 2.211 8.138 -12.431 482 1HG1 VAL 61 1HG1 VAL 61 4.785 8.590 -10.958 483 2HG1 VAL 61 2HG1 VAL 61 3.629 9.786 -11.543 484 3HG1 VAL 61 3HG1 VAL 61 4.620 8.884 -12.688 485 1HG2 VAL 61 1HG2 VAL 61 4.259 6.014 -11.826 486 2HG2 VAL 61 2HG2 VAL 61 4.087 6.781 -13.405 487 3HG2 VAL 61 3HG2 VAL 61 2.757 5.840 -12.732 488 H ASN 62 H ASN 62 0.295 8.497 -11.169 489 HA ASN 62 HA ASN 62 0.571 11.005 -9.882 490 1HB ASN 62 2HB ASN 62 -1.722 11.324 -10.756 491 2HB ASN 62 1HB ASN 62 -0.589 10.802 -11.984 492 1HD2 ASN 62 1HD2 ASN 62 -0.852 8.842 -12.948 493 2HD2 ASN 62 2HD2 ASN 62 -2.235 7.836 -12.699 494 H PHE 63 H PHE 63 -0.283 7.992 -8.687 495 HA PHE 63 HA PHE 63 -2.328 8.918 -6.860 496 1HB PHE 63 2HB PHE 63 -2.397 6.631 -7.830 497 2HB PHE 63 1HB PHE 63 -0.924 6.241 -6.946 498 HD1 PHE 63 1HD PHE 63 -4.045 8.036 -5.987 499 HD2 PHE 63 2HD PHE 63 -1.418 4.772 -5.250 500 HE1 PHE 63 1HE PHE 63 -5.391 7.403 -4.029 501 HE2 PHE 63 2HE PHE 63 -2.759 4.130 -3.289 502 HZ PHE 63 HZ PHE 63 -4.750 5.448 -2.677 503 H ILE 64 H ILE 64 1.097 8.081 -6.744 504 HA ILE 64 HA ILE 64 1.537 7.908 -4.036 505 HB ILE 64 HB ILE 64 3.306 9.203 -6.115 506 1HG1 ILE 64 2HG1 ILE 64 4.382 6.765 -5.295 507 2HG1 ILE 64 1HG1 ILE 64 2.652 6.456 -5.410 508 1HG2 ILE 64 1HG2 ILE 64 5.153 8.824 -4.529 509 2HG2 ILE 64 2HG2 ILE 64 3.981 8.323 -3.310 510 3HG2 ILE 64 3HG2 ILE 64 3.969 9.979 -3.917 511 1HD1 ILE 64 1HD1 ILE 64 4.570 7.269 -7.546 512 2HD1 ILE 64 2HD1 ILE 64 2.843 7.574 -7.722 513 3HD1 ILE 64 3HD1 ILE 64 3.428 5.924 -7.515 514 H ASP 65 H ASP 65 0.901 10.774 -5.945 515 HA ASP 65 HA ASP 65 1.579 12.597 -3.817 516 1HB ASP 65 2HB ASP 65 1.579 13.007 -6.410 517 2HB ASP 65 1HB ASP 65 -0.127 13.367 -6.164 518 H PHE 66 H PHE 66 -1.228 10.848 -4.857 519 HA PHE 66 HA PHE 66 -3.184 12.476 -3.595 520 1HB PHE 66 2HB PHE 66 -3.836 10.864 -5.302 521 2HB PHE 66 1HB PHE 66 -3.233 9.534 -4.318 522 HD1 PHE 66 1HD PHE 66 -4.433 8.846 -2.295 523 HD2 PHE 66 2HD PHE 66 -5.960 11.866 -4.875 524 HE1 PHE 66 1HE PHE 66 -6.647 8.616 -1.246 525 HE2 PHE 66 2HE PHE 66 -8.176 11.643 -3.831 526 HZ PHE 66 HZ PHE 66 -8.522 10.017 -2.014 527 H ILE 67 H ILE 67 -1.302 9.659 -2.588 528 HA ILE 67 HA ILE 67 -2.501 9.256 -0.084 529 HB ILE 67 HB ILE 67 0.301 8.669 -1.052 530 1HG1 ILE 67 2HG1 ILE 67 -0.720 6.278 -0.774 531 2HG1 ILE 67 1HG1 ILE 67 -2.262 7.126 -0.829 532 1HG2 ILE 67 1HG2 ILE 67 0.797 8.590 1.157 533 2HG2 ILE 67 2HG2 ILE 67 0.034 7.005 1.035 534 3HG2 ILE 67 3HG2 ILE 67 -0.886 8.383 1.641 535 1HD1 ILE 67 1HD1 ILE 67 -0.338 7.785 -2.961 536 2HD1 ILE 67 2HD1 ILE 67 -2.087 7.570 -3.029 537 3HD1 ILE 67 3HD1 ILE 67 -1.026 6.161 -2.991 538 H LYS 68 H LYS 68 0.218 11.294 -1.089 539 HA LYS 68 HA LYS 68 0.669 12.291 1.564 540 1HB LYS 68 2HB LYS 68 2.266 13.827 0.488 541 2HB LYS 68 1HB LYS 68 2.538 12.150 0.034 542 1HG LYS 68 2HG LYS 68 2.740 13.170 -1.976 543 2HG LYS 68 1HG LYS 68 1.024 12.771 -1.983 544 1HD LYS 68 2HD LYS 68 0.636 14.929 -2.407 545 2HD LYS 68 1HD LYS 68 1.130 15.247 -0.743 546 1HE LYS 68 2HE LYS 68 3.337 14.954 -2.661 547 2HE LYS 68 1HE LYS 68 2.291 16.347 -2.939 548 1HZ LYS 68 1HZ LYS 68 2.728 17.154 -0.770 549 2HZ LYS 68 2HZ LYS 68 4.228 16.755 -1.443 550 3HZ LYS 68 3HZ LYS 68 3.508 15.727 -0.307 551 H GLU 69 H GLU 69 -1.396 13.075 -1.056 552 HA GLU 69 HA GLU 69 -1.797 15.829 -0.514 553 1HB GLU 69 2HB GLU 69 -2.390 14.676 -2.654 554 2HB GLU 69 1HB GLU 69 -3.729 13.910 -1.813 555 1HG GLU 69 2HG GLU 69 -4.559 16.222 -1.268 556 2HG GLU 69 1HG GLU 69 -3.342 16.831 -2.389 557 H ASN 70 H ASN 70 -3.263 12.877 0.686 558 HA ASN 70 HA ASN 70 -4.795 14.493 2.613 559 1HB ASN 70 2HB ASN 70 -5.800 11.807 1.755 560 2HB ASN 70 1HB ASN 70 -6.696 13.182 2.392 561 1HD2 ASN 70 1HD2 ASN 70 -4.760 12.213 -0.406 562 2HD2 ASN 70 2HD2 ASN 70 -5.703 13.065 -1.574 563 H SER 71 H SER 71 -2.148 12.853 2.527 564 HA SER 71 HA SER 71 -2.316 11.958 5.230 565 1HB SER 71 2HB SER 71 -2.737 10.022 3.094 566 2HB SER 71 1HB SER 71 -1.359 9.595 4.108 567 HG SER 71 HG SER 71 -3.994 10.166 5.000 568 HA PRO 72 HA PRO 72 1.837 13.294 3.536 569 1HB PRO 72 2HB PRO 72 1.787 15.129 5.823 570 2HB PRO 72 1HB PRO 72 2.070 15.480 4.117 571 1HG PRO 72 2HG PRO 72 -0.195 16.217 5.378 572 2HG PRO 72 1HG PRO 72 -0.169 15.760 3.666 573 1HD PRO 72 2HD PRO 72 -1.041 14.165 6.042 574 2HD PRO 72 1HD PRO 72 -1.769 14.270 4.426 575 H ASP 73 H ASP 73 0.548 12.351 6.560 576 HA ASP 73 HA ASP 73 3.185 11.697 7.638 577 1HB ASP 73 2HB ASP 73 1.298 12.876 8.966 578 2HB ASP 73 1HB ASP 73 0.607 11.262 9.100 579 H SER 74 H SER 74 1.845 10.230 5.409 580 HA SER 74 HA SER 74 1.642 7.586 6.681 581 1HB SER 74 2HB SER 74 -0.415 8.298 5.518 582 2HB SER 74 1HB SER 74 0.502 8.475 4.023 583 HG SER 74 HG SER 74 -0.648 6.297 4.959 584 H VAL 75 H VAL 75 1.954 5.997 4.411 585 HA VAL 75 HA VAL 75 4.464 6.778 3.165 586 HB VAL 75 HB VAL 75 4.295 4.187 4.701 587 1HG1 VAL 75 1HG1 VAL 75 6.199 5.398 2.753 588 2HG1 VAL 75 2HG1 VAL 75 5.708 3.717 2.954 589 3HG1 VAL 75 3HG1 VAL 75 6.865 4.437 4.074 590 1HG2 VAL 75 1HG2 VAL 75 4.571 5.807 6.355 591 2HG2 VAL 75 2HG2 VAL 75 5.573 6.829 5.325 592 3HG2 VAL 75 3HG2 VAL 75 6.224 5.324 5.975 593 H VAL 76 H VAL 76 4.623 6.097 1.165 594 HA VAL 76 HA VAL 76 2.616 4.193 0.190 595 HB VAL 76 HB VAL 76 4.368 6.037 -1.434 596 1HG1 VAL 76 1HG1 VAL 76 3.706 4.583 -3.031 597 2HG1 VAL 76 2HG1 VAL 76 2.225 5.537 -2.974 598 3HG1 VAL 76 3HG1 VAL 76 2.326 4.013 -2.091 599 1HG2 VAL 76 1HG2 VAL 76 1.813 6.467 -0.026 600 2HG2 VAL 76 2HG2 VAL 76 1.896 7.066 -1.682 601 3HG2 VAL 76 3HG2 VAL 76 3.066 7.620 -0.484 602 H ILE 77 H ILE 77 3.236 2.163 0.010 603 HA ILE 77 HA ILE 77 6.047 1.519 -0.448 604 HB ILE 77 HB ILE 77 3.725 -0.315 0.184 605 1HG1 ILE 77 2HG1 ILE 77 4.273 1.258 2.010 606 2HG1 ILE 77 1HG1 ILE 77 4.653 -0.407 2.437 607 1HG2 ILE 77 1HG2 ILE 77 5.303 -1.660 -0.885 608 2HG2 ILE 77 2HG2 ILE 77 5.684 -1.853 0.826 609 3HG2 ILE 77 3HG2 ILE 77 6.664 -0.787 -0.181 610 1HD1 ILE 77 1HD1 ILE 77 7.032 0.284 1.526 611 2HD1 ILE 77 2HD1 ILE 77 6.533 0.621 3.182 612 3HD1 ILE 77 3HD1 ILE 77 6.458 1.893 1.962 613 H VAL 78 H VAL 78 2.923 0.316 -1.711 614 HA VAL 78 HA VAL 78 2.295 -0.426 -3.773 615 HB VAL 78 HB VAL 78 4.514 1.412 -4.710 616 1HG1 VAL 78 1HG1 VAL 78 2.193 0.231 -6.240 617 2HG1 VAL 78 2HG1 VAL 78 3.891 -0.200 -6.433 618 3HG1 VAL 78 3HG1 VAL 78 3.340 1.420 -6.859 619 1HG2 VAL 78 1HG2 VAL 78 1.680 2.181 -4.975 620 2HG2 VAL 78 2HG2 VAL 78 3.091 3.158 -4.569 621 3HG2 VAL 78 3HG2 VAL 78 2.324 2.159 -3.333 622 H ILE 79 H ILE 79 2.668 -2.501 -4.142 623 HA ILE 79 HA ILE 79 5.397 -3.340 -4.881 624 HB ILE 79 HB ILE 79 3.491 -5.321 -3.725 625 1HG1 ILE 79 2HG1 ILE 79 5.184 -3.515 -1.994 626 2HG1 ILE 79 1HG1 ILE 79 3.447 -3.323 -2.206 627 1HG2 ILE 79 1HG2 ILE 79 5.306 -6.581 -3.918 628 2HG2 ILE 79 2HG2 ILE 79 6.100 -5.577 -2.704 629 3HG2 ILE 79 3HG2 ILE 79 6.263 -5.186 -4.415 630 1HD1 ILE 79 1HD1 ILE 79 3.469 -4.520 -0.283 631 2HD1 ILE 79 2HD1 ILE 79 4.961 -5.368 -0.694 632 3HD1 ILE 79 3HD1 ILE 79 3.439 -5.847 -1.444 633 H THR 80 H THR 80 5.169 -5.667 -6.000 634 HA THR 80 HA THR 80 4.401 -6.920 -7.747 635 HB THR 80 HB THR 80 1.892 -5.273 -7.880 636 HG1 THR 80 1HG THR 80 2.591 -7.191 -5.924 637 1HG2 THR 80 1HG2 THR 80 1.152 -6.901 -9.170 638 2HG2 THR 80 2HG2 THR 80 1.469 -8.081 -7.899 639 3HG2 THR 80 3HG2 THR 80 2.727 -7.687 -9.070 640 H GLY 81 H GLY 81 4.196 -6.777 -10.057 641 1HA GLY 81 2HA GLY 81 4.100 -4.203 -11.338 642 2HA GLY 81 1HA GLY 81 5.718 -4.889 -11.299 643 H HIS 82 H HIS 82 3.709 -4.335 -13.499 644 HA HIS 82 HA HIS 82 3.803 -7.022 -14.705 645 1HB HIS 82 2HB HIS 82 1.480 -6.100 -14.068 646 2HB HIS 82 1HB HIS 82 1.703 -4.982 -15.409 647 HD1 HIS 82 1HD HIS 82 1.154 -8.609 -14.653 648 HD2 HIS 82 2HD HIS 82 1.458 -6.102 -17.952 649 HE1 HIS 82 1HE HIS 82 0.386 -9.983 -16.614 650 HE2 HIS 82 2HE HIS 82 0.663 -8.472 -18.612 651 H GLY 83 H GLY 83 5.852 -5.072 -14.892 652 1HA GLY 83 2HA GLY 83 6.033 -4.889 -17.766 653 2HA GLY 83 1HA GLY 83 5.906 -3.328 -16.970 654 H SER 84 H SER 84 7.619 -6.289 -16.012 655 HA SER 84 HA SER 84 9.807 -6.705 -15.558 656 1HB SER 84 2HB SER 84 9.908 -4.723 -17.732 657 2HB SER 84 1HB SER 84 11.367 -4.793 -16.743 658 HG SER 84 HG SER 84 11.005 -6.315 -18.670 659 H VAL 85 H VAL 85 10.079 -3.175 -15.833 660 HA VAL 85 HA VAL 85 9.831 -2.565 -13.116 661 HB VAL 85 HB VAL 85 11.822 -3.925 -12.787 662 1HG1 VAL 85 1HG1 VAL 85 12.616 -3.317 -15.221 663 2HG1 VAL 85 2HG1 VAL 85 13.775 -3.751 -13.965 664 3HG1 VAL 85 3HG1 VAL 85 13.510 -2.056 -14.372 665 1HG2 VAL 85 1HG2 VAL 85 12.640 -1.037 -12.557 666 2HG2 VAL 85 2HG2 VAL 85 13.102 -2.388 -11.521 667 3HG2 VAL 85 3HG2 VAL 85 11.445 -1.786 -11.497 668 H ASP 86 H ASP 86 8.744 -0.842 -14.168 669 HA ASP 86 HA ASP 86 10.552 1.328 -14.944 670 1HB ASP 86 2HB ASP 86 9.729 0.324 -17.039 671 2HB ASP 86 1HB ASP 86 8.069 0.567 -16.502 672 H THR 87 H THR 87 7.038 0.664 -14.541 673 HA THR 87 HA THR 87 6.255 3.175 -13.748 674 HB THR 87 HB THR 87 4.836 1.051 -14.121 675 HG1 THR 87 1HG THR 87 3.191 1.916 -12.778 676 1HG2 THR 87 1HG2 THR 87 5.783 -0.371 -12.392 677 2HG2 THR 87 2HG2 THR 87 4.069 -0.078 -12.100 678 3HG2 THR 87 3HG2 THR 87 5.283 0.783 -11.155 679 H ALA 88 H ALA 88 7.984 0.751 -11.965 680 HA ALA 88 HA ALA 88 7.668 1.698 -9.353 681 1HB ALA 88 1HB ALA 88 9.905 0.215 -10.712 682 2HB ALA 88 2HB ALA 88 8.661 -0.431 -9.647 683 3HB ALA 88 3HB ALA 88 9.932 0.602 -8.994 684 H VAL 89 H VAL 89 10.377 2.233 -11.583 685 HA VAL 89 HA VAL 89 11.645 4.208 -10.057 686 HB VAL 89 HB VAL 89 12.915 4.733 -12.081 687 1HG1 VAL 89 1HG1 VAL 89 12.975 2.416 -10.723 688 2HG1 VAL 89 2HG1 VAL 89 14.086 2.802 -12.037 689 3HG1 VAL 89 3HG1 VAL 89 12.664 1.807 -12.349 690 1HG2 VAL 89 1HG2 VAL 89 12.313 4.186 -14.210 691 2HG2 VAL 89 2HG2 VAL 89 10.704 4.350 -13.506 692 3HG2 VAL 89 3HG2 VAL 89 11.420 2.751 -13.706 693 H LYS 90 H LYS 90 8.883 4.355 -12.117 694 HA LYS 90 HA LYS 90 9.049 7.221 -12.515 695 1HB LYS 90 2HB LYS 90 8.171 5.814 -14.309 696 2HB LYS 90 1HB LYS 90 6.895 5.235 -13.248 697 1HG LYS 90 2HG LYS 90 5.917 7.436 -13.149 698 2HG LYS 90 1HG LYS 90 7.247 8.102 -14.097 699 1HD LYS 90 2HD LYS 90 5.571 5.861 -15.170 700 2HD LYS 90 1HD LYS 90 5.021 7.534 -15.288 701 1HE LYS 90 2HE LYS 90 7.577 7.755 -16.176 702 2HE LYS 90 1HE LYS 90 7.162 6.135 -16.736 703 1HZ LYS 90 1HZ LYS 90 6.351 7.295 -18.472 704 2HZ LYS 90 2HZ LYS 90 6.122 8.716 -17.581 705 3HZ LYS 90 3HZ LYS 90 4.992 7.461 -17.478 706 H ALA 91 H ALA 91 7.837 5.121 -10.129 707 HA ALA 91 HA ALA 91 6.025 7.222 -9.137 708 1HB ALA 91 1HB ALA 91 5.233 5.093 -7.723 709 2HB ALA 91 2HB ALA 91 5.827 4.275 -9.168 710 3HB ALA 91 3HB ALA 91 4.568 5.502 -9.304 711 H ILE 92 H ILE 92 8.672 5.072 -8.313 712 HA ILE 92 HA ILE 92 8.645 5.699 -5.527 713 HB ILE 92 HB ILE 92 10.595 4.409 -5.301 714 1HG1 ILE 92 2HG1 ILE 92 11.023 4.675 -8.285 715 2HG1 ILE 92 1HG1 ILE 92 11.965 5.483 -7.035 716 1HG2 ILE 92 1HG2 ILE 92 10.016 2.553 -7.234 717 2HG2 ILE 92 2HG2 ILE 92 8.507 3.455 -7.098 718 3HG2 ILE 92 3HG2 ILE 92 9.211 2.696 -5.672 719 1HD1 ILE 92 1HD1 ILE 92 13.279 3.673 -7.679 720 2HD1 ILE 92 2HD1 ILE 92 11.899 2.577 -7.748 721 3HD1 ILE 92 3HD1 ILE 92 12.507 3.134 -6.189 722 H LYS 93 H LYS 93 9.929 7.240 -8.322 723 HA LYS 93 HA LYS 93 11.790 8.852 -6.755 724 1HB LYS 93 2HB LYS 93 11.215 8.783 -9.720 725 2HB LYS 93 1HB LYS 93 12.406 9.830 -8.962 726 1HG LYS 93 2HG LYS 93 13.044 7.297 -8.036 727 2HG LYS 93 1HG LYS 93 12.602 7.049 -9.727 728 1HD LYS 93 2HD LYS 93 14.695 7.679 -10.203 729 2HD LYS 93 1HD LYS 93 14.160 9.316 -9.821 730 1HE LYS 93 2HE LYS 93 14.716 8.492 -7.352 731 2HE LYS 93 1HE LYS 93 15.814 7.431 -8.235 732 1HZ LYS 93 1HZ LYS 93 17.179 9.191 -8.063 733 2HZ LYS 93 2HZ LYS 93 15.923 10.304 -7.850 734 3HZ LYS 93 3HZ LYS 93 16.324 9.767 -9.405 735 H LYS 94 H LYS 94 8.684 8.965 -6.802 736 HA LYS 94 HA LYS 94 8.501 11.873 -7.223 737 1HB LYS 94 2HB LYS 94 6.581 9.676 -7.831 738 2HB LYS 94 1HB LYS 94 5.959 11.267 -7.416 739 1HG LYS 94 2HG LYS 94 8.011 11.611 -9.340 740 2HG LYS 94 1HG LYS 94 6.933 10.337 -9.910 741 1HD LYS 94 2HD LYS 94 5.009 11.841 -9.519 742 2HD LYS 94 1HD LYS 94 6.134 13.118 -9.049 743 1HE LYS 94 2HE LYS 94 5.610 13.540 -11.305 744 2HE LYS 94 1HE LYS 94 7.213 12.805 -11.324 745 1HZ LYS 94 1HZ LYS 94 6.164 11.625 -12.955 746 2HZ LYS 94 2HZ LYS 94 4.646 11.694 -12.211 747 3HZ LYS 94 3HZ LYS 94 5.828 10.633 -11.628 748 H GLY 95 H GLY 95 8.069 9.251 -5.025 749 1HA GLY 95 2HA GLY 95 7.973 10.741 -2.731 750 2HA GLY 95 1HA GLY 95 6.295 10.619 -3.233 751 H ALA 96 H ALA 96 6.899 7.890 -4.403 752 HA ALA 96 HA ALA 96 5.972 6.337 -2.307 753 1HB ALA 96 1HB ALA 96 5.819 4.760 -3.867 754 2HB ALA 96 2HB ALA 96 7.560 4.772 -4.152 755 3HB ALA 96 3HB ALA 96 6.521 5.926 -4.988 756 H TYR 97 H TYR 97 7.220 4.237 -1.641 757 HA TYR 97 HA TYR 97 9.760 5.123 -0.449 758 1HB TYR 97 2HB TYR 97 7.990 4.618 1.155 759 2HB TYR 97 1HB TYR 97 7.807 3.009 0.472 760 HD1 TYR 97 1HD TYR 97 10.561 5.145 1.844 761 HD2 TYR 97 2HD TYR 97 8.765 1.292 1.664 762 HE1 TYR 97 1HE TYR 97 12.245 4.290 3.421 763 HE2 TYR 97 2HE TYR 97 10.443 0.428 3.239 764 HH TYR 97 HH TYR 97 12.657 0.946 4.039 765 H GLU 98 H GLU 98 9.365 3.951 -3.112 766 HA GLU 98 HA GLU 98 10.740 2.697 -4.461 767 1HB GLU 98 2HB GLU 98 12.610 1.695 -3.674 768 2HB GLU 98 1HB GLU 98 12.220 2.602 -2.223 769 1HG GLU 98 2HG GLU 98 10.856 0.394 -1.664 770 2HG GLU 98 1HG GLU 98 12.048 -0.310 -2.754 771 H PHE 99 H PHE 99 10.252 0.938 -5.656 772 HA PHE 99 HA PHE 99 7.888 -0.505 -4.991 773 1HB PHE 99 2HB PHE 99 9.573 -0.122 -7.307 774 2HB PHE 99 1HB PHE 99 9.135 -1.815 -7.137 775 HD1 PHE 99 1HD PHE 99 7.373 -2.402 -8.470 776 HD2 PHE 99 2HD PHE 99 7.366 1.437 -6.634 777 HE1 PHE 99 1HE PHE 99 5.183 -1.926 -9.485 778 HE2 PHE 99 2HE PHE 99 5.175 1.920 -7.646 779 HZ PHE 99 HZ PHE 99 4.082 0.237 -9.072 780 H LEU 100 H LEU 100 8.199 -1.754 -3.184 781 HA LEU 100 HA LEU 100 10.398 -3.309 -2.546 782 1HB LEU 100 2HB LEU 100 8.686 -2.840 -0.947 783 2HB LEU 100 1HB LEU 100 7.472 -3.639 -1.925 784 HG LEU 100 HG LEU 100 8.449 -5.801 -1.463 785 1HD1 LEU 100 1HD1 LEU 100 10.595 -6.019 -0.949 786 2HD1 LEU 100 2HD1 LEU 100 10.305 -5.210 0.591 787 3HD1 LEU 100 3HD1 LEU 100 10.762 -4.268 -0.828 788 1HD2 LEU 100 1HD2 LEU 100 8.451 -5.318 1.238 789 2HD2 LEU 100 2HD2 LEU 100 7.029 -5.630 0.243 790 3HD2 LEU 100 3HD2 LEU 100 7.514 -3.970 0.595 791 H GLU 101 H GLU 101 10.925 -5.479 -2.842 792 HA GLU 101 HA GLU 101 9.977 -6.616 -5.330 793 1HB GLU 101 2HB GLU 101 12.358 -6.806 -3.714 794 2HB GLU 101 1HB GLU 101 11.760 -8.412 -4.101 795 1HG GLU 101 2HG GLU 101 11.587 -7.391 -6.523 796 2HG GLU 101 1HG GLU 101 12.814 -6.293 -5.891 797 H LYS 102 H LYS 102 9.483 -8.963 -5.455 798 HA LYS 102 HA LYS 102 8.550 -10.339 -3.135 799 1HB LYS 102 2HB LYS 102 6.757 -8.566 -3.648 800 2HB LYS 102 1HB LYS 102 6.382 -9.538 -5.065 801 1HG LYS 102 2HG LYS 102 6.501 -11.004 -2.517 802 2HG LYS 102 1HG LYS 102 5.190 -9.833 -2.672 803 1HD LYS 102 2HD LYS 102 4.900 -10.984 -5.027 804 2HD LYS 102 1HD LYS 102 5.710 -12.326 -4.217 805 1HE LYS 102 2HE LYS 102 4.003 -12.531 -2.617 806 2HE LYS 102 1HE LYS 102 3.334 -10.947 -3.007 807 1HZ LYS 102 1HZ LYS 102 1.880 -12.219 -4.147 808 2HZ LYS 102 2HZ LYS 102 2.961 -13.504 -4.350 809 3HZ LYS 102 3HZ LYS 102 3.068 -12.142 -5.348 810 HA PRO 103 HA PRO 103 9.297 -12.764 -7.098 811 1HB PRO 103 2HB PRO 103 11.759 -13.717 -6.637 812 2HB PRO 103 1HB PRO 103 11.504 -12.107 -7.322 813 1HG PRO 103 2HG PRO 103 12.132 -12.887 -4.501 814 2HG PRO 103 1HG PRO 103 12.800 -11.561 -5.469 815 1HD PRO 103 2HD PRO 103 10.805 -11.243 -3.616 816 2HD PRO 103 1HD PRO 103 11.029 -10.180 -5.019 817 H PHE 104 H PHE 104 8.930 -13.294 -3.844 818 HA PHE 104 HA PHE 104 8.722 -16.193 -4.271 819 1HB PHE 104 2HB PHE 104 10.600 -14.988 -2.607 820 2HB PHE 104 1HB PHE 104 9.329 -15.516 -1.508 821 HD1 PHE 104 1HD PHE 104 11.290 -16.799 -4.411 822 HD2 PHE 104 2HD PHE 104 9.448 -17.650 -0.671 823 HE1 PHE 104 1HE PHE 104 12.175 -19.093 -4.502 824 HE2 PHE 104 2HE PHE 104 10.329 -19.945 -0.754 825 HZ PHE 104 HZ PHE 104 11.694 -20.669 -2.671 826 H SER 105 H SER 105 7.973 -13.881 -1.650 827 HA SER 105 HA SER 105 5.145 -14.252 -2.003 828 1HB SER 105 2HB SER 105 5.670 -16.312 -0.798 829 2HB SER 105 1HB SER 105 6.483 -15.386 0.464 830 HG SER 105 HG SER 105 4.611 -15.132 1.356 831 H VAL 106 H VAL 106 4.040 -13.329 0.158 832 HA VAL 106 HA VAL 106 4.855 -10.590 0.276 833 HB VAL 106 HB VAL 106 2.500 -11.175 0.327 834 1HG1 VAL 106 1HG1 VAL 106 1.806 -12.083 2.758 835 2HG1 VAL 106 2HG1 VAL 106 3.365 -12.884 2.564 836 3HG1 VAL 106 3HG1 VAL 106 2.095 -13.129 1.368 837 1HG2 VAL 106 1HG2 VAL 106 3.404 -9.946 2.930 838 2HG2 VAL 106 2HG2 VAL 106 1.786 -9.822 2.241 839 3HG2 VAL 106 3HG2 VAL 106 3.157 -9.096 1.406 840 H GLU 107 H GLU 107 5.671 -13.376 2.103 841 HA GLU 107 HA GLU 107 6.017 -12.530 4.665 842 1HB GLU 107 2HB GLU 107 6.562 -14.791 3.756 843 2HB GLU 107 1HB GLU 107 8.053 -14.123 3.104 844 1HG GLU 107 2HG GLU 107 8.555 -13.402 5.495 845 2HG GLU 107 1HG GLU 107 7.262 -14.508 5.958 846 H ARG 108 H ARG 108 7.960 -11.704 1.855 847 HA ARG 108 HA ARG 108 10.033 -10.384 3.307 848 1HB ARG 108 2HB ARG 108 9.833 -11.253 0.763 849 2HB ARG 108 1HB ARG 108 9.456 -9.554 0.518 850 1HG ARG 108 2HG ARG 108 11.681 -9.501 2.157 851 2HG ARG 108 1HG ARG 108 11.999 -10.837 1.047 852 1HD ARG 108 2HD ARG 108 11.089 -9.014 -0.697 853 2HD ARG 108 1HD ARG 108 11.769 -7.935 0.521 854 HE ARG 108 HE ARG 108 13.211 -9.527 -1.338 855 1HH1 ARG 108 1HH1 ARG 108 13.330 -8.286 1.922 856 2HH1 ARG 108 2HH1 ARG 108 15.060 -8.305 1.999 857 1HH2 ARG 108 1HH2 ARG 108 15.486 -9.554 -1.237 858 2HH2 ARG 108 2HH2 ARG 108 16.284 -9.026 0.206 859 H PHE 109 H PHE 109 6.987 -9.434 1.857 860 HA PHE 109 HA PHE 109 7.251 -6.657 1.968 861 1HB PHE 109 2HB PHE 109 5.409 -7.551 0.755 862 2HB PHE 109 1HB PHE 109 4.852 -8.479 2.140 863 HD1 PHE 109 1HD PHE 109 5.557 -4.903 1.318 864 HD2 PHE 109 2HD PHE 109 2.954 -7.719 3.161 865 HE1 PHE 109 1HE PHE 109 4.019 -3.081 1.916 866 HE2 PHE 109 2HE PHE 109 1.408 -5.902 3.762 867 HZ PHE 109 HZ PHE 109 1.940 -3.579 3.141 868 H LEU 110 H LEU 110 6.559 -9.017 4.430 869 HA LEU 110 HA LEU 110 5.431 -7.534 6.448 870 1HB LEU 110 2HB LEU 110 6.466 -10.039 6.213 871 2HB LEU 110 1HB LEU 110 7.577 -9.302 7.347 872 HG LEU 110 HG LEU 110 4.636 -9.081 7.828 873 1HD1 LEU 110 1HD1 LEU 110 4.658 -11.167 9.066 874 2HD1 LEU 110 2HD1 LEU 110 6.331 -11.457 8.586 875 3HD1 LEU 110 3HD1 LEU 110 5.052 -11.456 7.371 876 1HD2 LEU 110 1HD2 LEU 110 7.149 -8.705 9.308 877 2HD2 LEU 110 2HD2 LEU 110 5.851 -9.488 10.207 878 3HD2 LEU 110 3HD2 LEU 110 5.591 -7.899 9.488 879 H LEU 111 H LEU 111 8.847 -7.788 5.597 880 HA LEU 111 HA LEU 111 9.906 -6.314 7.720 881 1HB LEU 111 2HB LEU 111 10.930 -6.530 4.889 882 2HB LEU 111 1HB LEU 111 11.858 -5.962 6.264 883 HG LEU 111 HG LEU 111 11.018 -8.419 7.139 884 1HD1 LEU 111 1HD1 LEU 111 11.296 -8.485 4.162 885 2HD1 LEU 111 2HD1 LEU 111 10.100 -9.271 5.192 886 3HD1 LEU 111 3HD1 LEU 111 11.754 -9.881 5.137 887 1HD2 LEU 111 1HD2 LEU 111 13.321 -7.241 7.051 888 2HD2 LEU 111 2HD2 LEU 111 13.542 -8.149 5.555 889 3HD2 LEU 111 3HD2 LEU 111 13.258 -9.003 7.073 890 H THR 112 H THR 112 9.305 -5.166 4.392 891 HA THR 112 HA THR 112 9.867 -2.521 4.653 892 HB THR 112 HB THR 112 7.544 -3.724 3.137 893 HG1 THR 112 1HG THR 112 10.240 -3.201 2.456 894 1HG2 THR 112 1HG2 THR 112 8.945 -1.155 2.479 895 2HG2 THR 112 2HG2 THR 112 7.447 -1.217 3.409 896 3HG2 THR 112 3HG2 THR 112 7.483 -1.826 1.754 897 H ILE 113 H ILE 113 6.914 -4.128 5.707 898 HA ILE 113 HA ILE 113 5.375 -1.893 6.356 899 HB ILE 113 HB ILE 113 5.468 -4.626 7.636 900 1HG1 ILE 113 2HG1 ILE 113 4.748 -4.504 5.269 901 2HG1 ILE 113 1HG1 ILE 113 3.454 -5.037 6.337 902 1HG2 ILE 113 1HG2 ILE 113 3.925 -2.228 8.380 903 2HG2 ILE 113 2HG2 ILE 113 4.408 -3.619 9.351 904 3HG2 ILE 113 3HG2 ILE 113 3.015 -3.736 8.276 905 1HD1 ILE 113 1HD1 ILE 113 3.086 -2.329 6.270 906 2HD1 ILE 113 2HD1 ILE 113 2.215 -3.514 5.296 907 3HD1 ILE 113 3HD1 ILE 113 3.625 -2.690 4.630 908 H LYS 114 H LYS 114 7.025 -3.898 8.793 909 HA LYS 114 HA LYS 114 6.963 -2.044 10.857 910 1HB LYS 114 2HB LYS 114 7.485 -4.321 11.335 911 2HB LYS 114 1HB LYS 114 8.875 -4.301 10.267 912 1HG LYS 114 2HG LYS 114 8.809 -2.471 12.624 913 2HG LYS 114 1HG LYS 114 9.174 -4.179 12.858 914 1HD LYS 114 2HD LYS 114 10.716 -2.129 11.290 915 2HD LYS 114 1HD LYS 114 11.265 -3.133 12.626 916 1HE LYS 114 2HE LYS 114 10.722 -3.940 9.782 917 2HE LYS 114 1HE LYS 114 12.234 -4.047 10.681 918 1HZ LYS 114 1HZ LYS 114 11.642 -6.150 11.051 919 2HZ LYS 114 2HZ LYS 114 10.041 -5.894 10.571 920 3HZ LYS 114 3HZ LYS 114 10.515 -5.543 12.157 921 H HIS 115 H HIS 115 8.925 -2.109 8.046 922 HA HIS 115 HA HIS 115 10.971 -0.359 9.122 923 1HB HIS 115 2HB HIS 115 10.527 -1.772 6.547 924 2HB HIS 115 1HB HIS 115 11.534 -0.328 6.532 925 HD1 HIS 115 1HD HIS 115 13.397 -0.498 8.713 926 HD2 HIS 115 2HD HIS 115 12.062 -3.962 6.846 927 HE1 HIS 115 1HE HIS 115 15.120 -2.253 9.238 928 HE2 HIS 115 2HE HIS 115 14.249 -4.360 8.167 929 H ALA 116 H ALA 116 7.985 -0.134 7.402 930 HA ALA 116 HA ALA 116 8.435 2.533 6.405 931 1HB ALA 116 1HB ALA 116 5.705 1.361 6.616 932 2HB ALA 116 2HB ALA 116 6.860 0.632 5.501 933 3HB ALA 116 3HB ALA 116 6.422 2.331 5.328 934 H PHE 117 H PHE 117 6.993 1.054 9.220 935 HA PHE 117 HA PHE 117 5.669 3.440 10.117 936 1HB PHE 117 2HB PHE 117 6.176 0.730 11.309 937 2HB PHE 117 1HB PHE 117 5.540 2.038 12.301 938 HD1 PHE 117 1HD PHE 117 3.375 3.132 11.598 939 HD2 PHE 117 2HD PHE 117 4.778 -0.513 9.908 940 HE1 PHE 117 1HE PHE 117 1.101 2.628 10.808 941 HE2 PHE 117 2HE PHE 117 2.508 -1.023 9.117 942 HZ PHE 117 HZ PHE 117 0.664 0.550 9.565 943 H GLU 118 H GLU 118 8.857 2.173 10.351 944 HA GLU 118 HA GLU 118 9.486 3.975 12.583 945 1HB GLU 118 2HB GLU 118 11.102 1.705 11.418 946 2HB GLU 118 1HB GLU 118 11.579 2.696 12.790 947 1HG GLU 118 2HG GLU 118 9.020 1.718 13.387 948 2HG GLU 118 1HG GLU 118 9.927 0.361 12.722 949 H GLU 119 H GLU 119 9.933 3.554 9.196 950 HA GLU 119 HA GLU 119 12.188 5.408 9.130 951 1HB GLU 119 2HB GLU 119 10.846 3.798 6.962 952 2HB GLU 119 1HB GLU 119 12.161 4.927 6.670 953 1HG GLU 119 2HG GLU 119 12.693 2.942 8.758 954 2HG GLU 119 1HG GLU 119 12.466 2.278 7.141 955 H TYR 120 H TYR 120 9.624 6.394 9.988 956 HA TYR 120 HA TYR 120 9.448 8.671 8.263 957 1HB TYR 120 2HB TYR 120 7.891 6.641 7.414 958 2HB TYR 120 1HB TYR 120 6.794 7.392 8.568 959 HD1 TYR 120 1HD TYR 120 5.331 8.944 7.698 960 HD2 TYR 120 2HD TYR 120 9.142 8.485 5.866 961 HE1 TYR 120 1HE TYR 120 4.721 10.634 6.019 962 HE2 TYR 120 2HE TYR 120 8.543 10.175 4.183 963 HH TYR 120 HH TYR 120 6.351 11.078 3.179 964 H SER 121 H SER 121 10.087 8.219 10.994 965 HA SER 121 HA SER 121 8.387 10.174 12.201 966 1HB SER 121 2HB SER 121 7.225 7.827 12.434 967 2HB SER 121 1HB SER 121 8.413 7.588 13.714 968 HG SER 121 HG SER 121 7.294 8.868 14.938 Start of MODEL 18 1 1H MET 1 1HT MET 1 -3.282 3.075 15.730 2 2H MET 1 2HT MET 1 -3.221 2.499 17.344 3 3H MET 1 3HT MET 1 -3.001 1.412 16.034 4 HA MET 1 HA MET 1 -1.230 3.700 16.508 5 1HB MET 1 2HB MET 1 -1.555 1.899 18.415 6 2HB MET 1 1HB MET 1 -0.548 0.915 17.362 7 1HG MET 1 2HG MET 1 0.939 1.911 18.854 8 2HG MET 1 1HG MET 1 1.091 2.854 17.372 9 1HE MET 1 1HE MET 1 -0.934 2.364 20.397 10 2HE MET 1 2HE MET 1 -1.920 3.827 20.408 11 3HE MET 1 3HE MET 1 -0.467 3.735 21.404 12 H LYS 2 H LYS 2 -1.448 0.302 15.431 13 HA LYS 2 HA LYS 2 0.280 1.021 13.153 14 1HB LYS 2 2HB LYS 2 0.012 -1.719 14.393 15 2HB LYS 2 1HB LYS 2 1.168 -1.214 13.169 16 1HG LYS 2 2HG LYS 2 1.182 0.220 15.767 17 2HG LYS 2 1HG LYS 2 1.827 -1.422 15.715 18 1HD LYS 2 2HD LYS 2 2.729 0.335 13.537 19 2HD LYS 2 1HD LYS 2 3.258 0.818 15.151 20 1HE LYS 2 2HE LYS 2 3.948 -1.642 15.433 21 2HE LYS 2 1HE LYS 2 3.796 -1.741 13.679 22 1HZ LYS 2 1HZ LYS 2 6.054 -1.254 14.246 23 2HZ LYS 2 2HZ LYS 2 5.595 0.062 15.206 24 3HZ LYS 2 3HZ LYS 2 5.385 0.124 13.529 25 H ARG 3 H ARG 3 -0.871 1.155 11.349 26 HA ARG 3 HA ARG 3 -2.716 -1.006 10.677 27 1HB ARG 3 2HB ARG 3 -3.584 1.836 10.225 28 2HB ARG 3 1HB ARG 3 -4.557 0.372 10.195 29 1HG ARG 3 2HG ARG 3 -5.211 1.215 12.198 30 2HG ARG 3 1HG ARG 3 -3.825 0.263 12.733 31 1HD ARG 3 2HD ARG 3 -2.793 2.085 13.474 32 2HD ARG 3 1HD ARG 3 -2.963 2.872 11.906 33 HE ARG 3 HE ARG 3 -4.591 3.282 14.243 34 1HH1 ARG 3 1HH1 ARG 3 -4.447 3.545 10.765 35 2HH1 ARG 3 2HH1 ARG 3 -5.666 4.772 10.683 36 1HH2 ARG 3 1HH2 ARG 3 -6.194 4.897 14.135 37 2HH2 ARG 3 2HH2 ARG 3 -6.656 5.540 12.596 38 H VAL 4 H VAL 4 -2.522 -1.616 8.602 39 HA VAL 4 HA VAL 4 -1.139 0.229 6.763 40 HB VAL 4 HB VAL 4 -0.929 -2.784 6.721 41 1HG1 VAL 4 1HG1 VAL 4 0.860 -0.825 5.322 42 2HG1 VAL 4 2HG1 VAL 4 -0.637 -1.391 4.583 43 3HG1 VAL 4 3HG1 VAL 4 0.631 -2.543 5.001 44 1HG2 VAL 4 1HG2 VAL 4 1.040 -0.738 7.753 45 2HG2 VAL 4 2HG2 VAL 4 1.359 -2.462 7.570 46 3HG2 VAL 4 3HG2 VAL 4 0.148 -1.907 8.726 47 H LEU 5 H LEU 5 -1.874 0.350 4.649 48 HA LEU 5 HA LEU 5 -4.505 -0.884 4.190 49 1HB LEU 5 2HB LEU 5 -4.352 1.615 4.217 50 2HB LEU 5 1HB LEU 5 -3.322 1.517 2.801 51 HG LEU 5 HG LEU 5 -5.192 0.412 1.575 52 1HD1 LEU 5 1HD1 LEU 5 -6.730 -0.518 2.921 53 2HD1 LEU 5 2HD1 LEU 5 -7.456 1.087 2.888 54 3HD1 LEU 5 3HD1 LEU 5 -6.421 0.617 4.235 55 1HD2 LEU 5 1HD2 LEU 5 -6.680 2.555 1.651 56 2HD2 LEU 5 2HD2 LEU 5 -5.031 2.643 1.033 57 3HD2 LEU 5 3HD2 LEU 5 -5.388 3.179 2.675 58 H VAL 6 H VAL 6 -4.903 -2.107 2.429 59 HA VAL 6 HA VAL 6 -2.628 -2.603 0.611 60 HB VAL 6 HB VAL 6 -4.826 -4.589 1.131 61 1HG1 VAL 6 1HG1 VAL 6 -3.677 -5.275 -0.744 62 2HG1 VAL 6 2HG1 VAL 6 -2.794 -6.110 0.534 63 3HG1 VAL 6 3HG1 VAL 6 -2.138 -4.631 -0.168 64 1HG2 VAL 6 1HG2 VAL 6 -3.472 -5.664 2.802 65 2HG2 VAL 6 2HG2 VAL 6 -3.745 -3.990 3.281 66 3HG2 VAL 6 3HG2 VAL 6 -2.193 -4.468 2.594 67 H VAL 7 H VAL 7 -2.929 -2.077 -1.455 68 HA VAL 7 HA VAL 7 -5.695 -1.845 -2.453 69 HB VAL 7 HB VAL 7 -3.261 -0.371 -3.481 70 1HG1 VAL 7 1HG1 VAL 7 -6.107 -0.516 -4.325 71 2HG1 VAL 7 2HG1 VAL 7 -4.642 -0.388 -5.298 72 3HG1 VAL 7 3HG1 VAL 7 -5.270 1.030 -4.460 73 1HG2 VAL 7 1HG2 VAL 7 -5.549 0.877 -1.997 74 2HG2 VAL 7 2HG2 VAL 7 -3.946 1.535 -2.322 75 3HG2 VAL 7 3HG2 VAL 7 -4.144 0.235 -1.146 76 H ASP 8 H ASP 8 -6.176 -3.581 -3.653 77 HA ASP 8 HA ASP 8 -4.510 -4.261 -5.905 78 1HB ASP 8 2HB ASP 8 -3.452 -5.536 -4.061 79 2HB ASP 8 1HB ASP 8 -4.991 -6.330 -3.750 80 H ASP 9 H ASP 9 -5.525 -5.886 -7.302 81 HA ASP 9 HA ASP 9 -8.415 -5.595 -7.234 82 1HB ASP 9 2HB ASP 9 -7.033 -5.206 -9.317 83 2HB ASP 9 1HB ASP 9 -6.758 -6.945 -9.368 84 H GLU 10 H GLU 10 -7.723 -7.161 -5.174 85 HA GLU 10 HA GLU 10 -8.234 -9.919 -6.065 86 1HB GLU 10 2HB GLU 10 -6.743 -8.754 -3.766 87 2HB GLU 10 1HB GLU 10 -7.566 -10.286 -3.509 88 1HG GLU 10 2HG GLU 10 -6.034 -10.251 -5.972 89 2HG GLU 10 1HG GLU 10 -5.042 -9.935 -4.550 90 H GLU 11 H GLU 11 -9.307 -11.123 -3.972 91 HA GLU 11 HA GLU 11 -11.661 -9.523 -3.217 92 1HB GLU 11 2HB GLU 11 -11.998 -11.270 -5.091 93 2HB GLU 11 1HB GLU 11 -11.840 -12.465 -3.811 94 1HG GLU 11 2HG GLU 11 -13.675 -10.802 -2.724 95 2HG GLU 11 1HG GLU 11 -14.054 -10.646 -4.439 96 H SER 12 H SER 12 -12.283 -9.646 -1.136 97 HA SER 12 HA SER 12 -12.205 -10.101 1.090 98 1HB SER 12 2HB SER 12 -13.176 -12.233 0.444 99 2HB SER 12 1HB SER 12 -11.580 -12.879 0.064 100 HG SER 12 HG SER 12 -12.248 -11.919 2.639 101 H ILE 13 H ILE 13 -10.225 -8.704 0.987 102 HA ILE 13 HA ILE 13 -8.137 -8.178 1.672 103 HB ILE 13 HB ILE 13 -8.286 -10.852 2.988 104 1HG1 ILE 13 2HG1 ILE 13 -10.187 -9.355 3.546 105 2HG1 ILE 13 1HG1 ILE 13 -9.184 -9.758 4.937 106 1HG2 ILE 13 1HG2 ILE 13 -6.044 -10.203 3.123 107 2HG2 ILE 13 2HG2 ILE 13 -6.736 -9.725 4.672 108 3HG2 ILE 13 3HG2 ILE 13 -6.468 -8.516 3.417 109 1HD1 ILE 13 1HD1 ILE 13 -8.015 -7.566 4.593 110 2HD1 ILE 13 2HD1 ILE 13 -9.703 -7.460 5.090 111 3HD1 ILE 13 3HD1 ILE 13 -9.261 -7.176 3.407 112 H THR 14 H THR 14 -5.835 -8.889 1.591 113 HA THR 14 HA THR 14 -5.372 -10.383 -0.861 114 HB THR 14 HB THR 14 -3.049 -9.520 -0.660 115 HG1 THR 14 1HG THR 14 -4.021 -8.072 1.570 116 1HG2 THR 14 1HG2 THR 14 -3.491 -7.444 -1.450 117 2HG2 THR 14 2HG2 THR 14 -4.692 -7.101 -0.206 118 3HG2 THR 14 3HG2 THR 14 -5.108 -8.135 -1.572 119 H SER 15 H SER 15 -5.051 -12.497 -0.721 120 HA SER 15 HA SER 15 -4.782 -14.060 1.468 121 1HB SER 15 2HB SER 15 -3.553 -14.492 -1.259 122 2HB SER 15 1HB SER 15 -3.656 -15.743 -0.020 123 HG SER 15 HG SER 15 -5.809 -14.377 -1.268 124 H SER 16 H SER 16 -3.258 -14.719 2.860 125 HA SER 16 HA SER 16 -1.179 -15.112 3.763 126 1HB SER 16 2HB SER 16 0.152 -13.278 1.792 127 2HB SER 16 1HB SER 16 0.824 -14.666 2.649 128 HG SER 16 HG SER 16 -0.469 -14.565 0.261 129 H LEU 17 H LEU 17 -2.057 -11.833 2.766 130 HA LEU 17 HA LEU 17 -0.455 -10.499 4.667 131 1HB LEU 17 2HB LEU 17 -2.372 -9.806 2.674 132 2HB LEU 17 1HB LEU 17 -2.835 -9.003 4.156 133 HG LEU 17 HG LEU 17 -0.806 -8.286 2.256 134 1HD1 LEU 17 1HD1 LEU 17 -1.415 -6.258 2.909 135 2HD1 LEU 17 2HD1 LEU 17 -1.051 -6.598 4.600 136 3HD1 LEU 17 3HD1 LEU 17 -2.615 -7.057 3.926 137 1HD2 LEU 17 1HD2 LEU 17 1.011 -7.716 3.804 138 2HD2 LEU 17 2HD2 LEU 17 0.786 -9.458 3.658 139 3HD2 LEU 17 3HD2 LEU 17 0.191 -8.610 5.083 140 H SER 18 H SER 18 -3.900 -11.378 4.717 141 HA SER 18 HA SER 18 -4.660 -10.359 7.139 142 1HB SER 18 2HB SER 18 -5.887 -11.912 5.325 143 2HB SER 18 1HB SER 18 -5.598 -13.121 6.576 144 HG SER 18 HG SER 18 -6.561 -11.457 8.030 145 H ALA 19 H ALA 19 -3.604 -13.749 6.741 146 HA ALA 19 HA ALA 19 -3.408 -14.414 9.408 147 1HB ALA 19 1HB ALA 19 -3.237 -16.091 7.699 148 2HB ALA 19 2HB ALA 19 -1.779 -16.147 8.689 149 3HB ALA 19 3HB ALA 19 -1.736 -15.387 7.098 150 H ILE 20 H ILE 20 -0.980 -12.864 7.359 151 HA ILE 20 HA ILE 20 1.118 -12.889 9.251 152 HB ILE 20 HB ILE 20 0.604 -11.137 6.850 153 1HG1 ILE 20 2HG1 ILE 20 2.677 -13.285 7.257 154 2HG1 ILE 20 1HG1 ILE 20 1.086 -13.603 6.576 155 1HG2 ILE 20 1HG2 ILE 20 2.821 -11.058 8.840 156 2HG2 ILE 20 2HG2 ILE 20 2.002 -9.733 8.012 157 3HG2 ILE 20 3HG2 ILE 20 3.170 -10.728 7.143 158 1HD1 ILE 20 1HD1 ILE 20 3.252 -13.050 5.107 159 2HD1 ILE 20 2HD1 ILE 20 2.608 -11.423 5.326 160 3HD1 ILE 20 3HD1 ILE 20 1.607 -12.676 4.595 161 H LEU 21 H LEU 21 -0.628 -9.988 8.119 162 HA LEU 21 HA LEU 21 0.113 -8.254 10.099 163 1HB LEU 21 2HB LEU 21 -2.631 -8.402 8.864 164 2HB LEU 21 1HB LEU 21 -1.891 -6.988 9.595 165 HG LEU 21 HG LEU 21 -0.251 -8.113 7.472 166 1HD1 LEU 21 1HD1 LEU 21 -1.687 -8.354 5.813 167 2HD1 LEU 21 2HD1 LEU 21 -2.384 -6.764 6.121 168 3HD1 LEU 21 3HD1 LEU 21 -3.006 -8.180 6.969 169 1HD2 LEU 21 1HD2 LEU 21 -0.515 -5.729 8.736 170 2HD2 LEU 21 2HD2 LEU 21 -1.372 -5.416 7.225 171 3HD2 LEU 21 3HD2 LEU 21 0.305 -5.962 7.192 172 H GLU 22 H GLU 22 -2.261 -10.810 10.275 173 HA GLU 22 HA GLU 22 -3.473 -9.972 12.712 174 1HB GLU 22 2HB GLU 22 -3.424 -12.590 11.235 175 2HB GLU 22 1HB GLU 22 -4.258 -12.396 12.771 176 1HG GLU 22 2HG GLU 22 -5.818 -10.911 11.871 177 2HG GLU 22 1HG GLU 22 -4.829 -10.598 10.445 178 H GLU 23 H GLU 23 -0.689 -11.919 11.883 179 HA GLU 23 HA GLU 23 -0.327 -12.893 14.579 180 1HB GLU 23 2HB GLU 23 0.395 -14.399 12.918 181 2HB GLU 23 1HB GLU 23 1.217 -13.141 12.009 182 1HG GLU 23 2HG GLU 23 3.105 -13.358 13.176 183 2HG GLU 23 1HG GLU 23 2.255 -13.530 14.711 184 H GLU 24 H GLU 24 0.949 -10.375 12.500 185 HA GLU 24 HA GLU 24 3.064 -9.610 14.269 186 1HB GLU 24 2HB GLU 24 1.814 -8.005 12.034 187 2HB GLU 24 1HB GLU 24 3.383 -7.727 12.775 188 1HG GLU 24 2HG GLU 24 2.601 -10.153 11.174 189 2HG GLU 24 1HG GLU 24 3.583 -8.806 10.599 190 H GLY 25 H GLY 25 -0.287 -8.729 13.859 191 1HA GLY 25 2HA GLY 25 -1.609 -7.723 15.519 192 2HA GLY 25 1HA GLY 25 -0.144 -7.165 16.313 193 H TYR 26 H TYR 26 -1.919 -6.709 13.263 194 HA TYR 26 HA TYR 26 -1.458 -3.812 13.529 195 1HB TYR 26 2HB TYR 26 -1.054 -5.562 11.116 196 2HB TYR 26 1HB TYR 26 -1.385 -3.848 10.945 197 HD1 TYR 26 1HD TYR 26 0.334 -2.278 11.122 198 HD2 TYR 26 2HD TYR 26 0.997 -6.257 12.468 199 HE1 TYR 26 1HE TYR 26 2.725 -1.782 11.387 200 HE2 TYR 26 2HE TYR 26 3.392 -5.773 12.734 201 HH TYR 26 HH TYR 26 5.062 -4.220 11.919 202 H HIS 27 H HIS 27 -2.823 -2.780 11.578 203 HA HIS 27 HA HIS 27 -5.536 -3.916 11.705 204 1HB HIS 27 2HB HIS 27 -4.738 -1.504 12.838 205 2HB HIS 27 1HB HIS 27 -5.443 -1.019 11.300 206 HD1 HIS 27 1HD HIS 27 -6.756 -3.923 13.294 207 HD2 HIS 27 2HD HIS 27 -7.770 0.005 12.396 208 HE1 HIS 27 1HE HIS 27 -9.106 -3.625 14.140 209 HE2 HIS 27 2HE HIS 27 -9.730 -1.269 13.504 210 HA PRO 28 HA PRO 28 -4.230 -3.470 7.337 211 1HB PRO 28 2HB PRO 28 -4.851 -5.947 6.526 212 2HB PRO 28 1HB PRO 28 -3.358 -5.598 7.406 213 1HG PRO 28 2HG PRO 28 -5.904 -6.805 8.392 214 2HG PRO 28 1HG PRO 28 -4.231 -7.212 8.812 215 1HD PRO 28 2HD PRO 28 -5.919 -5.629 10.338 216 2HD PRO 28 1HD PRO 28 -4.150 -5.630 10.452 217 H ASP 29 H ASP 29 -5.429 -2.895 5.644 218 HA ASP 29 HA ASP 29 -8.245 -3.672 5.510 219 1HB ASP 29 2HB ASP 29 -8.224 -1.472 6.602 220 2HB ASP 29 1HB ASP 29 -7.238 -0.822 5.295 221 H THR 30 H THR 30 -8.900 -4.077 3.428 222 HA THR 30 HA THR 30 -6.947 -3.425 1.326 223 HB THR 30 HB THR 30 -7.323 -5.521 0.280 224 HG1 THR 30 1HG THR 30 -9.503 -5.730 2.059 225 1HG2 THR 30 1HG2 THR 30 -6.507 -7.061 1.798 226 2HG2 THR 30 2HG2 THR 30 -7.380 -6.341 3.150 227 3HG2 THR 30 3HG2 THR 30 -5.980 -5.517 2.467 228 H ALA 31 H ALA 31 -7.648 -2.443 -0.443 229 HA ALA 31 HA ALA 31 -10.501 -1.836 -0.631 230 1HB ALA 31 1HB ALA 31 -8.905 0.040 -0.610 231 2HB ALA 31 2HB ALA 31 -9.839 -0.019 -2.105 232 3HB ALA 31 3HB ALA 31 -8.168 -0.585 -2.084 233 H LYS 32 H LYS 32 -9.199 -1.299 -3.626 234 HA LYS 32 HA LYS 32 -9.346 -3.973 -4.669 235 1HB LYS 32 2HB LYS 32 -11.414 -2.009 -5.657 236 2HB LYS 32 1HB LYS 32 -11.273 -3.717 -6.053 237 1HG LYS 32 2HG LYS 32 -11.843 -4.279 -3.726 238 2HG LYS 32 1HG LYS 32 -12.047 -2.560 -3.383 239 1HD LYS 32 2HD LYS 32 -14.024 -2.437 -4.490 240 2HD LYS 32 1HD LYS 32 -13.542 -3.629 -5.698 241 1HE LYS 32 2HE LYS 32 -15.048 -4.908 -4.593 242 2HE LYS 32 1HE LYS 32 -13.660 -5.219 -3.550 243 1HZ LYS 32 1HZ LYS 32 -16.083 -3.730 -3.009 244 2HZ LYS 32 2HZ LYS 32 -14.664 -2.997 -2.451 245 3HZ LYS 32 3HZ LYS 32 -15.063 -4.562 -1.947 246 H THR 33 H THR 33 -9.339 -0.511 -5.337 247 HA THR 33 HA THR 33 -7.144 -0.852 -7.188 248 HB THR 33 HB THR 33 -8.239 0.375 -9.012 249 HG1 THR 33 1HG THR 33 -9.816 1.546 -8.106 250 1HG2 THR 33 1HG2 THR 33 -9.875 -2.011 -8.188 251 2HG2 THR 33 2HG2 THR 33 -8.372 -2.055 -9.110 252 3HG2 THR 33 3HG2 THR 33 -9.808 -1.297 -9.801 253 H LEU 34 H LEU 34 -6.581 1.475 -8.081 254 HA LEU 34 HA LEU 34 -5.910 3.047 -5.874 255 1HB LEU 34 2HB LEU 34 -6.059 3.751 -8.804 256 2HB LEU 34 1HB LEU 34 -5.380 4.815 -7.586 257 HG LEU 34 HG LEU 34 -4.327 2.028 -7.984 258 1HD1 LEU 34 1HD1 LEU 34 -2.675 2.859 -9.502 259 2HD1 LEU 34 2HD1 LEU 34 -3.291 4.505 -9.349 260 3HD1 LEU 34 3HD1 LEU 34 -4.267 3.268 -10.140 261 1HD2 LEU 34 1HD2 LEU 34 -3.269 2.694 -6.119 262 2HD2 LEU 34 2HD2 LEU 34 -3.619 4.398 -6.406 263 3HD2 LEU 34 3HD2 LEU 34 -2.265 3.625 -7.230 264 H ARG 35 H ARG 35 -8.649 3.229 -8.075 265 HA ARG 35 HA ARG 35 -9.648 5.713 -7.131 266 1HB ARG 35 2HB ARG 35 -10.533 3.583 -8.926 267 2HB ARG 35 1HB ARG 35 -11.859 4.298 -8.019 268 1HG ARG 35 2HG ARG 35 -11.575 6.374 -8.979 269 2HG ARG 35 1HG ARG 35 -9.892 6.060 -9.406 270 1HD ARG 35 2HD ARG 35 -11.019 5.966 -11.446 271 2HD ARG 35 1HD ARG 35 -10.825 4.275 -10.989 272 HE ARG 35 HE ARG 35 -13.308 5.806 -11.035 273 1HH1 ARG 35 1HH1 ARG 35 -11.687 2.797 -10.299 274 2HH1 ARG 35 2HH1 ARG 35 -13.154 1.880 -10.255 275 1HH2 ARG 35 1HH2 ARG 35 -15.230 4.594 -10.973 276 2HH2 ARG 35 2HH2 ARG 35 -15.162 2.897 -10.636 277 H GLU 36 H GLU 36 -10.321 2.334 -6.326 278 HA GLU 36 HA GLU 36 -12.322 2.836 -4.404 279 1HB GLU 36 2HB GLU 36 -11.028 0.573 -5.498 280 2HB GLU 36 1HB GLU 36 -10.819 0.470 -3.756 281 1HG GLU 36 2HG GLU 36 -12.798 -0.615 -3.963 282 2HG GLU 36 1HG GLU 36 -13.393 1.032 -3.761 283 H ALA 37 H ALA 37 -8.808 2.685 -4.236 284 HA ALA 37 HA ALA 37 -8.574 2.658 -1.421 285 1HB ALA 37 1HB ALA 37 -6.489 4.088 -2.948 286 2HB ALA 37 2HB ALA 37 -6.804 2.424 -3.440 287 3HB ALA 37 3HB ALA 37 -6.342 2.779 -1.775 288 H GLU 38 H GLU 38 -8.418 5.364 -3.749 289 HA GLU 38 HA GLU 38 -8.068 7.448 -1.994 290 1HB GLU 38 2HB GLU 38 -9.730 7.341 -4.509 291 2HB GLU 38 1HB GLU 38 -9.370 8.831 -3.650 292 1HG GLU 38 2HG GLU 38 -6.915 8.183 -3.935 293 2HG GLU 38 1HG GLU 38 -7.499 7.020 -5.125 294 H LYS 39 H LYS 39 -11.102 5.865 -2.908 295 HA LYS 39 HA LYS 39 -12.863 7.509 -1.503 296 1HB LYS 39 2HB LYS 39 -13.621 5.796 -3.079 297 2HB LYS 39 1HB LYS 39 -13.048 4.531 -2.001 298 1HG LYS 39 2HG LYS 39 -15.002 6.477 -0.915 299 2HG LYS 39 1HG LYS 39 -15.583 5.283 -2.077 300 1HD LYS 39 2HD LYS 39 -14.376 3.560 -0.600 301 2HD LYS 39 1HD LYS 39 -14.336 4.838 0.617 302 1HE LYS 39 2HE LYS 39 -16.626 4.849 0.876 303 2HE LYS 39 1HE LYS 39 -16.915 4.184 -0.730 304 1HZ LYS 39 1HZ LYS 39 -15.784 2.678 1.566 305 2HZ LYS 39 2HZ LYS 39 -16.117 2.047 0.033 306 3HZ LYS 39 3HZ LYS 39 -17.383 2.577 1.024 307 H LYS 40 H LYS 40 -11.067 4.644 -0.451 308 HA LYS 40 HA LYS 40 -12.088 4.683 2.211 309 1HB LYS 40 2HB LYS 40 -9.898 3.227 0.796 310 2HB LYS 40 1HB LYS 40 -9.984 3.172 2.550 311 1HG LYS 40 2HG LYS 40 -12.576 2.638 1.529 312 2HG LYS 40 1HG LYS 40 -11.420 1.632 0.654 313 1HD LYS 40 2HD LYS 40 -10.702 0.558 2.590 314 2HD LYS 40 1HD LYS 40 -11.309 1.840 3.642 315 1HE LYS 40 2HE LYS 40 -13.625 1.100 2.611 316 2HE LYS 40 1HE LYS 40 -12.761 -0.413 2.345 317 1HZ LYS 40 1HZ LYS 40 -14.023 -0.115 4.527 318 2HZ LYS 40 2HZ LYS 40 -12.753 0.902 4.990 319 3HZ LYS 40 3HZ LYS 40 -12.445 -0.719 4.612 320 H ILE 41 H ILE 41 -9.075 5.756 0.703 321 HA ILE 41 HA ILE 41 -7.869 6.652 3.115 322 HB ILE 41 HB ILE 41 -7.233 7.560 0.311 323 1HG1 ILE 41 2HG1 ILE 41 -5.805 5.359 1.781 324 2HG1 ILE 41 1HG1 ILE 41 -7.245 5.011 0.831 325 1HG2 ILE 41 1HG2 ILE 41 -5.695 7.623 2.896 326 2HG2 ILE 41 2HG2 ILE 41 -6.174 8.985 1.883 327 3HG2 ILE 41 3HG2 ILE 41 -4.943 7.855 1.318 328 1HD1 ILE 41 1HD1 ILE 41 -6.037 6.168 -1.093 329 2HD1 ILE 41 2HD1 ILE 41 -5.464 4.575 -0.602 330 3HD1 ILE 41 3HD1 ILE 41 -4.586 6.021 -0.101 331 H LYS 42 H LYS 42 -10.283 8.005 1.097 332 HA LYS 42 HA LYS 42 -9.828 10.736 1.369 333 1HB LYS 42 2HB LYS 42 -11.622 9.424 0.016 334 2HB LYS 42 1HB LYS 42 -12.599 9.624 1.463 335 1HG LYS 42 2HG LYS 42 -11.373 12.113 0.677 336 2HG LYS 42 1HG LYS 42 -12.322 11.417 -0.636 337 1HD LYS 42 2HD LYS 42 -13.547 11.412 2.062 338 2HD LYS 42 1HD LYS 42 -13.390 12.974 1.254 339 1HE LYS 42 2HE LYS 42 -14.483 10.691 -0.305 340 2HE LYS 42 1HE LYS 42 -15.516 11.427 0.920 341 1HZ LYS 42 1HZ LYS 42 -15.350 12.309 -1.578 342 2HZ LYS 42 2HZ LYS 42 -14.151 13.268 -0.867 343 3HZ LYS 42 3HZ LYS 42 -15.734 13.309 -0.270 344 H GLU 43 H GLU 43 -10.812 8.425 3.719 345 HA GLU 43 HA GLU 43 -11.315 10.604 5.625 346 1HB GLU 43 2HB GLU 43 -12.598 7.874 5.740 347 2HB GLU 43 1HB GLU 43 -12.961 9.266 6.752 348 1HG GLU 43 2HG GLU 43 -14.293 10.211 5.211 349 2HG GLU 43 1HG GLU 43 -13.280 9.694 3.863 350 H LEU 44 H LEU 44 -10.679 7.092 5.665 351 HA LEU 44 HA LEU 44 -9.416 7.005 8.136 352 1HB LEU 44 2HB LEU 44 -9.736 5.249 5.857 353 2HB LEU 44 1HB LEU 44 -8.156 5.048 6.589 354 HG LEU 44 HG LEU 44 -9.786 3.464 7.500 355 1HD1 LEU 44 1HD1 LEU 44 -8.930 3.570 9.582 356 2HD1 LEU 44 2HD1 LEU 44 -9.390 5.258 9.804 357 3HD1 LEU 44 3HD1 LEU 44 -7.943 4.852 8.881 358 1HD2 LEU 44 1HD2 LEU 44 -11.667 4.197 8.814 359 2HD2 LEU 44 2HD2 LEU 44 -11.777 4.905 7.202 360 3HD2 LEU 44 3HD2 LEU 44 -11.231 5.888 8.561 361 H PHE 45 H PHE 45 -7.439 7.494 8.876 362 HA PHE 45 HA PHE 45 -5.545 8.680 6.987 363 1HB PHE 45 2HB PHE 45 -6.256 9.961 9.017 364 2HB PHE 45 1HB PHE 45 -5.472 8.736 10.010 365 HD1 PHE 45 1HD PHE 45 -4.876 11.345 7.464 366 HD2 PHE 45 2HD PHE 45 -3.147 8.771 10.378 367 HE1 PHE 45 1HE PHE 45 -2.746 12.560 7.266 368 HE2 PHE 45 2HE PHE 45 -1.013 9.981 10.187 369 HZ PHE 45 HZ PHE 45 -0.810 11.878 8.628 370 H PHE 46 H PHE 46 -5.378 6.189 6.437 371 HA PHE 46 HA PHE 46 -3.934 4.446 8.064 372 1HB PHE 46 2HB PHE 46 -4.192 4.686 5.076 373 2HB PHE 46 1HB PHE 46 -3.206 3.431 5.813 374 HD1 PHE 46 1HD PHE 46 -6.328 4.140 4.501 375 HD2 PHE 46 2HD PHE 46 -4.491 2.103 7.754 376 HE1 PHE 46 1HE PHE 46 -8.323 2.720 4.731 377 HE2 PHE 46 2HE PHE 46 -6.482 0.676 7.988 378 HZ PHE 46 HZ PHE 46 -8.402 0.985 6.478 379 HA PRO 47 HA PRO 47 0.053 6.493 8.014 380 1HB PRO 47 2HB PRO 47 1.453 4.559 9.309 381 2HB PRO 47 1HB PRO 47 0.372 5.680 10.144 382 1HG PRO 47 2HG PRO 47 -0.101 2.856 9.308 383 2HG PRO 47 1HG PRO 47 -0.570 3.672 10.808 384 1HD PRO 47 2HD PRO 47 -2.302 3.226 8.754 385 2HD PRO 47 1HD PRO 47 -2.445 4.603 9.862 386 H VAL 48 H VAL 48 -0.534 3.219 6.918 387 HA VAL 48 HA VAL 48 1.660 3.522 4.988 388 HB VAL 48 HB VAL 48 0.858 0.903 6.242 389 1HG1 VAL 48 1HG1 VAL 48 3.084 1.773 4.421 390 2HG1 VAL 48 2HG1 VAL 48 1.897 0.491 4.174 391 3HG1 VAL 48 3HG1 VAL 48 3.175 0.290 5.373 392 1HG2 VAL 48 1HG2 VAL 48 1.723 2.135 8.034 393 2HG2 VAL 48 2HG2 VAL 48 2.958 2.894 7.028 394 3HG2 VAL 48 3HG2 VAL 48 3.088 1.185 7.444 395 H ILE 49 H ILE 49 1.221 3.015 2.929 396 HA ILE 49 HA ILE 49 -1.310 1.666 2.277 397 HB ILE 49 HB ILE 49 -0.351 4.036 0.694 398 1HG1 ILE 49 2HG1 ILE 49 -0.827 4.675 3.095 399 2HG1 ILE 49 1HG1 ILE 49 -1.801 5.504 1.885 400 1HG2 ILE 49 1HG2 ILE 49 -3.046 2.707 0.913 401 2HG2 ILE 49 2HG2 ILE 49 -1.887 2.487 -0.398 402 3HG2 ILE 49 3HG2 ILE 49 -2.636 4.063 -0.138 403 1HD1 ILE 49 1HD1 ILE 49 -2.595 3.610 3.988 404 2HD1 ILE 49 2HD1 ILE 49 -3.425 3.445 2.442 405 3HD1 ILE 49 3HD1 ILE 49 -3.462 4.982 3.301 406 H VAL 50 H VAL 50 -0.484 -0.218 1.371 407 HA VAL 50 HA VAL 50 1.723 0.054 -0.529 408 HB VAL 50 HB VAL 50 0.544 -2.425 0.741 409 1HG1 VAL 50 1HG1 VAL 50 3.245 -2.572 -0.361 410 2HG1 VAL 50 2HG1 VAL 50 1.999 -2.282 -1.575 411 3HG1 VAL 50 3HG1 VAL 50 1.891 -3.690 -0.519 412 1HG2 VAL 50 1HG2 VAL 50 3.151 -2.104 1.628 413 2HG2 VAL 50 2HG2 VAL 50 1.680 -1.805 2.552 414 3HG2 VAL 50 3HG2 VAL 50 2.468 -0.481 1.695 415 H LEU 51 H LEU 51 1.412 -0.214 -2.654 416 HA LEU 51 HA LEU 51 -1.275 -0.862 -3.588 417 1HB LEU 51 2HB LEU 51 -0.031 1.135 -4.449 418 2HB LEU 51 1HB LEU 51 1.114 0.037 -5.195 419 HG LEU 51 HG LEU 51 -0.652 -0.875 -6.623 420 1HD1 LEU 51 1HD1 LEU 51 -2.690 -0.769 -5.642 421 2HD1 LEU 51 2HD1 LEU 51 -2.787 0.736 -6.556 422 3HD1 LEU 51 3HD1 LEU 51 -2.352 0.768 -4.847 423 1HD2 LEU 51 1HD2 LEU 51 -0.061 2.043 -6.594 424 2HD2 LEU 51 2HD2 LEU 51 -1.248 1.427 -7.744 425 3HD2 LEU 51 3HD2 LEU 51 0.402 0.807 -7.763 426 H ASP 52 H ASP 52 -1.490 -2.294 -5.496 427 HA ASP 52 HA ASP 52 0.575 -4.278 -5.890 428 1HB ASP 52 2HB ASP 52 -1.240 -4.753 -3.877 429 2HB ASP 52 1HB ASP 52 -1.970 -5.578 -5.248 430 H VAL 53 H VAL 53 0.216 -2.997 -7.928 431 HA VAL 53 HA VAL 53 -2.114 -3.224 -9.462 432 HB VAL 53 HB VAL 53 -0.511 -1.608 -10.155 433 1HG1 VAL 53 1HG1 VAL 53 1.738 -2.082 -10.823 434 2HG1 VAL 53 2HG1 VAL 53 1.474 -3.816 -10.644 435 3HG1 VAL 53 3HG1 VAL 53 1.475 -2.772 -9.225 436 1HG2 VAL 53 1HG2 VAL 53 -0.453 -1.955 -12.444 437 2HG2 VAL 53 2HG2 VAL 53 -1.760 -3.017 -11.921 438 3HG2 VAL 53 3HG2 VAL 53 -0.169 -3.688 -12.275 439 H TRP 54 H TRP 54 -2.772 -5.421 -9.094 440 HA TRP 54 HA TRP 54 -1.174 -7.545 -10.254 441 1HB TRP 54 2HB TRP 54 -2.309 -8.073 -8.206 442 2HB TRP 54 1HB TRP 54 -3.850 -7.515 -8.845 443 HD1 TRP 54 HD TRP 54 -5.392 -9.375 -9.689 444 HE1 TRP 54 1HE TRP 54 -5.095 -11.824 -10.426 445 HE3 TRP 54 3HE TRP 54 -0.300 -9.685 -9.437 446 HZ2 TRP 54 2HZ TRP 54 -2.979 -13.648 -10.844 447 HZ3 TRP 54 3HZ TRP 54 0.785 -11.816 -10.020 448 HH2 TRP 54 HH TRP 54 -0.529 -13.755 -10.709 449 H MET 55 H MET 55 -4.659 -7.493 -10.614 450 HA MET 55 HA MET 55 -4.556 -8.278 -13.315 451 1HB MET 55 2HB MET 55 -6.689 -7.458 -11.413 452 2HB MET 55 1HB MET 55 -7.078 -7.423 -13.127 453 1HG MET 55 2HG MET 55 -5.938 -9.856 -12.943 454 2HG MET 55 1HG MET 55 -6.628 -9.704 -11.328 455 1HE MET 55 1HE MET 55 -9.147 -12.019 -13.215 456 2HE MET 55 2HE MET 55 -7.680 -11.960 -12.238 457 3HE MET 55 3HE MET 55 -7.575 -11.833 -13.994 458 HA PRO 56 HA PRO 56 -5.897 -3.712 -14.313 459 1HB PRO 56 2HB PRO 56 -5.268 -1.848 -12.424 460 2HB PRO 56 1HB PRO 56 -6.840 -2.652 -12.512 461 1HG PRO 56 2HG PRO 56 -4.489 -3.277 -10.764 462 2HG PRO 56 1HG PRO 56 -6.211 -3.201 -10.338 463 1HD PRO 56 2HD PRO 56 -4.965 -5.538 -10.767 464 2HD PRO 56 1HD PRO 56 -6.655 -5.286 -11.246 465 H ASP 57 H ASP 57 -4.493 -1.457 -14.265 466 HA ASP 57 HA ASP 57 -1.704 -2.315 -14.680 467 1HB ASP 57 2HB ASP 57 -3.233 -0.172 -16.169 468 2HB ASP 57 1HB ASP 57 -1.557 -0.628 -16.455 469 H GLY 58 H GLY 58 -3.814 -0.002 -13.192 470 1HA GLY 58 2HA GLY 58 -3.409 1.696 -11.705 471 2HA GLY 58 1HA GLY 58 -1.846 0.941 -11.430 472 H ASP 59 H ASP 59 -0.041 1.631 -12.631 473 HA ASP 59 HA ASP 59 1.307 3.282 -13.448 474 1HB ASP 59 2HB ASP 59 -0.184 2.355 -15.463 475 2HB ASP 59 1HB ASP 59 -0.739 4.027 -15.478 476 H GLY 60 H GLY 60 -0.574 4.079 -11.374 477 1HA GLY 60 2HA GLY 60 -1.424 6.761 -12.089 478 2HA GLY 60 1HA GLY 60 -1.657 5.971 -10.538 479 H VAL 61 H VAL 61 0.888 7.372 -12.594 480 HA VAL 61 HA VAL 61 2.860 7.610 -10.645 481 HB VAL 61 HB VAL 61 2.352 9.436 -12.999 482 1HG1 VAL 61 1HG1 VAL 61 4.670 9.072 -11.151 483 2HG1 VAL 61 2HG1 VAL 61 3.904 10.562 -11.703 484 3HG1 VAL 61 3HG1 VAL 61 4.916 9.628 -12.807 485 1HG2 VAL 61 1HG2 VAL 61 4.299 7.160 -12.949 486 2HG2 VAL 61 2HG2 VAL 61 3.603 7.999 -14.335 487 3HG2 VAL 61 3HG2 VAL 61 2.610 6.896 -13.381 488 H ASN 62 H ASN 62 0.203 9.773 -11.513 489 HA ASN 62 HA ASN 62 0.982 11.867 -9.772 490 1HB ASN 62 2HB ASN 62 -1.272 12.719 -10.342 491 2HB ASN 62 1HB ASN 62 -0.316 12.315 -11.752 492 1HD2 ASN 62 1HD2 ASN 62 -1.037 10.799 -13.133 493 2HD2 ASN 62 2HD2 ASN 62 -2.525 9.942 -12.950 494 H PHE 63 H PHE 63 -0.467 8.844 -9.241 495 HA PHE 63 HA PHE 63 -2.313 9.472 -7.209 496 1HB PHE 63 2HB PHE 63 -2.263 7.287 -8.358 497 2HB PHE 63 1HB PHE 63 -0.735 6.914 -7.563 498 HD1 PHE 63 1HD PHE 63 -4.127 8.129 -6.600 499 HD2 PHE 63 2HD PHE 63 -0.871 5.529 -5.734 500 HE1 PHE 63 1HE PHE 63 -5.352 7.246 -4.663 501 HE2 PHE 63 2HE PHE 63 -2.094 4.642 -3.791 502 HZ PHE 63 HZ PHE 63 -4.341 5.504 -3.254 503 H ILE 64 H ILE 64 1.129 8.619 -7.071 504 HA ILE 64 HA ILE 64 1.503 8.355 -4.368 505 HB ILE 64 HB ILE 64 3.390 9.826 -6.210 506 1HG1 ILE 64 2HG1 ILE 64 4.302 7.229 -5.943 507 2HG1 ILE 64 1HG1 ILE 64 2.559 7.024 -6.090 508 1HG2 ILE 64 1HG2 ILE 64 5.122 8.949 -4.672 509 2HG2 ILE 64 2HG2 ILE 64 3.839 8.350 -3.622 510 3HG2 ILE 64 3HG2 ILE 64 4.013 10.082 -3.900 511 1HD1 ILE 64 1HD1 ILE 64 3.976 8.795 -8.015 512 2HD1 ILE 64 2HD1 ILE 64 2.511 7.836 -8.229 513 3HD1 ILE 64 3HD1 ILE 64 4.087 7.046 -8.200 514 H ASP 65 H ASP 65 0.845 11.267 -6.159 515 HA ASP 65 HA ASP 65 1.597 13.049 -4.035 516 1HB ASP 65 2HB ASP 65 1.241 13.398 -6.705 517 2HB ASP 65 1HB ASP 65 -0.293 14.015 -6.099 518 H PHE 66 H PHE 66 -1.316 11.407 -5.059 519 HA PHE 66 HA PHE 66 -3.175 12.938 -3.596 520 1HB PHE 66 2HB PHE 66 -4.101 11.501 -5.222 521 2HB PHE 66 1HB PHE 66 -3.169 10.119 -4.661 522 HD1 PHE 66 1HD PHE 66 -3.806 8.997 -2.526 523 HD2 PHE 66 2HD PHE 66 -6.229 11.990 -4.337 524 HE1 PHE 66 1HE PHE 66 -5.723 8.263 -1.170 525 HE2 PHE 66 2HE PHE 66 -8.149 11.262 -2.983 526 HZ PHE 66 HZ PHE 66 -7.897 9.396 -1.396 527 H ILE 67 H ILE 67 -1.311 10.034 -2.802 528 HA ILE 67 HA ILE 67 -2.377 9.603 -0.242 529 HB ILE 67 HB ILE 67 0.369 8.921 -1.311 530 1HG1 ILE 67 2HG1 ILE 67 -0.879 6.575 -1.199 531 2HG1 ILE 67 1HG1 ILE 67 -2.305 7.595 -1.369 532 1HG2 ILE 67 1HG2 ILE 67 0.812 8.595 0.881 533 2HG2 ILE 67 2HG2 ILE 67 -0.071 7.091 0.613 534 3HG2 ILE 67 3HG2 ILE 67 -0.893 8.482 1.320 535 1HD1 ILE 67 1HD1 ILE 67 -0.322 8.373 -3.279 536 2HD1 ILE 67 2HD1 ILE 67 -1.962 7.779 -3.542 537 3HD1 ILE 67 3HD1 ILE 67 -0.624 6.640 -3.388 538 H LYS 68 H LYS 68 0.408 11.518 -1.335 539 HA LYS 68 HA LYS 68 1.052 12.358 1.334 540 1HB LYS 68 2HB LYS 68 2.706 13.819 0.262 541 2HB LYS 68 1HB LYS 68 2.821 12.165 -0.326 542 1HG LYS 68 2HG LYS 68 2.948 13.243 -2.290 543 2HG LYS 68 1HG LYS 68 1.196 13.108 -2.166 544 1HD LYS 68 2HD LYS 68 1.046 15.323 -2.313 545 2HD LYS 68 1HD LYS 68 1.921 15.455 -0.787 546 1HE LYS 68 2HE LYS 68 4.034 15.500 -1.961 547 2HE LYS 68 1HE LYS 68 3.217 15.238 -3.502 548 1HZ LYS 68 1HZ LYS 68 1.959 17.409 -2.709 549 2HZ LYS 68 2HZ LYS 68 3.410 17.477 -3.576 550 3HZ LYS 68 3HZ LYS 68 3.418 17.662 -1.893 551 H GLU 69 H GLU 69 -1.049 13.426 -1.171 552 HA GLU 69 HA GLU 69 -1.249 16.161 -0.535 553 1HB GLU 69 2HB GLU 69 -2.167 15.036 -2.597 554 2HB GLU 69 1HB GLU 69 -3.465 14.409 -1.593 555 1HG GLU 69 2HG GLU 69 -3.916 16.851 -0.982 556 2HG GLU 69 1HG GLU 69 -2.894 17.244 -2.363 557 H ASN 70 H ASN 70 -2.885 13.299 0.680 558 HA ASN 70 HA ASN 70 -4.015 14.928 2.858 559 1HB ASN 70 2HB ASN 70 -5.344 12.377 2.057 560 2HB ASN 70 1HB ASN 70 -6.043 13.831 2.761 561 1HD2 ASN 70 1HD2 ASN 70 -4.521 12.632 -0.203 562 2HD2 ASN 70 2HD2 ASN 70 -5.470 13.588 -1.284 563 H SER 71 H SER 71 -1.534 13.122 2.405 564 HA SER 71 HA SER 71 -1.401 12.118 5.051 565 1HB SER 71 2HB SER 71 -2.736 10.406 3.353 566 2HB SER 71 1HB SER 71 -1.087 9.791 3.292 567 HG SER 71 HG SER 71 -2.906 9.784 5.367 568 HA PRO 72 HA PRO 72 2.620 12.735 2.839 569 1HB PRO 72 2HB PRO 72 3.298 14.900 4.555 570 2HB PRO 72 1HB PRO 72 2.856 14.979 2.850 571 1HG PRO 72 2HG PRO 72 1.352 15.986 4.967 572 2HG PRO 72 1HG PRO 72 0.757 15.684 3.328 573 1HD PRO 72 2HD PRO 72 0.447 14.041 5.795 574 2HD PRO 72 1HD PRO 72 -0.677 14.270 4.438 575 H ASP 73 H ASP 73 1.600 12.066 5.973 576 HA ASP 73 HA ASP 73 4.317 11.603 6.956 577 1HB ASP 73 2HB ASP 73 2.345 12.795 8.252 578 2HB ASP 73 1HB ASP 73 1.935 11.133 8.668 579 H SER 74 H SER 74 1.984 9.926 5.320 580 HA SER 74 HA SER 74 2.323 7.411 6.721 581 1HB SER 74 2HB SER 74 0.968 6.911 4.336 582 2HB SER 74 1HB SER 74 0.243 7.160 5.922 583 HG SER 74 HG SER 74 -0.192 9.219 5.421 584 H VAL 75 H VAL 75 2.358 5.555 4.749 585 HA VAL 75 HA VAL 75 4.845 6.086 3.261 586 HB VAL 75 HB VAL 75 4.119 3.490 4.637 587 1HG1 VAL 75 1HG1 VAL 75 6.208 4.269 2.695 588 2HG1 VAL 75 2HG1 VAL 75 5.451 2.703 2.987 589 3HG1 VAL 75 3HG1 VAL 75 6.735 3.273 4.052 590 1HG2 VAL 75 1HG2 VAL 75 4.982 5.692 5.911 591 2HG2 VAL 75 2HG2 VAL 75 6.530 5.000 5.425 592 3HG2 VAL 75 3HG2 VAL 75 5.409 4.053 6.403 593 H VAL 76 H VAL 76 5.048 5.070 1.244 594 HA VAL 76 HA VAL 76 2.625 3.725 0.250 595 HB VAL 76 HB VAL 76 4.304 5.486 -1.510 596 1HG1 VAL 76 1HG1 VAL 76 2.983 4.358 -2.951 597 2HG1 VAL 76 2HG1 VAL 76 1.805 5.587 -2.487 598 3HG1 VAL 76 3HG1 VAL 76 1.769 3.997 -1.725 599 1HG2 VAL 76 1HG2 VAL 76 2.041 6.288 0.293 600 2HG2 VAL 76 2HG2 VAL 76 2.422 7.183 -1.178 601 3HG2 VAL 76 3HG2 VAL 76 3.624 7.044 0.105 602 H ILE 77 H ILE 77 3.332 1.652 0.193 603 HA ILE 77 HA ILE 77 5.922 1.087 -1.071 604 HB ILE 77 HB ILE 77 4.193 -0.966 0.274 605 1HG1 ILE 77 2HG1 ILE 77 4.575 0.984 1.818 606 2HG1 ILE 77 1HG1 ILE 77 5.240 -0.543 2.388 607 1HG2 ILE 77 1HG2 ILE 77 6.169 -1.588 -1.159 608 2HG2 ILE 77 2HG2 ILE 77 6.185 -2.216 0.488 609 3HG2 ILE 77 3HG2 ILE 77 7.188 -0.828 0.064 610 1HD1 ILE 77 1HD1 ILE 77 7.386 0.455 1.110 611 2HD1 ILE 77 2HD1 ILE 77 7.036 0.729 2.816 612 3HD1 ILE 77 3HD1 ILE 77 6.596 1.946 1.620 613 H VAL 78 H VAL 78 4.829 1.683 -3.163 614 HA VAL 78 HA VAL 78 2.790 0.041 -4.249 615 HB VAL 78 HB VAL 78 4.858 1.633 -5.774 616 1HG1 VAL 78 1HG1 VAL 78 2.041 1.032 -6.621 617 2HG1 VAL 78 2HG1 VAL 78 3.366 -0.077 -6.968 618 3HG1 VAL 78 3HG1 VAL 78 3.402 1.567 -7.606 619 1HG2 VAL 78 1HG2 VAL 78 2.367 2.453 -4.344 620 2HG2 VAL 78 2HG2 VAL 78 2.861 3.307 -5.806 621 3HG2 VAL 78 3HG2 VAL 78 3.938 3.251 -4.410 622 H ILE 79 H ILE 79 2.861 -1.858 -5.301 623 HA ILE 79 HA ILE 79 5.433 -2.929 -6.204 624 HB ILE 79 HB ILE 79 3.635 -4.794 -4.721 625 1HG1 ILE 79 2HG1 ILE 79 5.714 -3.071 -3.366 626 2HG1 ILE 79 1HG1 ILE 79 3.976 -2.844 -3.219 627 1HG2 ILE 79 1HG2 ILE 79 6.111 -5.550 -4.102 628 2HG2 ILE 79 2HG2 ILE 79 6.459 -4.690 -5.602 629 3HG2 ILE 79 3HG2 ILE 79 5.319 -6.036 -5.599 630 1HD1 ILE 79 1HD1 ILE 79 3.727 -4.609 -1.827 631 2HD1 ILE 79 2HD1 ILE 79 5.401 -4.205 -1.446 632 3HD1 ILE 79 3HD1 ILE 79 5.042 -5.521 -2.567 633 H THR 80 H THR 80 4.965 -5.182 -7.303 634 HA THR 80 HA THR 80 3.845 -6.459 -8.831 635 HB THR 80 HB THR 80 1.415 -4.743 -8.912 636 HG1 THR 80 1HG THR 80 0.794 -5.925 -6.899 637 1HG2 THR 80 1HG2 THR 80 0.240 -6.812 -8.886 638 2HG2 THR 80 2HG2 THR 80 1.712 -7.701 -8.492 639 3HG2 THR 80 3HG2 THR 80 1.545 -6.926 -10.068 640 H GLY 81 H GLY 81 3.552 -6.424 -11.075 641 1HA GLY 81 2HA GLY 81 3.003 -4.359 -12.760 642 2HA GLY 81 1HA GLY 81 4.694 -4.110 -12.355 643 H HIS 82 H HIS 82 2.399 -6.364 -13.791 644 HA HIS 82 HA HIS 82 4.196 -8.322 -14.650 645 1HB HIS 82 2HB HIS 82 1.728 -7.481 -16.172 646 2HB HIS 82 1HB HIS 82 2.473 -9.076 -16.119 647 HD1 HIS 82 1HD HIS 82 2.641 -9.784 -13.274 648 HD2 HIS 82 2HD HIS 82 -0.569 -7.613 -14.772 649 HE1 HIS 82 1HE HIS 82 0.774 -10.125 -11.628 650 HE2 HIS 82 2HE HIS 82 -1.128 -8.726 -12.505 651 H GLY 83 H GLY 83 5.967 -7.971 -15.816 652 1HA GLY 83 2HA GLY 83 7.375 -7.194 -17.456 653 2HA GLY 83 1HA GLY 83 5.950 -7.210 -18.482 654 H SER 84 H SER 84 7.205 -5.227 -15.791 655 HA SER 84 HA SER 84 7.405 -2.891 -17.404 656 1HB SER 84 2HB SER 84 4.965 -3.265 -15.698 657 2HB SER 84 1HB SER 84 5.635 -1.649 -15.928 658 HG SER 84 HG SER 84 5.540 -2.230 -18.264 659 H VAL 85 H VAL 85 9.358 -2.429 -16.558 660 HA VAL 85 HA VAL 85 9.566 -2.163 -13.633 661 HB VAL 85 HB VAL 85 11.140 -3.772 -14.667 662 1HG1 VAL 85 1HG1 VAL 85 11.381 -2.615 -16.831 663 2HG1 VAL 85 2HG1 VAL 85 12.934 -3.013 -16.096 664 3HG1 VAL 85 3HG1 VAL 85 12.326 -1.358 -16.032 665 1HG2 VAL 85 1HG2 VAL 85 11.771 -1.603 -12.912 666 2HG2 VAL 85 2HG2 VAL 85 13.196 -2.019 -13.865 667 3HG2 VAL 85 3HG2 VAL 85 12.386 -3.256 -12.904 668 H ASP 86 H ASP 86 8.413 -0.169 -15.431 669 HA ASP 86 HA ASP 86 10.379 2.002 -15.082 670 1HB ASP 86 2HB ASP 86 9.220 3.185 -16.902 671 2HB ASP 86 1HB ASP 86 9.819 1.618 -17.439 672 H THR 87 H THR 87 7.031 0.998 -14.615 673 HA THR 87 HA THR 87 6.021 3.458 -13.703 674 HB THR 87 HB THR 87 4.818 1.173 -14.260 675 HG1 THR 87 1HG THR 87 3.863 3.238 -13.653 676 1HG2 THR 87 1HG2 THR 87 5.924 0.200 -12.063 677 2HG2 THR 87 2HG2 THR 87 4.304 -0.266 -12.583 678 3HG2 THR 87 3HG2 THR 87 4.510 0.948 -11.321 679 H ALA 88 H ALA 88 7.928 0.982 -12.184 680 HA ALA 88 HA ALA 88 7.577 1.689 -9.492 681 1HB ALA 88 1HB ALA 88 9.910 0.437 -10.930 682 2HB ALA 88 2HB ALA 88 8.634 -0.387 -10.037 683 3HB ALA 88 3HB ALA 88 9.813 0.602 -9.178 684 H VAL 89 H VAL 89 10.250 2.497 -11.685 685 HA VAL 89 HA VAL 89 11.434 4.407 -9.997 686 HB VAL 89 HB VAL 89 12.725 5.108 -11.935 687 1HG1 VAL 89 1HG1 VAL 89 12.852 2.707 -10.785 688 2HG1 VAL 89 2HG1 VAL 89 13.925 3.187 -12.098 689 3HG1 VAL 89 3HG1 VAL 89 12.505 2.198 -12.437 690 1HG2 VAL 89 1HG2 VAL 89 12.272 4.352 -14.167 691 2HG2 VAL 89 2HG2 VAL 89 10.812 5.117 -13.537 692 3HG2 VAL 89 3HG2 VAL 89 10.927 3.358 -13.608 693 H LYS 90 H LYS 90 8.710 4.566 -12.116 694 HA LYS 90 HA LYS 90 8.704 7.482 -12.154 695 1HB LYS 90 2HB LYS 90 8.082 6.015 -14.154 696 2HB LYS 90 1HB LYS 90 6.587 5.677 -13.293 697 1HG LYS 90 2HG LYS 90 6.038 8.048 -13.282 698 2HG LYS 90 1HG LYS 90 7.552 8.409 -14.115 699 1HD LYS 90 2HD LYS 90 5.717 6.421 -15.349 700 2HD LYS 90 1HD LYS 90 5.263 8.124 -15.424 701 1HE LYS 90 2HE LYS 90 6.650 8.403 -17.133 702 2HE LYS 90 1HE LYS 90 8.004 7.960 -16.095 703 1HZ LYS 90 1HZ LYS 90 7.335 6.613 -18.281 704 2HZ LYS 90 2HZ LYS 90 6.425 5.756 -17.142 705 3HZ LYS 90 3HZ LYS 90 8.101 5.896 -16.955 706 H ALA 91 H ALA 91 8.346 5.923 -9.671 707 HA ALA 91 HA ALA 91 5.996 7.303 -8.705 708 1HB ALA 91 1HB ALA 91 5.154 5.143 -7.634 709 2HB ALA 91 2HB ALA 91 6.168 4.307 -8.810 710 3HB ALA 91 3HB ALA 91 4.862 5.358 -9.359 711 H ILE 92 H ILE 92 8.642 5.055 -8.025 712 HA ILE 92 HA ILE 92 8.636 5.454 -5.220 713 HB ILE 92 HB ILE 92 10.644 4.216 -5.134 714 1HG1 ILE 92 2HG1 ILE 92 10.979 4.743 -8.097 715 2HG1 ILE 92 1HG1 ILE 92 11.938 5.467 -6.808 716 1HG2 ILE 92 1HG2 ILE 92 10.087 2.469 -7.124 717 2HG2 ILE 92 2HG2 ILE 92 8.572 3.365 -7.037 718 3HG2 ILE 92 3HG2 ILE 92 9.201 2.558 -5.603 719 1HD1 ILE 92 1HD1 ILE 92 12.903 3.359 -6.249 720 2HD1 ILE 92 2HD1 ILE 92 13.046 3.583 -7.993 721 3HD1 ILE 92 3HD1 ILE 92 11.808 2.511 -7.339 722 H LYS 93 H LYS 93 9.892 7.294 -7.841 723 HA LYS 93 HA LYS 93 11.658 8.815 -6.072 724 1HB LYS 93 2HB LYS 93 12.143 7.994 -8.558 725 2HB LYS 93 1HB LYS 93 11.338 9.508 -8.952 726 1HG LYS 93 2HG LYS 93 12.981 10.614 -7.357 727 2HG LYS 93 1HG LYS 93 13.873 9.093 -7.405 728 1HD LYS 93 2HD LYS 93 14.911 9.984 -9.182 729 2HD LYS 93 1HD LYS 93 13.435 9.574 -10.058 730 1HE LYS 93 2HE LYS 93 12.776 11.725 -10.218 731 2HE LYS 93 1HE LYS 93 13.375 12.135 -8.611 732 1HZ LYS 93 1HZ LYS 93 15.305 11.603 -10.760 733 2HZ LYS 93 2HZ LYS 93 15.456 12.605 -9.405 734 3HZ LYS 93 3HZ LYS 93 14.516 13.099 -10.721 735 H LYS 94 H LYS 94 8.690 8.906 -5.947 736 HA LYS 94 HA LYS 94 8.415 11.812 -6.260 737 1HB LYS 94 2HB LYS 94 7.239 10.724 -8.120 738 2HB LYS 94 1HB LYS 94 6.304 9.773 -6.974 739 1HG LYS 94 2HG LYS 94 5.085 11.622 -6.248 740 2HG LYS 94 1HG LYS 94 6.257 12.767 -6.905 741 1HD LYS 94 2HD LYS 94 4.829 10.910 -8.755 742 2HD LYS 94 1HD LYS 94 3.985 12.331 -8.137 743 1HE LYS 94 2HE LYS 94 6.063 13.637 -8.902 744 2HE LYS 94 1HE LYS 94 6.449 12.196 -9.842 745 1HZ LYS 94 1HZ LYS 94 4.364 14.173 -10.250 746 2HZ LYS 94 2HZ LYS 94 3.907 12.568 -10.526 747 3HZ LYS 94 3HZ LYS 94 5.205 13.234 -11.380 748 H GLY 95 H GLY 95 8.617 9.469 -4.073 749 1HA GLY 95 2HA GLY 95 8.039 10.513 -1.798 750 2HA GLY 95 1HA GLY 95 6.394 10.452 -2.411 751 H ALA 96 H ALA 96 7.104 7.837 -3.798 752 HA ALA 96 HA ALA 96 6.078 6.116 -1.844 753 1HB ALA 96 1HB ALA 96 5.802 4.796 -3.604 754 2HB ALA 96 2HB ALA 96 7.547 4.612 -3.782 755 3HB ALA 96 3HB ALA 96 6.716 5.947 -4.579 756 H TYR 97 H TYR 97 7.396 3.870 -1.581 757 HA TYR 97 HA TYR 97 9.950 4.618 -0.313 758 1HB TYR 97 2HB TYR 97 8.044 3.997 1.210 759 2HB TYR 97 1HB TYR 97 8.113 2.380 0.520 760 HD1 TYR 97 1HD TYR 97 10.101 4.881 2.409 761 HD2 TYR 97 2HD TYR 97 9.642 0.792 1.332 762 HE1 TYR 97 1HE TYR 97 11.826 4.261 4.047 763 HE2 TYR 97 2HE TYR 97 11.364 0.160 2.967 764 HH TYR 97 HH TYR 97 12.246 1.535 5.337 765 H GLU 98 H GLU 98 9.490 3.664 -3.039 766 HA GLU 98 HA GLU 98 10.823 2.461 -4.475 767 1HB GLU 98 2HB GLU 98 12.587 1.212 -3.781 768 2HB GLU 98 1HB GLU 98 12.282 2.065 -2.280 769 1HG GLU 98 2HG GLU 98 10.700 -0.068 -1.898 770 2HG GLU 98 1HG GLU 98 11.911 -0.784 -2.961 771 H PHE 99 H PHE 99 10.685 0.418 -5.588 772 HA PHE 99 HA PHE 99 8.063 -0.784 -5.193 773 1HB PHE 99 2HB PHE 99 9.748 -0.199 -7.441 774 2HB PHE 99 1HB PHE 99 9.351 -1.912 -7.445 775 HD1 PHE 99 1HD PHE 99 7.551 1.280 -6.724 776 HD2 PHE 99 2HD PHE 99 7.562 -2.459 -8.757 777 HE1 PHE 99 1HE PHE 99 5.355 1.807 -7.699 778 HE2 PHE 99 2HE PHE 99 5.367 -1.936 -9.738 779 HZ PHE 99 HZ PHE 99 4.260 0.198 -9.207 780 H LEU 100 H LEU 100 8.091 -2.371 -3.704 781 HA LEU 100 HA LEU 100 10.242 -4.030 -3.069 782 1HB LEU 100 2HB LEU 100 8.077 -3.612 -1.789 783 2HB LEU 100 1HB LEU 100 7.344 -4.808 -2.837 784 HG LEU 100 HG LEU 100 8.694 -6.552 -1.954 785 1HD1 LEU 100 1HD1 LEU 100 10.831 -5.988 -1.551 786 2HD1 LEU 100 2HD1 LEU 100 10.248 -5.627 0.073 787 3HD1 LEU 100 3HD1 LEU 100 10.417 -4.332 -1.111 788 1HD2 LEU 100 1HD2 LEU 100 8.174 -5.069 0.557 789 2HD2 LEU 100 2HD2 LEU 100 7.725 -6.711 0.094 790 3HD2 LEU 100 3HD2 LEU 100 6.812 -5.337 -0.531 791 H GLU 101 H GLU 101 10.406 -6.386 -3.429 792 HA GLU 101 HA GLU 101 10.518 -7.016 -6.142 793 1HB GLU 101 2HB GLU 101 10.600 -8.742 -3.674 794 2HB GLU 101 1HB GLU 101 10.795 -9.410 -5.289 795 1HG GLU 101 2HG GLU 101 12.626 -7.514 -5.462 796 2HG GLU 101 1HG GLU 101 12.622 -7.692 -3.707 797 H LYS 102 H LYS 102 8.937 -9.625 -4.594 798 HA LYS 102 HA LYS 102 6.248 -9.055 -5.071 799 1HB LYS 102 2HB LYS 102 5.827 -10.243 -7.159 800 2HB LYS 102 1HB LYS 102 6.931 -8.902 -7.430 801 1HG LYS 102 2HG LYS 102 8.329 -10.306 -8.410 802 2HG LYS 102 1HG LYS 102 8.541 -11.130 -6.864 803 1HD LYS 102 2HD LYS 102 7.402 -12.913 -7.571 804 2HD LYS 102 1HD LYS 102 6.069 -11.914 -8.150 805 1HE LYS 102 2HE LYS 102 7.132 -13.260 -9.936 806 2HE LYS 102 1HE LYS 102 7.197 -11.524 -10.238 807 1HZ LYS 102 1HZ LYS 102 9.303 -12.670 -10.719 808 2HZ LYS 102 2HZ LYS 102 9.427 -13.116 -9.092 809 3HZ LYS 102 3HZ LYS 102 9.474 -11.482 -9.527 810 HA PRO 103 HA PRO 103 7.744 -13.091 -2.976 811 1HB PRO 103 2HB PRO 103 6.538 -12.410 -0.572 812 2HB PRO 103 1HB PRO 103 8.254 -12.212 -0.941 813 1HG PRO 103 2HG PRO 103 6.047 -10.200 -1.043 814 2HG PRO 103 1HG PRO 103 7.719 -10.006 -0.484 815 1HD PRO 103 2HD PRO 103 6.942 -9.103 -2.879 816 2HD PRO 103 1HD PRO 103 8.549 -9.824 -2.646 817 H PHE 104 H PHE 104 6.350 -14.781 -2.213 818 HA PHE 104 HA PHE 104 3.742 -14.686 -3.437 819 1HB PHE 104 2HB PHE 104 5.579 -16.685 -3.015 820 2HB PHE 104 1HB PHE 104 4.364 -17.035 -1.791 821 HD1 PHE 104 1HD PHE 104 5.236 -17.258 -5.247 822 HD2 PHE 104 2HD PHE 104 1.952 -17.273 -2.539 823 HE1 PHE 104 1HE PHE 104 3.834 -18.331 -6.960 824 HE2 PHE 104 2HE PHE 104 0.544 -18.348 -4.248 825 HZ PHE 104 HZ PHE 104 1.484 -18.877 -6.461 826 H SER 105 H SER 105 4.949 -15.331 -0.144 827 HA SER 105 HA SER 105 2.253 -14.896 0.901 828 1HB SER 105 2HB SER 105 3.341 -16.874 1.742 829 2HB SER 105 1HB SER 105 4.773 -15.951 2.198 830 HG SER 105 HG SER 105 3.085 -16.491 3.871 831 H VAL 106 H VAL 106 4.610 -12.905 0.055 832 HA VAL 106 HA VAL 106 5.245 -10.803 0.605 833 HB VAL 106 HB VAL 106 3.682 -9.358 1.461 834 1HG1 VAL 106 1HG1 VAL 106 1.623 -11.424 1.024 835 2HG1 VAL 106 2HG1 VAL 106 2.788 -11.182 -0.277 836 3HG1 VAL 106 3HG1 VAL 106 1.811 -9.830 0.295 837 1HG2 VAL 106 1HG2 VAL 106 1.869 -10.989 2.987 838 2HG2 VAL 106 2HG2 VAL 106 2.756 -9.545 3.473 839 3HG2 VAL 106 3HG2 VAL 106 3.505 -11.131 3.623 840 H GLU 107 H GLU 107 5.873 -13.259 2.473 841 HA GLU 107 HA GLU 107 6.259 -12.461 5.067 842 1HB GLU 107 2HB GLU 107 6.810 -14.701 3.903 843 2HB GLU 107 1HB GLU 107 8.389 -13.986 3.607 844 1HG GLU 107 2HG GLU 107 7.995 -13.506 6.277 845 2HG GLU 107 1HG GLU 107 7.262 -15.093 6.046 846 H ARG 108 H ARG 108 8.387 -11.871 2.288 847 HA ARG 108 HA ARG 108 10.373 -10.464 3.742 848 1HB ARG 108 2HB ARG 108 10.379 -11.490 1.304 849 2HB ARG 108 1HB ARG 108 9.848 -9.875 0.857 850 1HG ARG 108 2HG ARG 108 12.152 -9.783 0.616 851 2HG ARG 108 1HG ARG 108 11.876 -9.055 2.199 852 1HD ARG 108 2HD ARG 108 12.623 -10.963 3.332 853 2HD ARG 108 1HD ARG 108 12.464 -11.981 1.902 854 HE ARG 108 HE ARG 108 14.561 -11.341 1.261 855 1HH1 ARG 108 1HH1 ARG 108 13.400 -9.099 3.671 856 2HH1 ARG 108 2HH1 ARG 108 14.915 -8.274 3.813 857 1HH2 ARG 108 1HH2 ARG 108 16.555 -10.256 1.448 858 2HH2 ARG 108 2HH2 ARG 108 16.706 -8.929 2.551 859 H PHE 109 H PHE 109 7.423 -9.543 2.090 860 HA PHE 109 HA PHE 109 7.734 -6.757 2.106 861 1HB PHE 109 2HB PHE 109 5.978 -7.637 0.779 862 2HB PHE 109 1HB PHE 109 5.319 -8.564 2.118 863 HD1 PHE 109 1HD PHE 109 6.252 -4.970 1.829 864 HD2 PHE 109 2HD PHE 109 3.171 -7.824 2.512 865 HE1 PHE 109 1HE PHE 109 4.675 -3.146 2.312 866 HE2 PHE 109 2HE PHE 109 1.588 -6.004 2.996 867 HZ PHE 109 HZ PHE 109 2.339 -3.664 2.898 868 H LEU 110 H LEU 110 6.906 -9.016 4.608 869 HA LEU 110 HA LEU 110 5.655 -7.332 6.449 870 1HB LEU 110 2HB LEU 110 6.362 -9.955 6.365 871 2HB LEU 110 1HB LEU 110 7.429 -9.331 7.609 872 HG LEU 110 HG LEU 110 4.427 -9.035 7.610 873 1HD1 LEU 110 1HD1 LEU 110 4.625 -10.626 9.556 874 2HD1 LEU 110 2HD1 LEU 110 6.265 -10.961 8.997 875 3HD1 LEU 110 3HD1 LEU 110 4.887 -11.318 7.955 876 1HD2 LEU 110 1HD2 LEU 110 6.514 -7.718 9.075 877 2HD2 LEU 110 2HD2 LEU 110 5.528 -8.689 10.170 878 3HD2 LEU 110 3HD2 LEU 110 4.770 -7.469 9.147 879 H LEU 111 H LEU 111 9.080 -8.079 5.978 880 HA LEU 111 HA LEU 111 10.147 -6.748 8.159 881 1HB LEU 111 2HB LEU 111 11.245 -7.170 5.393 882 2HB LEU 111 1HB LEU 111 12.184 -6.450 6.688 883 HG LEU 111 HG LEU 111 11.574 -8.628 7.990 884 1HD1 LEU 111 1HD1 LEU 111 10.671 -9.204 5.253 885 2HD1 LEU 111 2HD1 LEU 111 10.191 -9.929 6.786 886 3HD1 LEU 111 3HD1 LEU 111 11.679 -10.446 5.994 887 1HD2 LEU 111 1HD2 LEU 111 13.811 -8.448 7.670 888 2HD2 LEU 111 2HD2 LEU 111 13.650 -8.101 5.948 889 3HD2 LEU 111 3HD2 LEU 111 13.505 -9.760 6.531 890 H THR 112 H THR 112 9.769 -5.459 4.852 891 HA THR 112 HA THR 112 10.615 -2.879 5.308 892 HB THR 112 HB THR 112 8.408 -3.812 3.462 893 HG1 THR 112 1HG THR 112 10.138 -4.818 2.730 894 1HG2 THR 112 1HG2 THR 112 8.676 -1.880 2.181 895 2HG2 THR 112 2HG2 THR 112 10.134 -1.399 3.048 896 3HG2 THR 112 3HG2 THR 112 8.563 -1.305 3.844 897 H ILE 113 H ILE 113 7.213 -3.942 5.309 898 HA ILE 113 HA ILE 113 5.797 -1.811 5.951 899 HB ILE 113 HB ILE 113 5.620 -4.541 7.190 900 1HG1 ILE 113 2HG1 ILE 113 5.038 -4.238 4.809 901 2HG1 ILE 113 1HG1 ILE 113 3.648 -4.732 5.772 902 1HG2 ILE 113 1HG2 ILE 113 4.160 -2.104 7.998 903 2HG2 ILE 113 2HG2 ILE 113 4.537 -3.561 8.917 904 3HG2 ILE 113 3HG2 ILE 113 3.195 -3.563 7.772 905 1HD1 ILE 113 1HD1 ILE 113 3.533 -1.977 5.824 906 2HD1 ILE 113 2HD1 ILE 113 2.565 -3.051 4.813 907 3HD1 ILE 113 3HD1 ILE 113 4.055 -2.350 4.181 908 H LYS 114 H LYS 114 7.208 -3.681 8.648 909 HA LYS 114 HA LYS 114 6.729 -1.847 10.658 910 1HB LYS 114 2HB LYS 114 7.716 -4.166 10.897 911 2HB LYS 114 1HB LYS 114 9.266 -3.466 10.453 912 1HG LYS 114 2HG LYS 114 7.724 -2.284 12.712 913 2HG LYS 114 1HG LYS 114 8.621 -3.784 12.958 914 1HD LYS 114 2HD LYS 114 10.587 -2.718 12.984 915 2HD LYS 114 1HD LYS 114 10.180 -1.770 11.552 916 1HE LYS 114 2HE LYS 114 10.558 -0.311 13.455 917 2HE LYS 114 1HE LYS 114 8.869 -0.239 12.952 918 1HZ LYS 114 1HZ LYS 114 8.678 -0.441 15.213 919 2HZ LYS 114 2HZ LYS 114 10.038 -1.436 15.367 920 3HZ LYS 114 3HZ LYS 114 8.593 -2.067 14.755 921 H HIS 115 H HIS 115 9.714 -2.200 8.800 922 HA HIS 115 HA HIS 115 11.058 0.052 9.665 923 1HB HIS 115 2HB HIS 115 11.292 -1.805 7.487 924 2HB HIS 115 1HB HIS 115 11.678 -0.176 6.943 925 HD1 HIS 115 1HD HIS 115 12.589 -2.299 9.979 926 HD2 HIS 115 2HD HIS 115 14.307 0.324 7.252 927 HE1 HIS 115 1HE HIS 115 15.019 -2.166 10.612 928 HE2 HIS 115 2HE HIS 115 16.020 -0.508 9.002 929 H ALA 116 H ALA 116 8.363 -0.189 7.462 930 HA ALA 116 HA ALA 116 8.671 2.410 6.309 931 1HB ALA 116 1HB ALA 116 5.975 1.668 6.119 932 2HB ALA 116 2HB ALA 116 6.899 0.170 6.014 933 3HB ALA 116 3HB ALA 116 7.229 1.489 4.893 934 H PHE 117 H PHE 117 6.928 1.087 9.064 935 HA PHE 117 HA PHE 117 5.376 3.383 9.632 936 1HB PHE 117 2HB PHE 117 6.162 0.929 11.147 937 2HB PHE 117 1HB PHE 117 5.431 2.271 12.022 938 HD1 PHE 117 1HD PHE 117 3.122 2.884 11.656 939 HD2 PHE 117 2HD PHE 117 4.895 -0.345 9.525 940 HE1 PHE 117 1HE PHE 117 0.890 2.115 10.975 941 HE2 PHE 117 2HE PHE 117 2.669 -1.118 8.841 942 HZ PHE 117 HZ PHE 117 0.659 0.113 9.561 943 H GLU 118 H GLU 118 8.700 2.770 9.988 944 HA GLU 118 HA GLU 118 9.361 4.160 12.302 945 1HB GLU 118 2HB GLU 118 10.784 2.790 10.538 946 2HB GLU 118 1HB GLU 118 11.143 4.405 9.944 947 1HG GLU 118 2HG GLU 118 11.986 5.040 12.130 948 2HG GLU 118 1HG GLU 118 11.588 3.442 12.759 949 H GLU 119 H GLU 119 8.171 5.350 9.309 950 HA GLU 119 HA GLU 119 9.148 8.051 9.785 951 1HB GLU 119 2HB GLU 119 7.331 7.099 7.569 952 2HB GLU 119 1HB GLU 119 8.255 8.594 7.623 953 1HG GLU 119 2HG GLU 119 10.329 7.139 7.694 954 2HG GLU 119 1HG GLU 119 9.271 5.794 7.276 955 H TYR 120 H TYR 120 7.506 7.207 11.819 956 HA TYR 120 HA TYR 120 5.237 9.023 11.491 957 1HB TYR 120 2HB TYR 120 4.579 6.556 11.156 958 2HB TYR 120 1HB TYR 120 4.872 6.379 12.883 959 HD1 TYR 120 1HD TYR 120 3.351 7.310 14.501 960 HD2 TYR 120 2HD TYR 120 2.728 7.949 10.341 961 HE1 TYR 120 1HE TYR 120 1.076 8.116 14.972 962 HE2 TYR 120 2HE TYR 120 0.453 8.758 10.801 963 HH TYR 120 HH TYR 120 -1.252 8.586 12.518 964 H SER 121 H SER 121 7.938 8.766 12.977 965 HA SER 121 HA SER 121 6.913 9.265 15.690 966 1HB SER 121 2HB SER 121 9.392 8.014 14.651 967 2HB SER 121 1HB SER 121 9.581 9.043 16.070 968 HG SER 121 HG SER 121 8.974 6.643 16.253 Start of MODEL 19 1 1H MET 1 1HT MET 1 1.914 3.828 14.124 2 2H MET 1 2HT MET 1 1.326 3.098 15.562 3 3H MET 1 3HT MET 1 1.639 4.786 15.519 4 HA MET 1 HA MET 1 -0.618 4.640 15.349 5 1HB MET 1 2HB MET 1 0.732 4.885 12.667 6 2HB MET 1 1HB MET 1 -0.994 5.159 12.855 7 1HG MET 1 2HG MET 1 -0.708 7.133 13.905 8 2HG MET 1 1HG MET 1 0.766 6.613 14.719 9 1HE MET 1 1HE MET 1 -0.060 9.213 13.649 10 2HE MET 1 2HE MET 1 0.458 9.716 12.040 11 3HE MET 1 3HE MET 1 1.605 9.728 13.379 12 H LYS 2 H LYS 2 0.965 2.216 13.351 13 HA LYS 2 HA LYS 2 0.316 0.165 12.627 14 1HB LYS 2 2HB LYS 2 -1.919 0.500 14.633 15 2HB LYS 2 1HB LYS 2 -1.450 -1.010 13.864 16 1HG LYS 2 2HG LYS 2 0.349 0.626 15.637 17 2HG LYS 2 1HG LYS 2 -0.609 -0.752 16.178 18 1HD LYS 2 2HD LYS 2 0.746 -2.266 15.163 19 2HD LYS 2 1HD LYS 2 1.125 -1.185 13.820 20 1HE LYS 2 2HE LYS 2 2.812 -0.116 14.985 21 2HE LYS 2 1HE LYS 2 2.151 -0.565 16.557 22 1HZ LYS 2 1HZ LYS 2 2.783 -2.888 16.041 23 2HZ LYS 2 2HZ LYS 2 4.107 -1.844 16.158 24 3HZ LYS 2 3HZ LYS 2 3.554 -2.343 14.639 25 H ARG 3 H ARG 3 -1.843 -1.051 11.847 26 HA ARG 3 HA ARG 3 -3.595 -1.156 10.408 27 1HB ARG 3 2HB ARG 3 -3.830 1.835 10.684 28 2HB ARG 3 1HB ARG 3 -5.047 0.725 10.075 29 1HG ARG 3 2HG ARG 3 -5.876 0.842 12.145 30 2HG ARG 3 1HG ARG 3 -4.592 -0.301 12.542 31 1HD ARG 3 2HD ARG 3 -3.406 1.230 13.683 32 2HD ARG 3 1HD ARG 3 -3.799 2.526 12.556 33 HE ARG 3 HE ARG 3 -5.967 1.666 14.273 34 1HH1 ARG 3 1HH1 ARG 3 -3.331 3.913 13.818 35 2HH1 ARG 3 2HH1 ARG 3 -3.987 5.091 14.904 36 1HH2 ARG 3 1HH2 ARG 3 -6.825 3.216 15.698 37 2HH2 ARG 3 2HH2 ARG 3 -5.968 4.696 15.971 38 H VAL 4 H VAL 4 -3.002 -1.684 8.427 39 HA VAL 4 HA VAL 4 -1.649 0.348 6.770 40 HB VAL 4 HB VAL 4 -1.325 -2.653 6.557 41 1HG1 VAL 4 1HG1 VAL 4 -0.257 -0.333 5.010 42 2HG1 VAL 4 2HG1 VAL 4 -0.893 -1.871 4.429 43 3HG1 VAL 4 3HG1 VAL 4 0.708 -1.800 5.166 44 1HG2 VAL 4 1HG2 VAL 4 0.666 -0.633 7.589 45 2HG2 VAL 4 2HG2 VAL 4 0.867 -2.383 7.509 46 3HG2 VAL 4 3HG2 VAL 4 -0.313 -1.681 8.615 47 H LEU 5 H LEU 5 -2.096 0.198 4.440 48 HA LEU 5 HA LEU 5 -4.819 -0.819 3.958 49 1HB LEU 5 2HB LEU 5 -4.603 1.624 3.850 50 2HB LEU 5 1HB LEU 5 -3.379 1.462 2.606 51 HG LEU 5 HG LEU 5 -5.060 0.430 1.113 52 1HD1 LEU 5 1HD1 LEU 5 -7.499 0.973 1.971 53 2HD1 LEU 5 2HD1 LEU 5 -6.738 0.728 3.543 54 3HD1 LEU 5 3HD1 LEU 5 -6.707 -0.559 2.339 55 1HD2 LEU 5 1HD2 LEU 5 -6.378 2.939 1.930 56 2HD2 LEU 5 2HD2 LEU 5 -5.750 2.442 0.358 57 3HD2 LEU 5 3HD2 LEU 5 -4.649 3.043 1.597 58 H VAL 6 H VAL 6 -5.108 -2.341 2.466 59 HA VAL 6 HA VAL 6 -2.887 -2.887 0.603 60 HB VAL 6 HB VAL 6 -4.962 -4.868 1.543 61 1HG1 VAL 6 1HG1 VAL 6 -4.138 -5.602 -0.523 62 2HG1 VAL 6 2HG1 VAL 6 -3.171 -6.474 0.668 63 3HG1 VAL 6 3HG1 VAL 6 -2.497 -5.070 -0.158 64 1HG2 VAL 6 1HG2 VAL 6 -3.459 -5.706 3.121 65 2HG2 VAL 6 2HG2 VAL 6 -3.334 -3.956 3.306 66 3HG2 VAL 6 3HG2 VAL 6 -2.093 -4.841 2.416 67 H VAL 7 H VAL 7 -3.599 -1.591 -1.096 68 HA VAL 7 HA VAL 7 -6.293 -1.905 -2.127 69 HB VAL 7 HB VAL 7 -3.996 -0.355 -3.339 70 1HG1 VAL 7 1HG1 VAL 7 -6.961 -0.372 -3.830 71 2HG1 VAL 7 2HG1 VAL 7 -5.659 -0.674 -4.980 72 3HG1 VAL 7 3HG1 VAL 7 -5.915 0.951 -4.345 73 1HG2 VAL 7 1HG2 VAL 7 -6.172 0.656 -1.513 74 2HG2 VAL 7 2HG2 VAL 7 -4.883 1.610 -2.246 75 3HG2 VAL 7 3HG2 VAL 7 -4.495 0.385 -1.038 76 H ASP 8 H ASP 8 -6.818 -3.538 -3.435 77 HA ASP 8 HA ASP 8 -5.089 -4.272 -5.631 78 1HB ASP 8 2HB ASP 8 -4.160 -5.645 -3.826 79 2HB ASP 8 1HB ASP 8 -5.759 -6.293 -3.478 80 H ASP 9 H ASP 9 -6.164 -5.377 -7.282 81 HA ASP 9 HA ASP 9 -8.996 -5.004 -7.320 82 1HB ASP 9 2HB ASP 9 -7.645 -4.732 -9.341 83 2HB ASP 9 1HB ASP 9 -7.193 -6.433 -9.283 84 H GLU 10 H GLU 10 -7.262 -8.011 -8.116 85 HA GLU 10 HA GLU 10 -9.510 -9.545 -7.096 86 1HB GLU 10 2HB GLU 10 -8.132 -9.961 -9.288 87 2HB GLU 10 1HB GLU 10 -7.022 -10.788 -8.204 88 1HG GLU 10 2HG GLU 10 -9.744 -11.612 -7.730 89 2HG GLU 10 1HG GLU 10 -9.289 -11.838 -9.419 90 H GLU 11 H GLU 11 -8.879 -11.648 -5.911 91 HA GLU 11 HA GLU 11 -7.447 -10.852 -3.523 92 1HB GLU 11 2HB GLU 11 -9.675 -12.322 -3.860 93 2HB GLU 11 1HB GLU 11 -8.486 -13.616 -3.798 94 1HG GLU 11 2HG GLU 11 -8.171 -13.382 -1.603 95 2HG GLU 11 1HG GLU 11 -8.149 -11.621 -1.697 96 H SER 12 H SER 12 -5.481 -10.790 -5.117 97 HA SER 12 HA SER 12 -4.243 -13.395 -5.484 98 1HB SER 12 2HB SER 12 -3.139 -10.655 -6.144 99 2HB SER 12 1HB SER 12 -2.515 -12.206 -6.704 100 HG SER 12 HG SER 12 -4.514 -12.505 -7.801 101 H ILE 13 H ILE 13 -3.076 -10.305 -4.132 102 HA ILE 13 HA ILE 13 -1.180 -11.715 -2.462 103 HB ILE 13 HB ILE 13 -1.773 -8.756 -2.540 104 1HG1 ILE 13 2HG1 ILE 13 -1.092 -9.638 -4.753 105 2HG1 ILE 13 1HG1 ILE 13 0.113 -8.555 -4.065 106 1HG2 ILE 13 1HG2 ILE 13 0.142 -10.439 -1.078 107 2HG2 ILE 13 2HG2 ILE 13 -0.504 -8.844 -0.687 108 3HG2 ILE 13 3HG2 ILE 13 0.827 -8.999 -1.833 109 1HD1 ILE 13 1HD1 ILE 13 0.718 -11.214 -3.260 110 2HD1 ILE 13 2HD1 ILE 13 1.656 -10.119 -4.275 111 3HD1 ILE 13 3HD1 ILE 13 0.457 -11.188 -5.004 112 H THR 14 H THR 14 -4.061 -9.701 -2.004 113 HA THR 14 HA THR 14 -4.135 -9.411 0.707 114 HB THR 14 HB THR 14 -6.666 -9.554 0.467 115 HG1 THR 14 1HG THR 14 -6.028 -9.858 -2.275 116 1HG2 THR 14 1HG2 THR 14 -5.945 -7.388 0.246 117 2HG2 THR 14 2HG2 THR 14 -6.713 -7.668 -1.317 118 3HG2 THR 14 3HG2 THR 14 -4.957 -7.746 -1.170 119 H SER 15 H SER 15 -4.887 -12.319 -1.125 120 HA SER 15 HA SER 15 -6.042 -13.787 0.991 121 1HB SER 15 2HB SER 15 -5.337 -15.788 -0.468 122 2HB SER 15 1HB SER 15 -6.456 -14.622 -1.171 123 HG SER 15 HG SER 15 -3.669 -14.847 -1.626 124 H SER 16 H SER 16 -2.719 -13.268 -0.004 125 HA SER 16 HA SER 16 -1.795 -15.146 2.053 126 1HB SER 16 2HB SER 16 -0.803 -15.497 -0.133 127 2HB SER 16 1HB SER 16 -0.308 -13.807 -0.216 128 HG SER 16 HG SER 16 1.101 -14.181 1.507 129 H LEU 17 H LEU 17 -0.880 -11.919 0.834 130 HA LEU 17 HA LEU 17 0.750 -11.089 2.865 131 1HB LEU 17 2HB LEU 17 0.565 -9.680 0.999 132 2HB LEU 17 1HB LEU 17 -1.180 -9.593 1.120 133 HG LEU 17 HG LEU 17 0.223 -7.519 1.767 134 1HD1 LEU 17 1HD1 LEU 17 -1.557 -6.748 2.937 135 2HD1 LEU 17 2HD1 LEU 17 -1.654 -8.183 3.957 136 3HD1 LEU 17 3HD1 LEU 17 -2.280 -8.229 2.309 137 1HD2 LEU 17 1HD2 LEU 17 1.290 -7.442 3.792 138 2HD2 LEU 17 2HD2 LEU 17 1.605 -9.118 3.342 139 3HD2 LEU 17 3HD2 LEU 17 0.315 -8.738 4.478 140 H SER 18 H SER 18 -2.767 -10.448 2.738 141 HA SER 18 HA SER 18 -3.141 -9.158 5.082 142 1HB SER 18 2HB SER 18 -4.927 -9.880 3.429 143 2HB SER 18 1HB SER 18 -4.948 -11.439 4.254 144 HG SER 18 HG SER 18 -5.376 -10.177 6.211 145 H ALA 19 H ALA 19 -3.116 -12.724 4.813 146 HA ALA 19 HA ALA 19 -3.389 -13.362 7.487 147 1HB ALA 19 1HB ALA 19 -3.426 -15.238 6.193 148 2HB ALA 19 2HB ALA 19 -1.758 -15.326 6.757 149 3HB ALA 19 3HB ALA 19 -2.113 -14.681 5.156 150 H ILE 20 H ILE 20 -0.557 -12.332 5.713 151 HA ILE 20 HA ILE 20 1.331 -12.785 7.801 152 HB ILE 20 HB ILE 20 1.478 -11.079 5.316 153 1HG1 ILE 20 2HG1 ILE 20 3.119 -13.512 5.723 154 2HG1 ILE 20 1HG1 ILE 20 1.403 -13.733 5.392 155 1HG2 ILE 20 1HG2 ILE 20 3.485 -11.572 7.474 156 2HG2 ILE 20 2HG2 ILE 20 3.045 -10.060 6.680 157 3HG2 ILE 20 3HG2 ILE 20 4.004 -11.262 5.816 158 1HD1 ILE 20 1HD1 ILE 20 3.493 -13.216 3.567 159 2HD1 ILE 20 2HD1 ILE 20 2.422 -11.815 3.571 160 3HD1 ILE 20 3HD1 ILE 20 1.772 -13.419 3.238 161 H LEU 21 H LEU 21 0.440 -9.671 6.330 162 HA LEU 21 HA LEU 21 1.406 -8.055 8.348 163 1HB LEU 21 2HB LEU 21 0.782 -6.458 6.944 164 2HB LEU 21 1HB LEU 21 0.182 -7.721 5.909 165 HG LEU 21 HG LEU 21 -1.447 -5.967 6.166 166 1HD1 LEU 21 1HD1 LEU 21 -1.826 -8.693 6.507 167 2HD1 LEU 21 2HD1 LEU 21 -3.042 -7.502 6.046 168 3HD1 LEU 21 3HD1 LEU 21 -2.840 -7.943 7.740 169 1HD2 LEU 21 1HD2 LEU 21 -2.110 -6.505 8.937 170 2HD2 LEU 21 2HD2 LEU 21 -1.871 -4.966 8.110 171 3HD2 LEU 21 3HD2 LEU 21 -0.485 -5.845 8.753 172 H GLU 22 H GLU 22 -1.567 -9.854 8.224 173 HA GLU 22 HA GLU 22 -2.752 -8.471 10.441 174 1HB GLU 22 2HB GLU 22 -3.918 -9.760 8.512 175 2HB GLU 22 1HB GLU 22 -3.614 -11.178 9.509 176 1HG GLU 22 2HG GLU 22 -4.706 -9.218 11.191 177 2HG GLU 22 1HG GLU 22 -5.667 -9.216 9.715 178 H GLU 23 H GLU 23 -0.586 -11.126 9.976 179 HA GLU 23 HA GLU 23 -1.042 -12.320 12.549 180 1HB GLU 23 2HB GLU 23 -0.279 -13.804 10.869 181 2HB GLU 23 1HB GLU 23 1.007 -12.712 10.373 182 1HG GLU 23 2HG GLU 23 2.431 -13.530 11.870 183 2HG GLU 23 1HG GLU 23 1.220 -13.542 13.152 184 H GLU 24 H GLU 24 1.274 -10.095 11.089 185 HA GLU 24 HA GLU 24 3.140 -9.945 13.136 186 1HB GLU 24 2HB GLU 24 2.526 -8.491 10.775 187 2HB GLU 24 1HB GLU 24 2.812 -7.341 12.074 188 1HG GLU 24 2HG GLU 24 4.688 -9.566 11.322 189 2HG GLU 24 1HG GLU 24 4.830 -7.900 10.763 190 H GLY 25 H GLY 25 0.122 -8.146 12.721 191 1HA GLY 25 2HA GLY 25 -1.097 -7.805 14.881 192 2HA GLY 25 1HA GLY 25 0.424 -7.160 15.472 193 H TYR 26 H TYR 26 -1.688 -6.687 12.643 194 HA TYR 26 HA TYR 26 -1.603 -3.795 13.173 195 1HB TYR 26 2HB TYR 26 -1.258 -5.155 10.500 196 2HB TYR 26 1HB TYR 26 -1.495 -3.426 10.703 197 HD1 TYR 26 1HD TYR 26 0.902 -5.864 10.171 198 HD2 TYR 26 2HD TYR 26 0.226 -2.371 12.501 199 HE1 TYR 26 1HE TYR 26 3.328 -5.570 10.419 200 HE2 TYR 26 2HE TYR 26 2.651 -2.064 12.754 201 HH TYR 26 HH TYR 26 4.732 -2.726 11.525 202 H HIS 27 H HIS 27 -3.212 -2.860 11.239 203 HA HIS 27 HA HIS 27 -5.713 -4.394 11.420 204 1HB HIS 27 2HB HIS 27 -5.257 -2.184 12.958 205 2HB HIS 27 1HB HIS 27 -6.005 -1.461 11.538 206 HD1 HIS 27 1HD HIS 27 -8.239 -0.903 12.586 207 HD2 HIS 27 2HD HIS 27 -7.196 -4.902 13.017 208 HE1 HIS 27 1HE HIS 27 -10.296 -2.042 13.477 209 HE2 HIS 27 2HE HIS 27 -9.666 -4.475 13.655 210 HA PRO 28 HA PRO 28 -4.836 -3.218 7.036 211 1HB PRO 28 2HB PRO 28 -6.314 -5.709 6.537 212 2HB PRO 28 1HB PRO 28 -4.723 -5.212 5.959 213 1HG PRO 28 2HG PRO 28 -5.013 -7.127 7.818 214 2HG PRO 28 1HG PRO 28 -3.650 -6.002 7.829 215 1HD PRO 28 2HD PRO 28 -6.127 -5.981 9.506 216 2HD PRO 28 1HD PRO 28 -4.449 -5.623 9.967 217 H ASP 29 H ASP 29 -6.191 -2.238 5.623 218 HA ASP 29 HA ASP 29 -9.046 -2.395 6.238 219 1HB ASP 29 2HB ASP 29 -7.838 -0.180 6.716 220 2HB ASP 29 1HB ASP 29 -7.842 0.022 4.967 221 H THR 30 H THR 30 -6.785 -3.020 3.983 222 HA THR 30 HA THR 30 -6.752 -3.464 1.764 223 HB THR 30 HB THR 30 -8.615 -4.985 1.075 224 HG1 THR 30 1HG THR 30 -10.181 -3.913 2.487 225 1HG2 THR 30 1HG2 THR 30 -7.161 -6.419 1.958 226 2HG2 THR 30 2HG2 THR 30 -8.236 -6.434 3.356 227 3HG2 THR 30 3HG2 THR 30 -6.826 -5.375 3.338 228 H ALA 31 H ALA 31 -8.125 -3.546 -0.308 229 HA ALA 31 HA ALA 31 -10.193 -1.621 -0.646 230 1HB ALA 31 1HB ALA 31 -8.898 0.187 -0.852 231 2HB ALA 31 2HB ALA 31 -8.375 -0.500 -2.390 232 3HB ALA 31 3HB ALA 31 -7.424 -0.778 -0.931 233 H LYS 32 H LYS 32 -10.477 -1.256 -3.155 234 HA LYS 32 HA LYS 32 -9.989 -3.864 -4.435 235 1HB LYS 32 2HB LYS 32 -12.181 -1.969 -5.241 236 2HB LYS 32 1HB LYS 32 -12.049 -3.692 -5.563 237 1HG LYS 32 2HG LYS 32 -12.445 -4.180 -3.216 238 2HG LYS 32 1HG LYS 32 -12.530 -2.454 -2.862 239 1HD LYS 32 2HD LYS 32 -14.745 -2.754 -3.137 240 2HD LYS 32 1HD LYS 32 -14.353 -2.653 -4.854 241 1HE LYS 32 2HE LYS 32 -15.275 -4.670 -5.073 242 2HE LYS 32 1HE LYS 32 -13.886 -5.309 -4.198 243 1HZ LYS 32 1HZ LYS 32 -16.557 -4.614 -3.145 244 2HZ LYS 32 2HZ LYS 32 -15.219 -4.763 -2.120 245 3HZ LYS 32 3HZ LYS 32 -15.733 -6.087 -3.038 246 H THR 33 H THR 33 -9.684 -0.425 -4.744 247 HA THR 33 HA THR 33 -7.795 -0.653 -6.842 248 HB THR 33 HB THR 33 -9.383 0.941 -8.319 249 HG1 THR 33 1HG THR 33 -11.479 0.129 -8.279 250 1HG2 THR 33 1HG2 THR 33 -8.522 -1.746 -8.496 251 2HG2 THR 33 2HG2 THR 33 -8.999 -0.651 -9.794 252 3HG2 THR 33 3HG2 THR 33 -10.205 -1.677 -9.017 253 H LEU 34 H LEU 34 -7.551 1.748 -7.854 254 HA LEU 34 HA LEU 34 -6.682 3.349 -5.722 255 1HB LEU 34 2HB LEU 34 -7.236 4.107 -8.591 256 2HB LEU 34 1HB LEU 34 -6.360 5.103 -7.443 257 HG LEU 34 HG LEU 34 -5.491 2.367 -8.375 258 1HD1 LEU 34 1HD1 LEU 34 -4.194 3.316 -9.958 259 2HD1 LEU 34 2HD1 LEU 34 -3.920 4.780 -9.014 260 3HD1 LEU 34 3HD1 LEU 34 -5.431 4.571 -9.898 261 1HD2 LEU 34 1HD2 LEU 34 -4.767 2.908 -6.097 262 2HD2 LEU 34 2HD2 LEU 34 -4.066 4.417 -6.683 263 3HD2 LEU 34 3HD2 LEU 34 -3.410 2.872 -7.222 264 H ARG 35 H ARG 35 -9.640 3.417 -7.645 265 HA ARG 35 HA ARG 35 -10.672 5.839 -6.638 266 1HB ARG 35 2HB ARG 35 -11.604 3.650 -8.283 267 2HB ARG 35 1HB ARG 35 -12.860 4.148 -7.157 268 1HG ARG 35 2HG ARG 35 -13.042 6.247 -8.074 269 2HG ARG 35 1HG ARG 35 -11.405 6.219 -8.732 270 1HD ARG 35 2HD ARG 35 -12.413 5.778 -10.685 271 2HD ARG 35 1HD ARG 35 -12.570 4.139 -10.054 272 HE ARG 35 HE ARG 35 -14.672 6.091 -10.394 273 1HH1 ARG 35 1HH1 ARG 35 -13.700 3.126 -8.825 274 2HH1 ARG 35 2HH1 ARG 35 -15.324 2.592 -8.556 275 1HH2 ARG 35 1HH2 ARG 35 -16.807 5.387 -10.037 276 2HH2 ARG 35 2HH2 ARG 35 -17.087 3.874 -9.243 277 H GLU 36 H GLU 36 -11.213 2.467 -5.661 278 HA GLU 36 HA GLU 36 -12.865 3.063 -3.447 279 1HB GLU 36 2HB GLU 36 -12.066 0.767 -4.748 280 2HB GLU 36 1HB GLU 36 -11.246 0.630 -3.199 281 1HG GLU 36 2HG GLU 36 -14.198 0.938 -3.671 282 2HG GLU 36 1HG GLU 36 -13.352 -0.485 -3.066 283 H ALA 37 H ALA 37 -9.402 2.837 -3.894 284 HA ALA 37 HA ALA 37 -8.770 2.894 -1.098 285 1HB ALA 37 1HB ALA 37 -6.482 3.052 -1.781 286 2HB ALA 37 2HB ALA 37 -6.948 3.541 -3.410 287 3HB ALA 37 3HB ALA 37 -7.289 1.904 -2.847 288 H GLU 38 H GLU 38 -9.587 5.260 -3.455 289 HA GLU 38 HA GLU 38 -8.268 7.452 -2.146 290 1HB GLU 38 2HB GLU 38 -10.195 7.187 -4.413 291 2HB GLU 38 1HB GLU 38 -9.957 8.759 -3.662 292 1HG GLU 38 2HG GLU 38 -7.393 7.972 -4.061 293 2HG GLU 38 1HG GLU 38 -8.205 7.230 -5.439 294 H LYS 39 H LYS 39 -11.476 6.028 -2.210 295 HA LYS 39 HA LYS 39 -12.734 8.027 -0.625 296 1HB LYS 39 2HB LYS 39 -14.071 6.538 -1.998 297 2HB LYS 39 1HB LYS 39 -13.455 5.133 -1.139 298 1HG LYS 39 2HG LYS 39 -14.845 7.221 0.445 299 2HG LYS 39 1HG LYS 39 -15.818 6.185 -0.602 300 1HD LYS 39 2HD LYS 39 -14.565 4.233 0.493 301 2HD LYS 39 1HD LYS 39 -14.068 5.409 1.712 302 1HE LYS 39 2HE LYS 39 -16.006 4.382 2.574 303 2HE LYS 39 1HE LYS 39 -16.527 5.959 1.983 304 1HZ LYS 39 1HZ LYS 39 -16.793 3.427 0.455 305 2HZ LYS 39 2HZ LYS 39 -17.405 4.941 0.017 306 3HZ LYS 39 3HZ LYS 39 -18.035 4.130 1.362 307 H LYS 40 H LYS 40 -11.083 4.991 0.052 308 HA LYS 40 HA LYS 40 -11.653 4.969 2.844 309 1HB LYS 40 2HB LYS 40 -9.449 3.577 1.313 310 2HB LYS 40 1HB LYS 40 -9.935 3.216 2.964 311 1HG LYS 40 2HG LYS 40 -12.046 3.100 0.898 312 2HG LYS 40 1HG LYS 40 -10.811 1.841 0.860 313 1HD LYS 40 2HD LYS 40 -11.451 1.995 3.532 314 2HD LYS 40 1HD LYS 40 -13.005 2.259 2.738 315 1HE LYS 40 2HE LYS 40 -11.380 0.076 1.625 316 2HE LYS 40 1HE LYS 40 -11.949 -0.179 3.275 317 1HZ LYS 40 1HZ LYS 40 -13.527 -1.041 1.678 318 2HZ LYS 40 2HZ LYS 40 -13.649 0.469 0.926 319 3HZ LYS 40 3HZ LYS 40 -14.209 0.266 2.510 320 H ILE 41 H ILE 41 -9.034 6.241 0.863 321 HA ILE 41 HA ILE 41 -7.479 7.014 3.189 322 HB ILE 41 HB ILE 41 -7.024 7.600 0.263 323 1HG1 ILE 41 2HG1 ILE 41 -5.440 5.673 1.935 324 2HG1 ILE 41 1HG1 ILE 41 -6.943 5.162 1.176 325 1HG2 ILE 41 1HG2 ILE 41 -5.263 8.029 2.669 326 2HG2 ILE 41 2HG2 ILE 41 -5.912 9.258 1.583 327 3HG2 ILE 41 3HG2 ILE 41 -4.701 8.116 1.000 328 1HD1 ILE 41 1HD1 ILE 41 -5.858 4.786 -0.707 329 2HD1 ILE 41 2HD1 ILE 41 -4.356 5.313 0.051 330 3HD1 ILE 41 3HD1 ILE 41 -5.379 6.482 -0.782 331 H LYS 42 H LYS 42 -9.959 8.353 1.254 332 HA LYS 42 HA LYS 42 -9.357 11.071 1.303 333 1HB LYS 42 2HB LYS 42 -11.700 9.427 0.826 334 2HB LYS 42 1HB LYS 42 -12.100 10.973 1.561 335 1HG LYS 42 2HG LYS 42 -10.876 12.123 -0.229 336 2HG LYS 42 1HG LYS 42 -10.534 10.562 -0.976 337 1HD LYS 42 2HD LYS 42 -12.783 10.199 -1.517 338 2HD LYS 42 1HD LYS 42 -13.345 11.427 -0.382 339 1HE LYS 42 2HE LYS 42 -12.044 13.083 -1.862 340 2HE LYS 42 1HE LYS 42 -12.044 11.789 -3.059 341 1HZ LYS 42 1HZ LYS 42 -14.613 11.830 -2.378 342 2HZ LYS 42 2HZ LYS 42 -13.977 12.747 -3.648 343 3HZ LYS 42 3HZ LYS 42 -14.231 13.460 -2.136 344 H GLU 43 H GLU 43 -10.225 8.985 3.885 345 HA GLU 43 HA GLU 43 -10.397 11.310 5.661 346 1HB GLU 43 2HB GLU 43 -12.177 8.874 5.831 347 2HB GLU 43 1HB GLU 43 -12.159 10.215 6.969 348 1HG GLU 43 2HG GLU 43 -12.740 11.694 4.980 349 2HG GLU 43 1HG GLU 43 -13.095 10.196 4.122 350 H LEU 44 H LEU 44 -10.159 7.756 5.631 351 HA LEU 44 HA LEU 44 -8.968 7.467 8.138 352 1HB LEU 44 2HB LEU 44 -9.696 5.795 6.017 353 2HB LEU 44 1HB LEU 44 -7.982 5.512 6.247 354 HG LEU 44 HG LEU 44 -9.314 3.921 7.520 355 1HD1 LEU 44 1HD1 LEU 44 -8.093 4.020 9.484 356 2HD1 LEU 44 2HD1 LEU 44 -8.149 5.781 9.549 357 3HD1 LEU 44 3HD1 LEU 44 -7.114 4.975 8.371 358 1HD2 LEU 44 1HD2 LEU 44 -10.976 4.469 8.988 359 2HD2 LEU 44 2HD2 LEU 44 -11.156 5.781 7.823 360 3HD2 LEU 44 3HD2 LEU 44 -10.296 6.058 9.337 361 H PHE 45 H PHE 45 -7.091 8.192 8.860 362 HA PHE 45 HA PHE 45 -5.063 9.185 7.101 363 1HB PHE 45 2HB PHE 45 -5.688 9.988 9.496 364 2HB PHE 45 1HB PHE 45 -4.637 8.682 10.034 365 HD1 PHE 45 1HD PHE 45 -4.735 11.785 8.019 366 HD2 PHE 45 2HD PHE 45 -2.305 8.929 10.032 367 HE1 PHE 45 1HE PHE 45 -2.779 13.248 7.725 368 HE2 PHE 45 2HE PHE 45 -0.345 10.387 9.742 369 HZ PHE 45 HZ PHE 45 -0.579 12.550 8.587 370 H PHE 46 H PHE 46 -5.057 6.923 6.055 371 HA PHE 46 HA PHE 46 -3.881 4.711 7.251 372 1HB PHE 46 2HB PHE 46 -4.042 5.668 4.412 373 2HB PHE 46 1HB PHE 46 -3.123 4.219 4.810 374 HD1 PHE 46 1HD PHE 46 -6.192 5.347 3.717 375 HD2 PHE 46 2HD PHE 46 -4.485 2.574 6.455 376 HE1 PHE 46 1HE PHE 46 -8.265 4.023 3.660 377 HE2 PHE 46 2HE PHE 46 -6.554 1.245 6.404 378 HZ PHE 46 HZ PHE 46 -8.447 1.971 5.006 379 HA PRO 47 HA PRO 47 0.251 6.435 7.778 380 1HB PRO 47 2HB PRO 47 1.240 4.393 9.248 381 2HB PRO 47 1HB PRO 47 0.167 5.620 9.932 382 1HG PRO 47 2HG PRO 47 -0.475 2.848 9.002 383 2HG PRO 47 1HG PRO 47 -1.039 3.703 10.448 384 1HD PRO 47 2HD PRO 47 -2.531 3.455 8.185 385 2HD PRO 47 1HD PRO 47 -2.673 4.830 9.296 386 H VAL 48 H VAL 48 -0.604 3.264 6.574 387 HA VAL 48 HA VAL 48 1.727 3.328 4.811 388 HB VAL 48 HB VAL 48 0.886 0.774 6.153 389 1HG1 VAL 48 1HG1 VAL 48 3.057 1.641 4.332 390 2HG1 VAL 48 2HG1 VAL 48 2.182 0.111 4.407 391 3HG1 VAL 48 3HG1 VAL 48 3.464 0.453 5.569 392 1HG2 VAL 48 1HG2 VAL 48 1.539 2.364 7.879 393 2HG2 VAL 48 2HG2 VAL 48 3.052 2.673 7.027 394 3HG2 VAL 48 3HG2 VAL 48 2.734 1.078 7.709 395 H ILE 49 H ILE 49 1.213 2.920 2.778 396 HA ILE 49 HA ILE 49 -1.380 1.659 2.195 397 HB ILE 49 HB ILE 49 0.137 3.411 0.276 398 1HG1 ILE 49 2HG1 ILE 49 -0.304 4.672 2.380 399 2HG1 ILE 49 1HG1 ILE 49 -1.172 5.317 0.991 400 1HG2 ILE 49 1HG2 ILE 49 -2.494 2.093 0.365 401 2HG2 ILE 49 2HG2 ILE 49 -1.468 2.496 -1.012 402 3HG2 ILE 49 3HG2 ILE 49 -2.481 3.737 -0.273 403 1HD1 ILE 49 1HD1 ILE 49 -2.458 5.181 3.146 404 2HD1 ILE 49 2HD1 ILE 49 -2.426 3.429 2.958 405 3HD1 ILE 49 3HD1 ILE 49 -3.222 4.431 1.745 406 H VAL 50 H VAL 50 -1.501 0.111 0.567 407 HA VAL 50 HA VAL 50 1.010 -0.789 -0.637 408 HB VAL 50 HB VAL 50 -0.888 -2.595 0.872 409 1HG1 VAL 50 1HG1 VAL 50 1.421 -3.207 -0.952 410 2HG1 VAL 50 2HG1 VAL 50 -0.222 -3.847 -1.003 411 3HG1 VAL 50 3HG1 VAL 50 0.879 -4.341 0.284 412 1HG2 VAL 50 1HG2 VAL 50 1.531 -3.078 1.913 413 2HG2 VAL 50 2HG2 VAL 50 0.436 -1.849 2.547 414 3HG2 VAL 50 3HG2 VAL 50 1.743 -1.387 1.457 415 H LEU 51 H LEU 51 0.457 -0.264 -2.663 416 HA LEU 51 HA LEU 51 -2.144 -0.785 -3.748 417 1HB LEU 51 2HB LEU 51 -0.666 1.115 -4.439 418 2HB LEU 51 1HB LEU 51 0.380 -0.052 -5.224 419 HG LEU 51 HG LEU 51 -1.402 -0.665 -6.766 420 1HD1 LEU 51 1HD1 LEU 51 -3.516 0.567 -6.790 421 2HD1 LEU 51 2HD1 LEU 51 -3.044 1.404 -5.311 422 3HD1 LEU 51 3HD1 LEU 51 -3.310 -0.340 -5.292 423 1HD2 LEU 51 1HD2 LEU 51 0.056 1.625 -6.829 424 2HD2 LEU 51 2HD2 LEU 51 -1.583 2.251 -6.999 425 3HD2 LEU 51 3HD2 LEU 51 -0.974 1.055 -8.141 426 H ASP 52 H ASP 52 -2.375 -2.001 -5.817 427 HA ASP 52 HA ASP 52 -0.565 -4.199 -6.276 428 1HB ASP 52 2HB ASP 52 -2.447 -4.666 -4.368 429 2HB ASP 52 1HB ASP 52 -3.318 -5.164 -5.814 430 H VAL 53 H VAL 53 -0.397 -3.450 -8.357 431 HA VAL 53 HA VAL 53 -2.691 -2.870 -9.976 432 HB VAL 53 HB VAL 53 -1.138 -2.421 -11.748 433 1HG1 VAL 53 1HG1 VAL 53 -0.178 -0.604 -10.818 434 2HG1 VAL 53 2HG1 VAL 53 0.570 -1.530 -9.516 435 3HG1 VAL 53 3HG1 VAL 53 -1.136 -1.088 -9.418 436 1HG2 VAL 53 1HG2 VAL 53 0.678 -3.658 -12.087 437 2HG2 VAL 53 2HG2 VAL 53 0.400 -4.489 -10.557 438 3HG2 VAL 53 3HG2 VAL 53 1.394 -3.033 -10.601 439 H TRP 54 H TRP 54 -3.408 -5.256 -9.199 440 HA TRP 54 HA TRP 54 -2.358 -7.467 -10.580 441 1HB TRP 54 2HB TRP 54 -3.784 -7.763 -8.640 442 2HB TRP 54 1HB TRP 54 -5.137 -7.007 -9.472 443 HD1 TRP 54 HD TRP 54 -6.840 -8.744 -10.241 444 HE1 TRP 54 1HE TRP 54 -6.760 -11.176 -11.078 445 HE3 TRP 54 3HE TRP 54 -1.791 -9.513 -10.019 446 HZ2 TRP 54 2HZ TRP 54 -4.813 -13.158 -11.579 447 HZ3 TRP 54 3HZ TRP 54 -0.900 -11.705 -10.694 448 HH2 TRP 54 HH TRP 54 -2.382 -13.489 -11.457 449 H MET 55 H MET 55 -5.714 -6.665 -11.241 450 HA MET 55 HA MET 55 -5.217 -7.067 -14.073 451 1HB MET 55 2HB MET 55 -7.566 -7.203 -12.283 452 2HB MET 55 1HB MET 55 -7.883 -6.683 -13.932 453 1HG MET 55 2HG MET 55 -6.175 -8.932 -14.064 454 2HG MET 55 1HG MET 55 -7.470 -9.310 -12.929 455 1HE MET 55 1HE MET 55 -9.750 -7.325 -14.262 456 2HE MET 55 2HE MET 55 -10.074 -8.909 -13.559 457 3HE MET 55 3HE MET 55 -10.632 -8.536 -15.190 458 HA PRO 56 HA PRO 56 -6.910 -2.579 -14.025 459 1HB PRO 56 2HB PRO 56 -6.648 -1.097 -11.839 460 2HB PRO 56 1HB PRO 56 -7.943 -2.297 -11.957 461 1HG PRO 56 2HG PRO 56 -5.310 -2.487 -10.540 462 2HG PRO 56 1HG PRO 56 -6.917 -2.989 -9.983 463 1HD PRO 56 2HD PRO 56 -5.037 -4.679 -11.086 464 2HD PRO 56 1HD PRO 56 -6.782 -4.999 -11.063 465 H ASP 57 H ASP 57 -5.852 -0.235 -13.425 466 HA ASP 57 HA ASP 57 -2.947 -0.381 -13.432 467 1HB ASP 57 2HB ASP 57 -3.560 -0.600 -15.807 468 2HB ASP 57 1HB ASP 57 -4.499 0.887 -15.700 469 H GLY 58 H GLY 58 -5.796 1.713 -13.780 470 1HA GLY 58 2HA GLY 58 -6.222 3.842 -13.021 471 2HA GLY 58 1HA GLY 58 -5.471 3.251 -11.549 472 H ASP 59 H ASP 59 -5.002 5.657 -11.502 473 HA ASP 59 HA ASP 59 -2.736 6.435 -13.164 474 1HB ASP 59 2HB ASP 59 -4.534 7.916 -11.257 475 2HB ASP 59 1HB ASP 59 -3.026 8.627 -11.824 476 H GLY 60 H GLY 60 -2.016 4.365 -11.587 477 1HA GLY 60 2HA GLY 60 -1.117 4.753 -9.027 478 2HA GLY 60 1HA GLY 60 -0.277 3.757 -10.206 479 H VAL 61 H VAL 61 0.336 5.951 -11.995 480 HA VAL 61 HA VAL 61 2.806 6.752 -10.920 481 HB VAL 61 HB VAL 61 1.397 8.152 -13.185 482 1HG1 VAL 61 1HG1 VAL 61 4.087 8.102 -12.084 483 2HG1 VAL 61 2HG1 VAL 61 3.320 9.273 -13.156 484 3HG1 VAL 61 3HG1 VAL 61 4.043 7.809 -13.823 485 1HG2 VAL 61 1HG2 VAL 61 2.753 5.469 -13.175 486 2HG2 VAL 61 2HG2 VAL 61 2.575 6.435 -14.640 487 3HG2 VAL 61 3HG2 VAL 61 1.145 5.882 -13.769 488 H ASN 62 H ASN 62 -0.204 8.562 -11.489 489 HA ASN 62 HA ASN 62 0.835 10.836 -10.001 490 1HB ASN 62 2HB ASN 62 -1.174 10.431 -12.031 491 2HB ASN 62 1HB ASN 62 -1.863 11.295 -10.660 492 1HD2 ASN 62 1HD2 ASN 62 1.087 11.280 -12.634 493 2HD2 ASN 62 2HD2 ASN 62 1.221 12.998 -12.748 494 H PHE 63 H PHE 63 -0.295 8.024 -8.983 495 HA PHE 63 HA PHE 63 -2.339 8.932 -7.147 496 1HB PHE 63 2HB PHE 63 -2.428 6.671 -8.173 497 2HB PHE 63 1HB PHE 63 -0.961 6.242 -7.298 498 HD1 PHE 63 1HD PHE 63 -4.212 7.873 -6.450 499 HD2 PHE 63 2HD PHE 63 -1.335 4.886 -5.492 500 HE1 PHE 63 1HE PHE 63 -5.567 7.196 -4.513 501 HE2 PHE 63 2HE PHE 63 -2.687 4.201 -3.554 502 HZ PHE 63 HZ PHE 63 -4.808 5.358 -3.063 503 H ILE 64 H ILE 64 1.030 7.870 -6.985 504 HA ILE 64 HA ILE 64 1.476 7.696 -4.299 505 HB ILE 64 HB ILE 64 3.340 9.051 -6.251 506 1HG1 ILE 64 2HG1 ILE 64 4.202 6.449 -5.891 507 2HG1 ILE 64 1HG1 ILE 64 2.451 6.279 -5.968 508 1HG2 ILE 64 1HG2 ILE 64 5.113 8.432 -4.763 509 2HG2 ILE 64 2HG2 ILE 64 3.996 7.552 -3.721 510 3HG2 ILE 64 3HG2 ILE 64 3.895 9.309 -3.836 511 1HD1 ILE 64 1HD1 ILE 64 4.319 7.356 -8.041 512 2HD1 ILE 64 2HD1 ILE 64 2.590 7.692 -8.085 513 3HD1 ILE 64 3HD1 ILE 64 3.166 6.029 -8.165 514 H ASP 65 H ASP 65 0.918 10.594 -6.164 515 HA ASP 65 HA ASP 65 1.782 12.423 -4.148 516 1HB ASP 65 2HB ASP 65 1.197 12.672 -6.800 517 2HB ASP 65 1HB ASP 65 -0.249 13.363 -6.073 518 H PHE 66 H PHE 66 -1.328 11.032 -5.092 519 HA PHE 66 HA PHE 66 -3.010 12.548 -3.477 520 1HB PHE 66 2HB PHE 66 -3.947 11.067 -5.120 521 2HB PHE 66 1HB PHE 66 -3.191 9.665 -4.373 522 HD1 PHE 66 1HD PHE 66 -4.404 8.366 -2.901 523 HD2 PHE 66 2HD PHE 66 -5.654 12.362 -3.658 524 HE1 PHE 66 1HE PHE 66 -6.437 7.977 -1.574 525 HE2 PHE 66 2HE PHE 66 -7.690 11.981 -2.331 526 HZ PHE 66 HZ PHE 66 -8.084 9.786 -1.285 527 H ILE 67 H ILE 67 -1.171 9.613 -2.730 528 HA ILE 67 HA ILE 67 -2.152 9.232 -0.122 529 HB ILE 67 HB ILE 67 0.486 8.446 -1.366 530 1HG1 ILE 67 2HG1 ILE 67 -0.712 6.139 -1.051 531 2HG1 ILE 67 1HG1 ILE 67 -2.172 7.117 -0.955 532 1HG2 ILE 67 1HG2 ILE 67 1.170 8.247 0.781 533 2HG2 ILE 67 2HG2 ILE 67 0.250 6.745 0.700 534 3HG2 ILE 67 3HG2 ILE 67 -0.475 8.186 1.414 535 1HD1 ILE 67 1HD1 ILE 67 -0.499 7.819 -3.221 536 2HD1 ILE 67 2HD1 ILE 67 -2.219 7.430 -3.153 537 3HD1 ILE 67 3HD1 ILE 67 -1.025 6.136 -3.242 538 H LYS 68 H LYS 68 0.648 11.050 -1.338 539 HA LYS 68 HA LYS 68 1.407 11.929 1.299 540 1HB LYS 68 2HB LYS 68 2.326 12.988 -1.380 541 2HB LYS 68 1HB LYS 68 3.115 13.229 0.172 542 1HG LYS 68 2HG LYS 68 2.862 10.446 -0.177 543 2HG LYS 68 1HG LYS 68 3.439 11.105 -1.709 544 1HD LYS 68 2HD LYS 68 5.441 11.691 -0.847 545 2HD LYS 68 1HD LYS 68 4.744 12.190 0.696 546 1HE LYS 68 2HE LYS 68 4.512 9.338 0.339 547 2HE LYS 68 1HE LYS 68 6.188 9.857 0.157 548 1HZ LYS 68 1HZ LYS 68 5.587 11.205 2.316 549 2HZ LYS 68 2HZ LYS 68 6.097 9.594 2.396 550 3HZ LYS 68 3HZ LYS 68 4.451 9.966 2.507 551 H GLU 69 H GLU 69 -0.895 12.900 -0.996 552 HA GLU 69 HA GLU 69 -0.903 15.701 -0.438 553 1HB GLU 69 2HB GLU 69 -1.820 14.542 -2.515 554 2HB GLU 69 1HB GLU 69 -3.208 14.106 -1.528 555 1HG GLU 69 2HG GLU 69 -3.867 16.339 -1.268 556 2HG GLU 69 1HG GLU 69 -2.309 16.949 -1.826 557 H ASN 70 H ASN 70 -2.771 12.916 0.666 558 HA ASN 70 HA ASN 70 -3.900 14.599 2.805 559 1HB ASN 70 2HB ASN 70 -5.145 12.017 1.897 560 2HB ASN 70 1HB ASN 70 -5.892 13.361 2.757 561 1HD2 ASN 70 1HD2 ASN 70 -4.376 12.524 -0.327 562 2HD2 ASN 70 2HD2 ASN 70 -5.357 13.564 -1.294 563 H SER 71 H SER 71 -1.422 12.700 2.458 564 HA SER 71 HA SER 71 -1.468 11.775 5.173 565 1HB SER 71 2HB SER 71 -2.118 9.940 3.001 566 2HB SER 71 1HB SER 71 -0.722 9.400 3.933 567 HG SER 71 HG SER 71 -3.144 10.234 5.139 568 HA PRO 72 HA PRO 72 2.665 12.849 3.273 569 1HB PRO 72 2HB PRO 72 2.886 14.771 5.458 570 2HB PRO 72 1HB PRO 72 3.007 15.046 3.720 571 1HG PRO 72 2HG PRO 72 0.916 15.927 5.200 572 2HG PRO 72 1HG PRO 72 0.761 15.465 3.495 573 1HD PRO 72 2HD PRO 72 0.030 13.921 5.954 574 2HD PRO 72 1HD PRO 72 -0.838 14.061 4.410 575 H ASP 73 H ASP 73 1.468 12.044 6.370 576 HA ASP 73 HA ASP 73 4.130 11.236 7.306 577 1HB ASP 73 2HB ASP 73 2.714 12.699 8.776 578 2HB ASP 73 1HB ASP 73 1.576 11.363 8.909 579 H SER 74 H SER 74 2.673 9.782 5.279 580 HA SER 74 HA SER 74 2.094 7.273 6.710 581 1HB SER 74 2HB SER 74 0.167 8.147 5.467 582 2HB SER 74 1HB SER 74 1.128 8.194 3.990 583 HG SER 74 HG SER 74 -0.280 6.295 4.346 584 H VAL 75 H VAL 75 2.186 5.668 4.338 585 HA VAL 75 HA VAL 75 4.894 5.959 3.318 586 HB VAL 75 HB VAL 75 4.085 3.391 4.686 587 1HG1 VAL 75 1HG1 VAL 75 6.408 4.287 3.035 588 2HG1 VAL 75 2HG1 VAL 75 5.561 2.740 3.042 589 3HG1 VAL 75 3HG1 VAL 75 6.691 3.133 4.338 590 1HG2 VAL 75 1HG2 VAL 75 4.500 4.839 6.464 591 2HG2 VAL 75 2HG2 VAL 75 5.759 5.710 5.590 592 3HG2 VAL 75 3HG2 VAL 75 6.069 4.081 6.190 593 H VAL 76 H VAL 76 5.154 5.223 1.338 594 HA VAL 76 HA VAL 76 2.898 3.767 0.116 595 HB VAL 76 HB VAL 76 4.858 5.531 -1.342 596 1HG1 VAL 76 1HG1 VAL 76 3.831 3.957 -2.806 597 2HG1 VAL 76 2HG1 VAL 76 3.040 5.511 -3.064 598 3HG1 VAL 76 3HG1 VAL 76 2.239 4.261 -2.111 599 1HG2 VAL 76 1HG2 VAL 76 2.424 6.199 0.185 600 2HG2 VAL 76 2HG2 VAL 76 2.564 6.931 -1.414 601 3HG2 VAL 76 3HG2 VAL 76 3.826 7.193 -0.210 602 H ILE 77 H ILE 77 3.370 1.696 -0.171 603 HA ILE 77 HA ILE 77 6.123 0.926 -0.830 604 HB ILE 77 HB ILE 77 3.800 -0.842 -0.051 605 1HG1 ILE 77 2HG1 ILE 77 4.475 0.662 1.776 606 2HG1 ILE 77 1HG1 ILE 77 4.902 -1.008 2.133 607 1HG2 ILE 77 1HG2 ILE 77 5.637 -1.857 -1.445 608 2HG2 ILE 77 2HG2 ILE 77 5.361 -2.617 0.122 609 3HG2 ILE 77 3HG2 ILE 77 6.729 -1.527 -0.101 610 1HD1 ILE 77 1HD1 ILE 77 7.098 0.224 0.815 611 2HD1 ILE 77 2HD1 ILE 77 7.002 -0.409 2.458 612 3HD1 ILE 77 3HD1 ILE 77 6.564 1.268 2.133 613 H VAL 78 H VAL 78 2.797 0.665 -1.987 614 HA VAL 78 HA VAL 78 1.910 -0.073 -3.970 615 HB VAL 78 HB VAL 78 4.378 1.322 -5.033 616 1HG1 VAL 78 1HG1 VAL 78 1.725 0.810 -6.374 617 2HG1 VAL 78 2HG1 VAL 78 3.211 -0.076 -6.703 618 3HG1 VAL 78 3HG1 VAL 78 3.112 1.644 -7.072 619 1HG2 VAL 78 1HG2 VAL 78 1.722 2.637 -4.933 620 2HG2 VAL 78 2HG2 VAL 78 3.337 3.327 -4.777 621 3HG2 VAL 78 3HG2 VAL 78 2.608 2.473 -3.417 622 H ILE 79 H ILE 79 2.363 -2.324 -3.390 623 HA ILE 79 HA ILE 79 4.629 -3.557 -4.758 624 HB ILE 79 HB ILE 79 2.563 -5.095 -3.221 625 1HG1 ILE 79 2HG1 ILE 79 4.915 -3.628 -2.010 626 2HG1 ILE 79 1HG1 ILE 79 3.224 -3.188 -1.798 627 1HG2 ILE 79 1HG2 ILE 79 4.835 -6.276 -2.614 628 2HG2 ILE 79 2HG2 ILE 79 5.382 -5.476 -4.087 629 3HG2 ILE 79 3HG2 ILE 79 4.021 -6.596 -4.145 630 1HD1 ILE 79 1HD1 ILE 79 4.018 -4.369 0.139 631 2HD1 ILE 79 2HD1 ILE 79 4.547 -5.722 -0.862 632 3HD1 ILE 79 3HD1 ILE 79 2.828 -5.358 -0.709 633 H THR 80 H THR 80 4.389 -5.179 -6.338 634 HA THR 80 HA THR 80 1.728 -5.739 -7.357 635 HB THR 80 HB THR 80 1.949 -4.786 -9.456 636 HG1 THR 80 1HG THR 80 3.802 -4.547 -10.498 637 1HG2 THR 80 1HG2 THR 80 1.752 -2.913 -8.021 638 2HG2 THR 80 2HG2 THR 80 2.945 -2.511 -9.258 639 3HG2 THR 80 3HG2 THR 80 3.473 -2.951 -7.633 640 H GLY 81 H GLY 81 5.173 -6.040 -8.267 641 1HA GLY 81 2HA GLY 81 6.383 -7.852 -8.994 642 2HA GLY 81 1HA GLY 81 5.412 -8.768 -7.851 643 H HIS 82 H HIS 82 5.984 -8.024 -11.159 644 HA HIS 82 HA HIS 82 4.236 -10.203 -11.954 645 1HB HIS 82 2HB HIS 82 2.861 -8.085 -12.030 646 2HB HIS 82 1HB HIS 82 3.955 -7.504 -13.281 647 HD1 HIS 82 1HD HIS 82 1.921 -10.688 -12.746 648 HD2 HIS 82 2HD HIS 82 2.914 -7.964 -15.723 649 HE1 HIS 82 1HE HIS 82 0.718 -11.477 -14.807 650 HE2 HIS 82 2HE HIS 82 1.398 -9.861 -16.616 651 H GLY 83 H GLY 83 6.388 -7.609 -13.084 652 1HA GLY 83 2HA GLY 83 8.310 -9.269 -14.201 653 2HA GLY 83 1HA GLY 83 7.152 -8.927 -15.478 654 H SER 84 H SER 84 10.050 -8.120 -14.837 655 HA SER 84 HA SER 84 11.398 -6.329 -15.219 656 1HB SER 84 2HB SER 84 8.936 -5.721 -16.758 657 2HB SER 84 1HB SER 84 10.024 -4.363 -16.461 658 HG SER 84 HG SER 84 10.781 -6.851 -17.601 659 H VAL 85 H VAL 85 11.251 -3.689 -15.044 660 HA VAL 85 HA VAL 85 9.696 -2.960 -12.683 661 HB VAL 85 HB VAL 85 12.682 -2.521 -12.758 662 1HG1 VAL 85 1HG1 VAL 85 10.572 -2.045 -10.662 663 2HG1 VAL 85 2HG1 VAL 85 11.585 -0.845 -11.465 664 3HG1 VAL 85 3HG1 VAL 85 12.305 -1.994 -10.338 665 1HG2 VAL 85 1HG2 VAL 85 11.047 -4.721 -11.564 666 2HG2 VAL 85 2HG2 VAL 85 12.535 -4.198 -10.773 667 3HG2 VAL 85 3HG2 VAL 85 12.584 -4.806 -12.427 668 H ASP 86 H ASP 86 8.796 -1.871 -14.737 669 HA ASP 86 HA ASP 86 10.223 0.662 -15.210 670 1HB ASP 86 2HB ASP 86 8.749 0.797 -17.277 671 2HB ASP 86 1HB ASP 86 9.973 -0.469 -17.288 672 H THR 87 H THR 87 7.303 -0.773 -14.021 673 HA THR 87 HA THR 87 5.857 1.746 -14.036 674 HB THR 87 HB THR 87 4.884 -0.703 -14.269 675 HG1 THR 87 1HG THR 87 3.168 0.467 -14.244 676 1HG2 THR 87 1HG2 THR 87 5.763 -1.297 -11.923 677 2HG2 THR 87 2HG2 THR 87 4.118 -1.759 -12.358 678 3HG2 THR 87 3HG2 THR 87 4.397 -0.346 -11.340 679 H ALA 88 H ALA 88 7.705 -0.258 -11.881 680 HA ALA 88 HA ALA 88 7.010 0.921 -9.426 681 1HB ALA 88 1HB ALA 88 9.123 -0.005 -8.612 682 2HB ALA 88 2HB ALA 88 9.626 -0.322 -10.270 683 3HB ALA 88 3HB ALA 88 8.248 -1.183 -9.588 684 H VAL 89 H VAL 89 9.822 1.462 -11.505 685 HA VAL 89 HA VAL 89 10.871 3.656 -10.149 686 HB VAL 89 HB VAL 89 12.161 4.118 -12.141 687 1HG1 VAL 89 1HG1 VAL 89 11.784 1.361 -11.185 688 2HG1 VAL 89 2HG1 VAL 89 13.244 2.345 -11.268 689 3HG1 VAL 89 3HG1 VAL 89 12.651 1.523 -12.711 690 1HG2 VAL 89 1HG2 VAL 89 11.701 2.808 -14.238 691 2HG2 VAL 89 2HG2 VAL 89 10.515 4.059 -13.861 692 3HG2 VAL 89 3HG2 VAL 89 10.145 2.365 -13.534 693 H LYS 90 H LYS 90 8.210 3.419 -12.373 694 HA LYS 90 HA LYS 90 8.102 6.247 -12.928 695 1HB LYS 90 2HB LYS 90 7.345 4.650 -14.609 696 2HB LYS 90 1HB LYS 90 6.135 4.025 -13.499 697 1HG LYS 90 2HG LYS 90 4.873 6.019 -13.597 698 2HG LYS 90 1HG LYS 90 6.175 6.887 -14.412 699 1HD LYS 90 2HD LYS 90 5.434 4.530 -15.897 700 2HD LYS 90 1HD LYS 90 4.023 5.544 -15.594 701 1HE LYS 90 2HE LYS 90 6.396 7.038 -16.418 702 2HE LYS 90 1HE LYS 90 5.827 5.887 -17.627 703 1HZ LYS 90 1HZ LYS 90 4.867 8.342 -17.404 704 2HZ LYS 90 2HZ LYS 90 3.798 7.546 -16.363 705 3HZ LYS 90 3HZ LYS 90 3.940 7.048 -17.972 706 H ALA 91 H ALA 91 7.187 4.338 -10.313 707 HA ALA 91 HA ALA 91 5.184 6.338 -9.493 708 1HB ALA 91 1HB ALA 91 4.334 4.395 -8.010 709 2HB ALA 91 2HB ALA 91 5.220 3.370 -9.139 710 3HB ALA 91 3HB ALA 91 3.923 4.414 -9.725 711 H ILE 92 H ILE 92 8.031 4.534 -8.592 712 HA ILE 92 HA ILE 92 7.875 5.333 -5.827 713 HB ILE 92 HB ILE 92 9.810 4.081 -5.425 714 1HG1 ILE 92 2HG1 ILE 92 10.353 4.178 -8.400 715 2HG1 ILE 92 1HG1 ILE 92 11.281 4.979 -7.137 716 1HG2 ILE 92 1HG2 ILE 92 9.261 2.106 -7.318 717 2HG2 ILE 92 2HG2 ILE 92 7.741 2.971 -7.102 718 3HG2 ILE 92 3HG2 ILE 92 8.558 2.266 -5.709 719 1HD1 ILE 92 1HD1 ILE 92 12.619 3.204 -7.212 720 2HD1 ILE 92 2HD1 ILE 92 11.447 2.258 -8.130 721 3HD1 ILE 92 3HD1 ILE 92 11.333 2.337 -6.372 722 H LYS 93 H LYS 93 9.807 6.252 -8.657 723 HA LYS 93 HA LYS 93 11.579 7.991 -7.392 724 1HB LYS 93 2HB LYS 93 10.652 7.527 -10.126 725 2HB LYS 93 1HB LYS 93 11.108 9.199 -9.831 726 1HG LYS 93 2HG LYS 93 13.183 7.848 -8.691 727 2HG LYS 93 1HG LYS 93 12.768 6.804 -10.051 728 1HD LYS 93 2HD LYS 93 12.789 9.609 -10.798 729 2HD LYS 93 1HD LYS 93 14.339 9.089 -10.135 730 1HE LYS 93 2HE LYS 93 13.195 7.169 -12.004 731 2HE LYS 93 1HE LYS 93 13.487 8.747 -12.732 732 1HZ LYS 93 1HZ LYS 93 15.763 8.399 -11.417 733 2HZ LYS 93 2HZ LYS 93 15.534 7.886 -13.013 734 3HZ LYS 93 3HZ LYS 93 15.385 6.783 -11.739 735 H LYS 94 H LYS 94 8.210 8.327 -8.054 736 HA LYS 94 HA LYS 94 8.024 11.145 -7.994 737 1HB LYS 94 2HB LYS 94 6.252 8.938 -8.224 738 2HB LYS 94 1HB LYS 94 5.640 10.009 -6.971 739 1HG LYS 94 2HG LYS 94 6.523 11.399 -9.382 740 2HG LYS 94 1HG LYS 94 5.188 10.278 -9.646 741 1HD LYS 94 2HD LYS 94 4.159 11.403 -7.547 742 2HD LYS 94 1HD LYS 94 5.308 12.697 -7.887 743 1HE LYS 94 2HE LYS 94 4.158 13.413 -9.679 744 2HE LYS 94 1HE LYS 94 3.800 11.775 -10.224 745 1HZ LYS 94 1HZ LYS 94 2.327 13.427 -8.270 746 2HZ LYS 94 2HZ LYS 94 2.157 11.744 -8.290 747 3HZ LYS 94 3HZ LYS 94 1.742 12.652 -9.656 748 H GLY 95 H GLY 95 8.356 8.748 -5.515 749 1HA GLY 95 2HA GLY 95 9.222 10.189 -3.469 750 2HA GLY 95 1HA GLY 95 7.517 10.603 -3.424 751 H ALA 96 H ALA 96 7.116 7.678 -4.475 752 HA ALA 96 HA ALA 96 6.262 6.548 -2.111 753 1HB ALA 96 1HB ALA 96 5.632 4.794 -3.367 754 2HB ALA 96 2HB ALA 96 7.235 4.594 -4.076 755 3HB ALA 96 3HB ALA 96 6.134 5.813 -4.717 756 H TYR 97 H TYR 97 7.137 4.270 -1.387 757 HA TYR 97 HA TYR 97 9.864 4.743 -0.456 758 1HB TYR 97 2HB TYR 97 8.064 4.250 1.171 759 2HB TYR 97 1HB TYR 97 7.851 2.671 0.425 760 HD1 TYR 97 1HD TYR 97 10.404 4.784 2.125 761 HD2 TYR 97 2HD TYR 97 9.084 0.849 1.195 762 HE1 TYR 97 1HE TYR 97 12.129 3.860 3.614 763 HE2 TYR 97 2HE TYR 97 10.804 -0.086 2.681 764 HH TYR 97 HH TYR 97 13.373 1.271 3.605 765 H GLU 98 H GLU 98 9.273 3.826 -3.171 766 HA GLU 98 HA GLU 98 10.232 2.457 -4.712 767 1HB GLU 98 2HB GLU 98 12.311 2.618 -3.523 768 2HB GLU 98 1HB GLU 98 11.776 1.456 -2.325 769 1HG GLU 98 2HG GLU 98 12.608 -0.201 -3.516 770 2HG GLU 98 1HG GLU 98 11.590 0.241 -4.884 771 H PHE 99 H PHE 99 9.659 0.598 -5.701 772 HA PHE 99 HA PHE 99 7.474 -0.845 -4.789 773 1HB PHE 99 2HB PHE 99 9.307 -0.961 -7.042 774 2HB PHE 99 1HB PHE 99 8.765 -2.561 -6.561 775 HD1 PHE 99 1HD PHE 99 7.225 -3.236 -8.143 776 HD2 PHE 99 2HD PHE 99 6.975 0.704 -6.552 777 HE1 PHE 99 1HE PHE 99 5.116 -2.881 -9.362 778 HE2 PHE 99 2HE PHE 99 4.866 1.064 -7.768 779 HZ PHE 99 HZ PHE 99 3.934 -0.729 -9.172 780 H LEU 100 H LEU 100 7.204 -2.889 -3.905 781 HA LEU 100 HA LEU 100 9.387 -3.784 -2.232 782 1HB LEU 100 2HB LEU 100 6.860 -3.522 -1.626 783 2HB LEU 100 1HB LEU 100 6.707 -5.104 -2.367 784 HG LEU 100 HG LEU 100 6.934 -5.351 0.017 785 1HD1 LEU 100 1HD1 LEU 100 7.999 -7.001 -1.489 786 2HD1 LEU 100 2HD1 LEU 100 8.785 -6.881 0.086 787 3HD1 LEU 100 3HD1 LEU 100 9.517 -6.118 -1.326 788 1HD2 LEU 100 1HD2 LEU 100 9.578 -3.924 -0.242 789 2HD2 LEU 100 2HD2 LEU 100 8.868 -4.575 1.235 790 3HD2 LEU 100 3HD2 LEU 100 8.107 -3.209 0.419 791 H GLU 101 H GLU 101 10.837 -5.102 -3.128 792 HA GLU 101 HA GLU 101 10.495 -6.636 -5.425 793 1HB GLU 101 2HB GLU 101 12.601 -6.023 -3.782 794 2HB GLU 101 1HB GLU 101 12.406 -7.746 -3.492 795 1HG GLU 101 2HG GLU 101 12.349 -7.886 -6.095 796 2HG GLU 101 1HG GLU 101 13.148 -6.318 -5.997 797 H LYS 102 H LYS 102 11.287 -9.189 -5.001 798 HA LYS 102 HA LYS 102 10.528 -11.282 -4.542 799 1HB LYS 102 2HB LYS 102 9.375 -9.956 -2.081 800 2HB LYS 102 1HB LYS 102 9.510 -11.691 -2.331 801 1HG LYS 102 2HG LYS 102 12.075 -10.861 -2.753 802 2HG LYS 102 1HG LYS 102 11.524 -9.748 -1.500 803 1HD LYS 102 2HD LYS 102 11.097 -11.471 0.012 804 2HD LYS 102 1HD LYS 102 11.046 -12.697 -1.257 805 1HE LYS 102 2HE LYS 102 13.483 -11.226 -0.260 806 2HE LYS 102 1HE LYS 102 13.088 -12.921 0.019 807 1HZ LYS 102 1HZ LYS 102 14.083 -11.617 -2.407 808 2HZ LYS 102 2HZ LYS 102 13.054 -12.949 -2.589 809 3HZ LYS 102 3HZ LYS 102 14.505 -13.112 -1.734 810 HA PRO 103 HA PRO 103 6.432 -10.224 -6.405 811 1HB PRO 103 2HB PRO 103 6.597 -12.153 -8.330 812 2HB PRO 103 1HB PRO 103 7.256 -10.525 -8.522 813 1HG PRO 103 2HG PRO 103 8.658 -13.060 -7.768 814 2HG PRO 103 1HG PRO 103 9.178 -11.782 -8.883 815 1HD PRO 103 2HD PRO 103 10.139 -11.965 -6.372 816 2HD PRO 103 1HD PRO 103 9.881 -10.399 -7.169 817 H PHE 104 H PHE 104 4.495 -11.269 -6.123 818 HA PHE 104 HA PHE 104 3.001 -12.724 -5.214 819 1HB PHE 104 2HB PHE 104 4.670 -14.221 -6.926 820 2HB PHE 104 1HB PHE 104 4.446 -15.199 -5.480 821 HD1 PHE 104 1HD PHE 104 3.012 -14.105 -8.551 822 HD2 PHE 104 2HD PHE 104 2.060 -15.610 -4.686 823 HE1 PHE 104 1HE PHE 104 0.798 -14.796 -9.370 824 HE2 PHE 104 2HE PHE 104 -0.156 -16.304 -5.498 825 HZ PHE 104 HZ PHE 104 -0.791 -15.897 -7.843 826 H SER 105 H SER 105 5.157 -11.601 -3.546 827 HA SER 105 HA SER 105 4.650 -13.145 -1.189 828 1HB SER 105 2HB SER 105 7.102 -13.487 -0.665 829 2HB SER 105 1HB SER 105 6.465 -14.509 -1.954 830 HG SER 105 HG SER 105 7.306 -12.840 -3.417 831 H VAL 106 H VAL 106 5.374 -12.078 0.747 832 HA VAL 106 HA VAL 106 6.421 -9.369 0.404 833 HB VAL 106 HB VAL 106 4.700 -8.393 1.836 834 1HG1 VAL 106 1HG1 VAL 106 3.712 -9.839 -0.608 835 2HG1 VAL 106 2HG1 VAL 106 4.302 -8.181 -0.491 836 3HG1 VAL 106 3HG1 VAL 106 2.763 -8.624 0.247 837 1HG2 VAL 106 1HG2 VAL 106 2.573 -10.081 1.892 838 2HG2 VAL 106 2HG2 VAL 106 3.692 -9.835 3.232 839 3HG2 VAL 106 3HG2 VAL 106 3.912 -11.202 2.139 840 H GLU 107 H GLU 107 7.952 -11.379 1.346 841 HA GLU 107 HA GLU 107 7.809 -11.666 4.186 842 1HB GLU 107 2HB GLU 107 8.864 -13.439 3.019 843 2HB GLU 107 1HB GLU 107 9.876 -12.337 2.095 844 1HG GLU 107 2HG GLU 107 11.419 -12.172 3.720 845 2HG GLU 107 1HG GLU 107 10.226 -12.265 5.015 846 H ARG 108 H ARG 108 10.179 -10.057 2.045 847 HA ARG 108 HA ARG 108 11.533 -8.637 4.023 848 1HB ARG 108 2HB ARG 108 11.630 -8.796 1.241 849 2HB ARG 108 1HB ARG 108 11.250 -7.108 1.557 850 1HG ARG 108 2HG ARG 108 13.295 -6.666 2.353 851 2HG ARG 108 1HG ARG 108 13.395 -8.196 3.228 852 1HD ARG 108 2HD ARG 108 13.945 -9.365 1.175 853 2HD ARG 108 1HD ARG 108 13.759 -7.875 0.251 854 HE ARG 108 HE ARG 108 16.023 -8.665 1.841 855 1HH1 ARG 108 1HH1 ARG 108 14.306 -5.968 0.442 856 2HH1 ARG 108 2HH1 ARG 108 15.692 -4.931 0.429 857 1HH2 ARG 108 1HH2 ARG 108 17.848 -7.304 1.822 858 2HH2 ARG 108 2HH2 ARG 108 17.704 -5.690 1.211 859 H PHE 109 H PHE 109 8.492 -8.082 2.449 860 HA PHE 109 HA PHE 109 8.051 -5.392 3.138 861 1HB PHE 109 2HB PHE 109 6.652 -6.506 1.499 862 2HB PHE 109 1HB PHE 109 6.135 -7.690 2.689 863 HD1 PHE 109 1HD PHE 109 5.886 -4.149 1.692 864 HD2 PHE 109 2HD PHE 109 4.345 -7.249 4.166 865 HE1 PHE 109 1HE PHE 109 3.958 -2.732 2.261 866 HE2 PHE 109 2HE PHE 109 2.414 -5.838 4.739 867 HZ PHE 109 HZ PHE 109 2.218 -3.575 3.786 868 H LEU 110 H LEU 110 7.438 -8.437 4.793 869 HA LEU 110 HA LEU 110 5.947 -7.605 6.960 870 1HB LEU 110 2HB LEU 110 6.911 -9.938 6.202 871 2HB LEU 110 1HB LEU 110 8.129 -9.561 7.405 872 HG LEU 110 HG LEU 110 5.203 -9.466 8.070 873 1HD1 LEU 110 1HD1 LEU 110 5.403 -11.750 8.914 874 2HD1 LEU 110 2HD1 LEU 110 7.034 -11.855 8.249 875 3HD1 LEU 110 3HD1 LEU 110 5.650 -11.683 7.169 876 1HD2 LEU 110 1HD2 LEU 110 7.783 -9.542 9.582 877 2HD2 LEU 110 2HD2 LEU 110 6.287 -10.102 10.328 878 3HD2 LEU 110 3HD2 LEU 110 6.418 -8.440 9.755 879 H LEU 111 H LEU 111 9.490 -7.979 6.914 880 HA LEU 111 HA LEU 111 9.895 -6.735 9.416 881 1HB LEU 111 2HB LEU 111 11.862 -7.035 7.149 882 2HB LEU 111 1HB LEU 111 12.256 -6.722 8.828 883 HG LEU 111 HG LEU 111 10.875 -9.016 9.119 884 1HD1 LEU 111 1HD1 LEU 111 11.756 -8.897 6.300 885 2HD1 LEU 111 2HD1 LEU 111 10.408 -9.763 7.035 886 3HD1 LEU 111 3HD1 LEU 111 12.045 -10.407 7.164 887 1HD2 LEU 111 1HD2 LEU 111 13.231 -8.356 9.827 888 2HD2 LEU 111 2HD2 LEU 111 13.764 -9.061 8.301 889 3HD2 LEU 111 3HD2 LEU 111 12.941 -10.065 9.495 890 H THR 112 H THR 112 10.159 -5.507 6.096 891 HA THR 112 HA THR 112 11.137 -2.958 6.716 892 HB THR 112 HB THR 112 9.392 -3.851 4.414 893 HG1 THR 112 1HG THR 112 11.167 -4.590 3.605 894 1HG2 THR 112 1HG2 THR 112 10.334 -1.943 3.189 895 2HG2 THR 112 2HG2 THR 112 11.051 -1.358 4.690 896 3HG2 THR 112 3HG2 THR 112 9.297 -1.451 4.528 897 H ILE 113 H ILE 113 7.856 -4.213 6.593 898 HA ILE 113 HA ILE 113 6.345 -1.928 6.660 899 HB ILE 113 HB ILE 113 5.972 -4.673 7.718 900 1HG1 ILE 113 2HG1 ILE 113 5.410 -4.008 5.398 901 2HG1 ILE 113 1HG1 ILE 113 4.014 -4.613 6.284 902 1HG2 ILE 113 1HG2 ILE 113 5.122 -3.519 9.610 903 2HG2 ILE 113 2HG2 ILE 113 3.734 -4.040 8.655 904 3HG2 ILE 113 3HG2 ILE 113 4.264 -2.358 8.598 905 1HD1 ILE 113 1HD1 ILE 113 4.346 -1.724 6.470 906 2HD1 ILE 113 2HD1 ILE 113 2.919 -2.685 6.081 907 3HD1 ILE 113 3HD1 ILE 113 4.099 -2.312 4.825 908 H LYS 114 H LYS 114 7.667 -3.623 9.505 909 HA LYS 114 HA LYS 114 6.735 -2.031 11.517 910 1HB LYS 114 2HB LYS 114 8.334 -4.099 11.547 911 2HB LYS 114 1HB LYS 114 9.601 -2.880 11.572 912 1HG LYS 114 2HG LYS 114 7.350 -2.875 13.553 913 2HG LYS 114 1HG LYS 114 8.826 -3.808 13.805 914 1HD LYS 114 2HD LYS 114 8.682 -0.828 13.353 915 2HD LYS 114 1HD LYS 114 8.931 -1.621 14.910 916 1HE LYS 114 2HE LYS 114 10.921 -2.769 13.610 917 2HE LYS 114 1HE LYS 114 10.788 -1.329 12.601 918 1HZ LYS 114 1HZ LYS 114 10.824 -0.904 15.482 919 2HZ LYS 114 2HZ LYS 114 11.536 0.003 14.244 920 3HZ LYS 114 3HZ LYS 114 12.274 -1.420 14.783 921 H HIS 115 H HIS 115 9.817 -1.578 9.803 922 HA HIS 115 HA HIS 115 10.575 0.824 10.924 923 1HB HIS 115 2HB HIS 115 11.503 -0.800 8.892 924 2HB HIS 115 1HB HIS 115 11.174 0.730 8.087 925 HD1 HIS 115 1HD HIS 115 12.457 0.452 11.620 926 HD2 HIS 115 2HD HIS 115 13.795 1.551 7.842 927 HE1 HIS 115 1HE HIS 115 14.725 1.478 11.981 928 HE2 HIS 115 2HE HIS 115 15.549 2.059 9.673 929 H ALA 116 H ALA 116 8.294 0.231 8.303 930 HA ALA 116 HA ALA 116 7.990 2.860 7.383 931 1HB ALA 116 1HB ALA 116 5.471 1.525 7.286 932 2HB ALA 116 2HB ALA 116 6.746 0.357 6.944 933 3HB ALA 116 3HB ALA 116 6.616 1.826 5.979 934 H PHE 117 H PHE 117 6.495 1.145 10.070 935 HA PHE 117 HA PHE 117 4.754 3.337 10.750 936 1HB PHE 117 2HB PHE 117 5.329 0.626 11.891 937 2HB PHE 117 1HB PHE 117 4.447 1.810 12.850 938 HD1 PHE 117 1HD PHE 117 2.326 2.767 11.916 939 HD2 PHE 117 2HD PHE 117 4.257 -0.625 10.225 940 HE1 PHE 117 1HE PHE 117 0.230 2.140 10.797 941 HE2 PHE 117 2HE PHE 117 2.161 -1.259 9.099 942 HZ PHE 117 HZ PHE 117 0.144 0.127 9.385 943 H GLU 118 H GLU 118 7.992 2.456 11.464 944 HA GLU 118 HA GLU 118 7.996 4.085 13.903 945 1HB GLU 118 2HB GLU 118 10.135 2.255 12.809 946 2HB GLU 118 1HB GLU 118 10.197 3.105 14.347 947 1HG GLU 118 2HG GLU 118 8.061 1.110 13.651 948 2HG GLU 118 1HG GLU 118 9.567 0.680 14.460 949 H GLU 119 H GLU 119 10.289 3.579 11.205 950 HA GLU 119 HA GLU 119 11.249 6.296 11.538 951 1HB GLU 119 2HB GLU 119 12.141 4.051 9.737 952 2HB GLU 119 1HB GLU 119 12.897 5.637 9.779 953 1HG GLU 119 2HG GLU 119 12.651 3.873 12.196 954 2HG GLU 119 1HG GLU 119 14.038 3.838 11.108 955 H TYR 120 H TYR 120 8.524 5.661 10.353 956 HA TYR 120 HA TYR 120 8.713 7.582 8.213 957 1HB TYR 120 2HB TYR 120 8.909 4.934 7.497 958 2HB TYR 120 1HB TYR 120 7.190 5.252 7.314 959 HD1 TYR 120 1HD TYR 120 6.752 7.669 6.124 960 HD2 TYR 120 2HD TYR 120 10.176 5.200 5.598 961 HE1 TYR 120 1HE TYR 120 7.181 8.737 3.951 962 HE2 TYR 120 2HE TYR 120 10.617 6.264 3.426 963 HH TYR 120 HH TYR 120 9.920 8.755 2.420 964 H SER 121 H SER 121 7.506 7.696 10.733 965 HA SER 121 HA SER 121 4.874 8.503 10.011 966 1HB SER 121 2HB SER 121 5.256 5.858 11.299 967 2HB SER 121 1HB SER 121 3.976 6.873 11.964 968 HG SER 121 HG SER 121 4.230 6.372 9.192 Start of MODEL 20 1 1H MET 1 1HT MET 1 -2.480 1.970 16.929 2 2H MET 1 2HT MET 1 -3.656 1.166 17.885 3 3H MET 1 3HT MET 1 -3.673 0.995 16.178 4 HA MET 1 HA MET 1 -1.391 0.177 17.826 5 1HB MET 1 2HB MET 1 -3.861 -1.378 17.039 6 2HB MET 1 1HB MET 1 -2.384 -2.125 17.634 7 1HG MET 1 2HG MET 1 -2.959 -1.750 19.734 8 2HG MET 1 1HG MET 1 -3.224 -0.038 19.415 9 1HE MET 1 1HE MET 1 -6.396 -1.103 21.363 10 2HE MET 1 2HE MET 1 -5.621 0.416 20.909 11 3HE MET 1 3HE MET 1 -4.654 -0.907 21.559 12 H LYS 2 H LYS 2 -1.213 1.520 15.403 13 HA LYS 2 HA LYS 2 -0.208 1.369 13.371 14 1HB LYS 2 2HB LYS 2 0.699 -0.963 14.821 15 2HB LYS 2 1HB LYS 2 0.652 -1.249 13.087 16 1HG LYS 2 2HG LYS 2 2.699 -0.351 13.110 17 2HG LYS 2 1HG LYS 2 1.836 1.186 13.180 18 1HD LYS 2 2HD LYS 2 2.521 1.596 15.272 19 2HD LYS 2 1HD LYS 2 2.187 -0.055 15.797 20 1HE LYS 2 2HE LYS 2 4.355 -0.466 14.241 21 2HE LYS 2 1HE LYS 2 4.693 1.161 14.832 22 1HZ LYS 2 1HZ LYS 2 4.021 -1.133 16.592 23 2HZ LYS 2 2HZ LYS 2 4.554 0.400 17.072 24 3HZ LYS 2 3HZ LYS 2 5.601 -0.640 16.244 25 H ARG 3 H ARG 3 -1.143 1.264 11.440 26 HA ARG 3 HA ARG 3 -2.661 -1.079 10.655 27 1HB ARG 3 2HB ARG 3 -4.646 0.214 10.037 28 2HB ARG 3 1HB ARG 3 -4.344 0.265 11.770 29 1HG ARG 3 2HG ARG 3 -3.262 2.415 10.039 30 2HG ARG 3 1HG ARG 3 -4.976 2.413 10.462 31 1HD ARG 3 2HD ARG 3 -4.300 2.248 12.861 32 2HD ARG 3 1HD ARG 3 -2.627 2.463 12.349 33 HE ARG 3 HE ARG 3 -4.400 4.533 11.432 34 1HH1 ARG 3 1HH1 ARG 3 -2.358 3.462 14.051 35 2HH1 ARG 3 2HH1 ARG 3 -2.107 5.057 14.675 36 1HH2 ARG 3 1HH2 ARG 3 -4.073 6.634 12.251 37 2HH2 ARG 3 2HH2 ARG 3 -3.082 6.859 13.655 38 H VAL 4 H VAL 4 -2.707 -1.413 8.469 39 HA VAL 4 HA VAL 4 -1.444 0.662 6.794 40 HB VAL 4 HB VAL 4 -1.110 -2.313 6.409 41 1HG1 VAL 4 1HG1 VAL 4 0.246 0.081 5.183 42 2HG1 VAL 4 2HG1 VAL 4 -0.778 -1.101 4.373 43 3HG1 VAL 4 3HG1 VAL 4 0.804 -1.577 4.986 44 1HG2 VAL 4 1HG2 VAL 4 0.846 -0.382 7.662 45 2HG2 VAL 4 2HG2 VAL 4 1.112 -2.100 7.362 46 3HG2 VAL 4 3HG2 VAL 4 -0.096 -1.587 8.540 47 H LEU 5 H LEU 5 -1.969 0.460 4.455 48 HA LEU 5 HA LEU 5 -4.663 -0.663 4.058 49 1HB LEU 5 2HB LEU 5 -4.732 1.768 4.089 50 2HB LEU 5 1HB LEU 5 -3.474 1.844 2.871 51 HG LEU 5 HG LEU 5 -4.982 0.806 1.238 52 1HD1 LEU 5 1HD1 LEU 5 -7.497 0.916 2.116 53 2HD1 LEU 5 2HD1 LEU 5 -6.694 0.515 3.634 54 3HD1 LEU 5 3HD1 LEU 5 -6.509 -0.540 2.233 55 1HD2 LEU 5 1HD2 LEU 5 -6.803 2.884 2.029 56 2HD2 LEU 5 2HD2 LEU 5 -5.656 2.847 0.689 57 3HD2 LEU 5 3HD2 LEU 5 -5.136 3.400 2.281 58 H VAL 6 H VAL 6 -4.751 -2.227 2.608 59 HA VAL 6 HA VAL 6 -2.541 -2.493 0.685 60 HB VAL 6 HB VAL 6 -4.618 -4.556 1.432 61 1HG1 VAL 6 1HG1 VAL 6 -2.304 -4.513 -0.420 62 2HG1 VAL 6 2HG1 VAL 6 -3.849 -5.351 -0.554 63 3HG1 VAL 6 3HG1 VAL 6 -2.587 -5.993 0.497 64 1HG2 VAL 6 1HG2 VAL 6 -3.352 -5.274 3.146 65 2HG2 VAL 6 2HG2 VAL 6 -2.708 -3.633 3.116 66 3HG2 VAL 6 3HG2 VAL 6 -1.839 -4.935 2.306 67 H VAL 7 H VAL 7 -2.881 -1.982 -1.393 68 HA VAL 7 HA VAL 7 -5.672 -1.914 -2.330 69 HB VAL 7 HB VAL 7 -3.326 -0.383 -3.466 70 1HG1 VAL 7 1HG1 VAL 7 -6.249 -0.471 -4.126 71 2HG1 VAL 7 2HG1 VAL 7 -4.864 -0.637 -5.204 72 3HG1 VAL 7 3HG1 VAL 7 -5.260 0.936 -4.514 73 1HG2 VAL 7 1HG2 VAL 7 -4.459 0.141 -1.077 74 2HG2 VAL 7 2HG2 VAL 7 -5.526 1.058 -2.142 75 3HG2 VAL 7 3HG2 VAL 7 -3.793 1.380 -2.140 76 H ASP 8 H ASP 8 -6.086 -3.764 -3.344 77 HA ASP 8 HA ASP 8 -4.147 -4.696 -5.359 78 1HB ASP 8 2HB ASP 8 -4.143 -6.507 -3.959 79 2HB ASP 8 1HB ASP 8 -5.744 -6.159 -3.321 80 H ASP 9 H ASP 9 -5.024 -5.514 -7.327 81 HA ASP 9 HA ASP 9 -7.380 -4.104 -8.173 82 1HB ASP 9 2HB ASP 9 -5.401 -4.213 -9.619 83 2HB ASP 9 1HB ASP 9 -5.566 -5.961 -9.723 84 H GLU 10 H GLU 10 -8.223 -5.826 -6.313 85 HA GLU 10 HA GLU 10 -9.805 -7.396 -5.880 86 1HB GLU 10 2HB GLU 10 -10.330 -6.571 -8.658 87 2HB GLU 10 1HB GLU 10 -11.010 -8.130 -8.209 88 1HG GLU 10 2HG GLU 10 -12.144 -7.080 -6.311 89 2HG GLU 10 1HG GLU 10 -11.480 -5.518 -6.788 90 H GLU 11 H GLU 11 -9.233 -9.344 -5.279 91 HA GLU 11 HA GLU 11 -8.990 -11.559 -6.917 92 1HB GLU 11 2HB GLU 11 -6.710 -10.016 -7.190 93 2HB GLU 11 1HB GLU 11 -6.234 -11.210 -5.990 94 1HG GLU 11 2HG GLU 11 -7.598 -12.106 -8.482 95 2HG GLU 11 1HG GLU 11 -5.892 -11.664 -8.533 96 H SER 12 H SER 12 -10.152 -10.864 -4.462 97 HA SER 12 HA SER 12 -10.498 -11.654 -2.355 98 1HB SER 12 2HB SER 12 -10.582 -13.836 -3.390 99 2HB SER 12 1HB SER 12 -8.822 -13.930 -3.441 100 HG SER 12 HG SER 12 -8.809 -14.013 -1.185 101 H ILE 13 H ILE 13 -8.848 -9.697 -2.163 102 HA ILE 13 HA ILE 13 -7.165 -8.708 -0.998 103 HB ILE 13 HB ILE 13 -7.361 -11.253 0.565 104 1HG1 ILE 13 2HG1 ILE 13 -9.453 -9.841 0.307 105 2HG1 ILE 13 1HG1 ILE 13 -8.959 -10.205 1.957 106 1HG2 ILE 13 1HG2 ILE 13 -5.324 -10.292 1.229 107 2HG2 ILE 13 2HG2 ILE 13 -6.489 -9.828 2.468 108 3HG2 ILE 13 3HG2 ILE 13 -6.008 -8.666 1.232 109 1HD1 ILE 13 1HD1 ILE 13 -7.979 -7.686 0.744 110 2HD1 ILE 13 2HD1 ILE 13 -8.413 -8.051 2.414 111 3HD1 ILE 13 3HD1 ILE 13 -9.677 -7.782 1.214 112 H THR 14 H THR 14 -4.854 -9.018 -0.261 113 HA THR 14 HA THR 14 -3.416 -10.435 -2.328 114 HB THR 14 HB THR 14 -1.538 -9.192 -1.710 115 HG1 THR 14 1HG THR 14 -1.041 -9.294 0.311 116 1HG2 THR 14 1HG2 THR 14 -3.387 -7.670 -2.400 117 2HG2 THR 14 2HG2 THR 14 -2.162 -6.919 -1.378 118 3HG2 THR 14 3HG2 THR 14 -3.717 -7.386 -0.691 119 H SER 15 H SER 15 -2.847 -12.494 -2.114 120 HA SER 15 HA SER 15 -3.335 -14.055 0.103 121 1HB SER 15 2HB SER 15 -1.693 -14.400 -2.361 122 2HB SER 15 1HB SER 15 -1.523 -15.589 -1.070 123 HG SER 15 HG SER 15 -3.191 -16.008 -2.709 124 H SER 16 H SER 16 -2.140 -14.973 1.703 125 HA SER 16 HA SER 16 -0.568 -15.190 3.311 126 1HB SER 16 2HB SER 16 0.929 -15.791 1.482 127 2HB SER 16 1HB SER 16 1.292 -14.090 1.200 128 HG SER 16 HG SER 16 2.132 -14.045 3.370 129 H LEU 17 H LEU 17 -1.849 -12.375 2.559 130 HA LEU 17 HA LEU 17 0.019 -10.666 4.004 131 1HB LEU 17 2HB LEU 17 -1.700 -10.172 1.954 132 2HB LEU 17 1HB LEU 17 -2.664 -9.637 3.308 133 HG LEU 17 HG LEU 17 -0.583 -8.257 1.920 134 1HD1 LEU 17 1HD1 LEU 17 -2.400 -6.978 2.360 135 2HD1 LEU 17 2HD1 LEU 17 -1.381 -6.494 3.714 136 3HD1 LEU 17 3HD1 LEU 17 -2.658 -7.686 3.953 137 1HD2 LEU 17 1HD2 LEU 17 0.537 -7.350 4.040 138 2HD2 LEU 17 2HD2 LEU 17 1.097 -8.898 3.409 139 3HD2 LEU 17 3HD2 LEU 17 0.014 -8.853 4.800 140 H SER 18 H SER 18 -3.370 -11.696 4.286 141 HA SER 18 HA SER 18 -4.032 -10.553 6.695 142 1HB SER 18 2HB SER 18 -5.566 -11.840 5.177 143 2HB SER 18 1HB SER 18 -4.881 -13.326 5.835 144 HG SER 18 HG SER 18 -6.504 -13.033 7.185 145 H ALA 19 H ALA 19 -2.710 -13.839 6.250 146 HA ALA 19 HA ALA 19 -2.475 -14.512 8.939 147 1HB ALA 19 1HB ALA 19 -2.119 -15.940 6.806 148 2HB ALA 19 2HB ALA 19 -1.197 -16.322 8.260 149 3HB ALA 19 3HB ALA 19 -0.438 -15.424 6.946 150 H ILE 20 H ILE 20 -0.225 -12.797 6.827 151 HA ILE 20 HA ILE 20 1.942 -12.655 8.613 152 HB ILE 20 HB ILE 20 1.117 -10.957 6.265 153 1HG1 ILE 20 2HG1 ILE 20 3.488 -12.777 6.697 154 2HG1 ILE 20 1HG1 ILE 20 1.992 -13.257 5.902 155 1HG2 ILE 20 1HG2 ILE 20 3.263 -10.439 8.253 156 2HG2 ILE 20 2HG2 ILE 20 2.280 -9.305 7.324 157 3HG2 ILE 20 3HG2 ILE 20 3.621 -10.150 6.549 158 1HD1 ILE 20 1HD1 ILE 20 4.036 -11.273 4.969 159 2HD1 ILE 20 2HD1 ILE 20 2.423 -11.384 4.264 160 3HD1 ILE 20 3HD1 ILE 20 3.514 -12.766 4.188 161 H LEU 21 H LEU 21 -0.255 -9.983 7.730 162 HA LEU 21 HA LEU 21 0.431 -8.214 9.717 163 1HB LEU 21 2HB LEU 21 -2.370 -8.650 8.700 164 2HB LEU 21 1HB LEU 21 -1.707 -7.169 9.371 165 HG LEU 21 HG LEU 21 -0.171 -8.122 7.091 166 1HD1 LEU 21 1HD1 LEU 21 -1.729 -8.503 5.569 167 2HD1 LEU 21 2HD1 LEU 21 -2.549 -6.993 5.963 168 3HD1 LEU 21 3HD1 LEU 21 -2.941 -8.467 6.847 169 1HD2 LEU 21 1HD2 LEU 21 -1.349 -5.608 8.130 170 2HD2 LEU 21 2HD2 LEU 21 -0.946 -5.688 6.414 171 3HD2 LEU 21 3HD2 LEU 21 0.304 -5.967 7.628 172 H GLU 22 H GLU 22 -1.518 -11.090 9.951 173 HA GLU 22 HA GLU 22 -2.689 -10.489 12.483 174 1HB GLU 22 2HB GLU 22 -2.488 -12.919 10.764 175 2HB GLU 22 1HB GLU 22 -2.993 -13.091 12.440 176 1HG GLU 22 2HG GLU 22 -4.758 -11.361 11.963 177 2HG GLU 22 1HG GLU 22 -4.338 -11.527 10.259 178 H GLU 23 H GLU 23 0.316 -11.890 11.425 179 HA GLU 23 HA GLU 23 0.957 -13.013 14.005 180 1HB GLU 23 2HB GLU 23 1.892 -14.192 12.192 181 2HB GLU 23 1HB GLU 23 2.428 -12.719 11.396 182 1HG GLU 23 2HG GLU 23 4.377 -12.723 12.461 183 2HG GLU 23 1HG GLU 23 3.629 -13.088 14.016 184 H GLU 24 H GLU 24 1.634 -10.113 12.169 185 HA GLU 24 HA GLU 24 3.526 -9.126 14.126 186 1HB GLU 24 2HB GLU 24 2.561 -8.238 11.465 187 2HB GLU 24 1HB GLU 24 3.202 -7.017 12.555 188 1HG GLU 24 2HG GLU 24 4.671 -9.508 11.731 189 2HG GLU 24 1HG GLU 24 4.871 -7.927 10.978 190 H GLY 25 H GLY 25 0.174 -8.703 13.256 191 1HA GLY 25 2HA GLY 25 -1.496 -7.880 14.678 192 2HA GLY 25 1HA GLY 25 -0.248 -7.192 15.705 193 H TYR 26 H TYR 26 -1.360 -6.824 12.335 194 HA TYR 26 HA TYR 26 -1.158 -3.908 12.702 195 1HB TYR 26 2HB TYR 26 -0.721 -5.659 10.300 196 2HB TYR 26 1HB TYR 26 -1.094 -3.952 10.112 197 HD1 TYR 26 1HD TYR 26 0.426 -2.289 11.390 198 HD2 TYR 26 2HD TYR 26 1.487 -6.333 10.604 199 HE1 TYR 26 1HE TYR 26 2.794 -1.725 11.721 200 HE2 TYR 26 2HE TYR 26 3.861 -5.779 10.933 201 HH TYR 26 HH TYR 26 4.910 -2.976 12.384 202 H HIS 27 H HIS 27 -2.593 -2.940 10.672 203 HA HIS 27 HA HIS 27 -5.258 -4.144 10.885 204 1HB HIS 27 2HB HIS 27 -4.408 -1.673 12.035 205 2HB HIS 27 1HB HIS 27 -5.532 -1.315 10.732 206 HD1 HIS 27 1HD HIS 27 -5.336 -2.873 14.110 207 HD2 HIS 27 2HD HIS 27 -8.177 -2.181 11.158 208 HE1 HIS 27 1HE HIS 27 -7.557 -3.333 15.194 209 HE2 HIS 27 2HE HIS 27 -9.253 -3.008 13.360 210 HA PRO 28 HA PRO 28 -4.418 -3.171 6.481 211 1HB PRO 28 2HB PRO 28 -4.984 -5.569 5.460 212 2HB PRO 28 1HB PRO 28 -3.442 -5.268 6.270 213 1HG PRO 28 2HG PRO 28 -5.875 -6.670 7.287 214 2HG PRO 28 1HG PRO 28 -4.167 -7.068 7.534 215 1HD PRO 28 2HD PRO 28 -5.782 -5.706 9.344 216 2HD PRO 28 1HD PRO 28 -4.009 -5.701 9.350 217 H ASP 29 H ASP 29 -6.072 -1.960 5.666 218 HA ASP 29 HA ASP 29 -8.776 -2.941 6.014 219 1HB ASP 29 2HB ASP 29 -8.034 -0.539 6.560 220 2HB ASP 29 1HB ASP 29 -8.109 -0.290 4.818 221 H THR 30 H THR 30 -6.458 -3.037 3.765 222 HA THR 30 HA THR 30 -6.333 -3.496 1.551 223 HB THR 30 HB THR 30 -7.913 -5.181 0.750 224 HG1 THR 30 1HG THR 30 -9.789 -4.246 1.753 225 1HG2 THR 30 1HG2 THR 30 -6.763 -6.656 1.921 226 2HG2 THR 30 2HG2 THR 30 -7.825 -6.377 3.301 227 3HG2 THR 30 3HG2 THR 30 -6.355 -5.421 3.112 228 H ALA 31 H ALA 31 -7.604 -3.505 -0.592 229 HA ALA 31 HA ALA 31 -9.778 -1.633 -0.809 230 1HB ALA 31 1HB ALA 31 -7.326 -0.481 -0.696 231 2HB ALA 31 2HB ALA 31 -8.708 0.203 -1.553 232 3HB ALA 31 3HB ALA 31 -7.499 -0.733 -2.433 233 H LYS 32 H LYS 32 -9.158 -0.990 -3.602 234 HA LYS 32 HA LYS 32 -9.037 -3.613 -4.883 235 1HB LYS 32 2HB LYS 32 -11.239 -1.788 -5.749 236 2HB LYS 32 1HB LYS 32 -11.116 -3.536 -5.893 237 1HG LYS 32 2HG LYS 32 -11.647 -3.839 -3.592 238 2HG LYS 32 1HG LYS 32 -11.520 -2.107 -3.279 239 1HD LYS 32 2HD LYS 32 -13.486 -1.641 -4.503 240 2HD LYS 32 1HD LYS 32 -13.505 -3.250 -5.229 241 1HE LYS 32 2HE LYS 32 -14.089 -4.263 -3.152 242 2HE LYS 32 1HE LYS 32 -13.814 -2.758 -2.274 243 1HZ LYS 32 1HZ LYS 32 -15.875 -2.998 -4.386 244 2HZ LYS 32 2HZ LYS 32 -15.726 -1.800 -3.202 245 3HZ LYS 32 3HZ LYS 32 -16.199 -3.364 -2.767 246 H THR 33 H THR 33 -9.306 -0.107 -5.318 247 HA THR 33 HA THR 33 -7.270 -0.233 -7.378 248 HB THR 33 HB THR 33 -9.500 1.435 -8.279 249 HG1 THR 33 1HG THR 33 -9.849 -1.379 -8.244 250 1HG2 THR 33 1HG2 THR 33 -7.747 1.035 -9.805 251 2HG2 THR 33 2HG2 THR 33 -9.137 0.114 -10.380 252 3HG2 THR 33 3HG2 THR 33 -7.820 -0.707 -9.543 253 H LEU 34 H LEU 34 -6.745 2.063 -8.152 254 HA LEU 34 HA LEU 34 -6.100 3.621 -5.910 255 1HB LEU 34 2HB LEU 34 -6.219 4.514 -8.792 256 2HB LEU 34 1HB LEU 34 -5.328 5.297 -7.500 257 HG LEU 34 HG LEU 34 -4.756 2.488 -8.438 258 1HD1 LEU 34 1HD1 LEU 34 -3.240 3.237 -9.962 259 2HD1 LEU 34 2HD1 LEU 34 -2.967 4.758 -9.112 260 3HD1 LEU 34 3HD1 LEU 34 -4.427 4.536 -10.076 261 1HD2 LEU 34 1HD2 LEU 34 -4.038 3.691 -6.112 262 2HD2 LEU 34 2HD2 LEU 34 -2.682 4.123 -7.154 263 3HD2 LEU 34 3HD2 LEU 34 -3.106 2.427 -6.914 264 H ARG 35 H ARG 35 -8.893 3.565 -7.964 265 HA ARG 35 HA ARG 35 -9.880 6.144 -7.176 266 1HB ARG 35 2HB ARG 35 -11.533 3.890 -8.305 267 2HB ARG 35 1HB ARG 35 -11.832 5.618 -8.423 268 1HG ARG 35 2HG ARG 35 -9.356 4.479 -9.633 269 2HG ARG 35 1HG ARG 35 -10.902 4.287 -10.462 270 1HD ARG 35 2HD ARG 35 -11.172 6.580 -10.749 271 2HD ARG 35 1HD ARG 35 -10.021 6.972 -9.473 272 HE ARG 35 HE ARG 35 -8.478 5.730 -11.300 273 1HH1 ARG 35 1HH1 ARG 35 -10.763 8.357 -11.540 274 2HH1 ARG 35 2HH1 ARG 35 -9.942 9.115 -12.863 275 1HH2 ARG 35 1HH2 ARG 35 -7.399 6.724 -13.040 276 2HH2 ARG 35 2HH2 ARG 35 -8.032 8.187 -13.715 277 H GLU 36 H GLU 36 -10.500 2.783 -6.280 278 HA GLU 36 HA GLU 36 -12.483 3.430 -4.322 279 1HB GLU 36 2HB GLU 36 -11.796 1.139 -5.628 280 2HB GLU 36 1HB GLU 36 -11.057 0.860 -4.057 281 1HG GLU 36 2HG GLU 36 -13.040 0.103 -3.417 282 2HG GLU 36 1HG GLU 36 -13.560 1.787 -3.406 283 H ALA 37 H ALA 37 -9.023 3.181 -4.370 284 HA ALA 37 HA ALA 37 -8.708 2.906 -1.532 285 1HB ALA 37 1HB ALA 37 -6.356 3.173 -1.932 286 2HB ALA 37 2HB ALA 37 -6.657 3.822 -3.545 287 3HB ALA 37 3HB ALA 37 -7.015 2.131 -3.194 288 H GLU 38 H GLU 38 -8.843 5.553 -3.830 289 HA GLU 38 HA GLU 38 -7.946 7.554 -2.015 290 1HB GLU 38 2HB GLU 38 -9.403 7.611 -4.637 291 2HB GLU 38 1HB GLU 38 -9.193 9.081 -3.695 292 1HG GLU 38 2HG GLU 38 -6.732 8.647 -3.729 293 2HG GLU 38 1HG GLU 38 -7.043 7.335 -4.860 294 H LYS 39 H LYS 39 -11.089 6.292 -2.992 295 HA LYS 39 HA LYS 39 -12.682 8.105 -1.547 296 1HB LYS 39 2HB LYS 39 -13.657 6.681 -3.250 297 2HB LYS 39 1HB LYS 39 -13.195 5.237 -2.362 298 1HG LYS 39 2HG LYS 39 -14.969 7.217 -1.030 299 2HG LYS 39 1HG LYS 39 -15.646 6.167 -2.277 300 1HD LYS 39 2HD LYS 39 -14.449 4.277 -0.931 301 2HD LYS 39 1HD LYS 39 -14.485 5.453 0.384 302 1HE LYS 39 2HE LYS 39 -16.965 5.686 -0.081 303 2HE LYS 39 1HE LYS 39 -16.809 4.263 -1.112 304 1HZ LYS 39 1HZ LYS 39 -15.884 4.217 1.692 305 2HZ LYS 39 2HZ LYS 39 -16.295 2.918 0.691 306 3HZ LYS 39 3HZ LYS 39 -17.505 3.928 1.308 307 H LYS 40 H LYS 40 -11.097 5.081 -0.676 308 HA LYS 40 HA LYS 40 -12.272 4.897 1.919 309 1HB LYS 40 2HB LYS 40 -9.830 3.602 0.711 310 2HB LYS 40 1HB LYS 40 -10.432 3.235 2.322 311 1HG LYS 40 2HG LYS 40 -12.332 3.020 0.056 312 2HG LYS 40 1HG LYS 40 -11.082 1.784 0.212 313 1HD LYS 40 2HD LYS 40 -12.578 2.509 2.665 314 2HD LYS 40 1HD LYS 40 -13.454 1.606 1.428 315 1HE LYS 40 2HE LYS 40 -11.462 0.011 1.429 316 2HE LYS 40 1HE LYS 40 -10.971 0.810 2.921 317 1HZ LYS 40 1HZ LYS 40 -13.388 0.281 3.636 318 2HZ LYS 40 2HZ LYS 40 -12.217 -0.939 3.695 319 3HZ LYS 40 3HZ LYS 40 -13.319 -0.885 2.412 320 H ILE 41 H ILE 41 -9.122 6.001 0.705 321 HA ILE 41 HA ILE 41 -8.103 6.718 3.255 322 HB ILE 41 HB ILE 41 -7.263 7.775 0.556 323 1HG1 ILE 41 2HG1 ILE 41 -5.760 5.627 1.974 324 2HG1 ILE 41 1HG1 ILE 41 -7.259 5.173 1.171 325 1HG2 ILE 41 1HG2 ILE 41 -5.149 7.542 2.474 326 2HG2 ILE 41 2HG2 ILE 41 -6.460 8.510 3.149 327 3HG2 ILE 41 3HG2 ILE 41 -5.722 8.972 1.615 328 1HD1 ILE 41 1HD1 ILE 41 -6.307 6.299 -0.895 329 2HD1 ILE 41 2HD1 ILE 41 -5.565 4.780 -0.392 330 3HD1 ILE 41 3HD1 ILE 41 -4.766 6.312 -0.039 331 H LYS 42 H LYS 42 -10.117 8.346 0.928 332 HA LYS 42 HA LYS 42 -9.782 11.000 1.485 333 1HB LYS 42 2HB LYS 42 -11.491 9.718 -0.047 334 2HB LYS 42 1HB LYS 42 -12.569 9.971 1.317 335 1HG LYS 42 2HG LYS 42 -12.172 12.381 1.175 336 2HG LYS 42 1HG LYS 42 -11.113 12.115 -0.211 337 1HD LYS 42 2HD LYS 42 -13.263 12.770 -1.036 338 2HD LYS 42 1HD LYS 42 -13.043 11.056 -1.389 339 1HE LYS 42 2HE LYS 42 -14.261 11.424 1.199 340 2HE LYS 42 1HE LYS 42 -15.186 12.254 -0.051 341 1HZ LYS 42 1HZ LYS 42 -14.766 9.412 0.364 342 2HZ LYS 42 2HZ LYS 42 -14.727 9.926 -1.246 343 3HZ LYS 42 3HZ LYS 42 -16.094 10.227 -0.294 344 H GLU 43 H GLU 43 -11.218 8.571 3.523 345 HA GLU 43 HA GLU 43 -11.798 10.635 5.533 346 1HB GLU 43 2HB GLU 43 -13.087 7.917 5.249 347 2HB GLU 43 1HB GLU 43 -13.481 9.125 6.464 348 1HG GLU 43 2HG GLU 43 -14.576 10.478 4.965 349 2HG GLU 43 1HG GLU 43 -13.693 9.837 3.580 350 H LEU 44 H LEU 44 -10.633 7.327 5.046 351 HA LEU 44 HA LEU 44 -9.675 7.112 7.757 352 1HB LEU 44 2HB LEU 44 -10.036 5.353 5.480 353 2HB LEU 44 1HB LEU 44 -8.477 5.097 6.240 354 HG LEU 44 HG LEU 44 -10.221 3.591 7.114 355 1HD1 LEU 44 1HD1 LEU 44 -8.308 4.217 8.507 356 2HD1 LEU 44 2HD1 LEU 44 -9.758 3.947 9.473 357 3HD1 LEU 44 3HD1 LEU 44 -9.219 5.592 9.135 358 1HD2 LEU 44 1HD2 LEU 44 -12.103 4.344 8.283 359 2HD2 LEU 44 2HD2 LEU 44 -12.038 5.369 6.850 360 3HD2 LEU 44 3HD2 LEU 44 -11.481 5.990 8.404 361 H PHE 45 H PHE 45 -7.918 8.166 8.394 362 HA PHE 45 HA PHE 45 -5.934 9.101 6.553 363 1HB PHE 45 2HB PHE 45 -6.543 10.379 8.573 364 2HB PHE 45 1HB PHE 45 -5.906 9.082 9.580 365 HD1 PHE 45 1HD PHE 45 -4.900 11.478 6.920 366 HD2 PHE 45 2HD PHE 45 -3.690 9.121 10.250 367 HE1 PHE 45 1HE PHE 45 -2.673 12.522 6.846 368 HE2 PHE 45 2HE PHE 45 -1.462 10.162 10.183 369 HZ PHE 45 HZ PHE 45 -0.950 11.866 8.479 370 H PHE 46 H PHE 46 -5.691 6.712 5.841 371 HA PHE 46 HA PHE 46 -4.327 4.824 7.357 372 1HB PHE 46 2HB PHE 46 -4.409 5.360 4.395 373 2HB PHE 46 1HB PHE 46 -3.467 4.033 5.062 374 HD1 PHE 46 1HD PHE 46 -6.497 4.851 3.624 375 HD2 PHE 46 2HD PHE 46 -4.879 2.567 6.830 376 HE1 PHE 46 1HE PHE 46 -8.504 3.428 3.617 377 HE2 PHE 46 2HE PHE 46 -6.883 1.139 6.828 378 HZ PHE 46 HZ PHE 46 -8.699 1.572 5.222 379 HA PRO 47 HA PRO 47 -0.365 6.885 7.698 380 1HB PRO 47 2HB PRO 47 0.910 5.008 9.142 381 2HB PRO 47 1HB PRO 47 -0.341 6.038 9.850 382 1HG PRO 47 2HG PRO 47 -0.538 3.228 8.857 383 2HG PRO 47 1HG PRO 47 -1.215 3.938 10.331 384 1HD PRO 47 2HD PRO 47 -2.670 3.520 8.057 385 2HD PRO 47 1HD PRO 47 -3.031 4.808 9.224 386 H VAL 48 H VAL 48 -0.695 3.524 6.652 387 HA VAL 48 HA VAL 48 1.609 3.910 4.864 388 HB VAL 48 HB VAL 48 0.907 1.339 6.265 389 1HG1 VAL 48 1HG1 VAL 48 2.327 1.664 3.971 390 2HG1 VAL 48 2HG1 VAL 48 2.554 0.338 5.112 391 3HG1 VAL 48 3HG1 VAL 48 3.602 1.755 5.186 392 1HG2 VAL 48 1HG2 VAL 48 1.786 2.293 8.058 393 2HG2 VAL 48 2HG2 VAL 48 2.407 3.661 7.135 394 3HG2 VAL 48 3HG2 VAL 48 3.334 2.163 7.222 395 H ILE 49 H ILE 49 0.815 3.957 2.853 396 HA ILE 49 HA ILE 49 -1.487 2.261 2.189 397 HB ILE 49 HB ILE 49 -0.256 4.077 0.167 398 1HG1 ILE 49 2HG1 ILE 49 -0.285 5.460 2.193 399 2HG1 ILE 49 1HG1 ILE 49 -1.499 6.008 1.044 400 1HG2 ILE 49 1HG2 ILE 49 -2.867 2.838 0.737 401 2HG2 ILE 49 2HG2 ILE 49 -2.069 3.154 -0.803 402 3HG2 ILE 49 3HG2 ILE 49 -2.912 4.455 0.036 403 1HD1 ILE 49 1HD1 ILE 49 -1.968 5.656 3.657 404 2HD1 ILE 49 2HD1 ILE 49 -2.417 4.061 3.051 405 3HD1 ILE 49 3HD1 ILE 49 -3.209 5.501 2.413 406 H VAL 50 H VAL 50 -1.423 0.635 0.604 407 HA VAL 50 HA VAL 50 1.211 0.064 -0.565 408 HB VAL 50 HB VAL 50 -0.692 -2.088 0.346 409 1HG1 VAL 50 1HG1 VAL 50 1.805 -3.141 0.410 410 2HG1 VAL 50 2HG1 VAL 50 1.950 -1.998 -0.923 411 3HG1 VAL 50 3HG1 VAL 50 0.709 -3.248 -0.967 412 1HG2 VAL 50 1HG2 VAL 50 0.536 -2.361 2.369 413 2HG2 VAL 50 2HG2 VAL 50 0.067 -0.664 2.266 414 3HG2 VAL 50 3HG2 VAL 50 1.719 -1.148 1.884 415 H LEU 51 H LEU 51 0.994 -1.445 -2.501 416 HA LEU 51 HA LEU 51 -1.622 -1.287 -3.788 417 1HB LEU 51 2HB LEU 51 -0.182 0.717 -4.424 418 2HB LEU 51 1HB LEU 51 0.850 -0.422 -5.268 419 HG LEU 51 HG LEU 51 -0.982 -1.049 -6.740 420 1HD1 LEU 51 1HD1 LEU 51 -2.887 -0.854 -5.350 421 2HD1 LEU 51 2HD1 LEU 51 -3.088 0.327 -6.644 422 3HD1 LEU 51 3HD1 LEU 51 -2.575 0.854 -5.040 423 1HD2 LEU 51 1HD2 LEU 51 -0.544 1.923 -6.496 424 2HD2 LEU 51 2HD2 LEU 51 -1.284 1.131 -7.888 425 3HD2 LEU 51 3HD2 LEU 51 0.391 0.783 -7.463 426 H ASP 52 H ASP 52 -1.842 -2.655 -5.647 427 HA ASP 52 HA ASP 52 0.193 -4.722 -5.996 428 1HB ASP 52 2HB ASP 52 -2.050 -5.146 -4.392 429 2HB ASP 52 1HB ASP 52 -2.481 -5.881 -5.931 430 H VAL 53 H VAL 53 0.451 -3.550 -7.996 431 HA VAL 53 HA VAL 53 -1.626 -3.187 -9.863 432 HB VAL 53 HB VAL 53 0.161 -2.826 -11.521 433 1HG1 VAL 53 1HG1 VAL 53 -0.177 -0.830 -10.517 434 2HG1 VAL 53 2HG1 VAL 53 1.455 -1.112 -9.913 435 3HG1 VAL 53 3HG1 VAL 53 0.063 -1.481 -8.896 436 1HG2 VAL 53 1HG2 VAL 53 2.304 -3.464 -11.260 437 2HG2 VAL 53 2HG2 VAL 53 1.625 -4.603 -10.098 438 3HG2 VAL 53 3HG2 VAL 53 2.317 -3.082 -9.538 439 H TRP 54 H TRP 54 -2.485 -5.490 -9.447 440 HA TRP 54 HA TRP 54 -1.190 -7.690 -10.690 441 1HB TRP 54 2HB TRP 54 -2.857 -8.164 -9.041 442 2HB TRP 54 1HB TRP 54 -4.060 -7.194 -9.883 443 HD1 TRP 54 HD TRP 54 -5.841 -8.758 -10.825 444 HE1 TRP 54 1HE TRP 54 -5.855 -11.022 -12.045 445 HE3 TRP 54 3HE TRP 54 -0.830 -9.761 -10.731 446 HZ2 TRP 54 2HZ TRP 54 -3.989 -12.979 -12.860 447 HZ3 TRP 54 3HZ TRP 54 -0.026 -11.851 -11.752 448 HH2 TRP 54 HH TRP 54 -1.575 -13.426 -12.794 449 H MET 55 H MET 55 -4.289 -6.274 -11.695 450 HA MET 55 HA MET 55 -3.319 -5.957 -14.416 451 1HB MET 55 2HB MET 55 -5.291 -8.015 -13.567 452 2HB MET 55 1HB MET 55 -5.615 -7.159 -15.068 453 1HG MET 55 2HG MET 55 -3.398 -7.821 -15.898 454 2HG MET 55 1HG MET 55 -3.132 -8.727 -14.410 455 1HE MET 55 1HE MET 55 -2.652 -9.998 -17.033 456 2HE MET 55 2HE MET 55 -3.649 -11.441 -17.215 457 3HE MET 55 3HE MET 55 -2.752 -11.171 -15.721 458 HA PRO 56 HA PRO 56 -6.634 -2.934 -13.102 459 1HB PRO 56 2HB PRO 56 -4.908 -0.927 -12.158 460 2HB PRO 56 1HB PRO 56 -5.855 -2.037 -11.172 461 1HG PRO 56 2HG PRO 56 -3.052 -1.940 -11.371 462 2HG PRO 56 1HG PRO 56 -4.014 -3.210 -10.603 463 1HD PRO 56 2HD PRO 56 -2.776 -3.142 -13.312 464 2HD PRO 56 1HD PRO 56 -3.037 -4.515 -12.221 465 H ASP 57 H ASP 57 -6.058 -0.198 -13.412 466 HA ASP 57 HA ASP 57 -4.938 0.017 -16.115 467 1HB ASP 57 2HB ASP 57 -7.609 1.166 -15.284 468 2HB ASP 57 1HB ASP 57 -6.831 1.392 -16.848 469 H GLY 58 H GLY 58 -6.137 1.742 -13.251 470 1HA GLY 58 2HA GLY 58 -5.176 4.286 -13.864 471 2HA GLY 58 1HA GLY 58 -5.413 3.667 -12.237 472 H ASP 59 H ASP 59 -3.311 5.414 -13.347 473 HA ASP 59 HA ASP 59 -0.929 3.736 -13.085 474 1HB ASP 59 2HB ASP 59 -1.556 6.241 -14.441 475 2HB ASP 59 1HB ASP 59 -0.065 6.339 -13.509 476 H GLY 60 H GLY 60 0.235 3.665 -11.274 477 1HA GLY 60 2HA GLY 60 -0.626 5.136 -8.963 478 2HA GLY 60 1HA GLY 60 0.699 3.987 -9.033 479 H VAL 61 H VAL 61 1.603 5.791 -11.452 480 HA VAL 61 HA VAL 61 3.678 7.097 -10.191 481 HB VAL 61 HB VAL 61 2.380 8.007 -12.760 482 1HG1 VAL 61 1HG1 VAL 61 5.184 8.232 -11.691 483 2HG1 VAL 61 2HG1 VAL 61 4.039 9.545 -11.962 484 3HG1 VAL 61 3HG1 VAL 61 4.699 8.654 -13.333 485 1HG2 VAL 61 1HG2 VAL 61 4.213 5.699 -12.193 486 2HG2 VAL 61 2HG2 VAL 61 4.148 6.462 -13.781 487 3HG2 VAL 61 3HG2 VAL 61 2.703 5.715 -13.105 488 H ASN 62 H ASN 62 0.521 8.405 -11.167 489 HA ASN 62 HA ASN 62 1.140 10.959 -9.922 490 1HB ASN 62 2HB ASN 62 -0.621 10.066 -11.999 491 2HB ASN 62 1HB ASN 62 -1.566 10.888 -10.762 492 1HD2 ASN 62 1HD2 ASN 62 1.319 11.224 -12.770 493 2HD2 ASN 62 2HD2 ASN 62 1.227 12.941 -12.926 494 H PHE 63 H PHE 63 -0.051 8.027 -8.873 495 HA PHE 63 HA PHE 63 -2.137 8.940 -7.148 496 1HB PHE 63 2HB PHE 63 -2.006 6.608 -7.966 497 2HB PHE 63 1HB PHE 63 -0.542 6.373 -7.014 498 HD1 PHE 63 1HD PHE 63 -3.703 8.112 -6.122 499 HD2 PHE 63 2HD PHE 63 -1.112 4.815 -5.394 500 HE1 PHE 63 1HE PHE 63 -5.069 7.474 -4.180 501 HE2 PHE 63 2HE PHE 63 -2.476 4.169 -3.450 502 HZ PHE 63 HZ PHE 63 -4.459 5.501 -2.841 503 H ILE 64 H ILE 64 1.317 8.322 -6.766 504 HA ILE 64 HA ILE 64 1.589 8.367 -4.030 505 HB ILE 64 HB ILE 64 3.450 9.728 -5.983 506 1HG1 ILE 64 2HG1 ILE 64 4.425 7.191 -5.192 507 2HG1 ILE 64 1HG1 ILE 64 2.742 6.958 -5.654 508 1HG2 ILE 64 1HG2 ILE 64 5.156 9.037 -4.219 509 2HG2 ILE 64 2HG2 ILE 64 3.776 8.793 -3.147 510 3HG2 ILE 64 3HG2 ILE 64 4.096 10.390 -3.824 511 1HD1 ILE 64 1HD1 ILE 64 4.829 8.290 -7.361 512 2HD1 ILE 64 2HD1 ILE 64 3.167 7.924 -7.819 513 3HD1 ILE 64 3HD1 ILE 64 4.305 6.614 -7.511 514 H ASP 65 H ASP 65 0.800 11.006 -6.156 515 HA ASP 65 HA ASP 65 1.415 13.100 -4.321 516 1HB ASP 65 2HB ASP 65 0.849 13.035 -6.981 517 2HB ASP 65 1HB ASP 65 -0.686 13.606 -6.335 518 H PHE 66 H PHE 66 -1.498 11.256 -5.090 519 HA PHE 66 HA PHE 66 -3.313 12.762 -3.571 520 1HB PHE 66 2HB PHE 66 -4.159 11.124 -5.118 521 2HB PHE 66 1HB PHE 66 -3.288 9.827 -4.306 522 HD1 PHE 66 1HD PHE 66 -4.002 9.121 -2.018 523 HD2 PHE 66 2HD PHE 66 -6.303 11.789 -4.405 524 HE1 PHE 66 1HE PHE 66 -5.969 8.679 -0.610 525 HE2 PHE 66 2HE PHE 66 -8.276 11.352 -3.001 526 HZ PHE 66 HZ PHE 66 -8.110 9.794 -1.099 527 H ILE 67 H ILE 67 -1.230 10.028 -2.728 528 HA ILE 67 HA ILE 67 -2.111 9.626 -0.110 529 HB ILE 67 HB ILE 67 0.599 9.193 -1.367 530 1HG1 ILE 67 2HG1 ILE 67 -0.185 6.758 -0.930 531 2HG1 ILE 67 1HG1 ILE 67 -1.784 7.469 -0.737 532 1HG2 ILE 67 1HG2 ILE 67 1.323 9.289 0.792 533 2HG2 ILE 67 2HG2 ILE 67 0.763 7.617 0.764 534 3HG2 ILE 67 3HG2 ILE 67 -0.256 8.878 1.458 535 1HD1 ILE 67 1HD1 ILE 67 -0.205 8.108 -3.176 536 2HD1 ILE 67 2HD1 ILE 67 -1.953 8.020 -2.951 537 3HD1 ILE 67 3HD1 ILE 67 -0.999 6.540 -3.043 538 H LYS 68 H LYS 68 0.314 11.866 -1.411 539 HA LYS 68 HA LYS 68 0.926 12.908 1.215 540 1HB LYS 68 2HB LYS 68 1.710 13.965 -1.510 541 2HB LYS 68 1HB LYS 68 2.392 14.469 0.031 542 1HG LYS 68 2HG LYS 68 2.739 11.731 0.038 543 2HG LYS 68 1HG LYS 68 3.046 12.189 -1.639 544 1HD LYS 68 2HD LYS 68 4.945 13.291 -1.123 545 2HD LYS 68 1HD LYS 68 4.281 13.936 0.379 546 1HE LYS 68 2HE LYS 68 4.729 11.035 0.375 547 2HE LYS 68 1HE LYS 68 6.192 12.006 0.225 548 1HZ LYS 68 1HZ LYS 68 4.298 12.847 2.264 549 2HZ LYS 68 2HZ LYS 68 5.989 12.796 2.311 550 3HZ LYS 68 3HZ LYS 68 5.092 11.382 2.553 551 H GLU 69 H GLU 69 -1.279 13.590 -1.351 552 HA GLU 69 HA GLU 69 -1.805 16.308 -0.790 553 1HB GLU 69 2HB GLU 69 -2.441 15.015 -2.875 554 2HB GLU 69 1HB GLU 69 -3.766 14.338 -1.942 555 1HG GLU 69 2HG GLU 69 -4.896 16.336 -1.831 556 2HG GLU 69 1HG GLU 69 -3.438 17.294 -2.083 557 H ASN 70 H ASN 70 -2.818 13.343 0.680 558 HA ASN 70 HA ASN 70 -4.350 14.878 2.649 559 1HB ASN 70 2HB ASN 70 -5.841 12.628 2.605 560 2HB ASN 70 1HB ASN 70 -6.236 14.067 1.671 561 1HD2 ASN 70 1HD2 ASN 70 -5.193 14.135 -0.533 562 2HD2 ASN 70 2HD2 ASN 70 -5.186 12.662 -1.435 563 H SER 71 H SER 71 -1.694 13.319 2.362 564 HA SER 71 HA SER 71 -1.632 12.368 5.037 565 1HB SER 71 2HB SER 71 -2.262 10.451 2.937 566 2HB SER 71 1HB SER 71 -0.804 10.006 3.821 567 HG SER 71 HG SER 71 -3.261 9.623 4.584 568 HA PRO 72 HA PRO 72 2.371 13.684 3.013 569 1HB PRO 72 2HB PRO 72 2.564 15.445 5.348 570 2HB PRO 72 1HB PRO 72 2.682 15.848 3.633 571 1HG PRO 72 2HG PRO 72 0.561 16.565 5.135 572 2HG PRO 72 1HG PRO 72 0.415 16.166 3.414 573 1HD PRO 72 2HD PRO 72 -0.242 14.501 5.812 574 2HD PRO 72 1HD PRO 72 -1.124 14.668 4.277 575 H ASP 73 H ASP 73 1.357 12.644 6.106 576 HA ASP 73 HA ASP 73 4.083 11.797 6.800 577 1HB ASP 73 2HB ASP 73 2.118 13.088 8.323 578 2HB ASP 73 1HB ASP 73 2.199 11.442 8.941 579 H SER 74 H SER 74 2.638 10.351 4.873 580 HA SER 74 HA SER 74 2.036 7.869 6.343 581 1HB SER 74 2HB SER 74 0.012 8.663 5.301 582 2HB SER 74 1HB SER 74 0.840 8.898 3.762 583 HG SER 74 HG SER 74 -0.190 6.968 3.593 584 H VAL 75 H VAL 75 2.177 5.933 4.684 585 HA VAL 75 HA VAL 75 4.836 6.109 3.446 586 HB VAL 75 HB VAL 75 3.488 3.516 4.163 587 1HG1 VAL 75 1HG1 VAL 75 6.165 3.253 4.622 588 2HG1 VAL 75 2HG1 VAL 75 6.143 4.395 3.279 589 3HG1 VAL 75 3HG1 VAL 75 5.356 2.825 3.117 590 1HG2 VAL 75 1HG2 VAL 75 3.498 4.993 6.166 591 2HG2 VAL 75 2HG2 VAL 75 5.252 5.100 6.024 592 3HG2 VAL 75 3HG2 VAL 75 4.486 3.544 6.344 593 H VAL 76 H VAL 76 4.985 4.184 1.691 594 HA VAL 76 HA VAL 76 2.631 3.865 0.085 595 HB VAL 76 HB VAL 76 4.863 5.110 -1.430 596 1HG1 VAL 76 1HG1 VAL 76 3.294 4.811 -2.979 597 2HG1 VAL 76 2HG1 VAL 76 2.454 6.179 -2.249 598 3HG1 VAL 76 3HG1 VAL 76 2.041 4.533 -1.770 599 1HG2 VAL 76 1HG2 VAL 76 2.908 6.774 0.145 600 2HG2 VAL 76 2HG2 VAL 76 4.133 7.367 -0.976 601 3HG2 VAL 76 3HG2 VAL 76 4.620 6.582 0.526 602 H ILE 77 H ILE 77 3.303 1.680 0.664 603 HA ILE 77 HA ILE 77 5.775 0.565 -0.051 604 HB ILE 77 HB ILE 77 3.145 -0.902 0.097 605 1HG1 ILE 77 2HG1 ILE 77 3.511 0.478 2.109 606 2HG1 ILE 77 1HG1 ILE 77 3.625 -1.238 2.469 607 1HG2 ILE 77 1HG2 ILE 77 4.307 -2.832 0.105 608 2HG2 ILE 77 2HG2 ILE 77 5.649 -2.141 1.020 609 3HG2 ILE 77 3HG2 ILE 77 5.530 -1.862 -0.718 610 1HD1 ILE 77 1HD1 ILE 77 6.198 -0.099 1.791 611 2HD1 ILE 77 2HD1 ILE 77 5.706 -1.028 3.208 612 3HD1 ILE 77 3HD1 ILE 77 5.440 0.715 3.161 613 H VAL 78 H VAL 78 2.647 0.413 -1.757 614 HA VAL 78 HA VAL 78 2.122 -0.215 -3.890 615 HB VAL 78 HB VAL 78 4.609 1.290 -4.692 616 1HG1 VAL 78 1HG1 VAL 78 1.876 1.127 -5.961 617 2HG1 VAL 78 2HG1 VAL 78 3.266 0.154 -6.444 618 3HG1 VAL 78 3HG1 VAL 78 3.310 1.908 -6.627 619 1HG2 VAL 78 1HG2 VAL 78 2.158 2.270 -3.347 620 2HG2 VAL 78 2HG2 VAL 78 2.769 3.223 -4.700 621 3HG2 VAL 78 3HG2 VAL 78 3.804 2.902 -3.309 622 H ILE 79 H ILE 79 2.451 -2.435 -3.799 623 HA ILE 79 HA ILE 79 5.063 -3.449 -4.680 624 HB ILE 79 HB ILE 79 2.788 -5.106 -3.612 625 1HG1 ILE 79 2HG1 ILE 79 5.048 -3.887 -2.018 626 2HG1 ILE 79 1HG1 ILE 79 3.377 -3.331 -1.983 627 1HG2 ILE 79 1HG2 ILE 79 4.944 -6.425 -2.858 628 2HG2 ILE 79 2HG2 ILE 79 5.662 -5.550 -4.211 629 3HG2 ILE 79 3HG2 ILE 79 4.273 -6.604 -4.480 630 1HD1 ILE 79 1HD1 ILE 79 3.508 -4.655 -0.106 631 2HD1 ILE 79 2HD1 ILE 79 4.560 -5.837 -0.884 632 3HD1 ILE 79 3HD1 ILE 79 2.847 -5.771 -1.301 633 H THR 80 H THR 80 4.977 -5.435 -6.081 634 HA THR 80 HA THR 80 4.240 -6.661 -7.870 635 HB THR 80 HB THR 80 1.828 -4.892 -8.169 636 HG1 THR 80 1HG THR 80 0.788 -6.449 -6.777 637 1HG2 THR 80 1HG2 THR 80 1.034 -6.438 -9.548 638 2HG2 THR 80 2HG2 THR 80 1.506 -7.756 -8.477 639 3HG2 THR 80 3HG2 THR 80 2.677 -7.074 -9.605 640 H GLY 81 H GLY 81 4.510 -6.495 -10.090 641 1HA GLY 81 2HA GLY 81 4.316 -4.238 -11.678 642 2HA GLY 81 1HA GLY 81 5.925 -4.189 -10.971 643 H HIS 82 H HIS 82 3.921 -6.874 -12.171 644 HA HIS 82 HA HIS 82 6.004 -8.350 -13.256 645 1HB HIS 82 2HB HIS 82 3.053 -8.263 -13.751 646 2HB HIS 82 1HB HIS 82 4.070 -9.248 -14.797 647 HD1 HIS 82 1HD HIS 82 5.121 -11.365 -13.779 648 HD2 HIS 82 2HD HIS 82 2.783 -9.198 -11.114 649 HE1 HIS 82 1HE HIS 82 4.781 -12.877 -11.799 650 HE2 HIS 82 2HE HIS 82 3.281 -11.580 -10.243 651 H GLY 83 H GLY 83 3.569 -6.882 -15.385 652 1HA GLY 83 2HA GLY 83 5.643 -6.503 -17.405 653 2HA GLY 83 1HA GLY 83 3.909 -6.382 -17.660 654 H SER 84 H SER 84 6.038 -4.756 -15.323 655 HA SER 84 HA SER 84 6.181 -2.287 -16.618 656 1HB SER 84 2HB SER 84 4.521 -1.180 -14.823 657 2HB SER 84 1HB SER 84 3.976 -1.703 -16.417 658 HG SER 84 HG SER 84 3.927 -3.418 -14.170 659 H VAL 85 H VAL 85 8.071 -3.625 -15.337 660 HA VAL 85 HA VAL 85 8.389 -3.140 -12.589 661 HB VAL 85 HB VAL 85 10.601 -3.397 -14.632 662 1HG1 VAL 85 1HG1 VAL 85 11.588 -2.718 -12.629 663 2HG1 VAL 85 2HG1 VAL 85 11.731 -4.476 -12.596 664 3HG1 VAL 85 3HG1 VAL 85 10.478 -3.675 -11.649 665 1HG2 VAL 85 1HG2 VAL 85 8.638 -5.222 -14.307 666 2HG2 VAL 85 2HG2 VAL 85 9.773 -5.750 -13.066 667 3HG2 VAL 85 3HG2 VAL 85 10.298 -5.629 -14.745 668 H ASP 86 H ASP 86 9.038 -1.169 -15.406 669 HA ASP 86 HA ASP 86 10.702 0.758 -14.201 670 1HB ASP 86 2HB ASP 86 10.424 0.547 -16.640 671 2HB ASP 86 1HB ASP 86 8.759 1.104 -16.497 672 H THR 87 H THR 87 7.198 0.363 -14.248 673 HA THR 87 HA THR 87 6.385 2.888 -13.463 674 HB THR 87 HB THR 87 5.038 0.663 -13.942 675 HG1 THR 87 1HG THR 87 4.123 2.580 -12.066 676 1HG2 THR 87 1HG2 THR 87 5.879 -0.375 -11.763 677 2HG2 THR 87 2HG2 THR 87 4.154 -0.473 -12.112 678 3HG2 THR 87 3HG2 THR 87 4.755 0.721 -10.961 679 H ALA 88 H ALA 88 7.854 0.314 -11.620 680 HA ALA 88 HA ALA 88 7.417 1.212 -9.022 681 1HB ALA 88 1HB ALA 88 9.754 -0.269 -10.218 682 2HB ALA 88 2HB ALA 88 8.359 -0.957 -9.391 683 3HB ALA 88 3HB ALA 88 9.540 -0.011 -8.489 684 H VAL 89 H VAL 89 10.327 1.689 -10.993 685 HA VAL 89 HA VAL 89 11.508 3.597 -9.318 686 HB VAL 89 HB VAL 89 12.976 4.110 -11.216 687 1HG1 VAL 89 1HG1 VAL 89 12.351 1.180 -10.885 688 2HG1 VAL 89 2HG1 VAL 89 13.466 2.138 -9.910 689 3HG1 VAL 89 3HG1 VAL 89 13.825 1.823 -11.609 690 1HG2 VAL 89 1HG2 VAL 89 12.631 3.332 -13.399 691 2HG2 VAL 89 2HG2 VAL 89 11.056 3.947 -12.901 692 3HG2 VAL 89 3HG2 VAL 89 11.367 2.212 -12.894 693 H LYS 90 H LYS 90 8.985 3.863 -11.658 694 HA LYS 90 HA LYS 90 9.271 6.726 -11.992 695 1HB LYS 90 2HB LYS 90 8.498 5.398 -13.878 696 2HB LYS 90 1HB LYS 90 7.142 4.802 -12.934 697 1HG LYS 90 2HG LYS 90 6.091 6.911 -12.926 698 2HG LYS 90 1HG LYS 90 7.541 7.719 -13.523 699 1HD LYS 90 2HD LYS 90 7.264 6.165 -15.577 700 2HD LYS 90 1HD LYS 90 5.612 5.962 -14.994 701 1HE LYS 90 2HE LYS 90 6.221 8.732 -14.936 702 2HE LYS 90 1HE LYS 90 6.720 8.102 -16.506 703 1HZ LYS 90 1HZ LYS 90 4.570 8.455 -16.997 704 2HZ LYS 90 2HZ LYS 90 4.059 8.391 -15.386 705 3HZ LYS 90 3HZ LYS 90 4.331 6.958 -16.243 706 H ALA 91 H ALA 91 7.525 4.518 -9.975 707 HA ALA 91 HA ALA 91 5.740 6.640 -9.039 708 1HB ALA 91 1HB ALA 91 4.753 4.681 -7.694 709 2HB ALA 91 2HB ALA 91 5.733 3.658 -8.746 710 3HB ALA 91 3HB ALA 91 4.501 4.712 -9.439 711 H ILE 92 H ILE 92 8.514 4.784 -8.062 712 HA ILE 92 HA ILE 92 8.245 5.595 -5.285 713 HB ILE 92 HB ILE 92 10.003 4.159 -4.746 714 1HG1 ILE 92 2HG1 ILE 92 10.791 4.200 -7.669 715 2HG1 ILE 92 1HG1 ILE 92 11.679 4.922 -6.332 716 1HG2 ILE 92 1HG2 ILE 92 9.475 2.194 -6.612 717 2HG2 ILE 92 2HG2 ILE 92 8.033 3.204 -6.659 718 3HG2 ILE 92 3HG2 ILE 92 8.565 2.501 -5.134 719 1HD1 ILE 92 1HD1 ILE 92 11.815 2.261 -7.376 720 2HD1 ILE 92 2HD1 ILE 92 11.356 2.217 -5.674 721 3HD1 ILE 92 3HD1 ILE 92 12.835 3.041 -6.167 722 H LYS 93 H LYS 93 9.698 6.774 -8.133 723 HA LYS 93 HA LYS 93 11.893 8.152 -6.943 724 1HB LYS 93 2HB LYS 93 10.636 7.989 -9.594 725 2HB LYS 93 1HB LYS 93 11.328 9.562 -9.229 726 1HG LYS 93 2HG LYS 93 13.432 8.256 -8.553 727 2HG LYS 93 1HG LYS 93 12.698 6.909 -9.426 728 1HD LYS 93 2HD LYS 93 12.402 8.960 -11.204 729 2HD LYS 93 1HD LYS 93 13.940 9.365 -10.438 730 1HE LYS 93 2HE LYS 93 13.208 6.790 -11.824 731 2HE LYS 93 1HE LYS 93 14.374 7.998 -12.363 732 1HZ LYS 93 1HZ LYS 93 15.341 7.408 -9.956 733 2HZ LYS 93 2HZ LYS 93 15.820 6.614 -11.373 734 3HZ LYS 93 3HZ LYS 93 14.655 5.917 -10.364 735 H LYS 94 H LYS 94 8.525 8.877 -7.528 736 HA LYS 94 HA LYS 94 8.629 11.664 -7.110 737 1HB LYS 94 2HB LYS 94 6.717 10.481 -8.145 738 2HB LYS 94 1HB LYS 94 6.329 9.778 -6.580 739 1HG LYS 94 2HG LYS 94 5.693 11.850 -5.684 740 2HG LYS 94 1HG LYS 94 6.453 12.744 -7.001 741 1HD LYS 94 2HD LYS 94 4.174 10.842 -7.474 742 2HD LYS 94 1HD LYS 94 3.907 12.532 -7.040 743 1HE LYS 94 2HE LYS 94 5.826 12.105 -9.220 744 2HE LYS 94 1HE LYS 94 4.175 11.604 -9.582 745 1HZ LYS 94 1HZ LYS 94 5.255 14.265 -9.172 746 2HZ LYS 94 2HZ LYS 94 3.745 13.982 -8.466 747 3HZ LYS 94 3HZ LYS 94 3.957 13.759 -10.130 748 H GLY 95 H GLY 95 7.445 9.130 -4.879 749 1HA GLY 95 2HA GLY 95 8.899 10.045 -2.656 750 2HA GLY 95 1HA GLY 95 7.318 10.809 -2.631 751 H ALA 96 H ALA 96 7.926 7.550 -3.831 752 HA ALA 96 HA ALA 96 6.055 6.535 -1.846 753 1HB ALA 96 1HB ALA 96 5.608 4.826 -3.269 754 2HB ALA 96 2HB ALA 96 7.286 4.677 -3.791 755 3HB ALA 96 3HB ALA 96 6.267 5.956 -4.453 756 H TYR 97 H TYR 97 6.713 4.090 -1.229 757 HA TYR 97 HA TYR 97 9.241 4.379 0.216 758 1HB TYR 97 2HB TYR 97 7.017 3.825 1.356 759 2HB TYR 97 1HB TYR 97 7.186 2.224 0.647 760 HD1 TYR 97 1HD TYR 97 8.745 0.640 1.528 761 HD2 TYR 97 2HD TYR 97 8.637 4.611 3.047 762 HE1 TYR 97 1HE TYR 97 10.156 -0.054 3.420 763 HE2 TYR 97 2HE TYR 97 10.046 3.930 4.944 764 HH TYR 97 HH TYR 97 11.693 0.959 5.039 765 H GLU 98 H GLU 98 9.077 3.674 -2.611 766 HA GLU 98 HA GLU 98 10.189 2.345 -4.079 767 1HB GLU 98 2HB GLU 98 12.003 2.418 -2.387 768 2HB GLU 98 1HB GLU 98 11.327 0.979 -1.644 769 1HG GLU 98 2HG GLU 98 12.733 -0.147 -2.942 770 2HG GLU 98 1HG GLU 98 11.598 0.201 -4.245 771 H PHE 99 H PHE 99 9.554 0.662 -5.269 772 HA PHE 99 HA PHE 99 7.328 -0.874 -4.525 773 1HB PHE 99 2HB PHE 99 9.191 -0.763 -6.812 774 2HB PHE 99 1HB PHE 99 8.367 -2.297 -6.590 775 HD1 PHE 99 1HD PHE 99 7.171 1.184 -6.041 776 HD2 PHE 99 2HD PHE 99 6.778 -2.425 -8.260 777 HE1 PHE 99 1HE PHE 99 5.197 2.106 -7.184 778 HE2 PHE 99 2HE PHE 99 4.802 -1.509 -9.407 779 HZ PHE 99 HZ PHE 99 4.009 0.759 -8.867 780 H LEU 100 H LEU 100 7.116 -2.793 -3.523 781 HA LEU 100 HA LEU 100 9.401 -4.009 -2.311 782 1HB LEU 100 2HB LEU 100 6.956 -3.825 -1.442 783 2HB LEU 100 1HB LEU 100 6.674 -5.251 -2.422 784 HG LEU 100 HG LEU 100 7.078 -5.968 -0.182 785 1HD1 LEU 100 1HD1 LEU 100 8.139 -7.213 -2.098 786 2HD1 LEU 100 2HD1 LEU 100 8.846 -7.498 -0.508 787 3HD1 LEU 100 3HD1 LEU 100 9.655 -6.429 -1.655 788 1HD2 LEU 100 1HD2 LEU 100 9.305 -4.004 -0.324 789 2HD2 LEU 100 2HD2 LEU 100 9.510 -5.432 0.692 790 3HD2 LEU 100 3HD2 LEU 100 8.164 -4.330 0.981 791 H GLU 101 H GLU 101 10.596 -4.554 -4.234 792 HA GLU 101 HA GLU 101 9.791 -6.120 -6.342 793 1HB GLU 101 2HB GLU 101 12.476 -6.288 -4.966 794 2HB GLU 101 1HB GLU 101 12.124 -6.742 -6.628 795 1HG GLU 101 2HG GLU 101 12.073 -3.979 -5.444 796 2HG GLU 101 1HG GLU 101 13.213 -4.619 -6.627 797 H LYS 102 H LYS 102 10.770 -8.431 -6.717 798 HA LYS 102 HA LYS 102 10.637 -10.660 -6.305 799 1HB LYS 102 2HB LYS 102 11.779 -9.572 -4.011 800 2HB LYS 102 1HB LYS 102 10.490 -10.597 -3.399 801 1HG LYS 102 2HG LYS 102 12.614 -11.506 -5.327 802 2HG LYS 102 1HG LYS 102 12.681 -11.734 -3.579 803 1HD LYS 102 2HD LYS 102 10.943 -13.264 -3.583 804 2HD LYS 102 1HD LYS 102 10.294 -12.676 -5.114 805 1HE LYS 102 2HE LYS 102 11.262 -14.573 -5.888 806 2HE LYS 102 1HE LYS 102 12.678 -13.525 -5.967 807 1HZ LYS 102 1HZ LYS 102 12.667 -15.871 -4.733 808 2HZ LYS 102 2HZ LYS 102 12.229 -14.880 -3.435 809 3HZ LYS 102 3HZ LYS 102 13.672 -14.592 -4.270 810 HA PRO 103 HA PRO 103 6.098 -10.242 -5.526 811 1HB PRO 103 2HB PRO 103 5.326 -11.574 -7.753 812 2HB PRO 103 1HB PRO 103 5.716 -9.850 -7.761 813 1HG PRO 103 2HG PRO 103 7.408 -12.178 -8.586 814 2HG PRO 103 1HG PRO 103 7.195 -10.610 -9.387 815 1HD PRO 103 2HD PRO 103 9.348 -11.186 -7.840 816 2HD PRO 103 1HD PRO 103 8.678 -9.549 -7.981 817 H PHE 104 H PHE 104 4.432 -12.017 -5.437 818 HA PHE 104 HA PHE 104 3.741 -13.989 -4.541 819 1HB PHE 104 2HB PHE 104 5.213 -14.606 -6.788 820 2HB PHE 104 1HB PHE 104 5.946 -15.628 -5.556 821 HD1 PHE 104 1HD PHE 104 3.285 -15.292 -7.860 822 HD2 PHE 104 2HD PHE 104 4.327 -17.043 -4.123 823 HE1 PHE 104 1HE PHE 104 1.437 -16.898 -8.102 824 HE2 PHE 104 2HE PHE 104 2.481 -18.652 -4.359 825 HZ PHE 104 HZ PHE 104 1.032 -18.580 -6.349 826 H SER 105 H SER 105 5.851 -12.350 -3.163 827 HA SER 105 HA SER 105 6.481 -14.322 -1.122 828 1HB SER 105 2HB SER 105 8.861 -13.138 -1.061 829 2HB SER 105 1HB SER 105 8.557 -14.530 -2.099 830 HG SER 105 HG SER 105 8.225 -11.856 -2.970 831 H VAL 106 H VAL 106 4.594 -12.716 -0.575 832 HA VAL 106 HA VAL 106 5.024 -10.076 0.141 833 HB VAL 106 HB VAL 106 2.804 -11.083 0.119 834 1HG1 VAL 106 1HG1 VAL 106 2.221 -12.384 2.309 835 2HG1 VAL 106 2HG1 VAL 106 3.950 -12.737 2.318 836 3HG1 VAL 106 3HG1 VAL 106 2.960 -13.220 0.943 837 1HG2 VAL 106 1HG2 VAL 106 3.276 -10.172 2.938 838 2HG2 VAL 106 2HG2 VAL 106 1.893 -9.862 1.888 839 3HG2 VAL 106 3HG2 VAL 106 3.434 -9.064 1.576 840 H GLU 107 H GLU 107 6.050 -12.986 1.765 841 HA GLU 107 HA GLU 107 6.397 -12.224 4.357 842 1HB GLU 107 2HB GLU 107 7.022 -14.423 3.197 843 2HB GLU 107 1HB GLU 107 8.572 -13.661 2.863 844 1HG GLU 107 2HG GLU 107 8.778 -13.249 5.326 845 2HG GLU 107 1HG GLU 107 7.358 -14.273 5.537 846 H ARG 108 H ARG 108 8.265 -11.224 1.566 847 HA ARG 108 HA ARG 108 10.347 -9.940 3.040 848 1HB ARG 108 2HB ARG 108 9.699 -10.422 0.279 849 2HB ARG 108 1HB ARG 108 10.109 -8.726 0.495 850 1HG ARG 108 2HG ARG 108 12.273 -9.177 1.075 851 2HG ARG 108 1HG ARG 108 11.884 -10.776 1.710 852 1HD ARG 108 2HD ARG 108 12.077 -11.774 -0.312 853 2HD ARG 108 1HD ARG 108 11.429 -10.381 -1.178 854 HE ARG 108 HE ARG 108 13.567 -9.637 -1.497 855 1HH1 ARG 108 1HH1 ARG 108 13.585 -12.033 1.040 856 2HH1 ARG 108 2HH1 ARG 108 15.312 -12.094 1.142 857 1HH2 ARG 108 1HH2 ARG 108 15.839 -9.714 -1.363 858 2HH2 ARG 108 2HH2 ARG 108 16.593 -10.776 -0.221 859 H PHE 109 H PHE 109 7.260 -8.974 1.692 860 HA PHE 109 HA PHE 109 7.485 -6.197 1.963 861 1HB PHE 109 2HB PHE 109 5.667 -7.070 0.685 862 2HB PHE 109 1HB PHE 109 5.106 -8.058 2.026 863 HD1 PHE 109 1HD PHE 109 6.115 -4.535 2.361 864 HD2 PHE 109 2HD PHE 109 2.868 -7.267 2.050 865 HE1 PHE 109 1HE PHE 109 4.557 -2.755 3.021 866 HE2 PHE 109 2HE PHE 109 1.302 -5.489 2.708 867 HZ PHE 109 HZ PHE 109 2.146 -3.226 3.195 868 H LEU 110 H LEU 110 6.804 -8.721 4.272 869 HA LEU 110 HA LEU 110 5.643 -7.384 6.365 870 1HB LEU 110 2HB LEU 110 6.663 -9.854 6.011 871 2HB LEU 110 1HB LEU 110 7.836 -9.182 7.126 872 HG LEU 110 HG LEU 110 4.913 -8.990 7.737 873 1HD1 LEU 110 1HD1 LEU 110 5.263 -11.112 9.082 874 2HD1 LEU 110 2HD1 LEU 110 6.689 -11.387 8.083 875 3HD1 LEU 110 3HD1 LEU 110 5.093 -11.302 7.337 876 1HD2 LEU 110 1HD2 LEU 110 7.489 -8.711 9.175 877 2HD2 LEU 110 2HD2 LEU 110 6.123 -9.375 10.070 878 3HD2 LEU 110 3HD2 LEU 110 5.997 -7.782 9.326 879 H LEU 111 H LEU 111 9.116 -7.638 5.684 880 HA LEU 111 HA LEU 111 10.053 -6.169 7.857 881 1HB LEU 111 2HB LEU 111 11.194 -6.406 5.076 882 2HB LEU 111 1HB LEU 111 12.055 -5.733 6.446 883 HG LEU 111 HG LEU 111 11.481 -8.082 7.526 884 1HD1 LEU 111 1HD1 LEU 111 11.075 -8.457 4.610 885 2HD1 LEU 111 2HD1 LEU 111 10.288 -9.247 5.976 886 3HD1 LEU 111 3HD1 LEU 111 11.919 -9.723 5.502 887 1HD2 LEU 111 1HD2 LEU 111 13.721 -6.893 6.622 888 2HD2 LEU 111 2HD2 LEU 111 13.663 -8.298 5.558 889 3HD2 LEU 111 3HD2 LEU 111 13.682 -8.517 7.308 890 H THR 112 H THR 112 9.517 -5.005 4.529 891 HA THR 112 HA THR 112 10.057 -2.354 4.805 892 HB THR 112 HB THR 112 7.766 -3.575 3.255 893 HG1 THR 112 1HG THR 112 9.705 -4.444 2.611 894 1HG2 THR 112 1HG2 THR 112 9.109 -1.197 2.195 895 2HG2 THR 112 2HG2 THR 112 8.082 -0.918 3.602 896 3HG2 THR 112 3HG2 THR 112 7.408 -1.664 2.153 897 H ILE 113 H ILE 113 7.102 -3.998 5.801 898 HA ILE 113 HA ILE 113 5.567 -1.743 6.458 899 HB ILE 113 HB ILE 113 5.548 -4.543 7.581 900 1HG1 ILE 113 2HG1 ILE 113 4.845 -4.223 5.228 901 2HG1 ILE 113 1HG1 ILE 113 3.528 -4.787 6.252 902 1HG2 ILE 113 1HG2 ILE 113 4.719 -3.067 9.322 903 2HG2 ILE 113 2HG2 ILE 113 3.394 -4.004 8.630 904 3HG2 ILE 113 3HG2 ILE 113 3.608 -2.313 8.178 905 1HD1 ILE 113 1HD1 ILE 113 3.152 -2.131 6.418 906 2HD1 ILE 113 2HD1 ILE 113 2.393 -3.161 5.204 907 3HD1 ILE 113 3HD1 ILE 113 3.850 -2.252 4.804 908 H LYS 114 H LYS 114 7.134 -3.885 8.834 909 HA LYS 114 HA LYS 114 7.052 -2.114 10.979 910 1HB LYS 114 2HB LYS 114 7.520 -4.460 11.303 911 2HB LYS 114 1HB LYS 114 8.994 -4.342 10.359 912 1HG LYS 114 2HG LYS 114 8.710 -2.666 12.806 913 2HG LYS 114 1HG LYS 114 9.052 -4.387 12.981 914 1HD LYS 114 2HD LYS 114 10.717 -2.294 11.595 915 2HD LYS 114 1HD LYS 114 11.145 -3.273 12.994 916 1HE LYS 114 2HE LYS 114 10.574 -5.160 11.087 917 2HE LYS 114 1HE LYS 114 11.334 -3.878 10.145 918 1HZ LYS 114 1HZ LYS 114 13.175 -3.925 11.796 919 2HZ LYS 114 2HZ LYS 114 13.025 -5.348 10.895 920 3HZ LYS 114 3HZ LYS 114 12.470 -5.296 12.493 921 H HIS 115 H HIS 115 9.107 -2.177 8.228 922 HA HIS 115 HA HIS 115 11.155 -0.488 9.393 923 1HB HIS 115 2HB HIS 115 10.725 -1.626 6.643 924 2HB HIS 115 1HB HIS 115 11.992 -0.451 6.979 925 HD1 HIS 115 1HD HIS 115 12.759 -1.690 9.804 926 HD2 HIS 115 2HD HIS 115 12.434 -3.757 6.215 927 HE1 HIS 115 1HE HIS 115 14.182 -3.744 10.082 928 HE2 HIS 115 2HE HIS 115 13.873 -5.038 7.942 929 H ALA 116 H ALA 116 8.184 -0.139 7.724 930 HA ALA 116 HA ALA 116 8.738 2.552 6.783 931 1HB ALA 116 1HB ALA 116 6.109 2.281 6.359 932 2HB ALA 116 2HB ALA 116 6.564 0.580 6.441 933 3HB ALA 116 3HB ALA 116 7.333 1.642 5.261 934 H PHE 117 H PHE 117 6.679 0.974 9.205 935 HA PHE 117 HA PHE 117 5.420 3.276 10.182 936 1HB PHE 117 2HB PHE 117 5.942 0.544 11.278 937 2HB PHE 117 1HB PHE 117 5.319 1.789 12.356 938 HD1 PHE 117 1HD PHE 117 3.216 3.070 11.500 939 HD2 PHE 117 2HD PHE 117 4.466 -0.729 10.047 940 HE1 PHE 117 1HE PHE 117 0.935 2.636 10.690 941 HE2 PHE 117 2HE PHE 117 2.189 -1.170 9.235 942 HZ PHE 117 HZ PHE 117 0.419 0.514 9.554 943 H GLU 118 H GLU 118 8.633 2.105 10.628 944 HA GLU 118 HA GLU 118 9.347 3.130 13.093 945 1HB GLU 118 2HB GLU 118 11.037 3.114 10.588 946 2HB GLU 118 1HB GLU 118 11.636 3.227 12.238 947 1HG GLU 118 2HG GLU 118 10.183 0.958 12.393 948 2HG GLU 118 1HG GLU 118 10.710 0.896 10.712 949 H GLU 119 H GLU 119 8.628 4.826 10.159 950 HA GLU 119 HA GLU 119 9.723 7.323 11.221 951 1HB GLU 119 2HB GLU 119 8.483 6.759 8.521 952 2HB GLU 119 1HB GLU 119 9.286 8.247 9.002 953 1HG GLU 119 2HG GLU 119 11.385 7.007 9.282 954 2HG GLU 119 1HG GLU 119 10.571 5.537 8.748 955 H TYR 120 H TYR 120 7.373 6.050 12.397 956 HA TYR 120 HA TYR 120 5.351 8.109 11.805 957 1HB TYR 120 2HB TYR 120 4.843 5.582 11.414 958 2HB TYR 120 1HB TYR 120 4.695 5.516 13.167 959 HD1 TYR 120 1HD TYR 120 2.716 6.206 14.228 960 HD2 TYR 120 2HD TYR 120 3.358 7.206 10.143 961 HE1 TYR 120 1HE TYR 120 0.395 7.002 14.064 962 HE2 TYR 120 2HE TYR 120 1.038 8.005 9.968 963 HH TYR 120 HH TYR 120 -1.171 7.529 11.206 964 H SER 121 H SER 121 7.643 8.273 13.651 965 HA SER 121 HA SER 121 6.118 8.829 16.104 966 1HB SER 121 2HB SER 121 7.418 6.784 16.478 967 2HB SER 121 1HB SER 121 8.890 7.617 15.977 968 HG SER 121 HG SER 121 7.277 8.456 18.150 Start of MODEL 21 1 1H MET 1 1HT MET 1 0.575 -0.118 17.065 2 2H MET 1 2HT MET 1 0.405 -1.682 17.751 3 3H MET 1 3HT MET 1 -0.514 -0.369 18.365 4 HA MET 1 HA MET 1 -1.689 -1.974 16.895 5 1HB MET 1 2HB MET 1 -1.904 0.749 17.337 6 2HB MET 1 1HB MET 1 -1.985 0.626 15.584 7 1HG MET 1 2HG MET 1 -4.167 0.312 15.944 8 2HG MET 1 1HG MET 1 -3.685 -1.346 16.298 9 1HE MET 1 1HE MET 1 -4.770 -1.968 19.717 10 2HE MET 1 2HE MET 1 -3.879 -2.498 18.290 11 3HE MET 1 3HE MET 1 -5.594 -2.107 18.164 12 H LYS 2 H LYS 2 -0.099 0.558 14.956 13 HA LYS 2 HA LYS 2 0.822 0.534 12.877 14 1HB LYS 2 2HB LYS 2 1.315 -2.413 13.281 15 2HB LYS 2 1HB LYS 2 2.230 -1.290 12.284 16 1HG LYS 2 2HG LYS 2 2.067 -0.853 15.232 17 2HG LYS 2 1HG LYS 2 3.169 -2.067 14.578 18 1HD LYS 2 2HD LYS 2 3.796 -0.039 12.965 19 2HD LYS 2 1HD LYS 2 3.244 0.889 14.361 20 1HE LYS 2 2HE LYS 2 4.821 -0.289 15.790 21 2HE LYS 2 1HE LYS 2 5.344 -1.277 14.426 22 1HZ LYS 2 1HZ LYS 2 6.800 0.668 15.000 23 2HZ LYS 2 2HZ LYS 2 5.566 1.678 14.439 24 3HZ LYS 2 3HZ LYS 2 6.309 0.584 13.383 25 H ARG 3 H ARG 3 -1.052 0.938 11.719 26 HA ARG 3 HA ARG 3 -2.399 -1.411 10.583 27 1HB ARG 3 2HB ARG 3 -4.364 -0.083 10.287 28 2HB ARG 3 1HB ARG 3 -3.819 0.094 11.947 29 1HG ARG 3 2HG ARG 3 -3.011 2.067 9.874 30 2HG ARG 3 1HG ARG 3 -4.598 2.154 10.635 31 1HD ARG 3 2HD ARG 3 -2.994 1.839 12.800 32 2HD ARG 3 1HD ARG 3 -1.938 2.757 11.729 33 HE ARG 3 HE ARG 3 -4.587 3.849 11.962 34 1HH1 ARG 3 1HH1 ARG 3 -1.387 3.780 13.351 35 2HH1 ARG 3 2HH1 ARG 3 -1.551 5.322 14.121 36 1HH2 ARG 3 1HH2 ARG 3 -4.805 5.878 12.974 37 2HH2 ARG 3 2HH2 ARG 3 -3.492 6.513 13.907 38 H VAL 4 H VAL 4 -2.442 -1.725 8.424 39 HA VAL 4 HA VAL 4 -1.282 0.400 6.736 40 HB VAL 4 HB VAL 4 -0.840 -2.560 6.350 41 1HG1 VAL 4 1HG1 VAL 4 1.085 -1.513 4.923 42 2HG1 VAL 4 2HG1 VAL 4 0.028 -0.103 4.902 43 3HG1 VAL 4 3HG1 VAL 4 -0.545 -1.643 4.262 44 1HG2 VAL 4 1HG2 VAL 4 1.149 -0.548 7.387 45 2HG2 VAL 4 2HG2 VAL 4 1.361 -2.293 7.237 46 3HG2 VAL 4 3HG2 VAL 4 0.229 -1.640 8.420 47 H LEU 5 H LEU 5 -1.966 0.430 4.528 48 HA LEU 5 HA LEU 5 -4.621 -0.777 4.158 49 1HB LEU 5 2HB LEU 5 -4.426 1.721 4.061 50 2HB LEU 5 1HB LEU 5 -3.419 1.535 2.635 51 HG LEU 5 HG LEU 5 -5.282 0.470 1.446 52 1HD1 LEU 5 1HD1 LEU 5 -7.570 0.853 2.685 53 2HD1 LEU 5 2HD1 LEU 5 -6.557 0.690 4.119 54 3HD1 LEU 5 3HD1 LEU 5 -6.626 -0.616 2.935 55 1HD2 LEU 5 1HD2 LEU 5 -6.904 2.592 1.818 56 2HD2 LEU 5 2HD2 LEU 5 -5.425 2.641 0.857 57 3HD2 LEU 5 3HD2 LEU 5 -5.411 3.206 2.527 58 H VAL 6 H VAL 6 -4.915 -2.287 2.666 59 HA VAL 6 HA VAL 6 -2.719 -2.797 0.773 60 HB VAL 6 HB VAL 6 -4.881 -4.712 1.663 61 1HG1 VAL 6 1HG1 VAL 6 -4.084 -5.272 -0.530 62 2HG1 VAL 6 2HG1 VAL 6 -3.382 -6.408 0.621 63 3HG1 VAL 6 3HG1 VAL 6 -2.407 -5.085 -0.020 64 1HG2 VAL 6 1HG2 VAL 6 -3.376 -5.679 3.160 65 2HG2 VAL 6 2HG2 VAL 6 -3.131 -3.947 3.388 66 3HG2 VAL 6 3HG2 VAL 6 -1.986 -4.880 2.426 67 H VAL 7 H VAL 7 -3.367 -1.367 -0.836 68 HA VAL 7 HA VAL 7 -6.038 -1.545 -1.926 69 HB VAL 7 HB VAL 7 -3.745 -0.011 -3.139 70 1HG1 VAL 7 1HG1 VAL 7 -6.735 0.371 -3.177 71 2HG1 VAL 7 2HG1 VAL 7 -5.725 -0.182 -4.514 72 3HG1 VAL 7 3HG1 VAL 7 -5.562 1.467 -3.909 73 1HG2 VAL 7 1HG2 VAL 7 -5.460 0.713 -0.780 74 2HG2 VAL 7 2HG2 VAL 7 -4.695 1.939 -1.791 75 3HG2 VAL 7 3HG2 VAL 7 -3.702 0.767 -0.924 76 H ASP 8 H ASP 8 -6.457 -3.331 -3.084 77 HA ASP 8 HA ASP 8 -4.686 -3.931 -5.341 78 1HB ASP 8 2HB ASP 8 -4.114 -5.510 -3.537 79 2HB ASP 8 1HB ASP 8 -5.798 -6.017 -3.449 80 H ASP 9 H ASP 9 -5.704 -4.666 -7.174 81 HA ASP 9 HA ASP 9 -8.597 -4.317 -7.212 82 1HB ASP 9 2HB ASP 9 -7.239 -3.148 -8.901 83 2HB ASP 9 1HB ASP 9 -6.640 -4.694 -9.492 84 H GLU 10 H GLU 10 -8.063 -6.552 -5.842 85 HA GLU 10 HA GLU 10 -9.491 -8.542 -7.191 86 1HB GLU 10 2HB GLU 10 -6.991 -8.525 -8.193 87 2HB GLU 10 1HB GLU 10 -6.746 -9.600 -6.825 88 1HG GLU 10 2HG GLU 10 -7.430 -11.224 -8.175 89 2HG GLU 10 1HG GLU 10 -9.052 -10.570 -7.951 90 H GLU 11 H GLU 11 -8.798 -10.840 -5.996 91 HA GLU 11 HA GLU 11 -8.627 -10.212 -3.125 92 1HB GLU 11 2HB GLU 11 -10.667 -11.813 -4.606 93 2HB GLU 11 1HB GLU 11 -10.215 -12.326 -2.986 94 1HG GLU 11 2HG GLU 11 -11.948 -10.970 -2.463 95 2HG GLU 11 1HG GLU 11 -10.652 -9.775 -2.450 96 H SER 12 H SER 12 -6.452 -10.986 -4.703 97 HA SER 12 HA SER 12 -6.046 -13.820 -4.074 98 1HB SER 12 2HB SER 12 -4.231 -12.019 -5.687 99 2HB SER 12 1HB SER 12 -4.208 -13.781 -5.616 100 HG SER 12 HG SER 12 -5.367 -13.481 -7.382 101 H ILE 13 H ILE 13 -4.620 -10.626 -3.549 102 HA ILE 13 HA ILE 13 -2.746 -11.771 -1.609 103 HB ILE 13 HB ILE 13 -2.896 -8.945 -2.668 104 1HG1 ILE 13 2HG1 ILE 13 -2.324 -10.617 -4.407 105 2HG1 ILE 13 1HG1 ILE 13 -0.986 -9.530 -4.056 106 1HG2 ILE 13 1HG2 ILE 13 -1.125 -10.326 -0.719 107 2HG2 ILE 13 2HG2 ILE 13 -1.759 -8.680 -0.703 108 3HG2 ILE 13 3HG2 ILE 13 -0.424 -9.100 -1.775 109 1HD1 ILE 13 1HD1 ILE 13 -1.287 -12.327 -2.991 110 2HD1 ILE 13 2HD1 ILE 13 0.072 -11.241 -2.701 111 3HD1 ILE 13 3HD1 ILE 13 -0.249 -11.838 -4.329 112 H THR 14 H THR 14 -5.338 -9.386 -1.880 113 HA THR 14 HA THR 14 -5.304 -8.207 0.586 114 HB THR 14 HB THR 14 -7.800 -8.030 0.365 115 HG1 THR 14 1HG THR 14 -8.802 -9.003 -1.304 116 1HG2 THR 14 1HG2 THR 14 -5.846 -6.869 -1.245 117 2HG2 THR 14 2HG2 THR 14 -7.495 -6.303 -0.975 118 3HG2 THR 14 3HG2 THR 14 -7.137 -7.359 -2.342 119 H SER 15 H SER 15 -6.260 -11.477 -0.183 120 HA SER 15 HA SER 15 -7.413 -11.921 2.437 121 1HB SER 15 2HB SER 15 -7.239 -13.422 -0.106 122 2HB SER 15 1HB SER 15 -7.252 -14.403 1.359 123 HG SER 15 HG SER 15 -9.175 -13.295 1.966 124 H SER 16 H SER 16 -4.551 -12.994 0.625 125 HA SER 16 HA SER 16 -3.515 -14.553 2.782 126 1HB SER 16 2HB SER 16 -1.347 -14.252 1.268 127 2HB SER 16 1HB SER 16 -2.664 -15.325 0.792 128 HG SER 16 HG SER 16 -1.762 -13.068 -0.408 129 H LEU 17 H LEU 17 -2.070 -11.693 1.226 130 HA LEU 17 HA LEU 17 -0.187 -11.051 3.083 131 1HB LEU 17 2HB LEU 17 -0.281 -9.853 1.034 132 2HB LEU 17 1HB LEU 17 -1.902 -9.278 1.358 133 HG LEU 17 HG LEU 17 0.141 -7.668 1.570 134 1HD1 LEU 17 1HD1 LEU 17 -2.048 -6.919 2.012 135 2HD1 LEU 17 2HD1 LEU 17 -1.060 -6.448 3.393 136 3HD1 LEU 17 3HD1 LEU 17 -2.141 -7.836 3.513 137 1HD2 LEU 17 1HD2 LEU 17 1.532 -7.868 3.299 138 2HD2 LEU 17 2HD2 LEU 17 0.907 -9.505 3.479 139 3HD2 LEU 17 3HD2 LEU 17 0.218 -8.190 4.428 140 H SER 18 H SER 18 -3.617 -10.140 3.199 141 HA SER 18 HA SER 18 -3.514 -8.481 5.442 142 1HB SER 18 2HB SER 18 -5.677 -10.229 4.295 143 2HB SER 18 1HB SER 18 -5.941 -9.327 5.786 144 HG SER 18 HG SER 18 -5.078 -8.164 3.348 145 H ALA 19 H ALA 19 -3.915 -11.992 5.209 146 HA ALA 19 HA ALA 19 -4.301 -12.546 7.922 147 1HB ALA 19 1HB ALA 19 -4.283 -14.053 5.704 148 2HB ALA 19 2HB ALA 19 -4.156 -14.728 7.329 149 3HB ALA 19 3HB ALA 19 -2.702 -14.481 6.361 150 H ILE 20 H ILE 20 -1.372 -12.100 6.029 151 HA ILE 20 HA ILE 20 0.502 -12.910 7.947 152 HB ILE 20 HB ILE 20 0.597 -11.189 5.516 153 1HG1 ILE 20 2HG1 ILE 20 2.703 -13.145 6.008 154 2HG1 ILE 20 1HG1 ILE 20 1.083 -13.832 6.077 155 1HG2 ILE 20 1HG2 ILE 20 2.598 -11.081 7.731 156 2HG2 ILE 20 2HG2 ILE 20 1.985 -9.781 6.709 157 3HG2 ILE 20 3HG2 ILE 20 3.138 -10.947 6.057 158 1HD1 ILE 20 1HD1 ILE 20 2.628 -13.243 3.807 159 2HD1 ILE 20 2HD1 ILE 20 1.270 -12.119 3.811 160 3HD1 ILE 20 3HD1 ILE 20 0.975 -13.856 3.874 161 H LEU 21 H LEU 21 -0.562 -9.586 7.152 162 HA LEU 21 HA LEU 21 0.786 -8.223 9.130 163 1HB LEU 21 2HB LEU 21 -2.000 -7.694 8.116 164 2HB LEU 21 1HB LEU 21 -0.990 -6.537 8.962 165 HG LEU 21 HG LEU 21 0.343 -7.657 6.635 166 1HD1 LEU 21 1HD1 LEU 21 -1.457 -7.736 5.307 167 2HD1 LEU 21 2HD1 LEU 21 -1.265 -5.983 5.262 168 3HD1 LEU 21 3HD1 LEU 21 -2.422 -6.716 6.372 169 1HD2 LEU 21 1HD2 LEU 21 -0.103 -5.053 7.953 170 2HD2 LEU 21 2HD2 LEU 21 0.239 -5.017 6.223 171 3HD2 LEU 21 3HD2 LEU 21 1.382 -5.775 7.332 172 H GLU 22 H GLU 22 -2.137 -10.138 9.369 173 HA GLU 22 HA GLU 22 -2.914 -9.302 11.959 174 1HB GLU 22 2HB GLU 22 -3.520 -11.765 10.344 175 2HB GLU 22 1HB GLU 22 -4.169 -11.521 11.958 176 1HG GLU 22 2HG GLU 22 -5.238 -9.450 11.200 177 2HG GLU 22 1HG GLU 22 -4.618 -9.740 9.575 178 H GLU 23 H GLU 23 -0.497 -11.502 10.803 179 HA GLU 23 HA GLU 23 -0.224 -12.931 13.280 180 1HB GLU 23 2HB GLU 23 0.415 -14.145 11.353 181 2HB GLU 23 1HB GLU 23 1.371 -12.810 10.727 182 1HG GLU 23 2HG GLU 23 3.190 -13.446 11.829 183 2HG GLU 23 1HG GLU 23 2.294 -13.752 13.315 184 H GLU 24 H GLU 24 1.289 -10.197 11.674 185 HA GLU 24 HA GLU 24 3.349 -9.908 13.646 186 1HB GLU 24 2HB GLU 24 2.770 -8.811 11.091 187 2HB GLU 24 1HB GLU 24 3.001 -7.487 12.224 188 1HG GLU 24 2HG GLU 24 5.093 -8.021 11.181 189 2HG GLU 24 1HG GLU 24 5.159 -8.462 12.885 190 H GLY 25 H GLY 25 0.076 -8.940 13.388 191 1HA GLY 25 2HA GLY 25 -1.177 -8.054 15.170 192 2HA GLY 25 1HA GLY 25 0.315 -7.478 15.899 193 H TYR 26 H TYR 26 -1.234 -6.994 12.734 194 HA TYR 26 HA TYR 26 -0.892 -4.094 13.113 195 1HB TYR 26 2HB TYR 26 -0.805 -5.848 10.679 196 2HB TYR 26 1HB TYR 26 -1.144 -4.129 10.526 197 HD1 TYR 26 1HD TYR 26 0.717 -3.103 9.630 198 HD2 TYR 26 2HD TYR 26 1.260 -6.014 12.681 199 HE1 TYR 26 1HE TYR 26 3.127 -2.627 9.646 200 HE2 TYR 26 2HE TYR 26 3.671 -5.545 12.708 201 HH TYR 26 HH TYR 26 5.214 -3.789 12.098 202 H HIS 27 H HIS 27 -2.505 -3.067 11.241 203 HA HIS 27 HA HIS 27 -5.188 -4.133 11.761 204 1HB HIS 27 2HB HIS 27 -4.097 -1.692 12.766 205 2HB HIS 27 1HB HIS 27 -5.319 -1.283 11.572 206 HD1 HIS 27 1HD HIS 27 -7.430 -3.400 12.112 207 HD2 HIS 27 2HD HIS 27 -5.401 -1.376 15.120 208 HE1 HIS 27 1HE HIS 27 -8.912 -3.546 14.140 209 HE2 HIS 27 2HE HIS 27 -7.709 -2.227 15.917 210 HA PRO 28 HA PRO 28 -4.347 -3.365 7.218 211 1HB PRO 28 2HB PRO 28 -5.793 -5.921 7.002 212 2HB PRO 28 1HB PRO 28 -4.257 -5.434 6.281 213 1HG PRO 28 2HG PRO 28 -4.377 -7.203 8.303 214 2HG PRO 28 1HG PRO 28 -3.038 -6.055 8.130 215 1HD PRO 28 2HD PRO 28 -5.380 -5.962 9.986 216 2HD PRO 28 1HD PRO 28 -3.692 -5.500 10.270 217 H ASP 29 H ASP 29 -5.822 -2.505 5.820 218 HA ASP 29 HA ASP 29 -8.634 -2.786 6.561 219 1HB ASP 29 2HB ASP 29 -7.547 -0.559 7.206 220 2HB ASP 29 1HB ASP 29 -7.603 -0.202 5.484 221 H THR 30 H THR 30 -6.469 -3.137 4.147 222 HA THR 30 HA THR 30 -6.550 -3.338 1.888 223 HB THR 30 HB THR 30 -8.134 -4.967 1.136 224 HG1 THR 30 1HG THR 30 -10.083 -4.504 1.849 225 1HG2 THR 30 1HG2 THR 30 -6.931 -6.430 2.282 226 2HG2 THR 30 2HG2 THR 30 -8.165 -6.337 3.539 227 3HG2 THR 30 3HG2 THR 30 -6.731 -5.316 3.634 228 H ALA 31 H ALA 31 -7.710 -3.013 -0.151 229 HA ALA 31 HA ALA 31 -10.060 -1.448 -0.303 230 1HB ALA 31 1HB ALA 31 -8.115 0.099 0.560 231 2HB ALA 31 2HB ALA 31 -9.288 0.679 -0.623 232 3HB ALA 31 3HB ALA 31 -7.696 0.137 -1.152 233 H LYS 32 H LYS 32 -10.815 -1.334 -2.419 234 HA LYS 32 HA LYS 32 -9.511 -3.048 -4.316 235 1HB LYS 32 2HB LYS 32 -11.830 -1.192 -4.863 236 2HB LYS 32 1HB LYS 32 -11.396 -2.651 -5.739 237 1HG LYS 32 2HG LYS 32 -12.115 -4.044 -3.979 238 2HG LYS 32 1HG LYS 32 -12.215 -2.691 -2.851 239 1HD LYS 32 2HD LYS 32 -13.933 -1.788 -4.649 240 2HD LYS 32 1HD LYS 32 -14.081 -3.507 -5.019 241 1HE LYS 32 2HE LYS 32 -14.662 -3.986 -2.718 242 2HE LYS 32 1HE LYS 32 -14.413 -2.297 -2.276 243 1HZ LYS 32 1HZ LYS 32 -16.585 -3.485 -3.876 244 2HZ LYS 32 2HZ LYS 32 -16.200 -1.846 -4.042 245 3HZ LYS 32 3HZ LYS 32 -16.690 -2.453 -2.540 246 H THR 33 H THR 33 -9.879 -1.744 -6.764 247 HA THR 33 HA THR 33 -7.527 -0.455 -7.148 248 HB THR 33 HB THR 33 -9.214 0.795 -8.980 249 HG1 THR 33 1HG THR 33 -10.986 -0.369 -8.287 250 1HG2 THR 33 1HG2 THR 33 -7.189 -1.147 -9.018 251 2HG2 THR 33 2HG2 THR 33 -7.858 -0.242 -10.375 252 3HG2 THR 33 3HG2 THR 33 -8.546 -1.804 -9.935 253 H LEU 34 H LEU 34 -6.941 1.706 -7.583 254 HA LEU 34 HA LEU 34 -6.961 3.510 -5.701 255 1HB LEU 34 2HB LEU 34 -7.472 4.474 -8.503 256 2HB LEU 34 1HB LEU 34 -6.508 5.241 -7.256 257 HG LEU 34 HG LEU 34 -5.802 2.666 -8.669 258 1HD1 LEU 34 1HD1 LEU 34 -4.003 4.922 -8.976 259 2HD1 LEU 34 2HD1 LEU 34 -5.606 5.233 -9.642 260 3HD1 LEU 34 3HD1 LEU 34 -4.680 3.836 -10.188 261 1HD2 LEU 34 1HD2 LEU 34 -4.991 3.560 -6.166 262 2HD2 LEU 34 2HD2 LEU 34 -3.674 4.014 -7.248 263 3HD2 LEU 34 3HD2 LEU 34 -4.203 2.334 -7.159 264 H ARG 35 H ARG 35 -9.706 3.284 -7.950 265 HA ARG 35 HA ARG 35 -11.151 5.493 -7.144 266 1HB ARG 35 2HB ARG 35 -11.656 3.572 -8.898 267 2HB ARG 35 1HB ARG 35 -12.621 2.929 -7.575 268 1HG ARG 35 2HG ARG 35 -14.179 4.555 -7.737 269 2HG ARG 35 1HG ARG 35 -13.006 5.786 -8.211 270 1HD ARG 35 2HD ARG 35 -14.153 5.529 -10.177 271 2HD ARG 35 1HD ARG 35 -12.865 4.348 -10.403 272 HE ARG 35 HE ARG 35 -15.230 3.254 -9.192 273 1HH1 ARG 35 1HH1 ARG 35 -13.669 4.040 -12.214 274 2HH1 ARG 35 2HH1 ARG 35 -14.574 2.880 -13.126 275 1HH2 ARG 35 1HH2 ARG 35 -16.421 1.728 -10.392 276 2HH2 ARG 35 2HH2 ARG 35 -16.137 1.568 -12.093 277 H GLU 36 H GLU 36 -11.531 2.191 -5.854 278 HA GLU 36 HA GLU 36 -13.159 2.976 -3.680 279 1HB GLU 36 2HB GLU 36 -12.548 0.599 -4.808 280 2HB GLU 36 1HB GLU 36 -11.522 0.529 -3.382 281 1HG GLU 36 2HG GLU 36 -13.499 -0.491 -2.715 282 2HG GLU 36 1HG GLU 36 -13.618 1.142 -2.062 283 H ALA 37 H ALA 37 -9.668 2.475 -4.027 284 HA ALA 37 HA ALA 37 -8.990 2.649 -1.306 285 1HB ALA 37 1HB ALA 37 -7.082 3.840 -3.214 286 2HB ALA 37 2HB ALA 37 -7.584 2.186 -3.567 287 3HB ALA 37 3HB ALA 37 -6.844 2.570 -2.013 288 H GLU 38 H GLU 38 -8.752 5.220 -3.781 289 HA GLU 38 HA GLU 38 -8.117 7.339 -2.182 290 1HB GLU 38 2HB GLU 38 -9.727 7.098 -4.674 291 2HB GLU 38 1HB GLU 38 -9.717 8.642 -3.832 292 1HG GLU 38 2HG GLU 38 -7.196 8.517 -3.915 293 2HG GLU 38 1HG GLU 38 -7.396 7.172 -5.035 294 H LYS 39 H LYS 39 -11.335 5.967 -2.719 295 HA LYS 39 HA LYS 39 -12.772 7.868 -1.223 296 1HB LYS 39 2HB LYS 39 -13.877 6.254 -2.695 297 2HB LYS 39 1HB LYS 39 -13.351 4.931 -1.664 298 1HG LYS 39 2HG LYS 39 -14.981 7.111 -0.466 299 2HG LYS 39 1HG LYS 39 -15.775 5.912 -1.488 300 1HD LYS 39 2HD LYS 39 -14.500 4.195 -0.010 301 2HD LYS 39 1HD LYS 39 -14.360 5.541 1.122 302 1HE LYS 39 2HE LYS 39 -16.552 5.494 1.650 303 2HE LYS 39 1HE LYS 39 -17.046 5.108 0.002 304 1HZ LYS 39 1HZ LYS 39 -16.423 3.334 2.217 305 2HZ LYS 39 2HZ LYS 39 -15.861 2.837 0.701 306 3HZ LYS 39 3HZ LYS 39 -17.510 3.129 0.937 307 H LYS 40 H LYS 40 -11.477 4.683 -0.297 308 HA LYS 40 HA LYS 40 -12.157 4.844 2.424 309 1HB LYS 40 2HB LYS 40 -10.033 3.277 0.975 310 2HB LYS 40 1HB LYS 40 -10.336 3.102 2.698 311 1HG LYS 40 2HG LYS 40 -12.758 2.610 2.030 312 2HG LYS 40 1HG LYS 40 -12.121 2.395 0.399 313 1HD LYS 40 2HD LYS 40 -11.307 0.377 0.894 314 2HD LYS 40 1HD LYS 40 -10.531 0.976 2.362 315 1HE LYS 40 2HE LYS 40 -13.478 0.390 2.198 316 2HE LYS 40 1HE LYS 40 -12.290 -0.828 2.662 317 1HZ LYS 40 1HZ LYS 40 -12.701 1.766 4.050 318 2HZ LYS 40 2HZ LYS 40 -11.626 0.545 4.514 319 3HZ LYS 40 3HZ LYS 40 -13.294 0.274 4.583 320 H ILE 41 H ILE 41 -9.342 5.992 0.650 321 HA ILE 41 HA ILE 41 -7.985 6.750 3.111 322 HB ILE 41 HB ILE 41 -7.137 7.276 0.269 323 1HG1 ILE 41 2HG1 ILE 41 -6.276 5.033 2.106 324 2HG1 ILE 41 1HG1 ILE 41 -7.452 4.851 0.807 325 1HG2 ILE 41 1HG2 ILE 41 -5.961 7.810 2.915 326 2HG2 ILE 41 2HG2 ILE 41 -5.711 8.630 1.372 327 3HG2 ILE 41 3HG2 ILE 41 -4.864 7.122 1.717 328 1HD1 ILE 41 1HD1 ILE 41 -5.126 6.052 -0.275 329 2HD1 ILE 41 2HD1 ILE 41 -5.813 4.464 -0.615 330 3HD1 ILE 41 3HD1 ILE 41 -4.637 4.656 0.686 331 H LYS 42 H LYS 42 -10.339 8.117 1.182 332 HA LYS 42 HA LYS 42 -9.541 10.795 0.992 333 1HB LYS 42 2HB LYS 42 -11.611 9.496 0.016 334 2HB LYS 42 1HB LYS 42 -12.402 10.123 1.454 335 1HG LYS 42 2HG LYS 42 -11.243 12.370 0.555 336 2HG LYS 42 1HG LYS 42 -11.488 11.519 -0.971 337 1HD LYS 42 2HD LYS 42 -13.886 11.126 0.245 338 2HD LYS 42 1HD LYS 42 -13.445 12.717 0.866 339 1HE LYS 42 2HE LYS 42 -12.902 12.528 -1.961 340 2HE LYS 42 1HE LYS 42 -14.582 12.119 -1.615 341 1HZ LYS 42 1HZ LYS 42 -14.765 14.211 -0.374 342 2HZ LYS 42 2HZ LYS 42 -14.370 14.469 -1.999 343 3HZ LYS 42 3HZ LYS 42 -13.179 14.607 -0.807 344 H GLU 43 H GLU 43 -10.394 8.944 3.724 345 HA GLU 43 HA GLU 43 -10.483 11.387 5.342 346 1HB GLU 43 2HB GLU 43 -12.180 8.958 5.907 347 2HB GLU 43 1HB GLU 43 -12.225 10.506 6.738 348 1HG GLU 43 2HG GLU 43 -13.418 11.519 5.090 349 2HG GLU 43 1HG GLU 43 -12.756 10.489 3.823 350 H LEU 44 H LEU 44 -10.170 7.842 5.509 351 HA LEU 44 HA LEU 44 -8.919 7.694 7.992 352 1HB LEU 44 2HB LEU 44 -9.296 5.941 5.690 353 2HB LEU 44 1HB LEU 44 -7.800 5.620 6.545 354 HG LEU 44 HG LEU 44 -9.668 4.209 7.320 355 1HD1 LEU 44 1HD1 LEU 44 -8.912 4.200 9.443 356 2HD1 LEU 44 2HD1 LEU 44 -9.174 5.930 9.660 357 3HD1 LEU 44 3HD1 LEU 44 -7.744 5.356 8.803 358 1HD2 LEU 44 1HD2 LEU 44 -11.512 5.155 8.547 359 2HD2 LEU 44 2HD2 LEU 44 -11.454 5.881 6.941 360 3HD2 LEU 44 3HD2 LEU 44 -10.865 6.782 8.338 361 H PHE 45 H PHE 45 -6.899 8.026 8.716 362 HA PHE 45 HA PHE 45 -4.946 9.088 6.815 363 1HB PHE 45 2HB PHE 45 -5.506 10.412 8.845 364 2HB PHE 45 1HB PHE 45 -4.875 9.106 9.841 365 HD1 PHE 45 1HD PHE 45 -3.900 11.489 7.163 366 HD2 PHE 45 2HD PHE 45 -2.627 9.049 10.410 367 HE1 PHE 45 1HE PHE 45 -1.649 12.469 7.011 368 HE2 PHE 45 2HE PHE 45 -0.373 10.027 10.264 369 HZ PHE 45 HZ PHE 45 0.118 11.739 8.563 370 H PHE 46 H PHE 46 -4.869 6.673 6.151 371 HA PHE 46 HA PHE 46 -3.622 4.745 7.732 372 1HB PHE 46 2HB PHE 46 -3.733 5.152 4.750 373 2HB PHE 46 1HB PHE 46 -2.893 3.781 5.465 374 HD1 PHE 46 1HD PHE 46 -5.879 4.798 4.053 375 HD2 PHE 46 2HD PHE 46 -4.378 2.519 7.318 376 HE1 PHE 46 1HE PHE 46 -8.002 3.557 4.157 377 HE2 PHE 46 2HE PHE 46 -6.498 1.272 7.427 378 HZ PHE 46 HZ PHE 46 -8.313 1.794 5.846 379 HA PRO 47 HA PRO 47 0.495 6.508 7.937 380 1HB PRO 47 2HB PRO 47 1.669 4.494 9.307 381 2HB PRO 47 1HB PRO 47 0.574 5.647 10.079 382 1HG PRO 47 2HG PRO 47 0.026 2.872 9.107 383 2HG PRO 47 1HG PRO 47 -0.487 3.648 10.616 384 1HD PRO 47 2HD PRO 47 -2.119 3.390 8.458 385 2HD PRO 47 1HD PRO 47 -2.242 4.740 9.604 386 H VAL 48 H VAL 48 -0.332 3.375 6.673 387 HA VAL 48 HA VAL 48 1.898 3.548 4.796 388 HB VAL 48 HB VAL 48 1.244 0.909 6.062 389 1HG1 VAL 48 1HG1 VAL 48 3.158 1.938 4.120 390 2HG1 VAL 48 2HG1 VAL 48 2.616 0.286 4.412 391 3HG1 VAL 48 3HG1 VAL 48 3.907 0.977 5.395 392 1HG2 VAL 48 1HG2 VAL 48 1.845 2.132 7.955 393 2HG2 VAL 48 2HG2 VAL 48 3.062 3.061 7.080 394 3HG2 VAL 48 3HG2 VAL 48 3.347 1.359 7.447 395 H ILE 49 H ILE 49 1.378 2.993 2.791 396 HA ILE 49 HA ILE 49 -1.214 1.679 2.323 397 HB ILE 49 HB ILE 49 0.103 3.617 0.424 398 1HG1 ILE 49 2HG1 ILE 49 -0.426 4.780 2.528 399 2HG1 ILE 49 1HG1 ILE 49 -1.475 5.313 1.219 400 1HG2 ILE 49 1HG2 ILE 49 -2.387 2.040 0.465 401 2HG2 ILE 49 2HG2 ILE 49 -1.405 2.581 -0.895 402 3HG2 ILE 49 3HG2 ILE 49 -2.529 3.697 -0.119 403 1HD1 ILE 49 1HD1 ILE 49 -2.119 3.726 3.644 404 2HD1 ILE 49 2HD1 ILE 49 -3.072 3.470 2.183 405 3HD1 ILE 49 3HD1 ILE 49 -2.985 5.076 2.908 406 H VAL 50 H VAL 50 -1.343 0.195 0.630 407 HA VAL 50 HA VAL 50 1.175 -0.563 -0.671 408 HB VAL 50 HB VAL 50 -0.675 -2.518 0.705 409 1HG1 VAL 50 1HG1 VAL 50 1.572 -2.855 -1.218 410 2HG1 VAL 50 2HG1 VAL 50 0.071 -3.767 -1.065 411 3HG1 VAL 50 3HG1 VAL 50 1.387 -4.036 0.078 412 1HG2 VAL 50 1HG2 VAL 50 0.974 -2.836 2.320 413 2HG2 VAL 50 2HG2 VAL 50 0.959 -1.089 2.084 414 3HG2 VAL 50 3HG2 VAL 50 2.220 -2.067 1.335 415 H LEU 51 H LEU 51 0.702 -0.146 -2.726 416 HA LEU 51 HA LEU 51 -1.944 -0.758 -3.777 417 1HB LEU 51 2HB LEU 51 -0.956 1.384 -4.370 418 2HB LEU 51 1HB LEU 51 0.450 0.579 -5.040 419 HG LEU 51 HG LEU 51 -0.889 -0.365 -6.831 420 1HD1 LEU 51 1HD1 LEU 51 -2.981 -0.779 -5.843 421 2HD1 LEU 51 2HD1 LEU 51 -3.278 0.470 -7.052 422 3HD1 LEU 51 3HD1 LEU 51 -3.172 0.903 -5.346 423 1HD2 LEU 51 1HD2 LEU 51 -0.101 2.197 -6.652 424 2HD2 LEU 51 2HD2 LEU 51 -1.830 2.430 -6.905 425 3HD2 LEU 51 3HD2 LEU 51 -0.883 1.517 -8.079 426 H ASP 52 H ASP 52 -1.812 -3.042 -3.660 427 HA ASP 52 HA ASP 52 0.219 -4.557 -4.909 428 1HB ASP 52 2HB ASP 52 -1.740 -5.193 -3.204 429 2HB ASP 52 1HB ASP 52 -2.523 -5.690 -4.700 430 H VAL 53 H VAL 53 0.309 -3.240 -6.916 431 HA VAL 53 HA VAL 53 -1.678 -3.087 -8.833 432 HB VAL 53 HB VAL 53 0.315 -1.828 -9.189 433 1HG1 VAL 53 1HG1 VAL 53 2.463 -2.601 -9.174 434 2HG1 VAL 53 2HG1 VAL 53 2.008 -4.207 -9.739 435 3HG1 VAL 53 3HG1 VAL 53 1.716 -3.747 -8.065 436 1HG2 VAL 53 1HG2 VAL 53 0.431 -2.036 -11.432 437 2HG2 VAL 53 2HG2 VAL 53 -0.878 -3.193 -11.177 438 3HG2 VAL 53 3HG2 VAL 53 0.781 -3.764 -11.362 439 H TRP 54 H TRP 54 -2.873 -5.022 -8.893 440 HA TRP 54 HA TRP 54 -1.529 -7.459 -9.740 441 1HB TRP 54 2HB TRP 54 -3.260 -7.694 -8.060 442 2HB TRP 54 1HB TRP 54 -4.428 -6.879 -9.093 443 HD1 TRP 54 HD TRP 54 -6.109 -8.612 -9.929 444 HE1 TRP 54 1HE TRP 54 -5.990 -11.018 -10.835 445 HE3 TRP 54 3HE TRP 54 -1.094 -9.425 -9.401 446 HZ2 TRP 54 2HZ TRP 54 -4.025 -13.000 -11.268 447 HZ3 TRP 54 3HZ TRP 54 -0.171 -11.603 -10.084 448 HH2 TRP 54 HH TRP 54 -1.608 -13.352 -10.999 449 H MET 55 H MET 55 -4.634 -6.201 -10.889 450 HA MET 55 HA MET 55 -3.603 -5.960 -13.598 451 1HB MET 55 2HB MET 55 -5.524 -8.057 -12.697 452 2HB MET 55 1HB MET 55 -5.770 -7.329 -14.279 453 1HG MET 55 2HG MET 55 -3.032 -8.238 -13.676 454 2HG MET 55 1HG MET 55 -4.254 -9.495 -13.851 455 1HE MET 55 1HE MET 55 -2.264 -6.791 -15.082 456 2HE MET 55 2HE MET 55 -3.080 -6.187 -16.524 457 3HE MET 55 3HE MET 55 -1.823 -7.415 -16.670 458 HA PRO 56 HA PRO 56 -7.181 -3.115 -12.353 459 1HB PRO 56 2HB PRO 56 -5.881 -0.889 -11.616 460 2HB PRO 56 1HB PRO 56 -6.160 -2.213 -10.478 461 1HG PRO 56 2HG PRO 56 -3.690 -1.537 -12.029 462 2HG PRO 56 1HG PRO 56 -3.845 -2.021 -10.331 463 1HD PRO 56 2HD PRO 56 -3.135 -3.738 -12.340 464 2HD PRO 56 1HD PRO 56 -3.949 -4.248 -10.848 465 H ASP 57 H ASP 57 -7.128 -0.524 -13.082 466 HA ASP 57 HA ASP 57 -5.766 -0.213 -15.620 467 1HB ASP 57 2HB ASP 57 -8.786 -0.249 -15.478 468 2HB ASP 57 1HB ASP 57 -7.831 0.179 -16.894 469 H GLY 58 H GLY 58 -5.812 1.137 -13.017 470 1HA GLY 58 2HA GLY 58 -7.021 3.723 -13.727 471 2HA GLY 58 1HA GLY 58 -6.521 3.238 -12.113 472 H ASP 59 H ASP 59 -5.236 5.032 -11.751 473 HA ASP 59 HA ASP 59 -2.740 5.084 -13.309 474 1HB ASP 59 2HB ASP 59 -4.217 7.504 -12.251 475 2HB ASP 59 1HB ASP 59 -2.673 7.526 -13.099 476 H GLY 60 H GLY 60 -1.898 3.727 -11.613 477 1HA GLY 60 2HA GLY 60 -1.881 4.346 -8.896 478 2HA GLY 60 1HA GLY 60 -0.649 3.400 -9.717 479 H VAL 61 H VAL 61 0.364 5.370 -11.445 480 HA VAL 61 HA VAL 61 2.244 6.629 -9.812 481 HB VAL 61 HB VAL 61 1.423 7.335 -12.637 482 1HG1 VAL 61 1HG1 VAL 61 3.851 8.058 -11.018 483 2HG1 VAL 61 2HG1 VAL 61 2.667 9.148 -11.739 484 3HG1 VAL 61 3HG1 VAL 61 3.758 8.224 -12.771 485 1HG2 VAL 61 1HG2 VAL 61 3.703 5.590 -11.722 486 2HG2 VAL 61 2HG2 VAL 61 3.159 5.870 -13.375 487 3HG2 VAL 61 3HG2 VAL 61 2.141 4.969 -12.253 488 H ASN 62 H ASN 62 -0.783 7.783 -11.211 489 HA ASN 62 HA ASN 62 -0.426 10.485 -10.317 490 1HB ASN 62 2HB ASN 62 -2.182 9.146 -12.064 491 2HB ASN 62 1HB ASN 62 -3.195 9.787 -10.774 492 1HD2 ASN 62 1HD2 ASN 62 -0.279 10.970 -12.414 493 2HD2 ASN 62 2HD2 ASN 62 -0.950 12.494 -12.873 494 H PHE 63 H PHE 63 -1.605 7.550 -8.963 495 HA PHE 63 HA PHE 63 -3.206 8.713 -6.897 496 1HB PHE 63 2HB PHE 63 -3.573 6.418 -7.732 497 2HB PHE 63 1HB PHE 63 -2.001 5.945 -7.101 498 HD1 PHE 63 1HD PHE 63 -4.553 8.099 -5.490 499 HD2 PHE 63 2HD PHE 63 -2.545 4.347 -5.500 500 HE1 PHE 63 1HE PHE 63 -5.598 7.538 -3.334 501 HE2 PHE 63 2HE PHE 63 -3.587 3.780 -3.345 502 HZ PHE 63 HZ PHE 63 -5.117 5.374 -2.262 503 H ILE 64 H ILE 64 0.146 7.827 -7.278 504 HA ILE 64 HA ILE 64 1.058 7.578 -4.702 505 HB ILE 64 HB ILE 64 2.561 9.249 -6.705 506 1HG1 ILE 64 2HG1 ILE 64 1.862 7.386 -8.015 507 2HG1 ILE 64 1HG1 ILE 64 3.513 7.045 -7.520 508 1HG2 ILE 64 1HG2 ILE 64 4.428 8.750 -5.520 509 2HG2 ILE 64 2HG2 ILE 64 3.831 7.165 -5.032 510 3HG2 ILE 64 3HG2 ILE 64 3.248 8.614 -4.216 511 1HD1 ILE 64 1HD1 ILE 64 1.092 5.953 -6.118 512 2HD1 ILE 64 2HD1 ILE 64 2.776 5.480 -5.892 513 3HD1 ILE 64 3HD1 ILE 64 1.952 5.112 -7.408 514 H ASP 65 H ASP 65 0.205 10.536 -6.412 515 HA ASP 65 HA ASP 65 1.180 12.316 -4.419 516 1HB ASP 65 2HB ASP 65 0.790 13.007 -6.761 517 2HB ASP 65 1HB ASP 65 -0.941 12.787 -6.527 518 H PHE 66 H PHE 66 -2.003 10.910 -5.109 519 HA PHE 66 HA PHE 66 -3.569 12.282 -3.312 520 1HB PHE 66 2HB PHE 66 -4.364 10.596 -4.960 521 2HB PHE 66 1HB PHE 66 -3.731 9.326 -3.923 522 HD1 PHE 66 1HD PHE 66 -4.677 9.153 -1.558 523 HD2 PHE 66 2HD PHE 66 -6.514 11.410 -4.662 524 HE1 PHE 66 1HE PHE 66 -6.813 9.081 -0.341 525 HE2 PHE 66 2HE PHE 66 -8.653 11.343 -3.450 526 HZ PHE 66 HZ PHE 66 -8.805 10.177 -1.287 527 H ILE 67 H ILE 67 -1.409 9.549 -2.732 528 HA ILE 67 HA ILE 67 -2.124 9.076 -0.049 529 HB ILE 67 HB ILE 67 0.417 8.521 -1.582 530 1HG1 ILE 67 2HG1 ILE 67 -0.411 6.136 -1.173 531 2HG1 ILE 67 1HG1 ILE 67 -1.927 6.866 -0.654 532 1HG2 ILE 67 1HG2 ILE 67 1.273 8.670 0.575 533 2HG2 ILE 67 2HG2 ILE 67 0.882 6.957 0.423 534 3HG2 ILE 67 3HG2 ILE 67 -0.197 8.032 1.310 535 1HD1 ILE 67 1HD1 ILE 67 -0.694 7.375 -3.342 536 2HD1 ILE 67 2HD1 ILE 67 -2.327 7.767 -2.804 537 3HD1 ILE 67 3HD1 ILE 67 -1.853 6.084 -3.029 538 H LYS 68 H LYS 68 0.554 10.981 -1.444 539 HA LYS 68 HA LYS 68 1.333 12.037 1.107 540 1HB LYS 68 2HB LYS 68 2.069 12.822 -1.718 541 2HB LYS 68 1HB LYS 68 2.768 13.564 -0.285 542 1HG LYS 68 2HG LYS 68 2.990 10.733 -0.049 543 2HG LYS 68 1HG LYS 68 3.593 11.226 -1.632 544 1HD LYS 68 2HD LYS 68 5.132 12.772 -0.629 545 2HD LYS 68 1HD LYS 68 4.435 12.499 0.968 546 1HE LYS 68 2HE LYS 68 5.706 10.701 1.306 547 2HE LYS 68 1HE LYS 68 5.279 10.020 -0.264 548 1HZ LYS 68 1HZ LYS 68 7.508 11.831 0.415 549 2HZ LYS 68 2HZ LYS 68 6.939 11.721 -1.175 550 3HZ LYS 68 3HZ LYS 68 7.555 10.349 -0.399 551 H GLU 69 H GLU 69 -1.214 12.695 -0.965 552 HA GLU 69 HA GLU 69 -1.382 15.531 -0.585 553 1HB GLU 69 2HB GLU 69 -2.354 14.353 -2.551 554 2HB GLU 69 1HB GLU 69 -3.521 13.600 -1.477 555 1HG GLU 69 2HG GLU 69 -4.133 16.022 -0.824 556 2HG GLU 69 1HG GLU 69 -3.304 16.456 -2.319 557 H ASN 70 H ASN 70 -3.065 12.703 0.701 558 HA ASN 70 HA ASN 70 -4.071 14.369 2.910 559 1HB ASN 70 2HB ASN 70 -5.596 12.093 3.006 560 2HB ASN 70 1HB ASN 70 -6.072 13.588 2.209 561 1HD2 ASN 70 1HD2 ASN 70 -5.074 13.748 -0.092 562 2HD2 ASN 70 2HD2 ASN 70 -5.265 12.342 -1.072 563 H SER 71 H SER 71 -1.504 12.711 2.476 564 HA SER 71 HA SER 71 -1.318 11.774 5.169 565 1HB SER 71 2HB SER 71 -1.943 9.874 3.031 566 2HB SER 71 1HB SER 71 -0.493 9.442 3.937 567 HG SER 71 HG SER 71 -3.110 9.873 4.932 568 HA PRO 72 HA PRO 72 2.592 13.123 2.997 569 1HB PRO 72 2HB PRO 72 2.840 15.035 5.189 570 2HB PRO 72 1HB PRO 72 2.822 15.334 3.450 571 1HG PRO 72 2HG PRO 72 0.787 16.058 5.087 572 2HG PRO 72 1HG PRO 72 0.546 15.610 3.390 573 1HD PRO 72 2HD PRO 72 0.079 13.995 5.865 574 2HD PRO 72 1HD PRO 72 -0.893 14.092 4.381 575 H ASP 73 H ASP 73 1.668 12.197 6.149 576 HA ASP 73 HA ASP 73 4.438 11.485 6.835 577 1HB ASP 73 2HB ASP 73 3.173 13.000 8.405 578 2HB ASP 73 1HB ASP 73 2.096 11.646 8.730 579 H SER 74 H SER 74 3.038 9.906 5.013 580 HA SER 74 HA SER 74 2.490 7.481 6.595 581 1HB SER 74 2HB SER 74 0.489 8.332 5.430 582 2HB SER 74 1HB SER 74 1.348 8.235 3.894 583 HG SER 74 HG SER 74 -0.080 6.368 4.917 584 H VAL 75 H VAL 75 2.409 5.797 4.269 585 HA VAL 75 HA VAL 75 5.069 6.012 3.096 586 HB VAL 75 HB VAL 75 4.283 3.513 4.598 587 1HG1 VAL 75 1HG1 VAL 75 6.277 4.116 2.576 588 2HG1 VAL 75 2HG1 VAL 75 5.772 2.558 3.231 589 3HG1 VAL 75 3HG1 VAL 75 7.009 3.504 4.060 590 1HG2 VAL 75 1HG2 VAL 75 4.808 5.093 6.258 591 2HG2 VAL 75 2HG2 VAL 75 6.118 5.788 5.304 592 3HG2 VAL 75 3HG2 VAL 75 6.298 4.184 6.014 593 H VAL 76 H VAL 76 5.268 5.135 1.142 594 HA VAL 76 HA VAL 76 2.956 3.631 0.088 595 HB VAL 76 HB VAL 76 4.680 5.281 -1.717 596 1HG1 VAL 76 1HG1 VAL 76 2.629 3.568 -2.183 597 2HG1 VAL 76 2HG1 VAL 76 3.091 4.891 -3.254 598 3HG1 VAL 76 3HG1 VAL 76 1.777 5.109 -2.099 599 1HG2 VAL 76 1HG2 VAL 76 2.764 6.295 0.289 600 2HG2 VAL 76 2HG2 VAL 76 2.616 6.957 -1.339 601 3HG2 VAL 76 3HG2 VAL 76 4.144 7.091 -0.468 602 H ILE 77 H ILE 77 3.791 1.591 0.315 603 HA ILE 77 HA ILE 77 6.441 0.897 -0.501 604 HB ILE 77 HB ILE 77 4.102 -0.958 -0.037 605 1HG1 ILE 77 2HG1 ILE 77 4.462 0.470 1.917 606 2HG1 ILE 77 1HG1 ILE 77 4.971 -1.181 2.259 607 1HG2 ILE 77 1HG2 ILE 77 5.521 -2.683 -0.228 608 2HG2 ILE 77 2HG2 ILE 77 6.821 -1.836 0.610 609 3HG2 ILE 77 3HG2 ILE 77 6.539 -1.541 -1.105 610 1HD1 ILE 77 1HD1 ILE 77 7.318 -0.302 1.558 611 2HD1 ILE 77 2HD1 ILE 77 6.684 0.041 3.169 612 3HD1 ILE 77 3HD1 ILE 77 6.615 1.276 1.912 613 H VAL 78 H VAL 78 3.231 0.048 -1.815 614 HA VAL 78 HA VAL 78 2.565 -0.617 -3.890 615 HB VAL 78 HB VAL 78 4.792 1.167 -4.882 616 1HG1 VAL 78 1HG1 VAL 78 2.133 0.458 -6.117 617 2HG1 VAL 78 2HG1 VAL 78 3.680 -0.259 -6.567 618 3HG1 VAL 78 3HG1 VAL 78 3.395 1.462 -6.833 619 1HG2 VAL 78 1HG2 VAL 78 2.225 1.794 -3.554 620 2HG2 VAL 78 2HG2 VAL 78 2.638 2.753 -4.976 621 3HG2 VAL 78 3HG2 VAL 78 3.736 2.704 -3.597 622 H ILE 79 H ILE 79 3.077 -2.775 -3.916 623 HA ILE 79 HA ILE 79 5.711 -3.517 -4.996 624 HB ILE 79 HB ILE 79 3.899 -5.567 -3.807 625 1HG1 ILE 79 2HG1 ILE 79 5.633 -3.763 -2.115 626 2HG1 ILE 79 1HG1 ILE 79 3.884 -3.612 -2.233 627 1HG2 ILE 79 1HG2 ILE 79 5.787 -6.796 -3.605 628 2HG2 ILE 79 2HG2 ILE 79 6.777 -5.402 -3.172 629 3HG2 ILE 79 3HG2 ILE 79 6.364 -5.701 -4.860 630 1HD1 ILE 79 1HD1 ILE 79 3.821 -4.956 -0.467 631 2HD1 ILE 79 2HD1 ILE 79 5.501 -5.453 -0.677 632 3HD1 ILE 79 3HD1 ILE 79 4.223 -6.254 -1.591 633 H THR 80 H THR 80 4.588 -6.265 -5.602 634 HA THR 80 HA THR 80 3.845 -7.368 -7.441 635 HB THR 80 HB THR 80 1.688 -5.674 -8.273 636 HG1 THR 80 1HG THR 80 1.620 -4.621 -6.380 637 1HG2 THR 80 1HG2 THR 80 0.386 -7.492 -7.922 638 2HG2 THR 80 2HG2 THR 80 1.217 -7.945 -6.434 639 3HG2 THR 80 3HG2 THR 80 1.960 -8.284 -7.997 640 H GLY 81 H GLY 81 3.132 -7.034 -9.843 641 1HA GLY 81 2HA GLY 81 3.320 -5.322 -11.673 642 2HA GLY 81 1HA GLY 81 4.878 -4.928 -10.960 643 H HIS 82 H HIS 82 4.032 -5.994 -13.656 644 HA HIS 82 HA HIS 82 4.812 -8.652 -13.977 645 1HB HIS 82 2HB HIS 82 5.163 -6.385 -15.950 646 2HB HIS 82 1HB HIS 82 5.156 -8.102 -16.337 647 HD1 HIS 82 1HD HIS 82 2.619 -8.191 -14.068 648 HD2 HIS 82 2HD HIS 82 2.898 -6.367 -17.791 649 HE1 HIS 82 1HE HIS 82 0.248 -7.880 -14.843 650 HE2 HIS 82 2HE HIS 82 0.439 -6.692 -17.057 651 H GLY 83 H GLY 83 6.789 -5.765 -14.702 652 1HA GLY 83 2HA GLY 83 9.183 -7.432 -14.256 653 2HA GLY 83 1HA GLY 83 9.129 -6.014 -15.293 654 H SER 84 H SER 84 7.596 -4.443 -13.354 655 HA SER 84 HA SER 84 7.998 -2.922 -11.712 656 1HB SER 84 2HB SER 84 9.213 -5.430 -10.614 657 2HB SER 84 1HB SER 84 9.442 -3.912 -9.744 658 HG SER 84 HG SER 84 7.587 -4.766 -8.948 659 H VAL 85 H VAL 85 9.512 -2.423 -13.839 660 HA VAL 85 HA VAL 85 12.118 -1.673 -12.688 661 HB VAL 85 HB VAL 85 13.006 -1.805 -15.067 662 1HG1 VAL 85 1HG1 VAL 85 12.900 -4.484 -14.863 663 2HG1 VAL 85 2HG1 VAL 85 12.389 -4.032 -13.237 664 3HG1 VAL 85 3HG1 VAL 85 13.939 -3.470 -13.861 665 1HG2 VAL 85 1HG2 VAL 85 11.844 -3.336 -16.586 666 2HG2 VAL 85 2HG2 VAL 85 10.860 -1.919 -16.219 667 3HG2 VAL 85 3HG2 VAL 85 10.511 -3.461 -15.437 668 H ASP 86 H ASP 86 9.603 -0.886 -15.056 669 HA ASP 86 HA ASP 86 10.640 1.855 -15.193 670 1HB ASP 86 2HB ASP 86 10.292 0.696 -17.341 671 2HB ASP 86 1HB ASP 86 8.587 0.493 -16.948 672 H THR 87 H THR 87 7.976 -0.035 -14.033 673 HA THR 87 HA THR 87 6.255 2.268 -13.666 674 HB THR 87 HB THR 87 5.578 -0.258 -14.066 675 HG1 THR 87 1HG THR 87 4.180 1.332 -12.186 676 1HG2 THR 87 1HG2 THR 87 6.628 -1.180 -12.058 677 2HG2 THR 87 2HG2 THR 87 4.877 -1.398 -12.045 678 3HG2 THR 87 3HG2 THR 87 5.617 -0.139 -11.057 679 H ALA 88 H ALA 88 8.471 0.309 -11.833 680 HA ALA 88 HA ALA 88 7.848 1.185 -9.240 681 1HB ALA 88 1HB ALA 88 10.324 0.619 -8.835 682 2HB ALA 88 2HB ALA 88 10.341 0.115 -10.525 683 3HB ALA 88 3HB ALA 88 9.260 -0.679 -9.379 684 H VAL 89 H VAL 89 10.409 2.245 -11.444 685 HA VAL 89 HA VAL 89 11.291 4.424 -9.935 686 HB VAL 89 HB VAL 89 12.440 5.180 -11.910 687 1HG1 VAL 89 1HG1 VAL 89 13.121 3.026 -10.749 688 2HG1 VAL 89 2HG1 VAL 89 13.742 3.273 -12.382 689 3HG1 VAL 89 3HG1 VAL 89 12.384 2.181 -12.111 690 1HG2 VAL 89 1HG2 VAL 89 11.885 3.632 -14.034 691 2HG2 VAL 89 2HG2 VAL 89 11.120 5.195 -13.751 692 3HG2 VAL 89 3HG2 VAL 89 10.284 3.710 -13.298 693 H LYS 90 H LYS 90 8.577 4.095 -12.107 694 HA LYS 90 HA LYS 90 8.170 6.923 -12.416 695 1HB LYS 90 2HB LYS 90 7.463 5.265 -14.117 696 2HB LYS 90 1HB LYS 90 6.262 4.655 -12.986 697 1HG LYS 90 2HG LYS 90 5.073 6.729 -13.029 698 2HG LYS 90 1HG LYS 90 6.348 7.493 -13.979 699 1HD LYS 90 2HD LYS 90 5.151 5.041 -15.116 700 2HD LYS 90 1HD LYS 90 4.110 6.466 -15.056 701 1HE LYS 90 2HE LYS 90 6.419 7.534 -16.009 702 2HE LYS 90 1HE LYS 90 6.477 5.916 -16.708 703 1HZ LYS 90 1HZ LYS 90 5.344 7.253 -18.250 704 2HZ LYS 90 2HZ LYS 90 4.384 7.980 -17.062 705 3HZ LYS 90 3HZ LYS 90 4.133 6.359 -17.479 706 H ALA 91 H ALA 91 7.751 4.948 -9.802 707 HA ALA 91 HA ALA 91 5.627 6.689 -8.744 708 1HB ALA 91 1HB ALA 91 5.004 4.564 -7.362 709 2HB ALA 91 2HB ALA 91 5.789 3.712 -8.691 710 3HB ALA 91 3HB ALA 91 4.407 4.761 -9.010 711 H ILE 92 H ILE 92 8.472 4.717 -8.060 712 HA ILE 92 HA ILE 92 8.533 5.353 -5.280 713 HB ILE 92 HB ILE 92 10.536 4.164 -5.127 714 1HG1 ILE 92 2HG1 ILE 92 10.932 4.635 -8.092 715 2HG1 ILE 92 1HG1 ILE 92 11.852 5.374 -6.787 716 1HG2 ILE 92 1HG2 ILE 92 10.047 2.375 -7.191 717 2HG2 ILE 92 2HG2 ILE 92 8.481 3.121 -6.884 718 3HG2 ILE 92 3HG2 ILE 92 9.352 2.332 -5.572 719 1HD1 ILE 92 1HD1 ILE 92 13.201 3.662 -7.677 720 2HD1 ILE 92 2HD1 ILE 92 11.870 2.505 -7.667 721 3HD1 ILE 92 3HD1 ILE 92 12.576 3.048 -6.146 722 H LYS 93 H LYS 93 10.234 6.608 -8.129 723 HA LYS 93 HA LYS 93 11.960 8.360 -6.794 724 1HB LYS 93 2HB LYS 93 11.243 7.794 -9.486 725 2HB LYS 93 1HB LYS 93 11.147 9.535 -9.269 726 1HG LYS 93 2HG LYS 93 13.541 8.447 -8.069 727 2HG LYS 93 1HG LYS 93 13.421 8.036 -9.781 728 1HD LYS 93 2HD LYS 93 14.194 10.074 -10.239 729 2HD LYS 93 1HD LYS 93 12.670 10.719 -9.629 730 1HE LYS 93 2HE LYS 93 15.052 10.127 -7.883 731 2HE LYS 93 1HE LYS 93 14.737 11.706 -8.601 732 1HZ LYS 93 1HZ LYS 93 13.040 12.111 -7.189 733 2HZ LYS 93 2HZ LYS 93 13.877 11.024 -6.199 734 3HZ LYS 93 3HZ LYS 93 12.552 10.493 -7.106 735 H LYS 94 H LYS 94 8.586 8.643 -7.645 736 HA LYS 94 HA LYS 94 8.272 11.413 -7.351 737 1HB LYS 94 2HB LYS 94 6.460 9.063 -7.230 738 2HB LYS 94 1HB LYS 94 5.865 10.597 -6.610 739 1HG LYS 94 2HG LYS 94 5.166 10.475 -8.854 740 2HG LYS 94 1HG LYS 94 6.515 11.611 -8.821 741 1HD LYS 94 2HD LYS 94 7.474 8.929 -9.243 742 2HD LYS 94 1HD LYS 94 6.236 9.332 -10.432 743 1HE LYS 94 2HE LYS 94 8.301 11.383 -9.893 744 2HE LYS 94 1HE LYS 94 8.819 9.937 -10.758 745 1HZ LYS 94 1HZ LYS 94 8.162 11.385 -12.426 746 2HZ LYS 94 2HZ LYS 94 6.819 11.950 -11.567 747 3HZ LYS 94 3HZ LYS 94 6.801 10.396 -12.236 748 H GLY 95 H GLY 95 7.319 8.902 -5.002 749 1HA GLY 95 2HA GLY 95 8.600 10.132 -2.806 750 2HA GLY 95 1HA GLY 95 6.919 10.637 -2.852 751 H ALA 96 H ALA 96 7.933 7.464 -3.938 752 HA ALA 96 HA ALA 96 6.278 6.279 -1.859 753 1HB ALA 96 1HB ALA 96 5.921 4.568 -3.272 754 2HB ALA 96 2HB ALA 96 7.616 4.475 -3.749 755 3HB ALA 96 3HB ALA 96 6.555 5.672 -4.491 756 H TYR 97 H TYR 97 7.443 3.793 -1.581 757 HA TYR 97 HA TYR 97 9.930 4.457 -0.149 758 1HB TYR 97 2HB TYR 97 7.896 3.766 1.201 759 2HB TYR 97 1HB TYR 97 8.073 2.169 0.483 760 HD1 TYR 97 1HD TYR 97 10.352 4.675 2.082 761 HD2 TYR 97 2HD TYR 97 9.060 0.628 1.869 762 HE1 TYR 97 1HE TYR 97 11.968 4.075 3.835 763 HE2 TYR 97 2HE TYR 97 10.673 0.015 3.623 764 HH TYR 97 HH TYR 97 13.203 1.935 4.546 765 H GLU 98 H GLU 98 9.594 3.587 -2.944 766 HA GLU 98 HA GLU 98 10.884 2.393 -4.395 767 1HB GLU 98 2HB GLU 98 12.812 1.428 -3.711 768 2HB GLU 98 1HB GLU 98 12.431 2.247 -2.207 769 1HG GLU 98 2HG GLU 98 11.151 -0.074 -1.782 770 2HG GLU 98 1HG GLU 98 12.427 -0.630 -2.864 771 H PHE 99 H PHE 99 10.638 0.507 -5.577 772 HA PHE 99 HA PHE 99 8.264 -0.991 -4.950 773 1HB PHE 99 2HB PHE 99 9.845 -0.414 -7.283 774 2HB PHE 99 1HB PHE 99 9.562 -2.146 -7.176 775 HD1 PHE 99 1HD PHE 99 7.828 -2.831 -8.496 776 HD2 PHE 99 2HD PHE 99 7.525 0.909 -6.486 777 HE1 PHE 99 1HE PHE 99 5.577 -2.513 -9.437 778 HE2 PHE 99 2HE PHE 99 5.273 1.232 -7.423 779 HZ PHE 99 HZ PHE 99 4.295 -0.480 -8.899 780 H LEU 100 H LEU 100 8.823 -2.179 -3.091 781 HA LEU 100 HA LEU 100 11.090 -3.772 -2.787 782 1HB LEU 100 2HB LEU 100 9.659 -3.190 -0.932 783 2HB LEU 100 1HB LEU 100 8.316 -4.057 -1.649 784 HG LEU 100 HG LEU 100 9.857 -6.126 -1.448 785 1HD1 LEU 100 1HD1 LEU 100 11.400 -6.006 0.450 786 2HD1 LEU 100 2HD1 LEU 100 11.096 -4.274 0.582 787 3HD1 LEU 100 3HD1 LEU 100 11.886 -4.924 -0.854 788 1HD2 LEU 100 1HD2 LEU 100 8.822 -4.968 1.115 789 2HD2 LEU 100 2HD2 LEU 100 8.844 -6.654 0.596 790 3HD2 LEU 100 3HD2 LEU 100 7.745 -5.508 -0.173 791 H GLU 101 H GLU 101 11.450 -5.986 -3.076 792 HA GLU 101 HA GLU 101 10.554 -7.111 -5.460 793 1HB GLU 101 2HB GLU 101 11.764 -8.441 -3.033 794 2HB GLU 101 1HB GLU 101 11.541 -9.237 -4.585 795 1HG GLU 101 2HG GLU 101 13.249 -8.119 -5.565 796 2HG GLU 101 1HG GLU 101 13.007 -6.669 -4.591 797 H LYS 102 H LYS 102 9.620 -9.496 -5.409 798 HA LYS 102 HA LYS 102 7.351 -9.655 -3.568 799 1HB LYS 102 2HB LYS 102 5.867 -10.257 -5.510 800 2HB LYS 102 1HB LYS 102 6.365 -8.573 -5.447 801 1HG LYS 102 2HG LYS 102 8.103 -10.338 -7.028 802 2HG LYS 102 1HG LYS 102 6.471 -10.110 -7.659 803 1HD LYS 102 2HD LYS 102 6.857 -7.964 -8.218 804 2HD LYS 102 1HD LYS 102 7.781 -7.647 -6.748 805 1HE LYS 102 2HE LYS 102 9.474 -9.295 -8.070 806 2HE LYS 102 1HE LYS 102 8.691 -8.477 -9.420 807 1HZ LYS 102 1HZ LYS 102 9.582 -6.784 -7.229 808 2HZ LYS 102 2HZ LYS 102 9.636 -6.514 -8.897 809 3HZ LYS 102 3HZ LYS 102 10.801 -7.495 -8.160 810 HA PRO 103 HA PRO 103 9.606 -13.709 -4.612 811 1HB PRO 103 2HB PRO 103 10.569 -14.190 -2.108 812 2HB PRO 103 1HB PRO 103 11.477 -13.312 -3.343 813 1HG PRO 103 2HG PRO 103 9.865 -12.243 -1.058 814 2HG PRO 103 1HG PRO 103 11.456 -11.723 -1.647 815 1HD PRO 103 2HD PRO 103 9.193 -10.384 -2.253 816 2HD PRO 103 1HD PRO 103 10.552 -10.502 -3.388 817 H PHE 104 H PHE 104 9.482 -15.685 -2.772 818 HA PHE 104 HA PHE 104 6.815 -16.470 -2.776 819 1HB PHE 104 2HB PHE 104 8.855 -17.942 -2.484 820 2HB PHE 104 1HB PHE 104 8.881 -17.440 -0.797 821 HD1 PHE 104 1HD PHE 104 6.438 -18.780 -3.284 822 HD2 PHE 104 2HD PHE 104 7.887 -18.838 0.716 823 HE1 PHE 104 1HE PHE 104 4.835 -20.563 -2.733 824 HE2 PHE 104 2HE PHE 104 6.288 -20.622 1.275 825 HZ PHE 104 HZ PHE 104 4.758 -21.487 -0.452 826 H SER 105 H SER 105 5.211 -15.426 -1.794 827 HA SER 105 HA SER 105 3.911 -14.523 -0.163 828 1HB SER 105 2HB SER 105 5.958 -15.658 1.757 829 2HB SER 105 1HB SER 105 4.320 -15.141 2.158 830 HG SER 105 HG SER 105 3.617 -17.003 1.507 831 H VAL 106 H VAL 106 3.854 -12.810 1.508 832 HA VAL 106 HA VAL 106 5.862 -10.790 0.900 833 HB VAL 106 HB VAL 106 4.359 -9.216 2.002 834 1HG1 VAL 106 1HG1 VAL 106 2.408 -10.712 0.388 835 2HG1 VAL 106 2HG1 VAL 106 3.959 -10.397 -0.391 836 3HG1 VAL 106 3HG1 VAL 106 2.991 -9.056 0.222 837 1HG2 VAL 106 1HG2 VAL 106 2.065 -10.907 2.366 838 2HG2 VAL 106 2HG2 VAL 106 2.849 -9.821 3.513 839 3HG2 VAL 106 3HG2 VAL 106 3.412 -11.483 3.348 840 H GLU 107 H GLU 107 7.069 -12.717 2.368 841 HA GLU 107 HA GLU 107 6.943 -12.244 5.178 842 1HB GLU 107 2HB GLU 107 7.690 -14.391 4.510 843 2HB GLU 107 1HB GLU 107 8.853 -13.723 3.375 844 1HG GLU 107 2HG GLU 107 10.437 -13.591 4.919 845 2HG GLU 107 1HG GLU 107 9.346 -12.859 6.095 846 H ARG 108 H ARG 108 9.540 -11.632 2.797 847 HA ARG 108 HA ARG 108 11.092 -9.974 4.412 848 1HB ARG 108 2HB ARG 108 11.178 -10.873 1.765 849 2HB ARG 108 1HB ARG 108 11.135 -9.122 1.634 850 1HG ARG 108 2HG ARG 108 13.384 -9.476 1.754 851 2HG ARG 108 1HG ARG 108 13.010 -9.254 3.464 852 1HD ARG 108 2HD ARG 108 14.062 -11.203 3.771 853 2HD ARG 108 1HD ARG 108 12.603 -11.942 3.111 854 HE ARG 108 HE ARG 108 13.765 -12.460 1.204 855 1HH1 ARG 108 1HH1 ARG 108 15.598 -10.140 3.057 856 2HH1 ARG 108 2HH1 ARG 108 17.012 -10.279 2.067 857 1HH2 ARG 108 1HH2 ARG 108 15.623 -12.644 -0.099 858 2HH2 ARG 108 2HH2 ARG 108 17.026 -11.700 0.275 859 H PHE 109 H PHE 109 8.195 -9.367 2.605 860 HA PHE 109 HA PHE 109 8.243 -6.563 2.496 861 1HB PHE 109 2HB PHE 109 6.647 -7.752 1.160 862 2HB PHE 109 1HB PHE 109 5.982 -8.564 2.571 863 HD1 PHE 109 1HD PHE 109 6.528 -5.088 1.330 864 HD2 PHE 109 2HD PHE 109 3.966 -7.808 3.365 865 HE1 PHE 109 1HE PHE 109 4.826 -3.323 1.534 866 HE2 PHE 109 2HE PHE 109 2.259 -6.049 3.572 867 HZ PHE 109 HZ PHE 109 2.687 -3.803 2.655 868 H LEU 110 H LEU 110 6.988 -8.824 4.911 869 HA LEU 110 HA LEU 110 5.763 -7.080 6.656 870 1HB LEU 110 2HB LEU 110 6.717 -9.762 6.700 871 2HB LEU 110 1HB LEU 110 7.086 -8.986 8.228 872 HG LEU 110 HG LEU 110 4.354 -9.185 6.966 873 1HD1 LEU 110 1HD1 LEU 110 4.087 -10.480 9.245 874 2HD1 LEU 110 2HD1 LEU 110 5.811 -10.763 9.009 875 3HD1 LEU 110 3HD1 LEU 110 4.656 -11.284 7.781 876 1HD2 LEU 110 1HD2 LEU 110 4.073 -7.288 8.174 877 2HD2 LEU 110 2HD2 LEU 110 5.426 -7.638 9.248 878 3HD2 LEU 110 3HD2 LEU 110 3.879 -8.448 9.489 879 H LEU 111 H LEU 111 9.176 -7.672 6.182 880 HA LEU 111 HA LEU 111 9.976 -6.269 8.566 881 1HB LEU 111 2HB LEU 111 11.568 -7.205 6.179 882 2HB LEU 111 1HB LEU 111 12.265 -6.497 7.624 883 HG LEU 111 HG LEU 111 10.789 -8.539 8.682 884 1HD1 LEU 111 1HD1 LEU 111 10.282 -9.320 6.365 885 2HD1 LEU 111 2HD1 LEU 111 11.102 -10.510 7.376 886 3HD1 LEU 111 3HD1 LEU 111 12.007 -9.622 6.151 887 1HD2 LEU 111 1HD2 LEU 111 13.238 -7.796 8.974 888 2HD2 LEU 111 2HD2 LEU 111 13.592 -8.995 7.730 889 3HD2 LEU 111 3HD2 LEU 111 12.834 -9.492 9.243 890 H THR 112 H THR 112 9.664 -5.521 5.134 891 HA THR 112 HA THR 112 10.963 -2.995 5.280 892 HB THR 112 HB THR 112 8.936 -4.076 3.307 893 HG1 THR 112 1HG THR 112 11.743 -3.801 3.056 894 1HG2 THR 112 1HG2 THR 112 9.479 -2.366 1.803 895 2HG2 THR 112 2HG2 THR 112 10.812 -1.794 2.806 896 3HG2 THR 112 3HG2 THR 112 9.147 -1.558 3.334 897 H ILE 113 H ILE 113 7.668 -4.110 5.680 898 HA ILE 113 HA ILE 113 6.415 -1.584 5.764 899 HB ILE 113 HB ILE 113 5.651 -4.359 6.467 900 1HG1 ILE 113 2HG1 ILE 113 5.256 -3.365 4.237 901 2HG1 ILE 113 1HG1 ILE 113 3.760 -3.855 5.024 902 1HG2 ILE 113 1HG2 ILE 113 4.335 -1.948 7.673 903 2HG2 ILE 113 2HG2 ILE 113 4.842 -3.443 8.459 904 3HG2 ILE 113 3HG2 ILE 113 3.445 -3.443 7.382 905 1HD1 ILE 113 1HD1 ILE 113 4.827 -1.086 4.613 906 2HD1 ILE 113 2HD1 ILE 113 3.536 -1.440 5.762 907 3HD1 ILE 113 3HD1 ILE 113 3.308 -1.780 4.046 908 H LYS 114 H LYS 114 7.413 -3.763 8.428 909 HA LYS 114 HA LYS 114 6.549 -2.305 10.551 910 1HB LYS 114 2HB LYS 114 8.610 -3.198 11.780 911 2HB LYS 114 1HB LYS 114 7.474 -4.359 11.106 912 1HG LYS 114 2HG LYS 114 9.061 -5.275 9.931 913 2HG LYS 114 1HG LYS 114 9.399 -3.736 9.145 914 1HD LYS 114 2HD LYS 114 10.824 -3.120 11.095 915 2HD LYS 114 1HD LYS 114 10.572 -4.743 11.738 916 1HE LYS 114 2HE LYS 114 11.480 -5.530 9.448 917 2HE LYS 114 1HE LYS 114 12.096 -3.885 9.305 918 1HZ LYS 114 1HZ LYS 114 12.966 -4.475 11.721 919 2HZ LYS 114 2HZ LYS 114 13.858 -4.830 10.328 920 3HZ LYS 114 3HZ LYS 114 12.941 -6.038 11.076 921 H HIS 115 H HIS 115 9.785 -2.020 9.099 922 HA HIS 115 HA HIS 115 10.628 0.183 10.557 923 1HB HIS 115 2HB HIS 115 11.739 -1.404 8.660 924 2HB HIS 115 1HB HIS 115 11.529 0.096 7.762 925 HD1 HIS 115 1HD HIS 115 14.011 0.670 7.667 926 HD2 HIS 115 2HD HIS 115 12.586 0.135 11.534 927 HE1 HIS 115 1HE HIS 115 15.847 1.487 9.179 928 HE2 HIS 115 2HE HIS 115 14.993 1.080 11.515 929 H ALA 116 H ALA 116 8.647 -0.015 7.664 930 HA ALA 116 HA ALA 116 8.720 2.629 6.810 931 1HB ALA 116 1HB ALA 116 6.097 1.258 6.713 932 2HB ALA 116 2HB ALA 116 7.455 0.446 5.933 933 3HB ALA 116 3HB ALA 116 6.999 2.076 5.438 934 H PHE 117 H PHE 117 7.008 1.155 9.476 935 HA PHE 117 HA PHE 117 5.315 3.389 10.022 936 1HB PHE 117 2HB PHE 117 6.009 0.836 11.419 937 2HB PHE 117 1HB PHE 117 5.179 2.105 12.315 938 HD1 PHE 117 1HD PHE 117 2.899 2.624 11.898 939 HD2 PHE 117 2HD PHE 117 4.920 -0.251 9.500 940 HE1 PHE 117 1HE PHE 117 0.743 1.886 10.981 941 HE2 PHE 117 2HE PHE 117 2.766 -0.995 8.577 942 HZ PHE 117 HZ PHE 117 0.672 0.080 9.316 943 H GLU 118 H GLU 118 8.326 2.144 11.443 944 HA GLU 118 HA GLU 118 8.514 4.448 13.205 945 1HB GLU 118 2HB GLU 118 10.557 2.258 12.858 946 2HB GLU 118 1HB GLU 118 10.355 3.339 14.231 947 1HG GLU 118 2HG GLU 118 8.072 2.264 14.537 948 2HG GLU 118 1HG GLU 118 8.627 1.033 13.404 949 H GLU 119 H GLU 119 9.060 4.181 10.055 950 HA GLU 119 HA GLU 119 11.507 5.814 10.136 951 1HB GLU 119 2HB GLU 119 10.530 3.921 8.008 952 2HB GLU 119 1HB GLU 119 11.834 5.071 7.751 953 1HG GLU 119 2HG GLU 119 12.332 3.572 10.135 954 2HG GLU 119 1HG GLU 119 11.997 2.474 8.798 955 H TYR 120 H TYR 120 8.220 5.884 9.553 956 HA TYR 120 HA TYR 120 8.415 8.526 8.394 957 1HB TYR 120 2HB TYR 120 8.120 6.403 6.663 958 2HB TYR 120 1HB TYR 120 6.459 6.918 6.922 959 HD1 TYR 120 1HD TYR 120 5.854 9.329 6.446 960 HD2 TYR 120 2HD TYR 120 9.570 7.627 5.271 961 HE1 TYR 120 1HE TYR 120 6.173 11.156 4.831 962 HE2 TYR 120 2HE TYR 120 9.901 9.450 3.654 963 HH TYR 120 HH TYR 120 7.947 12.262 3.629 964 H SER 121 H SER 121 7.614 8.711 10.677 965 HA SER 121 HA SER 121 4.756 9.050 10.631 966 1HB SER 121 2HB SER 121 4.180 7.608 12.433 967 2HB SER 121 1HB SER 121 5.151 6.630 11.333 968 HG SER 121 HG SER 121 6.040 6.249 13.273 Start of MODEL 22 1 1H MET 1 1HT MET 1 -0.221 5.237 13.439 2 2H MET 1 2HT MET 1 0.179 5.839 14.996 3 3H MET 1 3HT MET 1 -1.208 4.848 14.787 4 HA MET 1 HA MET 1 1.523 3.947 14.192 5 1HB MET 1 2HB MET 1 1.302 2.789 16.437 6 2HB MET 1 1HB MET 1 1.559 4.527 16.495 7 1HG MET 1 2HG MET 1 -0.502 4.951 17.331 8 2HG MET 1 1HG MET 1 -1.241 3.578 16.508 9 1HE MET 1 1HE MET 1 -2.067 1.663 19.551 10 2HE MET 1 2HE MET 1 -2.212 1.778 17.797 11 3HE MET 1 3HE MET 1 -2.666 3.147 18.810 12 H LYS 2 H LYS 2 1.539 1.986 13.289 13 HA LYS 2 HA LYS 2 0.860 -0.016 12.460 14 1HB LYS 2 2HB LYS 2 -1.297 0.125 14.571 15 2HB LYS 2 1HB LYS 2 -0.798 -1.312 13.692 16 1HG LYS 2 2HG LYS 2 0.877 0.265 15.634 17 2HG LYS 2 1HG LYS 2 0.138 -1.312 15.919 18 1HD LYS 2 2HD LYS 2 1.923 -2.315 15.051 19 2HD LYS 2 1HD LYS 2 1.671 -1.465 13.526 20 1HE LYS 2 2HE LYS 2 3.163 0.208 14.056 21 2HE LYS 2 1HE LYS 2 2.977 -0.034 15.793 22 1HZ LYS 2 1HZ LYS 2 4.534 -1.642 15.826 23 2HZ LYS 2 2HZ LYS 2 5.088 -0.871 14.426 24 3HZ LYS 2 3HZ LYS 2 4.121 -2.255 14.305 25 H ARG 3 H ARG 3 -1.392 -1.177 11.769 26 HA ARG 3 HA ARG 3 -3.240 -1.170 10.456 27 1HB ARG 3 2HB ARG 3 -3.315 1.815 10.895 28 2HB ARG 3 1HB ARG 3 -4.596 0.831 10.208 29 1HG ARG 3 2HG ARG 3 -5.407 0.850 12.293 30 2HG ARG 3 1HG ARG 3 -4.217 -0.423 12.570 31 1HD ARG 3 2HD ARG 3 -2.805 0.955 13.718 32 2HD ARG 3 1HD ARG 3 -3.339 2.399 12.861 33 HE ARG 3 HE ARG 3 -4.318 1.461 15.334 34 1HH1 ARG 3 1HH1 ARG 3 -5.418 2.892 12.346 35 2HH1 ARG 3 2HH1 ARG 3 -6.796 3.648 13.071 36 1HH2 ARG 3 1HH2 ARG 3 -6.131 2.453 16.288 37 2HH2 ARG 3 2HH2 ARG 3 -7.202 3.400 15.309 38 H VAL 4 H VAL 4 -2.543 -1.761 8.513 39 HA VAL 4 HA VAL 4 -1.293 0.268 6.776 40 HB VAL 4 HB VAL 4 -1.080 -2.742 6.560 41 1HG1 VAL 4 1HG1 VAL 4 0.020 -0.472 4.963 42 2HG1 VAL 4 2HG1 VAL 4 -0.693 -1.989 4.417 43 3HG1 VAL 4 3HG1 VAL 4 0.934 -1.974 5.098 44 1HG2 VAL 4 1HG2 VAL 4 0.941 -0.754 7.602 45 2HG2 VAL 4 2HG2 VAL 4 1.211 -2.483 7.376 46 3HG2 VAL 4 3HG2 VAL 4 0.044 -1.922 8.572 47 H LEU 5 H LEU 5 -1.802 0.026 4.412 48 HA LEU 5 HA LEU 5 -4.554 -0.967 4.044 49 1HB LEU 5 2HB LEU 5 -4.478 1.475 4.005 50 2HB LEU 5 1HB LEU 5 -3.255 1.430 2.749 51 HG LEU 5 HG LEU 5 -4.905 0.328 1.241 52 1HD1 LEU 5 1HD1 LEU 5 -6.973 -0.263 1.873 53 2HD1 LEU 5 2HD1 LEU 5 -7.185 1.166 2.884 54 3HD1 LEU 5 3HD1 LEU 5 -6.300 -0.228 3.501 55 1HD2 LEU 5 1HD2 LEU 5 -6.117 2.879 2.219 56 2HD2 LEU 5 2HD2 LEU 5 -5.871 2.313 0.567 57 3HD2 LEU 5 3HD2 LEU 5 -4.499 2.880 1.518 58 H VAL 6 H VAL 6 -5.016 -2.167 2.274 59 HA VAL 6 HA VAL 6 -2.787 -2.743 0.429 60 HB VAL 6 HB VAL 6 -4.942 -4.720 1.156 61 1HG1 VAL 6 1HG1 VAL 6 -2.521 -4.729 -0.535 62 2HG1 VAL 6 2HG1 VAL 6 -4.037 -5.611 -0.715 63 3HG1 VAL 6 3HG1 VAL 6 -2.815 -6.181 0.422 64 1HG2 VAL 6 1HG2 VAL 6 -3.606 -5.677 2.812 65 2HG2 VAL 6 2HG2 VAL 6 -3.468 -3.945 3.113 66 3HG2 VAL 6 3HG2 VAL 6 -2.166 -4.802 2.289 67 H VAL 7 H VAL 7 -3.203 -2.049 -1.563 68 HA VAL 7 HA VAL 7 -6.002 -1.893 -2.450 69 HB VAL 7 HB VAL 7 -3.573 -0.499 -3.598 70 1HG1 VAL 7 1HG1 VAL 7 -5.746 -1.062 -5.016 71 2HG1 VAL 7 2HG1 VAL 7 -4.877 0.462 -5.190 72 3HG1 VAL 7 3HG1 VAL 7 -6.335 0.387 -4.202 73 1HG2 VAL 7 1HG2 VAL 7 -5.753 0.480 -1.770 74 2HG2 VAL 7 2HG2 VAL 7 -4.663 1.549 -2.652 75 3HG2 VAL 7 3HG2 VAL 7 -4.019 0.428 -1.453 76 H ASP 8 H ASP 8 -6.612 -3.612 -3.601 77 HA ASP 8 HA ASP 8 -5.027 -4.450 -5.876 78 1HB ASP 8 2HB ASP 8 -4.078 -5.825 -4.087 79 2HB ASP 8 1HB ASP 8 -5.686 -6.381 -3.638 80 H ASP 9 H ASP 9 -6.202 -5.877 -7.317 81 HA ASP 9 HA ASP 9 -9.025 -5.273 -7.296 82 1HB ASP 9 2HB ASP 9 -7.489 -5.213 -9.343 83 2HB ASP 9 1HB ASP 9 -7.603 -6.970 -9.337 84 H GLU 10 H GLU 10 -7.346 -8.345 -7.989 85 HA GLU 10 HA GLU 10 -9.644 -9.817 -7.027 86 1HB GLU 10 2HB GLU 10 -7.009 -10.722 -8.193 87 2HB GLU 10 1HB GLU 10 -8.299 -11.817 -7.713 88 1HG GLU 10 2HG GLU 10 -9.143 -9.676 -9.520 89 2HG GLU 10 1HG GLU 10 -7.963 -10.792 -10.204 90 H GLU 11 H GLU 11 -8.980 -11.927 -5.747 91 HA GLU 11 HA GLU 11 -7.707 -10.963 -3.296 92 1HB GLU 11 2HB GLU 11 -9.202 -13.558 -3.636 93 2HB GLU 11 1HB GLU 11 -8.868 -12.686 -2.147 94 1HG GLU 11 2HG GLU 11 -10.290 -10.814 -3.380 95 2HG GLU 11 1HG GLU 11 -10.960 -12.230 -4.189 96 H SER 12 H SER 12 -5.606 -11.169 -4.512 97 HA SER 12 HA SER 12 -4.621 -13.940 -4.516 98 1HB SER 12 2HB SER 12 -3.274 -11.537 -5.759 99 2HB SER 12 1HB SER 12 -2.903 -13.239 -6.032 100 HG SER 12 HG SER 12 -5.166 -13.342 -6.834 101 H ILE 13 H ILE 13 -4.003 -10.702 -3.294 102 HA ILE 13 HA ILE 13 -1.893 -11.796 -1.555 103 HB ILE 13 HB ILE 13 -2.364 -8.966 -2.497 104 1HG1 ILE 13 2HG1 ILE 13 -0.081 -9.234 -3.440 105 2HG1 ILE 13 1HG1 ILE 13 -0.079 -10.909 -2.897 106 1HG2 ILE 13 1HG2 ILE 13 -0.359 -9.986 -0.489 107 2HG2 ILE 13 2HG2 ILE 13 -1.695 -8.878 -0.176 108 3HG2 ILE 13 3HG2 ILE 13 -0.349 -8.371 -1.198 109 1HD1 ILE 13 1HD1 ILE 13 -0.719 -10.226 -5.364 110 2HD1 ILE 13 2HD1 ILE 13 -2.311 -10.029 -4.632 111 3HD1 ILE 13 3HD1 ILE 13 -1.486 -11.585 -4.541 112 H THR 14 H THR 14 -4.883 -9.975 -1.658 113 HA THR 14 HA THR 14 -5.012 -9.019 0.942 114 HB THR 14 HB THR 14 -7.460 -9.035 0.656 115 HG1 THR 14 1HG THR 14 -6.821 -10.690 -1.538 116 1HG2 THR 14 1HG2 THR 14 -6.086 -7.305 -0.506 117 2HG2 THR 14 2HG2 THR 14 -7.652 -7.636 -1.247 118 3HG2 THR 14 3HG2 THR 14 -6.180 -8.299 -1.959 119 H SER 15 H SER 15 -5.991 -12.192 -0.315 120 HA SER 15 HA SER 15 -6.776 -13.126 2.302 121 1HB SER 15 2HB SER 15 -6.493 -14.571 -0.336 122 2HB SER 15 1HB SER 15 -7.135 -15.293 1.139 123 HG SER 15 HG SER 15 -8.782 -13.687 1.094 124 H SER 16 H SER 16 -4.398 -12.376 2.832 125 HA SER 16 HA SER 16 -2.996 -14.502 3.840 126 1HB SER 16 2HB SER 16 -2.280 -13.914 1.025 127 2HB SER 16 1HB SER 16 -0.948 -14.206 2.143 128 HG SER 16 HG SER 16 -1.812 -16.112 1.075 129 H LEU 17 H LEU 17 -2.163 -11.565 2.022 130 HA LEU 17 HA LEU 17 -0.105 -10.694 3.712 131 1HB LEU 17 2HB LEU 17 -0.365 -9.813 1.482 132 2HB LEU 17 1HB LEU 17 -1.953 -9.184 1.862 133 HG LEU 17 HG LEU 17 0.094 -7.583 1.721 134 1HD1 LEU 17 1HD1 LEU 17 -2.129 -6.881 2.309 135 2HD1 LEU 17 2HD1 LEU 17 -0.951 -6.099 3.362 136 3HD1 LEU 17 3HD1 LEU 17 -1.911 -7.451 3.959 137 1HD2 LEU 17 1HD2 LEU 17 1.163 -7.191 3.900 138 2HD2 LEU 17 2HD2 LEU 17 1.555 -8.777 3.238 139 3HD2 LEU 17 3HD2 LEU 17 0.371 -8.630 4.536 140 H SER 18 H SER 18 -3.501 -9.581 3.562 141 HA SER 18 HA SER 18 -3.421 -7.873 5.754 142 1HB SER 18 2HB SER 18 -5.756 -9.577 4.844 143 2HB SER 18 1HB SER 18 -5.861 -8.144 5.864 144 HG SER 18 HG SER 18 -5.831 -6.986 4.124 145 H ALA 19 H ALA 19 -4.026 -11.352 5.611 146 HA ALA 19 HA ALA 19 -4.643 -11.722 8.340 147 1HB ALA 19 1HB ALA 19 -5.247 -13.579 7.185 148 2HB ALA 19 2HB ALA 19 -3.645 -14.116 7.689 149 3HB ALA 19 3HB ALA 19 -3.887 -13.461 6.069 150 H ILE 20 H ILE 20 -1.624 -11.747 6.534 151 HA ILE 20 HA ILE 20 0.092 -12.710 8.515 152 HB ILE 20 HB ILE 20 0.515 -10.872 6.171 153 1HG1 ILE 20 2HG1 ILE 20 1.768 -13.550 6.696 154 2HG1 ILE 20 1HG1 ILE 20 0.148 -13.408 6.018 155 1HG2 ILE 20 1HG2 ILE 20 3.032 -11.374 6.715 156 2HG2 ILE 20 2HG2 ILE 20 2.429 -11.495 8.368 157 3HG2 ILE 20 3HG2 ILE 20 2.206 -10.003 7.455 158 1HD1 ILE 20 1HD1 ILE 20 2.650 -13.257 4.697 159 2HD1 ILE 20 2HD1 ILE 20 1.837 -11.700 4.537 160 3HD1 ILE 20 3HD1 ILE 20 1.027 -13.176 4.009 161 H LEU 21 H LEU 21 -0.322 -9.287 7.593 162 HA LEU 21 HA LEU 21 1.038 -8.109 9.661 163 1HB LEU 21 2HB LEU 21 -1.554 -7.091 8.519 164 2HB LEU 21 1HB LEU 21 -0.289 -6.138 9.268 165 HG LEU 21 HG LEU 21 0.710 -7.694 7.030 166 1HD1 LEU 21 1HD1 LEU 21 -0.786 -7.299 5.461 167 2HD1 LEU 21 2HD1 LEU 21 -0.724 -5.569 5.793 168 3HD1 LEU 21 3HD1 LEU 21 -1.862 -6.596 6.665 169 1HD2 LEU 21 1HD2 LEU 21 0.712 -4.802 7.843 170 2HD2 LEU 21 2HD2 LEU 21 1.485 -5.389 6.371 171 3HD2 LEU 21 3HD2 LEU 21 2.031 -5.968 7.945 172 H GLU 22 H GLU 22 -2.229 -9.416 9.662 173 HA GLU 22 HA GLU 22 -3.057 -8.417 12.159 174 1HB GLU 22 2HB GLU 22 -3.902 -10.778 10.511 175 2HB GLU 22 1HB GLU 22 -4.605 -10.471 12.092 176 1HG GLU 22 2HG GLU 22 -5.379 -8.294 11.344 177 2HG GLU 22 1HG GLU 22 -4.641 -8.562 9.766 178 H GLU 23 H GLU 23 -1.038 -11.120 11.253 179 HA GLU 23 HA GLU 23 -1.145 -12.383 13.830 180 1HB GLU 23 2HB GLU 23 -0.659 -13.843 12.041 181 2HB GLU 23 1HB GLU 23 0.537 -12.750 11.359 182 1HG GLU 23 2HG GLU 23 2.181 -13.614 12.574 183 2HG GLU 23 1HG GLU 23 1.211 -13.621 14.046 184 H GLU 24 H GLU 24 0.888 -10.074 12.163 185 HA GLU 24 HA GLU 24 2.925 -10.031 14.177 186 1HB GLU 24 2HB GLU 24 2.341 -8.137 11.900 187 2HB GLU 24 1HB GLU 24 3.768 -8.057 12.926 188 1HG GLU 24 2HG GLU 24 3.194 -10.625 11.566 189 2HG GLU 24 1HG GLU 24 3.767 -9.281 10.582 190 H GLY 25 H GLY 25 -0.189 -8.799 14.049 191 1HA GLY 25 2HA GLY 25 -1.200 -7.641 15.839 192 2HA GLY 25 1HA GLY 25 0.382 -7.027 16.295 193 H TYR 26 H TYR 26 -1.491 -6.954 13.276 194 HA TYR 26 HA TYR 26 -1.236 -4.016 13.290 195 1HB TYR 26 2HB TYR 26 -0.922 -5.983 11.036 196 2HB TYR 26 1HB TYR 26 -1.293 -4.294 10.730 197 HD1 TYR 26 1HD TYR 26 0.339 -2.572 11.862 198 HD2 TYR 26 2HD TYR 26 1.283 -6.652 11.121 199 HE1 TYR 26 1HE TYR 26 2.735 -2.025 11.938 200 HE2 TYR 26 2HE TYR 26 3.680 -6.118 11.193 201 HH TYR 26 HH TYR 26 4.943 -3.503 12.512 202 H HIS 27 H HIS 27 -2.749 -3.241 11.325 203 HA HIS 27 HA HIS 27 -5.351 -4.559 11.457 204 1HB HIS 27 2HB HIS 27 -4.823 -2.348 13.033 205 2HB HIS 27 1HB HIS 27 -5.552 -1.634 11.600 206 HD1 HIS 27 1HD HIS 27 -8.032 -2.252 11.100 207 HD2 HIS 27 2HD HIS 27 -6.550 -3.809 14.656 208 HE1 HIS 27 1HE HIS 27 -10.048 -3.035 12.382 209 HE2 HIS 27 2HE HIS 27 -9.120 -4.048 14.494 210 HA PRO 28 HA PRO 28 -4.211 -3.101 7.264 211 1HB PRO 28 2HB PRO 28 -4.360 -5.453 5.983 212 2HB PRO 28 1HB PRO 28 -2.938 -4.976 6.916 213 1HG PRO 28 2HG PRO 28 -5.109 -6.881 7.613 214 2HG PRO 28 1HG PRO 28 -3.390 -6.940 8.021 215 1HD PRO 28 2HD PRO 28 -5.451 -6.075 9.705 216 2HD PRO 28 1HD PRO 28 -3.720 -5.785 9.950 217 H ASP 29 H ASP 29 -5.477 -2.648 5.529 218 HA ASP 29 HA ASP 29 -8.205 -3.726 5.484 219 1HB ASP 29 2HB ASP 29 -7.619 -1.165 6.310 220 2HB ASP 29 1HB ASP 29 -8.020 -0.951 4.610 221 H THR 30 H THR 30 -8.904 -4.293 3.476 222 HA THR 30 HA THR 30 -7.021 -3.820 1.287 223 HB THR 30 HB THR 30 -8.091 -5.667 0.142 224 HG1 THR 30 1HG THR 30 -10.218 -5.373 0.838 225 1HG2 THR 30 1HG2 THR 30 -6.984 -7.206 1.287 226 2HG2 THR 30 2HG2 THR 30 -8.041 -7.030 2.687 227 3HG2 THR 30 3HG2 THR 30 -6.656 -5.956 2.488 228 H ALA 31 H ALA 31 -7.662 -3.036 -0.710 229 HA ALA 31 HA ALA 31 -10.384 -2.044 -1.027 230 1HB ALA 31 1HB ALA 31 -9.377 -0.164 0.038 231 2HB ALA 31 2HB ALA 31 -9.498 0.217 -1.680 232 3HB ALA 31 3HB ALA 31 -7.949 -0.270 -0.991 233 H LYS 32 H LYS 32 -10.986 -1.751 -3.187 234 HA LYS 32 HA LYS 32 -9.583 -3.281 -5.090 235 1HB LYS 32 2HB LYS 32 -11.664 -1.158 -5.643 236 2HB LYS 32 1HB LYS 32 -11.212 -2.486 -6.702 237 1HG LYS 32 2HG LYS 32 -12.006 -4.050 -4.899 238 2HG LYS 32 1HG LYS 32 -12.674 -2.635 -4.084 239 1HD LYS 32 2HD LYS 32 -14.432 -2.557 -5.464 240 2HD LYS 32 1HD LYS 32 -13.411 -2.738 -6.893 241 1HE LYS 32 2HE LYS 32 -13.262 -5.230 -6.051 242 2HE LYS 32 1HE LYS 32 -14.775 -4.814 -5.247 243 1HZ LYS 32 1HZ LYS 32 -15.427 -3.941 -7.573 244 2HZ LYS 32 2HZ LYS 32 -15.484 -5.606 -7.272 245 3HZ LYS 32 3HZ LYS 32 -14.184 -4.945 -8.127 246 H THR 33 H THR 33 -9.686 -1.566 -7.425 247 HA THR 33 HA THR 33 -7.138 -0.648 -7.542 248 HB THR 33 HB THR 33 -7.955 0.851 -9.412 249 HG1 THR 33 1HG THR 33 -10.454 -0.333 -8.802 250 1HG2 THR 33 1HG2 THR 33 -7.553 -1.780 -9.475 251 2HG2 THR 33 2HG2 THR 33 -8.106 -0.857 -10.874 252 3HG2 THR 33 3HG2 THR 33 -9.268 -1.747 -9.890 253 H LEU 34 H LEU 34 -6.518 1.685 -8.037 254 HA LEU 34 HA LEU 34 -6.327 3.131 -5.751 255 1HB LEU 34 2HB LEU 34 -6.412 4.308 -8.525 256 2HB LEU 34 1HB LEU 34 -5.651 5.022 -7.114 257 HG LEU 34 HG LEU 34 -4.771 2.325 -8.075 258 1HD1 LEU 34 1HD1 LEU 34 -3.362 3.152 -9.694 259 2HD1 LEU 34 2HD1 LEU 34 -3.418 4.796 -9.057 260 3HD1 LEU 34 3HD1 LEU 34 -4.802 4.141 -9.933 261 1HD2 LEU 34 1HD2 LEU 34 -4.084 3.921 -5.934 262 2HD2 LEU 34 2HD2 LEU 34 -2.795 4.214 -7.102 263 3HD2 LEU 34 3HD2 LEU 34 -3.149 2.569 -6.573 264 H ARG 35 H ARG 35 -9.017 3.164 -7.988 265 HA ARG 35 HA ARG 35 -10.251 5.543 -7.145 266 1HB ARG 35 2HB ARG 35 -11.388 2.975 -8.256 267 2HB ARG 35 1HB ARG 35 -12.384 4.382 -7.913 268 1HG ARG 35 2HG ARG 35 -9.991 4.794 -9.608 269 2HG ARG 35 1HG ARG 35 -11.351 3.914 -10.309 270 1HD ARG 35 2HD ARG 35 -12.843 5.762 -9.763 271 2HD ARG 35 1HD ARG 35 -11.504 6.636 -9.018 272 HE ARG 35 HE ARG 35 -12.078 6.401 -11.825 273 1HH1 ARG 35 1HH1 ARG 35 -9.585 6.992 -9.455 274 2HH1 ARG 35 2HH1 ARG 35 -8.571 7.864 -10.556 275 1HH2 ARG 35 1HH2 ARG 35 -10.746 7.546 -13.273 276 2HH2 ARG 35 2HH2 ARG 35 -9.230 8.178 -12.725 277 H GLU 36 H GLU 36 -11.048 2.199 -6.199 278 HA GLU 36 HA GLU 36 -12.706 2.875 -4.047 279 1HB GLU 36 2HB GLU 36 -12.366 0.595 -5.207 280 2HB GLU 36 1HB GLU 36 -11.014 0.385 -4.101 281 1HG GLU 36 2HG GLU 36 -12.812 -0.697 -3.078 282 2HG GLU 36 1HG GLU 36 -12.669 0.844 -2.233 283 H ALA 37 H ALA 37 -9.217 2.366 -4.270 284 HA ALA 37 HA ALA 37 -8.621 2.395 -1.526 285 1HB ALA 37 1HB ALA 37 -6.372 3.363 -2.356 286 2HB ALA 37 2HB ALA 37 -7.047 3.139 -3.969 287 3HB ALA 37 3HB ALA 37 -6.846 1.754 -2.899 288 H GLU 38 H GLU 38 -8.718 5.075 -3.876 289 HA GLU 38 HA GLU 38 -8.006 7.169 -2.263 290 1HB GLU 38 2HB GLU 38 -9.899 6.932 -4.553 291 2HB GLU 38 1HB GLU 38 -9.854 8.439 -3.649 292 1HG GLU 38 2HG GLU 38 -7.400 8.530 -4.070 293 2HG GLU 38 1HG GLU 38 -7.590 7.135 -5.131 294 H LYS 39 H LYS 39 -11.253 5.765 -2.622 295 HA LYS 39 HA LYS 39 -12.553 7.439 -0.792 296 1HB LYS 39 2HB LYS 39 -13.757 5.909 -2.283 297 2HB LYS 39 1HB LYS 39 -13.095 4.529 -1.418 298 1HG LYS 39 2HG LYS 39 -14.597 6.518 0.174 299 2HG LYS 39 1HG LYS 39 -15.519 5.505 -0.937 300 1HD LYS 39 2HD LYS 39 -14.430 3.510 0.093 301 2HD LYS 39 1HD LYS 39 -13.700 4.586 1.285 302 1HE LYS 39 2HE LYS 39 -15.535 4.186 2.501 303 2HE LYS 39 1HE LYS 39 -16.334 5.306 1.398 304 1HZ LYS 39 1HZ LYS 39 -16.564 2.418 1.597 305 2HZ LYS 39 2HZ LYS 39 -16.527 3.039 0.024 306 3HZ LYS 39 3HZ LYS 39 -17.709 3.566 1.113 307 H LYS 40 H LYS 40 -11.176 4.193 -0.280 308 HA LYS 40 HA LYS 40 -11.529 4.076 2.479 309 1HB LYS 40 2HB LYS 40 -9.336 2.823 0.823 310 2HB LYS 40 1HB LYS 40 -9.768 2.353 2.462 311 1HG LYS 40 2HG LYS 40 -12.067 2.322 0.711 312 2HG LYS 40 1HG LYS 40 -10.768 1.296 0.102 313 1HD LYS 40 2HD LYS 40 -11.014 -0.202 1.761 314 2HD LYS 40 1HD LYS 40 -11.248 1.048 2.984 315 1HE LYS 40 2HE LYS 40 -13.348 0.199 0.994 316 2HE LYS 40 1HE LYS 40 -13.226 -0.429 2.637 317 1HZ LYS 40 1HZ LYS 40 -13.907 2.307 1.759 318 2HZ LYS 40 2HZ LYS 40 -13.349 2.008 3.327 319 3HZ LYS 40 3HZ LYS 40 -14.775 1.277 2.785 320 H ILE 41 H ILE 41 -9.152 5.789 0.599 321 HA ILE 41 HA ILE 41 -7.540 6.325 2.987 322 HB ILE 41 HB ILE 41 -7.016 7.235 0.168 323 1HG1 ILE 41 2HG1 ILE 41 -5.514 4.990 1.443 324 2HG1 ILE 41 1HG1 ILE 41 -7.100 4.654 0.759 325 1HG2 ILE 41 1HG2 ILE 41 -5.423 7.259 2.706 326 2HG2 ILE 41 2HG2 ILE 41 -5.758 8.585 1.592 327 3HG2 ILE 41 3HG2 ILE 41 -4.635 7.306 1.128 328 1HD1 ILE 41 1HD1 ILE 41 -6.337 5.519 -1.400 329 2HD1 ILE 41 2HD1 ILE 41 -5.354 4.167 -0.839 330 3HD1 ILE 41 3HD1 ILE 41 -4.744 5.816 -0.706 331 H LYS 42 H LYS 42 -10.170 7.660 1.420 332 HA LYS 42 HA LYS 42 -9.441 10.418 2.046 333 1HB LYS 42 2HB LYS 42 -11.386 9.121 0.263 334 2HB LYS 42 1HB LYS 42 -11.951 10.588 1.052 335 1HG LYS 42 2HG LYS 42 -9.279 10.846 -0.073 336 2HG LYS 42 1HG LYS 42 -10.513 10.467 -1.275 337 1HD LYS 42 2HD LYS 42 -11.750 12.385 0.229 338 2HD LYS 42 1HD LYS 42 -10.069 12.918 0.266 339 1HE LYS 42 2HE LYS 42 -10.738 13.945 -1.654 340 2HE LYS 42 1HE LYS 42 -10.230 12.396 -2.323 341 1HZ LYS 42 1HZ LYS 42 -12.556 11.660 -2.193 342 2HZ LYS 42 2HZ LYS 42 -12.366 13.002 -3.204 343 3HZ LYS 42 3HZ LYS 42 -13.010 13.196 -1.651 344 H GLU 43 H GLU 43 -10.033 8.312 4.071 345 HA GLU 43 HA GLU 43 -12.027 9.848 5.557 346 1HB GLU 43 2HB GLU 43 -12.075 6.840 5.290 347 2HB GLU 43 1HB GLU 43 -13.103 7.782 6.361 348 1HG GLU 43 2HG GLU 43 -14.334 8.670 4.605 349 2HG GLU 43 1HG GLU 43 -13.090 8.293 3.415 350 H LEU 44 H LEU 44 -9.942 6.969 5.868 351 HA LEU 44 HA LEU 44 -9.189 7.879 8.547 352 1HB LEU 44 2HB LEU 44 -9.814 5.682 8.775 353 2HB LEU 44 1HB LEU 44 -9.283 5.249 7.163 354 HG LEU 44 HG LEU 44 -7.182 5.931 9.153 355 1HD1 LEU 44 1HD1 LEU 44 -7.365 3.305 9.607 356 2HD1 LEU 44 2HD1 LEU 44 -9.077 3.683 9.411 357 3HD1 LEU 44 3HD1 LEU 44 -8.126 4.516 10.640 358 1HD2 LEU 44 1HD2 LEU 44 -6.079 4.033 7.951 359 2HD2 LEU 44 2HD2 LEU 44 -6.487 5.415 6.933 360 3HD2 LEU 44 3HD2 LEU 44 -7.491 3.967 6.896 361 H PHE 45 H PHE 45 -6.965 7.912 9.178 362 HA PHE 45 HA PHE 45 -5.233 8.821 7.035 363 1HB PHE 45 2HB PHE 45 -5.495 9.972 9.303 364 2HB PHE 45 1HB PHE 45 -4.529 8.656 9.963 365 HD1 PHE 45 1HD PHE 45 -4.485 11.797 8.243 366 HD2 PHE 45 2HD PHE 45 -2.198 8.304 9.065 367 HE1 PHE 45 1HE PHE 45 -2.430 13.001 7.624 368 HE2 PHE 45 2HE PHE 45 -0.140 9.500 8.447 369 HZ PHE 45 HZ PHE 45 -0.253 11.853 7.727 370 H PHE 46 H PHE 46 -4.938 6.754 5.994 371 HA PHE 46 HA PHE 46 -3.788 4.537 7.330 372 1HB PHE 46 2HB PHE 46 -4.189 5.310 4.470 373 2HB PHE 46 1HB PHE 46 -3.111 3.969 4.846 374 HD1 PHE 46 1HD PHE 46 -6.285 4.658 3.832 375 HD2 PHE 46 2HD PHE 46 -4.245 2.395 6.804 376 HE1 PHE 46 1HE PHE 46 -8.224 3.152 4.012 377 HE2 PHE 46 2HE PHE 46 -6.180 0.885 6.988 378 HZ PHE 46 HZ PHE 46 -8.173 1.266 5.593 379 HA PRO 47 HA PRO 47 0.320 6.338 7.583 380 1HB PRO 47 2HB PRO 47 1.470 4.299 8.949 381 2HB PRO 47 1HB PRO 47 0.424 5.497 9.721 382 1HG PRO 47 2HG PRO 47 -0.213 2.717 8.826 383 2HG PRO 47 1HG PRO 47 -0.710 3.563 10.302 384 1HD PRO 47 2HD PRO 47 -2.329 3.267 8.130 385 2HD PRO 47 1HD PRO 47 -2.444 4.635 9.252 386 H VAL 48 H VAL 48 -0.259 2.963 6.647 387 HA VAL 48 HA VAL 48 1.957 3.212 4.729 388 HB VAL 48 HB VAL 48 1.131 0.649 6.081 389 1HG1 VAL 48 1HG1 VAL 48 2.208 0.272 3.970 390 2HG1 VAL 48 2HG1 VAL 48 3.350 -0.114 5.256 391 3HG1 VAL 48 3HG1 VAL 48 3.498 1.406 4.374 392 1HG2 VAL 48 1HG2 VAL 48 2.007 2.302 7.696 393 2HG2 VAL 48 2HG2 VAL 48 3.485 2.411 6.739 394 3HG2 VAL 48 3HG2 VAL 48 3.049 0.891 7.520 395 H ILE 49 H ILE 49 1.422 2.939 2.682 396 HA ILE 49 HA ILE 49 -1.110 1.574 2.039 397 HB ILE 49 HB ILE 49 0.226 3.575 0.232 398 1HG1 ILE 49 2HG1 ILE 49 -0.219 4.627 2.456 399 2HG1 ILE 49 1HG1 ILE 49 -1.147 5.339 1.140 400 1HG2 ILE 49 1HG2 ILE 49 -2.675 2.811 0.466 401 2HG2 ILE 49 2HG2 ILE 49 -1.538 2.004 -0.613 402 3HG2 ILE 49 3HG2 ILE 49 -1.894 3.718 -0.830 403 1HD1 ILE 49 1HD1 ILE 49 -2.384 4.970 3.291 404 2HD1 ILE 49 2HD1 ILE 49 -2.260 3.239 2.974 405 3HD1 ILE 49 3HD1 ILE 49 -3.133 4.281 1.851 406 H VAL 50 H VAL 50 -1.062 -0.093 0.632 407 HA VAL 50 HA VAL 50 1.437 -0.585 -0.846 408 HB VAL 50 HB VAL 50 -0.135 -2.682 0.657 409 1HG1 VAL 50 1HG1 VAL 50 2.424 -3.577 -0.231 410 2HG1 VAL 50 2HG1 VAL 50 1.535 -2.936 -1.613 411 3HG1 VAL 50 3HG1 VAL 50 0.830 -4.216 -0.627 412 1HG2 VAL 50 1HG2 VAL 50 2.713 -2.214 1.239 413 2HG2 VAL 50 2HG2 VAL 50 1.374 -2.571 2.329 414 3HG2 VAL 50 3HG2 VAL 50 1.613 -0.929 1.733 415 H LEU 51 H LEU 51 0.930 -0.407 -2.910 416 HA LEU 51 HA LEU 51 -1.685 -1.030 -3.935 417 1HB LEU 51 2HB LEU 51 -0.110 0.806 -4.752 418 2HB LEU 51 1HB LEU 51 0.796 -0.467 -5.546 419 HG LEU 51 HG LEU 51 -1.026 -0.975 -7.005 420 1HD1 LEU 51 1HD1 LEU 51 -2.917 -0.850 -5.595 421 2HD1 LEU 51 2HD1 LEU 51 -3.155 0.373 -6.843 422 3HD1 LEU 51 3HD1 LEU 51 -2.625 0.849 -5.230 423 1HD2 LEU 51 1HD2 LEU 51 -0.396 1.932 -6.686 424 2HD2 LEU 51 2HD2 LEU 51 -1.511 1.385 -7.938 425 3HD2 LEU 51 3HD2 LEU 51 0.152 0.798 -7.920 426 H ASP 52 H ASP 52 -1.790 -2.426 -6.002 427 HA ASP 52 HA ASP 52 -0.055 -4.782 -5.754 428 1HB ASP 52 2HB ASP 52 -2.450 -4.918 -4.661 429 2HB ASP 52 1HB ASP 52 -2.959 -5.190 -6.325 430 H VAL 53 H VAL 53 -2.679 -3.403 -7.750 431 HA VAL 53 HA VAL 53 -2.944 -3.255 -10.009 432 HB VAL 53 HB VAL 53 0.053 -3.579 -10.224 433 1HG1 VAL 53 1HG1 VAL 53 -0.129 -2.856 -12.344 434 2HG1 VAL 53 2HG1 VAL 53 -1.409 -1.709 -11.954 435 3HG1 VAL 53 3HG1 VAL 53 -1.795 -3.412 -12.194 436 1HG2 VAL 53 1HG2 VAL 53 -0.236 -1.882 -8.598 437 2HG2 VAL 53 2HG2 VAL 53 -1.569 -1.152 -9.491 438 3HG2 VAL 53 3HG2 VAL 53 0.074 -1.056 -10.124 439 H TRP 54 H TRP 54 -3.304 -5.774 -8.888 440 HA TRP 54 HA TRP 54 -1.907 -7.847 -10.168 441 1HB TRP 54 2HB TRP 54 -3.210 -8.289 -8.182 442 2HB TRP 54 1HB TRP 54 -4.691 -7.782 -8.984 443 HD1 TRP 54 HD TRP 54 -6.135 -9.756 -9.709 444 HE1 TRP 54 1HE TRP 54 -5.721 -12.196 -10.415 445 HE3 TRP 54 3HE TRP 54 -1.032 -9.823 -9.444 446 HZ2 TRP 54 2HZ TRP 54 -3.523 -13.921 -10.808 447 HZ3 TRP 54 3HZ TRP 54 0.151 -11.908 -10.001 448 HH2 TRP 54 HH TRP 54 -1.070 -13.915 -10.668 449 H MET 55 H MET 55 -5.365 -7.693 -10.770 450 HA MET 55 HA MET 55 -5.020 -8.479 -13.479 451 1HB MET 55 2HB MET 55 -6.960 -9.162 -12.128 452 2HB MET 55 1HB MET 55 -7.506 -7.492 -12.070 453 1HG MET 55 2HG MET 55 -8.795 -8.240 -13.773 454 2HG MET 55 1HG MET 55 -7.380 -7.735 -14.695 455 1HE MET 55 1HE MET 55 -9.889 -9.607 -14.882 456 2HE MET 55 2HE MET 55 -9.600 -11.345 -14.799 457 3HE MET 55 3HE MET 55 -9.233 -10.460 -16.280 458 HA PRO 56 HA PRO 56 -6.480 -3.985 -14.476 459 1HB PRO 56 2HB PRO 56 -6.274 -2.114 -12.541 460 2HB PRO 56 1HB PRO 56 -7.716 -3.122 -12.729 461 1HG PRO 56 2HG PRO 56 -5.418 -3.440 -10.832 462 2HG PRO 56 1HG PRO 56 -7.158 -3.579 -10.512 463 1HD PRO 56 2HD PRO 56 -5.568 -5.735 -10.880 464 2HD PRO 56 1HD PRO 56 -7.272 -5.714 -11.373 465 H ASP 57 H ASP 57 -5.281 -1.616 -14.176 466 HA ASP 57 HA ASP 57 -2.484 -1.810 -13.627 467 1HB ASP 57 2HB ASP 57 -3.087 -2.848 -16.026 468 2HB ASP 57 1HB ASP 57 -2.919 -1.154 -16.474 469 H GLY 58 H GLY 58 -4.061 -0.092 -12.450 470 1HA GLY 58 2HA GLY 58 -4.662 2.309 -13.767 471 2HA GLY 58 1HA GLY 58 -4.426 2.131 -12.034 472 H ASP 59 H ASP 59 -3.314 3.651 -14.744 473 HA ASP 59 HA ASP 59 -0.535 3.797 -13.876 474 1HB ASP 59 2HB ASP 59 -0.286 5.234 -15.944 475 2HB ASP 59 1HB ASP 59 -0.783 3.571 -16.238 476 H GLY 60 H GLY 60 -2.648 4.919 -12.219 477 1HA GLY 60 2HA GLY 60 -2.694 7.751 -12.512 478 2HA GLY 60 1HA GLY 60 -3.189 6.845 -11.089 479 H VAL 61 H VAL 61 -0.187 7.656 -12.840 480 HA VAL 61 HA VAL 61 1.632 7.314 -10.822 481 HB VAL 61 HB VAL 61 1.699 9.585 -12.809 482 1HG1 VAL 61 1HG1 VAL 61 3.837 8.107 -11.299 483 2HG1 VAL 61 2HG1 VAL 61 3.408 9.813 -11.169 484 3HG1 VAL 61 3HG1 VAL 61 4.158 9.201 -12.644 485 1HG2 VAL 61 1HG2 VAL 61 1.783 6.714 -13.220 486 2HG2 VAL 61 2HG2 VAL 61 3.237 7.516 -13.815 487 3HG2 VAL 61 3HG2 VAL 61 1.652 8.020 -14.398 488 H ASN 62 H ASN 62 -0.376 10.144 -11.483 489 HA ASN 62 HA ASN 62 0.684 11.857 -9.546 490 1HB ASN 62 2HB ASN 62 -1.411 11.934 -11.411 491 2HB ASN 62 1HB ASN 62 -2.168 12.235 -9.850 492 1HD2 ASN 62 1HD2 ASN 62 -0.253 13.498 -12.355 493 2HD2 ASN 62 2HD2 ASN 62 0.064 15.045 -11.654 494 H PHE 63 H PHE 63 -1.231 9.031 -9.176 495 HA PHE 63 HA PHE 63 -2.741 9.513 -6.931 496 1HB PHE 63 2HB PHE 63 -2.710 7.368 -8.200 497 2HB PHE 63 1HB PHE 63 -1.171 6.977 -7.437 498 HD1 PHE 63 1HD PHE 63 -4.562 8.138 -6.400 499 HD2 PHE 63 2HD PHE 63 -1.273 5.546 -5.638 500 HE1 PHE 63 1HE PHE 63 -5.761 7.187 -4.477 501 HE2 PHE 63 2HE PHE 63 -2.472 4.588 -3.713 502 HZ PHE 63 HZ PHE 63 -4.725 5.410 -3.132 503 H ILE 64 H ILE 64 0.715 8.702 -7.074 504 HA ILE 64 HA ILE 64 1.288 8.347 -4.411 505 HB ILE 64 HB ILE 64 3.017 9.960 -6.290 506 1HG1 ILE 64 2HG1 ILE 64 3.691 7.144 -6.019 507 2HG1 ILE 64 1HG1 ILE 64 2.081 7.364 -6.696 508 1HG2 ILE 64 1HG2 ILE 64 4.769 9.598 -4.874 509 2HG2 ILE 64 2HG2 ILE 64 4.091 8.100 -4.237 510 3HG2 ILE 64 3HG2 ILE 64 3.453 9.655 -3.703 511 1HD1 ILE 64 1HD1 ILE 64 4.715 7.954 -7.843 512 2HD1 ILE 64 2HD1 ILE 64 3.460 9.149 -8.156 513 3HD1 ILE 64 3HD1 ILE 64 3.213 7.467 -8.627 514 H ASP 65 H ASP 65 0.500 11.298 -6.089 515 HA ASP 65 HA ASP 65 1.362 13.104 -4.082 516 1HB ASP 65 2HB ASP 65 0.340 13.337 -6.652 517 2HB ASP 65 1HB ASP 65 -0.934 14.018 -5.644 518 H PHE 66 H PHE 66 -1.887 11.823 -4.894 519 HA PHE 66 HA PHE 66 -3.396 12.999 -2.965 520 1HB PHE 66 2HB PHE 66 -4.534 11.664 -4.512 521 2HB PHE 66 1HB PHE 66 -3.471 10.288 -4.257 522 HD1 PHE 66 1HD PHE 66 -3.777 8.828 -2.307 523 HD2 PHE 66 2HD PHE 66 -6.454 12.025 -3.156 524 HE1 PHE 66 1HE PHE 66 -5.437 7.838 -0.790 525 HE2 PHE 66 2HE PHE 66 -8.120 11.040 -1.640 526 HZ PHE 66 HZ PHE 66 -7.615 8.943 -0.456 527 H ILE 67 H ILE 67 -1.371 10.107 -2.608 528 HA ILE 67 HA ILE 67 -2.074 9.524 0.053 529 HB ILE 67 HB ILE 67 0.406 8.897 -1.545 530 1HG1 ILE 67 2HG1 ILE 67 -0.718 6.530 -0.999 531 2HG1 ILE 67 1HG1 ILE 67 -2.159 7.535 -0.895 532 1HG2 ILE 67 1HG2 ILE 67 1.391 8.716 0.497 533 2HG2 ILE 67 2HG2 ILE 67 0.608 7.137 0.441 534 3HG2 ILE 67 3HG2 ILE 67 -0.139 8.460 1.336 535 1HD1 ILE 67 1HD1 ILE 67 -0.657 8.186 -3.253 536 2HD1 ILE 67 2HD1 ILE 67 -2.320 7.620 -3.099 537 3HD1 ILE 67 3HD1 ILE 67 -0.998 6.456 -3.185 538 H LYS 68 H LYS 68 0.616 11.443 -1.287 539 HA LYS 68 HA LYS 68 1.563 12.203 1.316 540 1HB LYS 68 2HB LYS 68 2.220 13.462 -1.353 541 2HB LYS 68 1HB LYS 68 3.148 13.597 0.135 542 1HG LYS 68 2HG LYS 68 2.824 10.835 -0.502 543 2HG LYS 68 1HG LYS 68 3.414 11.693 -1.927 544 1HD LYS 68 2HD LYS 68 5.436 11.413 -0.987 545 2HD LYS 68 1HD LYS 68 4.963 12.776 0.030 546 1HE LYS 68 2HE LYS 68 3.853 10.805 1.443 547 2HE LYS 68 1HE LYS 68 5.150 9.888 0.676 548 1HZ LYS 68 1HZ LYS 68 5.326 12.105 2.594 549 2HZ LYS 68 2HZ LYS 68 6.588 11.879 1.489 550 3HZ LYS 68 3HZ LYS 68 6.173 10.642 2.564 551 H GLU 69 H GLU 69 -0.954 13.252 -0.695 552 HA GLU 69 HA GLU 69 -0.976 16.014 0.011 553 1HB GLU 69 2HB GLU 69 -2.086 14.922 -2.010 554 2HB GLU 69 1HB GLU 69 -3.349 14.411 -0.900 555 1HG GLU 69 2HG GLU 69 -3.714 16.788 -0.303 556 2HG GLU 69 1HG GLU 69 -2.545 17.236 -1.542 557 H ASN 70 H ASN 70 -2.896 13.211 1.031 558 HA ASN 70 HA ASN 70 -3.719 14.724 3.414 559 1HB ASN 70 2HB ASN 70 -5.064 12.223 2.413 560 2HB ASN 70 1HB ASN 70 -5.714 13.467 3.477 561 1HD2 ASN 70 1HD2 ASN 70 -4.544 12.933 0.184 562 2HD2 ASN 70 2HD2 ASN 70 -5.590 14.083 -0.566 563 H SER 71 H SER 71 -1.284 12.893 2.743 564 HA SER 71 HA SER 71 -1.120 11.749 5.372 565 1HB SER 71 2HB SER 71 -1.898 10.089 3.112 566 2HB SER 71 1HB SER 71 -0.407 9.515 3.856 567 HG SER 71 HG SER 71 -2.977 9.504 4.823 568 HA PRO 72 HA PRO 72 2.834 13.135 3.265 569 1HB PRO 72 2HB PRO 72 3.136 14.818 5.643 570 2HB PRO 72 1HB PRO 72 3.203 15.273 3.939 571 1HG PRO 72 2HG PRO 72 1.149 15.980 5.538 572 2HG PRO 72 1HG PRO 72 0.936 15.643 3.810 573 1HD PRO 72 2HD PRO 72 0.332 13.905 6.172 574 2HD PRO 72 1HD PRO 72 -0.600 14.144 4.679 575 H ASP 73 H ASP 73 1.892 12.033 6.363 576 HA ASP 73 HA ASP 73 4.619 11.147 6.984 577 1HB ASP 73 2HB ASP 73 2.886 12.437 8.596 578 2HB ASP 73 1HB ASP 73 2.486 10.767 8.984 579 H SER 74 H SER 74 2.992 9.864 4.981 580 HA SER 74 HA SER 74 2.440 7.273 6.264 581 1HB SER 74 2HB SER 74 0.488 8.213 5.151 582 2HB SER 74 1HB SER 74 1.402 8.406 3.656 583 HG SER 74 HG SER 74 1.029 6.393 3.210 584 H VAL 75 H VAL 75 2.590 5.495 4.384 585 HA VAL 75 HA VAL 75 5.206 5.826 3.072 586 HB VAL 75 HB VAL 75 4.313 3.284 4.438 587 1HG1 VAL 75 1HG1 VAL 75 6.529 4.014 2.631 588 2HG1 VAL 75 2HG1 VAL 75 5.759 2.452 2.911 589 3HG1 VAL 75 3HG1 VAL 75 6.976 3.051 4.039 590 1HG2 VAL 75 1HG2 VAL 75 5.062 5.434 5.802 591 2HG2 VAL 75 2HG2 VAL 75 6.665 4.849 5.361 592 3HG2 VAL 75 3HG2 VAL 75 5.567 3.812 6.271 593 H VAL 76 H VAL 76 5.442 5.002 1.101 594 HA VAL 76 HA VAL 76 3.152 3.552 -0.071 595 HB VAL 76 HB VAL 76 4.817 5.443 -1.701 596 1HG1 VAL 76 1HG1 VAL 76 2.460 3.776 -2.099 597 2HG1 VAL 76 2HG1 VAL 76 3.581 4.457 -3.278 598 3HG1 VAL 76 3HG1 VAL 76 2.249 5.434 -2.661 599 1HG2 VAL 76 1HG2 VAL 76 2.555 6.094 0.138 600 2HG2 VAL 76 2HG2 VAL 76 2.752 6.996 -1.366 601 3HG2 VAL 76 3HG2 VAL 76 4.046 6.986 -0.167 602 H ILE 77 H ILE 77 3.876 1.531 -0.303 603 HA ILE 77 HA ILE 77 6.602 1.039 -1.212 604 HB ILE 77 HB ILE 77 4.454 -0.949 -0.449 605 1HG1 ILE 77 2HG1 ILE 77 5.133 0.524 1.424 606 2HG1 ILE 77 1HG1 ILE 77 5.616 -1.149 1.680 607 1HG2 ILE 77 1HG2 ILE 77 5.856 -2.595 -0.995 608 2HG2 ILE 77 2HG2 ILE 77 7.226 -1.795 -0.223 609 3HG2 ILE 77 3HG2 ILE 77 6.778 -1.378 -1.877 610 1HD1 ILE 77 1HD1 ILE 77 7.726 0.252 0.359 611 2HD1 ILE 77 2HD1 ILE 77 7.721 -0.530 1.941 612 3HD1 ILE 77 3HD1 ILE 77 7.215 1.152 1.788 613 H VAL 78 H VAL 78 3.263 0.431 -2.225 614 HA VAL 78 HA VAL 78 2.357 -0.248 -4.209 615 HB VAL 78 HB VAL 78 4.610 1.401 -5.367 616 1HG1 VAL 78 1HG1 VAL 78 1.851 0.934 -6.483 617 2HG1 VAL 78 2HG1 VAL 78 3.252 -0.037 -6.933 618 3HG1 VAL 78 3HG1 VAL 78 3.230 1.692 -7.278 619 1HG2 VAL 78 1HG2 VAL 78 1.891 2.500 -4.858 620 2HG2 VAL 78 2HG2 VAL 78 3.448 3.324 -4.928 621 3HG2 VAL 78 3HG2 VAL 78 3.017 2.372 -3.507 622 H ILE 79 H ILE 79 2.658 -2.429 -4.324 623 HA ILE 79 HA ILE 79 5.035 -3.359 -5.807 624 HB ILE 79 HB ILE 79 3.418 -5.159 -4.031 625 1HG1 ILE 79 2HG1 ILE 79 5.850 -3.601 -3.147 626 2HG1 ILE 79 1HG1 ILE 79 4.198 -3.189 -2.700 627 1HG2 ILE 79 1HG2 ILE 79 5.907 -6.088 -3.899 628 2HG2 ILE 79 2HG2 ILE 79 6.014 -5.259 -5.451 629 3HG2 ILE 79 3HG2 ILE 79 4.804 -6.518 -5.206 630 1HD1 ILE 79 1HD1 ILE 79 3.985 -4.995 -1.300 631 2HD1 ILE 79 2HD1 ILE 79 5.686 -4.576 -1.088 632 3HD1 ILE 79 3HD1 ILE 79 5.233 -5.923 -2.132 633 H THR 80 H THR 80 4.712 -4.973 -7.400 634 HA THR 80 HA THR 80 2.008 -5.823 -8.003 635 HB THR 80 HB THR 80 1.831 -4.853 -10.151 636 HG1 THR 80 1HG THR 80 4.466 -3.853 -9.887 637 1HG2 THR 80 1HG2 THR 80 1.423 -3.233 -8.321 638 2HG2 THR 80 2HG2 THR 80 1.940 -2.492 -9.836 639 3HG2 THR 80 3HG2 THR 80 3.085 -2.672 -8.507 640 H GLY 81 H GLY 81 5.259 -5.620 -9.494 641 1HA GLY 81 2HA GLY 81 5.991 -8.244 -9.304 642 2HA GLY 81 1HA GLY 81 4.955 -8.203 -10.722 643 H HIS 82 H HIS 82 7.064 -9.005 -11.641 644 HA HIS 82 HA HIS 82 9.153 -7.056 -12.000 645 1HB HIS 82 2HB HIS 82 10.144 -8.797 -13.498 646 2HB HIS 82 1HB HIS 82 9.802 -9.366 -11.868 647 HD1 HIS 82 1HD HIS 82 7.882 -9.309 -15.166 648 HD2 HIS 82 2HD HIS 82 8.670 -11.808 -11.940 649 HE1 HIS 82 1HE HIS 82 6.687 -11.462 -15.674 650 HE2 HIS 82 2HE HIS 82 7.258 -12.990 -13.756 651 H GLY 83 H GLY 83 6.277 -7.987 -13.676 652 1HA GLY 83 2HA GLY 83 7.095 -6.945 -16.237 653 2HA GLY 83 1HA GLY 83 5.480 -7.472 -15.791 654 H SER 84 H SER 84 7.699 -4.906 -14.682 655 HA SER 84 HA SER 84 6.335 -2.735 -15.713 656 1HB SER 84 2HB SER 84 4.752 -3.907 -13.761 657 2HB SER 84 1HB SER 84 5.548 -2.593 -12.897 658 HG SER 84 HG SER 84 3.521 -2.074 -14.023 659 H VAL 85 H VAL 85 8.900 -3.066 -15.574 660 HA VAL 85 HA VAL 85 10.175 -2.157 -13.200 661 HB VAL 85 HB VAL 85 12.186 -1.896 -14.615 662 1HG1 VAL 85 1HG1 VAL 85 10.626 -4.455 -14.936 663 2HG1 VAL 85 2HG1 VAL 85 11.771 -4.050 -13.656 664 3HG1 VAL 85 3HG1 VAL 85 12.341 -4.286 -15.308 665 1HG2 VAL 85 1HG2 VAL 85 11.742 -1.274 -16.732 666 2HG2 VAL 85 2HG2 VAL 85 10.167 -2.070 -16.747 667 3HG2 VAL 85 3HG2 VAL 85 11.634 -3.010 -17.020 668 H ASP 86 H ASP 86 8.711 -0.546 -15.901 669 HA ASP 86 HA ASP 86 10.018 1.982 -15.311 670 1HB ASP 86 2HB ASP 86 7.806 1.435 -17.302 671 2HB ASP 86 1HB ASP 86 8.857 2.847 -17.244 672 H THR 87 H THR 87 7.219 0.308 -14.305 673 HA THR 87 HA THR 87 5.707 2.708 -13.689 674 HB THR 87 HB THR 87 4.801 0.269 -14.232 675 HG1 THR 87 1HG THR 87 2.902 0.855 -13.120 676 1HG2 THR 87 1HG2 THR 87 5.963 -0.631 -12.110 677 2HG2 THR 87 2HG2 THR 87 4.301 -1.116 -12.445 678 3HG2 THR 87 3HG2 THR 87 4.630 0.138 -11.251 679 H ALA 88 H ALA 88 7.805 0.408 -12.134 680 HA ALA 88 HA ALA 88 7.393 1.114 -9.455 681 1HB ALA 88 1HB ALA 88 9.971 0.205 -10.733 682 2HB ALA 88 2HB ALA 88 8.668 -0.871 -10.231 683 3HB ALA 88 3HB ALA 88 9.536 0.085 -9.031 684 H VAL 89 H VAL 89 10.031 2.103 -11.617 685 HA VAL 89 HA VAL 89 11.060 4.113 -9.981 686 HB VAL 89 HB VAL 89 12.270 4.898 -11.904 687 1HG1 VAL 89 1HG1 VAL 89 12.466 2.402 -10.950 688 2HG1 VAL 89 2HG1 VAL 89 13.517 3.036 -12.217 689 3HG1 VAL 89 3HG1 VAL 89 12.123 2.043 -12.643 690 1HG2 VAL 89 1HG2 VAL 89 11.755 4.069 -14.186 691 2HG2 VAL 89 2HG2 VAL 89 10.486 5.093 -13.513 692 3HG2 VAL 89 3HG2 VAL 89 10.278 3.342 -13.550 693 H LYS 90 H LYS 90 8.353 4.096 -12.182 694 HA LYS 90 HA LYS 90 8.086 6.957 -12.284 695 1HB LYS 90 2HB LYS 90 7.318 5.457 -14.105 696 2HB LYS 90 1HB LYS 90 6.086 4.820 -13.025 697 1HG LYS 90 2HG LYS 90 4.916 6.858 -12.986 698 2HG LYS 90 1HG LYS 90 6.270 7.737 -13.700 699 1HD LYS 90 2HD LYS 90 4.644 5.599 -15.077 700 2HD LYS 90 1HD LYS 90 4.469 7.337 -15.325 701 1HE LYS 90 2HE LYS 90 5.953 7.112 -16.974 702 2HE LYS 90 1HE LYS 90 7.164 6.909 -15.709 703 1HZ LYS 90 1HZ LYS 90 7.026 5.142 -17.516 704 2HZ LYS 90 2HZ LYS 90 5.622 4.610 -16.737 705 3HZ LYS 90 3HZ LYS 90 7.100 4.607 -15.913 706 H ALA 91 H ALA 91 7.556 4.770 -9.861 707 HA ALA 91 HA ALA 91 5.389 6.397 -8.707 708 1HB ALA 91 1HB ALA 91 4.316 4.565 -7.958 709 2HB ALA 91 2HB ALA 91 5.813 3.703 -7.604 710 3HB ALA 91 3HB ALA 91 5.201 3.765 -9.257 711 H ILE 92 H ILE 92 8.386 4.633 -8.038 712 HA ILE 92 HA ILE 92 8.507 5.452 -5.304 713 HB ILE 92 HB ILE 92 10.615 4.396 -5.175 714 1HG1 ILE 92 2HG1 ILE 92 10.694 4.591 -8.190 715 2HG1 ILE 92 1HG1 ILE 92 11.775 5.375 -7.045 716 1HG2 ILE 92 1HG2 ILE 92 10.200 2.203 -6.239 717 2HG2 ILE 92 2HG2 ILE 92 8.886 2.932 -7.158 718 3HG2 ILE 92 3HG2 ILE 92 8.788 2.847 -5.402 719 1HD1 ILE 92 1HD1 ILE 92 13.033 3.611 -7.849 720 2HD1 ILE 92 2HD1 ILE 92 11.659 2.505 -7.866 721 3HD1 ILE 92 3HD1 ILE 92 12.392 2.978 -6.333 722 H LYS 93 H LYS 93 10.159 6.518 -8.267 723 HA LYS 93 HA LYS 93 11.790 8.457 -7.064 724 1HB LYS 93 2HB LYS 93 11.431 7.513 -9.621 725 2HB LYS 93 1HB LYS 93 10.820 9.157 -9.744 726 1HG LYS 93 2HG LYS 93 13.557 8.311 -8.819 727 2HG LYS 93 1HG LYS 93 13.147 9.120 -10.333 728 1HD LYS 93 2HD LYS 93 12.584 10.325 -7.633 729 2HD LYS 93 1HD LYS 93 14.098 10.586 -8.500 730 1HE LYS 93 2HE LYS 93 11.324 11.314 -9.430 731 2HE LYS 93 1HE LYS 93 12.602 12.424 -8.938 732 1HZ LYS 93 1HZ LYS 93 13.876 11.174 -10.852 733 2HZ LYS 93 2HZ LYS 93 12.867 12.492 -11.178 734 3HZ LYS 93 3HZ LYS 93 12.304 10.917 -11.424 735 H LYS 94 H LYS 94 8.420 8.456 -7.881 736 HA LYS 94 HA LYS 94 8.003 11.254 -7.888 737 1HB LYS 94 2HB LYS 94 6.425 8.895 -8.151 738 2HB LYS 94 1HB LYS 94 5.654 9.971 -6.994 739 1HG LYS 94 2HG LYS 94 4.832 10.355 -9.249 740 2HG LYS 94 1HG LYS 94 5.682 11.771 -8.629 741 1HD LYS 94 2HD LYS 94 7.740 10.661 -9.827 742 2HD LYS 94 1HD LYS 94 6.484 9.855 -10.769 743 1HE LYS 94 2HE LYS 94 6.686 12.840 -10.392 744 2HE LYS 94 1HE LYS 94 7.318 11.968 -11.788 745 1HZ LYS 94 1HZ LYS 94 4.569 12.606 -11.087 746 2HZ LYS 94 2HZ LYS 94 4.823 11.080 -11.768 747 3HZ LYS 94 3HZ LYS 94 5.295 12.469 -12.609 748 H GLY 95 H GLY 95 7.088 8.860 -5.397 749 1HA GLY 95 2HA GLY 95 8.150 10.441 -3.275 750 2HA GLY 95 1HA GLY 95 6.412 10.646 -3.399 751 H ALA 96 H ALA 96 7.661 7.545 -4.295 752 HA ALA 96 HA ALA 96 6.376 6.403 -1.950 753 1HB ALA 96 1HB ALA 96 5.927 4.616 -3.218 754 2HB ALA 96 2HB ALA 96 7.585 4.512 -3.813 755 3HB ALA 96 3HB ALA 96 6.440 5.613 -4.578 756 H TYR 97 H TYR 97 7.727 4.069 -1.563 757 HA TYR 97 HA TYR 97 10.260 5.041 -0.461 758 1HB TYR 97 2HB TYR 97 8.813 4.229 1.254 759 2HB TYR 97 1HB TYR 97 8.451 2.767 0.347 760 HD1 TYR 97 1HD TYR 97 11.333 4.553 1.914 761 HD2 TYR 97 2HD TYR 97 9.583 0.818 0.875 762 HE1 TYR 97 1HE TYR 97 13.138 3.382 3.105 763 HE2 TYR 97 2HE TYR 97 11.380 -0.364 2.065 764 HH TYR 97 HH TYR 97 13.104 0.610 4.230 765 H GLU 98 H GLU 98 8.961 2.941 -2.785 766 HA GLU 98 HA GLU 98 11.004 2.363 -4.350 767 1HB GLU 98 2HB GLU 98 12.056 0.239 -3.556 768 2HB GLU 98 1HB GLU 98 12.452 1.626 -2.558 769 1HG GLU 98 2HG GLU 98 10.459 0.820 -1.103 770 2HG GLU 98 1HG GLU 98 10.704 -0.709 -1.943 771 H PHE 99 H PHE 99 10.968 -0.403 -4.819 772 HA PHE 99 HA PHE 99 8.112 -1.045 -5.047 773 1HB PHE 99 2HB PHE 99 9.745 -0.222 -7.174 774 2HB PHE 99 1HB PHE 99 9.581 -1.964 -7.360 775 HD1 PHE 99 1HD PHE 99 7.885 -2.657 -8.723 776 HD2 PHE 99 2HD PHE 99 7.381 0.930 -6.489 777 HE1 PHE 99 1HE PHE 99 5.673 -2.335 -9.750 778 HE2 PHE 99 2HE PHE 99 5.167 1.257 -7.512 779 HZ PHE 99 HZ PHE 99 4.308 -0.377 -9.140 780 H LEU 100 H LEU 100 8.104 -2.704 -3.598 781 HA LEU 100 HA LEU 100 10.147 -4.615 -3.303 782 1HB LEU 100 2HB LEU 100 8.196 -3.981 -1.733 783 2HB LEU 100 1HB LEU 100 7.260 -5.131 -2.666 784 HG LEU 100 HG LEU 100 8.602 -6.955 -1.955 785 1HD1 LEU 100 1HD1 LEU 100 10.809 -6.425 -1.944 786 2HD1 LEU 100 2HD1 LEU 100 10.497 -6.263 -0.216 787 3HD1 LEU 100 3HD1 LEU 100 10.538 -4.830 -1.243 788 1HD2 LEU 100 1HD2 LEU 100 8.366 -6.847 0.472 789 2HD2 LEU 100 2HD2 LEU 100 6.952 -6.179 -0.342 790 3HD2 LEU 100 3HD2 LEU 100 8.148 -5.100 0.375 791 H GLU 101 H GLU 101 9.697 -7.028 -3.595 792 HA GLU 101 HA GLU 101 8.939 -7.442 -6.383 793 1HB GLU 101 2HB GLU 101 10.546 -9.015 -4.395 794 2HB GLU 101 1HB GLU 101 9.924 -9.787 -5.848 795 1HG GLU 101 2HG GLU 101 11.417 -8.779 -7.180 796 2HG GLU 101 1HG GLU 101 11.321 -7.251 -6.306 797 H LYS 102 H LYS 102 6.938 -8.046 -6.816 798 HA LYS 102 HA LYS 102 5.104 -8.982 -4.893 799 1HB LYS 102 2HB LYS 102 4.425 -7.787 -6.925 800 2HB LYS 102 1HB LYS 102 4.953 -9.146 -7.906 801 1HG LYS 102 2HG LYS 102 3.054 -9.884 -5.817 802 2HG LYS 102 1HG LYS 102 2.413 -8.733 -6.989 803 1HD LYS 102 2HD LYS 102 3.261 -10.276 -8.795 804 2HD LYS 102 1HD LYS 102 3.584 -11.457 -7.524 805 1HE LYS 102 2HE LYS 102 1.028 -10.779 -6.950 806 2HE LYS 102 1HE LYS 102 1.031 -10.585 -8.702 807 1HZ LYS 102 1HZ LYS 102 1.631 -12.818 -9.007 808 2HZ LYS 102 2HZ LYS 102 0.426 -12.853 -7.820 809 3HZ LYS 102 3HZ LYS 102 2.051 -13.031 -7.383 810 HA PRO 103 HA PRO 103 5.721 -13.327 -6.935 811 1HB PRO 103 2HB PRO 103 8.073 -13.765 -8.223 812 2HB PRO 103 1HB PRO 103 6.613 -13.197 -9.041 813 1HG PRO 103 2HG PRO 103 8.982 -11.638 -8.090 814 2HG PRO 103 1HG PRO 103 8.082 -11.491 -9.611 815 1HD PRO 103 2HD PRO 103 7.713 -9.804 -7.532 816 2HD PRO 103 1HD PRO 103 6.404 -10.245 -8.643 817 H PHE 104 H PHE 104 7.877 -11.501 -5.120 818 HA PHE 104 HA PHE 104 9.508 -13.695 -4.192 819 1HB PHE 104 2HB PHE 104 9.970 -11.045 -4.306 820 2HB PHE 104 1HB PHE 104 9.400 -11.165 -2.644 821 HD1 PHE 104 1HD PHE 104 11.643 -13.152 -4.875 822 HD2 PHE 104 2HD PHE 104 11.070 -11.289 -1.092 823 HE1 PHE 104 1HE PHE 104 13.874 -13.910 -4.169 824 HE2 PHE 104 2HE PHE 104 13.300 -12.043 -0.379 825 HZ PHE 104 HZ PHE 104 14.705 -13.356 -1.918 826 H SER 105 H SER 105 9.695 -13.440 -1.527 827 HA SER 105 HA SER 105 7.176 -14.558 -0.637 828 1HB SER 105 2HB SER 105 9.211 -15.706 0.018 829 2HB SER 105 1HB SER 105 9.841 -14.236 0.763 830 HG SER 105 HG SER 105 8.282 -16.103 1.846 831 H VAL 106 H VAL 106 5.668 -13.518 0.488 832 HA VAL 106 HA VAL 106 5.757 -10.755 0.950 833 HB VAL 106 HB VAL 106 3.658 -12.026 0.712 834 1HG1 VAL 106 1HG1 VAL 106 4.222 -13.014 3.505 835 2HG1 VAL 106 2HG1 VAL 106 4.306 -13.989 2.037 836 3HG1 VAL 106 3HG1 VAL 106 2.763 -13.316 2.562 837 1HG2 VAL 106 1HG2 VAL 106 3.291 -10.860 3.386 838 2HG2 VAL 106 2HG2 VAL 106 2.496 -10.477 1.859 839 3HG2 VAL 106 3HG2 VAL 106 4.091 -9.813 2.214 840 H GLU 107 H GLU 107 7.027 -13.355 2.800 841 HA GLU 107 HA GLU 107 6.883 -12.316 5.389 842 1HB GLU 107 2HB GLU 107 7.704 -14.626 4.514 843 2HB GLU 107 1HB GLU 107 9.275 -13.839 4.440 844 1HG GLU 107 2HG GLU 107 8.496 -13.160 6.931 845 2HG GLU 107 1HG GLU 107 7.705 -14.726 6.754 846 H ARG 108 H ARG 108 9.252 -11.832 2.811 847 HA ARG 108 HA ARG 108 11.071 -10.273 4.301 848 1HB ARG 108 2HB ARG 108 11.679 -11.293 2.162 849 2HB ARG 108 1HB ARG 108 10.508 -10.279 1.328 850 1HG ARG 108 2HG ARG 108 11.896 -8.531 1.256 851 2HG ARG 108 1HG ARG 108 12.439 -8.771 2.918 852 1HD ARG 108 2HD ARG 108 14.317 -9.731 2.218 853 2HD ARG 108 1HD ARG 108 13.414 -10.897 1.255 854 HE ARG 108 HE ARG 108 13.355 -8.676 -0.277 855 1HH1 ARG 108 1HH1 ARG 108 15.948 -10.405 1.294 856 2HH1 ARG 108 2HH1 ARG 108 17.127 -9.967 0.104 857 1HH2 ARG 108 1HH2 ARG 108 14.905 -8.100 -1.842 858 2HH2 ARG 108 2HH2 ARG 108 16.536 -8.659 -1.677 859 H PHE 109 H PHE 109 8.146 -9.509 2.531 860 HA PHE 109 HA PHE 109 8.397 -6.716 2.446 861 1HB PHE 109 2HB PHE 109 6.702 -7.739 1.107 862 2HB PHE 109 1HB PHE 109 5.982 -8.531 2.502 863 HD1 PHE 109 1HD PHE 109 7.016 -4.990 2.007 864 HD2 PHE 109 2HD PHE 109 3.826 -7.728 2.666 865 HE1 PHE 109 1HE PHE 109 5.461 -3.104 2.279 866 HE2 PHE 109 2HE PHE 109 2.263 -5.847 2.937 867 HZ PHE 109 HZ PHE 109 3.081 -3.534 2.746 868 H LEU 110 H LEU 110 7.149 -8.898 4.912 869 HA LEU 110 HA LEU 110 6.007 -7.066 6.654 870 1HB LEU 110 2HB LEU 110 6.709 -9.792 6.686 871 2HB LEU 110 1HB LEU 110 7.334 -9.074 8.160 872 HG LEU 110 HG LEU 110 4.468 -8.980 7.225 873 1HD1 LEU 110 1HD1 LEU 110 5.672 -10.394 9.590 874 2HD1 LEU 110 2HD1 LEU 110 5.292 -11.174 8.055 875 3HD1 LEU 110 3HD1 LEU 110 4.001 -10.468 9.028 876 1HD2 LEU 110 1HD2 LEU 110 5.513 -7.006 8.588 877 2HD2 LEU 110 2HD2 LEU 110 5.387 -8.137 9.935 878 3HD2 LEU 110 3HD2 LEU 110 3.942 -7.667 9.039 879 H LEU 111 H LEU 111 9.371 -7.989 6.235 880 HA LEU 111 HA LEU 111 10.435 -6.792 8.530 881 1HB LEU 111 2HB LEU 111 11.593 -7.388 5.829 882 2HB LEU 111 1HB LEU 111 12.544 -6.627 7.089 883 HG LEU 111 HG LEU 111 11.204 -9.032 8.034 884 1HD1 LEU 111 1HD1 LEU 111 12.526 -9.128 5.441 885 2HD1 LEU 111 2HD1 LEU 111 11.505 -10.323 6.242 886 3HD1 LEU 111 3HD1 LEU 111 13.225 -10.239 6.619 887 1HD2 LEU 111 1HD2 LEU 111 12.933 -8.033 9.324 888 2HD2 LEU 111 2HD2 LEU 111 14.042 -8.031 7.952 889 3HD2 LEU 111 3HD2 LEU 111 13.567 -9.557 8.700 890 H THR 112 H THR 112 9.842 -5.461 5.298 891 HA THR 112 HA THR 112 10.988 -2.919 5.867 892 HB THR 112 HB THR 112 9.008 -3.731 3.728 893 HG1 THR 112 1HG THR 112 11.033 -4.829 3.664 894 1HG2 THR 112 1HG2 THR 112 9.926 -1.813 2.467 895 2HG2 THR 112 2HG2 THR 112 10.753 -1.292 3.936 896 3HG2 THR 112 3HG2 THR 112 8.991 -1.346 3.888 897 H ILE 113 H ILE 113 7.651 -4.131 5.766 898 HA ILE 113 HA ILE 113 6.179 -1.891 6.174 899 HB ILE 113 HB ILE 113 5.865 -4.687 7.179 900 1HG1 ILE 113 2HG1 ILE 113 5.334 -4.080 4.841 901 2HG1 ILE 113 1HG1 ILE 113 3.924 -4.664 5.717 902 1HG2 ILE 113 1HG2 ILE 113 4.142 -2.362 8.002 903 2HG2 ILE 113 2HG2 ILE 113 4.962 -3.531 9.038 904 3HG2 ILE 113 3HG2 ILE 113 3.592 -4.038 8.051 905 1HD1 ILE 113 1HD1 ILE 113 3.530 -2.113 6.152 906 2HD1 ILE 113 2HD1 ILE 113 3.047 -2.861 4.629 907 3HD1 ILE 113 3HD1 ILE 113 4.545 -1.935 4.720 908 H LYS 114 H LYS 114 7.488 -3.851 8.858 909 HA LYS 114 HA LYS 114 6.754 -2.282 10.976 910 1HB LYS 114 2HB LYS 114 7.934 -4.480 11.107 911 2HB LYS 114 1HB LYS 114 9.431 -3.653 10.708 912 1HG LYS 114 2HG LYS 114 7.851 -2.676 13.028 913 2HG LYS 114 1HG LYS 114 8.762 -4.176 13.198 914 1HD LYS 114 2HD LYS 114 9.878 -1.493 12.379 915 2HD LYS 114 1HD LYS 114 10.086 -2.275 13.946 916 1HE LYS 114 2HE LYS 114 11.218 -3.069 11.282 917 2HE LYS 114 1HE LYS 114 12.074 -2.716 12.782 918 1HZ LYS 114 1HZ LYS 114 12.143 -4.964 12.844 919 2HZ LYS 114 2HZ LYS 114 10.726 -5.164 11.942 920 3HZ LYS 114 3HZ LYS 114 10.635 -4.766 13.584 921 H HIS 115 H HIS 115 9.809 -2.045 9.166 922 HA HIS 115 HA HIS 115 10.783 0.238 10.444 923 1HB HIS 115 2HB HIS 115 11.410 -1.281 8.035 924 2HB HIS 115 1HB HIS 115 11.801 0.430 7.906 925 HD1 HIS 115 1HD HIS 115 12.111 -1.135 11.252 926 HD2 HIS 115 2HD HIS 115 14.552 -0.258 8.006 927 HE1 HIS 115 1HE HIS 115 14.466 -1.400 12.092 928 HE2 HIS 115 2HE HIS 115 15.926 -0.771 10.137 929 H ALA 116 H ALA 116 8.409 -0.135 7.926 930 HA ALA 116 HA ALA 116 8.471 2.509 6.920 931 1HB ALA 116 1HB ALA 116 5.958 0.895 6.949 932 2HB ALA 116 2HB ALA 116 7.332 0.362 5.981 933 3HB ALA 116 3HB ALA 116 6.605 1.941 5.687 934 H PHE 117 H PHE 117 6.816 1.000 9.620 935 HA PHE 117 HA PHE 117 5.099 3.210 10.168 936 1HB PHE 117 2HB PHE 117 5.815 0.661 11.554 937 2HB PHE 117 1HB PHE 117 4.981 1.920 12.461 938 HD1 PHE 117 1HD PHE 117 2.789 2.782 11.571 939 HD2 PHE 117 2HD PHE 117 4.640 -0.758 10.105 940 HE1 PHE 117 1HE PHE 117 0.636 2.048 10.645 941 HE2 PHE 117 2HE PHE 117 2.485 -1.497 9.170 942 HZ PHE 117 HZ PHE 117 0.479 -0.091 9.442 943 H GLU 118 H GLU 118 8.406 2.664 10.736 944 HA GLU 118 HA GLU 118 8.810 3.889 13.210 945 1HB GLU 118 2HB GLU 118 10.534 3.625 10.772 946 2HB GLU 118 1HB GLU 118 11.094 4.495 12.192 947 1HG GLU 118 2HG GLU 118 10.404 2.316 13.445 948 2HG GLU 118 1HG GLU 118 10.546 1.590 11.845 949 H GLU 119 H GLU 119 7.878 5.258 10.198 950 HA GLU 119 HA GLU 119 8.666 7.949 11.013 951 1HB GLU 119 2HB GLU 119 7.366 6.984 8.461 952 2HB GLU 119 1HB GLU 119 7.920 8.624 8.769 953 1HG GLU 119 2HG GLU 119 10.082 6.872 9.286 954 2HG GLU 119 1HG GLU 119 9.372 6.417 7.737 955 H TYR 120 H TYR 120 6.745 6.786 12.652 956 HA TYR 120 HA TYR 120 4.634 8.725 12.424 957 1HB TYR 120 2HB TYR 120 3.998 6.644 10.995 958 2HB TYR 120 1HB TYR 120 3.713 5.871 12.551 959 HD1 TYR 120 1HD TYR 120 1.802 6.434 13.883 960 HD2 TYR 120 2HD TYR 120 2.618 8.569 10.295 961 HE1 TYR 120 1HE TYR 120 -0.446 7.427 13.969 962 HE2 TYR 120 2HE TYR 120 0.374 9.570 10.373 963 HH TYR 120 HH TYR 120 -2.064 8.453 12.500 964 H SER 121 H SER 121 6.768 7.932 14.284 965 HA SER 121 HA SER 121 5.188 7.099 16.618 966 1HB SER 121 2HB SER 121 7.518 6.835 17.668 967 2HB SER 121 1HB SER 121 7.064 5.677 16.417 968 HG SER 121 HG SER 121 8.911 6.297 15.596 Start of MODEL 23 1 1H MET 1 1HT MET 1 0.142 1.932 17.403 2 2H MET 1 2HT MET 1 -0.328 0.310 17.099 3 3H MET 1 3HT MET 1 -1.195 1.257 18.237 4 HA MET 1 HA MET 1 -2.500 1.201 16.355 5 1HB MET 1 2HB MET 1 -0.924 3.681 16.873 6 2HB MET 1 1HB MET 1 -2.008 3.672 15.488 7 1HG MET 1 2HG MET 1 -3.878 3.107 16.950 8 2HG MET 1 1HG MET 1 -2.792 3.105 18.338 9 1HE MET 1 1HE MET 1 -4.703 6.300 19.182 10 2HE MET 1 2HE MET 1 -4.427 4.589 19.513 11 3HE MET 1 3HE MET 1 -5.526 5.071 18.221 12 H LYS 2 H LYS 2 -2.040 -0.212 14.717 13 HA LYS 2 HA LYS 2 -0.466 0.877 12.498 14 1HB LYS 2 2HB LYS 2 -0.256 -2.014 13.330 15 2HB LYS 2 1HB LYS 2 0.705 -1.169 12.125 16 1HG LYS 2 2HG LYS 2 0.760 -0.334 14.999 17 2HG LYS 2 1HG LYS 2 1.758 -1.665 14.409 18 1HD LYS 2 2HD LYS 2 2.789 -0.184 12.771 19 2HD LYS 2 1HD LYS 2 1.765 1.146 13.314 20 1HE LYS 2 2HE LYS 2 3.155 1.624 14.982 21 2HE LYS 2 1HE LYS 2 3.148 -0.048 15.541 22 1HZ LYS 2 1HZ LYS 2 5.075 -0.492 14.506 23 2HZ LYS 2 2HZ LYS 2 5.302 1.184 14.571 24 3HZ LYS 2 3HZ LYS 2 4.717 0.465 13.157 25 H ARG 3 H ARG 3 -1.669 0.911 10.726 26 HA ARG 3 HA ARG 3 -3.439 -1.317 10.115 27 1HB ARG 3 2HB ARG 3 -4.535 1.482 9.963 28 2HB ARG 3 1HB ARG 3 -5.409 -0.039 9.864 29 1HG ARG 3 2HG ARG 3 -5.934 0.769 11.975 30 2HG ARG 3 1HG ARG 3 -4.657 -0.408 12.285 31 1HD ARG 3 2HD ARG 3 -3.454 1.165 13.287 32 2HD ARG 3 1HD ARG 3 -3.419 2.094 11.790 33 HE ARG 3 HE ARG 3 -5.148 2.523 14.081 34 1HH1 ARG 3 1HH1 ARG 3 -4.466 3.288 10.741 35 2HH1 ARG 3 2HH1 ARG 3 -5.375 4.760 10.766 36 1HH2 ARG 3 1HH2 ARG 3 -6.343 4.458 14.109 37 2HH2 ARG 3 2HH2 ARG 3 -6.440 5.425 12.674 38 H VAL 4 H VAL 4 -1.864 -1.669 8.461 39 HA VAL 4 HA VAL 4 -1.221 0.296 6.515 40 HB VAL 4 HB VAL 4 -1.062 -2.704 6.187 41 1HG1 VAL 4 1HG1 VAL 4 0.063 -0.366 4.721 42 2HG1 VAL 4 2HG1 VAL 4 -0.615 -1.869 4.095 43 3HG1 VAL 4 3HG1 VAL 4 1.000 -1.857 4.804 44 1HG2 VAL 4 1HG2 VAL 4 0.975 -0.813 7.366 45 2HG2 VAL 4 2HG2 VAL 4 1.240 -2.522 7.021 46 3HG2 VAL 4 3HG2 VAL 4 0.067 -2.042 8.247 47 H LEU 5 H LEU 5 -1.774 0.156 4.197 48 HA LEU 5 HA LEU 5 -4.532 -0.801 3.802 49 1HB LEU 5 2HB LEU 5 -4.478 1.617 3.839 50 2HB LEU 5 1HB LEU 5 -3.181 1.642 2.659 51 HG LEU 5 HG LEU 5 -4.759 0.590 1.014 52 1HD1 LEU 5 1HD1 LEU 5 -7.199 1.421 2.197 53 2HD1 LEU 5 2HD1 LEU 5 -6.380 0.349 3.332 54 3HD1 LEU 5 3HD1 LEU 5 -6.715 -0.196 1.691 55 1HD2 LEU 5 1HD2 LEU 5 -6.276 2.855 1.170 56 2HD2 LEU 5 2HD2 LEU 5 -4.680 2.749 0.427 57 3HD2 LEU 5 3HD2 LEU 5 -4.842 3.308 2.091 58 H VAL 6 H VAL 6 -4.958 -2.025 2.058 59 HA VAL 6 HA VAL 6 -2.733 -2.520 0.185 60 HB VAL 6 HB VAL 6 -4.886 -4.511 0.890 61 1HG1 VAL 6 1HG1 VAL 6 -3.932 -5.091 -1.175 62 2HG1 VAL 6 2HG1 VAL 6 -3.090 -6.093 0.006 63 3HG1 VAL 6 3HG1 VAL 6 -2.308 -4.654 -0.646 64 1HG2 VAL 6 1HG2 VAL 6 -3.664 -5.371 2.602 65 2HG2 VAL 6 2HG2 VAL 6 -3.157 -3.689 2.741 66 3HG2 VAL 6 3HG2 VAL 6 -2.125 -4.854 1.913 67 H VAL 7 H VAL 7 -3.149 -2.523 -1.971 68 HA VAL 7 HA VAL 7 -5.933 -2.046 -2.809 69 HB VAL 7 HB VAL 7 -3.509 -0.765 -4.076 70 1HG1 VAL 7 1HG1 VAL 7 -6.469 -0.373 -4.475 71 2HG1 VAL 7 2HG1 VAL 7 -5.315 -1.034 -5.633 72 3HG1 VAL 7 3HG1 VAL 7 -5.222 0.664 -5.166 73 1HG2 VAL 7 1HG2 VAL 7 -5.199 0.079 -1.811 74 2HG2 VAL 7 2HG2 VAL 7 -4.865 1.308 -3.031 75 3HG2 VAL 7 3HG2 VAL 7 -3.532 0.501 -2.205 76 H ASP 8 H ASP 8 -6.628 -3.602 -4.111 77 HA ASP 8 HA ASP 8 -5.151 -4.506 -6.360 78 1HB ASP 8 2HB ASP 8 -3.925 -5.741 -4.618 79 2HB ASP 8 1HB ASP 8 -5.432 -6.454 -4.058 80 H ASP 9 H ASP 9 -6.331 -6.162 -7.594 81 HA ASP 9 HA ASP 9 -9.195 -5.794 -7.252 82 1HB ASP 9 2HB ASP 9 -8.269 -5.472 -9.479 83 2HB ASP 9 1HB ASP 9 -7.609 -7.104 -9.473 84 H GLU 10 H GLU 10 -8.364 -7.246 -5.192 85 HA GLU 10 HA GLU 10 -9.338 -9.952 -5.811 86 1HB GLU 10 2HB GLU 10 -6.764 -9.277 -4.878 87 2HB GLU 10 1HB GLU 10 -7.616 -9.963 -3.501 88 1HG GLU 10 2HG GLU 10 -8.271 -11.832 -5.190 89 2HG GLU 10 1HG GLU 10 -6.888 -11.227 -6.101 90 H GLU 11 H GLU 11 -11.052 -10.546 -4.650 91 HA GLU 11 HA GLU 11 -12.081 -8.781 -2.620 92 1HB GLU 11 2HB GLU 11 -13.075 -11.233 -4.015 93 2HB GLU 11 1HB GLU 11 -13.850 -10.728 -2.519 94 1HG GLU 11 2HG GLU 11 -13.465 -8.623 -4.541 95 2HG GLU 11 1HG GLU 11 -14.605 -9.901 -4.958 96 H SER 12 H SER 12 -12.521 -9.313 -0.461 97 HA SER 12 HA SER 12 -12.069 -10.169 1.594 98 1HB SER 12 2HB SER 12 -11.328 -12.840 0.507 99 2HB SER 12 1HB SER 12 -12.388 -12.425 1.853 100 HG SER 12 HG SER 12 -14.004 -12.547 0.533 101 H ILE 13 H ILE 13 -10.087 -8.727 1.192 102 HA ILE 13 HA ILE 13 -7.881 -8.294 1.454 103 HB ILE 13 HB ILE 13 -7.917 -10.978 2.767 104 1HG1 ILE 13 2HG1 ILE 13 -9.668 -9.439 3.617 105 2HG1 ILE 13 1HG1 ILE 13 -8.474 -9.875 4.835 106 1HG2 ILE 13 1HG2 ILE 13 -5.663 -10.395 2.573 107 2HG2 ILE 13 2HG2 ILE 13 -6.102 -9.893 4.205 108 3HG2 ILE 13 3HG2 ILE 13 -5.988 -8.696 2.915 109 1HD1 ILE 13 1HD1 ILE 13 -7.314 -7.697 4.261 110 2HD1 ILE 13 2HD1 ILE 13 -8.857 -7.582 5.106 111 3HD1 ILE 13 3HD1 ILE 13 -8.778 -7.277 3.371 112 H THR 14 H THR 14 -5.636 -9.121 1.033 113 HA THR 14 HA THR 14 -5.624 -10.576 -1.484 114 HB THR 14 HB THR 14 -3.237 -9.846 -1.589 115 HG1 THR 14 1HG THR 14 -3.841 -8.342 0.730 116 1HG2 THR 14 1HG2 THR 14 -3.632 -7.646 -2.180 117 2HG2 THR 14 2HG2 THR 14 -4.865 -7.429 -0.939 118 3HG2 THR 14 3HG2 THR 14 -5.215 -8.400 -2.369 119 H SER 15 H SER 15 -4.425 -12.451 -1.845 120 HA SER 15 HA SER 15 -4.417 -14.359 0.168 121 1HB SER 15 2HB SER 15 -3.247 -14.174 -2.556 122 2HB SER 15 1HB SER 15 -2.626 -15.445 -1.503 123 HG SER 15 HG SER 15 -4.340 -16.399 -2.382 124 H SER 16 H SER 16 -3.033 -15.013 1.689 125 HA SER 16 HA SER 16 -1.098 -15.310 2.874 126 1HB SER 16 2HB SER 16 0.445 -13.403 1.159 127 2HB SER 16 1HB SER 16 0.993 -14.862 1.985 128 HG SER 16 HG SER 16 0.767 -15.060 -0.337 129 H LEU 17 H LEU 17 -1.684 -11.983 1.760 130 HA LEU 17 HA LEU 17 -0.414 -10.590 3.764 131 1HB LEU 17 2HB LEU 17 -2.223 -10.032 1.695 132 2HB LEU 17 1HB LEU 17 -2.963 -9.376 3.136 133 HG LEU 17 HG LEU 17 -0.824 -8.306 1.521 134 1HD1 LEU 17 1HD1 LEU 17 -2.432 -6.800 1.931 135 2HD1 LEU 17 2HD1 LEU 17 -1.361 -6.391 3.271 136 3HD1 LEU 17 3HD1 LEU 17 -2.771 -7.414 3.547 137 1HD2 LEU 17 1HD2 LEU 17 0.528 -7.444 3.473 138 2HD2 LEU 17 2HD2 LEU 17 0.786 -9.132 3.042 139 3HD2 LEU 17 3HD2 LEU 17 -0.205 -8.723 4.438 140 H SER 18 H SER 18 -3.826 -11.627 3.752 141 HA SER 18 HA SER 18 -4.655 -10.693 6.178 142 1HB SER 18 2HB SER 18 -6.168 -11.834 4.659 143 2HB SER 18 1HB SER 18 -5.327 -13.362 4.919 144 HG SER 18 HG SER 18 -6.525 -11.911 7.031 145 H ALA 19 H ALA 19 -3.692 -14.109 5.846 146 HA ALA 19 HA ALA 19 -3.432 -14.744 8.488 147 1HB ALA 19 1HB ALA 19 -2.194 -15.759 6.002 148 2HB ALA 19 2HB ALA 19 -3.154 -16.600 7.221 149 3HB ALA 19 3HB ALA 19 -1.450 -16.255 7.523 150 H ILE 20 H ILE 20 -1.018 -13.177 6.442 151 HA ILE 20 HA ILE 20 1.101 -13.207 8.299 152 HB ILE 20 HB ILE 20 0.513 -11.438 5.935 153 1HG1 ILE 20 2HG1 ILE 20 2.841 -13.271 6.144 154 2HG1 ILE 20 1HG1 ILE 20 1.246 -13.980 5.916 155 1HG2 ILE 20 1HG2 ILE 20 2.563 -11.129 8.015 156 2HG2 ILE 20 2HG2 ILE 20 1.891 -9.943 6.896 157 3HG2 ILE 20 3HG2 ILE 20 3.151 -11.051 6.354 158 1HD1 ILE 20 1HD1 ILE 20 2.975 -12.828 3.990 159 2HD1 ILE 20 2HD1 ILE 20 1.505 -11.857 4.075 160 3HD1 ILE 20 3HD1 ILE 20 1.402 -13.588 3.752 161 H LEU 21 H LEU 21 -0.776 -10.339 7.298 162 HA LEU 21 HA LEU 21 0.011 -8.614 9.271 163 1HB LEU 21 2HB LEU 21 -2.794 -8.813 8.196 164 2HB LEU 21 1HB LEU 21 -2.023 -7.388 8.868 165 HG LEU 21 HG LEU 21 -0.527 -8.511 6.635 166 1HD1 LEU 21 1HD1 LEU 21 -3.201 -8.792 6.273 167 2HD1 LEU 21 2HD1 LEU 21 -2.027 -8.550 4.982 168 3HD1 LEU 21 3HD1 LEU 21 -2.924 -7.176 5.624 169 1HD2 LEU 21 1HD2 LEU 21 -1.136 -5.979 7.843 170 2HD2 LEU 21 2HD2 LEU 21 -1.398 -5.905 6.101 171 3HD2 LEU 21 3HD2 LEU 21 0.167 -6.410 6.736 172 H GLU 22 H GLU 22 -2.245 -11.263 9.520 173 HA GLU 22 HA GLU 22 -3.362 -10.489 12.030 174 1HB GLU 22 2HB GLU 22 -3.370 -13.063 10.478 175 2HB GLU 22 1HB GLU 22 -4.125 -12.918 12.060 176 1HG GLU 22 2HG GLU 22 -5.480 -11.023 11.119 177 2HG GLU 22 1HG GLU 22 -4.854 -11.470 9.532 178 H GLU 23 H GLU 23 -0.485 -12.144 11.047 179 HA GLU 23 HA GLU 23 -0.033 -13.395 13.602 180 1HB GLU 23 2HB GLU 23 0.848 -14.565 11.739 181 2HB GLU 23 1HB GLU 23 1.587 -13.114 11.077 182 1HG GLU 23 2HG GLU 23 3.460 -13.438 12.208 183 2HG GLU 23 1HG GLU 23 2.591 -13.715 13.716 184 H GLU 24 H GLU 24 1.032 -10.526 11.865 185 HA GLU 24 HA GLU 24 2.941 -9.778 13.873 186 1HB GLU 24 2HB GLU 24 2.609 -9.118 11.248 187 2HB GLU 24 1HB GLU 24 2.020 -7.674 12.059 188 1HG GLU 24 2HG GLU 24 4.729 -8.943 12.367 189 2HG GLU 24 1HG GLU 24 4.352 -7.420 11.562 190 H GLY 25 H GLY 25 -0.423 -9.233 13.282 191 1HA GLY 25 2HA GLY 25 -1.957 -8.437 14.863 192 2HA GLY 25 1HA GLY 25 -0.619 -7.783 15.796 193 H TYR 26 H TYR 26 -1.787 -7.321 12.464 194 HA TYR 26 HA TYR 26 -1.687 -4.414 12.934 195 1HB TYR 26 2HB TYR 26 -1.277 -6.056 10.442 196 2HB TYR 26 1HB TYR 26 -1.612 -4.336 10.368 197 HD1 TYR 26 1HD TYR 26 0.814 -5.659 9.239 198 HD2 TYR 26 2HD TYR 26 0.110 -3.934 13.064 199 HE1 TYR 26 1HE TYR 26 3.214 -5.184 9.458 200 HE2 TYR 26 2HE TYR 26 2.506 -3.452 13.292 201 HH TYR 26 HH TYR 26 4.501 -3.080 11.410 202 H HIS 27 H HIS 27 -3.098 -3.346 11.073 203 HA HIS 27 HA HIS 27 -5.735 -4.629 10.987 204 1HB HIS 27 2HB HIS 27 -5.091 -2.340 12.521 205 2HB HIS 27 1HB HIS 27 -5.991 -1.753 11.127 206 HD1 HIS 27 1HD HIS 27 -8.462 -2.557 10.891 207 HD2 HIS 27 2HD HIS 27 -6.569 -3.786 14.380 208 HE1 HIS 27 1HE HIS 27 -10.299 -3.378 12.399 209 HE2 HIS 27 2HE HIS 27 -9.119 -4.206 14.465 210 HA PRO 28 HA PRO 28 -4.349 -3.195 6.860 211 1HB PRO 28 2HB PRO 28 -4.578 -5.517 5.557 212 2HB PRO 28 1HB PRO 28 -3.194 -5.172 6.601 213 1HG PRO 28 2HG PRO 28 -5.609 -6.843 7.144 214 2HG PRO 28 1HG PRO 28 -3.921 -7.133 7.594 215 1HD PRO 28 2HD PRO 28 -5.863 -6.088 9.273 216 2HD PRO 28 1HD PRO 28 -4.115 -5.917 9.512 217 H ASP 29 H ASP 29 -5.591 -2.406 5.296 218 HA ASP 29 HA ASP 29 -8.348 -3.403 5.032 219 1HB ASP 29 2HB ASP 29 -8.233 -1.153 6.105 220 2HB ASP 29 1HB ASP 29 -7.427 -0.547 4.664 221 H THR 30 H THR 30 -8.645 -4.320 3.098 222 HA THR 30 HA THR 30 -6.860 -3.534 0.913 223 HB THR 30 HB THR 30 -7.476 -5.658 -0.137 224 HG1 THR 30 1HG THR 30 -9.351 -6.401 0.425 225 1HG2 THR 30 1HG2 THR 30 -5.923 -6.711 1.024 226 2HG2 THR 30 2HG2 THR 30 -6.998 -6.859 2.414 227 3HG2 THR 30 3HG2 THR 30 -5.999 -5.420 2.224 228 H ALA 31 H ALA 31 -7.565 -2.434 -0.772 229 HA ALA 31 HA ALA 31 -10.443 -1.959 -1.039 230 1HB ALA 31 1HB ALA 31 -9.957 0.065 -2.022 231 2HB ALA 31 2HB ALA 31 -8.396 -0.484 -2.634 232 3HB ALA 31 3HB ALA 31 -8.591 -0.113 -0.921 233 H LYS 32 H LYS 32 -10.529 -1.202 -3.716 234 HA LYS 32 HA LYS 32 -9.798 -3.679 -5.123 235 1HB LYS 32 2HB LYS 32 -12.228 -2.381 -6.121 236 2HB LYS 32 1HB LYS 32 -11.899 -4.082 -5.821 237 1HG LYS 32 2HG LYS 32 -12.588 -3.956 -3.612 238 2HG LYS 32 1HG LYS 32 -12.383 -2.207 -3.548 239 1HD LYS 32 2HD LYS 32 -14.395 -1.796 -4.548 240 2HD LYS 32 1HD LYS 32 -14.355 -3.292 -5.483 241 1HE LYS 32 2HE LYS 32 -16.092 -3.494 -3.860 242 2HE LYS 32 1HE LYS 32 -14.764 -4.540 -3.359 243 1HZ LYS 32 1HZ LYS 32 -15.855 -3.086 -1.598 244 2HZ LYS 32 2HZ LYS 32 -15.036 -1.789 -2.313 245 3HZ LYS 32 3HZ LYS 32 -14.165 -3.084 -1.661 246 H THR 33 H THR 33 -9.448 -0.377 -5.021 247 HA THR 33 HA THR 33 -8.092 -0.264 -7.493 248 HB THR 33 HB THR 33 -9.870 1.743 -8.113 249 HG1 THR 33 1HG THR 33 -11.922 0.720 -8.006 250 1HG2 THR 33 1HG2 THR 33 -8.860 -0.121 -9.562 251 2HG2 THR 33 2HG2 THR 33 -10.437 0.535 -10.000 252 3HG2 THR 33 3HG2 THR 33 -10.328 -1.013 -9.165 253 H LEU 34 H LEU 34 -7.868 2.322 -8.031 254 HA LEU 34 HA LEU 34 -6.605 3.363 -5.668 255 1HB LEU 34 2HB LEU 34 -6.976 4.628 -8.387 256 2HB LEU 34 1HB LEU 34 -5.931 5.234 -7.116 257 HG LEU 34 HG LEU 34 -5.548 2.495 -8.298 258 1HD1 LEU 34 1HD1 LEU 34 -4.039 4.922 -9.204 259 2HD1 LEU 34 2HD1 LEU 34 -5.508 4.385 -10.021 260 3HD1 LEU 34 3HD1 LEU 34 -4.106 3.319 -9.937 261 1HD2 LEU 34 1HD2 LEU 34 -4.461 3.608 -6.093 262 2HD2 LEU 34 2HD2 LEU 34 -3.302 4.125 -7.317 263 3HD2 LEU 34 3HD2 LEU 34 -3.645 2.411 -7.096 264 H ARG 35 H ARG 35 -9.562 3.926 -7.431 265 HA ARG 35 HA ARG 35 -10.233 6.389 -6.167 266 1HB ARG 35 2HB ARG 35 -11.251 4.964 -8.278 267 2HB ARG 35 1HB ARG 35 -12.471 4.690 -7.042 268 1HG ARG 35 2HG ARG 35 -12.156 7.344 -6.788 269 2HG ARG 35 1HG ARG 35 -11.761 7.150 -8.497 270 1HD ARG 35 2HD ARG 35 -13.871 6.125 -8.942 271 2HD ARG 35 1HD ARG 35 -14.245 6.019 -7.222 272 HE ARG 35 HE ARG 35 -13.822 8.712 -7.952 273 1HH1 ARG 35 1HH1 ARG 35 -16.148 6.134 -8.309 274 2HH1 ARG 35 2HH1 ARG 35 -17.498 7.207 -8.468 275 1HH2 ARG 35 1HH2 ARG 35 -15.597 10.123 -8.160 276 2HH2 ARG 35 2HH2 ARG 35 -17.186 9.471 -8.383 277 H GLU 36 H GLU 36 -11.087 2.998 -5.599 278 HA GLU 36 HA GLU 36 -12.791 3.432 -3.403 279 1HB GLU 36 2HB GLU 36 -11.400 1.127 -4.613 280 2HB GLU 36 1HB GLU 36 -11.746 0.961 -2.898 281 1HG GLU 36 2HG GLU 36 -13.517 0.005 -4.253 282 2HG GLU 36 1HG GLU 36 -14.104 1.377 -3.315 283 H ALA 37 H ALA 37 -9.301 3.080 -3.692 284 HA ALA 37 HA ALA 37 -8.792 2.869 -0.896 285 1HB ALA 37 1HB ALA 37 -6.688 4.042 -2.598 286 2HB ALA 37 2HB ALA 37 -7.286 2.461 -3.103 287 3HB ALA 37 3HB ALA 37 -6.619 2.676 -1.485 288 H GLU 38 H GLU 38 -8.639 5.580 -3.204 289 HA GLU 38 HA GLU 38 -7.735 7.589 -1.590 290 1HB GLU 38 2HB GLU 38 -9.775 7.590 -3.785 291 2HB GLU 38 1HB GLU 38 -9.377 9.074 -2.931 292 1HG GLU 38 2HG GLU 38 -7.066 8.884 -3.604 293 2HG GLU 38 1HG GLU 38 -7.395 7.336 -4.381 294 H LYS 39 H LYS 39 -11.091 6.474 -1.888 295 HA LYS 39 HA LYS 39 -12.229 8.255 -0.049 296 1HB LYS 39 2HB LYS 39 -13.589 6.857 -1.522 297 2HB LYS 39 1HB LYS 39 -13.025 5.409 -0.700 298 1HG LYS 39 2HG LYS 39 -14.268 7.416 1.044 299 2HG LYS 39 1HG LYS 39 -15.343 6.686 -0.150 300 1HD LYS 39 2HD LYS 39 -13.954 4.523 0.832 301 2HD LYS 39 1HD LYS 39 -14.159 5.539 2.260 302 1HE LYS 39 2HE LYS 39 -16.084 4.264 2.297 303 2HE LYS 39 1HE LYS 39 -16.622 5.717 1.456 304 1HZ LYS 39 1HZ LYS 39 -16.064 3.042 0.352 305 2HZ LYS 39 2HZ LYS 39 -15.995 4.405 -0.646 306 3HZ LYS 39 3HZ LYS 39 -17.435 4.012 0.149 307 H LYS 40 H LYS 40 -11.047 4.936 0.432 308 HA LYS 40 HA LYS 40 -11.410 4.882 3.222 309 1HB LYS 40 2HB LYS 40 -9.381 3.327 1.611 310 2HB LYS 40 1HB LYS 40 -10.027 2.896 3.189 311 1HG LYS 40 2HG LYS 40 -12.248 3.207 1.511 312 2HG LYS 40 1HG LYS 40 -11.051 2.306 0.579 313 1HD LYS 40 2HD LYS 40 -11.041 0.532 2.054 314 2HD LYS 40 1HD LYS 40 -11.597 1.520 3.407 315 1HE LYS 40 2HE LYS 40 -13.817 1.555 2.592 316 2HE LYS 40 1HE LYS 40 -13.328 0.916 1.023 317 1HZ LYS 40 1HZ LYS 40 -14.324 -0.838 2.244 318 2HZ LYS 40 2HZ LYS 40 -13.380 -0.528 3.612 319 3HZ LYS 40 3HZ LYS 40 -12.660 -1.149 2.213 320 H ILE 41 H ILE 41 -8.945 6.305 1.253 321 HA ILE 41 HA ILE 41 -7.094 6.547 3.500 322 HB ILE 41 HB ILE 41 -6.806 7.523 0.665 323 1HG1 ILE 41 2HG1 ILE 41 -5.276 5.230 1.831 324 2HG1 ILE 41 1HG1 ILE 41 -6.919 4.960 1.262 325 1HG2 ILE 41 1HG2 ILE 41 -4.974 7.547 3.031 326 2HG2 ILE 41 2HG2 ILE 41 -5.345 8.844 1.895 327 3HG2 ILE 41 3HG2 ILE 41 -4.325 7.495 1.392 328 1HD1 ILE 41 1HD1 ILE 41 -5.858 4.495 -0.662 329 2HD1 ILE 41 2HD1 ILE 41 -4.447 5.467 -0.245 330 3HD1 ILE 41 3HD1 ILE 41 -5.905 6.246 -0.861 331 H LYS 42 H LYS 42 -9.592 8.356 2.024 332 HA LYS 42 HA LYS 42 -8.554 10.870 3.104 333 1HB LYS 42 2HB LYS 42 -9.901 10.278 0.744 334 2HB LYS 42 1HB LYS 42 -11.091 11.093 1.746 335 1HG LYS 42 2HG LYS 42 -8.445 12.358 1.679 336 2HG LYS 42 1HG LYS 42 -9.316 12.347 0.144 337 1HD LYS 42 2HD LYS 42 -11.083 13.599 0.998 338 2HD LYS 42 1HD LYS 42 -10.684 13.199 2.670 339 1HE LYS 42 2HE LYS 42 -8.829 14.812 0.947 340 2HE LYS 42 1HE LYS 42 -10.152 15.565 1.837 341 1HZ LYS 42 1HZ LYS 42 -7.657 14.461 2.815 342 2HZ LYS 42 2HZ LYS 42 -9.017 14.095 3.751 343 3HZ LYS 42 3HZ LYS 42 -8.611 15.708 3.444 344 H GLU 43 H GLU 43 -9.758 8.564 4.635 345 HA GLU 43 HA GLU 43 -11.602 10.204 6.189 346 1HB GLU 43 2HB GLU 43 -12.280 7.616 4.886 347 2HB GLU 43 1HB GLU 43 -13.000 8.004 6.441 348 1HG GLU 43 2HG GLU 43 -13.768 10.169 5.412 349 2HG GLU 43 1HG GLU 43 -13.263 9.511 3.857 350 H LEU 44 H LEU 44 -10.058 6.968 6.080 351 HA LEU 44 HA LEU 44 -9.723 7.140 8.987 352 1HB LEU 44 2HB LEU 44 -8.831 4.684 7.618 353 2HB LEU 44 1HB LEU 44 -9.710 4.872 9.119 354 HG LEU 44 HG LEU 44 -11.407 3.948 7.982 355 1HD1 LEU 44 1HD1 LEU 44 -11.834 6.340 6.310 356 2HD1 LEU 44 2HD1 LEU 44 -11.776 6.585 8.057 357 3HD1 LEU 44 3HD1 LEU 44 -12.951 5.475 7.359 358 1HD2 LEU 44 1HD2 LEU 44 -11.133 3.195 5.909 359 2HD2 LEU 44 2HD2 LEU 44 -9.571 4.012 5.918 360 3HD2 LEU 44 3HD2 LEU 44 -10.987 4.825 5.252 361 H PHE 45 H PHE 45 -8.245 8.348 6.659 362 HA PHE 45 HA PHE 45 -6.036 8.509 5.850 363 1HB PHE 45 2HB PHE 45 -6.220 10.399 7.169 364 2HB PHE 45 1HB PHE 45 -6.349 9.476 8.656 365 HD1 PHE 45 1HD PHE 45 -3.948 10.449 5.995 366 HD2 PHE 45 2HD PHE 45 -4.484 9.185 10.023 367 HE1 PHE 45 1HE PHE 45 -1.561 10.853 6.436 368 HE2 PHE 45 2HE PHE 45 -2.099 9.586 10.471 369 HZ PHE 45 HZ PHE 45 -0.633 10.423 8.676 370 H PHE 46 H PHE 46 -5.362 6.372 5.426 371 HA PHE 46 HA PHE 46 -4.311 4.646 7.408 372 1HB PHE 46 2HB PHE 46 -4.048 4.707 4.407 373 2HB PHE 46 1HB PHE 46 -3.288 3.464 5.393 374 HD1 PHE 46 1HD PHE 46 -6.038 4.163 3.448 375 HD2 PHE 46 2HD PHE 46 -5.012 2.400 7.182 376 HE1 PHE 46 1HE PHE 46 -8.124 2.864 3.402 377 HE2 PHE 46 2HE PHE 46 -7.102 1.097 7.143 378 HZ PHE 46 HZ PHE 46 -8.660 1.330 5.253 379 HA PRO 47 HA PRO 47 -0.204 6.280 7.727 380 1HB PRO 47 2HB PRO 47 0.892 3.970 8.881 381 2HB PRO 47 1HB PRO 47 0.131 5.307 9.739 382 1HG PRO 47 2HG PRO 47 -0.825 2.652 9.499 383 2HG PRO 47 1HG PRO 47 -1.658 4.031 10.229 384 1HD PRO 47 2HD PRO 47 -2.019 2.801 7.569 385 2HD PRO 47 1HD PRO 47 -3.155 3.757 8.540 386 H VAL 48 H VAL 48 -0.358 2.875 6.675 387 HA VAL 48 HA VAL 48 1.843 3.433 4.800 388 HB VAL 48 HB VAL 48 1.095 0.744 5.951 389 1HG1 VAL 48 1HG1 VAL 48 2.529 1.315 3.695 390 2HG1 VAL 48 2HG1 VAL 48 2.668 -0.164 4.645 391 3HG1 VAL 48 3HG1 VAL 48 3.793 1.167 4.915 392 1HG2 VAL 48 1HG2 VAL 48 1.880 2.030 7.776 393 2HG2 VAL 48 2HG2 VAL 48 3.185 2.727 6.815 394 3HG2 VAL 48 3HG2 VAL 48 3.229 1.019 7.257 395 H ILE 49 H ILE 49 1.387 3.266 2.697 396 HA ILE 49 HA ILE 49 -1.095 1.871 1.924 397 HB ILE 49 HB ILE 49 0.312 3.986 0.298 398 1HG1 ILE 49 2HG1 ILE 49 -0.393 4.932 2.465 399 2HG1 ILE 49 1HG1 ILE 49 -1.337 5.586 1.130 400 1HG2 ILE 49 1HG2 ILE 49 -2.589 3.396 0.100 401 2HG2 ILE 49 2HG2 ILE 49 -1.460 2.222 -0.574 402 3HG2 ILE 49 3HG2 ILE 49 -1.444 3.890 -1.148 403 1HD1 ILE 49 1HD1 ILE 49 -2.178 4.006 3.434 404 2HD1 ILE 49 2HD1 ILE 49 -2.859 3.466 1.899 405 3HD1 ILE 49 3HD1 ILE 49 -3.090 5.132 2.429 406 H VAL 50 H VAL 50 -0.909 0.095 0.716 407 HA VAL 50 HA VAL 50 1.569 -0.286 -0.833 408 HB VAL 50 HB VAL 50 0.097 -2.441 0.685 409 1HG1 VAL 50 1HG1 VAL 50 2.703 -2.587 -0.827 410 2HG1 VAL 50 2HG1 VAL 50 1.159 -3.196 -1.420 411 3HG1 VAL 50 3HG1 VAL 50 1.895 -3.907 0.016 412 1HG2 VAL 50 1HG2 VAL 50 1.776 -2.395 2.290 413 2HG2 VAL 50 2HG2 VAL 50 1.488 -0.685 1.965 414 3HG2 VAL 50 3HG2 VAL 50 2.881 -1.496 1.249 415 H LEU 51 H LEU 51 0.975 -0.069 -2.869 416 HA LEU 51 HA LEU 51 -1.593 -0.924 -3.857 417 1HB LEU 51 2HB LEU 51 -0.413 1.084 -4.720 418 2HB LEU 51 1HB LEU 51 0.831 0.041 -5.379 419 HG LEU 51 HG LEU 51 -0.839 -0.996 -6.869 420 1HD1 LEU 51 1HD1 LEU 51 -2.927 -0.853 -5.972 421 2HD1 LEU 51 2HD1 LEU 51 -2.985 0.546 -7.044 422 3HD1 LEU 51 3HD1 LEU 51 -2.660 0.765 -5.325 423 1HD2 LEU 51 1HD2 LEU 51 -0.296 1.936 -6.929 424 2HD2 LEU 51 2HD2 LEU 51 -1.345 1.221 -8.153 425 3HD2 LEU 51 3HD2 LEU 51 0.317 0.655 -7.975 426 H ASP 52 H ASP 52 -1.715 -2.361 -5.824 427 HA ASP 52 HA ASP 52 0.273 -4.526 -5.680 428 1HB ASP 52 2HB ASP 52 -1.883 -5.080 -4.510 429 2HB ASP 52 1HB ASP 52 -2.689 -4.953 -6.072 430 H VAL 53 H VAL 53 -2.479 -3.400 -7.668 431 HA VAL 53 HA VAL 53 -2.687 -3.114 -9.926 432 HB VAL 53 HB VAL 53 0.299 -3.521 -10.130 433 1HG1 VAL 53 1HG1 VAL 53 -1.175 -3.524 -12.202 434 2HG1 VAL 53 2HG1 VAL 53 0.180 -2.396 -12.184 435 3HG1 VAL 53 3HG1 VAL 53 -1.455 -1.814 -11.868 436 1HG2 VAL 53 1HG2 VAL 53 0.030 -1.810 -8.506 437 2HG2 VAL 53 2HG2 VAL 53 -1.252 -1.036 -9.437 438 3HG2 VAL 53 3HG2 VAL 53 0.409 -1.009 -10.031 439 H TRP 54 H TRP 54 -3.651 -5.385 -9.454 440 HA TRP 54 HA TRP 54 -2.095 -7.504 -10.739 441 1HB TRP 54 2HB TRP 54 -3.112 -8.066 -8.601 442 2HB TRP 54 1HB TRP 54 -4.701 -7.615 -9.207 443 HD1 TRP 54 HD TRP 54 -6.043 -9.775 -9.471 444 HE1 TRP 54 1HE TRP 54 -5.615 -12.102 -10.484 445 HE3 TRP 54 3HE TRP 54 -1.110 -9.231 -10.704 446 HZ2 TRP 54 2HZ TRP 54 -3.470 -13.519 -11.652 447 HZ3 TRP 54 3HZ TRP 54 0.055 -11.119 -11.765 448 HH2 TRP 54 HH TRP 54 -1.101 -13.219 -12.228 449 H MET 55 H MET 55 -5.611 -7.110 -10.796 450 HA MET 55 HA MET 55 -5.645 -7.774 -13.602 451 1HB MET 55 2HB MET 55 -7.981 -7.082 -11.823 452 2HB MET 55 1HB MET 55 -8.032 -7.928 -13.364 453 1HG MET 55 2HG MET 55 -6.364 -9.530 -11.973 454 2HG MET 55 1HG MET 55 -7.389 -8.919 -10.677 455 1HE MET 55 1HE MET 55 -7.632 -12.225 -11.266 456 2HE MET 55 2HE MET 55 -9.327 -12.060 -10.807 457 3HE MET 55 3HE MET 55 -8.099 -11.066 -10.023 458 HA PRO 56 HA PRO 56 -7.329 -3.299 -13.855 459 1HB PRO 56 2HB PRO 56 -6.722 -1.546 -11.936 460 2HB PRO 56 1HB PRO 56 -8.067 -2.679 -11.751 461 1HG PRO 56 2HG PRO 56 -5.311 -2.802 -10.604 462 2HG PRO 56 1HG PRO 56 -6.859 -3.207 -9.844 463 1HD PRO 56 2HD PRO 56 -5.103 -5.043 -10.930 464 2HD PRO 56 1HD PRO 56 -6.833 -5.332 -10.676 465 H ASP 57 H ASP 57 -6.256 -0.960 -13.915 466 HA ASP 57 HA ASP 57 -3.429 -0.800 -13.947 467 1HB ASP 57 2HB ASP 57 -3.708 -2.264 -15.911 468 2HB ASP 57 1HB ASP 57 -4.767 -1.066 -16.648 469 H GLY 58 H GLY 58 -4.939 0.889 -12.713 470 1HA GLY 58 2HA GLY 58 -5.785 3.080 -14.420 471 2HA GLY 58 1HA GLY 58 -5.934 3.000 -12.672 472 H ASP 59 H ASP 59 -2.817 2.202 -13.769 473 HA ASP 59 HA ASP 59 -0.804 3.237 -13.566 474 1HB ASP 59 2HB ASP 59 -2.571 5.300 -14.777 475 2HB ASP 59 1HB ASP 59 -1.017 5.844 -14.151 476 H GLY 60 H GLY 60 -0.506 2.991 -11.364 477 1HA GLY 60 2HA GLY 60 -1.678 4.697 -9.417 478 2HA GLY 60 1HA GLY 60 -0.325 3.608 -9.156 479 H VAL 61 H VAL 61 0.787 5.306 -11.635 480 HA VAL 61 HA VAL 61 2.693 6.744 -10.278 481 HB VAL 61 HB VAL 61 1.552 7.576 -12.943 482 1HG1 VAL 61 1HG1 VAL 61 4.168 7.977 -11.542 483 2HG1 VAL 61 2HG1 VAL 61 3.097 9.179 -12.263 484 3HG1 VAL 61 3HG1 VAL 61 4.034 8.100 -13.298 485 1HG2 VAL 61 1HG2 VAL 61 3.394 5.308 -12.242 486 2HG2 VAL 61 2HG2 VAL 61 3.392 6.049 -13.842 487 3HG2 VAL 61 3HG2 VAL 61 1.932 5.277 -13.227 488 H ASN 62 H ASN 62 -0.377 7.971 -11.613 489 HA ASN 62 HA ASN 62 -0.007 10.587 -10.576 490 1HB ASN 62 2HB ASN 62 -2.318 10.876 -11.400 491 2HB ASN 62 1HB ASN 62 -1.243 10.214 -12.614 492 1HD2 ASN 62 1HD2 ASN 62 -3.886 9.552 -10.445 493 2HD2 ASN 62 2HD2 ASN 62 -4.390 8.078 -11.193 494 H PHE 63 H PHE 63 -0.787 7.730 -9.049 495 HA PHE 63 HA PHE 63 -2.776 8.846 -7.256 496 1HB PHE 63 2HB PHE 63 -2.957 6.497 -8.001 497 2HB PHE 63 1HB PHE 63 -1.432 6.138 -7.197 498 HD1 PHE 63 1HD PHE 63 -4.193 8.279 -5.967 499 HD2 PHE 63 2HD PHE 63 -2.082 4.608 -5.553 500 HE1 PHE 63 1HE PHE 63 -5.404 7.824 -3.877 501 HE2 PHE 63 2HE PHE 63 -3.293 4.144 -3.462 502 HZ PHE 63 HZ PHE 63 -4.958 5.755 -2.624 503 H ILE 64 H ILE 64 0.597 7.764 -7.122 504 HA ILE 64 HA ILE 64 1.169 7.862 -4.468 505 HB ILE 64 HB ILE 64 2.915 9.040 -6.632 506 1HG1 ILE 64 2HG1 ILE 64 3.809 6.479 -5.889 507 2HG1 ILE 64 1HG1 ILE 64 2.064 6.332 -6.082 508 1HG2 ILE 64 1HG2 ILE 64 4.737 8.241 -5.018 509 2HG2 ILE 64 2HG2 ILE 64 3.457 8.195 -3.804 510 3HG2 ILE 64 3HG2 ILE 64 3.861 9.715 -4.603 511 1HD1 ILE 64 1HD1 ILE 64 3.987 7.403 -8.131 512 2HD1 ILE 64 2HD1 ILE 64 2.241 7.267 -8.327 513 3HD1 ILE 64 3HD1 ILE 64 3.221 5.814 -8.145 514 H ASP 65 H ASP 65 0.465 10.577 -6.545 515 HA ASP 65 HA ASP 65 1.422 12.612 -4.822 516 1HB ASP 65 2HB ASP 65 0.761 12.757 -7.328 517 2HB ASP 65 1HB ASP 65 -0.876 12.997 -6.725 518 H PHE 66 H PHE 66 -1.903 11.407 -5.407 519 HA PHE 66 HA PHE 66 -3.265 12.924 -3.580 520 1HB PHE 66 2HB PHE 66 -4.492 11.470 -5.015 521 2HB PHE 66 1HB PHE 66 -3.646 10.048 -4.418 522 HD1 PHE 66 1HD PHE 66 -4.093 9.264 -2.075 523 HD2 PHE 66 2HD PHE 66 -6.461 12.234 -3.994 524 HE1 PHE 66 1HE PHE 66 -5.892 8.881 -0.442 525 HE2 PHE 66 2HE PHE 66 -8.264 11.857 -2.364 526 HZ PHE 66 HZ PHE 66 -7.981 10.179 -0.584 527 H ILE 67 H ILE 67 -1.367 10.001 -2.999 528 HA ILE 67 HA ILE 67 -2.042 9.630 -0.302 529 HB ILE 67 HB ILE 67 0.461 8.902 -1.825 530 1HG1 ILE 67 2HG1 ILE 67 -0.604 6.569 -1.334 531 2HG1 ILE 67 1HG1 ILE 67 -2.075 7.495 -1.054 532 1HG2 ILE 67 1HG2 ILE 67 1.407 8.779 0.226 533 2HG2 ILE 67 2HG2 ILE 67 0.543 7.242 0.282 534 3HG2 ILE 67 3HG2 ILE 67 -0.146 8.671 1.056 535 1HD1 ILE 67 1HD1 ILE 67 -0.554 7.951 -3.564 536 2HD1 ILE 67 2HD1 ILE 67 -2.285 8.078 -3.251 537 3HD1 ILE 67 3HD1 ILE 67 -1.530 6.492 -3.404 538 H LYS 68 H LYS 68 0.663 11.437 -1.776 539 HA LYS 68 HA LYS 68 1.574 12.374 0.784 540 1HB LYS 68 2HB LYS 68 2.303 13.356 -1.984 541 2HB LYS 68 1HB LYS 68 3.171 13.711 -0.496 542 1HG LYS 68 2HG LYS 68 2.798 10.857 -1.157 543 2HG LYS 68 1HG LYS 68 3.892 11.779 -2.190 544 1HD LYS 68 2HD LYS 68 5.459 11.930 -0.592 545 2HD LYS 68 1HD LYS 68 4.271 12.277 0.666 546 1HE LYS 68 2HE LYS 68 4.969 10.238 1.393 547 2HE LYS 68 1HE LYS 68 3.694 9.715 0.293 548 1HZ LYS 68 1HZ LYS 68 6.614 9.621 -0.076 549 2HZ LYS 68 2HZ LYS 68 5.596 9.673 -1.428 550 3HZ LYS 68 3HZ LYS 68 5.467 8.402 -0.319 551 H GLU 69 H GLU 69 -0.803 13.369 -1.469 552 HA GLU 69 HA GLU 69 -0.819 16.149 -0.940 553 1HB GLU 69 2HB GLU 69 -1.923 14.927 -2.878 554 2HB GLU 69 1HB GLU 69 -3.204 14.506 -1.751 555 1HG GLU 69 2HG GLU 69 -3.233 17.095 -1.318 556 2HG GLU 69 1HG GLU 69 -2.495 17.144 -2.919 557 H ASN 70 H ASN 70 -2.790 13.473 0.313 558 HA ASN 70 HA ASN 70 -3.555 15.202 2.572 559 1HB ASN 70 2HB ASN 70 -5.098 12.756 1.750 560 2HB ASN 70 1HB ASN 70 -5.646 14.143 2.687 561 1HD2 ASN 70 1HD2 ASN 70 -4.523 13.202 -0.529 562 2HD2 ASN 70 2HD2 ASN 70 -5.476 14.354 -1.394 563 H SER 71 H SER 71 -1.232 13.224 2.083 564 HA SER 71 HA SER 71 -1.215 12.177 4.752 565 1HB SER 71 2HB SER 71 -2.049 10.474 2.547 566 2HB SER 71 1HB SER 71 -0.617 9.838 3.354 567 HG SER 71 HG SER 71 -2.179 9.062 4.599 568 HA PRO 72 HA PRO 72 2.893 13.139 2.771 569 1HB PRO 72 2HB PRO 72 3.298 14.989 4.976 570 2HB PRO 72 1HB PRO 72 3.298 15.317 3.243 571 1HG PRO 72 2HG PRO 72 1.348 16.193 4.924 572 2HG PRO 72 1HG PRO 72 1.067 15.839 3.210 573 1HD PRO 72 2HD PRO 72 0.436 14.180 5.620 574 2HD PRO 72 1HD PRO 72 -0.520 14.437 4.145 575 H ASP 73 H ASP 73 1.753 12.221 5.845 576 HA ASP 73 HA ASP 73 4.410 11.405 6.752 577 1HB ASP 73 2HB ASP 73 2.020 12.300 8.070 578 2HB ASP 73 1HB ASP 73 2.525 10.741 8.709 579 H SER 74 H SER 74 1.945 10.122 4.978 580 HA SER 74 HA SER 74 1.902 7.485 6.143 581 1HB SER 74 2HB SER 74 -0.100 8.364 5.035 582 2HB SER 74 1HB SER 74 0.791 8.501 3.519 583 HG SER 74 HG SER 74 0.734 6.373 3.266 584 H VAL 75 H VAL 75 2.185 5.620 4.414 585 HA VAL 75 HA VAL 75 4.812 6.039 3.149 586 HB VAL 75 HB VAL 75 3.696 3.442 4.230 587 1HG1 VAL 75 1HG1 VAL 75 6.309 4.176 2.931 588 2HG1 VAL 75 2HG1 VAL 75 5.169 2.912 2.468 589 3HG1 VAL 75 3HG1 VAL 75 6.125 2.740 3.939 590 1HG2 VAL 75 1HG2 VAL 75 4.570 5.486 5.756 591 2HG2 VAL 75 2HG2 VAL 75 6.094 4.657 5.437 592 3HG2 VAL 75 3HG2 VAL 75 4.759 3.786 6.190 593 H VAL 76 H VAL 76 5.246 4.741 1.242 594 HA VAL 76 HA VAL 76 2.889 3.780 -0.201 595 HB VAL 76 HB VAL 76 4.727 5.507 -1.776 596 1HG1 VAL 76 1HG1 VAL 76 2.508 4.086 -2.379 597 2HG1 VAL 76 2HG1 VAL 76 3.061 5.494 -3.287 598 3HG1 VAL 76 3HG1 VAL 76 1.806 5.674 -2.060 599 1HG2 VAL 76 1HG2 VAL 76 2.522 6.646 -0.061 600 2HG2 VAL 76 2HG2 VAL 76 3.508 7.530 -1.226 601 3HG2 VAL 76 3HG2 VAL 76 4.249 6.858 0.226 602 H ILE 77 H ILE 77 3.883 1.720 0.123 603 HA ILE 77 HA ILE 77 6.484 1.135 -0.889 604 HB ILE 77 HB ILE 77 4.245 -0.824 -0.371 605 1HG1 ILE 77 2HG1 ILE 77 4.595 0.520 1.625 606 2HG1 ILE 77 1HG1 ILE 77 5.267 -1.088 1.876 607 1HG2 ILE 77 1HG2 ILE 77 6.063 -1.780 -1.635 608 2HG2 ILE 77 2HG2 ILE 77 6.105 -2.404 0.014 609 3HG2 ILE 77 3HG2 ILE 77 7.240 -1.149 -0.483 610 1HD1 ILE 77 1HD1 ILE 77 7.345 0.491 0.837 611 2HD1 ILE 77 2HD1 ILE 77 7.174 -0.148 2.472 612 3HD1 ILE 77 3HD1 ILE 77 6.544 1.451 2.081 613 H VAL 78 H VAL 78 3.189 0.633 -2.103 614 HA VAL 78 HA VAL 78 2.384 0.033 -4.158 615 HB VAL 78 HB VAL 78 4.736 1.552 -5.273 616 1HG1 VAL 78 1HG1 VAL 78 1.881 1.451 -6.223 617 2HG1 VAL 78 2HG1 VAL 78 3.132 0.349 -6.797 618 3HG1 VAL 78 3HG1 VAL 78 3.287 2.083 -7.078 619 1HG2 VAL 78 1HG2 VAL 78 2.347 2.556 -3.782 620 2HG2 VAL 78 2HG2 VAL 78 3.054 3.524 -5.076 621 3HG2 VAL 78 3HG2 VAL 78 4.031 3.070 -3.679 622 H ILE 79 H ILE 79 2.831 -2.203 -3.976 623 HA ILE 79 HA ILE 79 5.222 -3.134 -5.419 624 HB ILE 79 HB ILE 79 3.435 -4.908 -3.780 625 1HG1 ILE 79 2HG1 ILE 79 5.853 -3.435 -2.730 626 2HG1 ILE 79 1HG1 ILE 79 4.190 -2.962 -2.395 627 1HG2 ILE 79 1HG2 ILE 79 5.805 -5.985 -3.487 628 2HG2 ILE 79 2HG2 ILE 79 6.172 -5.062 -4.944 629 3HG2 ILE 79 3HG2 ILE 79 4.872 -6.253 -4.958 630 1HD1 ILE 79 1HD1 ILE 79 5.229 -4.249 -0.573 631 2HD1 ILE 79 2HD1 ILE 79 5.392 -5.621 -1.670 632 3HD1 ILE 79 3HD1 ILE 79 3.790 -5.026 -1.233 633 H THR 80 H THR 80 4.994 -4.816 -6.989 634 HA THR 80 HA THR 80 2.348 -5.595 -7.846 635 HB THR 80 HB THR 80 2.345 -4.607 -9.985 636 HG1 THR 80 1HG THR 80 4.099 -3.811 -10.964 637 1HG2 THR 80 1HG2 THR 80 1.810 -2.949 -8.270 638 2HG2 THR 80 2HG2 THR 80 2.590 -2.222 -9.674 639 3HG2 THR 80 3HG2 THR 80 3.510 -2.489 -8.193 640 H GLY 81 H GLY 81 2.825 -6.614 -10.297 641 1HA GLY 81 2HA GLY 81 5.308 -8.103 -10.317 642 2HA GLY 81 1HA GLY 81 3.885 -9.068 -9.956 643 H HIS 82 H HIS 82 2.025 -7.850 -11.639 644 HA HIS 82 HA HIS 82 2.774 -9.035 -14.145 645 1HB HIS 82 2HB HIS 82 0.394 -8.697 -12.864 646 2HB HIS 82 1HB HIS 82 0.316 -7.406 -14.058 647 HD1 HIS 82 1HD HIS 82 1.473 -11.034 -14.270 648 HD2 HIS 82 2HD HIS 82 -1.057 -8.347 -16.177 649 HE1 HIS 82 1HE HIS 82 0.478 -12.302 -16.199 650 HE2 HIS 82 2HE HIS 82 -1.114 -10.681 -17.289 651 H GLY 83 H GLY 83 4.647 -7.349 -14.140 652 1HA GLY 83 2HA GLY 83 4.194 -5.589 -16.296 653 2HA GLY 83 1HA GLY 83 4.199 -4.668 -14.800 654 H SER 84 H SER 84 6.071 -3.593 -15.752 655 HA SER 84 HA SER 84 8.532 -5.188 -15.457 656 1HB SER 84 2HB SER 84 9.537 -3.340 -16.945 657 2HB SER 84 1HB SER 84 8.473 -4.517 -17.716 658 HG SER 84 HG SER 84 7.742 -1.918 -16.833 659 H VAL 85 H VAL 85 10.471 -3.790 -14.882 660 HA VAL 85 HA VAL 85 9.984 -2.542 -12.393 661 HB VAL 85 HB VAL 85 12.099 -3.680 -12.905 662 1HG1 VAL 85 1HG1 VAL 85 12.046 -2.400 -15.281 663 2HG1 VAL 85 2HG1 VAL 85 13.491 -3.137 -14.589 664 3HG1 VAL 85 3HG1 VAL 85 13.209 -1.407 -14.405 665 1HG2 VAL 85 1HG2 VAL 85 12.568 -0.763 -12.303 666 2HG2 VAL 85 2HG2 VAL 85 13.568 -2.130 -11.812 667 3HG2 VAL 85 3HG2 VAL 85 11.950 -1.933 -11.136 668 H ASP 86 H ASP 86 9.791 -1.344 -15.572 669 HA ASP 86 HA ASP 86 10.619 1.321 -15.187 670 1HB ASP 86 2HB ASP 86 10.297 0.312 -17.412 671 2HB ASP 86 1HB ASP 86 8.561 0.243 -17.126 672 H THR 87 H THR 87 7.764 -0.358 -14.193 673 HA THR 87 HA THR 87 6.184 2.042 -13.885 674 HB THR 87 HB THR 87 5.379 -0.461 -14.229 675 HG1 THR 87 1HG THR 87 4.078 1.475 -13.960 676 1HG2 THR 87 1HG2 THR 87 6.436 -0.974 -11.851 677 2HG2 THR 87 2HG2 THR 87 4.959 -1.756 -12.416 678 3HG2 THR 87 3HG2 THR 87 4.863 -0.383 -11.314 679 H ALA 88 H ALA 88 8.310 0.051 -11.992 680 HA ALA 88 HA ALA 88 7.685 0.986 -9.420 681 1HB ALA 88 1HB ALA 88 10.164 0.366 -9.000 682 2HB ALA 88 2HB ALA 88 10.132 -0.217 -10.663 683 3HB ALA 88 3HB ALA 88 9.040 -0.911 -9.467 684 H VAL 89 H VAL 89 10.335 1.922 -11.581 685 HA VAL 89 HA VAL 89 11.208 4.124 -10.097 686 HB VAL 89 HB VAL 89 12.436 4.803 -12.062 687 1HG1 VAL 89 1HG1 VAL 89 13.117 2.745 -10.804 688 2HG1 VAL 89 2HG1 VAL 89 13.700 2.825 -12.467 689 3HG1 VAL 89 3HG1 VAL 89 12.327 1.794 -12.062 690 1HG2 VAL 89 1HG2 VAL 89 11.951 3.185 -14.143 691 2HG2 VAL 89 2HG2 VAL 89 11.172 4.755 -13.944 692 3HG2 VAL 89 3HG2 VAL 89 10.324 3.283 -13.469 693 H LYS 90 H LYS 90 8.505 3.728 -12.211 694 HA LYS 90 HA LYS 90 8.106 6.596 -12.533 695 1HB LYS 90 2HB LYS 90 7.674 4.947 -14.386 696 2HB LYS 90 1HB LYS 90 6.318 4.343 -13.446 697 1HG LYS 90 2HG LYS 90 5.250 6.528 -13.554 698 2HG LYS 90 1HG LYS 90 6.623 7.161 -14.463 699 1HD LYS 90 2HD LYS 90 5.039 4.794 -15.419 700 2HD LYS 90 1HD LYS 90 4.556 6.450 -15.789 701 1HE LYS 90 2HE LYS 90 5.909 6.309 -17.556 702 2HE LYS 90 1HE LYS 90 7.246 6.406 -16.412 703 1HZ LYS 90 1HZ LYS 90 7.193 4.475 -18.069 704 2HZ LYS 90 2HZ LYS 90 6.007 3.809 -17.064 705 3HZ LYS 90 3HZ LYS 90 7.552 4.125 -16.453 706 H ALA 91 H ALA 91 8.058 5.673 -9.877 707 HA ALA 91 HA ALA 91 5.596 6.759 -8.989 708 1HB ALA 91 1HB ALA 91 4.838 4.687 -7.762 709 2HB ALA 91 2HB ALA 91 5.948 3.779 -8.788 710 3HB ALA 91 3HB ALA 91 4.610 4.671 -9.511 711 H ILE 92 H ILE 92 8.419 4.787 -8.218 712 HA ILE 92 HA ILE 92 8.412 5.448 -5.440 713 HB ILE 92 HB ILE 92 10.418 4.239 -5.240 714 1HG1 ILE 92 2HG1 ILE 92 10.777 4.547 -8.233 715 2HG1 ILE 92 1HG1 ILE 92 11.725 5.351 -6.987 716 1HG2 ILE 92 1HG2 ILE 92 9.929 2.305 -7.061 717 2HG2 ILE 92 2HG2 ILE 92 8.397 3.174 -7.099 718 3HG2 ILE 92 3HG2 ILE 92 9.001 2.522 -5.578 719 1HD1 ILE 92 1HD1 ILE 92 13.074 3.600 -6.759 720 2HD1 ILE 92 2HD1 ILE 92 12.352 2.990 -8.249 721 3HD1 ILE 92 3HD1 ILE 92 11.724 2.467 -6.685 722 H LYS 93 H LYS 93 9.808 6.838 -8.313 723 HA LYS 93 HA LYS 93 11.720 8.492 -7.018 724 1HB LYS 93 2HB LYS 93 10.879 7.961 -9.691 725 2HB LYS 93 1HB LYS 93 10.844 9.701 -9.448 726 1HG LYS 93 2HG LYS 93 13.239 8.990 -8.320 727 2HG LYS 93 1HG LYS 93 13.109 7.887 -9.690 728 1HD LYS 93 2HD LYS 93 13.979 9.603 -10.857 729 2HD LYS 93 1HD LYS 93 12.327 10.223 -10.828 730 1HE LYS 93 2HE LYS 93 12.789 11.711 -9.088 731 2HE LYS 93 1HE LYS 93 14.256 10.850 -8.622 732 1HZ LYS 93 1HZ LYS 93 15.466 11.830 -10.259 733 2HZ LYS 93 2HZ LYS 93 14.345 13.071 -9.994 734 3HZ LYS 93 3HZ LYS 93 14.147 12.017 -11.303 735 H LYS 94 H LYS 94 8.314 8.780 -7.701 736 HA LYS 94 HA LYS 94 8.042 11.563 -7.379 737 1HB LYS 94 2HB LYS 94 6.142 9.261 -7.094 738 2HB LYS 94 1HB LYS 94 5.636 10.907 -6.744 739 1HG LYS 94 2HG LYS 94 5.055 10.923 -8.907 740 2HG LYS 94 1HG LYS 94 6.769 11.250 -9.168 741 1HD LYS 94 2HD LYS 94 6.884 8.594 -9.098 742 2HD LYS 94 1HD LYS 94 5.210 8.765 -9.629 743 1HE LYS 94 2HE LYS 94 6.542 8.611 -11.588 744 2HE LYS 94 1HE LYS 94 6.050 10.296 -11.437 745 1HZ LYS 94 1HZ LYS 94 8.430 9.947 -12.021 746 2HZ LYS 94 2HZ LYS 94 8.666 9.268 -10.490 747 3HZ LYS 94 3HZ LYS 94 8.187 10.884 -10.632 748 H GLY 95 H GLY 95 8.632 9.058 -5.107 749 1HA GLY 95 2HA GLY 95 9.436 10.207 -2.951 750 2HA GLY 95 1HA GLY 95 7.782 10.791 -2.883 751 H ALA 96 H ALA 96 7.521 7.800 -4.206 752 HA ALA 96 HA ALA 96 6.289 6.646 -1.994 753 1HB ALA 96 1HB ALA 96 5.772 4.976 -3.398 754 2HB ALA 96 2HB ALA 96 7.455 4.710 -3.854 755 3HB ALA 96 3HB ALA 96 6.523 5.988 -4.633 756 H TYR 97 H TYR 97 7.235 4.112 -1.634 757 HA TYR 97 HA TYR 97 9.795 4.601 -0.271 758 1HB TYR 97 2HB TYR 97 7.598 3.983 0.998 759 2HB TYR 97 1HB TYR 97 7.963 2.350 0.451 760 HD1 TYR 97 1HD TYR 97 9.130 1.022 1.918 761 HD2 TYR 97 2HD TYR 97 9.766 5.226 2.015 762 HE1 TYR 97 1HE TYR 97 10.682 0.737 3.805 763 HE2 TYR 97 2HE TYR 97 11.321 4.954 3.902 764 HH TYR 97 HH TYR 97 12.485 1.876 4.896 765 H GLU 98 H GLU 98 9.407 3.747 -3.043 766 HA GLU 98 HA GLU 98 10.630 2.463 -4.482 767 1HB GLU 98 2HB GLU 98 12.451 1.322 -3.775 768 2HB GLU 98 1HB GLU 98 12.121 2.169 -2.277 769 1HG GLU 98 2HG GLU 98 10.633 -0.029 -1.876 770 2HG GLU 98 1HG GLU 98 11.869 -0.696 -2.939 771 H PHE 99 H PHE 99 10.471 0.408 -5.545 772 HA PHE 99 HA PHE 99 7.893 -0.838 -5.050 773 1HB PHE 99 2HB PHE 99 9.576 -0.363 -7.332 774 2HB PHE 99 1HB PHE 99 9.182 -2.074 -7.239 775 HD1 PHE 99 1HD PHE 99 7.471 -2.626 -8.650 776 HD2 PHE 99 2HD PHE 99 7.299 1.082 -6.569 777 HE1 PHE 99 1HE PHE 99 5.277 -2.165 -9.663 778 HE2 PHE 99 2HE PHE 99 5.105 1.548 -7.579 779 HZ PHE 99 HZ PHE 99 4.090 -0.077 -9.125 780 H LEU 100 H LEU 100 7.840 -2.452 -3.622 781 HA LEU 100 HA LEU 100 10.061 -3.989 -2.838 782 1HB LEU 100 2HB LEU 100 7.812 -3.547 -1.643 783 2HB LEU 100 1HB LEU 100 7.216 -4.907 -2.574 784 HG LEU 100 HG LEU 100 8.647 -6.430 -1.471 785 1HD1 LEU 100 1HD1 LEU 100 10.750 -5.557 -1.288 786 2HD1 LEU 100 2HD1 LEU 100 10.203 -5.366 0.378 787 3HD1 LEU 100 3HD1 LEU 100 10.170 -3.989 -0.724 788 1HD2 LEU 100 1HD2 LEU 100 7.669 -4.436 0.563 789 2HD2 LEU 100 2HD2 LEU 100 8.068 -6.125 0.874 790 3HD2 LEU 100 3HD2 LEU 100 6.708 -5.719 -0.173 791 H GLU 101 H GLU 101 10.579 -6.166 -3.245 792 HA GLU 101 HA GLU 101 9.723 -7.090 -5.890 793 1HB GLU 101 2HB GLU 101 12.105 -7.796 -4.176 794 2HB GLU 101 1HB GLU 101 11.713 -8.630 -5.674 795 1HG GLU 101 2HG GLU 101 12.527 -6.985 -6.942 796 2HG GLU 101 1HG GLU 101 11.808 -5.725 -5.938 797 H LYS 102 H LYS 102 9.602 -9.511 -6.161 798 HA LYS 102 HA LYS 102 8.586 -11.490 -5.704 799 1HB LYS 102 2HB LYS 102 9.947 -10.758 -3.223 800 2HB LYS 102 1HB LYS 102 8.561 -11.806 -2.959 801 1HG LYS 102 2HG LYS 102 9.937 -13.494 -3.393 802 2HG LYS 102 1HG LYS 102 9.840 -12.996 -5.082 803 1HD LYS 102 2HD LYS 102 11.812 -11.602 -4.809 804 2HD LYS 102 1HD LYS 102 11.889 -12.017 -3.095 805 1HE LYS 102 2HE LYS 102 12.375 -13.787 -5.474 806 2HE LYS 102 1HE LYS 102 13.477 -13.398 -4.154 807 1HZ LYS 102 1HZ LYS 102 11.213 -15.266 -4.191 808 2HZ LYS 102 2HZ LYS 102 11.644 -14.533 -2.728 809 3HZ LYS 102 3HZ LYS 102 12.769 -15.479 -3.565 810 HA PRO 103 HA PRO 103 4.682 -9.287 -4.570 811 1HB PRO 103 2HB PRO 103 3.294 -9.976 -6.778 812 2HB PRO 103 1HB PRO 103 4.399 -8.596 -6.749 813 1HG PRO 103 2HG PRO 103 4.851 -11.362 -7.803 814 2HG PRO 103 1HG PRO 103 5.297 -9.804 -8.524 815 1HD PRO 103 2HD PRO 103 7.062 -11.372 -7.169 816 2HD PRO 103 1HD PRO 103 7.183 -9.603 -7.225 817 H PHE 104 H PHE 104 5.670 -12.463 -4.965 818 HA PHE 104 HA PHE 104 3.122 -13.754 -4.701 819 1HB PHE 104 2HB PHE 104 5.935 -14.799 -4.318 820 2HB PHE 104 1HB PHE 104 4.486 -15.799 -4.299 821 HD1 PHE 104 1HD PHE 104 6.978 -14.221 -6.330 822 HD2 PHE 104 2HD PHE 104 3.073 -15.915 -6.383 823 HE1 PHE 104 1HE PHE 104 7.121 -14.467 -8.774 824 HE2 PHE 104 2HE PHE 104 3.211 -16.164 -8.827 825 HZ PHE 104 HZ PHE 104 5.236 -15.439 -10.026 826 H SER 105 H SER 105 5.931 -13.496 -2.516 827 HA SER 105 HA SER 105 4.072 -13.772 -0.249 828 1HB SER 105 2HB SER 105 5.730 -15.601 -0.454 829 2HB SER 105 1HB SER 105 7.027 -14.414 -0.320 830 HG SER 105 HG SER 105 6.016 -13.844 1.749 831 H VAL 106 H VAL 106 3.942 -12.166 1.202 832 HA VAL 106 HA VAL 106 5.622 -9.812 0.774 833 HB VAL 106 HB VAL 106 3.998 -8.603 2.141 834 1HG1 VAL 106 1HG1 VAL 106 2.325 -10.193 0.252 835 2HG1 VAL 106 2HG1 VAL 106 3.667 -9.233 -0.370 836 3HG1 VAL 106 3HG1 VAL 106 2.366 -8.452 0.528 837 1HG2 VAL 106 1HG2 VAL 106 1.936 -10.601 2.293 838 2HG2 VAL 106 2HG2 VAL 106 2.624 -9.599 3.571 839 3HG2 VAL 106 3HG2 VAL 106 3.380 -11.135 3.154 840 H GLU 107 H GLU 107 6.836 -12.056 2.030 841 HA GLU 107 HA GLU 107 6.871 -11.840 4.843 842 1HB GLU 107 2HB GLU 107 7.828 -13.661 3.170 843 2HB GLU 107 1HB GLU 107 9.304 -12.731 3.386 844 1HG GLU 107 2HG GLU 107 8.870 -12.990 5.895 845 2HG GLU 107 1HG GLU 107 7.729 -14.250 5.425 846 H ARG 108 H ARG 108 9.192 -10.684 2.394 847 HA ARG 108 HA ARG 108 10.792 -9.205 4.171 848 1HB ARG 108 2HB ARG 108 11.450 -9.842 1.852 849 2HB ARG 108 1HB ARG 108 10.308 -8.657 1.234 850 1HG ARG 108 2HG ARG 108 12.443 -7.653 1.156 851 2HG ARG 108 1HG ARG 108 11.586 -6.911 2.508 852 1HD ARG 108 2HD ARG 108 13.004 -7.760 4.037 853 2HD ARG 108 1HD ARG 108 13.147 -9.303 3.194 854 HE ARG 108 HE ARG 108 14.537 -7.611 1.612 855 1HH1 ARG 108 1HH1 ARG 108 14.651 -8.303 5.031 856 2HH1 ARG 108 2HH1 ARG 108 16.341 -7.952 5.172 857 1HH2 ARG 108 1HH2 ARG 108 16.759 -7.150 1.797 858 2HH2 ARG 108 2HH2 ARG 108 17.538 -7.297 3.337 859 H PHE 109 H PHE 109 7.805 -8.506 2.519 860 HA PHE 109 HA PHE 109 7.706 -5.726 2.762 861 1HB PHE 109 2HB PHE 109 6.043 -6.722 1.417 862 2HB PHE 109 1HB PHE 109 5.602 -7.875 2.665 863 HD1 PHE 109 1HD PHE 109 5.593 -4.213 1.999 864 HD2 PHE 109 2HD PHE 109 3.694 -7.508 3.911 865 HE1 PHE 109 1HE PHE 109 3.753 -2.739 2.701 866 HE2 PHE 109 2HE PHE 109 1.851 -6.039 4.615 867 HZ PHE 109 HZ PHE 109 1.877 -3.652 4.010 868 H LEU 110 H LEU 110 6.896 -8.301 5.024 869 HA LEU 110 HA LEU 110 5.712 -6.764 7.038 870 1HB LEU 110 2HB LEU 110 6.647 -9.436 6.698 871 2HB LEU 110 1HB LEU 110 7.136 -8.838 8.273 872 HG LEU 110 HG LEU 110 4.304 -8.806 7.234 873 1HD1 LEU 110 1HD1 LEU 110 4.099 -10.556 9.124 874 2HD1 LEU 110 2HD1 LEU 110 5.835 -10.764 8.888 875 3HD1 LEU 110 3HD1 LEU 110 4.723 -11.053 7.550 876 1HD2 LEU 110 1HD2 LEU 110 4.459 -7.096 8.814 877 2HD2 LEU 110 2HD2 LEU 110 5.587 -8.001 9.822 878 3HD2 LEU 110 3HD2 LEU 110 3.893 -8.481 9.748 879 H LEU 111 H LEU 111 9.087 -7.820 6.683 880 HA LEU 111 HA LEU 111 10.112 -6.627 8.976 881 1HB LEU 111 2HB LEU 111 11.375 -7.271 6.330 882 2HB LEU 111 1HB LEU 111 12.294 -6.613 7.670 883 HG LEU 111 HG LEU 111 10.697 -8.984 8.350 884 1HD1 LEU 111 1HD1 LEU 111 11.379 -9.556 6.060 885 2HD1 LEU 111 2HD1 LEU 111 12.169 -10.569 7.267 886 3HD1 LEU 111 3HD1 LEU 111 13.060 -9.254 6.500 887 1HD2 LEU 111 1HD2 LEU 111 12.120 -8.449 10.042 888 2HD2 LEU 111 2HD2 LEU 111 13.345 -7.794 8.956 889 3HD2 LEU 111 3HD2 LEU 111 13.170 -9.540 9.139 890 H THR 112 H THR 112 9.858 -5.298 5.686 891 HA THR 112 HA THR 112 11.084 -2.820 6.328 892 HB THR 112 HB THR 112 9.177 -3.444 4.066 893 HG1 THR 112 1HG THR 112 10.875 -4.193 2.973 894 1HG2 THR 112 1HG2 THR 112 10.850 -1.736 2.967 895 2HG2 THR 112 2HG2 THR 112 10.985 -1.166 4.630 896 3HG2 THR 112 3HG2 THR 112 9.412 -1.199 3.834 897 H ILE 113 H ILE 113 7.714 -3.860 6.038 898 HA ILE 113 HA ILE 113 6.284 -1.589 6.261 899 HB ILE 113 HB ILE 113 5.882 -4.328 7.318 900 1HG1 ILE 113 2HG1 ILE 113 5.268 -3.712 5.027 901 2HG1 ILE 113 1HG1 ILE 113 3.846 -4.174 5.958 902 1HG2 ILE 113 1HG2 ILE 113 4.367 -1.955 8.338 903 2HG2 ILE 113 2HG2 ILE 113 5.037 -3.318 9.234 904 3HG2 ILE 113 3HG2 ILE 113 3.610 -3.544 8.224 905 1HD1 ILE 113 1HD1 ILE 113 3.973 -1.459 6.332 906 2HD1 ILE 113 2HD1 ILE 113 2.938 -2.303 5.181 907 3HD1 ILE 113 3HD1 ILE 113 4.496 -1.662 4.660 908 H LYS 114 H LYS 114 7.626 -3.316 9.077 909 HA LYS 114 HA LYS 114 6.762 -1.719 11.114 910 1HB LYS 114 2HB LYS 114 8.122 -3.794 11.355 911 2HB LYS 114 1HB LYS 114 9.546 -2.869 10.902 912 1HG LYS 114 2HG LYS 114 7.909 -1.878 13.171 913 2HG LYS 114 1HG LYS 114 8.903 -3.314 13.425 914 1HD LYS 114 2HD LYS 114 9.872 -0.628 12.441 915 2HD LYS 114 1HD LYS 114 10.111 -1.291 14.058 916 1HE LYS 114 2HE LYS 114 11.023 -3.226 12.205 917 2HE LYS 114 1HE LYS 114 11.687 -1.670 11.709 918 1HZ LYS 114 1HZ LYS 114 12.752 -1.398 13.757 919 2HZ LYS 114 2HZ LYS 114 13.021 -3.021 13.364 920 3HZ LYS 114 3HZ LYS 114 11.846 -2.611 14.509 921 H HIS 115 H HIS 115 9.770 -1.276 9.266 922 HA HIS 115 HA HIS 115 10.528 1.136 10.482 923 1HB HIS 115 2HB HIS 115 11.976 -0.363 9.067 924 2HB HIS 115 1HB HIS 115 11.170 0.308 7.654 925 HD1 HIS 115 1HD HIS 115 11.238 3.194 7.899 926 HD2 HIS 115 2HD HIS 115 14.338 0.876 9.411 927 HE1 HIS 115 1HE HIS 115 13.212 4.741 8.070 928 HE2 HIS 115 2HE HIS 115 15.054 3.337 9.062 929 H ALA 116 H ALA 116 8.446 0.463 7.721 930 HA ALA 116 HA ALA 116 8.253 3.060 6.691 931 1HB ALA 116 1HB ALA 116 5.945 2.216 5.898 932 2HB ALA 116 2HB ALA 116 6.442 0.677 6.602 933 3HB ALA 116 3HB ALA 116 7.395 1.403 5.308 934 H PHE 117 H PHE 117 6.467 1.451 9.276 935 HA PHE 117 HA PHE 117 4.543 3.473 9.683 936 1HB PHE 117 2HB PHE 117 5.553 1.149 11.253 937 2HB PHE 117 1HB PHE 117 4.593 2.363 12.092 938 HD1 PHE 117 1HD PHE 117 2.258 2.653 11.610 939 HD2 PHE 117 2HD PHE 117 4.576 -0.231 9.510 940 HE1 PHE 117 1HE PHE 117 0.195 1.609 10.776 941 HE2 PHE 117 2HE PHE 117 2.517 -1.279 8.669 942 HZ PHE 117 HZ PHE 117 0.320 -0.359 9.304 943 H GLU 118 H GLU 118 7.876 3.298 10.478 944 HA GLU 118 HA GLU 118 8.097 4.781 12.788 945 1HB GLU 118 2HB GLU 118 9.908 3.673 11.311 946 2HB GLU 118 1HB GLU 118 9.970 5.230 10.496 947 1HG GLU 118 2HG GLU 118 10.099 5.858 13.192 948 2HG GLU 118 1HG GLU 118 11.099 4.417 13.025 949 H GLU 119 H GLU 119 7.153 5.837 9.627 950 HA GLU 119 HA GLU 119 7.669 8.617 10.047 951 1HB GLU 119 2HB GLU 119 5.864 7.262 8.040 952 2HB GLU 119 1HB GLU 119 6.353 8.950 7.996 953 1HG GLU 119 2HG GLU 119 8.656 7.239 8.165 954 2HG GLU 119 1HG GLU 119 7.631 6.774 6.809 955 H TYR 120 H TYR 120 5.401 6.575 11.368 956 HA TYR 120 HA TYR 120 3.907 8.757 12.465 957 1HB TYR 120 2HB TYR 120 2.926 8.027 10.085 958 2HB TYR 120 1HB TYR 120 2.128 6.814 11.081 959 HD1 TYR 120 1HD TYR 120 0.215 7.363 12.330 960 HD2 TYR 120 2HD TYR 120 2.604 10.477 10.689 961 HE1 TYR 120 1HE TYR 120 -1.507 9.005 12.952 962 HE2 TYR 120 2HE TYR 120 0.890 12.128 11.307 963 HH TYR 120 HH TYR 120 -1.475 12.228 11.806 964 H SER 121 H SER 121 5.278 7.305 14.024 965 HA SER 121 HA SER 121 4.351 4.786 14.814 966 1HB SER 121 2HB SER 121 6.378 6.530 15.615 967 2HB SER 121 1HB SER 121 5.369 6.341 17.050 968 HG SER 121 HG SER 121 6.217 4.446 17.282 Start of MODEL 24 1 1H MET 1 1HT MET 1 -3.364 2.602 17.621 2 2H MET 1 2HT MET 1 -2.817 0.985 17.800 3 3H MET 1 3HT MET 1 -3.840 1.407 16.487 4 HA MET 1 HA MET 1 -2.084 2.948 15.743 5 1HB MET 1 2HB MET 1 -0.731 1.531 18.019 6 2HB MET 1 1HB MET 1 0.214 2.130 16.663 7 1HG MET 1 2HG MET 1 -1.675 3.926 18.130 8 2HG MET 1 1HG MET 1 -0.054 3.608 18.747 9 1HE MET 1 1HE MET 1 0.288 6.236 18.699 10 2HE MET 1 2HE MET 1 1.334 6.768 17.383 11 3HE MET 1 3HE MET 1 1.746 5.325 18.308 12 H LYS 2 H LYS 2 -0.088 1.962 14.520 13 HA LYS 2 HA LYS 2 0.628 0.517 12.917 14 1HB LYS 2 2HB LYS 2 -0.563 -1.567 14.753 15 2HB LYS 2 1HB LYS 2 0.554 -1.884 13.433 16 1HG LYS 2 2HG LYS 2 1.131 -0.310 15.933 17 2HG LYS 2 1HG LYS 2 1.733 -1.919 15.530 18 1HD LYS 2 2HD LYS 2 2.605 -0.636 13.376 19 2HD LYS 2 1HD LYS 2 2.547 0.739 14.480 20 1HE LYS 2 2HE LYS 2 4.579 0.087 15.143 21 2HE LYS 2 1HE LYS 2 3.746 -1.209 15.999 22 1HZ LYS 2 1HZ LYS 2 4.183 -2.713 14.279 23 2HZ LYS 2 2HZ LYS 2 5.636 -1.869 14.477 24 3HZ LYS 2 3HZ LYS 2 4.611 -1.495 13.184 25 H ARG 3 H ARG 3 -0.802 1.309 11.336 26 HA ARG 3 HA ARG 3 -2.853 -0.625 10.562 27 1HB ARG 3 2HB ARG 3 -3.459 2.317 10.407 28 2HB ARG 3 1HB ARG 3 -4.569 0.959 10.280 29 1HG ARG 3 2HG ARG 3 -5.076 1.616 12.382 30 2HG ARG 3 1HG ARG 3 -3.728 0.544 12.766 31 1HD ARG 3 2HD ARG 3 -2.365 2.249 13.357 32 2HD ARG 3 1HD ARG 3 -3.018 3.334 12.130 33 HE ARG 3 HE ARG 3 -4.895 2.848 14.218 34 1HH1 ARG 3 1HH1 ARG 3 -2.048 4.694 13.398 35 2HH1 ARG 3 2HH1 ARG 3 -2.406 5.975 14.507 36 1HH2 ARG 3 1HH2 ARG 3 -5.368 4.532 15.677 37 2HH2 ARG 3 2HH2 ARG 3 -4.290 5.882 15.801 38 H VAL 4 H VAL 4 -2.406 -1.241 8.563 39 HA VAL 4 HA VAL 4 -1.230 0.724 6.705 40 HB VAL 4 HB VAL 4 -0.860 -2.265 6.542 41 1HG1 VAL 4 1HG1 VAL 4 1.208 -1.339 5.224 42 2HG1 VAL 4 2HG1 VAL 4 0.202 0.098 5.065 43 3HG1 VAL 4 3HG1 VAL 4 -0.371 -1.448 4.446 44 1HG2 VAL 4 1HG2 VAL 4 1.172 -0.307 7.588 45 2HG2 VAL 4 2HG2 VAL 4 1.251 -2.068 7.607 46 3HG2 VAL 4 3HG2 VAL 4 0.101 -1.225 8.647 47 H LEU 5 H LEU 5 -1.745 0.355 4.408 48 HA LEU 5 HA LEU 5 -4.447 -0.772 4.086 49 1HB LEU 5 2HB LEU 5 -4.294 1.690 3.826 50 2HB LEU 5 1HB LEU 5 -3.162 1.457 2.508 51 HG LEU 5 HG LEU 5 -4.938 0.239 1.258 52 1HD1 LEU 5 1HD1 LEU 5 -7.302 0.782 2.153 53 2HD1 LEU 5 2HD1 LEU 5 -6.492 0.938 3.713 54 3HD1 LEU 5 3HD1 LEU 5 -6.419 -0.587 2.830 55 1HD2 LEU 5 1HD2 LEU 5 -6.446 2.421 1.127 56 2HD2 LEU 5 2HD2 LEU 5 -4.814 2.365 0.460 57 3HD2 LEU 5 3HD2 LEU 5 -5.096 3.094 2.040 58 H VAL 6 H VAL 6 -4.776 -2.291 2.565 59 HA VAL 6 HA VAL 6 -2.495 -2.959 0.815 60 HB VAL 6 HB VAL 6 -4.667 -4.845 1.729 61 1HG1 VAL 6 1HG1 VAL 6 -3.677 -5.525 -0.356 62 2HG1 VAL 6 2HG1 VAL 6 -3.081 -6.576 0.929 63 3HG1 VAL 6 3HG1 VAL 6 -2.054 -5.292 0.292 64 1HG2 VAL 6 1HG2 VAL 6 -3.243 -5.676 3.392 65 2HG2 VAL 6 2HG2 VAL 6 -3.103 -3.923 3.534 66 3HG2 VAL 6 3HG2 VAL 6 -1.836 -4.846 2.726 67 H VAL 7 H VAL 7 -3.111 -1.669 -0.931 68 HA VAL 7 HA VAL 7 -5.754 -1.915 -2.072 69 HB VAL 7 HB VAL 7 -3.329 -0.548 -3.250 70 1HG1 VAL 7 1HG1 VAL 7 -5.158 -1.031 -4.833 71 2HG1 VAL 7 2HG1 VAL 7 -4.922 0.698 -4.577 72 3HG1 VAL 7 3HG1 VAL 7 -6.266 -0.134 -3.795 73 1HG2 VAL 7 1HG2 VAL 7 -5.518 0.633 -1.542 74 2HG2 VAL 7 2HG2 VAL 7 -4.180 1.511 -2.285 75 3HG2 VAL 7 3HG2 VAL 7 -3.863 0.328 -1.016 76 H ASP 8 H ASP 8 -6.282 -3.682 -3.185 77 HA ASP 8 HA ASP 8 -4.516 -4.588 -5.315 78 1HB ASP 8 2HB ASP 8 -3.833 -5.979 -3.439 79 2HB ASP 8 1HB ASP 8 -5.506 -6.424 -3.123 80 H ASP 9 H ASP 9 -5.587 -5.332 -7.068 81 HA ASP 9 HA ASP 9 -8.320 -4.788 -7.371 82 1HB ASP 9 2HB ASP 9 -6.866 -4.754 -9.287 83 2HB ASP 9 1HB ASP 9 -6.433 -6.443 -9.055 84 H GLU 10 H GLU 10 -7.026 -8.026 -8.021 85 HA GLU 10 HA GLU 10 -9.492 -9.190 -7.043 86 1HB GLU 10 2HB GLU 10 -8.068 -9.877 -9.140 87 2HB GLU 10 1HB GLU 10 -7.161 -10.822 -7.968 88 1HG GLU 10 2HG GLU 10 -8.680 -12.420 -8.054 89 2HG GLU 10 1HG GLU 10 -9.925 -11.289 -7.531 90 H GLU 11 H GLU 11 -9.421 -11.111 -5.611 91 HA GLU 11 HA GLU 11 -7.808 -10.516 -3.283 92 1HB GLU 11 2HB GLU 11 -9.753 -12.800 -3.578 93 2HB GLU 11 1HB GLU 11 -9.221 -12.012 -2.098 94 1HG GLU 11 2HG GLU 11 -10.431 -10.006 -2.689 95 2HG GLU 11 1HG GLU 11 -10.893 -10.712 -4.238 96 H SER 12 H SER 12 -5.753 -11.070 -4.273 97 HA SER 12 HA SER 12 -5.304 -13.972 -4.489 98 1HB SER 12 2HB SER 12 -4.725 -12.796 -6.534 99 2HB SER 12 1HB SER 12 -3.713 -11.666 -5.635 100 HG SER 12 HG SER 12 -2.196 -13.056 -6.070 101 H ILE 13 H ILE 13 -4.193 -11.001 -2.990 102 HA ILE 13 HA ILE 13 -2.404 -12.587 -1.269 103 HB ILE 13 HB ILE 13 -2.223 -9.681 -2.067 104 1HG1 ILE 13 2HG1 ILE 13 -0.001 -10.384 -2.931 105 2HG1 ILE 13 1HG1 ILE 13 -0.380 -12.044 -2.487 106 1HG2 ILE 13 1HG2 ILE 13 -0.815 -11.197 0.101 107 2HG2 ILE 13 2HG2 ILE 13 -1.579 -9.609 0.170 108 3HG2 ILE 13 3HG2 ILE 13 -0.053 -9.816 -0.688 109 1HD1 ILE 13 1HD1 ILE 13 -0.763 -11.039 -4.933 110 2HD1 ILE 13 2HD1 ILE 13 -2.337 -10.690 -4.220 111 3HD1 ILE 13 3HD1 ILE 13 -1.733 -12.346 -4.257 112 H THR 14 H THR 14 -4.884 -10.098 -1.368 113 HA THR 14 HA THR 14 -4.975 -9.216 1.220 114 HB THR 14 HB THR 14 -7.385 -8.841 0.883 115 HG1 THR 14 1HG THR 14 -8.241 -10.470 -0.180 116 1HG2 THR 14 1HG2 THR 14 -5.411 -8.114 -1.169 117 2HG2 THR 14 2HG2 THR 14 -6.487 -7.099 -0.208 118 3HG2 THR 14 3HG2 THR 14 -7.104 -7.941 -1.629 119 H SER 15 H SER 15 -5.867 -12.364 0.026 120 HA SER 15 HA SER 15 -7.286 -13.127 2.413 121 1HB SER 15 2HB SER 15 -7.938 -14.142 0.309 122 2HB SER 15 1HB SER 15 -6.303 -14.752 0.057 123 HG SER 15 HG SER 15 -6.586 -16.063 1.901 124 H SER 16 H SER 16 -4.211 -14.132 0.910 125 HA SER 16 HA SER 16 -3.373 -15.660 3.155 126 1HB SER 16 2HB SER 16 -1.629 -14.493 0.975 127 2HB SER 16 1HB SER 16 -1.259 -15.876 2.006 128 HG SER 16 HG SER 16 -3.314 -15.705 0.054 129 H LEU 17 H LEU 17 -2.009 -12.635 1.844 130 HA LEU 17 HA LEU 17 -0.290 -11.961 3.844 131 1HB LEU 17 2HB LEU 17 -0.263 -10.591 1.962 132 2HB LEU 17 1HB LEU 17 -1.991 -10.315 2.012 133 HG LEU 17 HG LEU 17 -0.377 -8.381 2.618 134 1HD1 LEU 17 1HD1 LEU 17 -2.166 -7.365 3.497 135 2HD1 LEU 17 2HD1 LEU 17 -2.354 -8.571 4.770 136 3HD1 LEU 17 3HD1 LEU 17 -2.993 -8.885 3.157 137 1HD2 LEU 17 1HD2 LEU 17 0.723 -8.389 4.579 138 2HD2 LEU 17 2HD2 LEU 17 0.590 -10.142 4.437 139 3HD2 LEU 17 3HD2 LEU 17 -0.569 -9.247 5.413 140 H SER 18 H SER 18 -3.771 -11.228 3.768 141 HA SER 18 HA SER 18 -4.049 -9.669 5.975 142 1HB SER 18 2HB SER 18 -6.031 -10.094 4.812 143 2HB SER 18 1HB SER 18 -5.804 -11.842 4.866 144 HG SER 18 HG SER 18 -6.749 -10.101 6.851 145 H ALA 19 H ALA 19 -3.527 -13.158 5.942 146 HA ALA 19 HA ALA 19 -3.935 -13.561 8.725 147 1HB ALA 19 1HB ALA 19 -4.046 -15.560 7.640 148 2HB ALA 19 2HB ALA 19 -2.353 -15.613 8.132 149 3HB ALA 19 3HB ALA 19 -2.780 -15.133 6.490 150 H ILE 20 H ILE 20 -1.158 -12.797 6.734 151 HA ILE 20 HA ILE 20 0.827 -13.058 8.742 152 HB ILE 20 HB ILE 20 0.775 -11.574 6.120 153 1HG1 ILE 20 2HG1 ILE 20 2.659 -13.573 6.017 154 2HG1 ILE 20 1HG1 ILE 20 1.372 -14.286 6.980 155 1HG2 ILE 20 1HG2 ILE 20 3.402 -11.810 6.626 156 2HG2 ILE 20 2HG2 ILE 20 2.796 -11.553 8.262 157 3HG2 ILE 20 3HG2 ILE 20 2.462 -10.365 7.002 158 1HD1 ILE 20 1HD1 ILE 20 1.201 -13.194 4.193 159 2HD1 ILE 20 2HD1 ILE 20 -0.216 -13.586 5.165 160 3HD1 ILE 20 3HD1 ILE 20 0.934 -14.851 4.735 161 H LEU 21 H LEU 21 -0.257 -10.066 7.155 162 HA LEU 21 HA LEU 21 0.773 -8.250 8.948 163 1HB LEU 21 2HB LEU 21 -0.209 -6.764 7.610 164 2HB LEU 21 1HB LEU 21 -0.718 -8.135 6.667 165 HG LEU 21 HG LEU 21 -2.546 -6.627 7.012 166 1HD1 LEU 21 1HD1 LEU 21 -2.528 -9.346 7.484 167 2HD1 LEU 21 2HD1 LEU 21 -3.943 -8.343 7.167 168 3HD1 LEU 21 3HD1 LEU 21 -3.464 -8.686 8.825 169 1HD2 LEU 21 1HD2 LEU 21 -2.898 -7.061 9.845 170 2HD2 LEU 21 2HD2 LEU 21 -2.877 -5.553 8.928 171 3HD2 LEU 21 3HD2 LEU 21 -1.368 -6.261 9.494 172 H GLU 22 H GLU 22 -2.005 -10.305 9.329 173 HA GLU 22 HA GLU 22 -3.133 -8.868 11.528 174 1HB GLU 22 2HB GLU 22 -3.616 -11.481 10.221 175 2HB GLU 22 1HB GLU 22 -4.159 -11.301 11.883 176 1HG GLU 22 2HG GLU 22 -5.402 -9.261 11.182 177 2HG GLU 22 1HG GLU 22 -4.978 -9.640 9.514 178 H GLU 23 H GLU 23 -0.670 -11.309 11.167 179 HA GLU 23 HA GLU 23 -0.642 -12.021 13.954 180 1HB GLU 23 2HB GLU 23 0.020 -13.745 12.482 181 2HB GLU 23 1HB GLU 23 1.100 -12.683 11.590 182 1HG GLU 23 2HG GLU 23 2.807 -13.117 12.937 183 2HG GLU 23 1HG GLU 23 1.827 -12.894 14.386 184 H GLU 24 H GLU 24 1.159 -9.900 11.802 185 HA GLU 24 HA GLU 24 3.246 -9.264 13.576 186 1HB GLU 24 2HB GLU 24 2.132 -8.048 11.109 187 2HB GLU 24 1HB GLU 24 3.188 -7.061 12.108 188 1HG GLU 24 2HG GLU 24 4.342 -8.255 10.265 189 2HG GLU 24 1HG GLU 24 4.987 -8.594 11.870 190 H GLY 25 H GLY 25 -0.052 -8.379 13.583 191 1HA GLY 25 2HA GLY 25 -1.158 -7.263 15.312 192 2HA GLY 25 1HA GLY 25 0.393 -6.683 15.898 193 H TYR 26 H TYR 26 -1.712 -6.338 13.046 194 HA TYR 26 HA TYR 26 -1.346 -3.430 13.221 195 1HB TYR 26 2HB TYR 26 -0.923 -5.159 10.790 196 2HB TYR 26 1HB TYR 26 -1.236 -3.435 10.669 197 HD1 TYR 26 1HD TYR 26 0.568 -2.018 10.561 198 HD2 TYR 26 2HD TYR 26 1.057 -5.802 12.438 199 HE1 TYR 26 1HE TYR 26 2.963 -1.559 10.852 200 HE2 TYR 26 2HE TYR 26 3.455 -5.348 12.735 201 HH TYR 26 HH TYR 26 5.206 -3.745 11.401 202 H HIS 27 H HIS 27 -2.816 -2.489 11.287 203 HA HIS 27 HA HIS 27 -5.436 -3.823 11.421 204 1HB HIS 27 2HB HIS 27 -4.757 -1.375 12.641 205 2HB HIS 27 1HB HIS 27 -5.704 -0.952 11.218 206 HD1 HIS 27 1HD HIS 27 -7.532 -3.590 11.443 207 HD2 HIS 27 2HD HIS 27 -6.817 -0.773 14.413 208 HE1 HIS 27 1HE HIS 27 -9.480 -3.769 13.022 209 HE2 HIS 27 2HE HIS 27 -8.981 -2.117 14.858 210 HA PRO 28 HA PRO 28 -4.511 -2.974 7.044 211 1HB PRO 28 2HB PRO 28 -5.349 -5.323 6.056 212 2HB PRO 28 1HB PRO 28 -3.772 -5.135 6.829 213 1HG PRO 28 2HG PRO 28 -6.254 -6.376 7.875 214 2HG PRO 28 1HG PRO 28 -4.572 -6.795 8.192 215 1HD PRO 28 2HD PRO 28 -6.247 -5.291 9.863 216 2HD PRO 28 1HD PRO 28 -4.486 -5.437 10.002 217 H ASP 29 H ASP 29 -5.816 -1.958 5.714 218 HA ASP 29 HA ASP 29 -8.703 -2.396 6.012 219 1HB ASP 29 2HB ASP 29 -7.309 -0.035 6.238 220 2HB ASP 29 1HB ASP 29 -8.018 0.054 4.628 221 H THR 30 H THR 30 -6.446 -3.399 4.120 222 HA THR 30 HA THR 30 -6.185 -3.409 1.731 223 HB THR 30 HB THR 30 -7.016 -5.541 1.157 224 HG1 THR 30 1HG THR 30 -9.121 -5.584 1.575 225 1HG2 THR 30 1HG2 THR 30 -5.894 -6.690 2.685 226 2HG2 THR 30 2HG2 THR 30 -7.014 -6.234 3.968 227 3HG2 THR 30 3HG2 THR 30 -5.682 -5.161 3.537 228 H ALA 31 H ALA 31 -6.810 -2.410 -0.012 229 HA ALA 31 HA ALA 31 -9.653 -1.742 -0.344 230 1HB ALA 31 1HB ALA 31 -7.779 0.044 -0.278 231 2HB ALA 31 2HB ALA 31 -9.043 0.168 -1.502 232 3HB ALA 31 3HB ALA 31 -7.458 -0.475 -1.933 233 H LYS 32 H LYS 32 -9.820 -1.213 -2.983 234 HA LYS 32 HA LYS 32 -9.427 -3.853 -4.194 235 1HB LYS 32 2HB LYS 32 -11.720 -3.316 -4.164 236 2HB LYS 32 1HB LYS 32 -11.424 -1.646 -4.624 237 1HG LYS 32 2HG LYS 32 -10.798 -2.344 -6.844 238 2HG LYS 32 1HG LYS 32 -11.010 -4.033 -6.397 239 1HD LYS 32 2HD LYS 32 -13.388 -3.599 -5.949 240 2HD LYS 32 1HD LYS 32 -13.163 -1.919 -6.437 241 1HE LYS 32 2HE LYS 32 -12.124 -3.392 -8.547 242 2HE LYS 32 1HE LYS 32 -13.563 -4.287 -8.061 243 1HZ LYS 32 1HZ LYS 32 -14.568 -2.815 -9.407 244 2HZ LYS 32 2HZ LYS 32 -13.336 -1.662 -9.276 245 3HZ LYS 32 3HZ LYS 32 -14.500 -1.797 -8.057 246 H THR 33 H THR 33 -9.094 -0.388 -4.830 247 HA THR 33 HA THR 33 -6.794 -0.836 -6.477 248 HB THR 33 HB THR 33 -8.860 0.683 -7.965 249 HG1 THR 33 1HG THR 33 -9.876 -1.131 -8.706 250 1HG2 THR 33 1HG2 THR 33 -6.370 -0.228 -8.579 251 2HG2 THR 33 2HG2 THR 33 -7.605 0.238 -9.749 252 3HG2 THR 33 3HG2 THR 33 -7.405 -1.458 -9.306 253 H LEU 34 H LEU 34 -6.624 1.584 -7.768 254 HA LEU 34 HA LEU 34 -5.930 3.311 -5.637 255 1HB LEU 34 2HB LEU 34 -6.222 3.998 -8.561 256 2HB LEU 34 1HB LEU 34 -5.317 4.904 -7.362 257 HG LEU 34 HG LEU 34 -4.639 2.074 -8.151 258 1HD1 LEU 34 1HD1 LEU 34 -2.659 3.548 -9.216 259 2HD1 LEU 34 2HD1 LEU 34 -4.022 4.640 -9.458 260 3HD1 LEU 34 3HD1 LEU 34 -4.073 3.006 -10.120 261 1HD2 LEU 34 1HD2 LEU 34 -3.726 3.864 -6.102 262 2HD2 LEU 34 2HD2 LEU 34 -2.409 3.505 -7.220 263 3HD2 LEU 34 3HD2 LEU 34 -3.264 2.191 -6.412 264 H ARG 35 H ARG 35 -8.475 3.559 -8.128 265 HA ARG 35 HA ARG 35 -9.649 5.908 -7.178 266 1HB ARG 35 2HB ARG 35 -11.705 5.122 -8.356 267 2HB ARG 35 1HB ARG 35 -10.253 5.053 -9.345 268 1HG ARG 35 2HG ARG 35 -10.150 2.582 -8.517 269 2HG ARG 35 1HG ARG 35 -11.866 2.831 -8.188 270 1HD ARG 35 2HD ARG 35 -12.205 3.517 -10.516 271 2HD ARG 35 1HD ARG 35 -10.492 3.256 -10.840 272 HE ARG 35 HE ARG 35 -11.351 0.864 -9.870 273 1HH1 ARG 35 1HH1 ARG 35 -12.384 2.946 -12.474 274 2HH1 ARG 35 2HH1 ARG 35 -12.967 1.641 -13.452 275 1HH2 ARG 35 1HH2 ARG 35 -12.116 -0.853 -11.156 276 2HH2 ARG 35 2HH2 ARG 35 -12.815 -0.515 -12.704 277 H GLU 36 H GLU 36 -10.334 2.520 -6.392 278 HA GLU 36 HA GLU 36 -12.413 3.100 -4.540 279 1HB GLU 36 2HB GLU 36 -12.014 0.886 -5.715 280 2HB GLU 36 1HB GLU 36 -10.693 0.617 -4.587 281 1HG GLU 36 2HG GLU 36 -12.166 -0.314 -3.226 282 2HG GLU 36 1HG GLU 36 -12.844 1.293 -2.974 283 H ALA 37 H ALA 37 -8.926 2.709 -4.298 284 HA ALA 37 HA ALA 37 -8.806 2.613 -1.462 285 1HB ALA 37 1HB ALA 37 -6.388 3.288 -1.848 286 2HB ALA 37 2HB ALA 37 -6.764 3.267 -3.571 287 3HB ALA 37 3HB ALA 37 -6.919 1.792 -2.617 288 H GLU 38 H GLU 38 -8.830 5.212 -3.825 289 HA GLU 38 HA GLU 38 -8.071 7.292 -2.073 290 1HB GLU 38 2HB GLU 38 -9.681 7.295 -4.623 291 2HB GLU 38 1HB GLU 38 -9.246 8.765 -3.762 292 1HG GLU 38 2HG GLU 38 -6.974 8.499 -4.211 293 2HG GLU 38 1HG GLU 38 -7.164 6.796 -4.628 294 H LYS 39 H LYS 39 -11.201 5.941 -3.008 295 HA LYS 39 HA LYS 39 -12.839 7.732 -1.612 296 1HB LYS 39 2HB LYS 39 -13.754 6.152 -3.221 297 2HB LYS 39 1HB LYS 39 -13.254 4.797 -2.219 298 1HG LYS 39 2HG LYS 39 -15.116 6.848 -1.112 299 2HG LYS 39 1HG LYS 39 -15.723 5.592 -2.193 300 1HD LYS 39 2HD LYS 39 -14.261 4.086 -0.513 301 2HD LYS 39 1HD LYS 39 -14.721 5.395 0.579 302 1HE LYS 39 2HE LYS 39 -16.633 3.771 -1.096 303 2HE LYS 39 1HE LYS 39 -16.313 3.508 0.617 304 1HZ LYS 39 1HZ LYS 39 -18.334 4.830 0.177 305 2HZ LYS 39 2HZ LYS 39 -17.373 6.041 -0.512 306 3HZ LYS 39 3HZ LYS 39 -17.201 5.655 1.125 307 H LYS 40 H LYS 40 -11.147 4.811 -0.597 308 HA LYS 40 HA LYS 40 -12.252 4.756 2.034 309 1HB LYS 40 2HB LYS 40 -9.871 3.424 0.769 310 2HB LYS 40 1HB LYS 40 -10.273 3.209 2.466 311 1HG LYS 40 2HG LYS 40 -12.619 2.750 0.925 312 2HG LYS 40 1HG LYS 40 -11.293 1.822 0.224 313 1HD LYS 40 2HD LYS 40 -10.808 0.861 2.428 314 2HD LYS 40 1HD LYS 40 -12.148 1.780 3.118 315 1HE LYS 40 2HE LYS 40 -13.736 0.582 1.770 316 2HE LYS 40 1HE LYS 40 -12.441 -0.231 0.891 317 1HZ LYS 40 1HZ LYS 40 -13.466 -1.632 2.610 318 2HZ LYS 40 2HZ LYS 40 -12.959 -0.541 3.799 319 3HZ LYS 40 3HZ LYS 40 -11.815 -1.388 2.886 320 H ILE 41 H ILE 41 -9.107 5.785 0.716 321 HA ILE 41 HA ILE 41 -8.037 6.686 3.164 322 HB ILE 41 HB ILE 41 -7.349 7.713 0.410 323 1HG1 ILE 41 2HG1 ILE 41 -5.692 5.622 1.695 324 2HG1 ILE 41 1HG1 ILE 41 -7.263 5.099 1.101 325 1HG2 ILE 41 1HG2 ILE 41 -5.189 7.475 2.323 326 2HG2 ILE 41 2HG2 ILE 41 -6.466 8.542 2.903 327 3HG2 ILE 41 3HG2 ILE 41 -5.690 8.859 1.352 328 1HD1 ILE 41 1HD1 ILE 41 -6.637 6.133 -1.106 329 2HD1 ILE 41 2HD1 ILE 41 -5.713 4.708 -0.629 330 3HD1 ILE 41 3HD1 ILE 41 -5.007 6.315 -0.459 331 H LYS 42 H LYS 42 -10.216 8.144 0.883 332 HA LYS 42 HA LYS 42 -9.931 10.835 1.338 333 1HB LYS 42 2HB LYS 42 -12.302 9.126 0.739 334 2HB LYS 42 1HB LYS 42 -12.530 10.836 1.075 335 1HG LYS 42 2HG LYS 42 -10.422 10.641 -0.787 336 2HG LYS 42 1HG LYS 42 -11.710 9.571 -1.343 337 1HD LYS 42 2HD LYS 42 -12.641 11.408 -2.217 338 2HD LYS 42 1HD LYS 42 -13.081 11.824 -0.559 339 1HE LYS 42 2HE LYS 42 -11.995 13.740 -1.130 340 2HE LYS 42 1HE LYS 42 -10.618 12.804 -0.550 341 1HZ LYS 42 1HZ LYS 42 -11.432 12.879 -3.399 342 2HZ LYS 42 2HZ LYS 42 -9.988 12.284 -2.752 343 3HZ LYS 42 3HZ LYS 42 -10.301 13.947 -2.737 344 H GLU 43 H GLU 43 -11.212 8.426 3.489 345 HA GLU 43 HA GLU 43 -11.719 10.531 5.476 346 1HB GLU 43 2HB GLU 43 -13.213 7.925 5.164 347 2HB GLU 43 1HB GLU 43 -13.480 9.108 6.437 348 1HG GLU 43 2HG GLU 43 -14.222 10.738 4.815 349 2HG GLU 43 1HG GLU 43 -13.869 9.621 3.497 350 H LEU 44 H LEU 44 -10.753 7.171 4.946 351 HA LEU 44 HA LEU 44 -9.827 6.844 7.652 352 1HB LEU 44 2HB LEU 44 -10.305 5.162 5.364 353 2HB LEU 44 1HB LEU 44 -8.718 4.829 6.030 354 HG LEU 44 HG LEU 44 -10.369 3.333 6.990 355 1HD1 LEU 44 1HD1 LEU 44 -9.581 3.444 9.119 356 2HD1 LEU 44 2HD1 LEU 44 -9.859 5.180 9.253 357 3HD1 LEU 44 3HD1 LEU 44 -8.465 4.576 8.356 358 1HD2 LEU 44 1HD2 LEU 44 -12.385 4.569 6.775 359 2HD2 LEU 44 2HD2 LEU 44 -11.767 5.879 7.781 360 3HD2 LEU 44 3HD2 LEU 44 -12.126 4.309 8.499 361 H PHE 45 H PHE 45 -8.007 7.723 8.360 362 HA PHE 45 HA PHE 45 -5.940 8.586 6.547 363 1HB PHE 45 2HB PHE 45 -6.619 9.867 8.595 364 2HB PHE 45 1HB PHE 45 -5.902 8.588 9.570 365 HD1 PHE 45 1HD PHE 45 -5.210 11.327 7.226 366 HD2 PHE 45 2HD PHE 45 -3.534 8.391 9.812 367 HE1 PHE 45 1HE PHE 45 -3.024 12.445 7.072 368 HE2 PHE 45 2HE PHE 45 -1.345 9.505 9.663 369 HZ PHE 45 HZ PHE 45 -1.088 11.535 8.292 370 H PHE 46 H PHE 46 -4.806 6.942 5.656 371 HA PHE 46 HA PHE 46 -3.855 4.775 7.373 372 1HB PHE 46 2HB PHE 46 -3.828 5.113 4.371 373 2HB PHE 46 1HB PHE 46 -3.128 3.735 5.212 374 HD1 PHE 46 1HD PHE 46 -5.766 4.559 3.314 375 HD2 PHE 46 2HD PHE 46 -4.983 2.909 7.154 376 HE1 PHE 46 1HE PHE 46 -7.958 3.444 3.273 377 HE2 PHE 46 2HE PHE 46 -7.174 1.788 7.123 378 HZ PHE 46 HZ PHE 46 -8.665 2.060 5.181 379 HA PRO 47 HA PRO 47 0.092 6.923 7.533 380 1HB PRO 47 2HB PRO 47 1.339 5.174 9.172 381 2HB PRO 47 1HB PRO 47 0.140 6.331 9.765 382 1HG PRO 47 2HG PRO 47 -0.186 3.428 9.122 383 2HG PRO 47 1HG PRO 47 -0.810 4.344 10.506 384 1HD PRO 47 2HD PRO 47 -2.329 3.718 8.338 385 2HD PRO 47 1HD PRO 47 -2.589 5.176 9.313 386 H VAL 48 H VAL 48 -0.578 3.722 6.435 387 HA VAL 48 HA VAL 48 1.754 3.796 4.710 388 HB VAL 48 HB VAL 48 1.162 1.285 6.248 389 1HG1 VAL 48 1HG1 VAL 48 3.338 2.261 4.455 390 2HG1 VAL 48 2HG1 VAL 48 2.491 0.714 4.457 391 3HG1 VAL 48 3HG1 VAL 48 3.703 1.057 5.691 392 1HG2 VAL 48 1HG2 VAL 48 1.660 2.753 7.980 393 2HG2 VAL 48 2HG2 VAL 48 2.863 3.615 7.025 394 3HG2 VAL 48 3HG2 VAL 48 3.204 1.988 7.606 395 H ILE 49 H ILE 49 1.299 3.062 2.737 396 HA ILE 49 HA ILE 49 -1.187 1.536 2.333 397 HB ILE 49 HB ILE 49 0.129 3.261 0.240 398 1HG1 ILE 49 2HG1 ILE 49 -0.486 4.669 2.181 399 2HG1 ILE 49 1HG1 ILE 49 -1.470 5.023 0.764 400 1HG2 ILE 49 1HG2 ILE 49 -2.558 1.946 0.519 401 2HG2 ILE 49 2HG2 ILE 49 -1.340 1.700 -0.732 402 3HG2 ILE 49 3HG2 ILE 49 -2.238 3.216 -0.664 403 1HD1 ILE 49 1HD1 ILE 49 -2.235 3.705 3.321 404 2HD1 ILE 49 2HD1 ILE 49 -3.131 3.337 1.847 405 3HD1 ILE 49 3HD1 ILE 49 -3.039 4.999 2.432 406 H VAL 50 H VAL 50 -1.130 0.026 0.458 407 HA VAL 50 HA VAL 50 1.494 -0.732 -0.500 408 HB VAL 50 HB VAL 50 -0.152 -2.676 1.124 409 1HG1 VAL 50 1HG1 VAL 50 2.511 -3.077 -0.239 410 2HG1 VAL 50 2HG1 VAL 50 0.970 -3.706 -0.819 411 3HG1 VAL 50 3HG1 VAL 50 1.628 -4.268 0.716 412 1HG2 VAL 50 1HG2 VAL 50 1.837 -2.684 2.606 413 2HG2 VAL 50 2HG2 VAL 50 0.999 -1.134 2.561 414 3HG2 VAL 50 3HG2 VAL 50 2.500 -1.351 1.660 415 H LEU 51 H LEU 51 0.915 -0.503 -2.565 416 HA LEU 51 HA LEU 51 -1.571 -1.394 -3.636 417 1HB LEU 51 2HB LEU 51 -0.051 0.448 -4.537 418 2HB LEU 51 1HB LEU 51 0.927 -0.838 -5.219 419 HG LEU 51 HG LEU 51 -0.892 -1.560 -6.627 420 1HD1 LEU 51 1HD1 LEU 51 -2.783 -1.215 -5.218 421 2HD1 LEU 51 2HD1 LEU 51 -3.015 -0.242 -6.671 422 3HD1 LEU 51 3HD1 LEU 51 -2.500 0.526 -5.169 423 1HD2 LEU 51 1HD2 LEU 51 -0.454 1.420 -6.683 424 2HD2 LEU 51 2HD2 LEU 51 -1.217 0.502 -7.982 425 3HD2 LEU 51 3HD2 LEU 51 0.463 0.187 -7.548 426 H ASP 52 H ASP 52 -1.698 -2.946 -5.463 427 HA ASP 52 HA ASP 52 0.255 -5.087 -5.494 428 1HB ASP 52 2HB ASP 52 -1.586 -5.396 -3.599 429 2HB ASP 52 1HB ASP 52 -2.545 -5.975 -4.958 430 H VAL 53 H VAL 53 -0.050 -3.602 -7.569 431 HA VAL 53 HA VAL 53 -2.075 -3.776 -9.365 432 HB VAL 53 HB VAL 53 0.851 -4.027 -10.078 433 1HG1 VAL 53 1HG1 VAL 53 0.295 -3.768 -12.221 434 2HG1 VAL 53 2HG1 VAL 53 -0.847 -2.476 -11.851 435 3HG1 VAL 53 3HG1 VAL 53 -1.354 -4.161 -11.736 436 1HG2 VAL 53 1HG2 VAL 53 0.750 -2.130 -8.731 437 2HG2 VAL 53 2HG2 VAL 53 -0.848 -1.676 -9.323 438 3HG2 VAL 53 3HG2 VAL 53 0.564 -1.485 -10.362 439 H TRP 54 H TRP 54 -3.193 -5.724 -9.323 440 HA TRP 54 HA TRP 54 -1.822 -8.180 -10.065 441 1HB TRP 54 2HB TRP 54 -3.498 -8.419 -8.361 442 2HB TRP 54 1HB TRP 54 -4.689 -7.559 -9.331 443 HD1 TRP 54 HD TRP 54 -6.469 -9.222 -10.089 444 HE1 TRP 54 1HE TRP 54 -6.487 -11.628 -11.001 445 HE3 TRP 54 3HE TRP 54 -1.469 -10.233 -9.803 446 HZ2 TRP 54 2HZ TRP 54 -4.625 -13.686 -11.528 447 HZ3 TRP 54 3HZ TRP 54 -0.667 -12.444 -10.530 448 HH2 TRP 54 HH TRP 54 -2.215 -14.133 -11.374 449 H MET 55 H MET 55 -4.920 -6.880 -11.202 450 HA MET 55 HA MET 55 -3.960 -6.850 -13.945 451 1HB MET 55 2HB MET 55 -4.892 -9.170 -13.368 452 2HB MET 55 1HB MET 55 -6.466 -8.388 -13.294 453 1HG MET 55 2HG MET 55 -6.572 -8.068 -15.541 454 2HG MET 55 1HG MET 55 -4.823 -7.945 -15.719 455 1HE MET 55 1HE MET 55 -7.022 -10.297 -13.903 456 2HE MET 55 2HE MET 55 -6.524 -11.907 -14.420 457 3HE MET 55 3HE MET 55 -7.749 -11.028 -15.334 458 HA PRO 56 HA PRO 56 -7.361 -3.767 -13.050 459 1HB PRO 56 2HB PRO 56 -6.000 -1.744 -11.784 460 2HB PRO 56 1HB PRO 56 -6.837 -3.050 -10.946 461 1HG PRO 56 2HG PRO 56 -4.012 -2.540 -11.077 462 2HG PRO 56 1HG PRO 56 -4.855 -3.816 -10.191 463 1HD PRO 56 2HD PRO 56 -3.496 -3.928 -12.812 464 2HD PRO 56 1HD PRO 56 -3.852 -5.230 -11.664 465 H ASP 57 H ASP 57 -6.902 -1.052 -13.293 466 HA ASP 57 HA ASP 57 -5.116 -0.620 -15.541 467 1HB ASP 57 2HB ASP 57 -7.264 -1.433 -16.523 468 2HB ASP 57 1HB ASP 57 -8.069 -0.041 -15.806 469 H GLY 58 H GLY 58 -4.475 0.502 -13.329 470 1HA GLY 58 2HA GLY 58 -5.277 3.306 -13.651 471 2HA GLY 58 1HA GLY 58 -5.422 2.578 -12.059 472 H ASP 59 H ASP 59 -3.613 4.672 -13.564 473 HA ASP 59 HA ASP 59 -0.964 3.669 -13.172 474 1HB ASP 59 2HB ASP 59 -0.271 6.012 -13.601 475 2HB ASP 59 1HB ASP 59 -1.368 5.395 -14.831 476 H GLY 60 H GLY 60 0.501 4.137 -11.545 477 1HA GLY 60 2HA GLY 60 -0.734 5.029 -9.028 478 2HA GLY 60 1HA GLY 60 0.686 4.004 -9.155 479 H VAL 61 H VAL 61 1.609 5.953 -11.369 480 HA VAL 61 HA VAL 61 3.458 7.384 -9.914 481 HB VAL 61 HB VAL 61 2.284 8.176 -12.582 482 1HG1 VAL 61 1HG1 VAL 61 5.000 8.753 -11.424 483 2HG1 VAL 61 2HG1 VAL 61 3.659 9.897 -11.459 484 3HG1 VAL 61 3HG1 VAL 61 4.360 9.314 -12.969 485 1HG2 VAL 61 1HG2 VAL 61 4.430 6.206 -11.842 486 2HG2 VAL 61 2HG2 VAL 61 4.314 6.919 -13.450 487 3HG2 VAL 61 3HG2 VAL 61 2.988 5.941 -12.821 488 H ASN 62 H ASN 62 0.237 8.376 -10.983 489 HA ASN 62 HA ASN 62 0.553 11.012 -9.820 490 1HB ASN 62 2HB ASN 62 -0.753 11.344 -11.642 491 2HB ASN 62 1HB ASN 62 -1.344 9.688 -11.645 492 1HD2 ASN 62 1HD2 ASN 62 -2.995 9.158 -10.032 493 2HD2 ASN 62 2HD2 ASN 62 -4.156 10.367 -9.616 494 H PHE 63 H PHE 63 -0.377 7.956 -8.720 495 HA PHE 63 HA PHE 63 -2.366 8.822 -6.837 496 1HB PHE 63 2HB PHE 63 -2.341 6.526 -7.776 497 2HB PHE 63 1HB PHE 63 -0.830 6.217 -6.922 498 HD1 PHE 63 1HD PHE 63 -4.053 7.818 -5.945 499 HD2 PHE 63 2HD PHE 63 -1.179 4.779 -5.164 500 HE1 PHE 63 1HE PHE 63 -5.322 7.136 -3.953 501 HE2 PHE 63 2HE PHE 63 -2.444 4.090 -3.170 502 HZ PHE 63 HZ PHE 63 -4.520 5.271 -2.562 503 H ILE 64 H ILE 64 1.084 8.054 -6.719 504 HA ILE 64 HA ILE 64 1.560 7.972 -4.025 505 HB ILE 64 HB ILE 64 3.304 9.398 -6.037 506 1HG1 ILE 64 2HG1 ILE 64 4.302 6.825 -5.487 507 2HG1 ILE 64 1HG1 ILE 64 2.573 6.615 -5.755 508 1HG2 ILE 64 1HG2 ILE 64 5.133 8.918 -4.533 509 2HG2 ILE 64 2HG2 ILE 64 4.043 8.082 -3.427 510 3HG2 ILE 64 3HG2 ILE 64 3.884 9.820 -3.676 511 1HD1 ILE 64 1HD1 ILE 64 4.633 7.717 -7.625 512 2HD1 ILE 64 2HD1 ILE 64 2.907 7.975 -7.875 513 3HD1 ILE 64 3HD1 ILE 64 3.560 6.338 -7.850 514 H ASP 65 H ASP 65 0.845 10.792 -5.980 515 HA ASP 65 HA ASP 65 1.527 12.689 -3.941 516 1HB ASP 65 2HB ASP 65 1.472 13.139 -6.447 517 2HB ASP 65 1HB ASP 65 -0.283 13.175 -6.310 518 H PHE 66 H PHE 66 -1.359 10.975 -4.930 519 HA PHE 66 HA PHE 66 -3.263 12.497 -3.540 520 1HB PHE 66 2HB PHE 66 -4.010 10.896 -5.165 521 2HB PHE 66 1HB PHE 66 -3.203 9.577 -4.325 522 HD1 PHE 66 1HD PHE 66 -4.166 8.588 -2.344 523 HD2 PHE 66 2HD PHE 66 -6.114 11.783 -4.371 524 HE1 PHE 66 1HE PHE 66 -6.235 8.108 -1.106 525 HE2 PHE 66 2HE PHE 66 -8.188 11.309 -3.135 526 HZ PHE 66 HZ PHE 66 -8.249 9.469 -1.498 527 H ILE 67 H ILE 67 -1.326 9.688 -2.566 528 HA ILE 67 HA ILE 67 -2.405 9.332 -0.013 529 HB ILE 67 HB ILE 67 0.379 8.778 -1.048 530 1HG1 ILE 67 2HG1 ILE 67 -0.611 6.371 -0.718 531 2HG1 ILE 67 1HG1 ILE 67 -2.160 7.206 -0.782 532 1HG2 ILE 67 1HG2 ILE 67 0.919 8.725 1.150 533 2HG2 ILE 67 2HG2 ILE 67 0.181 7.125 1.054 534 3HG2 ILE 67 3HG2 ILE 67 -0.751 8.490 1.667 535 1HD1 ILE 67 1HD1 ILE 67 -0.293 7.900 -2.933 536 2HD1 ILE 67 2HD1 ILE 67 -2.021 7.549 -2.989 537 3HD1 ILE 67 3HD1 ILE 67 -0.854 6.228 -2.930 538 H LYS 68 H LYS 68 0.233 11.415 -1.146 539 HA LYS 68 HA LYS 68 0.733 12.451 1.500 540 1HB LYS 68 2HB LYS 68 1.735 13.321 -1.219 541 2HB LYS 68 1HB LYS 68 2.272 14.013 0.306 542 1HG LYS 68 2HG LYS 68 2.662 11.338 0.718 543 2HG LYS 68 1HG LYS 68 3.037 11.519 -0.998 544 1HD LYS 68 2HD LYS 68 4.845 12.859 -0.602 545 2HD LYS 68 1HD LYS 68 4.166 13.518 0.889 546 1HE LYS 68 2HE LYS 68 5.139 10.681 0.619 547 2HE LYS 68 1HE LYS 68 6.160 12.007 1.176 548 1HZ LYS 68 1HZ LYS 68 3.578 11.572 2.498 549 2HZ LYS 68 2HZ LYS 68 5.024 12.182 3.132 550 3HZ LYS 68 3HZ LYS 68 4.854 10.522 2.860 551 H GLU 69 H GLU 69 -1.403 13.146 -1.085 552 HA GLU 69 HA GLU 69 -1.786 15.921 -0.594 553 1HB GLU 69 2HB GLU 69 -2.375 14.703 -2.716 554 2HB GLU 69 1HB GLU 69 -3.741 14.008 -1.857 555 1HG GLU 69 2HG GLU 69 -4.866 16.014 -1.740 556 2HG GLU 69 1HG GLU 69 -3.394 16.967 -1.922 557 H ASN 70 H ASN 70 -3.122 12.984 0.712 558 HA ASN 70 HA ASN 70 -4.653 14.587 2.638 559 1HB ASN 70 2HB ASN 70 -6.198 12.369 2.508 560 2HB ASN 70 1HB ASN 70 -6.506 13.826 1.568 561 1HD2 ASN 70 1HD2 ASN 70 -5.254 13.872 -0.563 562 2HD2 ASN 70 2HD2 ASN 70 -5.268 12.410 -1.480 563 H SER 71 H SER 71 -2.030 12.973 2.524 564 HA SER 71 HA SER 71 -2.171 12.002 5.195 565 1HB SER 71 2HB SER 71 -2.661 10.116 3.037 566 2HB SER 71 1HB SER 71 -1.246 9.659 3.986 567 HG SER 71 HG SER 71 -3.329 8.866 4.767 568 HA PRO 72 HA PRO 72 1.967 13.344 3.485 569 1HB PRO 72 2HB PRO 72 1.982 15.100 5.831 570 2HB PRO 72 1HB PRO 72 2.224 15.507 4.130 571 1HG PRO 72 2HG PRO 72 -0.003 16.212 5.477 572 2HG PRO 72 1HG PRO 72 -0.022 15.820 3.749 573 1HD PRO 72 2HD PRO 72 -0.847 14.141 6.086 574 2HD PRO 72 1HD PRO 72 -1.615 14.312 4.492 575 H ASP 73 H ASP 73 0.740 12.313 6.510 576 HA ASP 73 HA ASP 73 3.408 11.568 7.466 577 1HB ASP 73 2HB ASP 73 1.876 12.810 8.999 578 2HB ASP 73 1HB ASP 73 0.781 11.431 8.953 579 H SER 74 H SER 74 2.085 10.179 5.274 580 HA SER 74 HA SER 74 1.661 7.543 6.510 581 1HB SER 74 2HB SER 74 -0.291 8.342 5.263 582 2HB SER 74 1HB SER 74 0.705 8.568 3.827 583 HG SER 74 HG SER 74 -0.424 6.586 3.769 584 H VAL 75 H VAL 75 1.971 6.004 4.172 585 HA VAL 75 HA VAL 75 4.579 6.606 3.066 586 HB VAL 75 HB VAL 75 4.210 4.051 4.637 587 1HG1 VAL 75 1HG1 VAL 75 6.231 5.080 2.720 588 2HG1 VAL 75 2HG1 VAL 75 5.703 3.426 3.030 589 3HG1 VAL 75 3HG1 VAL 75 6.838 4.211 4.130 590 1HG2 VAL 75 1HG2 VAL 75 4.460 5.873 6.180 591 2HG2 VAL 75 2HG2 VAL 75 5.803 6.539 5.253 592 3HG2 VAL 75 3HG2 VAL 75 5.991 5.001 6.096 593 H VAL 76 H VAL 76 4.838 5.787 1.093 594 HA VAL 76 HA VAL 76 2.710 4.017 0.096 595 HB VAL 76 HB VAL 76 4.529 5.578 -1.705 596 1HG1 VAL 76 1HG1 VAL 76 2.593 3.739 -2.208 597 2HG1 VAL 76 2HG1 VAL 76 3.107 4.993 -3.338 598 3HG1 VAL 76 3HG1 VAL 76 1.684 5.246 -2.326 599 1HG2 VAL 76 1HG2 VAL 76 2.401 6.636 0.050 600 2HG2 VAL 76 2HG2 VAL 76 2.371 7.175 -1.629 601 3HG2 VAL 76 3HG2 VAL 76 3.808 7.443 -0.643 602 H ILE 77 H ILE 77 3.308 1.958 0.036 603 HA ILE 77 HA ILE 77 6.080 1.222 -0.436 604 HB ILE 77 HB ILE 77 3.698 -0.587 -0.004 605 1HG1 ILE 77 2HG1 ILE 77 4.067 0.955 1.899 606 2HG1 ILE 77 1HG1 ILE 77 4.395 -0.721 2.324 607 1HG2 ILE 77 1HG2 ILE 77 5.518 -1.757 -1.039 608 2HG2 ILE 77 2HG2 ILE 77 5.445 -2.226 0.659 609 3HG2 ILE 77 3HG2 ILE 77 6.669 -1.079 0.112 610 1HD1 ILE 77 1HD1 ILE 77 6.849 0.193 1.510 611 2HD1 ILE 77 2HD1 ILE 77 6.297 0.045 3.179 612 3HD1 ILE 77 3HD1 ILE 77 6.154 1.588 2.336 613 H VAL 78 H VAL 78 2.916 0.387 -1.852 614 HA VAL 78 HA VAL 78 2.306 -0.320 -3.927 615 HB VAL 78 HB VAL 78 4.638 1.334 -4.902 616 1HG1 VAL 78 1HG1 VAL 78 1.981 0.709 -6.190 617 2HG1 VAL 78 2HG1 VAL 78 3.500 -0.106 -6.565 618 3HG1 VAL 78 3HG1 VAL 78 3.315 1.615 -6.903 619 1HG2 VAL 78 1HG2 VAL 78 2.151 2.122 -3.569 620 2HG2 VAL 78 2HG2 VAL 78 2.445 2.944 -5.102 621 3HG2 VAL 78 3HG2 VAL 78 3.646 3.025 -3.812 622 H ILE 79 H ILE 79 2.624 -2.448 -4.135 623 HA ILE 79 HA ILE 79 5.315 -3.436 -4.780 624 HB ILE 79 HB ILE 79 3.046 -5.305 -4.270 625 1HG1 ILE 79 2HG1 ILE 79 4.541 -3.927 -2.037 626 2HG1 ILE 79 1HG1 ILE 79 2.891 -3.536 -2.508 627 1HG2 ILE 79 1HG2 ILE 79 4.801 -6.671 -4.468 628 2HG2 ILE 79 2HG2 ILE 79 5.258 -6.127 -2.855 629 3HG2 ILE 79 3HG2 ILE 79 5.956 -5.351 -4.276 630 1HD1 ILE 79 1HD1 ILE 79 3.275 -5.110 -0.519 631 2HD1 ILE 79 2HD1 ILE 79 3.643 -6.325 -1.744 632 3HD1 ILE 79 3HD1 ILE 79 2.060 -5.548 -1.719 633 H THR 80 H THR 80 4.846 -5.705 -6.163 634 HA THR 80 HA THR 80 4.471 -6.519 -8.248 635 HB THR 80 HB THR 80 2.112 -5.173 -9.076 636 HG1 THR 80 1HG THR 80 1.605 -4.426 -7.118 637 1HG2 THR 80 1HG2 THR 80 1.739 -7.300 -9.549 638 2HG2 THR 80 2HG2 THR 80 1.281 -7.505 -7.859 639 3HG2 THR 80 3HG2 THR 80 2.933 -7.849 -8.372 640 H GLY 81 H GLY 81 4.334 -5.941 -10.570 641 1HA GLY 81 2HA GLY 81 5.446 -3.237 -10.983 642 2HA GLY 81 1HA GLY 81 5.860 -4.642 -11.954 643 H HIS 82 H HIS 82 5.331 -3.433 -13.837 644 HA HIS 82 HA HIS 82 2.575 -3.731 -14.601 645 1HB HIS 82 2HB HIS 82 3.268 -1.285 -13.496 646 2HB HIS 82 1HB HIS 82 3.378 -0.996 -15.229 647 HD1 HIS 82 1HD HIS 82 1.066 -2.223 -16.466 648 HD2 HIS 82 2HD HIS 82 0.806 -0.623 -12.640 649 HE1 HIS 82 1HE HIS 82 -1.380 -1.775 -16.089 650 HE2 HIS 82 2HE HIS 82 -1.522 -0.882 -13.737 651 H GLY 83 H GLY 83 5.194 -4.725 -15.418 652 1HA GLY 83 2HA GLY 83 5.301 -5.357 -17.855 653 2HA GLY 83 1HA GLY 83 5.313 -3.627 -18.158 654 H SER 84 H SER 84 7.196 -2.481 -17.947 655 HA SER 84 HA SER 84 9.615 -4.103 -17.650 656 1HB SER 84 2HB SER 84 9.623 -1.241 -18.553 657 2HB SER 84 1HB SER 84 10.728 -2.547 -18.980 658 HG SER 84 HG SER 84 8.937 -3.496 -20.133 659 H VAL 85 H VAL 85 8.166 -3.423 -15.308 660 HA VAL 85 HA VAL 85 8.335 -2.405 -13.267 661 HB VAL 85 HB VAL 85 10.576 -2.512 -12.267 662 1HG1 VAL 85 1HG1 VAL 85 9.933 -4.907 -13.982 663 2HG1 VAL 85 2HG1 VAL 85 9.199 -4.532 -12.423 664 3HG1 VAL 85 3HG1 VAL 85 10.919 -4.907 -12.521 665 1HG2 VAL 85 1HG2 VAL 85 12.520 -3.086 -13.497 666 2HG2 VAL 85 2HG2 VAL 85 11.758 -1.752 -14.363 667 3HG2 VAL 85 3HG2 VAL 85 11.586 -3.403 -14.959 668 H ASP 86 H ASP 86 8.251 -0.530 -15.503 669 HA ASP 86 HA ASP 86 10.092 1.596 -14.883 670 1HB ASP 86 2HB ASP 86 7.593 1.687 -16.592 671 2HB ASP 86 1HB ASP 86 8.900 2.868 -16.580 672 H THR 87 H THR 87 6.545 1.178 -14.552 673 HA THR 87 HA THR 87 5.915 3.540 -13.309 674 HB THR 87 HB THR 87 4.431 1.467 -13.932 675 HG1 THR 87 1HG THR 87 2.817 2.297 -12.527 676 1HG2 THR 87 1HG2 THR 87 5.349 -0.090 -12.280 677 2HG2 THR 87 2HG2 THR 87 3.627 0.198 -12.033 678 3HG2 THR 87 3HG2 THR 87 4.811 0.978 -10.984 679 H ALA 88 H ALA 88 7.553 0.760 -12.010 680 HA ALA 88 HA ALA 88 7.407 1.329 -9.275 681 1HB ALA 88 1HB ALA 88 9.732 0.047 -10.701 682 2HB ALA 88 2HB ALA 88 8.233 -0.797 -10.316 683 3HB ALA 88 3HB ALA 88 9.251 -0.172 -9.021 684 H VAL 89 H VAL 89 10.079 1.965 -11.527 685 HA VAL 89 HA VAL 89 11.491 3.652 -9.757 686 HB VAL 89 HB VAL 89 12.897 4.211 -11.646 687 1HG1 VAL 89 1HG1 VAL 89 13.623 2.170 -10.976 688 2HG1 VAL 89 2HG1 VAL 89 13.078 1.721 -12.592 689 3HG1 VAL 89 3HG1 VAL 89 12.046 1.415 -11.196 690 1HG2 VAL 89 1HG2 VAL 89 12.391 3.684 -13.908 691 2HG2 VAL 89 2HG2 VAL 89 10.984 4.526 -13.259 692 3HG2 VAL 89 3HG2 VAL 89 10.956 2.773 -13.444 693 H LYS 90 H LYS 90 8.860 4.192 -11.939 694 HA LYS 90 HA LYS 90 9.223 7.055 -12.060 695 1HB LYS 90 2HB LYS 90 8.256 5.789 -13.950 696 2HB LYS 90 1HB LYS 90 6.884 5.358 -12.940 697 1HG LYS 90 2HG LYS 90 6.143 7.608 -12.836 698 2HG LYS 90 1HG LYS 90 7.637 8.199 -13.566 699 1HD LYS 90 2HD LYS 90 6.093 6.211 -15.121 700 2HD LYS 90 1HD LYS 90 5.376 7.816 -14.955 701 1HE LYS 90 2HE LYS 90 7.152 8.856 -16.045 702 2HE LYS 90 1HE LYS 90 8.240 7.495 -15.774 703 1HZ LYS 90 1HZ LYS 90 7.735 7.110 -17.928 704 2HZ LYS 90 2HZ LYS 90 6.235 7.886 -17.852 705 3HZ LYS 90 3HZ LYS 90 6.403 6.313 -17.256 706 H ALA 91 H ALA 91 7.664 4.801 -9.986 707 HA ALA 91 HA ALA 91 5.969 6.896 -8.826 708 1HB ALA 91 1HB ALA 91 4.977 4.940 -7.549 709 2HB ALA 91 2HB ALA 91 5.923 3.900 -8.614 710 3HB ALA 91 3HB ALA 91 4.698 4.974 -9.289 711 H ILE 92 H ILE 92 8.518 4.587 -7.990 712 HA ILE 92 HA ILE 92 8.560 5.224 -5.225 713 HB ILE 92 HB ILE 92 10.534 3.931 -5.050 714 1HG1 ILE 92 2HG1 ILE 92 10.824 4.196 -8.051 715 2HG1 ILE 92 1HG1 ILE 92 11.846 4.966 -6.842 716 1HG2 ILE 92 1HG2 ILE 92 9.863 2.042 -6.885 717 2HG2 ILE 92 2HG2 ILE 92 8.379 2.990 -6.798 718 3HG2 ILE 92 3HG2 ILE 92 9.052 2.274 -5.337 719 1HD1 ILE 92 1HD1 ILE 92 12.843 2.949 -6.232 720 2HD1 ILE 92 2HD1 ILE 92 12.723 2.864 -7.989 721 3HD1 ILE 92 3HD1 ILE 92 11.570 1.987 -6.983 722 H LYS 93 H LYS 93 10.017 6.667 -8.031 723 HA LYS 93 HA LYS 93 12.002 8.162 -6.620 724 1HB LYS 93 2HB LYS 93 11.010 7.979 -9.390 725 2HB LYS 93 1HB LYS 93 11.626 9.561 -8.932 726 1HG LYS 93 2HG LYS 93 13.352 7.344 -8.128 727 2HG LYS 93 1HG LYS 93 13.128 7.489 -9.872 728 1HD LYS 93 2HD LYS 93 13.652 9.975 -9.542 729 2HD LYS 93 1HD LYS 93 14.247 9.506 -7.949 730 1HE LYS 93 2HE LYS 93 15.247 7.845 -10.145 731 2HE LYS 93 1HE LYS 93 15.731 9.539 -10.243 732 1HZ LYS 93 1HZ LYS 93 17.016 9.371 -8.412 733 2HZ LYS 93 2HZ LYS 93 17.067 7.737 -8.845 734 3HZ LYS 93 3HZ LYS 93 15.999 8.259 -7.642 735 H LYS 94 H LYS 94 8.666 8.674 -7.520 736 HA LYS 94 HA LYS 94 8.503 11.444 -7.165 737 1HB LYS 94 2HB LYS 94 6.758 9.847 -8.128 738 2HB LYS 94 1HB LYS 94 6.294 9.531 -6.461 739 1HG LYS 94 2HG LYS 94 5.314 11.554 -6.203 740 2HG LYS 94 1HG LYS 94 6.448 12.365 -7.285 741 1HD LYS 94 2HD LYS 94 4.982 10.520 -8.848 742 2HD LYS 94 1HD LYS 94 3.820 11.381 -7.838 743 1HE LYS 94 2HE LYS 94 3.993 12.691 -9.767 744 2HE LYS 94 1HE LYS 94 5.020 13.511 -8.591 745 1HZ LYS 94 1HZ LYS 94 6.954 12.602 -9.604 746 2HZ LYS 94 2HZ LYS 94 6.012 13.271 -10.840 747 3HZ LYS 94 3HZ LYS 94 6.043 11.595 -10.613 748 H GLY 95 H GLY 95 7.387 8.958 -4.857 749 1HA GLY 95 2HA GLY 95 8.712 10.126 -2.638 750 2HA GLY 95 1HA GLY 95 7.040 10.659 -2.686 751 H ALA 96 H ALA 96 8.007 7.484 -3.803 752 HA ALA 96 HA ALA 96 6.323 6.299 -1.748 753 1HB ALA 96 1HB ALA 96 5.926 4.639 -3.201 754 2HB ALA 96 2HB ALA 96 7.630 4.472 -3.624 755 3HB ALA 96 3HB ALA 96 6.647 5.716 -4.397 756 H TYR 97 H TYR 97 7.438 3.803 -1.471 757 HA TYR 97 HA TYR 97 9.982 4.386 -0.101 758 1HB TYR 97 2HB TYR 97 8.153 3.968 1.467 759 2HB TYR 97 1HB TYR 97 7.815 2.430 0.686 760 HD1 TYR 97 1HD TYR 97 10.535 4.260 2.463 761 HD2 TYR 97 2HD TYR 97 8.818 0.491 1.492 762 HE1 TYR 97 1HE TYR 97 12.122 3.153 3.980 763 HE2 TYR 97 2HE TYR 97 10.399 -0.627 3.006 764 HH TYR 97 HH TYR 97 13.142 0.795 4.177 765 H GLU 98 H GLU 98 9.453 3.418 -2.834 766 HA GLU 98 HA GLU 98 10.691 2.128 -4.268 767 1HB GLU 98 2HB GLU 98 12.455 0.876 -3.584 768 2HB GLU 98 1HB GLU 98 12.205 1.779 -2.102 769 1HG GLU 98 2HG GLU 98 10.604 -0.320 -1.615 770 2HG GLU 98 1HG GLU 98 11.777 -1.083 -2.685 771 H PHE 99 H PHE 99 10.234 0.320 -5.485 772 HA PHE 99 HA PHE 99 7.692 -0.902 -4.927 773 1HB PHE 99 2HB PHE 99 9.473 -0.592 -7.216 774 2HB PHE 99 1HB PHE 99 8.751 -2.193 -7.142 775 HD1 PHE 99 1HD PHE 99 7.359 1.133 -6.208 776 HD2 PHE 99 2HD PHE 99 7.126 -2.253 -8.777 777 HE1 PHE 99 1HE PHE 99 5.291 2.030 -7.199 778 HE2 PHE 99 2HE PHE 99 5.058 -1.361 -9.773 779 HZ PHE 99 HZ PHE 99 4.140 0.782 -8.981 780 H LEU 100 H LEU 100 7.665 -2.452 -3.410 781 HA LEU 100 HA LEU 100 9.775 -4.115 -2.681 782 1HB LEU 100 2HB LEU 100 7.493 -3.610 -1.541 783 2HB LEU 100 1HB LEU 100 6.918 -4.982 -2.464 784 HG LEU 100 HG LEU 100 8.405 -6.475 -1.336 785 1HD1 LEU 100 1HD1 LEU 100 9.873 -5.564 0.519 786 2HD1 LEU 100 2HD1 LEU 100 9.624 -3.973 -0.199 787 3HD1 LEU 100 3HD1 LEU 100 10.407 -5.248 -1.132 788 1HD2 LEU 100 1HD2 LEU 100 7.636 -4.987 1.053 789 2HD2 LEU 100 2HD2 LEU 100 7.146 -6.589 0.504 790 3HD2 LEU 100 3HD2 LEU 100 6.335 -5.156 -0.125 791 H GLU 101 H GLU 101 9.735 -6.551 -2.840 792 HA GLU 101 HA GLU 101 10.028 -7.345 -5.506 793 1HB GLU 101 2HB GLU 101 9.996 -8.730 -2.875 794 2HB GLU 101 1HB GLU 101 9.789 -9.726 -4.309 795 1HG GLU 101 2HG GLU 101 11.897 -8.361 -5.125 796 2HG GLU 101 1HG GLU 101 12.150 -8.186 -3.389 797 H LYS 102 H LYS 102 8.680 -8.184 -6.983 798 HA LYS 102 HA LYS 102 5.859 -8.233 -6.392 799 1HB LYS 102 2HB LYS 102 7.042 -9.128 -9.000 800 2HB LYS 102 1HB LYS 102 5.494 -8.355 -8.698 801 1HG LYS 102 2HG LYS 102 6.658 -6.262 -8.162 802 2HG LYS 102 1HG LYS 102 8.199 -7.043 -8.518 803 1HD LYS 102 2HD LYS 102 6.097 -7.192 -10.601 804 2HD LYS 102 1HD LYS 102 6.846 -5.618 -10.328 805 1HE LYS 102 2HE LYS 102 8.362 -8.169 -10.861 806 2HE LYS 102 1HE LYS 102 7.964 -6.966 -12.088 807 1HZ LYS 102 1HZ LYS 102 9.831 -6.742 -9.818 808 2HZ LYS 102 2HZ LYS 102 9.158 -5.352 -10.509 809 3HZ LYS 102 3HZ LYS 102 10.097 -6.396 -11.452 810 HA PRO 103 HA PRO 103 6.407 -12.892 -7.267 811 1HB PRO 103 2HB PRO 103 8.824 -13.949 -7.678 812 2HB PRO 103 1HB PRO 103 7.970 -13.094 -8.969 813 1HG PRO 103 2HG PRO 103 10.202 -12.148 -7.223 814 2HG PRO 103 1HG PRO 103 9.939 -11.873 -8.953 815 1HD PRO 103 2HD PRO 103 9.320 -10.070 -6.942 816 2HD PRO 103 1HD PRO 103 8.621 -10.057 -8.571 817 H PHE 104 H PHE 104 6.389 -11.755 -4.784 818 HA PHE 104 HA PHE 104 7.956 -13.675 -3.195 819 1HB PHE 104 2HB PHE 104 8.410 -10.982 -3.162 820 2HB PHE 104 1HB PHE 104 7.253 -11.151 -1.846 821 HD1 PHE 104 1HD PHE 104 10.651 -11.648 -2.912 822 HD2 PHE 104 2HD PHE 104 7.776 -12.706 0.042 823 HE1 PHE 104 1HE PHE 104 12.461 -12.397 -1.425 824 HE2 PHE 104 2HE PHE 104 9.581 -13.457 1.535 825 HZ PHE 104 HZ PHE 104 11.928 -13.303 0.803 826 H SER 105 H SER 105 7.001 -14.166 -1.075 827 HA SER 105 HA SER 105 4.159 -14.581 -1.343 828 1HB SER 105 2HB SER 105 5.621 -15.285 1.163 829 2HB SER 105 1HB SER 105 4.373 -16.183 0.300 830 HG SER 105 HG SER 105 5.979 -16.596 -1.329 831 H VAL 106 H VAL 106 6.146 -13.272 1.320 832 HA VAL 106 HA VAL 106 4.729 -10.882 1.628 833 HB VAL 106 HB VAL 106 2.856 -12.393 2.236 834 1HG1 VAL 106 1HG1 VAL 106 4.103 -13.049 4.836 835 2HG1 VAL 106 2HG1 VAL 106 4.662 -13.956 3.432 836 3HG1 VAL 106 3HG1 VAL 106 2.955 -13.966 3.863 837 1HG2 VAL 106 1HG2 VAL 106 2.356 -11.285 4.449 838 2HG2 VAL 106 2HG2 VAL 106 2.757 -10.198 3.120 839 3HG2 VAL 106 3HG2 VAL 106 3.962 -10.562 4.354 840 H GLU 107 H GLU 107 6.504 -13.476 3.191 841 HA GLU 107 HA GLU 107 7.412 -12.468 5.507 842 1HB GLU 107 2HB GLU 107 8.087 -14.618 4.279 843 2HB GLU 107 1HB GLU 107 9.376 -13.655 3.573 844 1HG GLU 107 2HG GLU 107 9.810 -13.040 6.105 845 2HG GLU 107 1HG GLU 107 9.007 -14.589 6.360 846 H ARG 108 H ARG 108 8.506 -11.450 2.310 847 HA ARG 108 HA ARG 108 10.585 -9.745 3.259 848 1HB ARG 108 2HB ARG 108 10.469 -10.681 0.943 849 2HB ARG 108 1HB ARG 108 9.113 -9.607 0.621 850 1HG ARG 108 2HG ARG 108 10.896 -8.450 -0.272 851 2HG ARG 108 1HG ARG 108 10.743 -7.727 1.331 852 1HD ARG 108 2HD ARG 108 12.786 -8.398 1.913 853 2HD ARG 108 1HD ARG 108 12.462 -10.050 1.387 854 HE ARG 108 HE ARG 108 12.885 -8.734 -0.938 855 1HH1 ARG 108 1HH1 ARG 108 14.702 -8.975 2.032 856 2HH1 ARG 108 2HH1 ARG 108 16.238 -8.781 1.255 857 1HH2 ARG 108 1HH2 ARG 108 14.904 -8.478 -1.961 858 2HH2 ARG 108 2HH2 ARG 108 16.352 -8.499 -1.012 859 H PHE 109 H PHE 109 7.205 -9.294 2.388 860 HA PHE 109 HA PHE 109 7.060 -6.512 2.477 861 1HB PHE 109 2HB PHE 109 5.210 -7.769 1.611 862 2HB PHE 109 1HB PHE 109 5.011 -8.637 3.128 863 HD1 PHE 109 1HD PHE 109 5.307 -5.020 2.263 864 HD2 PHE 109 2HD PHE 109 3.012 -8.093 4.107 865 HE1 PHE 109 1HE PHE 109 3.662 -3.346 2.995 866 HE2 PHE 109 2HE PHE 109 1.360 -6.424 4.841 867 HZ PHE 109 HZ PHE 109 1.685 -4.046 4.286 868 H LEU 110 H LEU 110 7.250 -8.862 5.032 869 HA LEU 110 HA LEU 110 6.228 -7.486 7.193 870 1HB LEU 110 2HB LEU 110 7.554 -9.834 6.830 871 2HB LEU 110 1HB LEU 110 8.718 -8.908 7.756 872 HG LEU 110 HG LEU 110 5.887 -9.081 8.702 873 1HD1 LEU 110 1HD1 LEU 110 7.000 -11.034 10.141 874 2HD1 LEU 110 2HD1 LEU 110 7.878 -11.266 8.629 875 3HD1 LEU 110 3HD1 LEU 110 6.115 -11.334 8.644 876 1HD2 LEU 110 1HD2 LEU 110 8.541 -8.358 9.790 877 2HD2 LEU 110 2HD2 LEU 110 7.428 -9.183 10.882 878 3HD2 LEU 110 3HD2 LEU 110 6.952 -7.667 10.117 879 H LEU 111 H LEU 111 9.538 -7.355 5.906 880 HA LEU 111 HA LEU 111 10.495 -5.489 7.807 881 1HB LEU 111 2HB LEU 111 11.495 -6.118 5.030 882 2HB LEU 111 1HB LEU 111 12.368 -5.170 6.220 883 HG LEU 111 HG LEU 111 12.069 -7.344 7.691 884 1HD1 LEU 111 1HD1 LEU 111 11.423 -8.206 4.940 885 2HD1 LEU 111 2HD1 LEU 111 10.918 -8.876 6.492 886 3HD1 LEU 111 3HD1 LEU 111 12.524 -9.234 5.856 887 1HD2 LEU 111 1HD2 LEU 111 14.136 -6.167 6.430 888 2HD2 LEU 111 2HD2 LEU 111 14.122 -7.728 5.611 889 3HD2 LEU 111 3HD2 LEU 111 14.280 -7.655 7.366 890 H THR 112 H THR 112 9.468 -5.064 4.416 891 HA THR 112 HA THR 112 9.831 -2.374 4.108 892 HB THR 112 HB THR 112 7.566 -4.114 3.124 893 HG1 THR 112 1HG THR 112 9.564 -4.671 2.293 894 1HG2 THR 112 1HG2 THR 112 7.935 -2.015 1.326 895 2HG2 THR 112 2HG2 THR 112 7.791 -1.264 2.916 896 3HG2 THR 112 3HG2 THR 112 6.521 -2.340 2.330 897 H ILE 113 H ILE 113 7.353 -3.996 5.956 898 HA ILE 113 HA ILE 113 5.786 -1.632 6.436 899 HB ILE 113 HB ILE 113 5.743 -4.410 7.605 900 1HG1 ILE 113 2HG1 ILE 113 4.861 -4.090 5.318 901 2HG1 ILE 113 1HG1 ILE 113 3.603 -4.570 6.453 902 1HG2 ILE 113 1HG2 ILE 113 4.346 -1.957 8.538 903 2HG2 ILE 113 2HG2 ILE 113 4.973 -3.323 9.460 904 3HG2 ILE 113 3HG2 ILE 113 3.467 -3.486 8.558 905 1HD1 ILE 113 1HD1 ILE 113 3.728 -1.729 6.376 906 2HD1 ILE 113 2HD1 ILE 113 2.409 -2.799 5.896 907 3HD1 ILE 113 3HD1 ILE 113 3.650 -2.347 4.727 908 H LYS 114 H LYS 114 7.479 -3.779 8.726 909 HA LYS 114 HA LYS 114 7.528 -2.117 10.894 910 1HB LYS 114 2HB LYS 114 9.429 -3.395 11.715 911 2HB LYS 114 1HB LYS 114 8.193 -4.436 11.015 912 1HG LYS 114 2HG LYS 114 9.774 -5.330 9.799 913 2HG LYS 114 1HG LYS 114 9.829 -3.812 8.905 914 1HD LYS 114 2HD LYS 114 11.447 -3.021 10.732 915 2HD LYS 114 1HD LYS 114 11.595 -4.728 11.153 916 1HE LYS 114 2HE LYS 114 11.877 -4.139 8.292 917 2HE LYS 114 1HE LYS 114 13.129 -3.435 9.313 918 1HZ LYS 114 1HZ LYS 114 13.668 -5.582 10.165 919 2HZ LYS 114 2HZ LYS 114 13.657 -5.688 8.477 920 3HZ LYS 114 3HZ LYS 114 12.359 -6.300 9.371 921 H HIS 115 H HIS 115 9.316 -1.765 8.000 922 HA HIS 115 HA HIS 115 11.312 -0.033 9.204 923 1HB HIS 115 2HB HIS 115 11.724 -1.694 7.277 924 2HB HIS 115 1HB HIS 115 10.967 -0.475 6.257 925 HD1 HIS 115 1HD HIS 115 12.342 1.938 7.918 926 HD2 HIS 115 2HD HIS 115 14.235 -1.294 6.116 927 HE1 HIS 115 1HE HIS 115 14.707 2.687 7.508 928 HE2 HIS 115 2HE HIS 115 15.856 0.685 6.497 929 H ALA 116 H ALA 116 8.337 0.166 7.428 930 HA ALA 116 HA ALA 116 8.622 2.916 6.654 931 1HB ALA 116 1HB ALA 116 5.930 1.697 6.817 932 2HB ALA 116 2HB ALA 116 7.086 0.945 5.719 933 3HB ALA 116 3HB ALA 116 6.671 2.648 5.530 934 H PHE 117 H PHE 117 7.145 1.172 9.328 935 HA PHE 117 HA PHE 117 5.855 3.507 10.407 936 1HB PHE 117 2HB PHE 117 6.232 0.686 11.383 937 2HB PHE 117 1HB PHE 117 5.538 1.928 12.419 938 HD1 PHE 117 1HD PHE 117 3.339 2.828 11.981 939 HD2 PHE 117 2HD PHE 117 5.033 -0.143 9.450 940 HE1 PHE 117 1HE PHE 117 1.128 2.427 10.981 941 HE2 PHE 117 2HE PHE 117 2.829 -0.550 8.446 942 HZ PHE 117 HZ PHE 117 0.871 0.740 9.211 943 H GLU 118 H GLU 118 8.691 1.546 11.260 944 HA GLU 118 HA GLU 118 9.440 2.839 13.591 945 1HB GLU 118 2HB GLU 118 11.056 1.468 11.464 946 2HB GLU 118 1HB GLU 118 11.806 2.146 12.903 947 1HG GLU 118 2HG GLU 118 10.580 0.678 14.324 948 2HG GLU 118 1HG GLU 118 9.594 0.113 12.977 949 H GLU 119 H GLU 119 10.465 3.582 10.264 950 HA GLU 119 HA GLU 119 11.898 5.929 11.097 951 1HB GLU 119 2HB GLU 119 11.181 4.858 8.372 952 2HB GLU 119 1HB GLU 119 12.145 6.306 8.630 953 1HG GLU 119 2HG GLU 119 13.073 3.911 10.054 954 2HG GLU 119 1HG GLU 119 13.165 3.833 8.296 955 H TYR 120 H TYR 120 8.661 5.332 10.766 956 HA TYR 120 HA TYR 120 8.111 8.186 10.460 957 1HB TYR 120 2HB TYR 120 7.647 6.390 8.387 958 2HB TYR 120 1HB TYR 120 6.069 6.582 9.143 959 HD1 TYR 120 1HD TYR 120 4.827 7.949 7.735 960 HD2 TYR 120 2HD TYR 120 8.837 9.035 8.651 961 HE1 TYR 120 1HE TYR 120 4.517 10.077 6.542 962 HE2 TYR 120 2HE TYR 120 8.537 11.166 7.462 963 HH TYR 120 HH TYR 120 5.583 12.409 6.628 964 H SER 121 H SER 121 8.175 6.819 12.838 965 HA SER 121 HA SER 121 5.420 6.134 13.516 966 1HB SER 121 2HB SER 121 7.304 4.708 14.323 967 2HB SER 121 1HB SER 121 7.881 6.073 15.278 968 HG SER 121 HG SER 121 5.725 6.036 16.264 Start of MODEL 25 1 1H MET 1 1HT MET 1 -3.370 -1.254 17.573 2 2H MET 1 2HT MET 1 -4.665 -0.313 16.951 3 3H MET 1 3HT MET 1 -3.987 0.062 18.482 4 HA MET 1 HA MET 1 -3.340 1.505 16.580 5 1HB MET 1 2HB MET 1 -1.066 1.681 17.441 6 2HB MET 1 1HB MET 1 -2.191 1.390 18.760 7 1HG MET 1 2HG MET 1 -1.490 -0.835 19.011 8 2HG MET 1 1HG MET 1 -0.657 -0.833 17.458 9 1HE MET 1 1HE MET 1 1.383 -1.830 18.253 10 2HE MET 1 2HE MET 1 2.712 -0.883 18.919 11 3HE MET 1 3HE MET 1 2.024 -0.455 17.353 12 H LYS 2 H LYS 2 -1.423 1.705 15.074 13 HA LYS 2 HA LYS 2 -0.329 1.086 13.180 14 1HB LYS 2 2HB LYS 2 -0.438 -1.712 14.316 15 2HB LYS 2 1HB LYS 2 0.648 -1.131 13.062 16 1HG LYS 2 2HG LYS 2 0.612 -0.132 15.901 17 2HG LYS 2 1HG LYS 2 1.727 -1.343 15.267 18 1HD LYS 2 2HD LYS 2 1.821 0.868 13.509 19 2HD LYS 2 1HD LYS 2 1.906 1.511 15.150 20 1HE LYS 2 2HE LYS 2 3.581 -0.854 14.551 21 2HE LYS 2 1HE LYS 2 4.055 0.668 13.795 22 1HZ LYS 2 1HZ LYS 2 3.421 0.777 16.632 23 2HZ LYS 2 2HZ LYS 2 4.638 1.567 15.764 24 3HZ LYS 2 3HZ LYS 2 4.839 -0.049 16.218 25 H ARG 3 H ARG 3 -1.108 0.897 11.185 26 HA ARG 3 HA ARG 3 -2.894 -1.204 10.402 27 1HB ARG 3 2HB ARG 3 -4.516 0.795 9.561 28 2HB ARG 3 1HB ARG 3 -4.775 -0.126 11.033 29 1HG ARG 3 2HG ARG 3 -5.041 2.160 11.574 30 2HG ARG 3 1HG ARG 3 -3.503 1.639 12.263 31 1HD ARG 3 2HD ARG 3 -2.266 2.727 10.571 32 2HD ARG 3 1HD ARG 3 -3.700 2.968 9.574 33 HE ARG 3 HE ARG 3 -4.177 4.854 10.778 34 1HH1 ARG 3 1HH1 ARG 3 -1.825 2.965 12.533 35 2HH1 ARG 3 2HH1 ARG 3 -1.542 4.193 13.722 36 1HH2 ARG 3 1HH2 ARG 3 -3.807 6.469 12.343 37 2HH2 ARG 3 2HH2 ARG 3 -2.665 6.181 13.613 38 H VAL 4 H VAL 4 -2.492 -1.666 8.313 39 HA VAL 4 HA VAL 4 -1.295 0.461 6.649 40 HB VAL 4 HB VAL 4 -0.835 -2.513 6.371 41 1HG1 VAL 4 1HG1 VAL 4 1.168 -0.890 5.154 42 2HG1 VAL 4 2HG1 VAL 4 -0.413 -0.352 4.592 43 3HG1 VAL 4 3HG1 VAL 4 0.064 -2.038 4.396 44 1HG2 VAL 4 1HG2 VAL 4 1.026 -0.415 7.490 45 2HG2 VAL 4 2HG2 VAL 4 1.377 -2.132 7.292 46 3HG2 VAL 4 3HG2 VAL 4 0.152 -1.610 8.448 47 H LEU 5 H LEU 5 -2.028 0.701 4.544 48 HA LEU 5 HA LEU 5 -4.597 -0.575 3.989 49 1HB LEU 5 2HB LEU 5 -4.283 1.942 3.919 50 2HB LEU 5 1HB LEU 5 -3.331 1.693 2.467 51 HG LEU 5 HG LEU 5 -5.266 0.709 1.341 52 1HD1 LEU 5 1HD1 LEU 5 -7.505 1.111 2.606 53 2HD1 LEU 5 2HD1 LEU 5 -6.488 1.022 4.045 54 3HD1 LEU 5 3HD1 LEU 5 -6.558 -0.342 2.928 55 1HD2 LEU 5 1HD2 LEU 5 -6.782 2.808 1.520 56 2HD2 LEU 5 2HD2 LEU 5 -5.143 2.975 0.893 57 3HD2 LEU 5 3HD2 LEU 5 -5.500 3.431 2.558 58 H VAL 6 H VAL 6 -4.909 -1.986 2.382 59 HA VAL 6 HA VAL 6 -2.650 -2.491 0.555 60 HB VAL 6 HB VAL 6 -4.728 -4.506 1.398 61 1HG1 VAL 6 1HG1 VAL 6 -3.798 -5.073 -0.710 62 2HG1 VAL 6 2HG1 VAL 6 -3.005 -6.096 0.488 63 3HG1 VAL 6 3HG1 VAL 6 -2.165 -4.692 -0.167 64 1HG2 VAL 6 1HG2 VAL 6 -3.193 -5.414 2.949 65 2HG2 VAL 6 2HG2 VAL 6 -3.230 -3.679 3.262 66 3HG2 VAL 6 3HG2 VAL 6 -1.884 -4.384 2.368 67 H VAL 7 H VAL 7 -3.401 -1.084 -1.048 68 HA VAL 7 HA VAL 7 -6.060 -1.455 -2.118 69 HB VAL 7 HB VAL 7 -3.849 0.276 -3.227 70 1HG1 VAL 7 1HG1 VAL 7 -6.201 -0.430 -4.396 71 2HG1 VAL 7 2HG1 VAL 7 -5.312 1.056 -4.729 72 3HG1 VAL 7 3HG1 VAL 7 -6.643 1.066 -3.573 73 1HG2 VAL 7 1HG2 VAL 7 -6.057 1.077 -1.338 74 2HG2 VAL 7 2HG2 VAL 7 -4.788 2.116 -1.989 75 3HG2 VAL 7 3HG2 VAL 7 -4.376 0.819 -0.868 76 H ASP 8 H ASP 8 -6.476 -3.094 -3.412 77 HA ASP 8 HA ASP 8 -4.694 -3.638 -5.649 78 1HB ASP 8 2HB ASP 8 -3.879 -5.196 -3.998 79 2HB ASP 8 1HB ASP 8 -5.513 -5.721 -3.612 80 H ASP 9 H ASP 9 -5.767 -4.207 -7.473 81 HA ASP 9 HA ASP 9 -8.457 -3.693 -7.775 82 1HB ASP 9 2HB ASP 9 -6.979 -3.760 -9.683 83 2HB ASP 9 1HB ASP 9 -6.670 -5.475 -9.442 84 H GLU 10 H GLU 10 -6.950 -6.578 -6.594 85 HA GLU 10 HA GLU 10 -8.938 -8.470 -7.118 86 1HB GLU 10 2HB GLU 10 -6.518 -8.526 -5.881 87 2HB GLU 10 1HB GLU 10 -7.593 -8.680 -4.499 88 1HG GLU 10 2HG GLU 10 -8.725 -10.515 -6.001 89 2HG GLU 10 1HG GLU 10 -7.138 -10.541 -6.769 90 H GLU 11 H GLU 11 -9.704 -9.476 -4.606 91 HA GLU 11 HA GLU 11 -11.202 -7.346 -3.297 92 1HB GLU 11 2HB GLU 11 -12.464 -8.537 -5.317 93 2HB GLU 11 1HB GLU 11 -12.795 -9.738 -4.076 94 1HG GLU 11 2HG GLU 11 -13.572 -7.697 -2.675 95 2HG GLU 11 1HG GLU 11 -13.681 -6.894 -4.242 96 H SER 12 H SER 12 -11.987 -7.884 -1.236 97 HA SER 12 HA SER 12 -11.888 -8.857 0.815 98 1HB SER 12 2HB SER 12 -11.639 -11.519 -0.578 99 2HB SER 12 1HB SER 12 -12.415 -11.158 0.964 100 HG SER 12 HG SER 12 -13.809 -11.465 -0.966 101 H ILE 13 H ILE 13 -9.740 -7.873 1.034 102 HA ILE 13 HA ILE 13 -7.559 -7.836 1.547 103 HB ILE 13 HB ILE 13 -7.973 -10.667 2.330 104 1HG1 ILE 13 2HG1 ILE 13 -9.814 -9.169 3.160 105 2HG1 ILE 13 1HG1 ILE 13 -8.903 -9.995 4.419 106 1HG2 ILE 13 1HG2 ILE 13 -5.744 -10.261 2.678 107 2HG2 ILE 13 2HG2 ILE 13 -6.416 -9.801 4.243 108 3HG2 ILE 13 3HG2 ILE 13 -6.013 -8.560 3.056 109 1HD1 ILE 13 1HD1 ILE 13 -7.512 -7.796 4.463 110 2HD1 ILE 13 2HD1 ILE 13 -9.078 -7.877 5.270 111 3HD1 ILE 13 3HD1 ILE 13 -8.939 -7.111 3.688 112 H THR 14 H THR 14 -5.448 -8.652 1.139 113 HA THR 14 HA THR 14 -5.242 -9.935 -1.470 114 HB THR 14 HB THR 14 -2.867 -9.204 -1.371 115 HG1 THR 14 1HG THR 14 -3.614 -7.911 1.035 116 1HG2 THR 14 1HG2 THR 14 -3.204 -6.860 -1.617 117 2HG2 THR 14 2HG2 THR 14 -4.705 -6.924 -0.693 118 3HG2 THR 14 3HG2 THR 14 -4.614 -7.685 -2.282 119 H SER 15 H SER 15 -4.024 -11.824 -1.834 120 HA SER 15 HA SER 15 -4.078 -13.714 0.271 121 1HB SER 15 2HB SER 15 -3.992 -13.871 -2.458 122 2HB SER 15 1HB SER 15 -2.355 -14.365 -2.024 123 HG SER 15 HG SER 15 -3.481 -15.812 -0.468 124 H SER 16 H SER 16 -2.532 -14.492 1.590 125 HA SER 16 HA SER 16 -0.473 -14.879 2.521 126 1HB SER 16 2HB SER 16 0.924 -12.951 0.712 127 2HB SER 16 1HB SER 16 1.502 -14.469 1.397 128 HG SER 16 HG SER 16 0.134 -15.567 -0.052 129 H LEU 17 H LEU 17 -1.850 -11.784 2.043 130 HA LEU 17 HA LEU 17 -0.088 -10.457 3.923 131 1HB LEU 17 2HB LEU 17 -1.983 -9.661 1.923 132 2HB LEU 17 1HB LEU 17 -2.425 -8.916 3.440 133 HG LEU 17 HG LEU 17 -0.572 -7.977 1.581 134 1HD1 LEU 17 1HD1 LEU 17 -0.642 -6.098 2.837 135 2HD1 LEU 17 2HD1 LEU 17 -0.445 -6.969 4.358 136 3HD1 LEU 17 3HD1 LEU 17 -2.013 -6.947 3.552 137 1HD2 LEU 17 1HD2 LEU 17 1.554 -7.923 2.645 138 2HD2 LEU 17 2HD2 LEU 17 1.063 -9.614 2.542 139 3HD2 LEU 17 3HD2 LEU 17 0.930 -8.748 4.073 140 H SER 18 H SER 18 -3.522 -11.372 3.783 141 HA SER 18 HA SER 18 -4.398 -10.508 6.224 142 1HB SER 18 2HB SER 18 -5.488 -12.024 4.265 143 2HB SER 18 1HB SER 18 -5.275 -13.246 5.519 144 HG SER 18 HG SER 18 -7.163 -11.393 5.342 145 H ALA 19 H ALA 19 -2.940 -13.697 5.588 146 HA ALA 19 HA ALA 19 -2.934 -14.638 8.210 147 1HB ALA 19 1HB ALA 19 -1.467 -15.290 5.727 148 2HB ALA 19 2HB ALA 19 -2.409 -16.329 6.797 149 3HB ALA 19 3HB ALA 19 -0.766 -15.869 7.238 150 H ILE 20 H ILE 20 -0.579 -12.664 6.486 151 HA ILE 20 HA ILE 20 1.408 -12.679 8.507 152 HB ILE 20 HB ILE 20 0.884 -10.809 6.202 153 1HG1 ILE 20 2HG1 ILE 20 3.073 -12.838 6.656 154 2HG1 ILE 20 1HG1 ILE 20 1.608 -13.147 5.729 155 1HG2 ILE 20 1HG2 ILE 20 2.775 -10.544 8.437 156 2HG2 ILE 20 2HG2 ILE 20 2.112 -9.320 7.355 157 3HG2 ILE 20 3HG2 ILE 20 3.462 -10.324 6.828 158 1HD1 ILE 20 1HD1 ILE 20 3.540 -12.624 4.316 159 2HD1 ILE 20 2HD1 ILE 20 3.650 -11.038 5.078 160 3HD1 ILE 20 3HD1 ILE 20 2.229 -11.462 4.125 161 H LEU 21 H LEU 21 -0.546 -9.876 7.472 162 HA LEU 21 HA LEU 21 -0.075 -8.215 9.586 163 1HB LEU 21 2HB LEU 21 -2.747 -8.563 8.236 164 2HB LEU 21 1HB LEU 21 -2.180 -7.131 9.077 165 HG LEU 21 HG LEU 21 -0.363 -7.942 6.959 166 1HD1 LEU 21 1HD1 LEU 21 -1.757 -8.366 5.301 167 2HD1 LEU 21 2HD1 LEU 21 -2.463 -6.765 5.502 168 3HD1 LEU 21 3HD1 LEU 21 -3.144 -8.143 6.366 169 1HD2 LEU 21 1HD2 LEU 21 -1.839 -5.441 7.726 170 2HD2 LEU 21 2HD2 LEU 21 -0.774 -5.533 6.322 171 3HD2 LEU 21 3HD2 LEU 21 -0.128 -5.813 7.939 172 H GLU 22 H GLU 22 -2.142 -11.025 9.506 173 HA GLU 22 HA GLU 22 -3.570 -10.510 11.901 174 1HB GLU 22 2HB GLU 22 -3.160 -12.844 10.122 175 2HB GLU 22 1HB GLU 22 -3.712 -13.164 11.760 176 1HG GLU 22 2HG GLU 22 -5.358 -11.126 10.966 177 2HG GLU 22 1HG GLU 22 -5.145 -12.053 9.482 178 H GLU 23 H GLU 23 -0.461 -11.929 11.182 179 HA GLU 23 HA GLU 23 -0.099 -13.018 13.824 180 1HB GLU 23 2HB GLU 23 1.024 -14.206 12.123 181 2HB GLU 23 1HB GLU 23 1.648 -12.736 11.389 182 1HG GLU 23 2HG GLU 23 3.468 -12.744 12.661 183 2HG GLU 23 1HG GLU 23 2.552 -13.097 14.124 184 H GLU 24 H GLU 24 0.793 -10.135 12.043 185 HA GLU 24 HA GLU 24 2.458 -9.132 14.183 186 1HB GLU 24 2HB GLU 24 1.578 -7.942 11.557 187 2HB GLU 24 1HB GLU 24 2.580 -7.080 12.718 188 1HG GLU 24 2HG GLU 24 3.365 -9.755 11.613 189 2HG GLU 24 1HG GLU 24 3.752 -8.245 10.789 190 H GLY 25 H GLY 25 1.988 -6.637 14.653 191 1HA GLY 25 2HA GLY 25 -0.703 -6.617 15.809 192 2HA GLY 25 1HA GLY 25 0.630 -5.568 16.270 193 H TYR 26 H TYR 26 -0.311 -6.137 12.948 194 HA TYR 26 HA TYR 26 -0.862 -3.290 12.655 195 1HB TYR 26 2HB TYR 26 -0.550 -5.474 10.586 196 2HB TYR 26 1HB TYR 26 -0.797 -3.770 10.223 197 HD1 TYR 26 1HD TYR 26 0.952 -2.160 11.421 198 HD2 TYR 26 2HD TYR 26 1.606 -6.271 10.561 199 HE1 TYR 26 1HE TYR 26 3.377 -1.784 11.511 200 HE2 TYR 26 2HE TYR 26 4.033 -5.912 10.649 201 HH TYR 26 HH TYR 26 5.619 -4.289 11.700 202 H HIS 27 H HIS 27 -2.539 -3.046 10.664 203 HA HIS 27 HA HIS 27 -4.903 -4.678 11.035 204 1HB HIS 27 2HB HIS 27 -4.638 -2.394 12.580 205 2HB HIS 27 1HB HIS 27 -5.585 -1.840 11.207 206 HD1 HIS 27 1HD HIS 27 -5.748 -4.057 14.198 207 HD2 HIS 27 2HD HIS 27 -8.170 -2.939 11.012 208 HE1 HIS 27 1HE HIS 27 -8.053 -4.869 14.789 209 HE2 HIS 27 2HE HIS 27 -9.481 -4.267 12.803 210 HA PRO 28 HA PRO 28 -4.371 -3.358 6.714 211 1HB PRO 28 2HB PRO 28 -5.490 -5.553 5.610 212 2HB PRO 28 1HB PRO 28 -3.814 -5.506 6.165 213 1HG PRO 28 2HG PRO 28 -6.223 -6.655 7.508 214 2HG PRO 28 1HG PRO 28 -4.577 -7.302 7.416 215 1HD PRO 28 2HD PRO 28 -5.568 -5.990 9.598 216 2HD PRO 28 1HD PRO 28 -3.847 -6.021 9.174 217 H ASP 29 H ASP 29 -5.756 -2.292 5.429 218 HA ASP 29 HA ASP 29 -8.597 -2.499 6.094 219 1HB ASP 29 2HB ASP 29 -6.924 -0.231 6.102 220 2HB ASP 29 1HB ASP 29 -8.094 -0.025 4.805 221 H THR 30 H THR 30 -6.530 -3.292 3.786 222 HA THR 30 HA THR 30 -6.608 -3.167 1.432 223 HB THR 30 HB THR 30 -7.747 -5.200 0.778 224 HG1 THR 30 1HG THR 30 -9.028 -4.900 3.278 225 1HG2 THR 30 1HG2 THR 30 -5.915 -6.073 1.706 226 2HG2 THR 30 2HG2 THR 30 -7.014 -6.577 2.989 227 3HG2 THR 30 3HG2 THR 30 -6.066 -5.102 3.170 228 H ALA 31 H ALA 31 -7.389 -2.035 -0.149 229 HA ALA 31 HA ALA 31 -10.294 -1.660 -0.389 230 1HB ALA 31 1HB ALA 31 -9.881 0.458 0.321 231 2HB ALA 31 2HB ALA 31 -9.447 0.684 -1.374 232 3HB ALA 31 3HB ALA 31 -8.188 0.407 -0.170 233 H LYS 32 H LYS 32 -10.967 -1.085 -2.610 234 HA LYS 32 HA LYS 32 -9.550 -2.666 -4.535 235 1HB LYS 32 2HB LYS 32 -11.779 -0.734 -5.159 236 2HB LYS 32 1HB LYS 32 -11.329 -2.189 -6.033 237 1HG LYS 32 2HG LYS 32 -12.130 -3.572 -4.225 238 2HG LYS 32 1HG LYS 32 -12.486 -2.143 -3.253 239 1HD LYS 32 2HD LYS 32 -14.053 -1.422 -5.087 240 2HD LYS 32 1HD LYS 32 -13.816 -3.013 -5.812 241 1HE LYS 32 2HE LYS 32 -14.420 -3.739 -3.296 242 2HE LYS 32 1HE LYS 32 -15.323 -2.228 -3.396 243 1HZ LYS 32 1HZ LYS 32 -16.012 -3.351 -5.698 244 2HZ LYS 32 2HZ LYS 32 -16.879 -3.583 -4.264 245 3HZ LYS 32 3HZ LYS 32 -15.762 -4.747 -4.776 246 H THR 33 H THR 33 -9.707 -1.248 -6.895 247 HA THR 33 HA THR 33 -7.333 0.054 -7.043 248 HB THR 33 HB THR 33 -7.987 0.871 -9.178 249 HG1 THR 33 1HG THR 33 -10.614 0.734 -8.150 250 1HG2 THR 33 1HG2 THR 33 -8.106 -1.674 -8.788 251 2HG2 THR 33 2HG2 THR 33 -8.789 -0.997 -10.266 252 3HG2 THR 33 3HG2 THR 33 -9.849 -1.448 -8.932 253 H LEU 34 H LEU 34 -6.804 2.270 -7.495 254 HA LEU 34 HA LEU 34 -6.877 4.032 -5.573 255 1HB LEU 34 2HB LEU 34 -7.457 5.115 -8.309 256 2HB LEU 34 1HB LEU 34 -6.409 5.775 -7.067 257 HG LEU 34 HG LEU 34 -5.861 3.305 -8.718 258 1HD1 LEU 34 1HD1 LEU 34 -3.876 4.823 -9.394 259 2HD1 LEU 34 2HD1 LEU 34 -4.926 6.135 -8.863 260 3HD1 LEU 34 3HD1 LEU 34 -5.448 5.056 -10.156 261 1HD2 LEU 34 1HD2 LEU 34 -4.992 3.735 -6.180 262 2HD2 LEU 34 2HD2 LEU 34 -3.712 4.501 -7.121 263 3HD2 LEU 34 3HD2 LEU 34 -4.117 2.808 -7.398 264 H ARG 35 H ARG 35 -9.601 3.802 -7.851 265 HA ARG 35 HA ARG 35 -11.124 5.927 -6.973 266 1HB ARG 35 2HB ARG 35 -11.523 3.737 -8.645 267 2HB ARG 35 1HB ARG 35 -12.765 3.559 -7.413 268 1HG ARG 35 2HG ARG 35 -13.668 4.799 -9.245 269 2HG ARG 35 1HG ARG 35 -13.480 5.887 -7.869 270 1HD ARG 35 2HD ARG 35 -11.991 7.171 -8.941 271 2HD ARG 35 1HD ARG 35 -11.135 5.781 -9.607 272 HE ARG 35 HE ARG 35 -13.134 7.359 -10.908 273 1HH1 ARG 35 1HH1 ARG 35 -11.728 4.169 -10.740 274 2HH1 ARG 35 2HH1 ARG 35 -12.168 3.754 -12.362 275 1HH2 ARG 35 1HH2 ARG 35 -13.715 6.814 -13.041 276 2HH2 ARG 35 2HH2 ARG 35 -13.298 5.253 -13.669 277 H GLU 36 H GLU 36 -11.503 2.564 -5.847 278 HA GLU 36 HA GLU 36 -13.120 3.247 -3.635 279 1HB GLU 36 2HB GLU 36 -12.741 0.953 -4.828 280 2HB GLU 36 1HB GLU 36 -11.426 0.775 -3.674 281 1HG GLU 36 2HG GLU 36 -13.053 -0.207 -2.463 282 2HG GLU 36 1HG GLU 36 -13.358 1.460 -1.978 283 H ALA 37 H ALA 37 -9.634 2.902 -4.051 284 HA ALA 37 HA ALA 37 -8.921 2.867 -1.328 285 1HB ALA 37 1HB ALA 37 -7.002 4.299 -2.963 286 2HB ALA 37 2HB ALA 37 -7.558 2.823 -3.751 287 3HB ALA 37 3HB ALA 37 -6.844 2.747 -2.141 288 H GLU 38 H GLU 38 -8.733 5.631 -3.581 289 HA GLU 38 HA GLU 38 -8.211 7.637 -1.817 290 1HB GLU 38 2HB GLU 38 -9.951 7.631 -4.269 291 2HB GLU 38 1HB GLU 38 -9.634 9.103 -3.361 292 1HG GLU 38 2HG GLU 38 -7.243 8.835 -3.745 293 2HG GLU 38 1HG GLU 38 -7.549 7.346 -4.637 294 H LYS 39 H LYS 39 -11.353 6.163 -2.483 295 HA LYS 39 HA LYS 39 -12.903 7.896 -0.895 296 1HB LYS 39 2HB LYS 39 -13.879 6.300 -2.499 297 2HB LYS 39 1HB LYS 39 -13.350 4.963 -1.487 298 1HG LYS 39 2HG LYS 39 -15.139 7.078 -0.369 299 2HG LYS 39 1HG LYS 39 -15.801 5.773 -1.355 300 1HD LYS 39 2HD LYS 39 -14.282 4.331 0.316 301 2HD LYS 39 1HD LYS 39 -14.639 5.703 1.366 302 1HE LYS 39 2HE LYS 39 -16.359 4.172 1.793 303 2HE LYS 39 1HE LYS 39 -17.077 5.355 0.701 304 1HZ LYS 39 1HZ LYS 39 -15.833 3.039 -0.544 305 2HZ LYS 39 2HZ LYS 39 -17.259 3.853 -0.952 306 3HZ LYS 39 3HZ LYS 39 -17.254 2.741 0.323 307 H LYS 40 H LYS 40 -11.458 4.725 -0.152 308 HA LYS 40 HA LYS 40 -12.176 4.688 2.565 309 1HB LYS 40 2HB LYS 40 -10.061 3.288 0.970 310 2HB LYS 40 1HB LYS 40 -10.158 3.081 2.714 311 1HG LYS 40 2HG LYS 40 -12.367 2.481 0.758 312 2HG LYS 40 1HG LYS 40 -11.304 1.290 1.509 313 1HD LYS 40 2HD LYS 40 -12.275 2.717 3.660 314 2HD LYS 40 1HD LYS 40 -13.663 2.628 2.575 315 1HE LYS 40 2HE LYS 40 -13.818 0.714 3.930 316 2HE LYS 40 1HE LYS 40 -13.169 0.142 2.394 317 1HZ LYS 40 1HZ LYS 40 -11.207 -0.392 3.322 318 2HZ LYS 40 2HZ LYS 40 -12.105 -0.455 4.755 319 3HZ LYS 40 3HZ LYS 40 -11.204 0.927 4.381 320 H ILE 41 H ILE 41 -9.434 6.082 0.878 321 HA ILE 41 HA ILE 41 -8.063 6.747 3.344 322 HB ILE 41 HB ILE 41 -7.394 7.663 0.554 323 1HG1 ILE 41 2HG1 ILE 41 -5.814 5.493 1.772 324 2HG1 ILE 41 1HG1 ILE 41 -7.465 5.050 1.349 325 1HG2 ILE 41 1HG2 ILE 41 -5.972 7.724 3.184 326 2HG2 ILE 41 2HG2 ILE 41 -6.183 9.011 1.996 327 3HG2 ILE 41 3HG2 ILE 41 -5.060 7.690 1.674 328 1HD1 ILE 41 1HD1 ILE 41 -6.302 4.508 -0.555 329 2HD1 ILE 41 2HD1 ILE 41 -5.223 5.896 -0.419 330 3HD1 ILE 41 3HD1 ILE 41 -6.893 6.126 -0.936 331 H LYS 42 H LYS 42 -10.628 8.072 1.686 332 HA LYS 42 HA LYS 42 -9.931 10.841 2.258 333 1HB LYS 42 2HB LYS 42 -11.871 9.472 0.544 334 2HB LYS 42 1HB LYS 42 -12.491 10.914 1.335 335 1HG LYS 42 2HG LYS 42 -9.943 10.862 -0.256 336 2HG LYS 42 1HG LYS 42 -11.518 11.278 -0.937 337 1HD LYS 42 2HD LYS 42 -11.566 12.947 1.109 338 2HD LYS 42 1HD LYS 42 -9.814 12.785 0.983 339 1HE LYS 42 2HE LYS 42 -10.328 14.626 -0.367 340 2HE LYS 42 1HE LYS 42 -10.123 13.291 -1.501 341 1HZ LYS 42 1HZ LYS 42 -12.641 13.038 -1.286 342 2HZ LYS 42 2HZ LYS 42 -12.058 14.339 -2.196 343 3HZ LYS 42 3HZ LYS 42 -12.622 14.594 -0.622 344 H GLU 43 H GLU 43 -10.365 8.898 4.419 345 HA GLU 43 HA GLU 43 -12.312 10.459 5.914 346 1HB GLU 43 2HB GLU 43 -12.491 7.446 5.836 347 2HB GLU 43 1HB GLU 43 -13.555 8.549 6.696 348 1HG GLU 43 2HG GLU 43 -14.384 9.430 4.598 349 2HG GLU 43 1HG GLU 43 -13.270 8.397 3.704 350 H LEU 44 H LEU 44 -10.210 7.582 6.107 351 HA LEU 44 HA LEU 44 -9.468 8.375 8.828 352 1HB LEU 44 2HB LEU 44 -8.719 6.164 9.175 353 2HB LEU 44 1HB LEU 44 -10.239 6.031 8.315 354 HG LEU 44 HG LEU 44 -8.188 6.071 6.365 355 1HD1 LEU 44 1HD1 LEU 44 -7.567 3.690 7.910 356 2HD1 LEU 44 2HD1 LEU 44 -7.091 5.175 8.732 357 3HD1 LEU 44 3HD1 LEU 44 -6.492 4.835 7.111 358 1HD2 LEU 44 1HD2 LEU 44 -9.357 3.478 7.046 359 2HD2 LEU 44 2HD2 LEU 44 -9.424 4.395 5.542 360 3HD2 LEU 44 3HD2 LEU 44 -10.542 4.770 6.853 361 H PHE 45 H PHE 45 -7.021 7.410 9.195 362 HA PHE 45 HA PHE 45 -5.343 8.778 7.194 363 1HB PHE 45 2HB PHE 45 -5.632 9.980 9.405 364 2HB PHE 45 1HB PHE 45 -4.765 8.645 10.154 365 HD1 PHE 45 1HD PHE 45 -4.419 11.161 7.430 366 HD2 PHE 45 2HD PHE 45 -2.469 8.731 10.329 367 HE1 PHE 45 1HE PHE 45 -2.277 12.249 6.896 368 HE2 PHE 45 2HE PHE 45 -0.324 9.815 9.800 369 HZ PHE 45 HZ PHE 45 -0.225 11.577 8.083 370 H PHE 46 H PHE 46 -4.213 7.279 6.129 371 HA PHE 46 HA PHE 46 -3.345 4.869 7.533 372 1HB PHE 46 2HB PHE 46 -3.497 5.579 4.606 373 2HB PHE 46 1HB PHE 46 -2.747 4.099 5.196 374 HD1 PHE 46 1HD PHE 46 -5.738 5.574 4.082 375 HD2 PHE 46 2HD PHE 46 -4.225 2.640 6.765 376 HE1 PHE 46 1HE PHE 46 -7.941 4.475 4.117 377 HE2 PHE 46 2HE PHE 46 -6.424 1.536 6.808 378 HZ PHE 46 HZ PHE 46 -8.286 2.455 5.484 379 HA PRO 47 HA PRO 47 0.784 6.619 7.603 380 1HB PRO 47 2HB PRO 47 1.799 4.362 8.974 381 2HB PRO 47 1HB PRO 47 1.265 5.882 9.688 382 1HG PRO 47 2HG PRO 47 0.043 3.366 9.971 383 2HG PRO 47 1HG PRO 47 -0.625 4.929 10.464 384 1HD PRO 47 2HD PRO 47 -1.229 3.282 8.081 385 2HD PRO 47 1HD PRO 47 -2.248 4.453 8.938 386 H VAL 48 H VAL 48 -0.117 3.464 6.471 387 HA VAL 48 HA VAL 48 2.099 3.501 4.573 388 HB VAL 48 HB VAL 48 1.339 0.982 6.028 389 1HG1 VAL 48 1HG1 VAL 48 2.624 1.210 3.715 390 2HG1 VAL 48 2HG1 VAL 48 3.036 -0.024 4.904 391 3HG1 VAL 48 3HG1 VAL 48 3.993 1.454 4.800 392 1HG2 VAL 48 1HG2 VAL 48 2.161 2.257 7.772 393 2HG2 VAL 48 2HG2 VAL 48 3.315 3.104 6.741 394 3HG2 VAL 48 3HG2 VAL 48 3.600 1.421 7.187 395 H ILE 49 H ILE 49 1.483 2.988 2.588 396 HA ILE 49 HA ILE 49 -1.119 1.672 2.201 397 HB ILE 49 HB ILE 49 0.122 3.493 0.158 398 1HG1 ILE 49 2HG1 ILE 49 -0.058 4.846 2.169 399 2HG1 ILE 49 1HG1 ILE 49 -1.320 5.314 1.033 400 1HG2 ILE 49 1HG2 ILE 49 -2.690 2.558 0.702 401 2HG2 ILE 49 2HG2 ILE 49 -1.647 2.082 -0.639 402 3HG2 ILE 49 3HG2 ILE 49 -2.248 3.737 -0.534 403 1HD1 ILE 49 1HD1 ILE 49 -1.779 4.921 3.615 404 2HD1 ILE 49 2HD1 ILE 49 -2.021 3.269 3.047 405 3HD1 ILE 49 3HD1 ILE 49 -2.985 4.583 2.374 406 H VAL 50 H VAL 50 -1.303 0.241 0.421 407 HA VAL 50 HA VAL 50 1.199 -0.572 -0.867 408 HB VAL 50 HB VAL 50 -0.663 -2.513 0.512 409 1HG1 VAL 50 1HG1 VAL 50 1.891 -3.571 -0.319 410 2HG1 VAL 50 2HG1 VAL 50 1.001 -2.921 -1.696 411 3HG1 VAL 50 3HG1 VAL 50 0.265 -4.155 -0.674 412 1HG2 VAL 50 1HG2 VAL 50 1.071 -2.880 2.092 413 2HG2 VAL 50 2HG2 VAL 50 0.837 -1.135 1.985 414 3HG2 VAL 50 3HG2 VAL 50 2.206 -1.893 1.172 415 H LEU 51 H LEU 51 0.665 -0.058 -2.884 416 HA LEU 51 HA LEU 51 -1.967 -0.775 -3.920 417 1HB LEU 51 2HB LEU 51 -1.231 1.457 -4.426 418 2HB LEU 51 1HB LEU 51 0.279 0.862 -5.086 419 HG LEU 51 HG LEU 51 -1.323 -0.402 -6.763 420 1HD1 LEU 51 1HD1 LEU 51 -3.297 0.940 -7.300 421 2HD1 LEU 51 2HD1 LEU 51 -2.984 1.958 -5.895 422 3HD1 LEU 51 3HD1 LEU 51 -3.392 0.256 -5.677 423 1HD2 LEU 51 1HD2 LEU 51 -0.294 2.389 -6.777 424 2HD2 LEU 51 2HD2 LEU 51 -1.334 1.863 -8.101 425 3HD2 LEU 51 3HD2 LEU 51 0.172 1.006 -7.769 426 H ASP 52 H ASP 52 -2.325 -2.448 -5.214 427 HA ASP 52 HA ASP 52 0.003 -3.914 -6.262 428 1HB ASP 52 2HB ASP 52 -1.370 -5.111 -4.537 429 2HB ASP 52 1HB ASP 52 -2.734 -5.042 -5.648 430 H VAL 53 H VAL 53 0.249 -3.589 -8.368 431 HA VAL 53 HA VAL 53 -1.891 -2.671 -10.032 432 HB VAL 53 HB VAL 53 -0.288 -2.510 -11.790 433 1HG1 VAL 53 1HG1 VAL 53 0.047 -0.765 -10.273 434 2HG1 VAL 53 2HG1 VAL 53 1.665 -1.401 -10.571 435 3HG1 VAL 53 3HG1 VAL 53 0.810 -1.823 -9.086 436 1HG2 VAL 53 1HG2 VAL 53 1.252 -4.077 -12.130 437 2HG2 VAL 53 2HG2 VAL 53 0.885 -4.801 -10.566 438 3HG2 VAL 53 3HG2 VAL 53 2.111 -3.540 -10.686 439 H TRP 54 H TRP 54 -2.986 -4.888 -9.187 440 HA TRP 54 HA TRP 54 -2.343 -7.264 -10.571 441 1HB TRP 54 2HB TRP 54 -3.690 -7.333 -8.555 442 2HB TRP 54 1HB TRP 54 -4.942 -6.360 -9.314 443 HD1 TRP 54 HD TRP 54 -6.961 -7.870 -9.736 444 HE1 TRP 54 1HE TRP 54 -7.331 -10.247 -10.653 445 HE3 TRP 54 3HE TRP 54 -2.084 -9.268 -10.363 446 HZ2 TRP 54 2HZ TRP 54 -5.762 -12.426 -11.525 447 HZ3 TRP 54 3HZ TRP 54 -1.604 -11.514 -11.242 448 HH2 TRP 54 HH TRP 54 -3.407 -13.060 -11.810 449 H MET 55 H MET 55 -5.452 -5.625 -11.026 450 HA MET 55 HA MET 55 -4.981 -5.377 -13.880 451 1HB MET 55 2HB MET 55 -6.817 -7.377 -12.661 452 2HB MET 55 1HB MET 55 -7.376 -6.538 -14.102 453 1HG MET 55 2HG MET 55 -5.242 -7.241 -15.217 454 2HG MET 55 1HG MET 55 -4.928 -8.256 -13.810 455 1HE MET 55 1HE MET 55 -6.246 -11.130 -13.966 456 2HE MET 55 2HE MET 55 -7.857 -10.520 -13.593 457 3HE MET 55 3HE MET 55 -6.439 -9.770 -12.862 458 HA PRO 56 HA PRO 56 -7.930 -2.270 -11.918 459 1HB PRO 56 2HB PRO 56 -5.851 -0.281 -11.754 460 2HB PRO 56 1HB PRO 56 -6.753 -1.028 -10.437 461 1HG PRO 56 2HG PRO 56 -4.082 -1.414 -10.877 462 2HG PRO 56 1HG PRO 56 -5.127 -2.568 -10.034 463 1HD PRO 56 2HD PRO 56 -4.189 -2.588 -12.881 464 2HD PRO 56 1HD PRO 56 -4.316 -3.931 -11.728 465 H ASP 57 H ASP 57 -7.352 0.440 -12.615 466 HA ASP 57 HA ASP 57 -6.749 0.621 -15.406 467 1HB ASP 57 2HB ASP 57 -8.977 1.322 -16.163 468 2HB ASP 57 1HB ASP 57 -9.003 -0.333 -15.563 469 H GLY 58 H GLY 58 -5.993 1.865 -12.866 470 1HA GLY 58 2HA GLY 58 -6.579 4.657 -13.613 471 2HA GLY 58 1HA GLY 58 -6.671 4.143 -11.936 472 H ASP 59 H ASP 59 -4.872 5.986 -13.686 473 HA ASP 59 HA ASP 59 -2.257 5.006 -13.640 474 1HB ASP 59 2HB ASP 59 -3.270 7.192 -14.678 475 2HB ASP 59 1HB ASP 59 -2.813 7.908 -13.135 476 H GLY 60 H GLY 60 -1.374 4.132 -11.866 477 1HA GLY 60 2HA GLY 60 -1.974 4.980 -9.216 478 2HA GLY 60 1HA GLY 60 -0.698 3.869 -9.682 479 H VAL 61 H VAL 61 0.608 5.761 -11.476 480 HA VAL 61 HA VAL 61 2.441 6.911 -9.743 481 HB VAL 61 HB VAL 61 1.762 7.791 -12.556 482 1HG1 VAL 61 1HG1 VAL 61 4.519 8.030 -11.667 483 2HG1 VAL 61 2HG1 VAL 61 3.406 9.047 -10.756 484 3HG1 VAL 61 3HG1 VAL 61 3.494 9.189 -12.511 485 1HG2 VAL 61 1HG2 VAL 61 4.102 6.074 -12.005 486 2HG2 VAL 61 2HG2 VAL 61 3.003 6.089 -13.384 487 3HG2 VAL 61 3HG2 VAL 61 2.517 5.311 -11.878 488 H ASN 62 H ASN 62 -0.465 8.264 -11.212 489 HA ASN 62 HA ASN 62 -0.035 10.909 -10.201 490 1HB ASN 62 2HB ASN 62 -1.931 9.592 -11.926 491 2HB ASN 62 1HB ASN 62 -2.790 10.549 -10.722 492 1HD2 ASN 62 1HD2 ASN 62 -0.247 10.692 -13.156 493 2HD2 ASN 62 2HD2 ASN 62 -0.451 12.365 -13.531 494 H PHE 63 H PHE 63 -1.376 7.981 -8.985 495 HA PHE 63 HA PHE 63 -2.986 9.142 -6.923 496 1HB PHE 63 2HB PHE 63 -3.478 6.916 -7.800 497 2HB PHE 63 1HB PHE 63 -1.905 6.336 -7.267 498 HD1 PHE 63 1HD PHE 63 -4.720 8.224 -5.698 499 HD2 PHE 63 2HD PHE 63 -2.025 4.940 -5.465 500 HE1 PHE 63 1HE PHE 63 -5.700 7.578 -3.535 501 HE2 PHE 63 2HE PHE 63 -2.999 4.287 -3.303 502 HZ PHE 63 HZ PHE 63 -4.842 5.605 -2.338 503 H ILE 64 H ILE 64 0.337 8.125 -7.243 504 HA ILE 64 HA ILE 64 1.129 7.778 -4.625 505 HB ILE 64 HB ILE 64 2.844 9.347 -6.531 506 1HG1 ILE 64 2HG1 ILE 64 2.058 7.607 -7.946 507 2HG1 ILE 64 1HG1 ILE 64 3.633 7.080 -7.373 508 1HG2 ILE 64 1HG2 ILE 64 4.609 8.624 -5.300 509 2HG2 ILE 64 2HG2 ILE 64 3.833 7.098 -4.873 510 3HG2 ILE 64 3HG2 ILE 64 3.369 8.586 -4.046 511 1HD1 ILE 64 1HD1 ILE 64 1.029 6.197 -6.164 512 2HD1 ILE 64 2HD1 ILE 64 2.639 5.552 -5.845 513 3HD1 ILE 64 3HD1 ILE 64 1.890 5.313 -7.423 514 H ASP 65 H ASP 65 0.440 10.756 -6.337 515 HA ASP 65 HA ASP 65 1.512 12.501 -4.356 516 1HB ASP 65 2HB ASP 65 1.082 13.087 -6.783 517 2HB ASP 65 1HB ASP 65 -0.631 13.168 -6.379 518 H PHE 66 H PHE 66 -1.693 11.167 -5.009 519 HA PHE 66 HA PHE 66 -3.196 12.678 -3.229 520 1HB PHE 66 2HB PHE 66 -4.268 11.179 -4.792 521 2HB PHE 66 1HB PHE 66 -3.494 9.782 -4.053 522 HD1 PHE 66 1HD PHE 66 -4.116 9.191 -1.671 523 HD2 PHE 66 2HD PHE 66 -6.336 11.947 -4.033 524 HE1 PHE 66 1HE PHE 66 -6.049 8.907 -0.177 525 HE2 PHE 66 2HE PHE 66 -8.274 11.670 -2.542 526 HZ PHE 66 HZ PHE 66 -8.132 10.148 -0.612 527 H ILE 67 H ILE 67 -1.310 9.731 -2.668 528 HA ILE 67 HA ILE 67 -2.019 9.327 0.013 529 HB ILE 67 HB ILE 67 0.506 8.614 -1.485 530 1HG1 ILE 67 2HG1 ILE 67 -0.619 6.275 -1.027 531 2HG1 ILE 67 1HG1 ILE 67 -2.079 7.243 -0.848 532 1HG2 ILE 67 1HG2 ILE 67 1.407 8.428 0.583 533 2HG2 ILE 67 2HG2 ILE 67 0.527 6.900 0.582 534 3HG2 ILE 67 3HG2 ILE 67 -0.164 8.315 1.376 535 1HD1 ILE 67 1HD1 ILE 67 -0.481 7.809 -3.246 536 2HD1 ILE 67 2HD1 ILE 67 -2.226 7.651 -3.048 537 3HD1 ILE 67 3HD1 ILE 67 -1.220 6.209 -3.175 538 H LYS 68 H LYS 68 0.659 11.181 -1.421 539 HA LYS 68 HA LYS 68 1.577 12.097 1.154 540 1HB LYS 68 2HB LYS 68 2.321 12.944 -1.653 541 2HB LYS 68 1HB LYS 68 3.114 13.525 -0.195 542 1HG LYS 68 2HG LYS 68 3.382 10.903 0.209 543 2HG LYS 68 1HG LYS 68 3.316 10.909 -1.555 544 1HD LYS 68 2HD LYS 68 5.130 12.758 -0.036 545 2HD LYS 68 1HD LYS 68 5.617 11.113 -0.447 546 1HE LYS 68 2HE LYS 68 6.427 12.206 -2.276 547 2HE LYS 68 1HE LYS 68 4.795 11.859 -2.848 548 1HZ LYS 68 1HZ LYS 68 4.218 14.018 -2.778 549 2HZ LYS 68 2HZ LYS 68 5.884 14.281 -2.899 550 3HZ LYS 68 3HZ LYS 68 5.125 14.349 -1.388 551 H GLU 69 H GLU 69 -0.889 12.999 -0.975 552 HA GLU 69 HA GLU 69 -0.891 15.813 -0.491 553 1HB GLU 69 2HB GLU 69 -1.926 14.718 -2.485 554 2HB GLU 69 1HB GLU 69 -3.166 14.067 -1.424 555 1HG GLU 69 2HG GLU 69 -3.770 16.398 -0.803 556 2HG GLU 69 1HG GLU 69 -2.629 16.964 -2.022 557 H ASN 70 H ASN 70 -2.625 13.037 0.814 558 HA ASN 70 HA ASN 70 -3.587 14.741 3.016 559 1HB ASN 70 2HB ASN 70 -5.250 12.574 3.095 560 2HB ASN 70 1HB ASN 70 -5.625 14.089 2.280 561 1HD2 ASN 70 1HD2 ASN 70 -4.631 14.175 -0.013 562 2HD2 ASN 70 2HD2 ASN 70 -4.886 12.771 -0.983 563 H SER 71 H SER 71 -1.150 12.849 2.504 564 HA SER 71 HA SER 71 -1.010 11.911 5.210 565 1HB SER 71 2HB SER 71 -1.821 10.085 3.092 566 2HB SER 71 1HB SER 71 -0.348 9.543 3.895 567 HG SER 71 HG SER 71 -1.415 9.504 5.825 568 HA PRO 72 HA PRO 72 2.974 13.023 3.021 569 1HB PRO 72 2HB PRO 72 3.333 14.893 5.240 570 2HB PRO 72 1HB PRO 72 3.368 15.205 3.503 571 1HG PRO 72 2HG PRO 72 1.359 16.065 5.095 572 2HG PRO 72 1HG PRO 72 1.110 15.617 3.398 573 1HD PRO 72 2HD PRO 72 0.515 14.056 5.881 574 2HD PRO 72 1HD PRO 72 -0.438 14.210 4.388 575 H ASP 73 H ASP 73 2.008 12.162 6.183 576 HA ASP 73 HA ASP 73 4.725 11.338 6.910 577 1HB ASP 73 2HB ASP 73 2.882 12.673 8.392 578 2HB ASP 73 1HB ASP 73 2.599 11.014 8.905 579 H SER 74 H SER 74 2.968 9.936 4.988 580 HA SER 74 HA SER 74 2.583 7.393 6.412 581 1HB SER 74 2HB SER 74 0.548 8.282 5.368 582 2HB SER 74 1HB SER 74 1.368 8.350 3.808 583 HG SER 74 HG SER 74 0.012 6.351 4.746 584 H VAL 75 H VAL 75 2.454 5.835 3.999 585 HA VAL 75 HA VAL 75 5.036 6.158 2.714 586 HB VAL 75 HB VAL 75 4.439 3.623 4.251 587 1HG1 VAL 75 1HG1 VAL 75 5.599 3.091 2.228 588 2HG1 VAL 75 2HG1 VAL 75 6.792 3.067 3.525 589 3HG1 VAL 75 3HG1 VAL 75 6.707 4.447 2.431 590 1HG2 VAL 75 1HG2 VAL 75 5.099 5.323 5.795 591 2HG2 VAL 75 2HG2 VAL 75 6.405 5.860 4.738 592 3HG2 VAL 75 3HG2 VAL 75 6.496 4.283 5.522 593 H VAL 76 H VAL 76 5.105 5.363 0.715 594 HA VAL 76 HA VAL 76 2.761 3.818 -0.198 595 HB VAL 76 HB VAL 76 4.368 5.406 -2.143 596 1HG1 VAL 76 1HG1 VAL 76 2.213 3.795 -2.390 597 2HG1 VAL 76 2HG1 VAL 76 2.605 5.104 -3.504 598 3HG1 VAL 76 3HG1 VAL 76 1.432 5.367 -2.213 599 1HG2 VAL 76 1HG2 VAL 76 2.687 6.541 0.013 600 2HG2 VAL 76 2HG2 VAL 76 2.469 7.207 -1.605 601 3HG2 VAL 76 3HG2 VAL 76 4.059 7.242 -0.843 602 H ILE 77 H ILE 77 3.650 1.792 0.063 603 HA ILE 77 HA ILE 77 6.229 1.089 -0.925 604 HB ILE 77 HB ILE 77 3.953 -0.792 -0.305 605 1HG1 ILE 77 2HG1 ILE 77 4.364 0.742 1.587 606 2HG1 ILE 77 1HG1 ILE 77 4.829 -0.911 1.971 607 1HG2 ILE 77 1HG2 ILE 77 6.332 -1.360 -1.451 608 2HG2 ILE 77 2HG2 ILE 77 5.431 -2.483 -0.434 609 3HG2 ILE 77 3HG2 ILE 77 6.745 -1.531 0.255 610 1HD1 ILE 77 1HD1 ILE 77 6.917 0.910 0.918 611 2HD1 ILE 77 2HD1 ILE 77 7.042 -0.407 2.083 612 3HD1 ILE 77 3HD1 ILE 77 6.359 1.144 2.574 613 H VAL 78 H VAL 78 2.958 0.120 -2.001 614 HA VAL 78 HA VAL 78 2.190 -0.625 -4.020 615 HB VAL 78 HB VAL 78 4.239 1.318 -5.110 616 1HG1 VAL 78 1HG1 VAL 78 1.649 0.401 -6.353 617 2HG1 VAL 78 2HG1 VAL 78 3.221 -0.297 -6.736 618 3HG1 VAL 78 3HG1 VAL 78 2.901 1.402 -7.086 619 1HG2 VAL 78 1HG2 VAL 78 1.890 2.637 -5.229 620 2HG2 VAL 78 2HG2 VAL 78 3.033 2.786 -3.894 621 3HG2 VAL 78 3HG2 VAL 78 1.650 1.700 -3.754 622 H ILE 79 H ILE 79 2.871 -2.763 -3.979 623 HA ILE 79 HA ILE 79 5.396 -3.328 -5.393 624 HB ILE 79 HB ILE 79 4.068 -5.366 -3.656 625 1HG1 ILE 79 2HG1 ILE 79 6.097 -3.402 -2.601 626 2HG1 ILE 79 1HG1 ILE 79 4.365 -3.200 -2.362 627 1HG2 ILE 79 1HG2 ILE 79 5.852 -6.545 -4.236 628 2HG2 ILE 79 2HG2 ILE 79 6.905 -5.330 -3.515 629 3HG2 ILE 79 3HG2 ILE 79 6.431 -5.193 -5.208 630 1HD1 ILE 79 1HD1 ILE 79 4.716 -4.329 -0.474 631 2HD1 ILE 79 2HD1 ILE 79 6.250 -4.988 -1.037 632 3HD1 ILE 79 3HD1 ILE 79 4.734 -5.752 -1.515 633 H THR 80 H THR 80 5.443 -4.901 -6.967 634 HA THR 80 HA THR 80 3.610 -6.794 -7.647 635 HB THR 80 HB THR 80 2.661 -5.246 -9.713 636 HG1 THR 80 1HG THR 80 2.047 -3.642 -7.534 637 1HG2 THR 80 1HG2 THR 80 1.561 -6.780 -7.752 638 2HG2 THR 80 2HG2 THR 80 0.662 -5.897 -8.983 639 3HG2 THR 80 3HG2 THR 80 0.903 -5.187 -7.389 640 H GLY 81 H GLY 81 5.192 -7.953 -8.567 641 1HA GLY 81 2HA GLY 81 6.856 -6.685 -10.630 642 2HA GLY 81 1HA GLY 81 7.231 -8.180 -9.788 643 H HIS 82 H HIS 82 6.347 -6.962 -12.688 644 HA HIS 82 HA HIS 82 5.478 -9.569 -13.625 645 1HB HIS 82 2HB HIS 82 3.607 -7.474 -13.171 646 2HB HIS 82 1HB HIS 82 3.773 -7.665 -14.913 647 HD1 HIS 82 1HD HIS 82 1.697 -8.789 -12.351 648 HD2 HIS 82 2HD HIS 82 3.673 -10.727 -15.449 649 HE1 HIS 82 1HE HIS 82 0.474 -10.962 -12.671 650 HE2 HIS 82 2HE HIS 82 1.741 -12.156 -14.492 651 H GLY 83 H GLY 83 7.849 -7.915 -13.939 652 1HA GLY 83 2HA GLY 83 8.545 -8.352 -16.533 653 2HA GLY 83 1HA GLY 83 7.768 -6.777 -16.584 654 H SER 84 H SER 84 9.046 -5.076 -16.319 655 HA SER 84 HA SER 84 11.641 -5.486 -14.983 656 1HB SER 84 2HB SER 84 11.314 -3.169 -16.804 657 2HB SER 84 1HB SER 84 12.694 -4.245 -16.581 658 HG SER 84 HG SER 84 11.406 -5.850 -17.724 659 H VAL 85 H VAL 85 12.563 -3.393 -14.084 660 HA VAL 85 HA VAL 85 10.583 -2.246 -12.321 661 HB VAL 85 HB VAL 85 12.504 -1.091 -11.268 662 1HG1 VAL 85 1HG1 VAL 85 12.383 -4.034 -11.632 663 2HG1 VAL 85 2HG1 VAL 85 12.165 -3.062 -10.177 664 3HG1 VAL 85 3HG1 VAL 85 13.787 -3.365 -10.800 665 1HG2 VAL 85 1HG2 VAL 85 14.459 -2.648 -12.842 666 2HG2 VAL 85 2HG2 VAL 85 14.598 -1.043 -12.126 667 3HG2 VAL 85 3HG2 VAL 85 13.735 -1.257 -13.648 668 H ASP 86 H ASP 86 9.665 -1.362 -14.544 669 HA ASP 86 HA ASP 86 10.845 1.271 -15.093 670 1HB ASP 86 2HB ASP 86 8.742 -0.220 -16.680 671 2HB ASP 86 1HB ASP 86 9.559 1.265 -17.158 672 H THR 87 H THR 87 8.005 -0.323 -13.854 673 HA THR 87 HA THR 87 6.464 2.137 -13.807 674 HB THR 87 HB THR 87 5.574 -0.317 -14.125 675 HG1 THR 87 1HG THR 87 4.239 1.499 -12.410 676 1HG2 THR 87 1HG2 THR 87 6.528 -0.837 -11.702 677 2HG2 THR 87 2HG2 THR 87 5.062 -1.592 -12.328 678 3HG2 THR 87 3HG2 THR 87 4.946 -0.212 -11.236 679 H ALA 88 H ALA 88 8.395 0.175 -11.681 680 HA ALA 88 HA ALA 88 7.624 1.275 -9.212 681 1HB ALA 88 1HB ALA 88 9.890 0.523 -8.455 682 2HB ALA 88 2HB ALA 88 10.236 0.084 -10.127 683 3HB ALA 88 3HB ALA 88 8.937 -0.728 -9.254 684 H VAL 89 H VAL 89 10.399 2.014 -11.281 685 HA VAL 89 HA VAL 89 11.407 4.197 -9.921 686 HB VAL 89 HB VAL 89 12.417 4.909 -12.036 687 1HG1 VAL 89 1HG1 VAL 89 12.443 1.903 -11.892 688 2HG1 VAL 89 2HG1 VAL 89 13.274 2.936 -10.729 689 3HG1 VAL 89 3HG1 VAL 89 13.735 2.974 -12.431 690 1HG2 VAL 89 1HG2 VAL 89 11.924 3.563 -14.096 691 2HG2 VAL 89 2HG2 VAL 89 10.623 4.637 -13.581 692 3HG2 VAL 89 3HG2 VAL 89 10.521 2.908 -13.251 693 H LYS 90 H LYS 90 8.637 3.981 -12.045 694 HA LYS 90 HA LYS 90 8.319 6.809 -12.375 695 1HB LYS 90 2HB LYS 90 7.464 4.973 -13.921 696 2HB LYS 90 1HB LYS 90 6.180 4.728 -12.746 697 1HG LYS 90 2HG LYS 90 5.464 7.044 -13.048 698 2HG LYS 90 1HG LYS 90 6.746 7.280 -14.236 699 1HD LYS 90 2HD LYS 90 4.966 4.980 -14.710 700 2HD LYS 90 1HD LYS 90 4.218 6.570 -14.865 701 1HE LYS 90 2HE LYS 90 6.579 6.901 -16.209 702 2HE LYS 90 1HE LYS 90 6.164 5.230 -16.587 703 1HZ LYS 90 1HZ LYS 90 5.093 6.401 -18.235 704 2HZ LYS 90 2HZ LYS 90 4.685 7.694 -17.222 705 3HZ LYS 90 3HZ LYS 90 3.854 6.226 -17.096 706 H ALA 91 H ALA 91 7.431 4.509 -9.963 707 HA ALA 91 HA ALA 91 5.446 6.320 -8.807 708 1HB ALA 91 1HB ALA 91 4.618 4.526 -7.592 709 2HB ALA 91 2HB ALA 91 6.136 3.633 -7.684 710 3HB ALA 91 3HB ALA 91 5.111 3.781 -9.112 711 H ILE 92 H ILE 92 8.530 4.760 -8.005 712 HA ILE 92 HA ILE 92 8.650 5.824 -5.369 713 HB ILE 92 HB ILE 92 10.837 4.960 -5.205 714 1HG1 ILE 92 2HG1 ILE 92 10.880 4.848 -8.231 715 2HG1 ILE 92 1HG1 ILE 92 11.814 5.943 -7.218 716 1HG2 ILE 92 1HG2 ILE 92 10.591 2.674 -6.330 717 2HG2 ILE 92 2HG2 ILE 92 9.047 3.281 -6.927 718 3HG2 ILE 92 3HG2 ILE 92 9.340 3.174 -5.191 719 1HD1 ILE 92 1HD1 ILE 92 12.307 3.232 -6.436 720 2HD1 ILE 92 2HD1 ILE 92 13.435 4.450 -7.031 721 3HD1 ILE 92 3HD1 ILE 92 12.565 3.423 -8.170 722 H LYS 93 H LYS 93 10.040 6.834 -8.466 723 HA LYS 93 HA LYS 93 11.574 8.967 -7.478 724 1HB LYS 93 2HB LYS 93 11.525 7.891 -9.841 725 2HB LYS 93 1HB LYS 93 10.245 9.050 -10.170 726 1HG LYS 93 2HG LYS 93 12.202 10.612 -9.047 727 2HG LYS 93 1HG LYS 93 13.123 9.439 -9.990 728 1HD LYS 93 2HD LYS 93 12.350 10.225 -11.971 729 2HD LYS 93 1HD LYS 93 10.760 10.623 -11.314 730 1HE LYS 93 2HE LYS 93 11.504 12.742 -11.557 731 2HE LYS 93 1HE LYS 93 12.260 12.419 -9.997 732 1HZ LYS 93 1HZ LYS 93 14.323 12.119 -10.964 733 2HZ LYS 93 2HZ LYS 93 13.682 13.387 -11.881 734 3HZ LYS 93 3HZ LYS 93 13.689 11.814 -12.503 735 H LYS 94 H LYS 94 8.178 8.608 -7.952 736 HA LYS 94 HA LYS 94 7.593 11.427 -8.001 737 1HB LYS 94 2HB LYS 94 5.819 9.010 -7.643 738 2HB LYS 94 1HB LYS 94 5.228 10.663 -7.750 739 1HG LYS 94 2HG LYS 94 6.969 9.629 -9.927 740 2HG LYS 94 1HG LYS 94 5.286 9.100 -9.853 741 1HD LYS 94 2HD LYS 94 4.978 10.966 -11.108 742 2HD LYS 94 1HD LYS 94 4.920 11.727 -9.517 743 1HE LYS 94 2HE LYS 94 7.572 11.777 -9.960 744 2HE LYS 94 1HE LYS 94 6.988 11.867 -11.621 745 1HZ LYS 94 1HZ LYS 94 7.112 14.068 -10.972 746 2HZ LYS 94 2HZ LYS 94 6.553 13.764 -9.405 747 3HZ LYS 94 3HZ LYS 94 5.478 13.713 -10.711 748 H GLY 95 H GLY 95 6.913 8.809 -5.660 749 1HA GLY 95 2HA GLY 95 7.776 10.275 -3.421 750 2HA GLY 95 1HA GLY 95 6.046 10.509 -3.600 751 H ALA 96 H ALA 96 7.602 7.485 -4.488 752 HA ALA 96 HA ALA 96 6.011 6.150 -2.449 753 1HB ALA 96 1HB ALA 96 5.996 4.339 -3.780 754 2HB ALA 96 2HB ALA 96 7.711 4.481 -4.163 755 3HB ALA 96 3HB ALA 96 6.530 5.466 -5.025 756 H TYR 97 H TYR 97 7.581 3.868 -2.017 757 HA TYR 97 HA TYR 97 9.660 5.031 -0.324 758 1HB TYR 97 2HB TYR 97 8.070 3.806 0.960 759 2HB TYR 97 1HB TYR 97 8.143 2.432 -0.132 760 HD1 TYR 97 1HD TYR 97 10.401 4.432 2.079 761 HD2 TYR 97 2HD TYR 97 9.393 0.602 0.523 762 HE1 TYR 97 1HE TYR 97 12.113 3.405 3.515 763 HE2 TYR 97 2HE TYR 97 11.103 -0.434 1.953 764 HH TYR 97 HH TYR 97 12.280 0.615 4.470 765 H GLU 98 H GLU 98 9.203 2.985 -3.015 766 HA GLU 98 HA GLU 98 11.527 2.992 -4.223 767 1HB GLU 98 2HB GLU 98 12.890 1.051 -3.392 768 2HB GLU 98 1HB GLU 98 12.878 2.457 -2.342 769 1HG GLU 98 2HG GLU 98 10.844 1.084 -1.261 770 2HG GLU 98 1HG GLU 98 11.788 -0.252 -1.914 771 H PHE 99 H PHE 99 8.784 1.211 -3.363 772 HA PHE 99 HA PHE 99 7.547 -0.304 -4.543 773 1HB PHE 99 2HB PHE 99 8.846 1.037 -6.506 774 2HB PHE 99 1HB PHE 99 9.484 -0.581 -6.767 775 HD1 PHE 99 1HD PHE 99 8.058 -2.375 -7.520 776 HD2 PHE 99 2HD PHE 99 6.507 1.534 -6.866 777 HE1 PHE 99 1HE PHE 99 6.031 -2.972 -8.781 778 HE2 PHE 99 2HE PHE 99 4.479 0.944 -8.125 779 HZ PHE 99 HZ PHE 99 4.237 -1.311 -9.083 780 H LEU 100 H LEU 100 8.418 -1.596 -2.695 781 HA LEU 100 HA LEU 100 10.581 -3.274 -2.734 782 1HB LEU 100 2HB LEU 100 9.139 -2.960 -0.813 783 2HB LEU 100 1HB LEU 100 7.815 -3.754 -1.640 784 HG LEU 100 HG LEU 100 9.112 -5.864 -1.615 785 1HD1 LEU 100 1HD1 LEU 100 11.207 -6.054 -0.805 786 2HD1 LEU 100 2HD1 LEU 100 10.941 -4.846 0.453 787 3HD1 LEU 100 3HD1 LEU 100 11.296 -4.336 -1.199 788 1HD2 LEU 100 1HD2 LEU 100 9.091 -5.115 1.212 789 2HD2 LEU 100 2HD2 LEU 100 8.206 -6.381 0.363 790 3HD2 LEU 100 3HD2 LEU 100 7.614 -4.720 0.335 791 H GLU 101 H GLU 101 10.570 -5.690 -2.975 792 HA GLU 101 HA GLU 101 8.980 -6.516 -5.312 793 1HB GLU 101 2HB GLU 101 11.853 -7.257 -4.722 794 2HB GLU 101 1HB GLU 101 10.909 -7.809 -6.098 795 1HG GLU 101 2HG GLU 101 10.663 -5.165 -6.430 796 2HG GLU 101 1HG GLU 101 12.225 -5.216 -5.615 797 H LYS 102 H LYS 102 7.467 -7.728 -4.263 798 HA LYS 102 HA LYS 102 8.435 -10.184 -3.009 799 1HB LYS 102 2HB LYS 102 6.916 -9.985 -1.132 800 2HB LYS 102 1HB LYS 102 7.984 -8.589 -1.178 801 1HG LYS 102 2HG LYS 102 6.221 -7.256 -1.137 802 2HG LYS 102 1HG LYS 102 5.686 -7.926 -2.680 803 1HD LYS 102 2HD LYS 102 4.770 -9.866 -1.183 804 2HD LYS 102 1HD LYS 102 4.862 -8.655 0.098 805 1HE LYS 102 2HE LYS 102 2.641 -8.765 -1.001 806 2HE LYS 102 1HE LYS 102 3.405 -7.180 -1.114 807 1HZ LYS 102 1HZ LYS 102 2.327 -8.179 -3.197 808 2HZ LYS 102 2HZ LYS 102 3.709 -9.149 -3.288 809 3HZ LYS 102 3HZ LYS 102 3.852 -7.465 -3.353 810 HA PRO 103 HA PRO 103 4.699 -10.556 -5.900 811 1HB PRO 103 2HB PRO 103 5.902 -11.809 -7.971 812 2HB PRO 103 1HB PRO 103 5.825 -10.047 -7.843 813 1HG PRO 103 2HG PRO 103 8.074 -11.899 -7.142 814 2HG PRO 103 1HG PRO 103 8.129 -10.355 -8.015 815 1HD PRO 103 2HD PRO 103 8.763 -10.568 -5.388 816 2HD PRO 103 1HD PRO 103 8.019 -9.110 -6.078 817 H PHE 104 H PHE 104 6.948 -12.497 -4.330 818 HA PHE 104 HA PHE 104 5.165 -14.810 -4.559 819 1HB PHE 104 2HB PHE 104 8.037 -14.682 -5.277 820 2HB PHE 104 1HB PHE 104 7.532 -16.091 -4.350 821 HD1 PHE 104 1HD PHE 104 7.997 -14.862 -7.557 822 HD2 PHE 104 2HD PHE 104 5.262 -17.179 -5.263 823 HE1 PHE 104 1HE PHE 104 7.163 -15.913 -9.620 824 HE2 PHE 104 2HE PHE 104 4.423 -18.235 -7.321 825 HZ PHE 104 HZ PHE 104 5.375 -17.603 -9.503 826 H SER 105 H SER 105 7.901 -13.353 -2.824 827 HA SER 105 HA SER 105 7.016 -14.741 -0.387 828 1HB SER 105 2HB SER 105 9.253 -14.341 0.496 829 2HB SER 105 1HB SER 105 9.365 -15.132 -1.076 830 HG SER 105 HG SER 105 9.672 -12.975 -1.954 831 H VAL 106 H VAL 106 5.438 -13.404 0.386 832 HA VAL 106 HA VAL 106 5.834 -10.547 0.558 833 HB VAL 106 HB VAL 106 3.600 -11.410 0.117 834 1HG1 VAL 106 1HG1 VAL 106 2.546 -12.381 2.410 835 2HG1 VAL 106 2HG1 VAL 106 4.181 -13.038 2.494 836 3HG1 VAL 106 3HG1 VAL 106 3.161 -13.385 1.097 837 1HG2 VAL 106 1HG2 VAL 106 3.069 -10.370 2.791 838 2HG2 VAL 106 2HG2 VAL 106 2.644 -9.710 1.213 839 3HG2 VAL 106 3HG2 VAL 106 4.247 -9.419 1.890 840 H GLU 107 H GLU 107 7.027 -13.059 2.351 841 HA GLU 107 HA GLU 107 6.598 -12.114 4.993 842 1HB GLU 107 2HB GLU 107 7.490 -14.429 4.049 843 2HB GLU 107 1HB GLU 107 9.047 -13.655 4.310 844 1HG GLU 107 2HG GLU 107 7.931 -13.125 6.665 845 2HG GLU 107 1HG GLU 107 7.035 -14.590 6.262 846 H ARG 108 H ARG 108 9.129 -11.684 2.571 847 HA ARG 108 HA ARG 108 10.926 -10.194 4.140 848 1HB ARG 108 2HB ARG 108 11.177 -11.216 1.739 849 2HB ARG 108 1HB ARG 108 10.560 -9.656 1.210 850 1HG ARG 108 2HG ARG 108 12.427 -8.517 1.947 851 2HG ARG 108 1HG ARG 108 12.873 -9.782 3.094 852 1HD ARG 108 2HD ARG 108 14.436 -9.925 1.331 853 2HD ARG 108 1HD ARG 108 13.312 -11.262 1.093 854 HE ARG 108 HE ARG 108 12.639 -10.301 -0.874 855 1HH1 ARG 108 1HH1 ARG 108 14.404 -7.938 0.991 856 2HH1 ARG 108 2HH1 ARG 108 14.450 -6.776 -0.293 857 1HH2 ARG 108 1HH2 ARG 108 12.699 -8.776 -2.563 858 2HH2 ARG 108 2HH2 ARG 108 13.480 -7.251 -2.310 859 H PHE 109 H PHE 109 8.053 -9.350 2.334 860 HA PHE 109 HA PHE 109 8.301 -6.550 2.383 861 1HB PHE 109 2HB PHE 109 6.659 -7.496 0.933 862 2HB PHE 109 1HB PHE 109 5.916 -8.401 2.243 863 HD1 PHE 109 1HD PHE 109 6.868 -4.809 2.146 864 HD2 PHE 109 2HD PHE 109 3.715 -7.664 2.264 865 HE1 PHE 109 1HE PHE 109 5.239 -2.996 2.471 866 HE2 PHE 109 2HE PHE 109 2.081 -5.858 2.590 867 HZ PHE 109 HZ PHE 109 2.843 -3.518 2.695 868 H LEU 110 H LEU 110 6.979 -8.885 4.658 869 HA LEU 110 HA LEU 110 5.723 -7.290 6.502 870 1HB LEU 110 2HB LEU 110 6.358 -9.884 6.384 871 2HB LEU 110 1HB LEU 110 7.499 -9.360 7.608 872 HG LEU 110 HG LEU 110 4.533 -8.860 7.774 873 1HD1 LEU 110 1HD1 LEU 110 4.511 -10.692 9.413 874 2HD1 LEU 110 2HD1 LEU 110 6.187 -11.055 9.001 875 3HD1 LEU 110 3HD1 LEU 110 4.921 -11.241 7.788 876 1HD2 LEU 110 1HD2 LEU 110 6.859 -8.092 9.363 877 2HD2 LEU 110 2HD2 LEU 110 5.584 -8.867 10.304 878 3HD2 LEU 110 3HD2 LEU 110 5.225 -7.429 9.349 879 H LEU 111 H LEU 111 9.177 -8.133 6.470 880 HA LEU 111 HA LEU 111 9.955 -6.674 8.709 881 1HB LEU 111 2HB LEU 111 11.533 -7.292 6.215 882 2HB LEU 111 1HB LEU 111 12.223 -6.710 7.718 883 HG LEU 111 HG LEU 111 10.810 -8.941 8.521 884 1HD1 LEU 111 1HD1 LEU 111 11.732 -9.270 5.717 885 2HD1 LEU 111 2HD1 LEU 111 10.338 -9.969 6.542 886 3HD1 LEU 111 3HD1 LEU 111 11.951 -10.618 6.833 887 1HD2 LEU 111 1HD2 LEU 111 12.935 -8.466 9.410 888 2HD2 LEU 111 2HD2 LEU 111 13.700 -8.509 7.821 889 3HD2 LEU 111 3HD2 LEU 111 13.118 -10.001 8.559 890 H THR 112 H THR 112 9.882 -5.669 5.299 891 HA THR 112 HA THR 112 10.966 -3.112 5.663 892 HB THR 112 HB THR 112 8.992 -4.070 3.582 893 HG1 THR 112 1HG THR 112 11.809 -3.842 3.421 894 1HG2 THR 112 1HG2 THR 112 9.949 -2.306 2.156 895 2HG2 THR 112 2HG2 THR 112 10.806 -1.672 3.560 896 3HG2 THR 112 3HG2 THR 112 9.043 -1.671 3.529 897 H ILE 113 H ILE 113 7.631 -4.261 5.834 898 HA ILE 113 HA ILE 113 6.220 -1.917 5.908 899 HB ILE 113 HB ILE 113 5.820 -4.575 7.182 900 1HG1 ILE 113 2HG1 ILE 113 5.155 -4.206 4.870 901 2HG1 ILE 113 1HG1 ILE 113 3.734 -4.485 5.869 902 1HG2 ILE 113 1HG2 ILE 113 4.200 -2.144 7.905 903 2HG2 ILE 113 2HG2 ILE 113 5.104 -3.198 8.993 904 3HG2 ILE 113 3HG2 ILE 113 3.666 -3.804 8.171 905 1HD1 ILE 113 1HD1 ILE 113 3.962 -1.765 5.933 906 2HD1 ILE 113 2HD1 ILE 113 2.908 -2.683 4.858 907 3HD1 ILE 113 3HD1 ILE 113 4.496 -2.156 4.298 908 H LYS 114 H LYS 114 7.615 -3.539 8.765 909 HA LYS 114 HA LYS 114 6.912 -1.763 10.719 910 1HB LYS 114 2HB LYS 114 8.152 -3.872 11.108 911 2HB LYS 114 1HB LYS 114 9.603 -3.118 10.463 912 1HG LYS 114 2HG LYS 114 8.317 -1.644 12.649 913 2HG LYS 114 1HG LYS 114 8.953 -3.230 13.089 914 1HD LYS 114 2HD LYS 114 11.055 -2.489 13.023 915 2HD LYS 114 1HD LYS 114 10.820 -1.776 11.426 916 1HE LYS 114 2HE LYS 114 11.296 0.092 12.675 917 2HE LYS 114 1HE LYS 114 9.535 0.066 12.766 918 1HZ LYS 114 1HZ LYS 114 10.355 0.441 14.939 919 2HZ LYS 114 2HZ LYS 114 11.457 -0.839 14.835 920 3HZ LYS 114 3HZ LYS 114 9.797 -1.157 14.909 921 H HIS 115 H HIS 115 9.965 -1.684 8.899 922 HA HIS 115 HA HIS 115 10.930 0.735 9.793 923 1HB HIS 115 2HB HIS 115 12.152 -0.882 8.342 924 2HB HIS 115 1HB HIS 115 11.200 -0.314 6.974 925 HD1 HIS 115 1HD HIS 115 14.199 0.435 8.942 926 HD2 HIS 115 2HD HIS 115 11.741 2.437 6.255 927 HE1 HIS 115 1HE HIS 115 15.507 2.455 8.211 928 HE2 HIS 115 2HE HIS 115 13.982 3.675 6.618 929 H ALA 116 H ALA 116 8.379 0.115 7.484 930 HA ALA 116 HA ALA 116 8.294 2.678 6.291 931 1HB ALA 116 1HB ALA 116 5.868 0.955 6.665 932 2HB ALA 116 2HB ALA 116 7.151 0.496 5.544 933 3HB ALA 116 3HB ALA 116 6.283 2.015 5.316 934 H PHE 117 H PHE 117 6.934 1.348 9.233 935 HA PHE 117 HA PHE 117 5.256 3.614 9.772 936 1HB PHE 117 2HB PHE 117 6.025 1.134 11.272 937 2HB PHE 117 1HB PHE 117 5.204 2.451 12.107 938 HD1 PHE 117 1HD PHE 117 2.896 2.731 11.929 939 HD2 PHE 117 2HD PHE 117 4.908 0.101 9.256 940 HE1 PHE 117 1HE PHE 117 0.727 1.907 11.118 941 HE2 PHE 117 2HE PHE 117 2.743 -0.728 8.440 942 HZ PHE 117 HZ PHE 117 0.647 0.180 9.369 943 H GLU 118 H GLU 118 8.553 2.769 10.372 944 HA GLU 118 HA GLU 118 9.156 4.185 12.664 945 1HB GLU 118 2HB GLU 118 10.763 3.674 10.179 946 2HB GLU 118 1HB GLU 118 11.434 4.530 11.561 947 1HG GLU 118 2HG GLU 118 10.840 2.542 12.962 948 2HG GLU 118 1HG GLU 118 10.431 1.698 11.468 949 H GLU 119 H GLU 119 8.331 5.390 9.524 950 HA GLU 119 HA GLU 119 9.437 7.981 9.785 951 1HB GLU 119 2HB GLU 119 7.062 7.117 8.132 952 2HB GLU 119 1HB GLU 119 8.001 8.588 7.911 953 1HG GLU 119 2HG GLU 119 9.458 6.012 7.816 954 2HG GLU 119 1HG GLU 119 8.398 6.404 6.463 955 H TYR 120 H TYR 120 6.855 6.499 11.346 956 HA TYR 120 HA TYR 120 5.953 9.086 12.376 957 1HB TYR 120 2HB TYR 120 4.422 7.828 10.557 958 2HB TYR 120 1HB TYR 120 3.854 7.018 12.013 959 HD1 TYR 120 1HD TYR 120 4.069 9.295 13.949 960 HD2 TYR 120 2HD TYR 120 2.566 9.141 9.972 961 HE1 TYR 120 1HE TYR 120 2.596 11.202 14.439 962 HE2 TYR 120 2HE TYR 120 1.091 11.049 10.450 963 HH TYR 120 HH TYR 120 0.476 12.160 13.578 964 H SER 121 H SER 121 7.737 7.132 13.481 965 HA SER 121 HA SER 121 8.168 6.081 15.450 966 1HB SER 121 2HB SER 121 5.674 7.591 16.245 967 2HB SER 121 1HB SER 121 6.640 6.656 17.386 968 HG SER 121 HG SER 121 8.248 8.078 17.225 Start of MODEL 26 1 1H MET 1 1HT MET 1 -2.502 3.195 15.530 2 2H MET 1 2HT MET 1 -2.694 3.092 17.231 3 3H MET 1 3HT MET 1 -2.905 1.696 16.256 4 HA MET 1 HA MET 1 -0.448 3.132 16.940 5 1HB MET 1 2HB MET 1 -1.484 0.305 17.153 6 2HB MET 1 1HB MET 1 0.207 0.712 17.407 7 1HG MET 1 2HG MET 1 -0.384 2.154 19.256 8 2HG MET 1 1HG MET 1 -2.097 1.846 18.975 9 1HE MET 1 1HE MET 1 -0.356 1.468 21.734 10 2HE MET 1 2HE MET 1 1.031 0.835 20.850 11 3HE MET 1 3HE MET 1 0.202 -0.177 22.031 12 H LYS 2 H LYS 2 -1.285 0.200 15.098 13 HA LYS 2 HA LYS 2 0.409 1.189 12.903 14 1HB LYS 2 2HB LYS 2 0.286 -1.712 13.703 15 2HB LYS 2 1HB LYS 2 1.429 -0.929 12.622 16 1HG LYS 2 2HG LYS 2 1.542 0.282 15.223 17 2HG LYS 2 1HG LYS 2 1.739 -1.466 15.350 18 1HD LYS 2 2HD LYS 2 3.298 -0.715 13.158 19 2HD LYS 2 1HD LYS 2 3.586 0.530 14.375 20 1HE LYS 2 2HE LYS 2 5.202 -1.166 14.741 21 2HE LYS 2 1HE LYS 2 4.000 -1.327 16.020 22 1HZ LYS 2 1HZ LYS 2 3.720 -2.911 13.559 23 2HZ LYS 2 2HZ LYS 2 3.170 -3.255 15.122 24 3HZ LYS 2 3HZ LYS 2 4.813 -3.412 14.748 25 H ARG 3 H ARG 3 -0.759 1.414 11.126 26 HA ARG 3 HA ARG 3 -2.671 -0.667 10.386 27 1HB ARG 3 2HB ARG 3 -3.442 2.241 10.208 28 2HB ARG 3 1HB ARG 3 -4.467 0.832 9.974 29 1HG ARG 3 2HG ARG 3 -5.132 1.316 12.064 30 2HG ARG 3 1HG ARG 3 -3.685 0.412 12.509 31 1HD ARG 3 2HD ARG 3 -2.550 2.273 13.147 32 2HD ARG 3 1HD ARG 3 -3.343 3.298 11.952 33 HE ARG 3 HE ARG 3 -5.084 2.421 14.065 34 1HH1 ARG 3 1HH1 ARG 3 -2.767 4.840 13.086 35 2HH1 ARG 3 2HH1 ARG 3 -3.378 6.043 14.171 36 1HH2 ARG 3 1HH2 ARG 3 -5.888 4.003 15.493 37 2HH2 ARG 3 2HH2 ARG 3 -5.148 5.569 15.538 38 H VAL 4 H VAL 4 -2.626 -1.126 8.253 39 HA VAL 4 HA VAL 4 -1.299 0.799 6.460 40 HB VAL 4 HB VAL 4 -0.977 -2.196 6.261 41 1HG1 VAL 4 1HG1 VAL 4 0.097 0.147 4.762 42 2HG1 VAL 4 2HG1 VAL 4 -0.539 -1.378 4.153 43 3HG1 VAL 4 3HG1 VAL 4 1.062 -1.320 4.889 44 1HG2 VAL 4 1HG2 VAL 4 0.998 -0.199 7.365 45 2HG2 VAL 4 2HG2 VAL 4 1.247 -1.935 7.183 46 3HG2 VAL 4 3HG2 VAL 4 0.054 -1.331 8.334 47 H LEU 5 H LEU 5 -1.846 0.480 4.156 48 HA LEU 5 HA LEU 5 -4.592 -0.543 3.862 49 1HB LEU 5 2HB LEU 5 -4.237 1.930 3.567 50 2HB LEU 5 1HB LEU 5 -3.243 1.560 2.172 51 HG LEU 5 HG LEU 5 -5.183 0.501 1.079 52 1HD1 LEU 5 1HD1 LEU 5 -6.690 -0.271 2.572 53 2HD1 LEU 5 2HD1 LEU 5 -7.414 1.315 2.307 54 3HD1 LEU 5 3HD1 LEU 5 -6.393 1.037 3.716 55 1HD2 LEU 5 1HD2 LEU 5 -6.595 2.824 1.255 56 2HD2 LEU 5 2HD2 LEU 5 -5.181 2.576 0.229 57 3HD2 LEU 5 3HD2 LEU 5 -5.001 3.331 1.812 58 H VAL 6 H VAL 6 -5.017 -2.041 2.329 59 HA VAL 6 HA VAL 6 -2.765 -2.830 0.588 60 HB VAL 6 HB VAL 6 -4.977 -4.636 1.557 61 1HG1 VAL 6 1HG1 VAL 6 -4.073 -5.463 -0.469 62 2HG1 VAL 6 2HG1 VAL 6 -3.326 -6.400 0.826 63 3HG1 VAL 6 3HG1 VAL 6 -2.423 -5.105 0.040 64 1HG2 VAL 6 1HG2 VAL 6 -3.235 -5.613 3.035 65 2HG2 VAL 6 2HG2 VAL 6 -3.691 -3.967 3.471 66 3HG2 VAL 6 3HG2 VAL 6 -2.179 -4.265 2.613 67 H VAL 7 H VAL 7 -3.371 -1.555 -1.181 68 HA VAL 7 HA VAL 7 -6.030 -1.820 -2.296 69 HB VAL 7 HB VAL 7 -3.624 -0.452 -3.510 70 1HG1 VAL 7 1HG1 VAL 7 -6.473 -0.698 -4.249 71 2HG1 VAL 7 2HG1 VAL 7 -5.048 -0.490 -5.267 72 3HG1 VAL 7 3HG1 VAL 7 -5.746 0.898 -4.432 73 1HG2 VAL 7 1HG2 VAL 7 -5.822 0.943 -2.023 74 2HG2 VAL 7 2HG2 VAL 7 -4.219 1.540 -2.454 75 3HG2 VAL 7 3HG2 VAL 7 -4.398 0.330 -1.184 76 H ASP 8 H ASP 8 -6.476 -3.723 -3.233 77 HA ASP 8 HA ASP 8 -4.660 -4.652 -5.342 78 1HB ASP 8 2HB ASP 8 -4.184 -6.040 -3.398 79 2HB ASP 8 1HB ASP 8 -5.897 -6.404 -3.205 80 H ASP 9 H ASP 9 -5.651 -5.222 -7.177 81 HA ASP 9 HA ASP 9 -8.264 -4.553 -7.737 82 1HB ASP 9 2HB ASP 9 -6.699 -4.822 -9.525 83 2HB ASP 9 1HB ASP 9 -6.422 -6.509 -9.116 84 H GLU 10 H GLU 10 -6.982 -7.766 -6.885 85 HA GLU 10 HA GLU 10 -9.338 -8.558 -5.580 86 1HB GLU 10 2HB GLU 10 -10.153 -10.266 -7.173 87 2HB GLU 10 1HB GLU 10 -10.342 -8.625 -7.775 88 1HG GLU 10 2HG GLU 10 -8.896 -8.933 -9.472 89 2HG GLU 10 1HG GLU 10 -7.845 -9.990 -8.531 90 H GLU 11 H GLU 11 -8.969 -10.286 -4.324 91 HA GLU 11 HA GLU 11 -7.707 -11.805 -3.177 92 1HB GLU 11 2HB GLU 11 -7.290 -13.826 -4.401 93 2HB GLU 11 1HB GLU 11 -8.774 -13.114 -5.015 94 1HG GLU 11 2HG GLU 11 -7.858 -12.597 -7.041 95 2HG GLU 11 1HG GLU 11 -6.223 -12.474 -6.398 96 H SER 12 H SER 12 -5.493 -13.355 -3.964 97 HA SER 12 HA SER 12 -3.236 -13.362 -4.158 98 1HB SER 12 2HB SER 12 -3.447 -12.015 -6.180 99 2HB SER 12 1HB SER 12 -3.558 -10.545 -5.217 100 HG SER 12 HG SER 12 -1.463 -10.617 -4.824 101 H ILE 13 H ILE 13 -3.354 -9.900 -3.444 102 HA ILE 13 HA ILE 13 -1.731 -10.308 -1.112 103 HB ILE 13 HB ILE 13 -3.029 -7.746 -2.037 104 1HG1 ILE 13 2HG1 ILE 13 -1.655 -8.763 -3.821 105 2HG1 ILE 13 1HG1 ILE 13 -0.938 -7.276 -3.209 106 1HG2 ILE 13 1HG2 ILE 13 -0.526 -8.109 -0.408 107 2HG2 ILE 13 2HG2 ILE 13 -2.122 -7.887 0.311 108 3HG2 ILE 13 3HG2 ILE 13 -1.427 -6.622 -0.702 109 1HD1 ILE 13 1HD1 ILE 13 -0.104 -10.057 -2.422 110 2HD1 ILE 13 2HD1 ILE 13 0.645 -8.549 -1.896 111 3HD1 ILE 13 3HD1 ILE 13 0.723 -9.028 -3.591 112 H THR 14 H THR 14 -5.008 -9.033 -1.673 113 HA THR 14 HA THR 14 -5.735 -8.418 0.901 114 HB THR 14 HB THR 14 -8.096 -9.094 0.133 115 HG1 THR 14 1HG THR 14 -8.233 -9.464 -2.119 116 1HG2 THR 14 1HG2 THR 14 -7.866 -6.867 -0.166 117 2HG2 THR 14 2HG2 THR 14 -7.910 -7.353 -1.860 118 3HG2 THR 14 3HG2 THR 14 -6.364 -7.028 -1.076 119 H SER 15 H SER 15 -5.477 -11.592 -0.554 120 HA SER 15 HA SER 15 -6.734 -12.872 1.736 121 1HB SER 15 2HB SER 15 -5.974 -14.978 0.352 122 2HB SER 15 1HB SER 15 -7.351 -14.012 -0.179 123 HG SER 15 HG SER 15 -6.141 -13.130 -1.760 124 H SER 16 H SER 16 -3.542 -12.818 0.169 125 HA SER 16 HA SER 16 -2.332 -14.474 2.160 126 1HB SER 16 2HB SER 16 -1.312 -14.563 0.034 127 2HB SER 16 1HB SER 16 -1.247 -12.807 -0.102 128 HG SER 16 HG SER 16 0.162 -14.221 1.901 129 H LEU 17 H LEU 17 -1.486 -11.133 1.268 130 HA LEU 17 HA LEU 17 0.051 -10.404 3.355 131 1HB LEU 17 2HB LEU 17 -0.799 -9.056 1.326 132 2HB LEU 17 1HB LEU 17 -2.091 -8.538 2.384 133 HG LEU 17 HG LEU 17 0.257 -7.218 2.029 134 1HD1 LEU 17 1HD1 LEU 17 -0.967 -5.760 3.140 135 2HD1 LEU 17 2HD1 LEU 17 -0.604 -6.604 4.645 136 3HD1 LEU 17 3HD1 LEU 17 -2.028 -7.051 3.705 137 1HD2 LEU 17 1HD2 LEU 17 1.496 -7.419 4.178 138 2HD2 LEU 17 2HD2 LEU 17 1.646 -8.826 3.128 139 3HD2 LEU 17 3HD2 LEU 17 0.571 -8.878 4.523 140 H SER 18 H SER 18 -3.506 -10.252 3.375 141 HA SER 18 HA SER 18 -3.908 -9.148 5.874 142 1HB SER 18 2HB SER 18 -5.654 -9.805 4.113 143 2HB SER 18 1HB SER 18 -5.609 -11.413 4.834 144 HG SER 18 HG SER 18 -7.063 -10.567 6.111 145 H ALA 19 H ALA 19 -3.262 -12.530 5.054 146 HA ALA 19 HA ALA 19 -3.607 -13.613 7.628 147 1HB ALA 19 1HB ALA 19 -3.454 -15.071 5.730 148 2HB ALA 19 2HB ALA 19 -2.102 -15.431 6.803 149 3HB ALA 19 3HB ALA 19 -1.839 -14.478 5.343 150 H ILE 20 H ILE 20 -0.962 -11.983 6.063 151 HA ILE 20 HA ILE 20 0.982 -12.524 8.086 152 HB ILE 20 HB ILE 20 0.903 -10.717 5.698 153 1HG1 ILE 20 2HG1 ILE 20 3.138 -12.241 5.547 154 2HG1 ILE 20 1HG1 ILE 20 2.068 -13.300 6.455 155 1HG2 ILE 20 1HG2 ILE 20 2.854 -10.651 7.956 156 2HG2 ILE 20 2HG2 ILE 20 2.139 -9.315 7.056 157 3HG2 ILE 20 3HG2 ILE 20 3.390 -10.311 6.311 158 1HD1 ILE 20 1HD1 ILE 20 1.661 -12.164 3.712 159 2HD1 ILE 20 2HD1 ILE 20 0.360 -12.907 4.641 160 3HD1 ILE 20 3HD1 ILE 20 1.776 -13.857 4.194 161 H LEU 21 H LEU 21 -0.476 -9.379 7.091 162 HA LEU 21 HA LEU 21 0.437 -8.025 9.307 163 1HB LEU 21 2HB LEU 21 -0.961 -6.219 8.759 164 2HB LEU 21 1HB LEU 21 -0.413 -6.940 7.270 165 HG LEU 21 HG LEU 21 -3.032 -6.301 8.026 166 1HD1 LEU 21 1HD1 LEU 21 -1.970 -7.928 5.726 167 2HD1 LEU 21 2HD1 LEU 21 -2.154 -6.174 5.782 168 3HD1 LEU 21 3HD1 LEU 21 -3.579 -7.211 5.812 169 1HD2 LEU 21 1HD2 LEU 21 -4.067 -8.564 7.630 170 2HD2 LEU 21 2HD2 LEU 21 -3.358 -8.277 9.214 171 3HD2 LEU 21 3HD2 LEU 21 -2.487 -9.231 8.013 172 H GLU 22 H GLU 22 -1.892 -10.424 9.290 173 HA GLU 22 HA GLU 22 -3.312 -9.458 11.616 174 1HB GLU 22 2HB GLU 22 -3.571 -11.704 9.735 175 2HB GLU 22 1HB GLU 22 -4.054 -12.052 11.388 176 1HG GLU 22 2HG GLU 22 -5.916 -10.835 11.227 177 2HG GLU 22 1HG GLU 22 -5.101 -9.526 10.372 178 H GLU 23 H GLU 23 -0.599 -11.483 10.858 179 HA GLU 23 HA GLU 23 -0.526 -12.752 13.450 180 1HB GLU 23 2HB GLU 23 0.296 -14.094 11.692 181 2HB GLU 23 1HB GLU 23 1.259 -12.782 11.027 182 1HG GLU 23 2HG GLU 23 3.014 -13.307 12.273 183 2HG GLU 23 1HG GLU 23 2.039 -13.436 13.735 184 H GLU 24 H GLU 24 1.033 -10.084 11.789 185 HA GLU 24 HA GLU 24 2.998 -9.606 13.803 186 1HB GLU 24 2HB GLU 24 2.044 -8.142 11.385 187 2HB GLU 24 1HB GLU 24 3.039 -7.299 12.564 188 1HG GLU 24 2HG GLU 24 4.305 -8.270 10.668 189 2HG GLU 24 1HG GLU 24 4.838 -8.827 12.253 190 H GLY 25 H GLY 25 -0.036 -7.974 12.914 191 1HA GLY 25 2HA GLY 25 -1.496 -7.392 14.835 192 2HA GLY 25 1HA GLY 25 -0.045 -6.764 15.593 193 H TYR 26 H TYR 26 -1.605 -6.421 12.412 194 HA TYR 26 HA TYR 26 -1.355 -3.498 12.719 195 1HB TYR 26 2HB TYR 26 -1.046 -5.232 10.273 196 2HB TYR 26 1HB TYR 26 -1.283 -3.494 10.171 197 HD1 TYR 26 1HD TYR 26 0.463 -1.957 10.949 198 HD2 TYR 26 2HD TYR 26 1.053 -6.170 10.968 199 HE1 TYR 26 1HE TYR 26 2.884 -1.611 11.192 200 HE2 TYR 26 2HE TYR 26 3.475 -5.836 11.214 201 HH TYR 26 HH TYR 26 5.155 -4.171 10.838 202 H HIS 27 H HIS 27 -2.829 -2.548 10.753 203 HA HIS 27 HA HIS 27 -5.483 -3.794 10.946 204 1HB HIS 27 2HB HIS 27 -4.844 -1.566 12.375 205 2HB HIS 27 1HB HIS 27 -5.427 -0.839 10.882 206 HD1 HIS 27 1HD HIS 27 -6.566 -2.394 13.993 207 HD2 HIS 27 2HD HIS 27 -8.166 -1.561 10.249 208 HE1 HIS 27 1HE HIS 27 -9.059 -2.598 14.266 209 HE2 HIS 27 2HE HIS 27 -10.002 -2.153 11.973 210 HA PRO 28 HA PRO 28 -4.566 -2.854 6.569 211 1HB PRO 28 2HB PRO 28 -5.458 -5.138 5.516 212 2HB PRO 28 1HB PRO 28 -3.890 -5.042 6.326 213 1HG PRO 28 2HG PRO 28 -6.487 -6.097 7.353 214 2HG PRO 28 1HG PRO 28 -4.861 -6.755 7.555 215 1HD PRO 28 2HD PRO 28 -6.177 -5.241 9.449 216 2HD PRO 28 1HD PRO 28 -4.414 -5.409 9.349 217 H ASP 29 H ASP 29 -5.890 -1.584 5.518 218 HA ASP 29 HA ASP 29 -8.769 -1.947 5.813 219 1HB ASP 29 2HB ASP 29 -7.087 0.351 5.637 220 2HB ASP 29 1HB ASP 29 -8.286 0.400 4.350 221 H THR 30 H THR 30 -6.641 -3.138 3.897 222 HA THR 30 HA THR 30 -6.441 -3.213 1.500 223 HB THR 30 HB THR 30 -7.319 -5.348 1.039 224 HG1 THR 30 1HG THR 30 -9.235 -4.736 3.023 225 1HG2 THR 30 1HG2 THR 30 -6.244 -6.489 2.613 226 2HG2 THR 30 2HG2 THR 30 -7.293 -5.886 3.895 227 3HG2 THR 30 3HG2 THR 30 -5.920 -4.920 3.352 228 H ALA 31 H ALA 31 -7.089 -2.293 -0.270 229 HA ALA 31 HA ALA 31 -9.956 -1.718 -0.633 230 1HB ALA 31 1HB ALA 31 -8.786 0.347 -0.438 231 2HB ALA 31 2HB ALA 31 -9.176 0.131 -2.145 232 3HB ALA 31 3HB ALA 31 -7.538 -0.181 -1.568 233 H LYS 32 H LYS 32 -10.561 -1.529 -3.016 234 HA LYS 32 HA LYS 32 -9.593 -3.922 -4.351 235 1HB LYS 32 2HB LYS 32 -11.729 -2.110 -5.432 236 2HB LYS 32 1HB LYS 32 -11.529 -3.840 -5.668 237 1HG LYS 32 2HG LYS 32 -12.191 -4.262 -3.379 238 2HG LYS 32 1HG LYS 32 -12.310 -2.527 -3.074 239 1HD LYS 32 2HD LYS 32 -14.060 -2.390 -4.826 240 2HD LYS 32 1HD LYS 32 -13.987 -4.145 -4.991 241 1HE LYS 32 2HE LYS 32 -14.723 -2.621 -2.493 242 2HE LYS 32 1HE LYS 32 -15.843 -3.472 -3.557 243 1HZ LYS 32 1HZ LYS 32 -14.772 -5.546 -3.004 244 2HZ LYS 32 2HZ LYS 32 -15.262 -4.770 -1.584 245 3HZ LYS 32 3HZ LYS 32 -13.633 -4.751 -2.038 246 H THR 33 H THR 33 -9.687 -0.439 -4.857 247 HA THR 33 HA THR 33 -7.494 -0.641 -6.722 248 HB THR 33 HB THR 33 -8.775 0.794 -8.419 249 HG1 THR 33 1HG THR 33 -10.984 0.641 -8.361 250 1HG2 THR 33 1HG2 THR 33 -8.345 -1.850 -8.404 251 2HG2 THR 33 2HG2 THR 33 -9.195 -1.003 -9.697 252 3HG2 THR 33 3HG2 THR 33 -10.108 -1.827 -8.433 253 H LEU 34 H LEU 34 -7.164 1.757 -7.665 254 HA LEU 34 HA LEU 34 -6.482 3.340 -5.447 255 1HB LEU 34 2HB LEU 34 -6.822 4.313 -8.282 256 2HB LEU 34 1HB LEU 34 -5.815 5.019 -7.032 257 HG LEU 34 HG LEU 34 -5.304 2.229 -8.014 258 1HD1 LEU 34 1HD1 LEU 34 -3.978 4.656 -9.177 259 2HD1 LEU 34 2HD1 LEU 34 -5.400 3.918 -9.916 260 3HD1 LEU 34 3HD1 LEU 34 -3.913 2.986 -9.740 261 1HD2 LEU 34 1HD2 LEU 34 -4.249 3.588 -5.943 262 2HD2 LEU 34 2HD2 LEU 34 -3.145 4.072 -7.229 263 3HD2 LEU 34 3HD2 LEU 34 -3.372 2.363 -6.860 264 H ARG 35 H ARG 35 -9.297 3.295 -7.531 265 HA ARG 35 HA ARG 35 -10.402 5.766 -6.701 266 1HB ARG 35 2HB ARG 35 -11.602 3.285 -7.925 267 2HB ARG 35 1HB ARG 35 -12.583 4.684 -7.508 268 1HG ARG 35 2HG ARG 35 -12.156 5.188 -9.672 269 2HG ARG 35 1HG ARG 35 -10.735 5.934 -8.941 270 1HD ARG 35 2HD ARG 35 -10.062 3.244 -9.371 271 2HD ARG 35 1HD ARG 35 -10.895 3.774 -10.831 272 HE ARG 35 HE ARG 35 -8.304 4.600 -9.920 273 1HH1 ARG 35 1HH1 ARG 35 -11.077 5.522 -11.828 274 2HH1 ARG 35 2HH1 ARG 35 -10.181 6.616 -12.828 275 1HH2 ARG 35 1HH2 ARG 35 -7.124 6.039 -11.234 276 2HH2 ARG 35 2HH2 ARG 35 -7.938 6.909 -12.491 277 H GLU 36 H GLU 36 -10.946 2.417 -5.655 278 HA GLU 36 HA GLU 36 -12.805 3.081 -3.615 279 1HB GLU 36 2HB GLU 36 -12.007 0.752 -4.796 280 2HB GLU 36 1HB GLU 36 -11.213 0.632 -3.232 281 1HG GLU 36 2HG GLU 36 -14.079 1.397 -3.288 282 2HG GLU 36 1HG GLU 36 -13.653 -0.278 -3.635 283 H ALA 37 H ALA 37 -9.323 2.913 -3.778 284 HA ALA 37 HA ALA 37 -8.866 2.887 -0.964 285 1HB ALA 37 1HB ALA 37 -6.905 3.964 -2.960 286 2HB ALA 37 2HB ALA 37 -7.251 2.237 -2.866 287 3HB ALA 37 3HB ALA 37 -6.599 3.083 -1.463 288 H GLU 38 H GLU 38 -9.310 5.399 -3.373 289 HA GLU 38 HA GLU 38 -8.450 7.563 -1.748 290 1HB GLU 38 2HB GLU 38 -10.232 7.418 -4.174 291 2HB GLU 38 1HB GLU 38 -9.836 8.934 -3.377 292 1HG GLU 38 2HG GLU 38 -7.576 8.780 -3.953 293 2HG GLU 38 1HG GLU 38 -7.706 7.067 -4.352 294 H LYS 39 H LYS 39 -11.579 6.055 -2.392 295 HA LYS 39 HA LYS 39 -13.152 7.841 -0.886 296 1HB LYS 39 2HB LYS 39 -14.208 6.348 -2.449 297 2HB LYS 39 1HB LYS 39 -13.559 4.939 -1.624 298 1HG LYS 39 2HG LYS 39 -15.359 6.804 -0.149 299 2HG LYS 39 1HG LYS 39 -16.042 5.637 -1.284 300 1HD LYS 39 2HD LYS 39 -14.463 3.975 0.036 301 2HD LYS 39 1HD LYS 39 -14.647 5.187 1.306 302 1HE LYS 39 2HE LYS 39 -17.127 4.364 -0.058 303 2HE LYS 39 1HE LYS 39 -16.348 3.126 0.927 304 1HZ LYS 39 1HZ LYS 39 -17.567 4.111 2.531 305 2HZ LYS 39 2HZ LYS 39 -17.646 5.603 1.739 306 3HZ LYS 39 3HZ LYS 39 -16.253 5.173 2.598 307 H LYS 40 H LYS 40 -11.246 5.025 -0.031 308 HA LYS 40 HA LYS 40 -12.261 4.828 2.644 309 1HB LYS 40 2HB LYS 40 -9.789 3.662 1.357 310 2HB LYS 40 1HB LYS 40 -10.349 3.270 2.976 311 1HG LYS 40 2HG LYS 40 -12.179 2.906 0.649 312 2HG LYS 40 1HG LYS 40 -10.927 1.709 0.985 313 1HD LYS 40 2HD LYS 40 -12.622 0.828 2.233 314 2HD LYS 40 1HD LYS 40 -11.915 1.908 3.436 315 1HE LYS 40 2HE LYS 40 -13.683 3.539 2.103 316 2HE LYS 40 1HE LYS 40 -14.529 1.993 2.145 317 1HZ LYS 40 1HZ LYS 40 -15.138 3.083 4.102 318 2HZ LYS 40 2HZ LYS 40 -13.562 3.611 4.423 319 3HZ LYS 40 3HZ LYS 40 -13.958 1.977 4.599 320 H ILE 41 H ILE 41 -9.372 6.194 1.124 321 HA ILE 41 HA ILE 41 -8.181 7.042 3.573 322 HB ILE 41 HB ILE 41 -7.646 8.044 0.775 323 1HG1 ILE 41 2HG1 ILE 41 -5.845 6.107 2.130 324 2HG1 ILE 41 1HG1 ILE 41 -7.372 5.481 1.514 325 1HG2 ILE 41 1HG2 ILE 41 -6.019 8.213 3.305 326 2HG2 ILE 41 2HG2 ILE 41 -6.762 9.552 2.430 327 3HG2 ILE 41 3HG2 ILE 41 -5.433 8.652 1.701 328 1HD1 ILE 41 1HD1 ILE 41 -6.739 6.567 -0.693 329 2HD1 ILE 41 2HD1 ILE 41 -5.825 5.141 -0.202 330 3HD1 ILE 41 3HD1 ILE 41 -5.124 6.747 -0.008 331 H LYS 42 H LYS 42 -10.513 8.409 1.383 332 HA LYS 42 HA LYS 42 -10.296 11.112 1.873 333 1HB LYS 42 2HB LYS 42 -12.029 9.548 0.498 334 2HB LYS 42 1HB LYS 42 -13.052 10.104 1.815 335 1HG LYS 42 2HG LYS 42 -13.059 12.248 1.093 336 2HG LYS 42 1HG LYS 42 -11.428 12.146 0.428 337 1HD LYS 42 2HD LYS 42 -12.270 11.828 -1.605 338 2HD LYS 42 1HD LYS 42 -13.094 10.373 -1.044 339 1HE LYS 42 2HE LYS 42 -15.088 11.411 -0.883 340 2HE LYS 42 1HE LYS 42 -14.376 12.908 -0.286 341 1HZ LYS 42 1HZ LYS 42 -15.436 12.655 -2.706 342 2HZ LYS 42 2HZ LYS 42 -13.830 12.261 -3.065 343 3HZ LYS 42 3HZ LYS 42 -14.197 13.750 -2.352 344 H GLU 43 H GLU 43 -11.444 8.610 3.978 345 HA GLU 43 HA GLU 43 -12.085 10.646 5.999 346 1HB GLU 43 2HB GLU 43 -13.341 7.911 5.722 347 2HB GLU 43 1HB GLU 43 -13.729 9.109 6.949 348 1HG GLU 43 2HG GLU 43 -14.801 10.502 5.429 349 2HG GLU 43 1HG GLU 43 -14.032 9.735 4.041 350 H LEU 44 H LEU 44 -10.844 7.384 5.423 351 HA LEU 44 HA LEU 44 -9.804 7.184 8.118 352 1HB LEU 44 2HB LEU 44 -10.514 5.364 6.095 353 2HB LEU 44 1HB LEU 44 -8.783 5.182 6.309 354 HG LEU 44 HG LEU 44 -9.982 3.595 7.701 355 1HD1 LEU 44 1HD1 LEU 44 -8.943 4.083 9.823 356 2HD1 LEU 44 2HD1 LEU 44 -8.775 5.783 9.386 357 3HD1 LEU 44 3HD1 LEU 44 -7.860 4.553 8.513 358 1HD2 LEU 44 1HD2 LEU 44 -11.661 4.113 9.170 359 2HD2 LEU 44 2HD2 LEU 44 -11.965 5.308 7.909 360 3HD2 LEU 44 3HD2 LEU 44 -11.114 5.777 9.382 361 H PHE 45 H PHE 45 -7.694 7.351 8.736 362 HA PHE 45 HA PHE 45 -5.861 8.490 6.743 363 1HB PHE 45 2HB PHE 45 -6.399 9.822 8.803 364 2HB PHE 45 1HB PHE 45 -5.609 8.569 9.755 365 HD1 PHE 45 1HD PHE 45 -5.169 11.591 7.962 366 HD2 PHE 45 2HD PHE 45 -3.159 8.038 9.162 367 HE1 PHE 45 1HE PHE 45 -3.003 12.705 7.618 368 HE2 PHE 45 2HE PHE 45 -0.988 9.145 8.822 369 HZ PHE 45 HZ PHE 45 -0.908 11.483 8.049 370 H PHE 46 H PHE 46 -4.779 6.834 5.821 371 HA PHE 46 HA PHE 46 -3.749 4.679 7.499 372 1HB PHE 46 2HB PHE 46 -3.640 5.000 4.493 373 2HB PHE 46 1HB PHE 46 -3.176 3.564 5.399 374 HD1 PHE 46 1HD PHE 46 -5.511 4.549 3.262 375 HD2 PHE 46 2HD PHE 46 -5.293 3.135 7.268 376 HE1 PHE 46 1HE PHE 46 -7.814 3.706 3.082 377 HE2 PHE 46 2HE PHE 46 -7.597 2.287 7.097 378 HZ PHE 46 HZ PHE 46 -8.861 2.574 5.002 379 HA PRO 47 HA PRO 47 0.202 6.825 7.550 380 1HB PRO 47 2HB PRO 47 1.507 5.065 9.128 381 2HB PRO 47 1HB PRO 47 0.323 6.209 9.773 382 1HG PRO 47 2HG PRO 47 -0.005 3.313 9.112 383 2HG PRO 47 1HG PRO 47 -0.595 4.211 10.522 384 1HD PRO 47 2HD PRO 47 -2.167 3.591 8.383 385 2HD PRO 47 1HD PRO 47 -2.420 5.027 9.391 386 H VAL 48 H VAL 48 -0.570 3.738 6.307 387 HA VAL 48 HA VAL 48 1.733 3.797 4.563 388 HB VAL 48 HB VAL 48 1.163 1.213 5.967 389 1HG1 VAL 48 1HG1 VAL 48 2.730 1.806 3.842 390 2HG1 VAL 48 2HG1 VAL 48 3.008 0.452 4.937 391 3HG1 VAL 48 3HG1 VAL 48 3.885 1.966 5.166 392 1HG2 VAL 48 1HG2 VAL 48 1.571 2.783 7.743 393 2HG2 VAL 48 2HG2 VAL 48 3.011 3.383 6.922 394 3HG2 VAL 48 3HG2 VAL 48 2.974 1.733 7.543 395 H ILE 49 H ILE 49 1.247 3.035 2.585 396 HA ILE 49 HA ILE 49 -1.311 1.630 2.213 397 HB ILE 49 HB ILE 49 0.051 3.265 0.082 398 1HG1 ILE 49 2HG1 ILE 49 -0.358 4.808 1.901 399 2HG1 ILE 49 1HG1 ILE 49 -1.553 5.089 0.639 400 1HG2 ILE 49 1HG2 ILE 49 -2.464 1.778 0.360 401 2HG2 ILE 49 2HG2 ILE 49 -1.524 2.163 -1.081 402 3HG2 ILE 49 3HG2 ILE 49 -2.616 3.364 -0.393 403 1HD1 ILE 49 1HD1 ILE 49 -1.911 3.859 3.335 404 2HD1 ILE 49 2HD1 ILE 49 -3.054 3.528 2.033 405 3HD1 ILE 49 3HD1 ILE 49 -2.796 5.185 2.581 406 H VAL 50 H VAL 50 -1.331 0.138 0.282 407 HA VAL 50 HA VAL 50 1.288 -0.769 -0.581 408 HB VAL 50 HB VAL 50 -0.602 -2.637 0.851 409 1HG1 VAL 50 1HG1 VAL 50 1.697 -4.009 0.605 410 2HG1 VAL 50 2HG1 VAL 50 1.759 -3.054 -0.876 411 3HG1 VAL 50 3HG1 VAL 50 0.379 -4.108 -0.563 412 1HG2 VAL 50 1HG2 VAL 50 1.168 -2.802 2.521 413 2HG2 VAL 50 2HG2 VAL 50 0.576 -1.148 2.376 414 3HG2 VAL 50 3HG2 VAL 50 2.114 -1.601 1.641 415 H LEU 51 H LEU 51 0.764 -0.303 -2.646 416 HA LEU 51 HA LEU 51 -1.672 -1.217 -3.869 417 1HB LEU 51 2HB LEU 51 -0.286 0.848 -4.495 418 2HB LEU 51 1HB LEU 51 0.786 -0.267 -5.316 419 HG LEU 51 HG LEU 51 -0.904 -0.886 -6.881 420 1HD1 LEU 51 1HD1 LEU 51 -2.846 -1.064 -5.539 421 2HD1 LEU 51 2HD1 LEU 51 -3.184 0.182 -6.740 422 3HD1 LEU 51 3HD1 LEU 51 -2.776 0.640 -5.087 423 1HD2 LEU 51 1HD2 LEU 51 -0.584 2.037 -6.369 424 2HD2 LEU 51 2HD2 LEU 51 -1.649 1.483 -7.662 425 3HD2 LEU 51 3HD2 LEU 51 0.060 1.047 -7.678 426 H ASP 52 H ASP 52 -1.457 -2.488 -6.005 427 HA ASP 52 HA ASP 52 0.577 -4.586 -5.819 428 1HB ASP 52 2HB ASP 52 -1.749 -5.142 -4.710 429 2HB ASP 52 1HB ASP 52 -2.241 -5.415 -6.379 430 H VAL 53 H VAL 53 -2.134 -3.289 -7.715 431 HA VAL 53 HA VAL 53 -2.378 -2.937 -9.952 432 HB VAL 53 HB VAL 53 0.570 -3.531 -10.214 433 1HG1 VAL 53 1HG1 VAL 53 0.409 -2.880 -12.344 434 2HG1 VAL 53 2HG1 VAL 53 -0.608 -1.499 -11.933 435 3HG1 VAL 53 3HG1 VAL 53 -1.331 -3.092 -12.156 436 1HG2 VAL 53 1HG2 VAL 53 0.289 -1.829 -8.522 437 2HG2 VAL 53 2HG2 VAL 53 -0.800 -0.923 -9.571 438 3HG2 VAL 53 3HG2 VAL 53 0.902 -1.092 -10.003 439 H TRP 54 H TRP 54 -2.941 -5.492 -8.930 440 HA TRP 54 HA TRP 54 -1.804 -7.629 -10.324 441 1HB TRP 54 2HB TRP 54 -3.234 -8.036 -8.423 442 2HB TRP 54 1HB TRP 54 -4.601 -7.275 -9.226 443 HD1 TRP 54 HD TRP 54 -6.289 -9.109 -9.786 444 HE1 TRP 54 1HE TRP 54 -6.182 -11.473 -10.796 445 HE3 TRP 54 3HE TRP 54 -1.216 -9.580 -10.216 446 HZ2 TRP 54 2HZ TRP 54 -4.208 -13.298 -11.660 447 HZ3 TRP 54 3HZ TRP 54 -0.300 -11.667 -11.143 448 HH2 TRP 54 HH TRP 54 -1.767 -13.487 -11.850 449 H MET 55 H MET 55 -5.130 -6.585 -10.992 450 HA MET 55 HA MET 55 -4.523 -6.272 -13.816 451 1HB MET 55 2HB MET 55 -6.086 -8.531 -12.677 452 2HB MET 55 1HB MET 55 -6.693 -7.796 -14.154 453 1HG MET 55 2HG MET 55 -3.826 -8.414 -14.168 454 2HG MET 55 1HG MET 55 -4.895 -9.811 -14.061 455 1HE MET 55 1HE MET 55 -6.691 -10.258 -16.996 456 2HE MET 55 2HE MET 55 -7.477 -8.746 -16.538 457 3HE MET 55 3HE MET 55 -6.990 -9.899 -15.295 458 HA PRO 56 HA PRO 56 -8.071 -3.671 -12.200 459 1HB PRO 56 2HB PRO 56 -6.496 -1.402 -11.573 460 2HB PRO 56 1HB PRO 56 -7.252 -2.515 -10.435 461 1HG PRO 56 2HG PRO 56 -4.512 -2.179 -10.817 462 2HG PRO 56 1HG PRO 56 -5.285 -3.536 -9.988 463 1HD PRO 56 2HD PRO 56 -4.262 -3.356 -12.789 464 2HD PRO 56 1HD PRO 56 -4.230 -4.723 -11.658 465 H ASP 57 H ASP 57 -7.874 -0.883 -12.687 466 HA ASP 57 HA ASP 57 -6.989 -0.582 -15.440 467 1HB ASP 57 2HB ASP 57 -9.880 -0.170 -14.650 468 2HB ASP 57 1HB ASP 57 -9.181 0.202 -16.223 469 H GLY 58 H GLY 58 -6.069 0.586 -13.033 470 1HA GLY 58 2HA GLY 58 -6.768 3.403 -13.560 471 2HA GLY 58 1HA GLY 58 -6.643 2.800 -11.915 472 H ASP 59 H ASP 59 -5.130 4.928 -12.597 473 HA ASP 59 HA ASP 59 -2.441 3.842 -13.082 474 1HB ASP 59 2HB ASP 59 -3.786 6.237 -13.961 475 2HB ASP 59 1HB ASP 59 -2.324 6.658 -13.074 476 H GLY 60 H GLY 60 -1.382 3.395 -11.268 477 1HA GLY 60 2HA GLY 60 -2.018 4.723 -8.784 478 2HA GLY 60 1HA GLY 60 -0.832 3.448 -9.013 479 H VAL 61 H VAL 61 0.278 5.191 -11.305 480 HA VAL 61 HA VAL 61 2.464 6.243 -9.997 481 HB VAL 61 HB VAL 61 1.329 7.355 -12.562 482 1HG1 VAL 61 1HG1 VAL 61 3.971 7.424 -11.200 483 2HG1 VAL 61 2HG1 VAL 61 3.115 8.694 -12.076 484 3HG1 VAL 61 3HG1 VAL 61 3.923 7.402 -12.963 485 1HG2 VAL 61 1HG2 VAL 61 2.816 4.805 -12.025 486 2HG2 VAL 61 2HG2 VAL 61 2.908 5.610 -13.592 487 3HG2 VAL 61 3HG2 VAL 61 1.352 5.056 -12.976 488 H ASN 62 H ASN 62 -0.461 7.957 -11.081 489 HA ASN 62 HA ASN 62 0.391 10.426 -9.867 490 1HB ASN 62 2HB ASN 62 -1.481 9.682 -11.837 491 2HB ASN 62 1HB ASN 62 -2.413 10.399 -10.528 492 1HD2 ASN 62 1HD2 ASN 62 0.513 10.954 -12.446 493 2HD2 ASN 62 2HD2 ASN 62 0.329 12.669 -12.548 494 H PHE 63 H PHE 63 -1.176 7.622 -8.768 495 HA PHE 63 HA PHE 63 -2.891 8.806 -6.828 496 1HB PHE 63 2HB PHE 63 -3.275 6.532 -7.649 497 2HB PHE 63 1HB PHE 63 -1.742 6.010 -6.956 498 HD1 PHE 63 1HD PHE 63 -4.740 7.898 -5.775 499 HD2 PHE 63 2HD PHE 63 -1.948 4.771 -5.045 500 HE1 PHE 63 1HE PHE 63 -5.874 7.385 -3.654 501 HE2 PHE 63 2HE PHE 63 -3.080 4.252 -2.922 502 HZ PHE 63 HZ PHE 63 -5.047 5.562 -2.224 503 H ILE 64 H ILE 64 0.432 7.626 -6.783 504 HA ILE 64 HA ILE 64 0.978 7.513 -4.102 505 HB ILE 64 HB ILE 64 2.795 8.659 -6.227 506 1HG1 ILE 64 2HG1 ILE 64 3.408 5.971 -5.396 507 2HG1 ILE 64 1HG1 ILE 64 1.730 6.058 -5.919 508 1HG2 ILE 64 1HG2 ILE 64 4.615 7.915 -4.713 509 2HG2 ILE 64 2HG2 ILE 64 3.400 7.560 -3.485 510 3HG2 ILE 64 3HG2 ILE 64 3.633 9.218 -4.043 511 1HD1 ILE 64 1HD1 ILE 64 3.553 5.495 -7.640 512 2HD1 ILE 64 2HD1 ILE 64 3.906 7.223 -7.599 513 3HD1 ILE 64 3HD1 ILE 64 2.304 6.662 -8.075 514 H ASP 65 H ASP 65 0.414 10.355 -6.040 515 HA ASP 65 HA ASP 65 1.424 12.201 -4.080 516 1HB ASP 65 2HB ASP 65 0.868 12.395 -6.756 517 2HB ASP 65 1HB ASP 65 -0.512 13.229 -6.047 518 H PHE 66 H PHE 66 -1.672 10.798 -4.918 519 HA PHE 66 HA PHE 66 -3.346 12.494 -3.443 520 1HB PHE 66 2HB PHE 66 -4.269 10.919 -5.036 521 2HB PHE 66 1HB PHE 66 -3.628 9.558 -4.124 522 HD1 PHE 66 1HD PHE 66 -4.741 8.733 -2.179 523 HD2 PHE 66 2HD PHE 66 -6.186 12.189 -4.198 524 HE1 PHE 66 1HE PHE 66 -6.844 8.591 -0.912 525 HE2 PHE 66 2HE PHE 66 -8.291 12.053 -2.933 526 HZ PHE 66 HZ PHE 66 -8.623 10.251 -1.287 527 H ILE 67 H ILE 67 -1.468 9.655 -2.525 528 HA ILE 67 HA ILE 67 -2.496 9.305 0.063 529 HB ILE 67 HB ILE 67 0.219 8.662 -1.092 530 1HG1 ILE 67 2HG1 ILE 67 -0.767 6.294 -0.725 531 2HG1 ILE 67 1HG1 ILE 67 -2.314 7.122 -0.583 532 1HG2 ILE 67 1HG2 ILE 67 0.885 8.632 1.072 533 2HG2 ILE 67 2HG2 ILE 67 0.096 7.055 1.053 534 3HG2 ILE 67 3HG2 ILE 67 -0.759 8.460 1.689 535 1HD1 ILE 67 1HD1 ILE 67 -0.699 7.824 -2.937 536 2HD1 ILE 67 2HD1 ILE 67 -2.434 7.546 -2.786 537 3HD1 ILE 67 3HD1 ILE 67 -1.326 6.176 -2.887 538 H LYS 68 H LYS 68 0.242 11.239 -1.122 539 HA LYS 68 HA LYS 68 0.819 12.295 1.492 540 1HB LYS 68 2HB LYS 68 1.774 13.382 -1.157 541 2HB LYS 68 1HB LYS 68 2.523 13.587 0.420 542 1HG LYS 68 2HG LYS 68 2.431 10.844 0.091 543 2HG LYS 68 1HG LYS 68 2.821 11.454 -1.519 544 1HD LYS 68 2HD LYS 68 4.832 12.313 -0.855 545 2HD LYS 68 1HD LYS 68 4.282 12.613 0.794 546 1HE LYS 68 2HE LYS 68 4.689 10.449 1.468 547 2HE LYS 68 1HE LYS 68 4.541 9.801 -0.165 548 1HZ LYS 68 1HZ LYS 68 6.855 10.926 1.180 549 2HZ LYS 68 2HZ LYS 68 6.674 11.362 -0.446 550 3HZ LYS 68 3HZ LYS 68 6.770 9.730 -0.013 551 H GLU 69 H GLU 69 -1.227 13.125 -1.161 552 HA GLU 69 HA GLU 69 -1.528 15.885 -0.691 553 1HB GLU 69 2HB GLU 69 -2.244 14.641 -2.750 554 2HB GLU 69 1HB GLU 69 -3.598 14.010 -1.826 555 1HG GLU 69 2HG GLU 69 -4.597 16.116 -1.631 556 2HG GLU 69 1HG GLU 69 -3.118 16.954 -2.100 557 H ASN 70 H ASN 70 -3.030 13.052 0.712 558 HA ASN 70 HA ASN 70 -4.376 14.803 2.654 559 1HB ASN 70 2HB ASN 70 -6.059 12.672 2.620 560 2HB ASN 70 1HB ASN 70 -6.314 14.141 1.685 561 1HD2 ASN 70 1HD2 ASN 70 -5.166 14.109 -0.495 562 2HD2 ASN 70 2HD2 ASN 70 -5.298 12.647 -1.404 563 H SER 71 H SER 71 -1.867 13.021 2.526 564 HA SER 71 HA SER 71 -2.011 12.130 5.223 565 1HB SER 71 2HB SER 71 -2.699 10.228 3.143 566 2HB SER 71 1HB SER 71 -1.279 9.698 4.043 567 HG SER 71 HG SER 71 -2.477 9.905 5.953 568 HA PRO 72 HA PRO 72 2.180 13.102 3.429 569 1HB PRO 72 2HB PRO 72 2.390 14.968 5.665 570 2HB PRO 72 1HB PRO 72 2.559 15.281 3.936 571 1HG PRO 72 2HG PRO 72 0.450 16.168 5.382 572 2HG PRO 72 1HG PRO 72 0.326 15.739 3.667 573 1HD PRO 72 2HD PRO 72 -0.486 14.167 6.080 574 2HD PRO 72 1HD PRO 72 -1.320 14.352 4.522 575 H ASP 73 H ASP 73 0.914 12.239 6.480 576 HA ASP 73 HA ASP 73 3.540 11.441 7.500 577 1HB ASP 73 2HB ASP 73 2.003 12.729 8.981 578 2HB ASP 73 1HB ASP 73 0.871 11.383 8.915 579 H SER 74 H SER 74 2.230 10.047 5.294 580 HA SER 74 HA SER 74 1.783 7.426 6.555 581 1HB SER 74 2HB SER 74 -0.185 8.244 5.338 582 2HB SER 74 1HB SER 74 0.787 8.432 3.879 583 HG SER 74 HG SER 74 -0.099 6.478 3.623 584 H VAL 75 H VAL 75 2.030 5.896 4.176 585 HA VAL 75 HA VAL 75 4.624 6.476 3.034 586 HB VAL 75 HB VAL 75 4.286 3.906 4.582 587 1HG1 VAL 75 1HG1 VAL 75 6.315 5.033 2.725 588 2HG1 VAL 75 2HG1 VAL 75 5.792 3.365 2.953 589 3HG1 VAL 75 3HG1 VAL 75 6.905 4.105 4.105 590 1HG2 VAL 75 1HG2 VAL 75 4.483 5.693 6.170 591 2HG2 VAL 75 2HG2 VAL 75 5.817 6.413 5.270 592 3HG2 VAL 75 3HG2 VAL 75 6.034 4.861 6.079 593 H VAL 76 H VAL 76 4.842 5.620 1.051 594 HA VAL 76 HA VAL 76 2.686 3.822 0.159 595 HB VAL 76 HB VAL 76 4.381 5.500 -1.669 596 1HG1 VAL 76 1HG1 VAL 76 2.867 3.499 -2.383 597 2HG1 VAL 76 2HG1 VAL 76 2.854 4.996 -3.314 598 3HG1 VAL 76 3HG1 VAL 76 1.561 4.663 -2.161 599 1HG2 VAL 76 1HG2 VAL 76 1.877 6.265 -0.191 600 2HG2 VAL 76 2HG2 VAL 76 2.384 7.065 -1.679 601 3HG2 VAL 76 3HG2 VAL 76 3.418 7.121 -0.251 602 H ILE 77 H ILE 77 3.309 1.785 0.057 603 HA ILE 77 HA ILE 77 6.016 1.173 -0.928 604 HB ILE 77 HB ILE 77 4.220 -0.647 0.678 605 1HG1 ILE 77 2HG1 ILE 77 4.904 1.357 1.972 606 2HG1 ILE 77 1HG1 ILE 77 5.610 -0.127 2.606 607 1HG2 ILE 77 1HG2 ILE 77 6.394 -1.254 -0.894 608 2HG2 ILE 77 2HG2 ILE 77 5.764 -2.241 0.424 609 3HG2 ILE 77 3HG2 ILE 77 7.093 -1.120 0.719 610 1HD1 ILE 77 1HD1 ILE 77 7.468 0.844 0.770 611 2HD1 ILE 77 2HD1 ILE 77 7.577 0.878 2.530 612 3HD1 ILE 77 3HD1 ILE 77 6.899 2.256 1.661 613 H VAL 78 H VAL 78 4.079 1.808 -2.781 614 HA VAL 78 HA VAL 78 2.417 -0.049 -3.864 615 HB VAL 78 HB VAL 78 4.358 1.642 -5.457 616 1HG1 VAL 78 1HG1 VAL 78 1.641 1.107 -6.463 617 2HG1 VAL 78 2HG1 VAL 78 2.726 -0.281 -6.439 618 3HG1 VAL 78 3HG1 VAL 78 3.177 1.176 -7.325 619 1HG2 VAL 78 1HG2 VAL 78 1.977 2.968 -5.473 620 2HG2 VAL 78 2HG2 VAL 78 3.336 3.339 -4.413 621 3HG2 VAL 78 3HG2 VAL 78 2.018 2.322 -3.833 622 H ILE 79 H ILE 79 2.621 -2.099 -4.464 623 HA ILE 79 HA ILE 79 5.238 -3.033 -5.454 624 HB ILE 79 HB ILE 79 3.293 -4.897 -4.141 625 1HG1 ILE 79 2HG1 ILE 79 5.409 -3.258 -2.731 626 2HG1 ILE 79 1HG1 ILE 79 3.670 -3.104 -2.520 627 1HG2 ILE 79 1HG2 ILE 79 5.523 -6.017 -3.582 628 2HG2 ILE 79 2HG2 ILE 79 6.231 -4.895 -4.743 629 3HG2 ILE 79 3HG2 ILE 79 4.994 -6.039 -5.264 630 1HD1 ILE 79 1HD1 ILE 79 4.491 -4.327 -0.674 631 2HD1 ILE 79 2HD1 ILE 79 5.423 -5.402 -1.715 632 3HD1 ILE 79 3HD1 ILE 79 3.662 -5.481 -1.719 633 H THR 80 H THR 80 5.219 -4.591 -7.127 634 HA THR 80 HA THR 80 2.721 -5.436 -8.290 635 HB THR 80 HB THR 80 2.976 -4.348 -10.425 636 HG1 THR 80 1HG THR 80 4.980 -3.947 -10.920 637 1HG2 THR 80 1HG2 THR 80 1.863 -3.017 -8.665 638 2HG2 THR 80 2HG2 THR 80 2.637 -2.043 -9.913 639 3HG2 THR 80 3HG2 THR 80 3.405 -2.231 -8.337 640 H GLY 81 H GLY 81 3.107 -6.755 -10.303 641 1HA GLY 81 2HA GLY 81 5.786 -7.999 -10.234 642 2HA GLY 81 1HA GLY 81 4.322 -8.971 -10.253 643 H HIS 82 H HIS 82 5.828 -6.320 -12.099 644 HA HIS 82 HA HIS 82 4.620 -7.362 -14.544 645 1HB HIS 82 2HB HIS 82 4.803 -4.841 -13.781 646 2HB HIS 82 1HB HIS 82 6.401 -4.960 -14.511 647 HD1 HIS 82 1HD HIS 82 2.946 -4.281 -15.325 648 HD2 HIS 82 2HD HIS 82 6.240 -5.820 -17.338 649 HE1 HIS 82 1HE HIS 82 2.390 -4.090 -17.770 650 HE2 HIS 82 2HE HIS 82 4.434 -4.944 -18.969 651 H GLY 83 H GLY 83 7.720 -7.051 -12.967 652 1HA GLY 83 2HA GLY 83 9.663 -8.236 -13.401 653 2HA GLY 83 1HA GLY 83 8.880 -8.943 -14.806 654 H SER 84 H SER 84 8.810 -5.511 -14.536 655 HA SER 84 HA SER 84 10.954 -5.324 -16.550 656 1HB SER 84 2HB SER 84 8.556 -3.494 -16.340 657 2HB SER 84 1HB SER 84 9.754 -3.545 -17.634 658 HG SER 84 HG SER 84 8.260 -4.791 -18.490 659 H VAL 85 H VAL 85 10.069 -4.485 -13.439 660 HA VAL 85 HA VAL 85 10.698 -2.874 -11.943 661 HB VAL 85 HB VAL 85 13.121 -2.476 -11.848 662 1HG1 VAL 85 1HG1 VAL 85 12.296 -5.311 -12.454 663 2HG1 VAL 85 2HG1 VAL 85 12.280 -4.510 -10.883 664 3HG1 VAL 85 3HG1 VAL 85 13.814 -4.854 -11.681 665 1HG2 VAL 85 1HG2 VAL 85 14.627 -3.280 -13.506 666 2HG2 VAL 85 2HG2 VAL 85 13.414 -2.305 -14.336 667 3HG2 VAL 85 3HG2 VAL 85 13.324 -4.065 -14.398 668 H ASP 86 H ASP 86 9.532 -1.805 -14.387 669 HA ASP 86 HA ASP 86 10.947 0.774 -14.563 670 1HB ASP 86 2HB ASP 86 9.734 1.095 -16.707 671 2HB ASP 86 1HB ASP 86 10.781 -0.322 -16.723 672 H THR 87 H THR 87 8.229 -0.723 -13.256 673 HA THR 87 HA THR 87 6.550 1.655 -13.378 674 HB THR 87 HB THR 87 5.729 -0.817 -13.510 675 HG1 THR 87 1HG THR 87 4.425 0.939 -11.712 676 1HG2 THR 87 1HG2 THR 87 6.760 -1.672 -11.486 677 2HG2 THR 87 2HG2 THR 87 5.002 -1.755 -11.382 678 3HG2 THR 87 3HG2 THR 87 5.876 -0.490 -10.521 679 H ALA 88 H ALA 88 8.520 -0.178 -11.135 680 HA ALA 88 HA ALA 88 7.830 1.080 -8.739 681 1HB ALA 88 1HB ALA 88 9.954 0.298 -7.893 682 2HB ALA 88 2HB ALA 88 10.562 0.075 -9.533 683 3HB ALA 88 3HB ALA 88 9.254 -0.944 -8.932 684 H VAL 89 H VAL 89 10.570 1.758 -10.885 685 HA VAL 89 HA VAL 89 11.472 4.086 -9.667 686 HB VAL 89 HB VAL 89 12.578 4.615 -11.768 687 1HG1 VAL 89 1HG1 VAL 89 12.568 1.856 -10.714 688 2HG1 VAL 89 2HG1 VAL 89 13.888 3.018 -10.844 689 3HG1 VAL 89 3HG1 VAL 89 13.374 2.106 -12.262 690 1HG2 VAL 89 1HG2 VAL 89 12.027 2.759 -13.630 691 2HG2 VAL 89 2HG2 VAL 89 11.237 4.335 -13.570 692 3HG2 VAL 89 3HG2 VAL 89 10.435 2.920 -12.888 693 H LYS 90 H LYS 90 8.752 3.528 -11.745 694 HA LYS 90 HA LYS 90 8.308 6.308 -12.366 695 1HB LYS 90 2HB LYS 90 7.659 4.698 -14.014 696 2HB LYS 90 1HB LYS 90 6.712 3.793 -12.844 697 1HG LYS 90 2HG LYS 90 5.133 5.653 -12.685 698 2HG LYS 90 1HG LYS 90 6.083 6.554 -13.869 699 1HD LYS 90 2HD LYS 90 4.269 5.545 -15.039 700 2HD LYS 90 1HD LYS 90 5.729 4.650 -15.463 701 1HE LYS 90 2HE LYS 90 5.117 2.803 -14.212 702 2HE LYS 90 1HE LYS 90 4.026 3.733 -13.186 703 1HZ LYS 90 1HZ LYS 90 3.375 3.562 -16.027 704 2HZ LYS 90 2HZ LYS 90 2.348 3.591 -14.682 705 3HZ LYS 90 3HZ LYS 90 3.153 2.165 -15.102 706 H ALA 91 H ALA 91 7.466 4.144 -9.826 707 HA ALA 91 HA ALA 91 5.273 5.871 -8.933 708 1HB ALA 91 1HB ALA 91 5.250 3.892 -7.132 709 2HB ALA 91 2HB ALA 91 6.005 3.045 -8.483 710 3HB ALA 91 3HB ALA 91 4.420 3.792 -8.685 711 H ILE 92 H ILE 92 8.393 4.579 -7.874 712 HA ILE 92 HA ILE 92 8.334 5.770 -5.304 713 HB ILE 92 HB ILE 92 10.616 5.150 -5.071 714 1HG1 ILE 92 2HG1 ILE 92 10.671 4.849 -8.085 715 2HG1 ILE 92 1HG1 ILE 92 11.496 6.091 -7.150 716 1HG2 ILE 92 1HG2 ILE 92 10.495 2.786 -6.324 717 2HG2 ILE 92 2HG2 ILE 92 8.807 3.273 -6.466 718 3HG2 ILE 92 3HG2 ILE 92 9.559 3.160 -4.876 719 1HD1 ILE 92 1HD1 ILE 92 12.948 4.450 -6.166 720 2HD1 ILE 92 2HD1 ILE 92 12.983 4.283 -7.921 721 3HD1 ILE 92 3HD1 ILE 92 12.058 3.143 -6.945 722 H LYS 93 H LYS 93 9.342 6.881 -8.452 723 HA LYS 93 HA LYS 93 10.849 9.120 -7.612 724 1HB LYS 93 2HB LYS 93 10.880 8.125 -9.911 725 2HB LYS 93 1HB LYS 93 9.289 8.823 -10.183 726 1HG LYS 93 2HG LYS 93 10.134 10.828 -10.638 727 2HG LYS 93 1HG LYS 93 11.203 10.786 -9.234 728 1HD LYS 93 2HD LYS 93 11.957 9.004 -11.455 729 2HD LYS 93 1HD LYS 93 12.061 10.732 -11.799 730 1HE LYS 93 2HE LYS 93 13.341 9.342 -9.448 731 2HE LYS 93 1HE LYS 93 14.175 9.811 -10.929 732 1HZ LYS 93 1HZ LYS 93 14.628 11.605 -9.635 733 2HZ LYS 93 2HZ LYS 93 13.202 11.479 -8.732 734 3HZ LYS 93 3HZ LYS 93 13.163 12.137 -10.290 735 H LYS 94 H LYS 94 7.449 8.520 -7.890 736 HA LYS 94 HA LYS 94 6.625 11.252 -7.936 737 1HB LYS 94 2HB LYS 94 5.177 8.684 -7.334 738 2HB LYS 94 1HB LYS 94 4.387 10.254 -7.288 739 1HG LYS 94 2HG LYS 94 5.826 9.208 -9.709 740 2HG LYS 94 1HG LYS 94 4.104 8.956 -9.415 741 1HD LYS 94 2HD LYS 94 3.628 11.247 -9.582 742 2HD LYS 94 1HD LYS 94 5.321 11.701 -9.381 743 1HE LYS 94 2HE LYS 94 3.989 10.467 -11.777 744 2HE LYS 94 1HE LYS 94 4.831 12.013 -11.670 745 1HZ LYS 94 1HZ LYS 94 6.450 10.760 -12.617 746 2HZ LYS 94 2HZ LYS 94 5.922 9.314 -11.916 747 3HZ LYS 94 3HZ LYS 94 6.807 10.426 -10.997 748 H GLY 95 H GLY 95 6.380 8.755 -5.384 749 1HA GLY 95 2HA GLY 95 7.364 10.424 -3.343 750 2HA GLY 95 1HA GLY 95 5.612 10.525 -3.349 751 H ALA 96 H ALA 96 7.366 7.587 -4.190 752 HA ALA 96 HA ALA 96 6.055 6.252 -1.960 753 1HB ALA 96 1HB ALA 96 6.162 4.344 -3.159 754 2HB ALA 96 2HB ALA 96 7.799 4.670 -3.731 755 3HB ALA 96 3HB ALA 96 6.421 5.446 -4.511 756 H TYR 97 H TYR 97 7.871 4.171 -1.499 757 HA TYR 97 HA TYR 97 9.975 5.654 -0.104 758 1HB TYR 97 2HB TYR 97 8.886 4.563 1.593 759 2HB TYR 97 1HB TYR 97 8.395 3.225 0.563 760 HD1 TYR 97 1HD TYR 97 11.331 4.673 2.329 761 HD2 TYR 97 2HD TYR 97 9.572 1.197 0.618 762 HE1 TYR 97 1HE TYR 97 13.135 3.298 3.280 763 HE2 TYR 97 2HE TYR 97 11.369 -0.187 1.565 764 HH TYR 97 HH TYR 97 13.001 -0.124 3.342 765 H GLU 98 H GLU 98 9.430 3.323 -2.515 766 HA GLU 98 HA GLU 98 11.576 3.268 -3.967 767 1HB GLU 98 2HB GLU 98 13.254 1.670 -3.056 768 2HB GLU 98 1HB GLU 98 13.153 3.172 -2.153 769 1HG GLU 98 2HG GLU 98 12.705 2.080 -0.280 770 2HG GLU 98 1HG GLU 98 11.357 1.235 -1.039 771 H PHE 99 H PHE 99 8.875 1.876 -3.208 772 HA PHE 99 HA PHE 99 7.696 0.088 -3.979 773 1HB PHE 99 2HB PHE 99 9.603 0.677 -5.972 774 2HB PHE 99 1HB PHE 99 9.608 -1.073 -5.798 775 HD1 PHE 99 1HD PHE 99 8.198 -2.230 -7.177 776 HD2 PHE 99 2HD PHE 99 7.107 1.697 -5.951 777 HE1 PHE 99 1HE PHE 99 6.169 -2.367 -8.561 778 HE2 PHE 99 2HE PHE 99 5.077 1.567 -7.334 779 HZ PHE 99 HZ PHE 99 4.605 -0.466 -8.640 780 H LEU 100 H LEU 100 7.691 -2.324 -4.062 781 HA LEU 100 HA LEU 100 9.642 -3.388 -2.145 782 1HB LEU 100 2HB LEU 100 7.095 -3.332 -1.683 783 2HB LEU 100 1HB LEU 100 7.011 -4.667 -2.814 784 HG LEU 100 HG LEU 100 7.060 -5.546 -0.581 785 1HD1 LEU 100 1HD1 LEU 100 8.415 -6.612 -2.459 786 2HD1 LEU 100 2HD1 LEU 100 8.788 -7.105 -0.808 787 3HD1 LEU 100 3HD1 LEU 100 9.834 -5.956 -1.643 788 1HD2 LEU 100 1HD2 LEU 100 9.591 -3.942 -0.243 789 2HD2 LEU 100 2HD2 LEU 100 8.983 -5.131 0.909 790 3HD2 LEU 100 3HD2 LEU 100 8.052 -3.670 0.576 791 H GLU 101 H GLU 101 11.259 -4.134 -3.446 792 HA GLU 101 HA GLU 101 10.890 -5.448 -5.910 793 1HB GLU 101 2HB GLU 101 13.248 -6.132 -5.672 794 2HB GLU 101 1HB GLU 101 13.013 -4.423 -5.329 795 1HG GLU 101 2HG GLU 101 12.926 -5.080 -2.880 796 2HG GLU 101 1HG GLU 101 13.529 -6.655 -3.394 797 H LYS 102 H LYS 102 11.582 -7.716 -6.353 798 HA LYS 102 HA LYS 102 11.304 -9.956 -6.133 799 1HB LYS 102 2HB LYS 102 12.002 -9.074 -3.402 800 2HB LYS 102 1HB LYS 102 11.211 -10.640 -3.508 801 1HG LYS 102 2HG LYS 102 13.564 -10.990 -3.552 802 2HG LYS 102 1HG LYS 102 12.934 -11.328 -5.165 803 1HD LYS 102 2HD LYS 102 13.764 -8.545 -4.734 804 2HD LYS 102 1HD LYS 102 15.072 -9.727 -4.631 805 1HE LYS 102 2HE LYS 102 13.708 -10.566 -6.847 806 2HE LYS 102 1HE LYS 102 13.532 -8.815 -6.947 807 1HZ LYS 102 1HZ LYS 102 15.603 -10.032 -7.958 808 2HZ LYS 102 2HZ LYS 102 16.188 -9.909 -6.376 809 3HZ LYS 102 3HZ LYS 102 15.757 -8.513 -7.230 810 HA PRO 103 HA PRO 103 6.787 -9.094 -5.026 811 1HB PRO 103 2HB PRO 103 6.310 -9.596 -7.879 812 2HB PRO 103 1HB PRO 103 5.787 -8.240 -6.879 813 1HG PRO 103 2HG PRO 103 7.680 -7.979 -8.779 814 2HG PRO 103 1HG PRO 103 7.704 -7.033 -7.279 815 1HD PRO 103 2HD PRO 103 9.300 -9.456 -8.018 816 2HD PRO 103 1HD PRO 103 9.804 -7.993 -7.151 817 H PHE 104 H PHE 104 7.798 -11.325 -4.201 818 HA PHE 104 HA PHE 104 6.165 -13.410 -5.458 819 1HB PHE 104 2HB PHE 104 9.006 -13.319 -5.516 820 2HB PHE 104 1HB PHE 104 8.538 -14.627 -4.436 821 HD1 PHE 104 1HD PHE 104 8.303 -13.341 -7.872 822 HD2 PHE 104 2HD PHE 104 7.522 -16.613 -5.265 823 HE1 PHE 104 1HE PHE 104 7.866 -14.782 -9.817 824 HE2 PHE 104 2HE PHE 104 7.085 -18.060 -7.206 825 HZ PHE 104 HZ PHE 104 7.256 -17.145 -9.486 826 H SER 105 H SER 105 8.391 -12.979 -2.700 827 HA SER 105 HA SER 105 6.482 -14.413 -1.007 828 1HB SER 105 2HB SER 105 8.256 -14.872 0.459 829 2HB SER 105 1HB SER 105 9.007 -14.961 -1.133 830 HG SER 105 HG SER 105 9.534 -12.650 -0.733 831 H VAL 106 H VAL 106 5.429 -13.502 0.667 832 HA VAL 106 HA VAL 106 5.360 -10.622 0.811 833 HB VAL 106 HB VAL 106 3.293 -11.950 0.982 834 1HG1 VAL 106 1HG1 VAL 106 3.894 -12.747 3.772 835 2HG1 VAL 106 2HG1 VAL 106 4.630 -13.694 2.480 836 3HG1 VAL 106 3HG1 VAL 106 2.876 -13.528 2.562 837 1HG2 VAL 106 1HG2 VAL 106 3.703 -10.564 3.612 838 2HG2 VAL 106 2HG2 VAL 106 2.256 -10.624 2.604 839 3HG2 VAL 106 3HG2 VAL 106 3.648 -9.669 2.093 840 H GLU 107 H GLU 107 6.543 -13.278 2.807 841 HA GLU 107 HA GLU 107 6.989 -12.101 5.219 842 1HB GLU 107 2HB GLU 107 7.568 -14.464 4.440 843 2HB GLU 107 1HB GLU 107 9.095 -13.786 3.892 844 1HG GLU 107 2HG GLU 107 9.212 -12.866 6.333 845 2HG GLU 107 1HG GLU 107 8.073 -14.173 6.654 846 H ARG 108 H ARG 108 8.958 -11.770 2.305 847 HA ARG 108 HA ARG 108 11.027 -10.231 3.447 848 1HB ARG 108 2HB ARG 108 10.775 -11.409 1.088 849 2HB ARG 108 1HB ARG 108 10.207 -9.818 0.604 850 1HG ARG 108 2HG ARG 108 12.299 -9.144 0.388 851 2HG ARG 108 1HG ARG 108 12.570 -9.440 2.105 852 1HD ARG 108 2HD ARG 108 12.604 -11.919 0.644 853 2HD ARG 108 1HD ARG 108 13.736 -10.771 -0.069 854 HE ARG 108 HE ARG 108 15.046 -10.937 1.805 855 1HH1 ARG 108 1HH1 ARG 108 11.929 -12.364 2.457 856 2HH1 ARG 108 2HH1 ARG 108 12.418 -13.046 3.971 857 1HH2 ARG 108 1HH2 ARG 108 15.691 -11.830 3.796 858 2HH2 ARG 108 2HH2 ARG 108 14.555 -12.742 4.733 859 H PHE 109 H PHE 109 7.895 -9.430 2.106 860 HA PHE 109 HA PHE 109 8.259 -6.621 1.988 861 1HB PHE 109 2HB PHE 109 6.496 -7.537 0.680 862 2HB PHE 109 1HB PHE 109 5.809 -8.384 2.060 863 HD1 PHE 109 1HD PHE 109 6.907 -4.846 1.829 864 HD2 PHE 109 2HD PHE 109 3.645 -7.553 2.201 865 HE1 PHE 109 1HE PHE 109 5.390 -2.955 2.243 866 HE2 PHE 109 2HE PHE 109 2.121 -5.667 2.615 867 HZ PHE 109 HZ PHE 109 2.996 -3.364 2.637 868 H LEU 110 H LEU 110 7.392 -8.844 4.522 869 HA LEU 110 HA LEU 110 6.111 -7.245 6.355 870 1HB LEU 110 2HB LEU 110 7.197 -9.761 6.349 871 2HB LEU 110 1HB LEU 110 8.150 -8.934 7.565 872 HG LEU 110 HG LEU 110 5.173 -8.739 7.684 873 1HD1 LEU 110 1HD1 LEU 110 4.999 -10.780 8.925 874 2HD1 LEU 110 2HD1 LEU 110 6.737 -11.056 8.806 875 3HD1 LEU 110 3HD1 LEU 110 5.730 -11.140 7.361 876 1HD2 LEU 110 1HD2 LEU 110 7.484 -8.242 9.414 877 2HD2 LEU 110 2HD2 LEU 110 6.142 -9.069 10.206 878 3HD2 LEU 110 3HD2 LEU 110 5.880 -7.512 9.422 879 H LEU 111 H LEU 111 9.579 -7.528 5.758 880 HA LEU 111 HA LEU 111 10.523 -5.959 7.852 881 1HB LEU 111 2HB LEU 111 11.647 -6.188 5.059 882 2HB LEU 111 1HB LEU 111 12.514 -5.593 6.463 883 HG LEU 111 HG LEU 111 11.670 -8.076 7.301 884 1HD1 LEU 111 1HD1 LEU 111 12.205 -8.135 4.353 885 2HD1 LEU 111 2HD1 LEU 111 10.901 -8.899 5.261 886 3HD1 LEU 111 3HD1 LEU 111 12.543 -9.529 5.378 887 1HD2 LEU 111 1HD2 LEU 111 13.949 -6.809 7.334 888 2HD2 LEU 111 2HD2 LEU 111 14.287 -7.776 5.897 889 3HD2 LEU 111 3HD2 LEU 111 13.915 -8.570 7.428 890 H THR 112 H THR 112 9.867 -4.930 4.496 891 HA THR 112 HA THR 112 10.381 -2.255 4.689 892 HB THR 112 HB THR 112 8.095 -3.549 3.191 893 HG1 THR 112 1HG THR 112 10.754 -2.945 2.412 894 1HG2 THR 112 1HG2 THR 112 8.896 -1.502 1.630 895 2HG2 THR 112 2HG2 THR 112 9.078 -0.787 3.232 896 3HG2 THR 112 3HG2 THR 112 7.519 -1.437 2.728 897 H ILE 113 H ILE 113 7.376 -3.898 5.628 898 HA ILE 113 HA ILE 113 5.833 -1.679 6.282 899 HB ILE 113 HB ILE 113 5.903 -4.441 7.498 900 1HG1 ILE 113 2HG1 ILE 113 5.198 -4.374 5.177 901 2HG1 ILE 113 1HG1 ILE 113 3.807 -4.715 6.200 902 1HG2 ILE 113 1HG2 ILE 113 3.944 -2.214 8.023 903 2HG2 ILE 113 2HG2 ILE 113 5.005 -3.001 9.192 904 3HG2 ILE 113 3HG2 ILE 113 3.678 -3.903 8.459 905 1HD1 ILE 113 1HD1 ILE 113 3.868 -1.941 5.947 906 2HD1 ILE 113 2HD1 ILE 113 2.754 -3.066 5.173 907 3HD1 ILE 113 3HD1 ILE 113 4.228 -2.573 4.340 908 H LYS 114 H LYS 114 7.465 -3.725 8.690 909 HA LYS 114 HA LYS 114 7.343 -1.939 10.814 910 1HB LYS 114 2HB LYS 114 7.870 -4.216 11.247 911 2HB LYS 114 1HB LYS 114 9.255 -4.178 10.173 912 1HG LYS 114 2HG LYS 114 9.224 -2.398 12.564 913 2HG LYS 114 1HG LYS 114 9.553 -4.116 12.774 914 1HD LYS 114 2HD LYS 114 11.132 -2.082 11.219 915 2HD LYS 114 1HD LYS 114 11.664 -3.099 12.552 916 1HE LYS 114 2HE LYS 114 10.917 -4.978 10.753 917 2HE LYS 114 1HE LYS 114 11.460 -3.690 9.677 918 1HZ LYS 114 1HZ LYS 114 13.598 -3.810 10.466 919 2HZ LYS 114 2HZ LYS 114 13.140 -5.435 10.556 920 3HZ LYS 114 3HZ LYS 114 13.147 -4.482 11.953 921 H HIS 115 H HIS 115 9.282 -1.818 8.012 922 HA HIS 115 HA HIS 115 11.304 -0.098 9.198 923 1HB HIS 115 2HB HIS 115 11.036 -1.624 6.718 924 2HB HIS 115 1HB HIS 115 11.768 -0.038 6.506 925 HD1 HIS 115 1HD HIS 115 12.664 -3.409 7.204 926 HD2 HIS 115 2HD HIS 115 14.007 0.299 8.514 927 HE1 HIS 115 1HE HIS 115 14.962 -3.818 8.143 928 HE2 HIS 115 2HE HIS 115 15.785 -1.546 8.854 929 H ALA 116 H ALA 116 8.326 0.109 7.517 930 HA ALA 116 HA ALA 116 8.744 2.827 6.586 931 1HB ALA 116 1HB ALA 116 6.558 2.665 5.625 932 2HB ALA 116 2HB ALA 116 6.193 1.220 6.569 933 3HB ALA 116 3HB ALA 116 7.411 1.159 5.296 934 H PHE 117 H PHE 117 7.015 1.135 9.145 935 HA PHE 117 HA PHE 117 5.635 3.439 10.114 936 1HB PHE 117 2HB PHE 117 6.108 0.663 11.147 937 2HB PHE 117 1HB PHE 117 5.426 1.888 12.210 938 HD1 PHE 117 1HD PHE 117 3.279 3.015 11.534 939 HD2 PHE 117 2HD PHE 117 4.783 -0.447 9.566 940 HE1 PHE 117 1HE PHE 117 1.042 2.572 10.610 941 HE2 PHE 117 2HE PHE 117 2.550 -0.895 8.639 942 HZ PHE 117 HZ PHE 117 0.675 0.622 9.160 943 H GLU 118 H GLU 118 8.641 1.795 10.963 944 HA GLU 118 HA GLU 118 9.168 3.412 13.256 945 1HB GLU 118 2HB GLU 118 10.765 1.452 11.658 946 2HB GLU 118 1HB GLU 118 11.542 2.443 12.885 947 1HG GLU 118 2HG GLU 118 9.385 1.471 14.234 948 2HG GLU 118 1HG GLU 118 9.788 0.125 13.168 949 H GLU 119 H GLU 119 9.839 3.686 9.853 950 HA GLU 119 HA GLU 119 11.887 5.659 10.109 951 1HB GLU 119 2HB GLU 119 10.380 4.417 7.898 952 2HB GLU 119 1HB GLU 119 11.037 6.020 7.594 953 1HG GLU 119 2HG GLU 119 13.227 4.969 8.563 954 2HG GLU 119 1HG GLU 119 12.451 3.455 8.103 955 H TYR 120 H TYR 120 8.624 5.815 10.697 956 HA TYR 120 HA TYR 120 8.658 8.728 10.397 957 1HB TYR 120 2HB TYR 120 7.220 7.130 8.678 958 2HB TYR 120 1HB TYR 120 6.022 7.545 9.901 959 HD1 TYR 120 1HD TYR 120 6.512 10.244 10.627 960 HD2 TYR 120 2HD TYR 120 6.949 8.435 6.801 961 HE1 TYR 120 1HE TYR 120 6.180 12.434 9.560 962 HE2 TYR 120 2HE TYR 120 6.620 10.621 5.724 963 HH TYR 120 HH TYR 120 5.295 13.185 7.132 964 H SER 121 H SER 121 9.036 6.967 12.683 965 HA SER 121 HA SER 121 7.477 8.312 14.579 966 1HB SER 121 2HB SER 121 6.281 5.860 13.479 967 2HB SER 121 1HB SER 121 6.370 5.891 15.240 968 HG SER 121 HG SER 121 5.351 8.062 13.741 Start of MODEL 27 1 1H MET 1 1HT MET 1 -4.034 -0.268 18.254 2 2H MET 1 2HT MET 1 -3.825 -1.493 17.071 3 3H MET 1 3HT MET 1 -4.507 0.019 16.632 4 HA MET 1 HA MET 1 -2.531 1.131 16.873 5 1HB MET 1 2HB MET 1 -1.813 -1.299 18.467 6 2HB MET 1 1HB MET 1 -0.526 -0.353 17.730 7 1HG MET 1 2HG MET 1 -2.111 1.547 18.952 8 2HG MET 1 1HG MET 1 -2.129 0.194 20.081 9 1HE MET 1 1HE MET 1 0.143 -1.251 19.938 10 2HE MET 1 2HE MET 1 1.553 -0.516 20.700 11 3HE MET 1 3HE MET 1 1.435 -0.581 18.942 12 H LYS 2 H LYS 2 -1.040 1.221 15.219 13 HA LYS 2 HA LYS 2 -0.072 0.718 13.224 14 1HB LYS 2 2HB LYS 2 -0.303 -2.159 14.124 15 2HB LYS 2 1HB LYS 2 0.768 -1.533 12.876 16 1HG LYS 2 2HG LYS 2 0.956 -0.480 15.663 17 2HG LYS 2 1HG LYS 2 1.693 -2.029 15.245 18 1HD LYS 2 2HD LYS 2 2.867 -0.845 13.364 19 2HD LYS 2 1HD LYS 2 2.276 0.673 14.044 20 1HE LYS 2 2HE LYS 2 3.700 0.597 15.805 21 2HE LYS 2 1HE LYS 2 3.644 -1.163 15.911 22 1HZ LYS 2 1HZ LYS 2 5.370 -1.392 14.502 23 2HZ LYS 2 2HZ LYS 2 5.753 0.171 15.023 24 3HZ LYS 2 3HZ LYS 2 4.943 -0.057 13.556 25 H ARG 3 H ARG 3 -1.163 1.010 11.405 26 HA ARG 3 HA ARG 3 -3.073 -1.002 10.521 27 1HB ARG 3 2HB ARG 3 -3.904 1.891 10.487 28 2HB ARG 3 1HB ARG 3 -4.897 0.465 10.217 29 1HG ARG 3 2HG ARG 3 -5.514 1.176 12.337 30 2HG ARG 3 1HG ARG 3 -4.366 -0.125 12.655 31 1HD ARG 3 2HD ARG 3 -3.220 1.296 13.923 32 2HD ARG 3 1HD ARG 3 -2.815 2.188 12.460 33 HE ARG 3 HE ARG 3 -4.855 2.874 14.423 34 1HH1 ARG 3 1HH1 ARG 3 -3.358 3.577 11.344 35 2HH1 ARG 3 2HH1 ARG 3 -3.993 5.183 11.265 36 1HH2 ARG 3 1HH2 ARG 3 -5.686 4.987 14.314 37 2HH2 ARG 3 2HH2 ARG 3 -5.310 5.986 12.949 38 H VAL 4 H VAL 4 -2.722 -1.431 8.444 39 HA VAL 4 HA VAL 4 -1.489 0.662 6.771 40 HB VAL 4 HB VAL 4 -1.106 -2.319 6.460 41 1HG1 VAL 4 1HG1 VAL 4 0.891 -1.400 5.089 42 2HG1 VAL 4 2HG1 VAL 4 -0.048 0.089 5.036 43 3HG1 VAL 4 3HG1 VAL 4 -0.719 -1.397 4.369 44 1HG2 VAL 4 1HG2 VAL 4 0.816 -0.295 7.605 45 2HG2 VAL 4 2HG2 VAL 4 1.108 -2.020 7.393 46 3HG2 VAL 4 3HG2 VAL 4 -0.100 -1.467 8.553 47 H LEU 5 H LEU 5 -1.970 0.508 4.459 48 HA LEU 5 HA LEU 5 -4.663 -0.586 3.984 49 1HB LEU 5 2HB LEU 5 -4.510 1.887 3.938 50 2HB LEU 5 1HB LEU 5 -3.342 1.771 2.637 51 HG LEU 5 HG LEU 5 -5.093 0.651 1.245 52 1HD1 LEU 5 1HD1 LEU 5 -7.314 0.509 1.914 53 2HD1 LEU 5 2HD1 LEU 5 -7.085 1.635 3.251 54 3HD1 LEU 5 3HD1 LEU 5 -6.423 0.005 3.350 55 1HD2 LEU 5 1HD2 LEU 5 -6.280 3.240 2.041 56 2HD2 LEU 5 2HD2 LEU 5 -5.814 2.644 0.448 57 3HD2 LEU 5 3HD2 LEU 5 -4.586 3.255 1.554 58 H VAL 6 H VAL 6 -4.992 -1.903 2.263 59 HA VAL 6 HA VAL 6 -2.661 -2.404 0.521 60 HB VAL 6 HB VAL 6 -4.718 -4.498 1.171 61 1HG1 VAL 6 1HG1 VAL 6 -3.500 -5.189 -0.676 62 2HG1 VAL 6 2HG1 VAL 6 -2.624 -5.933 0.662 63 3HG1 VAL 6 3HG1 VAL 6 -2.004 -4.462 -0.088 64 1HG2 VAL 6 1HG2 VAL 6 -3.322 -5.353 2.922 65 2HG2 VAL 6 2HG2 VAL 6 -3.672 -3.660 3.269 66 3HG2 VAL 6 3HG2 VAL 6 -2.100 -4.118 2.616 67 H VAL 7 H VAL 7 -3.319 -1.105 -1.197 68 HA VAL 7 HA VAL 7 -5.969 -1.358 -2.299 69 HB VAL 7 HB VAL 7 -3.556 -0.045 -3.567 70 1HG1 VAL 7 1HG1 VAL 7 -5.312 -0.435 -5.156 71 2HG1 VAL 7 2HG1 VAL 7 -5.287 1.281 -4.753 72 3HG1 VAL 7 3HG1 VAL 7 -6.517 0.229 -4.054 73 1HG2 VAL 7 1HG2 VAL 7 -5.548 0.984 -1.568 74 2HG2 VAL 7 2HG2 VAL 7 -4.687 2.068 -2.661 75 3HG2 VAL 7 3HG2 VAL 7 -3.787 1.068 -1.520 76 H ASP 8 H ASP 8 -6.613 -2.963 -3.577 77 HA ASP 8 HA ASP 8 -4.985 -3.924 -5.722 78 1HB ASP 8 2HB ASP 8 -3.922 -5.225 -4.006 79 2HB ASP 8 1HB ASP 8 -5.471 -5.714 -3.332 80 H ASP 9 H ASP 9 -6.128 -5.363 -7.129 81 HA ASP 9 HA ASP 9 -8.984 -4.914 -7.051 82 1HB ASP 9 2HB ASP 9 -7.759 -4.588 -9.149 83 2HB ASP 9 1HB ASP 9 -7.255 -6.274 -9.131 84 H GLU 10 H GLU 10 -8.400 -6.493 -4.963 85 HA GLU 10 HA GLU 10 -9.506 -9.093 -5.776 86 1HB GLU 10 2HB GLU 10 -6.965 -8.935 -5.000 87 2HB GLU 10 1HB GLU 10 -7.704 -8.981 -3.406 88 1HG GLU 10 2HG GLU 10 -8.403 -11.131 -3.635 89 2HG GLU 10 1HG GLU 10 -8.580 -11.005 -5.385 90 H GLU 11 H GLU 11 -11.124 -9.891 -4.506 91 HA GLU 11 HA GLU 11 -12.635 -8.137 -2.951 92 1HB GLU 11 2HB GLU 11 -13.346 -10.330 -4.078 93 2HB GLU 11 1HB GLU 11 -12.740 -11.130 -2.635 94 1HG GLU 11 2HG GLU 11 -14.316 -9.275 -1.503 95 2HG GLU 11 1HG GLU 11 -15.165 -9.510 -3.030 96 H SER 12 H SER 12 -11.003 -11.056 -1.700 97 HA SER 12 HA SER 12 -10.981 -9.916 0.963 98 1HB SER 12 2HB SER 12 -10.301 -12.070 1.719 99 2HB SER 12 1HB SER 12 -11.479 -12.358 0.439 100 HG SER 12 HG SER 12 -9.052 -13.303 0.575 101 H ILE 13 H ILE 13 -8.650 -10.974 2.011 102 HA ILE 13 HA ILE 13 -6.797 -8.970 1.655 103 HB ILE 13 HB ILE 13 -5.908 -11.767 2.306 104 1HG1 ILE 13 2HG1 ILE 13 -7.849 -11.506 3.673 105 2HG1 ILE 13 1HG1 ILE 13 -6.464 -11.162 4.703 106 1HG2 ILE 13 1HG2 ILE 13 -4.021 -10.516 2.388 107 2HG2 ILE 13 2HG2 ILE 13 -4.611 -10.192 4.016 108 3HG2 ILE 13 3HG2 ILE 13 -4.893 -9.022 2.727 109 1HD1 ILE 13 1HD1 ILE 13 -7.185 -8.698 3.640 110 2HD1 ILE 13 2HD1 ILE 13 -7.483 -9.285 5.276 111 3HD1 ILE 13 3HD1 ILE 13 -8.709 -9.496 4.027 112 H THR 14 H THR 14 -4.542 -9.162 0.768 113 HA THR 14 HA THR 14 -4.742 -10.097 -1.965 114 HB THR 14 HB THR 14 -2.709 -8.781 -2.362 115 HG1 THR 14 1HG THR 14 -1.785 -7.631 -0.674 116 1HG2 THR 14 1HG2 THR 14 -3.577 -6.617 -2.081 117 2HG2 THR 14 2HG2 THR 14 -4.549 -7.101 -0.692 118 3HG2 THR 14 3HG2 THR 14 -4.975 -7.668 -2.308 119 H SER 15 H SER 15 -1.596 -9.936 -0.546 120 HA SER 15 HA SER 15 -1.181 -12.743 -1.207 121 1HB SER 15 2HB SER 15 0.367 -10.662 -1.790 122 2HB SER 15 1HB SER 15 1.044 -11.025 -0.204 123 HG SER 15 HG SER 15 1.325 -12.360 -2.562 124 H SER 16 H SER 16 1.098 -13.070 0.573 125 HA SER 16 HA SER 16 -0.011 -14.433 2.675 126 1HB SER 16 2HB SER 16 2.652 -12.996 2.655 127 2HB SER 16 1HB SER 16 2.188 -14.269 3.783 128 HG SER 16 HG SER 16 1.988 -15.674 1.991 129 H LEU 17 H LEU 17 0.315 -11.023 2.314 130 HA LEU 17 HA LEU 17 0.497 -9.826 4.666 131 1HB LEU 17 2HB LEU 17 -0.822 -9.271 2.245 132 2HB LEU 17 1HB LEU 17 -2.015 -8.978 3.486 133 HG LEU 17 HG LEU 17 0.054 -7.264 2.583 134 1HD1 LEU 17 1HD1 LEU 17 -1.258 -5.674 3.479 135 2HD1 LEU 17 2HD1 LEU 17 -1.476 -6.545 4.995 136 3HD1 LEU 17 3HD1 LEU 17 -2.414 -7.003 3.573 137 1HD2 LEU 17 1HD2 LEU 17 1.076 -6.605 4.735 138 2HD2 LEU 17 2HD2 LEU 17 1.575 -8.208 4.202 139 3HD2 LEU 17 3HD2 LEU 17 0.373 -8.040 5.481 140 H SER 18 H SER 18 -2.429 -11.502 3.605 141 HA SER 18 HA SER 18 -4.097 -11.130 5.746 142 1HB SER 18 2HB SER 18 -4.526 -12.406 3.569 143 2HB SER 18 1HB SER 18 -3.800 -13.802 4.362 144 HG SER 18 HG SER 18 -5.772 -14.096 5.053 145 H ALA 19 H ALA 19 -2.129 -14.082 5.366 146 HA ALA 19 HA ALA 19 -2.440 -15.008 7.975 147 1HB ALA 19 1HB ALA 19 -0.931 -15.728 5.654 148 2HB ALA 19 2HB ALA 19 -1.427 -16.736 7.014 149 3HB ALA 19 3HB ALA 19 0.098 -15.851 7.081 150 H ILE 20 H ILE 20 -0.017 -12.872 6.576 151 HA ILE 20 HA ILE 20 1.732 -12.744 8.764 152 HB ILE 20 HB ILE 20 1.181 -10.903 6.464 153 1HG1 ILE 20 2HG1 ILE 20 3.811 -12.126 7.140 154 2HG1 ILE 20 1HG1 ILE 20 2.539 -13.152 6.483 155 1HG2 ILE 20 1HG2 ILE 20 2.985 -10.372 8.802 156 2HG2 ILE 20 2HG2 ILE 20 1.756 -9.319 8.099 157 3HG2 ILE 20 3HG2 ILE 20 3.250 -9.639 7.218 158 1HD1 ILE 20 1HD1 ILE 20 3.967 -12.389 4.711 159 2HD1 ILE 20 2HD1 ILE 20 3.723 -10.709 5.191 160 3HD1 ILE 20 3HD1 ILE 20 2.376 -11.646 4.545 161 H LEU 21 H LEU 21 -0.634 -10.237 7.781 162 HA LEU 21 HA LEU 21 -0.495 -8.587 9.942 163 1HB LEU 21 2HB LEU 21 -2.999 -9.435 8.495 164 2HB LEU 21 1HB LEU 21 -2.845 -8.002 9.491 165 HG LEU 21 HG LEU 21 -0.812 -8.126 7.410 166 1HD1 LEU 21 1HD1 LEU 21 -3.206 -9.144 6.579 167 2HD1 LEU 21 2HD1 LEU 21 -2.008 -8.363 5.550 168 3HD1 LEU 21 3HD1 LEU 21 -3.363 -7.432 6.186 169 1HD2 LEU 21 1HD2 LEU 21 -2.707 -6.181 8.602 170 2HD2 LEU 21 2HD2 LEU 21 -2.092 -5.845 6.984 171 3HD2 LEU 21 3HD2 LEU 21 -0.969 -6.053 8.328 172 H GLU 22 H GLU 22 -2.171 -11.673 9.749 173 HA GLU 22 HA GLU 22 -3.557 -11.475 12.205 174 1HB GLU 22 2HB GLU 22 -3.800 -13.137 10.184 175 2HB GLU 22 1HB GLU 22 -2.687 -14.113 11.133 176 1HG GLU 22 2HG GLU 22 -4.579 -13.347 12.974 177 2HG GLU 22 1HG GLU 22 -5.520 -13.613 11.508 178 H GLU 23 H GLU 23 -0.296 -12.355 11.377 179 HA GLU 23 HA GLU 23 0.245 -13.510 13.979 180 1HB GLU 23 2HB GLU 23 1.390 -14.586 12.224 181 2HB GLU 23 1HB GLU 23 1.861 -13.066 11.481 182 1HG GLU 23 2HG GLU 23 3.575 -12.711 12.977 183 2HG GLU 23 1HG GLU 23 2.871 -13.772 14.196 184 H GLU 24 H GLU 24 1.052 -10.595 12.141 185 HA GLU 24 HA GLU 24 2.692 -9.489 14.206 186 1HB GLU 24 2HB GLU 24 1.562 -8.442 11.639 187 2HB GLU 24 1HB GLU 24 2.340 -7.353 12.781 188 1HG GLU 24 2HG GLU 24 3.744 -9.829 11.883 189 2HG GLU 24 1HG GLU 24 3.712 -8.401 10.849 190 H GLY 25 H GLY 25 -0.631 -8.964 13.104 191 1HA GLY 25 2HA GLY 25 -2.403 -8.462 14.601 192 2HA GLY 25 1HA GLY 25 -1.224 -7.790 15.715 193 H TYR 26 H TYR 26 -1.321 -7.051 12.293 194 HA TYR 26 HA TYR 26 -1.535 -4.234 12.881 195 1HB TYR 26 2HB TYR 26 -1.150 -5.842 10.373 196 2HB TYR 26 1HB TYR 26 -1.533 -4.129 10.284 197 HD1 TYR 26 1HD TYR 26 0.080 -2.457 10.941 198 HD2 TYR 26 2HD TYR 26 0.997 -6.597 11.253 199 HE1 TYR 26 1HE TYR 26 2.457 -1.901 11.226 200 HE2 TYR 26 2HE TYR 26 3.377 -6.057 11.540 201 HH TYR 26 HH TYR 26 4.553 -2.725 11.317 202 H HIS 27 H HIS 27 -2.962 -3.111 10.972 203 HA HIS 27 HA HIS 27 -5.648 -4.295 11.080 204 1HB HIS 27 2HB HIS 27 -4.878 -2.061 12.550 205 2HB HIS 27 1HB HIS 27 -5.684 -1.379 11.142 206 HD1 HIS 27 1HD HIS 27 -6.526 -4.395 13.315 207 HD2 HIS 27 2HD HIS 27 -8.231 -0.888 11.879 208 HE1 HIS 27 1HE HIS 27 -8.900 -4.412 14.145 209 HE2 HIS 27 2HE HIS 27 -9.918 -2.288 13.251 210 HA PRO 28 HA PRO 28 -4.665 -3.132 6.767 211 1HB PRO 28 2HB PRO 28 -5.499 -5.392 5.604 212 2HB PRO 28 1HB PRO 28 -3.934 -5.296 6.419 213 1HG PRO 28 2HG PRO 28 -6.504 -6.476 7.385 214 2HG PRO 28 1HG PRO 28 -4.850 -7.083 7.577 215 1HD PRO 28 2HD PRO 28 -6.252 -5.691 9.509 216 2HD PRO 28 1HD PRO 28 -4.485 -5.812 9.440 217 H ASP 29 H ASP 29 -6.008 -2.086 5.438 218 HA ASP 29 HA ASP 29 -8.881 -2.554 5.792 219 1HB ASP 29 2HB ASP 29 -7.855 -0.277 6.457 220 2HB ASP 29 1HB ASP 29 -7.822 0.024 4.723 221 H THR 30 H THR 30 -6.563 -3.257 3.785 222 HA THR 30 HA THR 30 -6.339 -3.116 1.420 223 HB THR 30 HB THR 30 -7.169 -5.220 0.669 224 HG1 THR 30 1HG THR 30 -8.745 -6.342 1.833 225 1HG2 THR 30 1HG2 THR 30 -5.764 -6.310 1.974 226 2HG2 THR 30 2HG2 THR 30 -6.933 -6.284 3.294 227 3HG2 THR 30 3HG2 THR 30 -5.783 -4.960 3.108 228 H ALA 31 H ALA 31 -6.999 -1.994 -0.225 229 HA ALA 31 HA ALA 31 -9.853 -1.369 -0.501 230 1HB ALA 31 1HB ALA 31 -8.147 0.484 -0.373 231 2HB ALA 31 2HB ALA 31 -9.225 0.537 -1.767 232 3HB ALA 31 3HB ALA 31 -7.571 -0.047 -1.952 233 H LYS 32 H LYS 32 -10.284 -0.872 -3.027 234 HA LYS 32 HA LYS 32 -9.834 -3.437 -4.337 235 1HB LYS 32 2HB LYS 32 -12.111 -2.942 -4.349 236 2HB LYS 32 1HB LYS 32 -11.838 -1.229 -4.633 237 1HG LYS 32 2HG LYS 32 -11.125 -1.750 -6.922 238 2HG LYS 32 1HG LYS 32 -11.491 -3.449 -6.629 239 1HD LYS 32 2HD LYS 32 -13.776 -3.075 -6.543 240 2HD LYS 32 1HD LYS 32 -13.583 -1.366 -6.152 241 1HE LYS 32 2HE LYS 32 -14.334 -1.426 -8.384 242 2HE LYS 32 1HE LYS 32 -12.606 -1.087 -8.472 243 1HZ LYS 32 1HZ LYS 32 -13.521 -2.821 -10.051 244 2HZ LYS 32 2HZ LYS 32 -13.673 -3.836 -8.706 245 3HZ LYS 32 3HZ LYS 32 -12.150 -3.260 -9.163 246 H THR 33 H THR 33 -9.336 0.009 -4.813 247 HA THR 33 HA THR 33 -7.113 -0.446 -6.534 248 HB THR 33 HB THR 33 -8.828 -0.829 -8.197 249 HG1 THR 33 1HG THR 33 -8.155 0.642 -9.670 250 1HG2 THR 33 1HG2 THR 33 -9.917 1.909 -7.628 251 2HG2 THR 33 2HG2 THR 33 -10.661 0.412 -7.064 252 3HG2 THR 33 3HG2 THR 33 -10.519 0.729 -8.793 253 H LEU 34 H LEU 34 -7.098 2.036 -7.838 254 HA LEU 34 HA LEU 34 -6.199 3.708 -5.726 255 1HB LEU 34 2HB LEU 34 -6.772 4.539 -8.567 256 2HB LEU 34 1HB LEU 34 -5.677 5.310 -7.433 257 HG LEU 34 HG LEU 34 -5.249 2.491 -8.392 258 1HD1 LEU 34 1HD1 LEU 34 -3.456 4.313 -9.639 259 2HD1 LEU 34 2HD1 LEU 34 -5.109 4.828 -9.976 260 3HD1 LEU 34 3HD1 LEU 34 -4.594 3.192 -10.385 261 1HD2 LEU 34 1HD2 LEU 34 -4.113 3.771 -6.328 262 2HD2 LEU 34 2HD2 LEU 34 -3.039 4.293 -7.626 263 3HD2 LEU 34 3HD2 LEU 34 -3.268 2.573 -7.309 264 H ARG 35 H ARG 35 -9.024 3.853 -7.880 265 HA ARG 35 HA ARG 35 -10.118 6.220 -6.835 266 1HB ARG 35 2HB ARG 35 -11.383 3.845 -8.202 267 2HB ARG 35 1HB ARG 35 -12.307 5.264 -7.727 268 1HG ARG 35 2HG ARG 35 -11.150 6.652 -9.232 269 2HG ARG 35 1HG ARG 35 -9.888 5.447 -9.494 270 1HD ARG 35 2HD ARG 35 -11.227 4.143 -10.851 271 2HD ARG 35 1HD ARG 35 -12.721 4.787 -10.168 272 HE ARG 35 HE ARG 35 -12.649 6.495 -11.696 273 1HH1 ARG 35 1HH1 ARG 35 -9.551 4.888 -11.637 274 2HH1 ARG 35 2HH1 ARG 35 -8.947 5.731 -13.025 275 1HH2 ARG 35 1HH2 ARG 35 -11.856 7.606 -13.519 276 2HH2 ARG 35 2HH2 ARG 35 -10.254 7.276 -14.091 277 H GLU 36 H GLU 36 -10.630 2.818 -5.987 278 HA GLU 36 HA GLU 36 -12.502 3.356 -3.910 279 1HB GLU 36 2HB GLU 36 -11.939 1.132 -5.242 280 2HB GLU 36 1HB GLU 36 -10.839 0.875 -3.896 281 1HG GLU 36 2HG GLU 36 -12.568 -0.056 -2.863 282 2HG GLU 36 1HG GLU 36 -13.162 1.588 -2.635 283 H ALA 37 H ALA 37 -9.010 3.034 -4.078 284 HA ALA 37 HA ALA 37 -8.574 2.898 -1.267 285 1HB ALA 37 1HB ALA 37 -6.224 3.421 -1.836 286 2HB ALA 37 2HB ALA 37 -6.717 3.701 -3.506 287 3HB ALA 37 3HB ALA 37 -6.882 2.095 -2.794 288 H GLU 38 H GLU 38 -8.842 5.512 -3.599 289 HA GLU 38 HA GLU 38 -7.903 7.572 -1.903 290 1HB GLU 38 2HB GLU 38 -9.642 7.554 -4.354 291 2HB GLU 38 1HB GLU 38 -9.301 9.042 -3.482 292 1HG GLU 38 2HG GLU 38 -6.917 8.724 -3.853 293 2HG GLU 38 1HG GLU 38 -7.243 7.218 -4.705 294 H LYS 39 H LYS 39 -11.100 6.214 -2.537 295 HA LYS 39 HA LYS 39 -12.582 8.038 -0.993 296 1HB LYS 39 2HB LYS 39 -13.676 6.511 -2.539 297 2HB LYS 39 1HB LYS 39 -13.106 5.125 -1.622 298 1HG LYS 39 2HG LYS 39 -14.817 7.171 -0.288 299 2HG LYS 39 1HG LYS 39 -15.549 5.958 -1.342 300 1HD LYS 39 2HD LYS 39 -14.023 4.342 0.118 301 2HD LYS 39 1HD LYS 39 -14.219 5.643 1.294 302 1HE LYS 39 2HE LYS 39 -15.940 3.949 1.592 303 2HE LYS 39 1HE LYS 39 -16.651 5.475 1.068 304 1HZ LYS 39 1HZ LYS 39 -15.937 3.609 -1.043 305 2HZ LYS 39 2HZ LYS 39 -17.297 4.604 -0.889 306 3HZ LYS 39 3HZ LYS 39 -17.223 3.139 -0.050 307 H LYS 40 H LYS 40 -10.840 5.089 -0.196 308 HA LYS 40 HA LYS 40 -11.709 4.991 2.525 309 1HB LYS 40 2HB LYS 40 -9.431 3.644 1.079 310 2HB LYS 40 1HB LYS 40 -9.837 3.333 2.762 311 1HG LYS 40 2HG LYS 40 -12.170 2.743 1.898 312 2HG LYS 40 1HG LYS 40 -11.420 2.686 0.302 313 1HD LYS 40 2HD LYS 40 -10.226 0.805 0.779 314 2HD LYS 40 1HD LYS 40 -10.081 1.200 2.493 315 1HE LYS 40 2HE LYS 40 -12.695 0.402 1.245 316 2HE LYS 40 1HE LYS 40 -11.553 -0.787 1.872 317 1HZ LYS 40 1HZ LYS 40 -13.259 1.081 3.303 318 2HZ LYS 40 2HZ LYS 40 -11.706 0.866 3.940 319 3HZ LYS 40 3HZ LYS 40 -12.733 -0.464 3.747 320 H ILE 41 H ILE 41 -8.664 5.969 0.943 321 HA ILE 41 HA ILE 41 -7.385 6.788 3.335 322 HB ILE 41 HB ILE 41 -6.822 7.745 0.526 323 1HG1 ILE 41 2HG1 ILE 41 -5.245 5.586 1.850 324 2HG1 ILE 41 1HG1 ILE 41 -6.817 5.167 1.175 325 1HG2 ILE 41 1HG2 ILE 41 -5.028 7.632 2.948 326 2HG2 ILE 41 2HG2 ILE 41 -5.786 9.090 2.307 327 3HG2 ILE 41 3HG2 ILE 41 -4.591 8.222 1.344 328 1HD1 ILE 41 1HD1 ILE 41 -5.941 6.330 -0.958 329 2HD1 ILE 41 2HD1 ILE 41 -5.369 4.711 -0.558 330 3HD1 ILE 41 3HD1 ILE 41 -4.354 6.113 -0.219 331 H LYS 42 H LYS 42 -9.610 8.354 1.179 332 HA LYS 42 HA LYS 42 -9.099 11.030 1.830 333 1HB LYS 42 2HB LYS 42 -10.405 10.637 -0.085 334 2HB LYS 42 1HB LYS 42 -11.501 9.564 0.773 335 1HG LYS 42 2HG LYS 42 -12.663 11.299 1.735 336 2HG LYS 42 1HG LYS 42 -11.327 12.436 1.548 337 1HD LYS 42 2HD LYS 42 -12.376 11.352 -0.971 338 2HD LYS 42 1HD LYS 42 -13.525 12.335 -0.061 339 1HE LYS 42 2HE LYS 42 -11.526 13.994 0.137 340 2HE LYS 42 1HE LYS 42 -10.889 13.103 -1.246 341 1HZ LYS 42 1HZ LYS 42 -13.351 13.552 -2.091 342 2HZ LYS 42 2HZ LYS 42 -12.086 14.644 -2.355 343 3HZ LYS 42 3HZ LYS 42 -13.176 14.901 -1.087 344 H GLU 43 H GLU 43 -10.714 8.512 3.574 345 HA GLU 43 HA GLU 43 -11.718 10.478 5.511 346 1HB GLU 43 2HB GLU 43 -12.571 7.597 5.213 347 2HB GLU 43 1HB GLU 43 -13.313 8.817 6.240 348 1HG GLU 43 2HG GLU 43 -14.260 9.938 4.439 349 2HG GLU 43 1HG GLU 43 -13.168 9.186 3.276 350 H LEU 44 H LEU 44 -10.019 7.385 5.209 351 HA LEU 44 HA LEU 44 -9.298 7.462 8.033 352 1HB LEU 44 2HB LEU 44 -9.706 5.414 6.118 353 2HB LEU 44 1HB LEU 44 -8.028 5.324 6.616 354 HG LEU 44 HG LEU 44 -9.404 3.852 7.974 355 1HD1 LEU 44 1HD1 LEU 44 -8.305 4.303 9.890 356 2HD1 LEU 44 2HD1 LEU 44 -8.841 5.983 9.931 357 3HD1 LEU 44 3HD1 LEU 44 -7.498 5.510 8.889 358 1HD2 LEU 44 1HD2 LEU 44 -11.534 4.945 7.831 359 2HD2 LEU 44 2HD2 LEU 44 -10.911 6.370 8.662 360 3HD2 LEU 44 3HD2 LEU 44 -11.073 4.843 9.530 361 H PHE 45 H PHE 45 -7.394 8.133 8.784 362 HA PHE 45 HA PHE 45 -5.435 9.182 6.938 363 1HB PHE 45 2HB PHE 45 -6.021 10.417 8.991 364 2HB PHE 45 1HB PHE 45 -5.411 9.082 9.964 365 HD1 PHE 45 1HD PHE 45 -3.998 10.714 6.932 366 HD2 PHE 45 2HD PHE 45 -3.557 9.880 11.081 367 HE1 PHE 45 1HE PHE 45 -1.752 11.720 6.891 368 HE2 PHE 45 2HE PHE 45 -1.311 10.885 11.049 369 HZ PHE 45 HZ PHE 45 -0.406 11.806 8.951 370 H PHE 46 H PHE 46 -5.281 6.784 6.196 371 HA PHE 46 HA PHE 46 -3.959 4.835 7.650 372 1HB PHE 46 2HB PHE 46 -3.985 5.428 4.695 373 2HB PHE 46 1HB PHE 46 -3.192 4.007 5.367 374 HD1 PHE 46 1HD PHE 46 -6.149 5.229 3.977 375 HD2 PHE 46 2HD PHE 46 -4.723 2.583 6.990 376 HE1 PHE 46 1HE PHE 46 -8.291 4.021 3.922 377 HE2 PHE 46 2HE PHE 46 -6.862 1.369 6.940 378 HZ PHE 46 HZ PHE 46 -8.650 2.088 5.407 379 HA PRO 47 HA PRO 47 0.083 6.766 8.027 380 1HB PRO 47 2HB PRO 47 1.256 4.793 9.454 381 2HB PRO 47 1HB PRO 47 0.106 5.924 10.177 382 1HG PRO 47 2HG PRO 47 -0.339 3.126 9.215 383 2HG PRO 47 1HG PRO 47 -0.927 3.906 10.693 384 1HD PRO 47 2HD PRO 47 -2.466 3.586 8.473 385 2HD PRO 47 1HD PRO 47 -2.670 4.937 9.605 386 H VAL 48 H VAL 48 -0.643 3.633 6.709 387 HA VAL 48 HA VAL 48 1.668 3.843 4.939 388 HB VAL 48 HB VAL 48 0.961 1.218 6.225 389 1HG1 VAL 48 1HG1 VAL 48 2.458 1.755 4.027 390 2HG1 VAL 48 2HG1 VAL 48 2.683 0.350 5.069 391 3HG1 VAL 48 3HG1 VAL 48 3.686 1.784 5.293 392 1HG2 VAL 48 1HG2 VAL 48 1.612 2.360 8.097 393 2HG2 VAL 48 2HG2 VAL 48 2.702 3.420 7.202 394 3HG2 VAL 48 3HG2 VAL 48 3.160 1.745 7.514 395 H ILE 49 H ILE 49 1.056 3.538 2.913 396 HA ILE 49 HA ILE 49 -1.431 2.080 2.352 397 HB ILE 49 HB ILE 49 -0.155 4.006 0.430 398 1HG1 ILE 49 2HG1 ILE 49 -0.464 5.291 2.467 399 2HG1 ILE 49 1HG1 ILE 49 -1.692 5.756 1.295 400 1HG2 ILE 49 1HG2 ILE 49 -2.702 2.543 0.670 401 2HG2 ILE 49 2HG2 ILE 49 -1.791 3.016 -0.764 402 3HG2 ILE 49 3HG2 ILE 49 -2.811 4.195 0.060 403 1HD1 ILE 49 1HD1 ILE 49 -2.002 4.725 3.948 404 2HD1 ILE 49 2HD1 ILE 49 -2.827 3.687 2.786 405 3HD1 ILE 49 3HD1 ILE 49 -3.210 5.408 2.860 406 H VAL 50 H VAL 50 -1.460 0.696 0.489 407 HA VAL 50 HA VAL 50 1.169 0.002 -0.613 408 HB VAL 50 HB VAL 50 -0.810 -2.131 0.184 409 1HG1 VAL 50 1HG1 VAL 50 1.612 -3.292 0.245 410 2HG1 VAL 50 2HG1 VAL 50 1.900 -2.053 -0.977 411 3HG1 VAL 50 3HG1 VAL 50 0.602 -3.225 -1.199 412 1HG2 VAL 50 1HG2 VAL 50 0.222 -2.459 2.248 413 2HG2 VAL 50 2HG2 VAL 50 0.097 -0.704 2.138 414 3HG2 VAL 50 3HG2 VAL 50 1.633 -1.500 1.802 415 H LEU 51 H LEU 51 0.670 -1.742 -2.508 416 HA LEU 51 HA LEU 51 -1.845 -1.369 -3.801 417 1HB LEU 51 2HB LEU 51 -0.921 0.761 -4.395 418 2HB LEU 51 1HB LEU 51 0.588 0.024 -4.895 419 HG LEU 51 HG LEU 51 -0.492 -1.013 -6.799 420 1HD1 LEU 51 1HD1 LEU 51 -2.804 -0.772 -7.300 421 2HD1 LEU 51 2HD1 LEU 51 -3.043 0.334 -5.946 422 3HD1 LEU 51 3HD1 LEU 51 -2.681 -1.366 -5.644 423 1HD2 LEU 51 1HD2 LEU 51 -0.654 1.899 -6.359 424 2HD2 LEU 51 2HD2 LEU 51 -1.531 1.264 -7.750 425 3HD2 LEU 51 3HD2 LEU 51 0.203 0.980 -7.598 426 H ASP 52 H ASP 52 -1.573 -3.672 -3.537 427 HA ASP 52 HA ASP 52 0.459 -5.105 -4.923 428 1HB ASP 52 2HB ASP 52 -0.983 -5.910 -2.951 429 2HB ASP 52 1HB ASP 52 -2.224 -6.241 -4.156 430 H VAL 53 H VAL 53 0.083 -3.719 -6.919 431 HA VAL 53 HA VAL 53 -2.071 -3.808 -8.597 432 HB VAL 53 HB VAL 53 0.814 -4.011 -9.475 433 1HG1 VAL 53 1HG1 VAL 53 -0.323 -4.314 -11.439 434 2HG1 VAL 53 2HG1 VAL 53 -0.260 -2.552 -11.383 435 3HG1 VAL 53 3HG1 VAL 53 -1.729 -3.397 -10.896 436 1HG2 VAL 53 1HG2 VAL 53 0.695 -2.158 -8.028 437 2HG2 VAL 53 2HG2 VAL 53 -0.872 -1.660 -8.665 438 3HG2 VAL 53 3HG2 VAL 53 0.577 -1.493 -9.657 439 H TRP 54 H TRP 54 -3.184 -5.762 -8.592 440 HA TRP 54 HA TRP 54 -1.865 -8.224 -9.294 441 1HB TRP 54 2HB TRP 54 -3.739 -8.317 -7.764 442 2HB TRP 54 1HB TRP 54 -4.790 -7.533 -8.938 443 HD1 TRP 54 HD TRP 54 -6.460 -9.273 -9.777 444 HE1 TRP 54 1HE TRP 54 -6.346 -11.727 -10.542 445 HE3 TRP 54 3HE TRP 54 -1.515 -10.182 -8.855 446 HZ2 TRP 54 2HZ TRP 54 -4.415 -13.779 -10.730 447 HZ3 TRP 54 3HZ TRP 54 -0.613 -12.415 -9.354 448 HH2 TRP 54 HH TRP 54 -2.034 -14.176 -10.272 449 H MET 55 H MET 55 -4.822 -6.968 -10.797 450 HA MET 55 HA MET 55 -3.556 -6.835 -13.397 451 1HB MET 55 2HB MET 55 -4.457 -9.268 -12.771 452 2HB MET 55 1HB MET 55 -5.972 -8.569 -13.321 453 1HG MET 55 2HG MET 55 -4.337 -7.821 -15.328 454 2HG MET 55 1HG MET 55 -3.576 -9.333 -14.839 455 1HE MET 55 1HE MET 55 -4.840 -9.652 -17.943 456 2HE MET 55 2HE MET 55 -5.152 -11.298 -17.395 457 3HE MET 55 3HE MET 55 -3.743 -10.423 -16.796 458 HA PRO 56 HA PRO 56 -7.357 -4.166 -12.859 459 1HB PRO 56 2HB PRO 56 -6.116 -1.901 -11.792 460 2HB PRO 56 1HB PRO 56 -7.030 -3.102 -10.882 461 1HG PRO 56 2HG PRO 56 -4.259 -2.570 -10.707 462 2HG PRO 56 1HG PRO 56 -5.144 -3.894 -9.936 463 1HD PRO 56 2HD PRO 56 -3.517 -3.898 -12.423 464 2HD PRO 56 1HD PRO 56 -3.809 -5.203 -11.258 465 H ASP 57 H ASP 57 -7.092 -1.415 -13.304 466 HA ASP 57 HA ASP 57 -5.325 -0.961 -15.532 467 1HB ASP 57 2HB ASP 57 -8.302 -1.192 -15.964 468 2HB ASP 57 1HB ASP 57 -7.209 -0.415 -17.105 469 H GLY 58 H GLY 58 -5.095 0.468 -13.391 470 1HA GLY 58 2HA GLY 58 -6.391 3.023 -14.071 471 2HA GLY 58 1HA GLY 58 -6.389 2.461 -12.407 472 H ASP 59 H ASP 59 -3.558 1.570 -14.035 473 HA ASP 59 HA ASP 59 -1.384 2.184 -13.746 474 1HB ASP 59 2HB ASP 59 -2.408 5.023 -13.872 475 2HB ASP 59 1HB ASP 59 -0.829 4.423 -14.371 476 H GLY 60 H GLY 60 -0.236 4.449 -12.492 477 1HA GLY 60 2HA GLY 60 -1.291 4.919 -9.908 478 2HA GLY 60 1HA GLY 60 -0.115 3.617 -9.835 479 H VAL 61 H VAL 61 0.189 6.249 -12.117 480 HA VAL 61 HA VAL 61 2.716 6.987 -10.917 481 HB VAL 61 HB VAL 61 1.439 8.114 -13.403 482 1HG1 VAL 61 1HG1 VAL 61 4.173 8.169 -12.209 483 2HG1 VAL 61 2HG1 VAL 61 3.190 9.500 -12.814 484 3HG1 VAL 61 3HG1 VAL 61 3.940 8.373 -13.944 485 1HG2 VAL 61 1HG2 VAL 61 3.455 5.890 -13.370 486 2HG2 VAL 61 2HG2 VAL 61 2.451 6.453 -14.706 487 3HG2 VAL 61 3HG2 VAL 61 1.721 5.574 -13.365 488 H ASN 62 H ASN 62 -0.375 8.512 -11.767 489 HA ASN 62 HA ASN 62 0.418 10.984 -10.457 490 1HB ASN 62 2HB ASN 62 -1.403 10.279 -12.534 491 2HB ASN 62 1HB ASN 62 -2.324 11.042 -11.242 492 1HD2 ASN 62 1HD2 ASN 62 0.413 11.438 -13.406 493 2HD2 ASN 62 2HD2 ASN 62 0.409 13.166 -13.395 494 H PHE 63 H PHE 63 -0.463 8.201 -9.187 495 HA PHE 63 HA PHE 63 -2.596 9.149 -7.452 496 1HB PHE 63 2HB PHE 63 -2.725 6.853 -8.288 497 2HB PHE 63 1HB PHE 63 -1.171 6.481 -7.548 498 HD1 PHE 63 1HD PHE 63 -4.071 8.364 -6.188 499 HD2 PHE 63 2HD PHE 63 -1.620 4.896 -5.917 500 HE1 PHE 63 1HE PHE 63 -5.215 7.724 -4.108 501 HE2 PHE 63 2HE PHE 63 -2.762 4.248 -3.834 502 HZ PHE 63 HZ PHE 63 -4.564 5.664 -2.928 503 H ILE 64 H ILE 64 0.817 8.330 -7.302 504 HA ILE 64 HA ILE 64 1.323 8.223 -4.620 505 HB ILE 64 HB ILE 64 3.020 9.643 -6.678 506 1HG1 ILE 64 2HG1 ILE 64 4.141 7.171 -6.156 507 2HG1 ILE 64 1HG1 ILE 64 2.414 6.827 -6.162 508 1HG2 ILE 64 1HG2 ILE 64 4.890 9.210 -5.188 509 2HG2 ILE 64 2HG2 ILE 64 3.806 8.459 -4.018 510 3HG2 ILE 64 3HG2 ILE 64 3.664 10.181 -4.372 511 1HD1 ILE 64 1HD1 ILE 64 4.063 8.019 -8.368 512 2HD1 ILE 64 2HD1 ILE 64 2.302 7.984 -8.382 513 3HD1 ILE 64 3HD1 ILE 64 3.210 6.477 -8.356 514 H ASP 65 H ASP 65 0.460 11.033 -6.497 515 HA ASP 65 HA ASP 65 1.246 12.957 -4.536 516 1HB ASP 65 2HB ASP 65 0.599 13.135 -7.163 517 2HB ASP 65 1HB ASP 65 -0.910 13.675 -6.433 518 H PHE 66 H PHE 66 -1.709 11.198 -5.261 519 HA PHE 66 HA PHE 66 -3.446 12.662 -3.602 520 1HB PHE 66 2HB PHE 66 -4.242 11.063 -5.296 521 2HB PHE 66 1HB PHE 66 -3.559 9.734 -4.365 522 HD1 PHE 66 1HD PHE 66 -4.435 9.459 -1.945 523 HD2 PHE 66 2HD PHE 66 -6.434 11.698 -4.961 524 HE1 PHE 66 1HE PHE 66 -6.543 9.259 -0.693 525 HE2 PHE 66 2HE PHE 66 -8.546 11.503 -3.714 526 HZ PHE 66 HZ PHE 66 -8.602 10.282 -1.576 527 H ILE 67 H ILE 67 -1.423 9.817 -3.011 528 HA ILE 67 HA ILE 67 -2.222 9.312 -0.376 529 HB ILE 67 HB ILE 67 0.452 8.818 -1.699 530 1HG1 ILE 67 2HG1 ILE 67 -0.606 6.393 -1.479 531 2HG1 ILE 67 1HG1 ILE 67 -2.113 7.304 -1.477 532 1HG2 ILE 67 1HG2 ILE 67 0.782 7.144 0.122 533 2HG2 ILE 67 2HG2 ILE 67 -0.618 7.837 0.942 534 3HG2 ILE 67 3HG2 ILE 67 0.818 8.822 0.665 535 1HD1 ILE 67 1HD1 ILE 67 -0.382 8.201 -3.591 536 2HD1 ILE 67 2HD1 ILE 67 -2.025 7.566 -3.671 537 3HD1 ILE 67 3HD1 ILE 67 -0.651 6.461 -3.684 538 H LYS 68 H LYS 68 0.173 11.535 -1.710 539 HA LYS 68 HA LYS 68 1.023 12.380 0.933 540 1HB LYS 68 2HB LYS 68 1.743 13.451 -1.804 541 2HB LYS 68 1HB LYS 68 2.494 13.940 -0.291 542 1HG LYS 68 2HG LYS 68 2.825 11.252 -0.187 543 2HG LYS 68 1HG LYS 68 2.920 11.544 -1.925 544 1HD LYS 68 2HD LYS 68 4.913 12.564 -1.758 545 2HD LYS 68 1HD LYS 68 4.431 13.467 -0.321 546 1HE LYS 68 2HE LYS 68 5.125 10.540 -0.264 547 2HE LYS 68 1HE LYS 68 6.320 11.812 -0.021 548 1HZ LYS 68 1HZ LYS 68 4.914 12.627 1.833 549 2HZ LYS 68 2HZ LYS 68 5.555 11.084 2.097 550 3HZ LYS 68 3HZ LYS 68 3.933 11.260 1.653 551 H GLU 69 H GLU 69 -1.340 13.249 -1.397 552 HA GLU 69 HA GLU 69 -1.629 15.991 -0.734 553 1HB GLU 69 2HB GLU 69 -2.475 14.849 -2.823 554 2HB GLU 69 1HB GLU 69 -3.765 14.178 -1.837 555 1HG GLU 69 2HG GLU 69 -4.725 16.274 -1.457 556 2HG GLU 69 1HG GLU 69 -3.272 17.129 -1.973 557 H ASN 70 H ASN 70 -2.823 13.024 0.626 558 HA ASN 70 HA ASN 70 -4.150 14.576 2.738 559 1HB ASN 70 2HB ASN 70 -5.672 12.334 2.728 560 2HB ASN 70 1HB ASN 70 -6.100 13.810 1.868 561 1HD2 ASN 70 1HD2 ASN 70 -5.092 13.933 -0.385 562 2HD2 ASN 70 2HD2 ASN 70 -5.187 12.496 -1.337 563 H SER 71 H SER 71 -1.601 12.761 2.178 564 HA SER 71 HA SER 71 -1.439 11.825 4.890 565 1HB SER 71 2HB SER 71 -2.144 9.984 2.745 566 2HB SER 71 1HB SER 71 -0.666 9.497 3.574 567 HG SER 71 HG SER 71 -3.136 9.162 4.392 568 HA PRO 72 HA PRO 72 2.541 13.052 2.804 569 1HB PRO 72 2HB PRO 72 2.817 15.073 4.865 570 2HB PRO 72 1HB PRO 72 2.720 15.286 3.116 571 1HG PRO 72 2HG PRO 72 0.755 16.067 4.841 572 2HG PRO 72 1HG PRO 72 0.457 15.615 3.153 573 1HD PRO 72 2HD PRO 72 0.051 14.014 5.648 574 2HD PRO 72 1HD PRO 72 -0.962 14.113 4.191 575 H ASP 73 H ASP 73 1.514 12.195 5.929 576 HA ASP 73 HA ASP 73 4.266 11.586 6.760 577 1HB ASP 73 2HB ASP 73 2.551 13.034 8.160 578 2HB ASP 73 1HB ASP 73 2.007 11.443 8.686 579 H SER 74 H SER 74 2.568 9.993 4.935 580 HA SER 74 HA SER 74 2.226 7.556 6.543 581 1HB SER 74 2HB SER 74 0.216 8.284 5.325 582 2HB SER 74 1HB SER 74 1.113 8.229 3.807 583 HG SER 74 HG SER 74 -0.193 6.264 4.977 584 H VAL 75 H VAL 75 2.320 5.695 4.428 585 HA VAL 75 HA VAL 75 4.922 6.060 3.168 586 HB VAL 75 HB VAL 75 4.410 3.583 4.800 587 1HG1 VAL 75 1HG1 VAL 75 7.142 4.216 4.093 588 2HG1 VAL 75 2HG1 VAL 75 6.121 4.156 2.658 589 3HG1 VAL 75 3HG1 VAL 75 6.200 2.767 3.742 590 1HG2 VAL 75 1HG2 VAL 75 4.712 5.183 6.455 591 2HG2 VAL 75 2HG2 VAL 75 5.826 6.137 5.475 592 3HG2 VAL 75 3HG2 VAL 75 6.354 4.606 6.173 593 H VAL 76 H VAL 76 5.028 5.229 1.226 594 HA VAL 76 HA VAL 76 2.822 3.489 0.358 595 HB VAL 76 HB VAL 76 4.622 4.746 -1.644 596 1HG1 VAL 76 1HG1 VAL 76 2.596 3.188 -2.029 597 2HG1 VAL 76 2HG1 VAL 76 2.780 4.620 -3.041 598 3HG1 VAL 76 3HG1 VAL 76 1.635 4.629 -1.699 599 1HG2 VAL 76 1HG2 VAL 76 2.758 6.245 0.148 600 2HG2 VAL 76 2HG2 VAL 76 2.943 6.744 -1.533 601 3HG2 VAL 76 3HG2 VAL 76 4.345 6.713 -0.465 602 H ILE 77 H ILE 77 3.299 1.419 0.353 603 HA ILE 77 HA ILE 77 5.983 0.570 -0.507 604 HB ILE 77 HB ILE 77 3.976 -1.092 1.018 605 1HG1 ILE 77 2HG1 ILE 77 4.612 0.835 2.380 606 2HG1 ILE 77 1HG1 ILE 77 5.350 -0.632 3.017 607 1HG2 ILE 77 1HG2 ILE 77 5.427 -2.612 0.109 608 2HG2 ILE 77 2HG2 ILE 77 6.281 -2.222 1.602 609 3HG2 ILE 77 3HG2 ILE 77 6.776 -1.476 0.082 610 1HD1 ILE 77 1HD1 ILE 77 7.351 0.162 1.472 611 2HD1 ILE 77 2HD1 ILE 77 7.137 0.753 3.120 612 3HD1 ILE 77 3HD1 ILE 77 6.601 1.733 1.756 613 H VAL 78 H VAL 78 4.026 1.342 -2.383 614 HA VAL 78 HA VAL 78 2.342 -0.469 -3.501 615 HB VAL 78 HB VAL 78 4.317 1.230 -5.046 616 1HG1 VAL 78 1HG1 VAL 78 1.713 0.867 -6.248 617 2HG1 VAL 78 2HG1 VAL 78 2.524 -0.679 -5.997 618 3HG1 VAL 78 3HG1 VAL 78 3.313 0.591 -6.930 619 1HG2 VAL 78 1HG2 VAL 78 1.910 2.529 -5.097 620 2HG2 VAL 78 2HG2 VAL 78 3.258 2.918 -4.028 621 3HG2 VAL 78 3HG2 VAL 78 1.951 1.879 -3.458 622 H ILE 79 H ILE 79 2.561 -2.543 -3.917 623 HA ILE 79 HA ILE 79 5.173 -3.593 -4.763 624 HB ILE 79 HB ILE 79 2.938 -5.402 -3.971 625 1HG1 ILE 79 2HG1 ILE 79 4.678 -3.995 -1.941 626 2HG1 ILE 79 1HG1 ILE 79 3.002 -3.566 -2.264 627 1HG2 ILE 79 1HG2 ILE 79 5.234 -6.264 -2.769 628 2HG2 ILE 79 2HG2 ILE 79 5.845 -5.491 -4.231 629 3HG2 ILE 79 3HG2 ILE 79 4.654 -6.786 -4.350 630 1HD1 ILE 79 1HD1 ILE 79 2.798 -4.917 -0.426 631 2HD1 ILE 79 2HD1 ILE 79 4.114 -5.980 -0.925 632 3HD1 ILE 79 3HD1 ILE 79 2.550 -6.072 -1.735 633 H THR 80 H THR 80 4.744 -5.784 -6.090 634 HA THR 80 HA THR 80 4.219 -6.676 -8.105 635 HB THR 80 HB THR 80 1.686 -5.755 -8.766 636 HG1 THR 80 1HG THR 80 1.874 -5.989 -5.950 637 1HG2 THR 80 1HG2 THR 80 1.943 -8.032 -8.853 638 2HG2 THR 80 2HG2 THR 80 0.934 -7.833 -7.420 639 3HG2 THR 80 3HG2 THR 80 2.665 -8.121 -7.246 640 H GLY 81 H GLY 81 5.037 -6.101 -9.990 641 1HA GLY 81 2HA GLY 81 4.340 -3.461 -11.094 642 2HA GLY 81 1HA GLY 81 6.026 -3.941 -10.978 643 H HIS 82 H HIS 82 5.208 -3.266 -13.409 644 HA HIS 82 HA HIS 82 4.061 -5.356 -14.941 645 1HB HIS 82 2HB HIS 82 5.806 -3.046 -15.821 646 2HB HIS 82 1HB HIS 82 4.862 -4.072 -16.894 647 HD1 HIS 82 1HD HIS 82 3.730 -1.729 -17.583 648 HD2 HIS 82 2HD HIS 82 2.910 -3.115 -13.753 649 HE1 HIS 82 1HE HIS 82 1.714 -0.436 -16.817 650 HE2 HIS 82 2HE HIS 82 1.184 -1.355 -14.532 651 H GLY 83 H GLY 83 7.402 -4.117 -15.149 652 1HA GLY 83 2HA GLY 83 8.675 -6.587 -14.753 653 2HA GLY 83 1HA GLY 83 8.414 -6.376 -16.477 654 H SER 84 H SER 84 10.887 -6.430 -14.785 655 HA SER 84 HA SER 84 12.913 -5.401 -14.694 656 1HB SER 84 2HB SER 84 13.660 -4.334 -16.644 657 2HB SER 84 1HB SER 84 12.364 -5.376 -17.228 658 HG SER 84 HG SER 84 12.568 -2.701 -17.352 659 H VAL 85 H VAL 85 10.690 -4.286 -13.182 660 HA VAL 85 HA VAL 85 10.024 -2.410 -12.049 661 HB VAL 85 HB VAL 85 11.927 -1.152 -11.019 662 1HG1 VAL 85 1HG1 VAL 85 11.509 -4.072 -10.880 663 2HG1 VAL 85 2HG1 VAL 85 11.384 -2.843 -9.621 664 3HG1 VAL 85 3HG1 VAL 85 12.966 -3.450 -10.106 665 1HG2 VAL 85 1HG2 VAL 85 14.192 -1.847 -11.421 666 2HG2 VAL 85 2HG2 VAL 85 13.465 -1.376 -12.957 667 3HG2 VAL 85 3HG2 VAL 85 13.656 -3.083 -12.558 668 H ASP 86 H ASP 86 9.314 -1.753 -14.418 669 HA ASP 86 HA ASP 86 10.607 0.787 -15.135 670 1HB ASP 86 2HB ASP 86 9.379 0.587 -17.276 671 2HB ASP 86 1HB ASP 86 10.427 -0.797 -16.976 672 H THR 87 H THR 87 7.795 -0.531 -13.691 673 HA THR 87 HA THR 87 6.225 1.888 -14.150 674 HB THR 87 HB THR 87 5.257 -0.516 -14.167 675 HG1 THR 87 1HG THR 87 3.839 1.149 -14.210 676 1HG2 THR 87 1HG2 THR 87 6.165 -1.335 -12.073 677 2HG2 THR 87 2HG2 THR 87 4.402 -1.307 -12.021 678 3HG2 THR 87 3HG2 THR 87 5.328 -0.057 -11.193 679 H ALA 88 H ALA 88 7.963 0.168 -11.659 680 HA ALA 88 HA ALA 88 7.203 1.624 -9.405 681 1HB ALA 88 1HB ALA 88 9.206 0.818 -8.382 682 2HB ALA 88 2HB ALA 88 9.967 0.552 -9.949 683 3HB ALA 88 3HB ALA 88 8.610 -0.455 -9.447 684 H VAL 89 H VAL 89 10.045 2.064 -11.474 685 HA VAL 89 HA VAL 89 11.026 4.396 -10.381 686 HB VAL 89 HB VAL 89 12.092 4.831 -12.556 687 1HG1 VAL 89 1HG1 VAL 89 12.309 1.900 -12.443 688 2HG1 VAL 89 2HG1 VAL 89 12.564 2.739 -10.913 689 3HG1 VAL 89 3HG1 VAL 89 13.558 3.139 -12.314 690 1HG2 VAL 89 1HG2 VAL 89 11.627 3.469 -14.497 691 2HG2 VAL 89 2HG2 VAL 89 10.143 4.257 -13.963 692 3HG2 VAL 89 3HG2 VAL 89 10.415 2.553 -13.602 693 H LYS 90 H LYS 90 8.240 3.916 -12.412 694 HA LYS 90 HA LYS 90 7.943 6.761 -12.949 695 1HB LYS 90 2HB LYS 90 7.357 4.966 -14.634 696 2HB LYS 90 1HB LYS 90 5.996 4.552 -13.599 697 1HG LYS 90 2HG LYS 90 5.079 6.787 -13.875 698 2HG LYS 90 1HG LYS 90 6.459 7.242 -14.872 699 1HD LYS 90 2HD LYS 90 5.423 4.891 -16.001 700 2HD LYS 90 1HD LYS 90 4.032 5.903 -15.618 701 1HE LYS 90 2HE LYS 90 5.435 7.787 -16.733 702 2HE LYS 90 1HE LYS 90 6.325 6.450 -17.457 703 1HZ LYS 90 1HZ LYS 90 4.003 7.549 -18.392 704 2HZ LYS 90 2HZ LYS 90 3.502 6.096 -17.683 705 3HZ LYS 90 3HZ LYS 90 4.686 6.085 -18.891 706 H ALA 91 H ALA 91 7.946 5.987 -10.217 707 HA ALA 91 HA ALA 91 5.604 7.302 -9.318 708 1HB ALA 91 1HB ALA 91 4.788 5.327 -7.928 709 2HB ALA 91 2HB ALA 91 5.743 4.314 -9.011 710 3HB ALA 91 3HB ALA 91 4.424 5.294 -9.653 711 H ILE 92 H ILE 92 8.230 5.080 -8.478 712 HA ILE 92 HA ILE 92 8.424 6.006 -5.776 713 HB ILE 92 HB ILE 92 10.089 4.450 -5.448 714 1HG1 ILE 92 2HG1 ILE 92 10.831 4.786 -8.363 715 2HG1 ILE 92 1HG1 ILE 92 11.774 5.270 -6.957 716 1HG2 ILE 92 1HG2 ILE 92 9.259 2.930 -7.796 717 2HG2 ILE 92 2HG2 ILE 92 7.912 3.639 -6.906 718 3HG2 ILE 92 3HG2 ILE 92 9.050 2.574 -6.082 719 1HD1 ILE 92 1HD1 ILE 92 12.637 3.243 -8.047 720 2HD1 ILE 92 2HD1 ILE 92 11.115 2.426 -7.693 721 3HD1 ILE 92 3HD1 ILE 92 12.156 2.960 -6.374 722 H LYS 93 H LYS 93 10.311 7.069 -4.863 723 HA LYS 93 HA LYS 93 11.978 8.633 -4.792 724 1HB LYS 93 2HB LYS 93 12.403 7.485 -7.276 725 2HB LYS 93 1HB LYS 93 12.237 9.196 -7.645 726 1HG LYS 93 2HG LYS 93 14.000 9.724 -6.051 727 2HG LYS 93 1HG LYS 93 14.151 8.015 -5.642 728 1HD LYS 93 2HD LYS 93 14.339 8.572 -8.509 729 2HD LYS 93 1HD LYS 93 15.615 9.324 -7.550 730 1HE LYS 93 2HE LYS 93 16.386 7.169 -8.232 731 2HE LYS 93 1HE LYS 93 16.039 7.098 -6.505 732 1HZ LYS 93 1HZ LYS 93 14.068 5.907 -6.891 733 2HZ LYS 93 2HZ LYS 93 15.222 5.178 -7.891 734 3HZ LYS 93 3HZ LYS 93 14.079 6.236 -8.551 735 H LYS 94 H LYS 94 8.951 8.984 -6.041 736 HA LYS 94 HA LYS 94 9.176 11.909 -6.241 737 1HB LYS 94 2HB LYS 94 7.337 9.933 -7.537 738 2HB LYS 94 1HB LYS 94 6.837 11.606 -7.332 739 1HG LYS 94 2HG LYS 94 9.410 10.861 -8.682 740 2HG LYS 94 1HG LYS 94 7.880 10.977 -9.554 741 1HD LYS 94 2HD LYS 94 8.659 13.255 -7.814 742 2HD LYS 94 1HD LYS 94 9.541 13.039 -9.327 743 1HE LYS 94 2HE LYS 94 7.845 14.336 -10.103 744 2HE LYS 94 1HE LYS 94 7.073 12.760 -10.271 745 1HZ LYS 94 1HZ LYS 94 6.773 14.439 -7.848 746 2HZ LYS 94 2HZ LYS 94 5.855 13.091 -8.298 747 3HZ LYS 94 3HZ LYS 94 5.714 14.537 -9.164 748 H GLY 95 H GLY 95 7.725 9.240 -4.592 749 1HA GLY 95 2HA GLY 95 6.904 10.821 -2.399 750 2HA GLY 95 1HA GLY 95 5.511 10.429 -3.396 751 H ALA 96 H ALA 96 6.491 7.829 -4.217 752 HA ALA 96 HA ALA 96 5.504 6.296 -2.046 753 1HB ALA 96 1HB ALA 96 6.046 4.340 -3.445 754 2HB ALA 96 2HB ALA 96 6.882 5.402 -4.576 755 3HB ALA 96 3HB ALA 96 5.145 5.570 -4.329 756 H TYR 97 H TYR 97 6.837 4.178 -1.494 757 HA TYR 97 HA TYR 97 9.433 5.117 -0.483 758 1HB TYR 97 2HB TYR 97 7.637 4.477 1.158 759 2HB TYR 97 1HB TYR 97 7.770 2.828 0.557 760 HD1 TYR 97 1HD TYR 97 9.201 1.368 1.632 761 HD2 TYR 97 2HD TYR 97 9.906 5.549 1.968 762 HE1 TYR 97 1HE TYR 97 11.022 0.925 3.223 763 HE2 TYR 97 2HE TYR 97 11.731 5.119 3.560 764 HH TYR 97 HH TYR 97 12.215 2.114 5.034 765 H GLU 98 H GLU 98 8.975 3.985 -3.122 766 HA GLU 98 HA GLU 98 10.239 2.722 -4.547 767 1HB GLU 98 2HB GLU 98 12.243 1.902 -3.886 768 2HB GLU 98 1HB GLU 98 11.895 2.813 -2.428 769 1HG GLU 98 2HG GLU 98 12.407 0.882 -1.416 770 2HG GLU 98 1HG GLU 98 10.739 0.464 -1.796 771 H PHE 99 H PHE 99 9.870 0.814 -5.604 772 HA PHE 99 HA PHE 99 7.583 -0.658 -4.820 773 1HB PHE 99 2HB PHE 99 9.424 -0.595 -7.103 774 2HB PHE 99 1HB PHE 99 8.747 -2.184 -6.781 775 HD1 PHE 99 1HD PHE 99 7.218 1.182 -6.390 776 HD2 PHE 99 2HD PHE 99 7.183 -2.543 -8.447 777 HE1 PHE 99 1HE PHE 99 5.148 1.843 -7.543 778 HE2 PHE 99 2HE PHE 99 5.113 -1.888 -9.604 779 HZ PHE 99 HZ PHE 99 4.092 0.307 -9.153 780 H LEU 100 H LEU 100 7.348 -2.710 -4.028 781 HA LEU 100 HA LEU 100 9.649 -3.805 -2.634 782 1HB LEU 100 2HB LEU 100 7.244 -3.460 -1.703 783 2HB LEU 100 1HB LEU 100 6.878 -4.945 -2.555 784 HG LEU 100 HG LEU 100 7.327 -5.561 -0.322 785 1HD1 LEU 100 1HD1 LEU 100 8.402 -6.935 -2.102 786 2HD1 LEU 100 2HD1 LEU 100 9.189 -7.038 -0.525 787 3HD1 LEU 100 3HD1 LEU 100 9.899 -6.052 -1.803 788 1HD2 LEU 100 1HD2 LEU 100 9.442 -3.510 -0.533 789 2HD2 LEU 100 2HD2 LEU 100 9.795 -4.912 0.478 790 3HD2 LEU 100 3HD2 LEU 100 8.379 -3.915 0.816 791 H GLU 101 H GLU 101 10.849 -4.705 -4.327 792 HA GLU 101 HA GLU 101 9.915 -6.318 -6.381 793 1HB GLU 101 2HB GLU 101 12.565 -6.634 -4.965 794 2HB GLU 101 1HB GLU 101 12.183 -7.124 -6.610 795 1HG GLU 101 2HG GLU 101 12.380 -4.320 -5.544 796 2HG GLU 101 1HG GLU 101 13.462 -5.113 -6.688 797 H LYS 102 H LYS 102 10.813 -8.736 -6.514 798 HA LYS 102 HA LYS 102 10.459 -10.904 -5.935 799 1HB LYS 102 2HB LYS 102 10.980 -9.633 -3.274 800 2HB LYS 102 1HB LYS 102 10.468 -11.314 -3.345 801 1HG LYS 102 2HG LYS 102 12.562 -10.936 -5.232 802 2HG LYS 102 1HG LYS 102 13.062 -10.241 -3.689 803 1HD LYS 102 2HD LYS 102 12.942 -12.267 -2.587 804 2HD LYS 102 1HD LYS 102 11.789 -12.943 -3.741 805 1HE LYS 102 2HE LYS 102 13.839 -14.050 -4.135 806 2HE LYS 102 1HE LYS 102 13.651 -12.885 -5.445 807 1HZ LYS 102 1HZ LYS 102 15.907 -12.939 -4.480 808 2HZ LYS 102 2HZ LYS 102 15.274 -12.405 -3.006 809 3HZ LYS 102 3HZ LYS 102 15.181 -11.414 -4.374 810 HA PRO 103 HA PRO 103 5.929 -9.678 -5.273 811 1HB PRO 103 2HB PRO 103 5.787 -11.510 -7.615 812 2HB PRO 103 1HB PRO 103 4.928 -9.995 -7.317 813 1HG PRO 103 2HG PRO 103 6.955 -10.091 -9.041 814 2HG PRO 103 1HG PRO 103 6.728 -8.691 -7.977 815 1HD PRO 103 2HD PRO 103 8.694 -10.930 -7.775 816 2HD PRO 103 1HD PRO 103 8.897 -9.210 -7.383 817 H PHE 104 H PHE 104 4.064 -11.353 -5.230 818 HA PHE 104 HA PHE 104 3.144 -13.205 -4.287 819 1HB PHE 104 2HB PHE 104 5.533 -14.223 -5.676 820 2HB PHE 104 1HB PHE 104 4.940 -15.262 -4.383 821 HD1 PHE 104 1HD PHE 104 3.226 -13.139 -6.928 822 HD2 PHE 104 2HD PHE 104 3.770 -17.022 -5.272 823 HE1 PHE 104 1HE PHE 104 1.496 -14.021 -8.438 824 HE2 PHE 104 2HE PHE 104 2.041 -17.911 -6.779 825 HZ PHE 104 HZ PHE 104 0.901 -16.410 -8.364 826 H SER 105 H SER 105 2.850 -13.616 -2.195 827 HA SER 105 HA SER 105 3.215 -13.793 0.041 828 1HB SER 105 2HB SER 105 6.051 -14.584 -0.637 829 2HB SER 105 1HB SER 105 5.112 -15.037 0.786 830 HG SER 105 HG SER 105 3.818 -16.321 -0.504 831 H VAL 106 H VAL 106 3.184 -11.917 1.093 832 HA VAL 106 HA VAL 106 5.220 -9.909 0.616 833 HB VAL 106 HB VAL 106 3.884 -8.460 2.062 834 1HG1 VAL 106 1HG1 VAL 106 2.689 -9.890 -0.240 835 2HG1 VAL 106 2HG1 VAL 106 3.085 -8.182 -0.045 836 3HG1 VAL 106 3HG1 VAL 106 1.630 -8.842 0.704 837 1HG2 VAL 106 1HG2 VAL 106 1.546 -9.532 2.649 838 2HG2 VAL 106 2HG2 VAL 106 2.922 -9.666 3.743 839 3HG2 VAL 106 3HG2 VAL 106 2.501 -11.014 2.687 840 H GLU 107 H GLU 107 5.426 -12.574 2.350 841 HA GLU 107 HA GLU 107 5.914 -12.061 4.972 842 1HB GLU 107 2HB GLU 107 6.106 -14.288 4.114 843 2HB GLU 107 1HB GLU 107 7.426 -13.829 3.047 844 1HG GLU 107 2HG GLU 107 8.904 -13.540 4.874 845 2HG GLU 107 1HG GLU 107 7.591 -13.718 6.036 846 H ARG 108 H ARG 108 8.184 -11.575 2.276 847 HA ARG 108 HA ARG 108 10.255 -10.493 3.910 848 1HB ARG 108 2HB ARG 108 10.751 -11.505 1.739 849 2HB ARG 108 1HB ARG 108 9.784 -10.281 0.929 850 1HG ARG 108 2HG ARG 108 12.094 -9.730 0.672 851 2HG ARG 108 1HG ARG 108 11.357 -8.557 1.765 852 1HD ARG 108 2HD ARG 108 13.319 -9.056 2.868 853 2HD ARG 108 1HD ARG 108 12.188 -10.177 3.625 854 HE ARG 108 HE ARG 108 13.525 -11.312 1.365 855 1HH1 ARG 108 1HH1 ARG 108 13.820 -10.627 4.773 856 2HH1 ARG 108 2HH1 ARG 108 14.965 -11.894 5.057 857 1HH2 ARG 108 1HH2 ARG 108 15.031 -12.979 1.735 858 2HH2 ARG 108 2HH2 ARG 108 15.654 -13.229 3.332 859 H PHE 109 H PHE 109 7.484 -9.213 2.246 860 HA PHE 109 HA PHE 109 8.203 -6.481 2.260 861 1HB PHE 109 2HB PHE 109 6.447 -6.836 0.826 862 2HB PHE 109 1HB PHE 109 5.717 -8.057 1.850 863 HD1 PHE 109 1HD PHE 109 5.637 -4.645 0.801 864 HD2 PHE 109 2HD PHE 109 4.472 -7.289 3.926 865 HE1 PHE 109 1HE PHE 109 3.970 -3.005 1.565 866 HE2 PHE 109 2HE PHE 109 2.804 -5.653 4.694 867 HZ PHE 109 HZ PHE 109 2.552 -3.506 3.514 868 H LEU 110 H LEU 110 7.005 -8.628 4.702 869 HA LEU 110 HA LEU 110 5.722 -7.010 6.493 870 1HB LEU 110 2HB LEU 110 6.619 -9.537 6.554 871 2HB LEU 110 1HB LEU 110 7.756 -8.793 7.660 872 HG LEU 110 HG LEU 110 4.795 -8.433 8.007 873 1HD1 LEU 110 1HD1 LEU 110 5.102 -10.294 9.756 874 2HD1 LEU 110 2HD1 LEU 110 6.507 -10.759 8.796 875 3HD1 LEU 110 3HD1 LEU 110 4.901 -10.752 8.064 876 1HD2 LEU 110 1HD2 LEU 110 7.243 -7.793 9.498 877 2HD2 LEU 110 2HD2 LEU 110 5.938 -8.483 10.464 878 3HD2 LEU 110 3HD2 LEU 110 5.659 -7.018 9.522 879 H LEU 111 H LEU 111 9.226 -7.489 6.240 880 HA LEU 111 HA LEU 111 10.019 -5.788 8.293 881 1HB LEU 111 2HB LEU 111 11.410 -6.396 5.685 882 2HB LEU 111 1HB LEU 111 12.166 -5.601 7.053 883 HG LEU 111 HG LEU 111 11.373 -7.793 8.319 884 1HD1 LEU 111 1HD1 LEU 111 11.257 -8.479 5.432 885 2HD1 LEU 111 2HD1 LEU 111 10.295 -9.084 6.781 886 3HD1 LEU 111 3HD1 LEU 111 11.943 -9.664 6.543 887 1HD2 LEU 111 1HD2 LEU 111 13.617 -7.393 8.450 888 2HD2 LEU 111 2HD2 LEU 111 13.799 -7.202 6.706 889 3HD2 LEU 111 3HD2 LEU 111 13.628 -8.812 7.404 890 H THR 112 H THR 112 9.505 -5.062 4.847 891 HA THR 112 HA THR 112 10.250 -2.418 4.782 892 HB THR 112 HB THR 112 7.914 -3.723 3.372 893 HG1 THR 112 1HG THR 112 10.544 -3.206 2.457 894 1HG2 THR 112 1HG2 THR 112 8.485 -1.941 1.616 895 2HG2 THR 112 2HG2 THR 112 9.212 -1.064 2.963 896 3HG2 THR 112 3HG2 THR 112 7.499 -1.478 3.003 897 H ILE 113 H ILE 113 7.243 -3.812 5.982 898 HA ILE 113 HA ILE 113 5.877 -1.366 6.408 899 HB ILE 113 HB ILE 113 5.536 -4.159 7.462 900 1HG1 ILE 113 2HG1 ILE 113 4.744 -3.689 5.208 901 2HG1 ILE 113 1HG1 ILE 113 3.375 -3.972 6.279 902 1HG2 ILE 113 1HG2 ILE 113 4.199 -1.682 8.472 903 2HG2 ILE 113 2HG2 ILE 113 4.870 -3.038 9.378 904 3HG2 ILE 113 3HG2 ILE 113 3.361 -3.233 8.488 905 1HD1 ILE 113 1HD1 ILE 113 3.264 -1.429 6.500 906 2HD1 ILE 113 2HD1 ILE 113 2.735 -2.154 4.981 907 3HD1 ILE 113 3HD1 ILE 113 4.324 -1.396 5.090 908 H LYS 114 H LYS 114 7.345 -3.579 8.796 909 HA LYS 114 HA LYS 114 7.261 -1.874 10.964 910 1HB LYS 114 2HB LYS 114 9.140 -3.239 11.885 911 2HB LYS 114 1HB LYS 114 7.714 -4.131 11.378 912 1HG LYS 114 2HG LYS 114 9.410 -5.379 10.531 913 2HG LYS 114 1HG LYS 114 8.925 -4.389 9.161 914 1HD LYS 114 2HD LYS 114 11.426 -4.632 9.542 915 2HD LYS 114 1HD LYS 114 10.814 -2.991 9.365 916 1HE LYS 114 2HE LYS 114 12.477 -3.263 11.190 917 2HE LYS 114 1HE LYS 114 10.927 -2.618 11.723 918 1HZ LYS 114 1HZ LYS 114 10.795 -4.271 13.172 919 2HZ LYS 114 2HZ LYS 114 12.266 -4.907 12.634 920 3HZ LYS 114 3HZ LYS 114 10.816 -5.406 11.919 921 H HIS 115 H HIS 115 9.163 -1.619 8.194 922 HA HIS 115 HA HIS 115 11.264 -0.054 9.460 923 1HB HIS 115 2HB HIS 115 10.889 -1.357 6.850 924 2HB HIS 115 1HB HIS 115 11.748 0.178 6.805 925 HD1 HIS 115 1HD HIS 115 12.352 -3.315 7.183 926 HD2 HIS 115 2HD HIS 115 13.996 0.134 8.815 927 HE1 HIS 115 1HE HIS 115 14.601 -4.000 8.074 928 HE2 HIS 115 2HE HIS 115 15.617 -1.875 8.968 929 H ALA 116 H ALA 116 8.262 0.340 7.897 930 HA ALA 116 HA ALA 116 8.730 3.109 7.139 931 1HB ALA 116 1HB ALA 116 6.083 2.713 6.713 932 2HB ALA 116 2HB ALA 116 6.696 1.066 6.566 933 3HB ALA 116 3HB ALA 116 7.346 2.343 5.538 934 H PHE 117 H PHE 117 6.601 1.283 9.332 935 HA PHE 117 HA PHE 117 5.288 3.440 10.505 936 1HB PHE 117 2HB PHE 117 5.930 0.660 11.433 937 2HB PHE 117 1HB PHE 117 5.177 1.801 12.542 938 HD1 PHE 117 1HD PHE 117 2.883 2.378 12.347 939 HD2 PHE 117 2HD PHE 117 4.751 -0.022 9.373 940 HE1 PHE 117 1HE PHE 117 0.676 1.835 11.407 941 HE2 PHE 117 2HE PHE 117 2.550 -0.569 8.427 942 HZ PHE 117 HZ PHE 117 0.507 0.364 9.444 943 H GLU 118 H GLU 118 8.472 2.135 11.083 944 HA GLU 118 HA GLU 118 9.052 3.196 13.575 945 1HB GLU 118 2HB GLU 118 10.428 1.718 11.843 946 2HB GLU 118 1HB GLU 118 11.184 3.272 11.522 947 1HG GLU 118 2HG GLU 118 11.888 3.481 13.785 948 2HG GLU 118 1HG GLU 118 10.940 2.076 14.266 949 H GLU 119 H GLU 119 8.692 4.799 10.535 950 HA GLU 119 HA GLU 119 9.924 7.248 11.559 951 1HB GLU 119 2HB GLU 119 8.793 6.686 8.813 952 2HB GLU 119 1HB GLU 119 9.733 8.094 9.286 953 1HG GLU 119 2HG GLU 119 11.027 5.506 9.779 954 2HG GLU 119 1HG GLU 119 10.752 5.903 8.083 955 H TYR 120 H TYR 120 7.435 6.265 12.674 956 HA TYR 120 HA TYR 120 5.763 8.602 12.079 957 1HB TYR 120 2HB TYR 120 4.850 6.554 10.949 958 2HB TYR 120 1HB TYR 120 4.649 5.829 12.541 959 HD1 TYR 120 1HD TYR 120 2.669 6.161 13.721 960 HD2 TYR 120 2HD TYR 120 3.652 8.812 10.543 961 HE1 TYR 120 1HE TYR 120 0.456 7.216 13.925 962 HE2 TYR 120 2HE TYR 120 1.443 9.876 10.738 963 HH TYR 120 HH TYR 120 -0.364 9.954 13.050 964 H SER 121 H SER 121 7.668 8.026 14.216 965 HA SER 121 HA SER 121 5.945 8.673 16.444 966 1HB SER 121 2HB SER 121 7.404 6.070 16.249 967 2HB SER 121 1HB SER 121 7.281 6.857 17.823 968 HG SER 121 HG SER 121 5.534 5.316 17.038 Start of MODEL 28 1 1H MET 1 1HT MET 1 -3.415 0.374 18.359 2 2H MET 1 2HT MET 1 -2.863 -1.133 17.750 3 3H MET 1 3HT MET 1 -4.091 -0.266 16.920 4 HA MET 1 HA MET 1 -2.624 1.421 16.313 5 1HB MET 1 2HB MET 1 -0.932 0.089 18.378 6 2HB MET 1 1HB MET 1 -0.121 0.897 17.044 7 1HG MET 1 2HG MET 1 -1.565 2.920 17.631 8 2HG MET 1 1HG MET 1 -1.903 2.077 19.141 9 1HE MET 1 1HE MET 1 0.565 2.135 21.300 10 2HE MET 1 2HE MET 1 1.613 1.192 20.241 11 3HE MET 1 3HE MET 1 -0.116 0.853 20.297 12 H LYS 2 H LYS 2 -0.551 1.131 14.886 13 HA LYS 2 HA LYS 2 0.388 0.148 13.064 14 1HB LYS 2 2HB LYS 2 -0.214 -2.402 14.568 15 2HB LYS 2 1HB LYS 2 0.852 -2.269 13.175 16 1HG LYS 2 2HG LYS 2 1.408 -0.541 15.523 17 2HG LYS 2 1HG LYS 2 1.777 -2.263 15.644 18 1HD LYS 2 2HD LYS 2 2.904 -1.837 13.298 19 2HD LYS 2 1HD LYS 2 2.976 -0.175 13.889 20 1HE LYS 2 2HE LYS 2 4.445 -0.690 15.569 21 2HE LYS 2 1HE LYS 2 3.886 -2.357 15.695 22 1HZ LYS 2 1HZ LYS 2 5.978 -2.524 14.735 23 2HZ LYS 2 2HZ LYS 2 5.750 -1.185 13.728 24 3HZ LYS 2 3HZ LYS 2 4.941 -2.635 13.404 25 H ARG 3 H ARG 3 -1.019 0.672 11.457 26 HA ARG 3 HA ARG 3 -2.817 -1.453 10.574 27 1HB ARG 3 2HB ARG 3 -3.767 1.406 10.613 28 2HB ARG 3 1HB ARG 3 -4.707 -0.048 10.308 29 1HG ARG 3 2HG ARG 3 -5.358 0.291 12.435 30 2HG ARG 3 1HG ARG 3 -3.872 -0.591 12.789 31 1HD ARG 3 2HD ARG 3 -3.084 1.164 13.898 32 2HD ARG 3 1HD ARG 3 -3.210 2.151 12.442 33 HE ARG 3 HE ARG 3 -5.739 2.138 13.407 34 1HH1 ARG 3 1HH1 ARG 3 -2.640 2.896 14.822 35 2HH1 ARG 3 2HH1 ARG 3 -3.290 4.054 15.933 36 1HH2 ARG 3 1HH2 ARG 3 -6.595 3.661 14.868 37 2HH2 ARG 3 2HH2 ARG 3 -5.536 4.488 15.961 38 H VAL 4 H VAL 4 -2.605 -1.814 8.456 39 HA VAL 4 HA VAL 4 -1.433 0.324 6.792 40 HB VAL 4 HB VAL 4 -1.021 -2.641 6.396 41 1HG1 VAL 4 1HG1 VAL 4 1.001 -1.458 5.095 42 2HG1 VAL 4 2HG1 VAL 4 -0.224 -0.201 4.934 43 3HG1 VAL 4 3HG1 VAL 4 -0.549 -1.828 4.338 44 1HG2 VAL 4 1HG2 VAL 4 0.897 -0.633 7.581 45 2HG2 VAL 4 2HG2 VAL 4 1.215 -2.343 7.286 46 3HG2 VAL 4 3HG2 VAL 4 0.021 -1.863 8.492 47 H LEU 5 H LEU 5 -2.123 0.436 4.601 48 HA LEU 5 HA LEU 5 -4.783 -0.729 4.189 49 1HB LEU 5 2HB LEU 5 -4.508 1.752 4.050 50 2HB LEU 5 1HB LEU 5 -3.464 1.516 2.662 51 HG LEU 5 HG LEU 5 -5.367 0.436 1.468 52 1HD1 LEU 5 1HD1 LEU 5 -7.537 0.409 2.325 53 2HD1 LEU 5 2HD1 LEU 5 -7.136 1.524 3.630 54 3HD1 LEU 5 3HD1 LEU 5 -6.539 -0.134 3.672 55 1HD2 LEU 5 1HD2 LEU 5 -6.296 3.129 2.355 56 2HD2 LEU 5 2HD2 LEU 5 -6.243 2.433 0.736 57 3HD2 LEU 5 3HD2 LEU 5 -4.756 2.977 1.511 58 H VAL 6 H VAL 6 -5.233 -2.076 2.523 59 HA VAL 6 HA VAL 6 -2.982 -2.765 0.742 60 HB VAL 6 HB VAL 6 -5.217 -4.649 1.456 61 1HG1 VAL 6 1HG1 VAL 6 -4.055 -5.218 -0.553 62 2HG1 VAL 6 2HG1 VAL 6 -3.556 -6.335 0.717 63 3HG1 VAL 6 3HG1 VAL 6 -2.491 -5.013 0.237 64 1HG2 VAL 6 1HG2 VAL 6 -3.820 -5.658 3.120 65 2HG2 VAL 6 2HG2 VAL 6 -3.974 -3.944 3.498 66 3HG2 VAL 6 3HG2 VAL 6 -2.497 -4.551 2.750 67 H VAL 7 H VAL 7 -3.503 -1.499 -1.002 68 HA VAL 7 HA VAL 7 -6.192 -1.625 -2.060 69 HB VAL 7 HB VAL 7 -3.788 -0.076 -3.036 70 1HG1 VAL 7 1HG1 VAL 7 -6.414 -0.557 -4.225 71 2HG1 VAL 7 2HG1 VAL 7 -4.921 0.024 -4.961 72 3HG1 VAL 7 3HG1 VAL 7 -5.977 1.148 -4.106 73 1HG2 VAL 7 1HG2 VAL 7 -6.178 0.681 -1.377 74 2HG2 VAL 7 2HG2 VAL 7 -5.176 1.872 -2.206 75 3HG2 VAL 7 3HG2 VAL 7 -4.469 0.834 -0.968 76 H ASP 8 H ASP 8 -6.787 -3.165 -3.368 77 HA ASP 8 HA ASP 8 -5.016 -4.035 -5.508 78 1HB ASP 8 2HB ASP 8 -4.435 -5.739 -4.028 79 2HB ASP 8 1HB ASP 8 -6.030 -5.789 -3.291 80 H ASP 9 H ASP 9 -6.182 -3.663 -7.265 81 HA ASP 9 HA ASP 9 -8.875 -3.165 -7.423 82 1HB ASP 9 2HB ASP 9 -7.390 -2.583 -9.229 83 2HB ASP 9 1HB ASP 9 -7.027 -4.275 -9.543 84 H GLU 10 H GLU 10 -7.639 -6.084 -9.018 85 HA GLU 10 HA GLU 10 -10.155 -7.417 -8.420 86 1HB GLU 10 2HB GLU 10 -8.818 -7.400 -10.685 87 2HB GLU 10 1HB GLU 10 -7.935 -8.725 -9.938 88 1HG GLU 10 2HG GLU 10 -10.758 -9.122 -9.623 89 2HG GLU 10 1HG GLU 10 -10.367 -8.835 -11.318 90 H GLU 11 H GLU 11 -9.907 -9.883 -7.989 91 HA GLU 11 HA GLU 11 -9.306 -11.567 -6.582 92 1HB GLU 11 2HB GLU 11 -6.849 -10.319 -7.263 93 2HB GLU 11 1HB GLU 11 -6.798 -10.661 -5.539 94 1HG GLU 11 2HG GLU 11 -7.852 -12.939 -6.865 95 2HG GLU 11 1HG GLU 11 -6.391 -12.429 -7.709 96 H SER 12 H SER 12 -10.500 -11.621 -4.799 97 HA SER 12 HA SER 12 -10.973 -9.536 -3.039 98 1HB SER 12 2HB SER 12 -12.454 -11.417 -3.039 99 2HB SER 12 1HB SER 12 -11.147 -12.526 -2.623 100 HG SER 12 HG SER 12 -11.229 -11.890 -0.584 101 H ILE 13 H ILE 13 -9.187 -8.478 -2.275 102 HA ILE 13 HA ILE 13 -7.501 -7.966 -0.866 103 HB ILE 13 HB ILE 13 -8.040 -10.663 0.287 104 1HG1 ILE 13 2HG1 ILE 13 -10.006 -9.143 0.294 105 2HG1 ILE 13 1HG1 ILE 13 -9.466 -9.598 1.907 106 1HG2 ILE 13 1HG2 ILE 13 -5.924 -10.039 1.084 107 2HG2 ILE 13 2HG2 ILE 13 -7.040 -9.607 2.380 108 3HG2 ILE 13 3HG2 ILE 13 -6.418 -8.360 1.298 109 1HD1 ILE 13 1HD1 ILE 13 -8.202 -7.166 0.965 110 2HD1 ILE 13 2HD1 ILE 13 -9.069 -7.489 2.467 111 3HD1 ILE 13 3HD1 ILE 13 -9.960 -7.049 1.009 112 H THR 14 H THR 14 -5.291 -8.664 -0.280 113 HA THR 14 HA THR 14 -4.110 -10.118 -2.505 114 HB THR 14 HB THR 14 -2.101 -9.030 -2.008 115 HG1 THR 14 1HG THR 14 -1.527 -9.188 0.001 116 1HG2 THR 14 1HG2 THR 14 -3.643 -7.326 -2.708 117 2HG2 THR 14 2HG2 THR 14 -2.601 -6.673 -1.445 118 3HG2 THR 14 3HG2 THR 14 -4.256 -7.149 -1.065 119 H SER 15 H SER 15 -4.248 -12.257 -2.179 120 HA SER 15 HA SER 15 -4.436 -13.720 0.082 121 1HB SER 15 2HB SER 15 -2.612 -14.807 -2.015 122 2HB SER 15 1HB SER 15 -3.964 -15.581 -1.188 123 HG SER 15 HG SER 15 -3.927 -14.187 -3.522 124 H SER 16 H SER 16 -3.165 -14.608 1.622 125 HA SER 16 HA SER 16 -1.289 -15.177 2.810 126 1HB SER 16 2HB SER 16 0.459 -13.543 0.987 127 2HB SER 16 1HB SER 16 0.889 -14.942 1.973 128 HG SER 16 HG SER 16 0.060 -16.261 0.501 129 H LEU 17 H LEU 17 -2.204 -11.957 2.013 130 HA LEU 17 HA LEU 17 -0.455 -10.629 3.818 131 1HB LEU 17 2HB LEU 17 -2.336 -9.844 1.914 132 2HB LEU 17 1HB LEU 17 -3.006 -9.275 3.424 133 HG LEU 17 HG LEU 17 -0.984 -8.085 1.810 134 1HD1 LEU 17 1HD1 LEU 17 -1.787 -6.264 2.757 135 2HD1 LEU 17 2HD1 LEU 17 -1.440 -6.842 4.384 136 3HD1 LEU 17 3HD1 LEU 17 -2.934 -7.320 3.578 137 1HD2 LEU 17 1HD2 LEU 17 0.728 -7.604 3.506 138 2HD2 LEU 17 2HD2 LEU 17 0.693 -9.303 3.044 139 3HD2 LEU 17 3HD2 LEU 17 -0.016 -8.794 4.574 140 H SER 18 H SER 18 -3.908 -11.469 4.062 141 HA SER 18 HA SER 18 -4.504 -10.582 6.562 142 1HB SER 18 2HB SER 18 -5.813 -12.108 4.754 143 2HB SER 18 1HB SER 18 -5.490 -13.316 5.998 144 HG SER 18 HG SER 18 -6.786 -10.818 6.375 145 H ALA 19 H ALA 19 -3.573 -13.984 6.019 146 HA ALA 19 HA ALA 19 -3.192 -14.740 8.625 147 1HB ALA 19 1HB ALA 19 -1.945 -15.634 6.064 148 2HB ALA 19 2HB ALA 19 -3.084 -16.478 7.112 149 3HB ALA 19 3HB ALA 19 -1.395 -16.316 7.594 150 H ILE 20 H ILE 20 -0.894 -13.105 6.508 151 HA ILE 20 HA ILE 20 1.333 -13.239 8.231 152 HB ILE 20 HB ILE 20 0.626 -11.431 5.935 153 1HG1 ILE 20 2HG1 ILE 20 2.867 -13.423 6.221 154 2HG1 ILE 20 1HG1 ILE 20 1.268 -13.859 5.628 155 1HG2 ILE 20 1HG2 ILE 20 2.750 -11.069 7.928 156 2HG2 ILE 20 2HG2 ILE 20 2.021 -9.908 6.820 157 3HG2 ILE 20 3HG2 ILE 20 3.281 -11.001 6.248 158 1HD1 ILE 20 1HD1 ILE 20 3.411 -12.285 4.333 159 2HD1 ILE 20 2HD1 ILE 20 1.739 -11.856 3.975 160 3HD1 ILE 20 3HD1 ILE 20 2.318 -13.491 3.655 161 H LEU 21 H LEU 21 -0.605 -10.328 7.477 162 HA LEU 21 HA LEU 21 0.347 -8.673 9.441 163 1HB LEU 21 2HB LEU 21 -2.540 -8.844 8.605 164 2HB LEU 21 1HB LEU 21 -1.718 -7.445 9.272 165 HG LEU 21 HG LEU 21 -0.403 -8.447 6.880 166 1HD1 LEU 21 1HD1 LEU 21 -3.162 -8.650 6.769 167 2HD1 LEU 21 2HD1 LEU 21 -2.050 -8.574 5.403 168 3HD1 LEU 21 3HD1 LEU 21 -2.806 -7.101 6.005 169 1HD2 LEU 21 1HD2 LEU 21 -1.271 -5.891 8.084 170 2HD2 LEU 21 2HD2 LEU 21 -1.068 -5.925 6.333 171 3HD2 LEU 21 3HD2 LEU 21 0.281 -6.352 7.386 172 H GLU 22 H GLU 22 -1.855 -11.352 9.778 173 HA GLU 22 HA GLU 22 -2.807 -10.699 12.379 174 1HB GLU 22 2HB GLU 22 -2.731 -13.324 10.891 175 2HB GLU 22 1HB GLU 22 -3.557 -13.076 12.424 176 1HG GLU 22 2HG GLU 22 -5.229 -11.836 11.486 177 2HG GLU 22 1HG GLU 22 -4.220 -11.282 10.151 178 H GLU 23 H GLU 23 0.066 -12.221 11.165 179 HA GLU 23 HA GLU 23 0.758 -13.466 13.669 180 1HB GLU 23 2HB GLU 23 1.522 -14.591 11.731 181 2HB GLU 23 1HB GLU 23 2.152 -13.111 11.024 182 1HG GLU 23 2HG GLU 23 4.046 -14.228 11.701 183 2HG GLU 23 1HG GLU 23 3.765 -13.091 13.016 184 H GLU 24 H GLU 24 1.689 -10.604 11.820 185 HA GLU 24 HA GLU 24 3.678 -9.777 13.695 186 1HB GLU 24 2HB GLU 24 2.608 -8.812 11.158 187 2HB GLU 24 1HB GLU 24 3.060 -7.525 12.267 188 1HG GLU 24 2HG GLU 24 4.899 -8.071 10.797 189 2HG GLU 24 1HG GLU 24 5.297 -8.477 12.465 190 H GLY 25 H GLY 25 0.278 -9.146 13.214 191 1HA GLY 25 2HA GLY 25 -1.139 -8.482 15.001 192 2HA GLY 25 1HA GLY 25 0.243 -7.721 15.769 193 H TYR 26 H TYR 26 -0.526 -7.302 12.386 194 HA TYR 26 HA TYR 26 -0.770 -4.440 12.809 195 1HB TYR 26 2HB TYR 26 -0.514 -6.182 10.371 196 2HB TYR 26 1HB TYR 26 -0.944 -4.483 10.233 197 HD1 TYR 26 1HD TYR 26 0.654 -2.764 11.225 198 HD2 TYR 26 2HD TYR 26 1.730 -6.831 10.589 199 HE1 TYR 26 1HE TYR 26 3.030 -2.143 11.319 200 HE2 TYR 26 2HE TYR 26 4.110 -6.221 10.683 201 HH TYR 26 HH TYR 26 5.530 -4.468 11.555 202 H HIS 27 H HIS 27 -2.424 -3.528 10.958 203 HA HIS 27 HA HIS 27 -4.996 -4.892 11.269 204 1HB HIS 27 2HB HIS 27 -4.400 -2.848 12.934 205 2HB HIS 27 1HB HIS 27 -5.062 -1.944 11.576 206 HD1 HIS 27 1HD HIS 27 -7.289 -4.019 10.804 207 HD2 HIS 27 2HD HIS 27 -6.539 -2.595 14.635 208 HE1 HIS 27 1HE HIS 27 -9.443 -4.321 12.067 209 HE2 HIS 27 2HE HIS 27 -8.993 -3.361 14.353 210 HA PRO 28 HA PRO 28 -4.505 -3.475 6.957 211 1HB PRO 28 2HB PRO 28 -5.688 -5.604 5.808 212 2HB PRO 28 1HB PRO 28 -4.005 -5.632 6.346 213 1HG PRO 28 2HG PRO 28 -6.435 -6.758 7.663 214 2HG PRO 28 1HG PRO 28 -4.804 -7.439 7.550 215 1HD PRO 28 2HD PRO 28 -5.795 -6.141 9.765 216 2HD PRO 28 1HD PRO 28 -4.070 -6.279 9.379 217 H ASP 29 H ASP 29 -5.968 -2.455 5.642 218 HA ASP 29 HA ASP 29 -8.769 -2.648 6.460 219 1HB ASP 29 2HB ASP 29 -7.525 -0.481 7.040 220 2HB ASP 29 1HB ASP 29 -7.642 -0.129 5.318 221 H THR 30 H THR 30 -6.756 -3.256 4.013 222 HA THR 30 HA THR 30 -6.908 -3.204 1.711 223 HB THR 30 HB THR 30 -8.081 -5.128 1.052 224 HG1 THR 30 1HG THR 30 -9.658 -4.928 3.399 225 1HG2 THR 30 1HG2 THR 30 -6.881 -6.492 2.304 226 2HG2 THR 30 2HG2 THR 30 -7.954 -6.231 3.679 227 3HG2 THR 30 3HG2 THR 30 -6.576 -5.161 3.422 228 H ALA 31 H ALA 31 -7.565 -1.997 0.134 229 HA ALA 31 HA ALA 31 -10.400 -1.243 -0.059 230 1HB ALA 31 1HB ALA 31 -8.917 0.604 0.878 231 2HB ALA 31 2HB ALA 31 -9.894 1.012 -0.532 232 3HB ALA 31 3HB ALA 31 -8.174 0.669 -0.721 233 H LYS 32 H LYS 32 -11.195 -1.064 -2.188 234 HA LYS 32 HA LYS 32 -9.985 -2.689 -4.128 235 1HB LYS 32 2HB LYS 32 -12.406 -1.243 -3.864 236 2HB LYS 32 1HB LYS 32 -11.681 -0.731 -5.383 237 1HG LYS 32 2HG LYS 32 -11.389 -3.273 -5.798 238 2HG LYS 32 1HG LYS 32 -12.629 -3.431 -4.552 239 1HD LYS 32 2HD LYS 32 -14.064 -3.224 -6.270 240 2HD LYS 32 1HD LYS 32 -13.707 -1.502 -6.132 241 1HE LYS 32 2HE LYS 32 -11.856 -1.841 -7.780 242 2HE LYS 32 1HE LYS 32 -12.435 -3.492 -8.005 243 1HZ LYS 32 1HZ LYS 32 -14.556 -2.611 -8.747 244 2HZ LYS 32 2HZ LYS 32 -13.299 -2.002 -9.701 245 3HZ LYS 32 3HZ LYS 32 -14.012 -1.027 -8.516 246 H THR 33 H THR 33 -9.860 -1.463 -6.536 247 HA THR 33 HA THR 33 -7.352 -0.422 -6.669 248 HB THR 33 HB THR 33 -9.299 0.696 -8.609 249 HG1 THR 33 1HG THR 33 -10.278 -1.140 -8.797 250 1HG2 THR 33 1HG2 THR 33 -6.571 -0.393 -8.639 251 2HG2 THR 33 2HG2 THR 33 -7.291 0.912 -9.582 252 3HG2 THR 33 3HG2 THR 33 -7.569 -0.767 -10.045 253 H LEU 34 H LEU 34 -6.691 1.747 -7.440 254 HA LEU 34 HA LEU 34 -6.643 3.658 -5.628 255 1HB LEU 34 2HB LEU 34 -7.084 4.531 -8.465 256 2HB LEU 34 1HB LEU 34 -6.030 5.237 -7.255 257 HG LEU 34 HG LEU 34 -5.578 2.565 -8.591 258 1HD1 LEU 34 1HD1 LEU 34 -3.749 3.687 -9.760 259 2HD1 LEU 34 2HD1 LEU 34 -4.243 5.225 -9.053 260 3HD1 LEU 34 3HD1 LEU 34 -5.315 4.384 -10.171 261 1HD2 LEU 34 1HD2 LEU 34 -4.669 3.318 -6.158 262 2HD2 LEU 34 2HD2 LEU 34 -3.394 3.958 -7.196 263 3HD2 LEU 34 3HD2 LEU 34 -3.798 2.242 -7.250 264 H ARG 35 H ARG 35 -9.375 3.287 -7.842 265 HA ARG 35 HA ARG 35 -10.742 5.632 -7.188 266 1HB ARG 35 2HB ARG 35 -11.299 3.210 -8.608 267 2HB ARG 35 1HB ARG 35 -12.662 3.565 -7.555 268 1HG ARG 35 2HG ARG 35 -13.113 5.583 -8.611 269 2HG ARG 35 1HG ARG 35 -11.500 5.685 -9.319 270 1HD ARG 35 2HD ARG 35 -12.455 4.905 -11.184 271 2HD ARG 35 1HD ARG 35 -12.463 3.343 -10.368 272 HE ARG 35 HE ARG 35 -14.731 3.466 -10.358 273 1HH1 ARG 35 1HH1 ARG 35 -13.482 6.723 -10.462 274 2HH1 ARG 35 2HH1 ARG 35 -15.050 7.454 -10.553 275 1HH2 ARG 35 1HH2 ARG 35 -16.793 4.426 -10.478 276 2HH2 ARG 35 2HH2 ARG 35 -16.929 6.151 -10.560 277 H GLU 36 H GLU 36 -11.400 2.368 -5.913 278 HA GLU 36 HA GLU 36 -13.027 3.272 -3.794 279 1HB GLU 36 2HB GLU 36 -12.686 0.876 -4.876 280 2HB GLU 36 1HB GLU 36 -11.534 0.699 -3.558 281 1HG GLU 36 2HG GLU 36 -13.245 0.061 -2.306 282 2HG GLU 36 1HG GLU 36 -13.777 1.742 -2.331 283 H ALA 37 H ALA 37 -9.570 2.922 -4.136 284 HA ALA 37 HA ALA 37 -8.980 2.928 -1.340 285 1HB ALA 37 1HB ALA 37 -7.115 3.849 -3.514 286 2HB ALA 37 2HB ALA 37 -7.460 2.143 -3.226 287 3HB ALA 37 3HB ALA 37 -6.714 3.117 -1.960 288 H GLU 38 H GLU 38 -8.634 5.454 -3.848 289 HA GLU 38 HA GLU 38 -7.908 7.568 -2.276 290 1HB GLU 38 2HB GLU 38 -9.761 7.530 -4.654 291 2HB GLU 38 1HB GLU 38 -9.182 9.015 -3.913 292 1HG GLU 38 2HG GLU 38 -6.984 8.631 -4.571 293 2HG GLU 38 1HG GLU 38 -7.276 6.920 -4.867 294 H LYS 39 H LYS 39 -11.171 6.286 -2.767 295 HA LYS 39 HA LYS 39 -12.538 8.265 -1.304 296 1HB LYS 39 2HB LYS 39 -13.687 6.633 -2.738 297 2HB LYS 39 1HB LYS 39 -13.218 5.337 -1.647 298 1HG LYS 39 2HG LYS 39 -14.718 7.592 -0.467 299 2HG LYS 39 1HG LYS 39 -15.601 6.524 -1.558 300 1HD LYS 39 2HD LYS 39 -14.835 4.590 -0.212 301 2HD LYS 39 1HD LYS 39 -14.072 5.715 0.914 302 1HE LYS 39 2HE LYS 39 -16.930 6.168 0.282 303 2HE LYS 39 1HE LYS 39 -16.543 4.758 1.265 304 1HZ LYS 39 1HZ LYS 39 -16.929 6.543 2.738 305 2HZ LYS 39 2HZ LYS 39 -15.938 7.598 1.860 306 3HZ LYS 39 3HZ LYS 39 -15.253 6.313 2.722 307 H LYS 40 H LYS 40 -11.352 5.058 -0.320 308 HA LYS 40 HA LYS 40 -11.994 5.258 2.393 309 1HB LYS 40 2HB LYS 40 -9.837 3.692 0.985 310 2HB LYS 40 1HB LYS 40 -10.208 3.507 2.694 311 1HG LYS 40 2HG LYS 40 -12.668 3.214 1.573 312 2HG LYS 40 1HG LYS 40 -11.625 2.507 0.338 313 1HD LYS 40 2HD LYS 40 -10.725 0.938 1.877 314 2HD LYS 40 1HD LYS 40 -11.450 1.771 3.253 315 1HE LYS 40 2HE LYS 40 -13.003 0.430 1.043 316 2HE LYS 40 1HE LYS 40 -12.644 -0.306 2.604 317 1HZ LYS 40 1HZ LYS 40 -14.293 2.108 2.103 318 2HZ LYS 40 2HZ LYS 40 -13.823 1.596 3.644 319 3HZ LYS 40 3HZ LYS 40 -14.820 0.613 2.697 320 H ILE 41 H ILE 41 -9.180 6.388 0.603 321 HA ILE 41 HA ILE 41 -7.860 7.228 3.068 322 HB ILE 41 HB ILE 41 -6.927 7.594 0.227 323 1HG1 ILE 41 2HG1 ILE 41 -6.117 5.446 2.193 324 2HG1 ILE 41 1HG1 ILE 41 -7.294 5.201 0.908 325 1HG2 ILE 41 1HG2 ILE 41 -5.775 8.177 2.890 326 2HG2 ILE 41 2HG2 ILE 41 -5.572 9.022 1.355 327 3HG2 ILE 41 3HG2 ILE 41 -4.685 7.530 1.664 328 1HD1 ILE 41 1HD1 ILE 41 -5.048 6.288 -0.336 329 2HD1 ILE 41 2HD1 ILE 41 -5.622 4.622 -0.410 330 3HD1 ILE 41 3HD1 ILE 41 -4.434 5.094 0.807 331 H LYS 42 H LYS 42 -10.158 8.504 1.032 332 HA LYS 42 HA LYS 42 -9.380 11.133 0.605 333 1HB LYS 42 2HB LYS 42 -11.586 9.698 0.036 334 2HB LYS 42 1HB LYS 42 -12.205 10.722 1.324 335 1HG LYS 42 2HG LYS 42 -10.649 12.122 -0.732 336 2HG LYS 42 1HG LYS 42 -12.161 11.402 -1.291 337 1HD LYS 42 2HD LYS 42 -13.456 12.722 0.097 338 2HD LYS 42 1HD LYS 42 -12.129 13.016 1.224 339 1HE LYS 42 2HE LYS 42 -12.029 14.050 -1.588 340 2HE LYS 42 1HE LYS 42 -12.890 14.932 -0.329 341 1HZ LYS 42 1HZ LYS 42 -10.414 15.452 -0.797 342 2HZ LYS 42 2HZ LYS 42 -10.115 14.074 0.137 343 3HZ LYS 42 3HZ LYS 42 -10.958 15.383 0.802 344 H GLU 43 H GLU 43 -10.165 9.558 3.545 345 HA GLU 43 HA GLU 43 -9.909 12.104 4.959 346 1HB GLU 43 2HB GLU 43 -12.020 10.043 5.610 347 2HB GLU 43 1HB GLU 43 -11.730 11.541 6.484 348 1HG GLU 43 2HG GLU 43 -12.538 12.856 4.720 349 2HG GLU 43 1HG GLU 43 -12.454 11.518 3.575 350 H LEU 44 H LEU 44 -10.055 8.570 5.255 351 HA LEU 44 HA LEU 44 -8.890 8.348 7.783 352 1HB LEU 44 2HB LEU 44 -9.817 6.605 5.836 353 2HB LEU 44 1HB LEU 44 -8.112 6.212 5.959 354 HG LEU 44 HG LEU 44 -9.432 4.785 7.419 355 1HD1 LEU 44 1HD1 LEU 44 -7.283 5.111 8.259 356 2HD1 LEU 44 2HD1 LEU 44 -8.331 5.468 9.632 357 3HD1 LEU 44 3HD1 LEU 44 -7.610 6.784 8.707 358 1HD2 LEU 44 1HD2 LEU 44 -11.339 5.795 8.106 359 2HD2 LEU 44 2HD2 LEU 44 -10.577 7.379 8.256 360 3HD2 LEU 44 3HD2 LEU 44 -10.344 6.166 9.515 361 H PHE 45 H PHE 45 -6.934 8.863 8.483 362 HA PHE 45 HA PHE 45 -4.816 9.440 6.584 363 1HB PHE 45 2HB PHE 45 -5.365 10.908 8.578 364 2HB PHE 45 1HB PHE 45 -4.683 9.643 9.594 365 HD1 PHE 45 1HD PHE 45 -3.956 12.270 7.165 366 HD2 PHE 45 2HD PHE 45 -2.305 9.209 9.617 367 HE1 PHE 45 1HE PHE 45 -1.712 13.221 6.834 368 HE2 PHE 45 2HE PHE 45 -0.057 10.156 9.292 369 HZ PHE 45 HZ PHE 45 0.243 12.164 7.897 370 H PHE 46 H PHE 46 -4.654 7.155 5.931 371 HA PHE 46 HA PHE 46 -3.775 5.147 7.711 372 1HB PHE 46 2HB PHE 46 -3.805 5.465 4.735 373 2HB PHE 46 1HB PHE 46 -2.891 4.140 5.448 374 HD1 PHE 46 1HD PHE 46 -6.129 5.345 4.498 375 HD2 PHE 46 2HD PHE 46 -4.100 2.493 6.918 376 HE1 PHE 46 1HE PHE 46 -8.194 4.017 4.657 377 HE2 PHE 46 2HE PHE 46 -6.161 1.160 7.081 378 HZ PHE 46 HZ PHE 46 -8.212 1.923 5.951 379 HA PRO 47 HA PRO 47 0.466 6.462 8.145 380 1HB PRO 47 2HB PRO 47 1.406 4.322 9.485 381 2HB PRO 47 1HB PRO 47 0.329 5.499 10.246 382 1HG PRO 47 2HG PRO 47 -0.311 2.817 9.086 383 2HG PRO 47 1HG PRO 47 -0.879 3.543 10.601 384 1HD PRO 47 2HD PRO 47 -2.364 3.502 8.315 385 2HD PRO 47 1HD PRO 47 -2.506 4.775 9.544 386 H VAL 48 H VAL 48 -0.448 3.342 6.829 387 HA VAL 48 HA VAL 48 1.826 3.478 4.992 388 HB VAL 48 HB VAL 48 1.086 0.834 6.193 389 1HG1 VAL 48 1HG1 VAL 48 2.934 1.761 4.243 390 2HG1 VAL 48 2HG1 VAL 48 2.665 0.113 4.810 391 3HG1 VAL 48 3HG1 VAL 48 3.848 1.141 5.618 392 1HG2 VAL 48 1HG2 VAL 48 1.592 2.043 8.143 393 2HG2 VAL 48 2HG2 VAL 48 2.908 2.916 7.358 394 3HG2 VAL 48 3HG2 VAL 48 3.083 1.199 7.723 395 H ILE 49 H ILE 49 1.327 2.973 2.968 396 HA ILE 49 HA ILE 49 -1.302 1.754 2.436 397 HB ILE 49 HB ILE 49 0.195 3.549 0.533 398 1HG1 ILE 49 2HG1 ILE 49 -0.295 4.834 2.555 399 2HG1 ILE 49 1HG1 ILE 49 -1.329 5.358 1.229 400 1HG2 ILE 49 1HG2 ILE 49 -2.387 2.134 0.538 401 2HG2 ILE 49 2HG2 ILE 49 -1.341 2.591 -0.807 402 3HG2 ILE 49 3HG2 ILE 49 -2.417 3.785 -0.082 403 1HD1 ILE 49 1HD1 ILE 49 -2.040 3.805 3.675 404 2HD1 ILE 49 2HD1 ILE 49 -3.046 3.718 2.230 405 3HD1 ILE 49 3HD1 ILE 49 -2.776 5.269 3.023 406 H VAL 50 H VAL 50 -1.447 0.165 0.854 407 HA VAL 50 HA VAL 50 1.102 -0.770 -0.283 408 HB VAL 50 HB VAL 50 -1.031 -2.577 0.855 409 1HG1 VAL 50 1HG1 VAL 50 1.566 -3.070 -0.555 410 2HG1 VAL 50 2HG1 VAL 50 -0.016 -3.786 -0.857 411 3HG1 VAL 50 3HG1 VAL 50 0.905 -4.255 0.571 412 1HG2 VAL 50 1HG2 VAL 50 0.253 -2.880 2.744 413 2HG2 VAL 50 2HG2 VAL 50 0.485 -1.161 2.426 414 3HG2 VAL 50 3HG2 VAL 50 1.729 -2.319 1.956 415 H LEU 51 H LEU 51 0.882 -0.366 -2.368 416 HA LEU 51 HA LEU 51 -1.668 -0.967 -3.694 417 1HB LEU 51 2HB LEU 51 -0.693 1.277 -4.034 418 2HB LEU 51 1HB LEU 51 0.738 0.540 -4.727 419 HG LEU 51 HG LEU 51 -0.706 -0.416 -6.532 420 1HD1 LEU 51 1HD1 LEU 51 -2.932 0.330 -6.838 421 2HD1 LEU 51 2HD1 LEU 51 -2.799 1.490 -5.517 422 3HD1 LEU 51 3HD1 LEU 51 -2.816 -0.240 -5.174 423 1HD2 LEU 51 1HD2 LEU 51 -0.012 2.388 -6.101 424 2HD2 LEU 51 2HD2 LEU 51 -1.292 2.151 -7.290 425 3HD2 LEU 51 3HD2 LEU 51 0.267 1.351 -7.500 426 H ASP 52 H ASP 52 -1.752 -2.309 -5.513 427 HA ASP 52 HA ASP 52 0.592 -4.062 -5.857 428 1HB ASP 52 2HB ASP 52 -1.681 -4.913 -4.779 429 2HB ASP 52 1HB ASP 52 -2.149 -5.065 -6.470 430 H VAL 53 H VAL 53 -2.012 -2.331 -7.443 431 HA VAL 53 HA VAL 53 -2.355 -1.746 -9.618 432 HB VAL 53 HB VAL 53 0.578 -2.447 -9.867 433 1HG1 VAL 53 1HG1 VAL 53 0.072 -2.425 -12.073 434 2HG1 VAL 53 2HG1 VAL 53 0.202 -0.683 -11.835 435 3HG1 VAL 53 3HG1 VAL 53 -1.384 -1.456 -11.845 436 1HG2 VAL 53 1HG2 VAL 53 0.130 -0.642 -8.290 437 2HG2 VAL 53 2HG2 VAL 53 -0.802 0.212 -9.520 438 3HG2 VAL 53 3HG2 VAL 53 0.931 -0.031 -9.738 439 H TRP 54 H TRP 54 -3.597 -3.933 -9.348 440 HA TRP 54 HA TRP 54 -2.649 -6.279 -10.545 441 1HB TRP 54 2HB TRP 54 -4.650 -6.295 -9.172 442 2HB TRP 54 1HB TRP 54 -5.482 -5.239 -10.307 443 HD1 TRP 54 HD TRP 54 -7.247 -6.602 -11.552 444 HE1 TRP 54 1HE TRP 54 -7.370 -8.948 -12.606 445 HE3 TRP 54 3HE TRP 54 -2.611 -8.311 -10.261 446 HZ2 TRP 54 2HZ TRP 54 -5.714 -11.223 -12.858 447 HZ3 TRP 54 3HZ TRP 54 -1.954 -10.582 -10.946 448 HH2 TRP 54 HH TRP 54 -3.476 -12.007 -12.218 449 H MET 55 H MET 55 -5.292 -4.469 -12.054 450 HA MET 55 HA MET 55 -3.798 -4.138 -14.510 451 1HB MET 55 2HB MET 55 -5.102 -6.495 -14.263 452 2HB MET 55 1HB MET 55 -6.386 -5.503 -14.940 453 1HG MET 55 2HG MET 55 -4.905 -4.896 -16.805 454 2HG MET 55 1HG MET 55 -3.663 -5.953 -16.138 455 1HE MET 55 1HE MET 55 -6.358 -7.056 -19.304 456 2HE MET 55 2HE MET 55 -4.652 -6.608 -19.276 457 3HE MET 55 3HE MET 55 -5.873 -5.473 -18.698 458 HA PRO 56 HA PRO 56 -7.352 -1.128 -13.631 459 1HB PRO 56 2HB PRO 56 -5.435 0.832 -12.663 460 2HB PRO 56 1HB PRO 56 -6.834 0.149 -11.832 461 1HG PRO 56 2HG PRO 56 -4.278 -0.370 -11.096 462 2HG PRO 56 1HG PRO 56 -5.604 -1.522 -10.867 463 1HD PRO 56 2HD PRO 56 -3.526 -1.437 -13.031 464 2HD PRO 56 1HD PRO 56 -4.126 -2.826 -12.102 465 H ASP 57 H ASP 57 -6.510 1.627 -13.982 466 HA ASP 57 HA ASP 57 -5.320 1.582 -16.664 467 1HB ASP 57 2HB ASP 57 -7.036 3.269 -17.385 468 2HB ASP 57 1HB ASP 57 -7.679 1.656 -17.089 469 H GLY 58 H GLY 58 -4.503 2.450 -13.865 470 1HA GLY 58 2HA GLY 58 -3.710 5.190 -14.626 471 2HA GLY 58 1HA GLY 58 -4.234 4.812 -12.995 472 H ASP 59 H ASP 59 -2.619 2.131 -13.898 473 HA ASP 59 HA ASP 59 -0.626 1.245 -13.267 474 1HB ASP 59 2HB ASP 59 0.207 3.863 -14.496 475 2HB ASP 59 1HB ASP 59 1.397 2.720 -13.879 476 H GLY 60 H GLY 60 -2.127 2.898 -11.325 477 1HA GLY 60 2HA GLY 60 -1.898 3.760 -9.210 478 2HA GLY 60 1HA GLY 60 -0.562 2.632 -9.090 479 H VAL 61 H VAL 61 -0.248 5.110 -11.479 480 HA VAL 61 HA VAL 61 1.925 6.278 -9.971 481 HB VAL 61 HB VAL 61 0.935 7.008 -12.730 482 1HG1 VAL 61 1HG1 VAL 61 3.402 7.611 -11.154 483 2HG1 VAL 61 2HG1 VAL 61 2.328 8.718 -12.010 484 3HG1 VAL 61 3HG1 VAL 61 3.407 7.658 -12.917 485 1HG2 VAL 61 1HG2 VAL 61 2.917 4.918 -11.856 486 2HG2 VAL 61 2HG2 VAL 61 2.838 5.553 -13.500 487 3HG2 VAL 61 3HG2 VAL 61 1.456 4.694 -12.818 488 H ASN 62 H ASN 62 -1.155 7.321 -11.422 489 HA ASN 62 HA ASN 62 -0.983 10.008 -10.649 490 1HB ASN 62 2HB ASN 62 -3.437 9.947 -11.092 491 2HB ASN 62 1HB ASN 62 -2.462 9.325 -12.408 492 1HD2 ASN 62 1HD2 ASN 62 -4.765 8.507 -12.814 493 2HD2 ASN 62 2HD2 ASN 62 -5.111 6.925 -12.213 494 H PHE 63 H PHE 63 -1.579 7.157 -8.878 495 HA PHE 63 HA PHE 63 -3.151 8.416 -6.802 496 1HB PHE 63 2HB PHE 63 -3.375 5.993 -7.558 497 2HB PHE 63 1HB PHE 63 -1.861 5.689 -6.718 498 HD1 PHE 63 1HD PHE 63 -4.467 8.005 -5.511 499 HD2 PHE 63 2HD PHE 63 -2.704 4.151 -5.132 500 HE1 PHE 63 1HE PHE 63 -5.706 7.649 -3.420 501 HE2 PHE 63 2HE PHE 63 -3.945 3.786 -3.041 502 HZ PHE 63 HZ PHE 63 -5.449 5.537 -2.183 503 H ILE 64 H ILE 64 0.178 7.610 -7.430 504 HA ILE 64 HA ILE 64 1.340 7.521 -4.956 505 HB ILE 64 HB ILE 64 2.530 9.160 -7.190 506 1HG1 ILE 64 2HG1 ILE 64 1.797 7.088 -8.202 507 2HG1 ILE 64 1HG1 ILE 64 3.541 7.027 -7.994 508 1HG2 ILE 64 1HG2 ILE 64 4.646 8.200 -6.268 509 2HG2 ILE 64 2HG2 ILE 64 3.696 7.548 -4.934 510 3HG2 ILE 64 3HG2 ILE 64 3.793 9.291 -5.179 511 1HD1 ILE 64 1HD1 ILE 64 1.428 5.598 -6.429 512 2HD1 ILE 64 2HD1 ILE 64 3.094 5.739 -5.866 513 3HD1 ILE 64 3HD1 ILE 64 2.743 4.916 -7.385 514 H ASP 65 H ASP 65 0.385 10.428 -6.744 515 HA ASP 65 HA ASP 65 1.372 12.259 -4.810 516 1HB ASP 65 2HB ASP 65 0.455 12.492 -7.373 517 2HB ASP 65 1HB ASP 65 -0.896 13.160 -6.461 518 H PHE 66 H PHE 66 -1.851 10.903 -5.445 519 HA PHE 66 HA PHE 66 -3.371 12.324 -3.661 520 1HB PHE 66 2HB PHE 66 -4.190 10.588 -5.255 521 2HB PHE 66 1HB PHE 66 -3.589 9.352 -4.156 522 HD1 PHE 66 1HD PHE 66 -4.537 9.338 -1.777 523 HD2 PHE 66 2HD PHE 66 -6.328 11.443 -5.014 524 HE1 PHE 66 1HE PHE 66 -6.676 9.380 -0.563 525 HE2 PHE 66 2HE PHE 66 -8.470 11.487 -3.805 526 HZ PHE 66 HZ PHE 66 -8.646 10.452 -1.578 527 H ILE 67 H ILE 67 -1.272 9.555 -3.007 528 HA ILE 67 HA ILE 67 -1.978 9.197 -0.307 529 HB ILE 67 HB ILE 67 0.469 8.467 -1.897 530 1HG1 ILE 67 2HG1 ILE 67 -0.361 6.156 -1.228 531 2HG1 ILE 67 1HG1 ILE 67 -1.803 6.954 -0.611 532 1HG2 ILE 67 1HG2 ILE 67 1.635 8.575 0.035 533 2HG2 ILE 67 2HG2 ILE 67 0.835 7.036 0.355 534 3HG2 ILE 67 3HG2 ILE 67 0.186 8.526 1.039 535 1HD1 ILE 67 1HD1 ILE 67 -0.829 7.033 -3.455 536 2HD1 ILE 67 2HD1 ILE 67 -2.285 7.814 -2.837 537 3HD1 ILE 67 3HD1 ILE 67 -2.159 6.055 -2.837 538 H LYS 68 H LYS 68 0.701 11.026 -1.794 539 HA LYS 68 HA LYS 68 1.555 12.099 0.727 540 1HB LYS 68 2HB LYS 68 2.259 12.930 -2.096 541 2HB LYS 68 1HB LYS 68 3.068 13.494 -0.641 542 1HG LYS 68 2HG LYS 68 2.972 10.594 -0.821 543 2HG LYS 68 1HG LYS 68 3.807 11.342 -2.183 544 1HD LYS 68 2HD LYS 68 4.399 12.005 0.697 545 2HD LYS 68 1HD LYS 68 5.261 10.761 -0.213 546 1HE LYS 68 2HE LYS 68 6.659 12.486 -0.652 547 2HE LYS 68 1HE LYS 68 5.492 12.791 -1.939 548 1HZ LYS 68 1HZ LYS 68 4.705 14.624 -0.915 549 2HZ LYS 68 2HZ LYS 68 6.242 14.642 -0.210 550 3HZ LYS 68 3HZ LYS 68 4.928 14.008 0.646 551 H GLU 69 H GLU 69 -0.966 12.827 -1.391 552 HA GLU 69 HA GLU 69 -1.051 15.662 -1.022 553 1HB GLU 69 2HB GLU 69 -2.094 14.365 -2.935 554 2HB GLU 69 1HB GLU 69 -3.345 13.876 -1.803 555 1HG GLU 69 2HG GLU 69 -3.340 16.566 -1.453 556 2HG GLU 69 1HG GLU 69 -2.925 16.433 -3.162 557 H ASN 70 H ASN 70 -2.858 12.919 0.310 558 HA ASN 70 HA ASN 70 -3.751 14.660 2.509 559 1HB ASN 70 2HB ASN 70 -5.088 12.071 1.760 560 2HB ASN 70 1HB ASN 70 -5.747 13.427 2.670 561 1HD2 ASN 70 1HD2 ASN 70 -4.545 12.530 -0.531 562 2HD2 ASN 70 2HD2 ASN 70 -5.596 13.576 -1.415 563 H SER 71 H SER 71 -1.282 12.862 2.070 564 HA SER 71 HA SER 71 -1.145 11.924 4.772 565 1HB SER 71 2HB SER 71 -1.879 10.069 2.652 566 2HB SER 71 1HB SER 71 -0.397 9.575 3.468 567 HG SER 71 HG SER 71 -2.823 10.252 4.780 568 HA PRO 72 HA PRO 72 2.848 13.070 2.653 569 1HB PRO 72 2HB PRO 72 3.154 15.120 4.682 570 2HB PRO 72 1HB PRO 72 3.064 15.305 2.930 571 1HG PRO 72 2HG PRO 72 1.110 16.146 4.637 572 2HG PRO 72 1HG PRO 72 0.808 15.671 2.957 573 1HD PRO 72 2HD PRO 72 0.367 14.121 5.479 574 2HD PRO 72 1HD PRO 72 -0.638 14.207 4.015 575 H ASP 73 H ASP 73 1.815 12.290 5.799 576 HA ASP 73 HA ASP 73 4.559 11.594 6.605 577 1HB ASP 73 2HB ASP 73 3.364 13.229 8.068 578 2HB ASP 73 1HB ASP 73 2.165 11.985 8.405 579 H SER 74 H SER 74 2.895 9.994 4.872 580 HA SER 74 HA SER 74 2.364 7.670 6.599 581 1HB SER 74 2HB SER 74 0.401 8.515 5.347 582 2HB SER 74 1HB SER 74 1.269 8.244 3.837 583 HG SER 74 HG SER 74 -0.068 6.483 4.287 584 H VAL 75 H VAL 75 2.266 5.794 4.463 585 HA VAL 75 HA VAL 75 4.991 5.857 3.379 586 HB VAL 75 HB VAL 75 3.893 3.430 4.799 587 1HG1 VAL 75 1HG1 VAL 75 6.052 3.855 2.916 588 2HG1 VAL 75 2HG1 VAL 75 5.400 2.347 3.558 589 3HG1 VAL 75 3HG1 VAL 75 6.650 3.219 4.447 590 1HG2 VAL 75 1HG2 VAL 75 4.508 4.563 6.643 591 2HG2 VAL 75 2HG2 VAL 75 5.475 5.724 5.732 592 3HG2 VAL 75 3HG2 VAL 75 6.146 4.145 6.142 593 H VAL 76 H VAL 76 5.268 4.975 1.455 594 HA VAL 76 HA VAL 76 2.903 3.771 0.162 595 HB VAL 76 HB VAL 76 5.141 5.136 -1.311 596 1HG1 VAL 76 1HG1 VAL 76 3.948 3.887 -2.841 597 2HG1 VAL 76 2HG1 VAL 76 3.131 5.448 -2.929 598 3HG1 VAL 76 3HG1 VAL 76 2.416 4.131 -2.001 599 1HG2 VAL 76 1HG2 VAL 76 2.564 6.378 -0.355 600 2HG2 VAL 76 2HG2 VAL 76 3.746 7.141 -1.419 601 3HG2 VAL 76 3HG2 VAL 76 4.177 6.753 0.247 602 H ILE 77 H ILE 77 3.250 1.617 0.351 603 HA ILE 77 HA ILE 77 5.856 0.555 -0.489 604 HB ILE 77 HB ILE 77 3.627 -0.944 0.888 605 1HG1 ILE 77 2HG1 ILE 77 4.419 0.841 2.348 606 2HG1 ILE 77 1HG1 ILE 77 4.987 -0.716 2.941 607 1HG2 ILE 77 1HG2 ILE 77 4.879 -2.649 0.106 608 2HG2 ILE 77 2HG2 ILE 77 5.903 -2.258 1.487 609 3HG2 ILE 77 3HG2 ILE 77 6.308 -1.641 -0.114 610 1HD1 ILE 77 1HD1 ILE 77 7.042 0.091 1.322 611 2HD1 ILE 77 2HD1 ILE 77 6.978 0.266 3.075 612 3HD1 ILE 77 3HD1 ILE 77 6.486 1.604 2.037 613 H VAL 78 H VAL 78 4.253 1.525 -2.508 614 HA VAL 78 HA VAL 78 2.477 -0.224 -3.736 615 HB VAL 78 HB VAL 78 4.442 1.679 -5.034 616 1HG1 VAL 78 1HG1 VAL 78 2.045 0.238 -6.160 617 2HG1 VAL 78 2HG1 VAL 78 3.716 0.163 -6.720 618 3HG1 VAL 78 3HG1 VAL 78 2.783 1.646 -6.925 619 1HG2 VAL 78 1HG2 VAL 78 1.583 2.346 -4.883 620 2HG2 VAL 78 2HG2 VAL 78 3.004 3.361 -4.635 621 3HG2 VAL 78 3HG2 VAL 78 2.430 2.312 -3.337 622 H ILE 79 H ILE 79 3.236 -2.353 -3.461 623 HA ILE 79 HA ILE 79 5.751 -3.253 -4.372 624 HB ILE 79 HB ILE 79 3.274 -4.934 -4.049 625 1HG1 ILE 79 2HG1 ILE 79 5.309 -4.068 -1.986 626 2HG1 ILE 79 1HG1 ILE 79 3.605 -3.634 -2.022 627 1HG2 ILE 79 1HG2 ILE 79 5.543 -6.324 -3.224 628 2HG2 ILE 79 2HG2 ILE 79 6.030 -5.491 -4.701 629 3HG2 ILE 79 3HG2 ILE 79 4.632 -6.566 -4.714 630 1HD1 ILE 79 1HD1 ILE 79 3.455 -5.307 -0.532 631 2HD1 ILE 79 2HD1 ILE 79 4.912 -6.109 -1.118 632 3HD1 ILE 79 3HD1 ILE 79 3.389 -6.304 -1.985 633 H THR 80 H THR 80 3.161 -5.050 -5.727 634 HA THR 80 HA THR 80 2.475 -5.477 -7.850 635 HB THR 80 HB THR 80 2.316 -3.766 -9.382 636 HG1 THR 80 1HG THR 80 4.376 -3.414 -9.975 637 1HG2 THR 80 1HG2 THR 80 1.999 -2.924 -6.801 638 2HG2 THR 80 2HG2 THR 80 1.532 -2.029 -8.244 639 3HG2 THR 80 3HG2 THR 80 3.085 -1.710 -7.477 640 H GLY 81 H GLY 81 5.721 -3.996 -8.155 641 1HA GLY 81 2HA GLY 81 7.649 -4.793 -9.110 642 2HA GLY 81 1HA GLY 81 7.107 -6.380 -8.585 643 H HIS 82 H HIS 82 5.925 -7.692 -10.025 644 HA HIS 82 HA HIS 82 5.451 -8.623 -12.043 645 1HB HIS 82 2HB HIS 82 4.569 -5.889 -12.205 646 2HB HIS 82 1HB HIS 82 5.163 -6.409 -13.778 647 HD1 HIS 82 1HD HIS 82 2.100 -5.921 -12.689 648 HD2 HIS 82 2HD HIS 82 3.975 -9.505 -13.642 649 HE1 HIS 82 1HE HIS 82 0.243 -7.533 -13.217 650 HE2 HIS 82 2HE HIS 82 1.404 -9.669 -13.877 651 H GLY 83 H GLY 83 8.223 -7.930 -11.334 652 1HA GLY 83 2HA GLY 83 10.256 -8.322 -12.357 653 2HA GLY 83 1HA GLY 83 9.406 -8.508 -13.883 654 H SER 84 H SER 84 8.384 -6.275 -14.604 655 HA SER 84 HA SER 84 10.492 -4.615 -15.339 656 1HB SER 84 2HB SER 84 7.946 -4.843 -16.160 657 2HB SER 84 1HB SER 84 7.790 -3.390 -15.173 658 HG SER 84 HG SER 84 9.241 -2.355 -16.456 659 H VAL 85 H VAL 85 11.426 -2.836 -14.492 660 HA VAL 85 HA VAL 85 10.514 -2.001 -11.824 661 HB VAL 85 HB VAL 85 12.799 -1.108 -11.506 662 1HG1 VAL 85 1HG1 VAL 85 12.315 -3.997 -12.078 663 2HG1 VAL 85 2HG1 VAL 85 12.588 -3.185 -10.536 664 3HG1 VAL 85 3HG1 VAL 85 13.935 -3.455 -11.641 665 1HG2 VAL 85 1HG2 VAL 85 14.549 -1.511 -13.058 666 2HG2 VAL 85 2HG2 VAL 85 13.221 -0.796 -13.971 667 3HG2 VAL 85 3HG2 VAL 85 13.517 -2.532 -14.060 668 H ASP 86 H ASP 86 10.508 -0.988 -15.015 669 HA ASP 86 HA ASP 86 11.106 1.751 -14.781 670 1HB ASP 86 2HB ASP 86 10.961 0.570 -16.942 671 2HB ASP 86 1HB ASP 86 9.222 0.397 -16.722 672 H THR 87 H THR 87 8.272 -0.088 -13.955 673 HA THR 87 HA THR 87 6.536 2.202 -13.811 674 HB THR 87 HB THR 87 5.937 -0.348 -14.136 675 HG1 THR 87 1HG THR 87 3.900 0.216 -13.689 676 1HG2 THR 87 1HG2 THR 87 6.871 -0.784 -11.722 677 2HG2 THR 87 2HG2 THR 87 5.436 -1.622 -12.315 678 3HG2 THR 87 3HG2 THR 87 5.266 -0.230 -11.246 679 H ALA 88 H ALA 88 8.577 0.391 -11.634 680 HA ALA 88 HA ALA 88 7.666 1.407 -9.183 681 1HB ALA 88 1HB ALA 88 9.749 0.677 -8.272 682 2HB ALA 88 2HB ALA 88 10.521 0.713 -9.856 683 3HB ALA 88 3HB ALA 88 9.279 -0.489 -9.508 684 H VAL 89 H VAL 89 10.435 2.433 -11.149 685 HA VAL 89 HA VAL 89 11.087 4.721 -9.706 686 HB VAL 89 HB VAL 89 12.301 5.481 -11.669 687 1HG1 VAL 89 1HG1 VAL 89 12.408 2.553 -11.044 688 2HG1 VAL 89 2HG1 VAL 89 13.506 3.839 -10.543 689 3HG1 VAL 89 3HG1 VAL 89 13.511 3.276 -12.214 690 1HG2 VAL 89 1HG2 VAL 89 11.660 5.075 -13.761 691 2HG2 VAL 89 2HG2 VAL 89 10.235 4.268 -13.106 692 3HG2 VAL 89 3HG2 VAL 89 11.678 3.332 -13.490 693 H LYS 90 H LYS 90 8.471 4.131 -11.887 694 HA LYS 90 HA LYS 90 7.948 6.907 -12.456 695 1HB LYS 90 2HB LYS 90 7.346 5.209 -14.089 696 2HB LYS 90 1HB LYS 90 6.299 4.418 -12.920 697 1HG LYS 90 2HG LYS 90 4.744 6.192 -12.969 698 2HG LYS 90 1HG LYS 90 5.862 7.245 -13.837 699 1HD LYS 90 2HD LYS 90 5.027 4.653 -15.065 700 2HD LYS 90 1HD LYS 90 3.925 6.031 -15.112 701 1HE LYS 90 2HE LYS 90 5.024 6.577 -16.991 702 2HE LYS 90 1HE LYS 90 6.265 7.181 -15.894 703 1HZ LYS 90 1HZ LYS 90 6.746 5.416 -17.814 704 2HZ LYS 90 2HZ LYS 90 6.402 4.351 -16.544 705 3HZ LYS 90 3HZ LYS 90 7.645 5.487 -16.380 706 H ALA 91 H ALA 91 7.684 5.255 -9.665 707 HA ALA 91 HA ALA 91 5.461 6.934 -8.760 708 1HB ALA 91 1HB ALA 91 4.957 4.791 -7.256 709 2HB ALA 91 2HB ALA 91 5.607 3.979 -8.681 710 3HB ALA 91 3HB ALA 91 4.210 5.045 -8.834 711 H ILE 92 H ILE 92 8.218 4.894 -7.856 712 HA ILE 92 HA ILE 92 8.274 5.762 -5.153 713 HB ILE 92 HB ILE 92 10.151 4.461 -4.844 714 1HG1 ILE 92 2HG1 ILE 92 10.832 4.922 -7.758 715 2HG1 ILE 92 1HG1 ILE 92 11.689 5.556 -6.357 716 1HG2 ILE 92 1HG2 ILE 92 9.505 2.908 -7.235 717 2HG2 ILE 92 2HG2 ILE 92 8.092 3.403 -6.305 718 3HG2 ILE 92 3HG2 ILE 92 9.376 2.475 -5.531 719 1HD1 ILE 92 1HD1 ILE 92 12.874 3.692 -7.403 720 2HD1 ILE 92 2HD1 ILE 92 11.484 2.647 -7.105 721 3HD1 ILE 92 3HD1 ILE 92 12.391 3.317 -5.749 722 H LYS 93 H LYS 93 9.511 7.102 -8.092 723 HA LYS 93 HA LYS 93 11.518 8.745 -6.902 724 1HB LYS 93 2HB LYS 93 10.290 8.446 -9.568 725 2HB LYS 93 1HB LYS 93 10.889 10.058 -9.200 726 1HG LYS 93 2HG LYS 93 12.579 7.607 -8.832 727 2HG LYS 93 1HG LYS 93 12.482 8.469 -10.369 728 1HD LYS 93 2HD LYS 93 13.818 10.110 -9.644 729 2HD LYS 93 1HD LYS 93 12.951 10.247 -8.113 730 1HE LYS 93 2HE LYS 93 15.283 9.618 -7.758 731 2HE LYS 93 1HE LYS 93 14.188 8.340 -7.231 732 1HZ LYS 93 1HZ LYS 93 16.311 7.995 -8.862 733 2HZ LYS 93 2HZ LYS 93 15.036 8.082 -9.969 734 3HZ LYS 93 3HZ LYS 93 15.004 6.928 -8.733 735 H LYS 94 H LYS 94 8.104 9.123 -7.626 736 HA LYS 94 HA LYS 94 7.872 11.887 -7.250 737 1HB LYS 94 2HB LYS 94 5.827 9.755 -6.606 738 2HB LYS 94 1HB LYS 94 5.497 11.465 -6.849 739 1HG LYS 94 2HG LYS 94 6.879 10.585 -9.136 740 2HG LYS 94 1HG LYS 94 5.661 9.361 -8.776 741 1HD LYS 94 2HD LYS 94 4.274 10.718 -9.911 742 2HD LYS 94 1HD LYS 94 4.242 11.655 -8.415 743 1HE LYS 94 2HE LYS 94 6.388 12.161 -10.428 744 2HE LYS 94 1HE LYS 94 4.774 12.819 -10.696 745 1HZ LYS 94 1HZ LYS 94 6.562 13.343 -8.388 746 2HZ LYS 94 2HZ LYS 94 4.944 13.833 -8.448 747 3HZ LYS 94 3HZ LYS 94 6.055 14.449 -9.565 748 H GLY 95 H GLY 95 7.127 9.290 -4.911 749 1HA GLY 95 2HA GLY 95 8.464 10.461 -2.751 750 2HA GLY 95 1HA GLY 95 6.802 11.025 -2.713 751 H ALA 96 H ALA 96 7.732 7.829 -3.854 752 HA ALA 96 HA ALA 96 6.077 6.667 -1.763 753 1HB ALA 96 1HB ALA 96 5.620 5.040 -3.223 754 2HB ALA 96 2HB ALA 96 7.325 4.772 -3.581 755 3HB ALA 96 3HB ALA 96 6.436 6.039 -4.425 756 H TYR 97 H TYR 97 7.030 4.317 -1.135 757 HA TYR 97 HA TYR 97 9.596 4.919 0.149 758 1HB TYR 97 2HB TYR 97 7.516 4.237 1.470 759 2HB TYR 97 1HB TYR 97 7.769 2.623 0.813 760 HD1 TYR 97 1HD TYR 97 8.911 1.142 2.148 761 HD2 TYR 97 2HD TYR 97 9.779 5.291 2.499 762 HE1 TYR 97 1HE TYR 97 10.501 0.649 3.958 763 HE2 TYR 97 2HE TYR 97 11.373 4.810 4.309 764 HH TYR 97 HH TYR 97 11.479 1.945 5.954 765 H GLU 98 H GLU 98 9.310 4.026 -2.628 766 HA GLU 98 HA GLU 98 10.594 2.778 -4.042 767 1HB GLU 98 2HB GLU 98 12.533 1.908 -3.294 768 2HB GLU 98 1HB GLU 98 12.086 2.672 -1.779 769 1HG GLU 98 2HG GLU 98 10.881 0.352 -1.377 770 2HG GLU 98 1HG GLU 98 12.088 -0.198 -2.537 771 H PHE 99 H PHE 99 10.468 0.758 -5.102 772 HA PHE 99 HA PHE 99 8.012 -0.617 -4.610 773 1HB PHE 99 2HB PHE 99 9.987 -0.456 -6.733 774 2HB PHE 99 1HB PHE 99 9.452 -2.111 -6.478 775 HD1 PHE 99 1HD PHE 99 8.163 -2.498 -8.385 776 HD2 PHE 99 2HD PHE 99 7.458 0.982 -6.038 777 HE1 PHE 99 1HE PHE 99 6.125 -2.040 -9.685 778 HE2 PHE 99 2HE PHE 99 5.417 1.445 -7.334 779 HZ PHE 99 HZ PHE 99 4.748 -0.067 -9.158 780 H LEU 100 H LEU 100 7.659 -2.629 -3.795 781 HA LEU 100 HA LEU 100 9.765 -3.771 -2.185 782 1HB LEU 100 2HB LEU 100 7.249 -3.485 -1.600 783 2HB LEU 100 1HB LEU 100 7.028 -4.948 -2.538 784 HG LEU 100 HG LEU 100 7.161 -5.654 -0.302 785 1HD1 LEU 100 1HD1 LEU 100 8.529 -6.972 -1.859 786 2HD1 LEU 100 2HD1 LEU 100 9.165 -7.002 -0.215 787 3HD1 LEU 100 3HD1 LEU 100 9.930 -5.987 -1.437 788 1HD2 LEU 100 1HD2 LEU 100 9.258 -3.563 -0.091 789 2HD2 LEU 100 2HD2 LEU 100 9.381 -4.969 0.966 790 3HD2 LEU 100 3HD2 LEU 100 7.937 -3.958 1.008 791 H GLU 101 H GLU 101 11.227 -4.660 -3.626 792 HA GLU 101 HA GLU 101 10.570 -6.272 -5.831 793 1HB GLU 101 2HB GLU 101 13.101 -6.371 -4.183 794 2HB GLU 101 1HB GLU 101 12.906 -6.932 -5.838 795 1HG GLU 101 2HG GLU 101 12.592 -4.074 -4.951 796 2HG GLU 101 1HG GLU 101 14.058 -4.757 -5.654 797 H LYS 102 H LYS 102 10.803 -8.550 -6.115 798 HA LYS 102 HA LYS 102 10.371 -10.721 -5.606 799 1HB LYS 102 2HB LYS 102 12.352 -9.879 -3.838 800 2HB LYS 102 1HB LYS 102 11.180 -10.694 -2.812 801 1HG LYS 102 2HG LYS 102 12.064 -12.629 -3.412 802 2HG LYS 102 1HG LYS 102 11.518 -12.335 -5.064 803 1HD LYS 102 2HD LYS 102 13.653 -10.978 -5.358 804 2HD LYS 102 1HD LYS 102 14.190 -11.698 -3.838 805 1HE LYS 102 2HE LYS 102 13.288 -13.295 -6.229 806 2HE LYS 102 1HE LYS 102 14.971 -12.884 -5.903 807 1HZ LYS 102 1HZ LYS 102 14.833 -14.920 -4.920 808 2HZ LYS 102 2HZ LYS 102 13.205 -14.749 -4.493 809 3HZ LYS 102 3HZ LYS 102 14.402 -13.954 -3.600 810 HA PRO 103 HA PRO 103 6.548 -9.558 -3.250 811 1HB PRO 103 2HB PRO 103 4.758 -9.962 -5.206 812 2HB PRO 103 1HB PRO 103 5.686 -8.460 -5.097 813 1HG PRO 103 2HG PRO 103 6.128 -10.835 -6.862 814 2HG PRO 103 1HG PRO 103 6.235 -9.111 -7.259 815 1HD PRO 103 2HD PRO 103 8.406 -10.701 -6.708 816 2HD PRO 103 1HD PRO 103 8.376 -8.942 -6.472 817 H PHE 104 H PHE 104 7.785 -11.870 -2.704 818 HA PHE 104 HA PHE 104 5.945 -14.039 -3.423 819 1HB PHE 104 2HB PHE 104 8.759 -13.981 -2.372 820 2HB PHE 104 1HB PHE 104 7.778 -15.434 -2.221 821 HD1 PHE 104 1HD PHE 104 8.317 -12.922 -4.931 822 HD2 PHE 104 2HD PHE 104 8.365 -17.015 -3.767 823 HE1 PHE 104 1HE PHE 104 8.922 -13.564 -7.228 824 HE2 PHE 104 2HE PHE 104 8.971 -17.664 -6.061 825 HZ PHE 104 HZ PHE 104 9.251 -15.938 -7.796 826 H SER 105 H SER 105 4.253 -14.093 -2.077 827 HA SER 105 HA SER 105 3.012 -14.203 -0.173 828 1HB SER 105 2HB SER 105 4.345 -16.203 0.240 829 2HB SER 105 1HB SER 105 5.622 -15.230 0.967 830 HG SER 105 HG SER 105 4.104 -14.626 2.587 831 H VAL 106 H VAL 106 4.627 -11.760 -0.786 832 HA VAL 106 HA VAL 106 5.353 -9.811 0.171 833 HB VAL 106 HB VAL 106 3.664 -8.650 1.303 834 1HG1 VAL 106 1HG1 VAL 106 2.069 -10.782 -0.083 835 2HG1 VAL 106 2HG1 VAL 106 3.062 -9.620 -0.963 836 3HG1 VAL 106 3HG1 VAL 106 1.725 -9.057 0.042 837 1HG2 VAL 106 1HG2 VAL 106 1.800 -10.649 2.129 838 2HG2 VAL 106 2HG2 VAL 106 2.632 -9.436 3.102 839 3HG2 VAL 106 3HG2 VAL 106 3.375 -11.007 2.831 840 H GLU 107 H GLU 107 6.688 -12.058 1.365 841 HA GLU 107 HA GLU 107 6.707 -11.778 4.199 842 1HB GLU 107 2HB GLU 107 7.582 -13.689 2.534 843 2HB GLU 107 1HB GLU 107 9.094 -12.837 2.807 844 1HG GLU 107 2HG GLU 107 8.761 -13.108 5.237 845 2HG GLU 107 1HG GLU 107 7.312 -14.054 4.900 846 H ARG 108 H ARG 108 8.900 -10.751 1.597 847 HA ARG 108 HA ARG 108 10.678 -9.303 3.235 848 1HB ARG 108 2HB ARG 108 11.066 -10.015 0.837 849 2HB ARG 108 1HB ARG 108 10.016 -8.693 0.348 850 1HG ARG 108 2HG ARG 108 12.028 -7.665 0.148 851 2HG ARG 108 1HG ARG 108 11.687 -7.289 1.838 852 1HD ARG 108 2HD ARG 108 13.059 -9.139 2.568 853 2HD ARG 108 1HD ARG 108 13.318 -9.645 0.899 854 HE ARG 108 HE ARG 108 14.256 -7.110 0.924 855 1HH1 ARG 108 1HH1 ARG 108 14.878 -9.902 2.922 856 2HH1 ARG 108 2HH1 ARG 108 16.506 -9.437 3.282 857 1HH2 ARG 108 1HH2 ARG 108 16.398 -6.497 1.397 858 2HH2 ARG 108 2HH2 ARG 108 17.369 -7.505 2.416 859 H PHE 109 H PHE 109 7.576 -8.588 1.845 860 HA PHE 109 HA PHE 109 7.571 -5.785 2.081 861 1HB PHE 109 2HB PHE 109 5.833 -6.694 0.781 862 2HB PHE 109 1HB PHE 109 5.424 -7.894 2.000 863 HD1 PHE 109 1HD PHE 109 5.442 -4.207 1.472 864 HD2 PHE 109 2HD PHE 109 3.581 -7.547 3.340 865 HE1 PHE 109 1HE PHE 109 3.652 -2.739 2.302 866 HE2 PHE 109 2HE PHE 109 1.787 -6.084 4.174 867 HZ PHE 109 HZ PHE 109 1.822 -3.678 3.656 868 H LEU 110 H LEU 110 6.741 -8.387 4.309 869 HA LEU 110 HA LEU 110 5.642 -6.946 6.400 870 1HB LEU 110 2HB LEU 110 6.724 -9.552 5.976 871 2HB LEU 110 1HB LEU 110 7.217 -8.952 7.546 872 HG LEU 110 HG LEU 110 4.400 -9.292 6.536 873 1HD1 LEU 110 1HD1 LEU 110 4.484 -10.647 8.807 874 2HD1 LEU 110 2HD1 LEU 110 6.190 -10.762 8.378 875 3HD1 LEU 110 3HD1 LEU 110 4.958 -11.363 7.268 876 1HD2 LEU 110 1HD2 LEU 110 4.187 -7.369 7.800 877 2HD2 LEU 110 2HD2 LEU 110 5.488 -7.823 8.901 878 3HD2 LEU 110 3HD2 LEU 110 3.923 -8.630 9.005 879 H LEU 111 H LEU 111 9.055 -7.759 5.841 880 HA LEU 111 HA LEU 111 10.105 -6.540 8.126 881 1HB LEU 111 2HB LEU 111 11.317 -7.041 5.419 882 2HB LEU 111 1HB LEU 111 12.232 -6.418 6.778 883 HG LEU 111 HG LEU 111 11.383 -8.547 8.012 884 1HD1 LEU 111 1HD1 LEU 111 10.565 -9.023 5.226 885 2HD1 LEU 111 2HD1 LEU 111 9.938 -9.701 6.729 886 3HD1 LEU 111 3HD1 LEU 111 11.411 -10.356 6.012 887 1HD2 LEU 111 1HD2 LEU 111 13.718 -7.869 6.865 888 2HD2 LEU 111 2HD2 LEU 111 13.328 -9.313 5.930 889 3HD2 LEU 111 3HD2 LEU 111 13.445 -9.405 7.687 890 H THR 112 H THR 112 9.771 -5.241 4.828 891 HA THR 112 HA THR 112 10.825 -2.697 5.376 892 HB THR 112 HB THR 112 8.807 -3.560 3.294 893 HG1 THR 112 1HG THR 112 11.595 -3.128 3.050 894 1HG2 THR 112 1HG2 THR 112 9.233 -1.617 2.066 895 2HG2 THR 112 2HG2 THR 112 10.576 -1.150 3.109 896 3HG2 THR 112 3HG2 THR 112 8.920 -1.065 3.711 897 H ILE 113 H ILE 113 7.579 -4.008 5.644 898 HA ILE 113 HA ILE 113 6.127 -1.673 6.026 899 HB ILE 113 HB ILE 113 5.747 -4.519 6.769 900 1HG1 ILE 113 2HG1 ILE 113 5.012 -3.644 4.608 901 2HG1 ILE 113 1HG1 ILE 113 3.633 -4.180 5.563 902 1HG2 ILE 113 1HG2 ILE 113 4.314 -2.271 8.138 903 2HG2 ILE 113 2HG2 ILE 113 5.034 -3.720 8.838 904 3HG2 ILE 113 3HG2 ILE 113 3.547 -3.841 7.897 905 1HD1 ILE 113 1HD1 ILE 113 4.489 -1.395 4.900 906 2HD1 ILE 113 2HD1 ILE 113 3.422 -1.725 6.264 907 3HD1 ILE 113 3HD1 ILE 113 2.932 -2.177 4.631 908 H LYS 114 H LYS 114 7.597 -3.751 8.531 909 HA LYS 114 HA LYS 114 6.887 -2.324 10.767 910 1HB LYS 114 2HB LYS 114 8.200 -4.513 10.602 911 2HB LYS 114 1HB LYS 114 9.632 -3.506 10.437 912 1HG LYS 114 2HG LYS 114 7.764 -3.117 12.737 913 2HG LYS 114 1HG LYS 114 8.972 -4.402 12.766 914 1HD LYS 114 2HD LYS 114 10.584 -2.954 13.275 915 2HD LYS 114 1HD LYS 114 10.168 -1.935 11.896 916 1HE LYS 114 2HE LYS 114 9.998 -0.684 13.976 917 2HE LYS 114 1HE LYS 114 8.415 -0.860 13.221 918 1HZ LYS 114 1HZ LYS 114 7.846 -1.479 15.295 919 2HZ LYS 114 2HZ LYS 114 9.412 -1.958 15.720 920 3HZ LYS 114 3HZ LYS 114 8.431 -2.987 14.805 921 H HIS 115 H HIS 115 9.958 -1.991 9.004 922 HA HIS 115 HA HIS 115 10.843 0.304 10.312 923 1HB HIS 115 2HB HIS 115 12.233 -1.163 8.856 924 2HB HIS 115 1HB HIS 115 11.421 -0.478 7.452 925 HD1 HIS 115 1HD HIS 115 12.819 1.361 10.467 926 HD2 HIS 115 2HD HIS 115 13.373 1.065 6.359 927 HE1 HIS 115 1HE HIS 115 14.517 3.123 9.889 928 HE2 HIS 115 2HE HIS 115 14.912 2.856 7.416 929 H ALA 116 H ALA 116 8.492 -0.087 7.781 930 HA ALA 116 HA ALA 116 8.537 2.551 6.761 931 1HB ALA 116 1HB ALA 116 5.920 1.586 6.492 932 2HB ALA 116 2HB ALA 116 6.968 0.171 6.397 933 3HB ALA 116 3HB ALA 116 7.216 1.527 5.298 934 H PHE 117 H PHE 117 6.794 1.028 9.419 935 HA PHE 117 HA PHE 117 5.094 3.223 9.980 936 1HB PHE 117 2HB PHE 117 5.880 0.716 11.392 937 2HB PHE 117 1HB PHE 117 5.077 1.980 12.318 938 HD1 PHE 117 1HD PHE 117 2.798 2.657 11.774 939 HD2 PHE 117 2HD PHE 117 4.703 -0.560 9.743 940 HE1 PHE 117 1HE PHE 117 0.613 1.900 10.936 941 HE2 PHE 117 2HE PHE 117 2.520 -1.324 8.902 942 HZ PHE 117 HZ PHE 117 0.471 -0.087 9.496 943 H GLU 118 H GLU 118 8.413 2.626 10.660 944 HA GLU 118 HA GLU 118 8.783 4.029 13.036 945 1HB GLU 118 2HB GLU 118 10.590 3.653 10.660 946 2HB GLU 118 1HB GLU 118 11.110 4.468 12.127 947 1HG GLU 118 2HG GLU 118 9.880 1.924 12.715 948 2HG GLU 118 1HG GLU 118 11.226 1.751 11.590 949 H GLU 119 H GLU 119 7.992 5.198 9.894 950 HA GLU 119 HA GLU 119 8.800 7.926 10.553 951 1HB GLU 119 2HB GLU 119 7.445 7.016 8.020 952 2HB GLU 119 1HB GLU 119 8.400 8.469 8.275 953 1HG GLU 119 2HG GLU 119 10.418 7.231 8.385 954 2HG GLU 119 1HG GLU 119 9.548 5.699 8.462 955 H TYR 120 H TYR 120 6.603 6.569 11.972 956 HA TYR 120 HA TYR 120 4.377 8.334 11.190 957 1HB TYR 120 2HB TYR 120 3.925 5.876 11.022 958 2HB TYR 120 1HB TYR 120 4.189 5.756 12.759 959 HD1 TYR 120 1HD TYR 120 2.259 5.601 13.999 960 HD2 TYR 120 2HD TYR 120 2.220 7.962 10.460 961 HE1 TYR 120 1HE TYR 120 -0.105 6.146 14.397 962 HE2 TYR 120 2HE TYR 120 -0.145 8.515 10.848 963 HH TYR 120 HH TYR 120 -1.739 8.602 12.686 964 H SER 121 H SER 121 6.683 8.954 12.924 965 HA SER 121 HA SER 121 5.493 9.135 15.579 966 1HB SER 121 2HB SER 121 8.055 8.681 14.823 967 2HB SER 121 1HB SER 121 8.104 10.428 15.062 968 HG SER 121 HG SER 121 7.506 8.398 16.921 Start of MODEL 29 1 1H MET 1 1HT MET 1 0.078 -2.677 16.613 2 2H MET 1 2HT MET 1 -0.228 -2.062 18.186 3 3H MET 1 3HT MET 1 0.896 -1.272 17.157 4 HA MET 1 HA MET 1 -1.959 -1.589 16.536 5 1HB MET 1 2HB MET 1 -2.125 0.795 17.247 6 2HB MET 1 1HB MET 1 -1.768 -0.306 18.571 7 1HG MET 1 2HG MET 1 0.516 0.361 18.612 8 2HG MET 1 1HG MET 1 0.331 1.283 17.121 9 1HE MET 1 1HE MET 1 -1.620 1.282 20.796 10 2HE MET 1 2HE MET 1 -0.523 2.538 21.368 11 3HE MET 1 3HE MET 1 0.123 1.013 20.762 12 H LYS 2 H LYS 2 -0.487 -2.206 14.524 13 HA LYS 2 HA LYS 2 0.083 0.266 13.032 14 1HB LYS 2 2HB LYS 2 1.267 -2.478 12.893 15 2HB LYS 2 1HB LYS 2 1.347 -1.401 11.504 16 1HG LYS 2 2HG LYS 2 3.349 -0.982 12.551 17 2HG LYS 2 1HG LYS 2 2.324 0.298 13.203 18 1HD LYS 2 2HD LYS 2 2.476 -0.497 15.286 19 2HD LYS 2 1HD LYS 2 2.203 -2.159 14.761 20 1HE LYS 2 2HE LYS 2 4.479 -2.508 14.311 21 2HE LYS 2 1HE LYS 2 4.833 -0.780 14.327 22 1HZ LYS 2 1HZ LYS 2 3.998 -2.348 16.706 23 2HZ LYS 2 2HZ LYS 2 4.479 -0.726 16.685 24 3HZ LYS 2 3HZ LYS 2 5.598 -1.945 16.336 25 H ARG 3 H ARG 3 -1.355 0.806 11.548 26 HA ARG 3 HA ARG 3 -3.022 -1.312 10.357 27 1HB ARG 3 2HB ARG 3 -3.641 1.640 10.587 28 2HB ARG 3 1HB ARG 3 -4.717 0.393 9.973 29 1HG ARG 3 2HG ARG 3 -5.529 0.584 12.083 30 2HG ARG 3 1HG ARG 3 -4.297 -0.648 12.364 31 1HD ARG 3 2HD ARG 3 -2.731 1.305 12.890 32 2HD ARG 3 1HD ARG 3 -4.191 2.289 12.983 33 HE ARG 3 HE ARG 3 -3.273 0.360 14.904 34 1HH1 ARG 3 1HH1 ARG 3 -6.068 2.030 13.647 35 2HH1 ARG 3 2HH1 ARG 3 -6.988 1.846 15.103 36 1HH2 ARG 3 1HH2 ARG 3 -4.482 0.116 16.818 37 2HH2 ARG 3 2HH2 ARG 3 -6.088 0.759 16.903 38 H VAL 4 H VAL 4 -2.731 -1.726 8.259 39 HA VAL 4 HA VAL 4 -1.495 0.360 6.579 40 HB VAL 4 HB VAL 4 -1.046 -2.611 6.291 41 1HG1 VAL 4 1HG1 VAL 4 0.955 -1.550 4.936 42 2HG1 VAL 4 2HG1 VAL 4 -0.171 -0.202 4.785 43 3HG1 VAL 4 3HG1 VAL 4 -0.626 -1.800 4.197 44 1HG2 VAL 4 1HG2 VAL 4 0.823 -0.530 7.424 45 2HG2 VAL 4 2HG2 VAL 4 1.176 -2.242 7.196 46 3HG2 VAL 4 3HG2 VAL 4 -0.044 -1.742 8.367 47 H LEU 5 H LEU 5 -2.249 0.582 4.486 48 HA LEU 5 HA LEU 5 -4.834 -0.677 3.970 49 1HB LEU 5 2HB LEU 5 -4.642 1.787 3.821 50 2HB LEU 5 1HB LEU 5 -3.473 1.602 2.528 51 HG LEU 5 HG LEU 5 -5.200 0.541 1.124 52 1HD1 LEU 5 1HD1 LEU 5 -7.348 0.137 1.789 53 2HD1 LEU 5 2HD1 LEU 5 -7.320 1.390 3.028 54 3HD1 LEU 5 3HD1 LEU 5 -6.501 -0.145 3.309 55 1HD2 LEU 5 1HD2 LEU 5 -6.776 2.700 1.220 56 2HD2 LEU 5 2HD2 LEU 5 -5.152 2.727 0.533 57 3HD2 LEU 5 3HD2 LEU 5 -5.422 3.295 2.180 58 H VAL 6 H VAL 6 -5.111 -2.215 2.482 59 HA VAL 6 HA VAL 6 -2.844 -2.803 0.689 60 HB VAL 6 HB VAL 6 -4.981 -4.750 1.547 61 1HG1 VAL 6 1HG1 VAL 6 -3.927 -5.385 -0.502 62 2HG1 VAL 6 2HG1 VAL 6 -3.292 -6.413 0.782 63 3HG1 VAL 6 3HG1 VAL 6 -2.325 -5.074 0.165 64 1HG2 VAL 6 1HG2 VAL 6 -3.705 -5.487 3.308 65 2HG2 VAL 6 2HG2 VAL 6 -3.380 -3.755 3.366 66 3HG2 VAL 6 3HG2 VAL 6 -2.207 -4.848 2.632 67 H VAL 7 H VAL 7 -3.481 -1.553 -1.070 68 HA VAL 7 HA VAL 7 -6.135 -1.979 -2.158 69 HB VAL 7 HB VAL 7 -3.914 -0.202 -3.185 70 1HG1 VAL 7 1HG1 VAL 7 -6.414 -1.015 -4.346 71 2HG1 VAL 7 2HG1 VAL 7 -5.132 -0.016 -5.030 72 3HG1 VAL 7 3HG1 VAL 7 -6.403 0.725 -4.058 73 1HG2 VAL 7 1HG2 VAL 7 -6.392 0.568 -1.651 74 2HG2 VAL 7 2HG2 VAL 7 -5.088 1.634 -2.174 75 3HG2 VAL 7 3HG2 VAL 7 -4.785 0.411 -0.940 76 H ASP 8 H ASP 8 -6.551 -3.541 -3.528 77 HA ASP 8 HA ASP 8 -4.700 -4.187 -5.654 78 1HB ASP 8 2HB ASP 8 -3.820 -5.654 -3.975 79 2HB ASP 8 1HB ASP 8 -5.430 -6.186 -3.505 80 H ASP 9 H ASP 9 -5.835 -4.487 -7.445 81 HA ASP 9 HA ASP 9 -8.709 -4.786 -7.301 82 1HB ASP 9 2HB ASP 9 -7.426 -3.217 -8.881 83 2HB ASP 9 1HB ASP 9 -7.075 -4.659 -9.829 84 H GLU 10 H GLU 10 -7.605 -7.063 -6.327 85 HA GLU 10 HA GLU 10 -8.049 -9.011 -8.493 86 1HB GLU 10 2HB GLU 10 -5.700 -8.801 -7.320 87 2HB GLU 10 1HB GLU 10 -6.483 -9.729 -6.048 88 1HG GLU 10 2HG GLU 10 -6.891 -10.817 -8.728 89 2HG GLU 10 1HG GLU 10 -5.204 -10.775 -8.214 90 H GLU 11 H GLU 11 -8.470 -8.287 -5.068 91 HA GLU 11 HA GLU 11 -11.067 -9.314 -4.917 92 1HB GLU 11 2HB GLU 11 -9.327 -11.399 -5.031 93 2HB GLU 11 1HB GLU 11 -9.401 -11.138 -3.295 94 1HG GLU 11 2HG GLU 11 -11.444 -12.006 -3.138 95 2HG GLU 11 1HG GLU 11 -12.023 -11.125 -4.552 96 H SER 12 H SER 12 -11.193 -10.114 -2.250 97 HA SER 12 HA SER 12 -11.158 -7.674 -0.903 98 1HB SER 12 2HB SER 12 -11.378 -9.104 1.187 99 2HB SER 12 1HB SER 12 -12.579 -9.399 -0.069 100 HG SER 12 HG SER 12 -11.765 -11.329 -0.412 101 H ILE 13 H ILE 13 -9.337 -10.219 0.684 102 HA ILE 13 HA ILE 13 -7.184 -8.331 1.174 103 HB ILE 13 HB ILE 13 -7.204 -11.174 2.126 104 1HG1 ILE 13 2HG1 ILE 13 -9.399 -10.116 2.677 105 2HG1 ILE 13 1HG1 ILE 13 -8.446 -10.529 4.097 106 1HG2 ILE 13 1HG2 ILE 13 -5.197 -10.352 2.760 107 2HG2 ILE 13 2HG2 ILE 13 -6.147 -9.756 4.121 108 3HG2 ILE 13 3HG2 ILE 13 -5.761 -8.680 2.778 109 1HD1 ILE 13 1HD1 ILE 13 -7.659 -8.100 4.043 110 2HD1 ILE 13 2HD1 ILE 13 -9.313 -8.424 4.565 111 3HD1 ILE 13 3HD1 ILE 13 -9.003 -7.831 2.933 112 H THR 14 H THR 14 -4.933 -9.012 0.957 113 HA THR 14 HA THR 14 -4.520 -10.317 -1.608 114 HB THR 14 HB THR 14 -2.226 -9.440 -1.452 115 HG1 THR 14 1HG THR 14 -3.059 -8.375 1.040 116 1HG2 THR 14 1HG2 THR 14 -2.696 -7.028 -1.403 117 2HG2 THR 14 2HG2 THR 14 -4.310 -7.374 -0.784 118 3HG2 THR 14 3HG2 THR 14 -3.847 -7.923 -2.394 119 H SER 15 H SER 15 -3.662 -12.292 -1.858 120 HA SER 15 HA SER 15 -3.615 -14.159 0.161 121 1HB SER 15 2HB SER 15 -2.361 -14.063 -2.558 122 2HB SER 15 1HB SER 15 -2.028 -15.426 -1.489 123 HG SER 15 HG SER 15 -3.997 -15.351 -3.035 124 H SER 16 H SER 16 -2.155 -15.010 1.532 125 HA SER 16 HA SER 16 -0.249 -15.313 2.731 126 1HB SER 16 2HB SER 16 0.853 -15.362 0.465 127 2HB SER 16 1HB SER 16 1.216 -13.651 0.688 128 HG SER 16 HG SER 16 2.239 -14.363 2.722 129 H LEU 17 H LEU 17 -1.778 -12.442 2.330 130 HA LEU 17 HA LEU 17 0.089 -10.844 3.888 131 1HB LEU 17 2HB LEU 17 -1.613 -10.149 1.931 132 2HB LEU 17 1HB LEU 17 -2.664 -9.885 3.303 133 HG LEU 17 HG LEU 17 -0.675 -8.155 2.223 134 1HD1 LEU 17 1HD1 LEU 17 -2.498 -7.007 2.839 135 2HD1 LEU 17 2HD1 LEU 17 -1.640 -6.850 4.371 136 3HD1 LEU 17 3HD1 LEU 17 -2.871 -8.098 4.172 137 1HD2 LEU 17 1HD2 LEU 17 0.378 -7.525 4.462 138 2HD2 LEU 17 2HD2 LEU 17 1.030 -8.936 3.630 139 3HD2 LEU 17 3HD2 LEU 17 -0.068 -9.146 4.994 140 H SER 18 H SER 18 -3.359 -11.736 4.184 141 HA SER 18 HA SER 18 -3.860 -10.876 6.721 142 1HB SER 18 2HB SER 18 -5.471 -11.993 5.090 143 2HB SER 18 1HB SER 18 -4.890 -13.533 5.723 144 HG SER 18 HG SER 18 -6.830 -12.283 6.708 145 H ALA 19 H ALA 19 -2.429 -14.009 5.839 146 HA ALA 19 HA ALA 19 -2.252 -15.063 8.432 147 1HB ALA 19 1HB ALA 19 -1.891 -16.364 6.361 148 2HB ALA 19 2HB ALA 19 -0.587 -16.574 7.529 149 3HB ALA 19 3HB ALA 19 -0.356 -15.527 6.130 150 H ILE 20 H ILE 20 -0.225 -12.875 6.634 151 HA ILE 20 HA ILE 20 1.934 -12.858 8.512 152 HB ILE 20 HB ILE 20 1.246 -11.199 6.106 153 1HG1 ILE 20 2HG1 ILE 20 3.734 -12.788 6.674 154 2HG1 ILE 20 1HG1 ILE 20 2.279 -13.532 6.017 155 1HG2 ILE 20 1HG2 ILE 20 3.115 -10.515 8.282 156 2HG2 ILE 20 2HG2 ILE 20 2.283 -9.474 7.127 157 3HG2 ILE 20 3HG2 ILE 20 3.735 -10.347 6.640 158 1HD1 ILE 20 1HD1 ILE 20 4.277 -11.849 4.723 159 2HD1 ILE 20 2HD1 ILE 20 2.609 -11.410 4.362 160 3HD1 ILE 20 3HD1 ILE 20 3.178 -13.047 4.039 161 H LEU 21 H LEU 21 -0.285 -10.196 7.548 162 HA LEU 21 HA LEU 21 0.392 -8.590 9.687 163 1HB LEU 21 2HB LEU 21 -1.395 -7.159 9.150 164 2HB LEU 21 1HB LEU 21 -0.746 -7.786 7.658 165 HG LEU 21 HG LEU 21 -3.410 -7.699 8.465 166 1HD1 LEU 21 1HD1 LEU 21 -2.010 -9.122 6.218 167 2HD1 LEU 21 2HD1 LEU 21 -2.756 -7.524 6.191 168 3HD1 LEU 21 3HD1 LEU 21 -3.763 -8.965 6.332 169 1HD2 LEU 21 1HD2 LEU 21 -3.990 -10.118 8.313 170 2HD2 LEU 21 2HD2 LEU 21 -3.217 -9.612 9.809 171 3HD2 LEU 21 3HD2 LEU 21 -2.284 -10.459 8.577 172 H GLU 22 H GLU 22 -1.250 -11.464 9.858 173 HA GLU 22 HA GLU 22 -2.789 -10.767 12.219 174 1HB GLU 22 2HB GLU 22 -2.557 -13.161 10.465 175 2HB GLU 22 1HB GLU 22 -3.108 -13.388 12.118 176 1HG GLU 22 2HG GLU 22 -4.837 -11.605 11.643 177 2HG GLU 22 1HG GLU 22 -4.389 -11.765 9.946 178 H GLU 23 H GLU 23 0.222 -12.269 11.324 179 HA GLU 23 HA GLU 23 0.692 -13.424 13.921 180 1HB GLU 23 2HB GLU 23 1.682 -14.598 12.123 181 2HB GLU 23 1HB GLU 23 2.326 -13.128 11.409 182 1HG GLU 23 2HG GLU 23 4.206 -13.266 12.573 183 2HG GLU 23 1HG GLU 23 3.345 -13.577 14.079 184 H GLU 24 H GLU 24 1.590 -10.540 12.136 185 HA GLU 24 HA GLU 24 3.460 -9.614 14.102 186 1HB GLU 24 2HB GLU 24 2.291 -8.527 11.591 187 2HB GLU 24 1HB GLU 24 3.042 -7.409 12.721 188 1HG GLU 24 2HG GLU 24 4.407 -9.839 11.595 189 2HG GLU 24 1HG GLU 24 4.540 -8.218 10.916 190 H GLY 25 H GLY 25 0.060 -9.180 13.442 191 1HA GLY 25 2HA GLY 25 -1.521 -8.526 15.068 192 2HA GLY 25 1HA GLY 25 -0.223 -7.772 15.984 193 H TYR 26 H TYR 26 -1.042 -7.421 12.575 194 HA TYR 26 HA TYR 26 -1.112 -4.525 12.917 195 1HB TYR 26 2HB TYR 26 -0.705 -6.387 10.623 196 2HB TYR 26 1HB TYR 26 -1.267 -4.756 10.292 197 HD1 TYR 26 1HD TYR 26 0.403 -3.329 9.633 198 HD2 TYR 26 2HD TYR 26 1.298 -6.306 12.535 199 HE1 TYR 26 1HE TYR 26 2.713 -2.505 9.756 200 HE2 TYR 26 2HE TYR 26 3.613 -5.489 12.666 201 HH TYR 26 HH TYR 26 4.635 -2.714 11.858 202 H HIS 27 H HIS 27 -2.643 -3.693 10.868 203 HA HIS 27 HA HIS 27 -5.279 -4.915 11.114 204 1HB HIS 27 2HB HIS 27 -4.596 -2.770 12.722 205 2HB HIS 27 1HB HIS 27 -5.419 -2.005 11.367 206 HD1 HIS 27 1HD HIS 27 -7.418 -1.388 12.908 207 HD2 HIS 27 2HD HIS 27 -6.738 -5.470 12.527 208 HE1 HIS 27 1HE HIS 27 -9.477 -2.502 13.829 209 HE2 HIS 27 2HE HIS 27 -9.079 -4.969 13.506 210 HA PRO 28 HA PRO 28 -4.577 -3.469 6.842 211 1HB PRO 28 2HB PRO 28 -5.715 -5.563 5.600 212 2HB PRO 28 1HB PRO 28 -4.074 -5.639 6.250 213 1HG PRO 28 2HG PRO 28 -6.609 -6.736 7.372 214 2HG PRO 28 1HG PRO 28 -4.983 -7.434 7.384 215 1HD PRO 28 2HD PRO 28 -6.154 -6.106 9.515 216 2HD PRO 28 1HD PRO 28 -4.409 -6.335 9.299 217 H ASP 29 H ASP 29 -5.975 -2.442 5.444 218 HA ASP 29 HA ASP 29 -8.791 -2.520 6.217 219 1HB ASP 29 2HB ASP 29 -7.305 -0.356 6.511 220 2HB ASP 29 1HB ASP 29 -7.767 -0.124 4.827 221 H THR 30 H THR 30 -6.771 -3.302 3.808 222 HA THR 30 HA THR 30 -6.927 -3.426 1.508 223 HB THR 30 HB THR 30 -8.175 -5.353 0.978 224 HG1 THR 30 1HG THR 30 -9.972 -5.973 2.047 225 1HG2 THR 30 1HG2 THR 30 -7.266 -6.818 2.408 226 2HG2 THR 30 2HG2 THR 30 -7.949 -6.025 3.825 227 3HG2 THR 30 3HG2 THR 30 -6.487 -5.385 3.077 228 H ALA 31 H ALA 31 -7.590 -2.308 -0.173 229 HA ALA 31 HA ALA 31 -10.417 -1.612 -0.454 230 1HB ALA 31 1HB ALA 31 -9.266 0.298 0.661 231 2HB ALA 31 2HB ALA 31 -9.982 0.703 -0.899 232 3HB ALA 31 3HB ALA 31 -8.242 0.452 -0.766 233 H LYS 32 H LYS 32 -11.113 -1.502 -2.583 234 HA LYS 32 HA LYS 32 -9.643 -2.878 -4.533 235 1HB LYS 32 2HB LYS 32 -11.909 -0.926 -5.006 236 2HB LYS 32 1HB LYS 32 -11.376 -2.194 -6.101 237 1HG LYS 32 2HG LYS 32 -11.967 -3.842 -4.285 238 2HG LYS 32 1HG LYS 32 -12.751 -2.499 -3.451 239 1HD LYS 32 2HD LYS 32 -13.411 -3.111 -6.309 240 2HD LYS 32 1HD LYS 32 -14.161 -4.029 -5.001 241 1HE LYS 32 2HE LYS 32 -14.748 -1.731 -4.008 242 2HE LYS 32 1HE LYS 32 -14.379 -1.101 -5.613 243 1HZ LYS 32 1HZ LYS 32 -16.655 -1.505 -5.651 244 2HZ LYS 32 2HZ LYS 32 -16.523 -2.973 -4.822 245 3HZ LYS 32 3HZ LYS 32 -16.008 -2.858 -6.431 246 H THR 33 H THR 33 -9.815 -1.400 -6.889 247 HA THR 33 HA THR 33 -7.390 -0.206 -7.070 248 HB THR 33 HB THR 33 -8.051 0.684 -9.168 249 HG1 THR 33 1HG THR 33 -10.752 0.470 -8.345 250 1HG2 THR 33 1HG2 THR 33 -8.804 -1.929 -8.480 251 2HG2 THR 33 2HG2 THR 33 -8.450 -1.283 -10.082 252 3HG2 THR 33 3HG2 THR 33 -10.104 -1.269 -9.471 253 H LEU 34 H LEU 34 -6.904 2.069 -7.676 254 HA LEU 34 HA LEU 34 -6.925 3.764 -5.591 255 1HB LEU 34 2HB LEU 34 -7.155 4.793 -8.409 256 2HB LEU 34 1HB LEU 34 -6.304 5.526 -7.062 257 HG LEU 34 HG LEU 34 -5.507 2.946 -8.416 258 1HD1 LEU 34 1HD1 LEU 34 -3.479 4.652 -8.874 259 2HD1 LEU 34 2HD1 LEU 34 -4.846 5.764 -8.933 260 3HD1 LEU 34 3HD1 LEU 34 -4.801 4.364 -10.005 261 1HD2 LEU 34 1HD2 LEU 34 -4.671 2.733 -6.277 262 2HD2 LEU 34 2HD2 LEU 34 -4.440 4.470 -6.079 263 3HD2 LEU 34 3HD2 LEU 34 -3.342 3.545 -7.102 264 H ARG 35 H ARG 35 -9.568 3.348 -7.853 265 HA ARG 35 HA ARG 35 -11.032 5.659 -7.277 266 1HB ARG 35 2HB ARG 35 -11.435 3.613 -8.948 267 2HB ARG 35 1HB ARG 35 -12.507 3.098 -7.653 268 1HG ARG 35 2HG ARG 35 -14.020 4.331 -8.753 269 2HG ARG 35 1HG ARG 35 -13.254 5.679 -7.911 270 1HD ARG 35 2HD ARG 35 -11.677 5.275 -10.164 271 2HD ARG 35 1HD ARG 35 -13.330 5.064 -10.739 272 HE ARG 35 HE ARG 35 -12.094 7.505 -9.881 273 1HH1 ARG 35 1HH1 ARG 35 -15.133 5.829 -10.245 274 2HH1 ARG 35 2HH1 ARG 35 -16.066 7.284 -10.343 275 1HH2 ARG 35 1HH2 ARG 35 -13.320 9.420 -10.009 276 2HH2 ARG 35 2HH2 ARG 35 -15.038 9.323 -10.208 277 H GLU 36 H GLU 36 -11.605 2.406 -5.945 278 HA GLU 36 HA GLU 36 -13.245 3.298 -3.831 279 1HB GLU 36 2HB GLU 36 -12.720 0.877 -4.902 280 2HB GLU 36 1HB GLU 36 -11.723 0.784 -3.457 281 1HG GLU 36 2HG GLU 36 -13.806 -0.156 -2.894 282 2HG GLU 36 1HG GLU 36 -13.761 1.436 -2.139 283 H ALA 37 H ALA 37 -9.778 2.810 -4.143 284 HA ALA 37 HA ALA 37 -9.142 2.940 -1.390 285 1HB ALA 37 1HB ALA 37 -6.926 3.959 -2.649 286 2HB ALA 37 2HB ALA 37 -7.681 2.998 -3.920 287 3HB ALA 37 3HB ALA 37 -7.255 2.248 -2.382 288 H GLU 38 H GLU 38 -8.733 5.463 -3.893 289 HA GLU 38 HA GLU 38 -8.054 7.580 -2.330 290 1HB GLU 38 2HB GLU 38 -9.582 7.333 -4.856 291 2HB GLU 38 1HB GLU 38 -9.649 8.884 -4.030 292 1HG GLU 38 2HG GLU 38 -7.062 8.652 -3.964 293 2HG GLU 38 1HG GLU 38 -7.321 7.501 -5.274 294 H LYS 39 H LYS 39 -11.317 6.327 -2.866 295 HA LYS 39 HA LYS 39 -12.683 8.316 -1.415 296 1HB LYS 39 2HB LYS 39 -13.762 6.638 -2.912 297 2HB LYS 39 1HB LYS 39 -13.445 5.406 -1.699 298 1HG LYS 39 2HG LYS 39 -14.906 7.815 -0.804 299 2HG LYS 39 1HG LYS 39 -15.762 6.705 -1.876 300 1HD LYS 39 2HD LYS 39 -15.254 4.853 -0.344 301 2HD LYS 39 1HD LYS 39 -14.430 5.983 0.734 302 1HE LYS 39 2HE LYS 39 -16.367 6.872 1.507 303 2HE LYS 39 1HE LYS 39 -17.196 6.677 -0.037 304 1HZ LYS 39 1HZ LYS 39 -16.755 4.647 2.068 305 2HZ LYS 39 2HZ LYS 39 -17.185 4.217 0.490 306 3HZ LYS 39 3HZ LYS 39 -18.222 5.181 1.415 307 H LYS 40 H LYS 40 -11.516 5.104 -0.442 308 HA LYS 40 HA LYS 40 -12.220 5.316 2.271 309 1HB LYS 40 2HB LYS 40 -10.121 3.653 0.888 310 2HB LYS 40 1HB LYS 40 -10.528 3.483 2.590 311 1HG LYS 40 2HG LYS 40 -12.376 3.040 0.256 312 2HG LYS 40 1HG LYS 40 -11.665 1.800 1.290 313 1HD LYS 40 2HD LYS 40 -12.841 3.302 3.166 314 2HD LYS 40 1HD LYS 40 -13.914 3.653 1.810 315 1HE LYS 40 2HE LYS 40 -14.764 1.563 1.772 316 2HE LYS 40 1HE LYS 40 -13.219 0.816 2.177 317 1HZ LYS 40 1HZ LYS 40 -15.054 2.176 4.078 318 2HZ LYS 40 2HZ LYS 40 -13.551 1.511 4.482 319 3HZ LYS 40 3HZ LYS 40 -14.805 0.506 3.954 320 H ILE 41 H ILE 41 -9.350 6.340 0.508 321 HA ILE 41 HA ILE 41 -7.960 7.043 2.964 322 HB ILE 41 HB ILE 41 -7.102 7.607 0.133 323 1HG1 ILE 41 2HG1 ILE 41 -5.988 5.330 1.706 324 2HG1 ILE 41 1HG1 ILE 41 -7.562 5.117 0.948 325 1HG2 ILE 41 1HG2 ILE 41 -5.700 7.632 2.786 326 2HG2 ILE 41 2HG2 ILE 41 -5.827 8.926 1.595 327 3HG2 ILE 41 3HG2 ILE 41 -4.821 7.516 1.262 328 1HD1 ILE 41 1HD1 ILE 41 -6.027 4.284 -0.594 329 2HD1 ILE 41 2HD1 ILE 41 -4.916 5.631 -0.354 330 3HD1 ILE 41 3HD1 ILE 41 -6.441 5.887 -1.202 331 H LYS 42 H LYS 42 -10.224 8.508 0.950 332 HA LYS 42 HA LYS 42 -9.363 11.144 0.775 333 1HB LYS 42 2HB LYS 42 -11.514 9.866 -0.113 334 2HB LYS 42 1HB LYS 42 -12.238 10.647 1.286 335 1HG LYS 42 2HG LYS 42 -11.146 12.796 0.338 336 2HG LYS 42 1HG LYS 42 -11.057 11.876 -1.165 337 1HD LYS 42 2HD LYS 42 -13.141 12.602 -1.540 338 2HD LYS 42 1HD LYS 42 -13.634 11.419 -0.326 339 1HE LYS 42 2HE LYS 42 -13.278 13.210 1.406 340 2HE LYS 42 1HE LYS 42 -13.077 14.351 0.076 341 1HZ LYS 42 1HZ LYS 42 -15.495 12.890 0.910 342 2HZ LYS 42 2HZ LYS 42 -15.342 13.433 -0.685 343 3HZ LYS 42 3HZ LYS 42 -15.303 14.540 0.591 344 H GLU 43 H GLU 43 -10.345 9.366 3.538 345 HA GLU 43 HA GLU 43 -10.216 11.823 5.129 346 1HB GLU 43 2HB GLU 43 -12.205 9.600 5.611 347 2HB GLU 43 1HB GLU 43 -12.049 11.086 6.539 348 1HG GLU 43 2HG GLU 43 -12.699 12.380 4.568 349 2HG GLU 43 1HG GLU 43 -12.868 10.886 3.648 350 H LEU 44 H LEU 44 -10.172 8.273 5.221 351 HA LEU 44 HA LEU 44 -9.063 7.971 7.763 352 1HB LEU 44 2HB LEU 44 -9.828 6.293 5.694 353 2HB LEU 44 1HB LEU 44 -8.109 5.988 5.854 354 HG LEU 44 HG LEU 44 -9.392 4.411 7.189 355 1HD1 LEU 44 1HD1 LEU 44 -8.291 4.756 9.341 356 2HD1 LEU 44 2HD1 LEU 44 -7.926 6.422 8.891 357 3HD1 LEU 44 3HD1 LEU 44 -7.195 5.087 7.999 358 1HD2 LEU 44 1HD2 LEU 44 -10.898 5.010 8.867 359 2HD2 LEU 44 2HD2 LEU 44 -11.287 6.104 7.539 360 3HD2 LEU 44 3HD2 LEU 44 -10.334 6.681 8.906 361 H PHE 45 H PHE 45 -7.132 8.428 8.575 362 HA PHE 45 HA PHE 45 -5.023 9.363 6.824 363 1HB PHE 45 2HB PHE 45 -5.624 10.510 8.978 364 2HB PHE 45 1HB PHE 45 -4.984 9.113 9.837 365 HD1 PHE 45 1HD PHE 45 -3.906 11.428 7.112 366 HD2 PHE 45 2HD PHE 45 -2.859 9.314 10.653 367 HE1 PHE 45 1HE PHE 45 -1.655 12.417 7.032 368 HE2 PHE 45 2HE PHE 45 -0.605 10.299 10.581 369 HZ PHE 45 HZ PHE 45 -0.001 11.853 8.768 370 H PHE 46 H PHE 46 -4.835 7.157 5.860 371 HA PHE 46 HA PHE 46 -3.811 4.981 7.335 372 1HB PHE 46 2HB PHE 46 -3.923 5.682 4.425 373 2HB PHE 46 1HB PHE 46 -2.976 4.295 4.950 374 HD1 PHE 46 1HD PHE 46 -6.033 5.229 3.690 375 HD2 PHE 46 2HD PHE 46 -4.347 2.774 6.730 376 HE1 PHE 46 1HE PHE 46 -8.071 3.851 3.701 377 HE2 PHE 46 2HE PHE 46 -6.383 1.390 6.746 378 HZ PHE 46 HZ PHE 46 -8.248 1.931 5.232 379 HA PRO 47 HA PRO 47 0.379 6.513 7.735 380 1HB PRO 47 2HB PRO 47 1.380 4.492 9.181 381 2HB PRO 47 1HB PRO 47 0.226 5.638 9.876 382 1HG PRO 47 2HG PRO 47 -0.242 2.872 8.840 383 2HG PRO 47 1HG PRO 47 -0.895 3.648 10.293 384 1HD PRO 47 2HD PRO 47 -2.267 3.405 7.921 385 2HD PRO 47 1HD PRO 47 -2.588 4.659 9.134 386 H VAL 48 H VAL 48 -0.489 3.363 6.485 387 HA VAL 48 HA VAL 48 1.818 3.456 4.689 388 HB VAL 48 HB VAL 48 1.038 0.851 5.958 389 1HG1 VAL 48 1HG1 VAL 48 2.691 1.480 3.862 390 2HG1 VAL 48 2HG1 VAL 48 2.761 -0.003 4.814 391 3HG1 VAL 48 3HG1 VAL 48 3.816 1.352 5.214 392 1HG2 VAL 48 1HG2 VAL 48 1.593 2.040 7.872 393 2HG2 VAL 48 2HG2 VAL 48 2.833 2.982 7.046 394 3HG2 VAL 48 3HG2 VAL 48 3.117 1.281 7.411 395 H ILE 49 H ILE 49 1.338 2.924 2.661 396 HA ILE 49 HA ILE 49 -1.270 1.660 2.132 397 HB ILE 49 HB ILE 49 0.135 3.534 0.238 398 1HG1 ILE 49 2HG1 ILE 49 -0.352 4.762 2.303 399 2HG1 ILE 49 1HG1 ILE 49 -1.412 5.290 1.001 400 1HG2 ILE 49 1HG2 ILE 49 -2.760 2.716 0.401 401 2HG2 ILE 49 2HG2 ILE 49 -1.567 1.946 -0.644 402 3HG2 ILE 49 3HG2 ILE 49 -1.979 3.644 -0.880 403 1HD1 ILE 49 1HD1 ILE 49 -2.090 3.536 3.337 404 2HD1 ILE 49 2HD1 ILE 49 -3.147 3.730 1.938 405 3HD1 ILE 49 3HD1 ILE 49 -2.740 5.126 2.938 406 H VAL 50 H VAL 50 -1.411 0.179 0.439 407 HA VAL 50 HA VAL 50 1.102 -0.657 -0.818 408 HB VAL 50 HB VAL 50 -0.831 -2.580 0.486 409 1HG1 VAL 50 1HG1 VAL 50 1.807 -3.552 -0.300 410 2HG1 VAL 50 2HG1 VAL 50 0.818 -3.034 -1.665 411 3HG1 VAL 50 3HG1 VAL 50 0.214 -4.264 -0.556 412 1HG2 VAL 50 1HG2 VAL 50 1.035 -3.039 2.029 413 2HG2 VAL 50 2HG2 VAL 50 0.450 -1.380 2.150 414 3HG2 VAL 50 3HG2 VAL 50 1.947 -1.725 1.286 415 H LEU 51 H LEU 51 0.656 -0.196 -2.866 416 HA LEU 51 HA LEU 51 -1.979 -0.862 -3.949 417 1HB LEU 51 2HB LEU 51 -1.266 1.388 -4.387 418 2HB LEU 51 1HB LEU 51 0.269 0.831 -5.026 419 HG LEU 51 HG LEU 51 -1.068 -0.319 -6.863 420 1HD1 LEU 51 1HD1 LEU 51 -3.271 -0.391 -6.510 421 2HD1 LEU 51 2HD1 LEU 51 -3.277 1.290 -7.044 422 3HD1 LEU 51 3HD1 LEU 51 -3.216 0.910 -5.322 423 1HD2 LEU 51 1HD2 LEU 51 -0.624 2.587 -6.501 424 2HD2 LEU 51 2HD2 LEU 51 -1.612 2.084 -7.873 425 3HD2 LEU 51 3HD2 LEU 51 0.035 1.477 -7.703 426 H ASP 52 H ASP 52 -1.954 -3.003 -4.385 427 HA ASP 52 HA ASP 52 0.260 -4.238 -5.785 428 1HB ASP 52 2HB ASP 52 -1.920 -5.141 -4.173 429 2HB ASP 52 1HB ASP 52 -2.032 -5.939 -5.737 430 H VAL 53 H VAL 53 0.347 -3.255 -7.784 431 HA VAL 53 HA VAL 53 -1.864 -2.738 -9.441 432 HB VAL 53 HB VAL 53 -0.218 -2.485 -11.264 433 1HG1 VAL 53 1HG1 VAL 53 -0.331 -0.487 -10.209 434 2HG1 VAL 53 2HG1 VAL 53 1.336 -0.881 -9.792 435 3HG1 VAL 53 3HG1 VAL 53 0.043 -1.175 -8.629 436 1HG2 VAL 53 1HG2 VAL 53 1.867 -3.315 -11.221 437 2HG2 VAL 53 2HG2 VAL 53 1.254 -4.364 -9.943 438 3HG2 VAL 53 3HG2 VAL 53 2.109 -2.879 -9.529 439 H TRP 54 H TRP 54 -2.989 -4.841 -9.128 440 HA TRP 54 HA TRP 54 -1.915 -7.129 -10.528 441 1HB TRP 54 2HB TRP 54 -3.241 -7.536 -8.544 442 2HB TRP 54 1HB TRP 54 -4.597 -6.639 -9.216 443 HD1 TRP 54 HD TRP 54 -6.442 -8.315 -9.778 444 HE1 TRP 54 1HE TRP 54 -6.560 -10.619 -10.915 445 HE3 TRP 54 3HE TRP 54 -1.447 -9.109 -10.527 446 HZ2 TRP 54 2HZ TRP 54 -4.773 -12.524 -11.989 447 HZ3 TRP 54 3HZ TRP 54 -0.735 -11.198 -11.617 448 HH2 TRP 54 HH TRP 54 -2.366 -12.869 -12.331 449 H MET 55 H MET 55 -5.187 -5.808 -10.875 450 HA MET 55 HA MET 55 -4.751 -5.368 -13.722 451 1HB MET 55 2HB MET 55 -6.966 -7.167 -12.723 452 2HB MET 55 1HB MET 55 -6.637 -6.739 -14.397 453 1HG MET 55 2HG MET 55 -4.717 -8.251 -12.646 454 2HG MET 55 1HG MET 55 -5.882 -9.014 -13.725 455 1HE MET 55 1HE MET 55 -3.082 -9.668 -13.599 456 2HE MET 55 2HE MET 55 -2.054 -9.183 -14.947 457 3HE MET 55 3HE MET 55 -3.433 -10.245 -15.229 458 HA PRO 56 HA PRO 56 -7.780 -2.427 -11.784 459 1HB PRO 56 2HB PRO 56 -6.018 -0.283 -11.529 460 2HB PRO 56 1HB PRO 56 -6.483 -1.389 -10.239 461 1HG PRO 56 2HG PRO 56 -3.927 -1.107 -11.447 462 2HG PRO 56 1HG PRO 56 -4.418 -2.284 -10.223 463 1HD PRO 56 2HD PRO 56 -4.133 -2.610 -13.151 464 2HD PRO 56 1HD PRO 56 -4.022 -3.822 -11.860 465 H ASP 57 H ASP 57 -7.548 0.268 -12.454 466 HA ASP 57 HA ASP 57 -7.015 0.480 -15.290 467 1HB ASP 57 2HB ASP 57 -9.330 1.248 -15.813 468 2HB ASP 57 1HB ASP 57 -9.239 -0.455 -15.378 469 H GLY 58 H GLY 58 -6.203 1.738 -12.699 470 1HA GLY 58 2HA GLY 58 -6.744 4.521 -13.508 471 2HA GLY 58 1HA GLY 58 -6.854 4.043 -11.821 472 H ASP 59 H ASP 59 -4.408 2.356 -13.439 473 HA ASP 59 HA ASP 59 -2.140 2.392 -13.246 474 1HB ASP 59 2HB ASP 59 -2.375 5.404 -13.325 475 2HB ASP 59 1HB ASP 59 -1.034 4.408 -13.885 476 H GLY 60 H GLY 60 -0.483 4.414 -11.987 477 1HA GLY 60 2HA GLY 60 -1.436 4.831 -9.316 478 2HA GLY 60 1HA GLY 60 -0.305 3.494 -9.413 479 H VAL 61 H VAL 61 0.094 6.141 -11.612 480 HA VAL 61 HA VAL 61 2.630 6.788 -10.390 481 HB VAL 61 HB VAL 61 1.380 8.009 -12.848 482 1HG1 VAL 61 1HG1 VAL 61 4.026 8.117 -11.535 483 2HG1 VAL 61 2HG1 VAL 61 3.145 9.360 -12.423 484 3HG1 VAL 61 3HG1 VAL 61 3.992 8.086 -13.299 485 1HG2 VAL 61 1HG2 VAL 61 3.128 5.561 -12.610 486 2HG2 VAL 61 2HG2 VAL 61 2.741 6.378 -14.125 487 3HG2 VAL 61 3HG2 VAL 61 1.459 5.620 -13.178 488 H ASN 62 H ASN 62 -0.412 8.419 -11.201 489 HA ASN 62 HA ASN 62 0.416 10.873 -9.927 490 1HB ASN 62 2HB ASN 62 -1.532 10.142 -11.833 491 2HB ASN 62 1HB ASN 62 -2.415 10.764 -10.442 492 1HD2 ASN 62 1HD2 ASN 62 0.418 11.521 -12.434 493 2HD2 ASN 62 2HD2 ASN 62 0.153 13.228 -12.465 494 H PHE 63 H PHE 63 -0.569 7.980 -8.717 495 HA PHE 63 HA PHE 63 -2.443 8.865 -6.737 496 1HB PHE 63 2HB PHE 63 -2.218 6.498 -7.671 497 2HB PHE 63 1HB PHE 63 -0.813 6.329 -6.624 498 HD1 PHE 63 1HD PHE 63 -4.071 8.006 -5.977 499 HD2 PHE 63 2HD PHE 63 -1.442 4.806 -4.994 500 HE1 PHE 63 1HE PHE 63 -5.551 7.364 -4.122 501 HE2 PHE 63 2HE PHE 63 -2.921 4.158 -3.138 502 HZ PHE 63 HZ PHE 63 -4.980 5.438 -2.701 503 H ILE 64 H ILE 64 1.024 8.165 -6.800 504 HA ILE 64 HA ILE 64 1.731 8.209 -4.176 505 HB ILE 64 HB ILE 64 3.242 9.776 -6.263 506 1HG1 ILE 64 2HG1 ILE 64 4.217 7.091 -5.853 507 2HG1 ILE 64 1HG1 ILE 64 2.532 7.049 -6.357 508 1HG2 ILE 64 1HG2 ILE 64 4.963 9.843 -4.829 509 2HG2 ILE 64 2HG2 ILE 64 4.689 8.195 -4.268 510 3HG2 ILE 64 3HG2 ILE 64 3.741 9.524 -3.598 511 1HD1 ILE 64 1HD1 ILE 64 4.901 7.618 -7.892 512 2HD1 ILE 64 2HD1 ILE 64 3.712 8.910 -8.037 513 3HD1 ILE 64 3HD1 ILE 64 3.265 7.251 -8.436 514 H ASP 65 H ASP 65 0.879 11.000 -6.157 515 HA ASP 65 HA ASP 65 1.576 12.967 -4.245 516 1HB ASP 65 2HB ASP 65 1.181 13.377 -6.704 517 2HB ASP 65 1HB ASP 65 -0.544 13.208 -6.391 518 H PHE 66 H PHE 66 -1.573 11.506 -5.090 519 HA PHE 66 HA PHE 66 -3.139 12.835 -3.235 520 1HB PHE 66 2HB PHE 66 -4.265 11.522 -4.841 521 2HB PHE 66 1HB PHE 66 -3.319 10.089 -4.460 522 HD1 PHE 66 1HD PHE 66 -3.978 8.599 -2.745 523 HD2 PHE 66 2HD PHE 66 -6.045 12.276 -3.296 524 HE1 PHE 66 1HE PHE 66 -5.757 7.818 -1.239 525 HE2 PHE 66 2HE PHE 66 -7.831 11.504 -1.790 526 HZ PHE 66 HZ PHE 66 -7.688 9.271 -0.758 527 H ILE 67 H ILE 67 -0.842 10.261 -2.806 528 HA ILE 67 HA ILE 67 -1.693 9.402 -0.237 529 HB ILE 67 HB ILE 67 1.176 9.266 -1.091 530 1HG1 ILE 67 2HG1 ILE 67 0.157 8.582 -3.109 531 2HG1 ILE 67 1HG1 ILE 67 0.550 7.092 -2.267 532 1HG2 ILE 67 1HG2 ILE 67 1.105 8.189 0.878 533 2HG2 ILE 67 2HG2 ILE 67 0.537 6.844 -0.113 534 3HG2 ILE 67 3HG2 ILE 67 -0.622 7.851 0.756 535 1HD1 ILE 67 1HD1 ILE 67 -1.742 7.348 -3.433 536 2HD1 ILE 67 2HD1 ILE 67 -2.176 8.276 -1.998 537 3HD1 ILE 67 3HD1 ILE 67 -1.659 6.598 -1.839 538 H LYS 68 H LYS 68 0.985 11.520 -1.274 539 HA LYS 68 HA LYS 68 1.602 12.355 1.385 540 1HB LYS 68 2HB LYS 68 2.328 13.770 -1.184 541 2HB LYS 68 1HB LYS 68 3.149 13.888 0.368 542 1HG LYS 68 2HG LYS 68 3.490 11.316 0.047 543 2HG LYS 68 1HG LYS 68 3.215 11.702 -1.653 544 1HD LYS 68 2HD LYS 68 5.080 13.513 -0.305 545 2HD LYS 68 1HD LYS 68 5.628 11.837 -0.369 546 1HE LYS 68 2HE LYS 68 6.442 12.960 -2.318 547 2HE LYS 68 1HE LYS 68 5.165 11.851 -2.818 548 1HZ LYS 68 1HZ LYS 68 3.822 13.534 -3.431 549 2HZ LYS 68 2HZ LYS 68 5.273 14.390 -3.578 550 3HZ LYS 68 3HZ LYS 68 4.328 14.562 -2.186 551 H GLU 69 H GLU 69 -0.688 13.329 -0.977 552 HA GLU 69 HA GLU 69 -1.100 16.010 -0.246 553 1HB GLU 69 2HB GLU 69 -1.981 14.856 -2.304 554 2HB GLU 69 1HB GLU 69 -3.196 14.106 -1.279 555 1HG GLU 69 2HG GLU 69 -4.104 16.269 -0.707 556 2HG GLU 69 1HG GLU 69 -2.835 17.073 -1.631 557 H ASN 70 H ASN 70 -2.842 13.069 0.730 558 HA ASN 70 HA ASN 70 -3.871 14.547 3.059 559 1HB ASN 70 2HB ASN 70 -5.062 11.994 1.996 560 2HB ASN 70 1HB ASN 70 -5.811 13.209 3.026 561 1HD2 ASN 70 1HD2 ASN 70 -4.482 12.714 -0.210 562 2HD2 ASN 70 2HD2 ASN 70 -5.546 13.814 -1.010 563 H SER 71 H SER 71 -1.302 12.915 2.591 564 HA SER 71 HA SER 71 -1.246 11.739 5.195 565 1HB SER 71 2HB SER 71 -1.861 10.046 2.921 566 2HB SER 71 1HB SER 71 -0.364 9.539 3.701 567 HG SER 71 HG SER 71 -2.516 8.725 4.518 568 HA PRO 72 HA PRO 72 2.769 13.272 3.368 569 1HB PRO 72 2HB PRO 72 2.899 14.952 5.751 570 2HB PRO 72 1HB PRO 72 2.972 15.424 4.053 571 1HG PRO 72 2HG PRO 72 0.852 15.990 5.638 572 2HG PRO 72 1HG PRO 72 0.699 15.701 3.895 573 1HD PRO 72 2HD PRO 72 0.121 13.858 6.182 574 2HD PRO 72 1HD PRO 72 -0.784 14.100 4.673 575 H ASP 73 H ASP 73 1.706 12.053 6.377 576 HA ASP 73 HA ASP 73 4.444 11.216 7.062 577 1HB ASP 73 2HB ASP 73 3.165 12.694 8.697 578 2HB ASP 73 1HB ASP 73 2.127 11.300 8.980 579 H SER 74 H SER 74 2.834 9.854 5.150 580 HA SER 74 HA SER 74 2.196 7.360 6.578 581 1HB SER 74 2HB SER 74 0.282 8.368 5.392 582 2HB SER 74 1HB SER 74 1.192 8.306 3.883 583 HG SER 74 HG SER 74 -0.273 6.521 4.208 584 H VAL 75 H VAL 75 2.116 5.805 4.149 585 HA VAL 75 HA VAL 75 4.835 5.947 3.109 586 HB VAL 75 HB VAL 75 3.833 3.429 4.442 587 1HG1 VAL 75 1HG1 VAL 75 5.988 4.015 2.546 588 2HG1 VAL 75 2HG1 VAL 75 5.240 2.476 2.971 589 3HG1 VAL 75 3HG1 VAL 75 6.520 3.143 3.984 590 1HG2 VAL 75 1HG2 VAL 75 4.447 4.797 6.217 591 2HG2 VAL 75 2HG2 VAL 75 5.740 5.574 5.303 592 3HG2 VAL 75 3HG2 VAL 75 5.936 3.917 5.875 593 H VAL 76 H VAL 76 5.086 5.195 1.122 594 HA VAL 76 HA VAL 76 2.748 3.926 -0.160 595 HB VAL 76 HB VAL 76 4.750 5.548 -1.699 596 1HG1 VAL 76 1HG1 VAL 76 3.474 4.625 -3.300 597 2HG1 VAL 76 2HG1 VAL 76 2.334 5.898 -2.868 598 3HG1 VAL 76 3HG1 VAL 76 2.148 4.282 -2.191 599 1HG2 VAL 76 1HG2 VAL 76 2.507 6.542 0.004 600 2HG2 VAL 76 2HG2 VAL 76 2.892 7.374 -1.503 601 3HG2 VAL 76 3HG2 VAL 76 4.116 7.221 -0.242 602 H ILE 77 H ILE 77 3.675 1.856 0.395 603 HA ILE 77 HA ILE 77 6.220 1.019 -0.502 604 HB ILE 77 HB ILE 77 3.804 -0.729 -0.027 605 1HG1 ILE 77 2HG1 ILE 77 4.216 0.697 1.919 606 2HG1 ILE 77 1HG1 ILE 77 4.654 -0.971 2.275 607 1HG2 ILE 77 1HG2 ILE 77 5.796 -1.715 -1.206 608 2HG2 ILE 77 2HG2 ILE 77 5.332 -2.513 0.296 609 3HG2 ILE 77 3HG2 ILE 77 6.717 -1.421 0.270 610 1HD1 ILE 77 1HD1 ILE 77 7.036 -0.277 1.672 611 2HD1 ILE 77 2HD1 ILE 77 6.369 0.300 3.199 612 3HD1 ILE 77 3HD1 ILE 77 6.446 1.380 1.807 613 H VAL 78 H VAL 78 2.968 0.376 -1.821 614 HA VAL 78 HA VAL 78 2.274 -0.319 -3.883 615 HB VAL 78 HB VAL 78 4.541 1.430 -4.857 616 1HG1 VAL 78 1HG1 VAL 78 1.904 0.736 -6.150 617 2HG1 VAL 78 2HG1 VAL 78 3.455 0.007 -6.564 618 3HG1 VAL 78 3HG1 VAL 78 3.188 1.728 -6.838 619 1HG2 VAL 78 1HG2 VAL 78 1.704 2.251 -4.253 620 2HG2 VAL 78 2HG2 VAL 78 3.038 3.288 -4.759 621 3HG2 VAL 78 3HG2 VAL 78 3.066 2.530 -3.167 622 H ILE 79 H ILE 79 2.799 -2.497 -3.756 623 HA ILE 79 HA ILE 79 5.384 -3.340 -4.850 624 HB ILE 79 HB ILE 79 3.396 -5.322 -3.841 625 1HG1 ILE 79 2HG1 ILE 79 5.135 -3.683 -1.991 626 2HG1 ILE 79 1HG1 ILE 79 3.402 -3.449 -2.181 627 1HG2 ILE 79 1HG2 ILE 79 5.217 -6.541 -4.321 628 2HG2 ILE 79 2HG2 ILE 79 5.837 -5.932 -2.788 629 3HG2 ILE 79 3HG2 ILE 79 6.282 -5.135 -4.298 630 1HD1 ILE 79 1HD1 ILE 79 2.898 -5.221 -0.908 631 2HD1 ILE 79 2HD1 ILE 79 4.537 -4.999 -0.292 632 3HD1 ILE 79 3HD1 ILE 79 4.222 -6.193 -1.552 633 H THR 80 H THR 80 4.874 -5.718 -6.010 634 HA THR 80 HA THR 80 3.929 -6.835 -7.769 635 HB THR 80 HB THR 80 1.924 -4.620 -8.144 636 HG1 THR 80 1HG THR 80 1.676 -6.795 -6.345 637 1HG2 THR 80 1HG2 THR 80 0.460 -6.372 -8.895 638 2HG2 THR 80 2HG2 THR 80 1.679 -7.592 -8.528 639 3HG2 THR 80 3HG2 THR 80 1.964 -6.421 -9.814 640 H GLY 81 H GLY 81 5.512 -6.713 -9.241 641 1HA GLY 81 2HA GLY 81 5.377 -5.441 -11.605 642 2HA GLY 81 1HA GLY 81 6.120 -4.218 -10.585 643 H HIS 82 H HIS 82 6.489 -7.726 -11.127 644 HA HIS 82 HA HIS 82 9.311 -7.609 -10.641 645 1HB HIS 82 2HB HIS 82 7.381 -9.614 -10.651 646 2HB HIS 82 1HB HIS 82 8.407 -10.005 -12.027 647 HD1 HIS 82 1HD HIS 82 9.747 -8.449 -8.876 648 HD2 HIS 82 2HD HIS 82 9.692 -12.129 -10.803 649 HE1 HIS 82 1HE HIS 82 11.378 -9.890 -7.617 650 HE2 HIS 82 2HE HIS 82 11.257 -12.141 -8.744 651 H GLY 83 H GLY 83 7.361 -8.360 -13.536 652 1HA GLY 83 2HA GLY 83 9.476 -8.548 -15.347 653 2HA GLY 83 1HA GLY 83 7.826 -8.118 -15.771 654 H SER 84 H SER 84 7.255 -5.949 -15.987 655 HA SER 84 HA SER 84 9.281 -4.236 -16.934 656 1HB SER 84 2HB SER 84 7.131 -3.894 -17.845 657 2HB SER 84 1HB SER 84 6.377 -3.808 -16.252 658 HG SER 84 HG SER 84 8.240 -1.913 -17.246 659 H VAL 85 H VAL 85 10.797 -3.357 -15.688 660 HA VAL 85 HA VAL 85 10.187 -2.622 -12.934 661 HB VAL 85 HB VAL 85 12.848 -2.392 -14.335 662 1HG1 VAL 85 1HG1 VAL 85 13.230 -1.268 -12.414 663 2HG1 VAL 85 2HG1 VAL 85 13.400 -2.893 -11.751 664 3HG1 VAL 85 3HG1 VAL 85 11.875 -2.024 -11.575 665 1HG2 VAL 85 1HG2 VAL 85 11.784 -4.719 -12.735 666 2HG2 VAL 85 2HG2 VAL 85 13.411 -4.569 -13.399 667 3HG2 VAL 85 3HG2 VAL 85 12.026 -4.698 -14.483 668 H ASP 86 H ASP 86 9.434 -1.111 -15.566 669 HA ASP 86 HA ASP 86 10.699 1.462 -15.043 670 1HB ASP 86 2HB ASP 86 10.435 0.707 -17.376 671 2HB ASP 86 1HB ASP 86 8.687 0.677 -17.163 672 H THR 87 H THR 87 7.877 -0.231 -14.167 673 HA THR 87 HA THR 87 6.230 2.110 -13.775 674 HB THR 87 HB THR 87 5.506 -0.401 -14.200 675 HG1 THR 87 1HG THR 87 3.772 0.759 -14.042 676 1HG2 THR 87 1HG2 THR 87 6.552 -1.281 -12.126 677 2HG2 THR 87 2HG2 THR 87 4.820 -1.596 -12.249 678 3HG2 THR 87 3HG2 THR 87 5.411 -0.312 -11.194 679 H ALA 88 H ALA 88 8.394 0.093 -11.947 680 HA ALA 88 HA ALA 88 7.771 0.925 -9.344 681 1HB ALA 88 1HB ALA 88 10.298 0.371 -8.999 682 2HB ALA 88 2HB ALA 88 10.206 -0.205 -10.662 683 3HB ALA 88 3HB ALA 88 9.174 -0.918 -9.424 684 H VAL 89 H VAL 89 10.372 2.008 -11.492 685 HA VAL 89 HA VAL 89 11.209 4.173 -9.923 686 HB VAL 89 HB VAL 89 12.427 4.936 -11.868 687 1HG1 VAL 89 1HG1 VAL 89 12.359 1.922 -11.795 688 2HG1 VAL 89 2HG1 VAL 89 13.261 2.954 -10.684 689 3HG1 VAL 89 3HG1 VAL 89 13.682 2.923 -12.397 690 1HG2 VAL 89 1HG2 VAL 89 12.001 3.353 -13.984 691 2HG2 VAL 89 2HG2 VAL 89 11.168 4.891 -13.755 692 3HG2 VAL 89 3HG2 VAL 89 10.368 3.381 -13.318 693 H LYS 90 H LYS 90 8.586 3.834 -12.186 694 HA LYS 90 HA LYS 90 8.181 6.664 -12.525 695 1HB LYS 90 2HB LYS 90 7.583 5.078 -14.297 696 2HB LYS 90 1HB LYS 90 6.400 4.330 -13.233 697 1HG LYS 90 2HG LYS 90 5.087 6.352 -13.199 698 2HG LYS 90 1HG LYS 90 6.309 7.194 -14.155 699 1HD LYS 90 2HD LYS 90 4.830 4.743 -15.099 700 2HD LYS 90 1HD LYS 90 4.325 6.395 -15.459 701 1HE LYS 90 2HE LYS 90 5.865 6.622 -17.061 702 2HE LYS 90 1HE LYS 90 7.134 5.930 -16.052 703 1HZ LYS 90 1HZ LYS 90 6.923 4.452 -17.816 704 2HZ LYS 90 2HZ LYS 90 5.233 4.534 -17.831 705 3HZ LYS 90 3HZ LYS 90 6.030 3.712 -16.585 706 H ALA 91 H ALA 91 7.398 4.428 -10.099 707 HA ALA 91 HA ALA 91 5.205 6.147 -9.144 708 1HB ALA 91 1HB ALA 91 4.852 3.960 -7.661 709 2HB ALA 91 2HB ALA 91 5.626 3.220 -9.062 710 3HB ALA 91 3HB ALA 91 4.141 4.150 -9.264 711 H ILE 92 H ILE 92 8.330 4.836 -8.395 712 HA ILE 92 HA ILE 92 8.139 5.603 -5.598 713 HB ILE 92 HB ILE 92 10.191 4.531 -5.223 714 1HG1 ILE 92 2HG1 ILE 92 10.637 4.669 -8.216 715 2HG1 ILE 92 1HG1 ILE 92 11.535 5.533 -6.975 716 1HG2 ILE 92 1HG2 ILE 92 9.853 2.431 -6.941 717 2HG2 ILE 92 2HG2 ILE 92 8.264 3.191 -6.970 718 3HG2 ILE 92 3HG2 ILE 92 8.963 2.672 -5.438 719 1HD1 ILE 92 1HD1 ILE 92 12.252 3.267 -6.110 720 2HD1 ILE 92 2HD1 ILE 92 12.915 3.766 -7.666 721 3HD1 ILE 92 3HD1 ILE 92 11.592 2.601 -7.605 722 H LYS 93 H LYS 93 9.079 7.032 -8.534 723 HA LYS 93 HA LYS 93 11.130 8.745 -7.551 724 1HB LYS 93 2HB LYS 93 9.731 8.311 -10.058 725 2HB LYS 93 1HB LYS 93 9.985 10.022 -9.748 726 1HG LYS 93 2HG LYS 93 12.330 9.754 -9.638 727 2HG LYS 93 1HG LYS 93 12.195 7.996 -9.576 728 1HD LYS 93 2HD LYS 93 10.916 9.167 -11.923 729 2HD LYS 93 1HD LYS 93 12.646 9.501 -11.835 730 1HE LYS 93 2HE LYS 93 12.187 6.767 -11.146 731 2HE LYS 93 1HE LYS 93 11.359 7.124 -12.661 732 1HZ LYS 93 1HZ LYS 93 14.228 7.201 -12.049 733 2HZ LYS 93 2HZ LYS 93 13.625 8.246 -13.235 734 3HZ LYS 93 3HZ LYS 93 13.434 6.573 -13.404 735 H LYS 94 H LYS 94 7.642 9.121 -8.048 736 HA LYS 94 HA LYS 94 7.400 11.827 -7.494 737 1HB LYS 94 2HB LYS 94 5.570 10.385 -8.332 738 2HB LYS 94 1HB LYS 94 5.442 9.657 -6.736 739 1HG LYS 94 2HG LYS 94 4.335 11.415 -5.875 740 2HG LYS 94 1HG LYS 94 5.269 12.592 -6.799 741 1HD LYS 94 2HD LYS 94 3.303 10.819 -8.190 742 2HD LYS 94 1HD LYS 94 2.740 12.248 -7.320 743 1HE LYS 94 2HE LYS 94 4.284 13.633 -8.650 744 2HE LYS 94 1HE LYS 94 4.776 12.196 -9.546 745 1HZ LYS 94 1HZ LYS 94 3.070 13.564 -10.677 746 2HZ LYS 94 2HZ LYS 94 1.986 13.197 -9.433 747 3HZ LYS 94 3HZ LYS 94 2.586 11.963 -10.420 748 H GLY 95 H GLY 95 7.735 9.109 -5.290 749 1HA GLY 95 2HA GLY 95 8.981 10.110 -3.218 750 2HA GLY 95 1HA GLY 95 7.431 10.904 -2.993 751 H ALA 96 H ALA 96 7.986 7.590 -4.127 752 HA ALA 96 HA ALA 96 6.264 6.634 -1.985 753 1HB ALA 96 1HB ALA 96 5.810 4.816 -3.276 754 2HB ALA 96 2HB ALA 96 7.442 4.742 -3.942 755 3HB ALA 96 3HB ALA 96 6.294 5.934 -4.550 756 H TYR 97 H TYR 97 7.175 4.072 -1.606 757 HA TYR 97 HA TYR 97 9.717 4.555 -0.212 758 1HB TYR 97 2HB TYR 97 7.551 3.912 1.048 759 2HB TYR 97 1HB TYR 97 7.841 2.297 0.411 760 HD1 TYR 97 1HD TYR 97 8.837 0.862 1.900 761 HD2 TYR 97 2HD TYR 97 9.898 4.979 2.017 762 HE1 TYR 97 1HE TYR 97 10.383 0.404 3.758 763 HE2 TYR 97 2HE TYR 97 11.448 4.533 3.875 764 HH TYR 97 HH TYR 97 12.347 1.369 4.800 765 H GLU 98 H GLU 98 9.372 3.748 -3.010 766 HA GLU 98 HA GLU 98 10.630 2.506 -4.456 767 1HB GLU 98 2HB GLU 98 12.467 1.400 -3.738 768 2HB GLU 98 1HB GLU 98 12.090 2.193 -2.218 769 1HG GLU 98 2HG GLU 98 10.654 -0.033 -1.886 770 2HG GLU 98 1HG GLU 98 11.884 -0.657 -2.982 771 H PHE 99 H PHE 99 10.563 0.394 -5.497 772 HA PHE 99 HA PHE 99 7.979 -0.874 -5.041 773 1HB PHE 99 2HB PHE 99 9.610 -0.308 -7.323 774 2HB PHE 99 1HB PHE 99 9.325 -2.040 -7.253 775 HD1 PHE 99 1HD PHE 99 7.660 -2.665 -8.687 776 HD2 PHE 99 2HD PHE 99 7.236 0.967 -6.510 777 HE1 PHE 99 1HE PHE 99 5.437 -2.330 -9.690 778 HE2 PHE 99 2HE PHE 99 5.014 1.309 -7.509 779 HZ PHE 99 HZ PHE 99 4.110 -0.340 -9.098 780 H LEU 100 H LEU 100 8.068 -2.404 -3.498 781 HA LEU 100 HA LEU 100 10.284 -3.939 -2.790 782 1HB LEU 100 2HB LEU 100 7.907 -3.567 -1.691 783 2HB LEU 100 1HB LEU 100 7.544 -5.071 -2.514 784 HG LEU 100 HG LEU 100 9.269 -6.229 -1.293 785 1HD1 LEU 100 1HD1 LEU 100 11.061 -4.903 -0.879 786 2HD1 LEU 100 2HD1 LEU 100 10.252 -4.724 0.678 787 3HD1 LEU 100 3HD1 LEU 100 10.073 -3.478 -0.556 788 1HD2 LEU 100 1HD2 LEU 100 8.016 -4.691 0.898 789 2HD2 LEU 100 2HD2 LEU 100 8.091 -6.432 0.628 790 3HD2 LEU 100 3HD2 LEU 100 6.933 -5.450 -0.269 791 H GLU 101 H GLU 101 10.906 -6.058 -3.260 792 HA GLU 101 HA GLU 101 9.977 -7.024 -5.871 793 1HB GLU 101 2HB GLU 101 12.549 -7.195 -4.381 794 2HB GLU 101 1HB GLU 101 12.138 -8.528 -5.451 795 1HG GLU 101 2HG GLU 101 11.766 -5.897 -6.656 796 2HG GLU 101 1HG GLU 101 13.428 -6.239 -6.184 797 H LYS 102 H LYS 102 10.045 -9.453 -6.139 798 HA LYS 102 HA LYS 102 9.218 -11.507 -5.628 799 1HB LYS 102 2HB LYS 102 10.499 -10.629 -3.102 800 2HB LYS 102 1HB LYS 102 9.375 -11.975 -2.981 801 1HG LYS 102 2HG LYS 102 10.771 -12.881 -5.024 802 2HG LYS 102 1HG LYS 102 12.003 -11.813 -4.350 803 1HD LYS 102 2HD LYS 102 11.455 -12.959 -2.106 804 2HD LYS 102 1HD LYS 102 10.683 -14.198 -3.098 805 1HE LYS 102 2HE LYS 102 13.392 -13.393 -3.933 806 2HE LYS 102 1HE LYS 102 13.289 -14.232 -2.385 807 1HZ LYS 102 1HZ LYS 102 12.808 -15.228 -5.070 808 2HZ LYS 102 2HZ LYS 102 11.732 -15.777 -3.886 809 3HZ LYS 102 3HZ LYS 102 13.395 -16.034 -3.705 810 HA PRO 103 HA PRO 103 5.333 -9.420 -3.954 811 1HB PRO 103 2HB PRO 103 3.965 -9.193 -6.267 812 2HB PRO 103 1HB PRO 103 5.107 -7.958 -5.725 813 1HG PRO 103 2HG PRO 103 5.495 -10.145 -7.732 814 2HG PRO 103 1HG PRO 103 5.996 -8.446 -7.819 815 1HD PRO 103 2HD PRO 103 7.692 -10.465 -7.140 816 2HD PRO 103 1HD PRO 103 7.871 -8.804 -6.541 817 H PHE 104 H PHE 104 5.277 -11.646 -3.068 818 HA PHE 104 HA PHE 104 3.139 -13.158 -4.336 819 1HB PHE 104 2HB PHE 104 5.638 -13.977 -4.896 820 2HB PHE 104 1HB PHE 104 5.393 -14.828 -3.375 821 HD1 PHE 104 1HD PHE 104 4.695 -14.763 -6.885 822 HD2 PHE 104 2HD PHE 104 3.393 -16.352 -3.158 823 HE1 PHE 104 1HE PHE 104 3.439 -16.513 -8.074 824 HE2 PHE 104 2HE PHE 104 2.136 -18.106 -4.340 825 HZ PHE 104 HZ PHE 104 2.158 -18.188 -6.801 826 H SER 105 H SER 105 5.495 -13.661 -1.701 827 HA SER 105 HA SER 105 3.251 -14.277 0.082 828 1HB SER 105 2HB SER 105 4.927 -16.007 0.010 829 2HB SER 105 1HB SER 105 6.211 -14.841 0.323 830 HG SER 105 HG SER 105 4.112 -15.563 2.093 831 H VAL 106 H VAL 106 4.676 -11.565 -0.756 832 HA VAL 106 HA VAL 106 5.452 -9.649 0.278 833 HB VAL 106 HB VAL 106 3.724 -8.541 1.434 834 1HG1 VAL 106 1HG1 VAL 106 2.192 -10.558 -0.175 835 2HG1 VAL 106 2HG1 VAL 106 3.264 -9.377 -0.931 836 3HG1 VAL 106 3HG1 VAL 106 1.882 -8.833 0.021 837 1HG2 VAL 106 1HG2 VAL 106 1.707 -10.088 2.201 838 2HG2 VAL 106 2HG2 VAL 106 3.058 -9.711 3.269 839 3HG2 VAL 106 3HG2 VAL 106 3.014 -11.249 2.411 840 H GLU 107 H GLU 107 6.788 -11.885 1.445 841 HA GLU 107 HA GLU 107 6.709 -11.709 4.286 842 1HB GLU 107 2HB GLU 107 7.696 -13.537 2.598 843 2HB GLU 107 1HB GLU 107 9.172 -12.641 2.928 844 1HG GLU 107 2HG GLU 107 8.659 -12.956 5.379 845 2HG GLU 107 1HG GLU 107 7.417 -14.100 4.872 846 H ARG 108 H ARG 108 8.976 -10.535 1.805 847 HA ARG 108 HA ARG 108 10.659 -9.092 3.525 848 1HB ARG 108 2HB ARG 108 9.995 -8.870 0.602 849 2HB ARG 108 1HB ARG 108 11.029 -7.671 1.368 850 1HG ARG 108 2HG ARG 108 11.539 -10.636 1.240 851 2HG ARG 108 1HG ARG 108 12.353 -9.389 0.293 852 1HD ARG 108 2HD ARG 108 13.059 -8.370 2.502 853 2HD ARG 108 1HD ARG 108 12.495 -9.858 3.261 854 HE ARG 108 HE ARG 108 14.356 -10.932 2.466 855 1HH1 ARG 108 1HH1 ARG 108 14.015 -7.876 0.814 856 2HH1 ARG 108 2HH1 ARG 108 15.561 -7.981 0.039 857 1HH2 ARG 108 1HH2 ARG 108 16.389 -11.071 1.450 858 2HH2 ARG 108 2HH2 ARG 108 16.908 -9.796 0.398 859 H PHE 109 H PHE 109 7.569 -8.399 2.083 860 HA PHE 109 HA PHE 109 7.430 -5.629 2.546 861 1HB PHE 109 2HB PHE 109 5.788 -6.531 1.104 862 2HB PHE 109 1HB PHE 109 5.375 -7.813 2.233 863 HD1 PHE 109 1HD PHE 109 5.045 -4.201 1.563 864 HD2 PHE 109 2HD PHE 109 3.701 -7.511 3.875 865 HE1 PHE 109 1HE PHE 109 3.169 -2.849 2.399 866 HE2 PHE 109 2HE PHE 109 1.822 -6.165 4.717 867 HZ PHE 109 HZ PHE 109 1.553 -3.830 3.979 868 H LEU 110 H LEU 110 6.779 -8.445 4.524 869 HA LEU 110 HA LEU 110 5.501 -7.292 6.702 870 1HB LEU 110 2HB LEU 110 6.155 -9.758 6.126 871 2HB LEU 110 1HB LEU 110 7.553 -9.400 7.118 872 HG LEU 110 HG LEU 110 4.732 -9.014 8.089 873 1HD1 LEU 110 1HD1 LEU 110 4.812 -11.144 9.116 874 2HD1 LEU 110 2HD1 LEU 110 6.497 -11.379 8.652 875 3HD1 LEU 110 3HD1 LEU 110 5.236 -11.382 7.420 876 1HD2 LEU 110 1HD2 LEU 110 7.448 -8.761 9.235 877 2HD2 LEU 110 2HD2 LEU 110 6.207 -9.470 10.268 878 3HD2 LEU 110 3HD2 LEU 110 5.977 -7.857 9.592 879 H LEU 111 H LEU 111 8.971 -8.023 6.431 880 HA LEU 111 HA LEU 111 9.761 -6.680 8.754 881 1HB LEU 111 2HB LEU 111 11.382 -7.185 6.260 882 2HB LEU 111 1HB LEU 111 12.029 -6.785 7.839 883 HG LEU 111 HG LEU 111 10.524 -9.008 8.397 884 1HD1 LEU 111 1HD1 LEU 111 11.497 -9.159 5.580 885 2HD1 LEU 111 2HD1 LEU 111 9.986 -9.736 6.281 886 3HD1 LEU 111 3HD1 LEU 111 11.488 -10.609 6.583 887 1HD2 LEU 111 1HD2 LEU 111 12.822 -8.470 9.142 888 2HD2 LEU 111 2HD2 LEU 111 13.422 -8.986 7.566 889 3HD2 LEU 111 3HD2 LEU 111 12.634 -10.148 8.633 890 H THR 112 H THR 112 9.747 -5.556 5.375 891 HA THR 112 HA THR 112 10.874 -3.033 5.855 892 HB THR 112 HB THR 112 8.920 -3.874 3.703 893 HG1 THR 112 1HG THR 112 10.793 -5.095 3.626 894 1HG2 THR 112 1HG2 THR 112 9.600 -2.049 2.404 895 2HG2 THR 112 2HG2 THR 112 10.911 -1.642 3.512 896 3HG2 THR 112 3HG2 THR 112 9.235 -1.382 3.995 897 H ILE 113 H ILE 113 7.534 -4.151 5.917 898 HA ILE 113 HA ILE 113 6.152 -1.783 6.081 899 HB ILE 113 HB ILE 113 5.674 -4.530 7.084 900 1HG1 ILE 113 2HG1 ILE 113 5.050 -3.811 4.813 901 2HG1 ILE 113 1HG1 ILE 113 3.641 -4.296 5.751 902 1HG2 ILE 113 1HG2 ILE 113 4.175 -2.141 8.121 903 2HG2 ILE 113 2HG2 ILE 113 4.945 -3.434 9.040 904 3HG2 ILE 113 3HG2 ILE 113 3.489 -3.766 8.101 905 1HD1 ILE 113 1HD1 ILE 113 3.755 -1.617 6.242 906 2HD1 ILE 113 2HD1 ILE 113 2.752 -2.392 5.016 907 3HD1 ILE 113 3HD1 ILE 113 4.322 -1.718 4.574 908 H LYS 114 H LYS 114 7.486 -3.619 8.833 909 HA LYS 114 HA LYS 114 6.712 -2.044 10.919 910 1HB LYS 114 2HB LYS 114 8.149 -4.189 10.893 911 2HB LYS 114 1HB LYS 114 9.518 -3.091 10.791 912 1HG LYS 114 2HG LYS 114 7.479 -2.710 12.934 913 2HG LYS 114 1HG LYS 114 8.707 -3.967 13.101 914 1HD LYS 114 2HD LYS 114 9.280 -1.051 12.577 915 2HD LYS 114 1HD LYS 114 9.358 -1.827 14.160 916 1HE LYS 114 2HE LYS 114 10.883 -3.319 12.228 917 2HE LYS 114 1HE LYS 114 11.396 -1.632 12.247 918 1HZ LYS 114 1HZ LYS 114 11.260 -2.111 14.849 919 2HZ LYS 114 2HZ LYS 114 12.662 -2.377 13.938 920 3HZ LYS 114 3HZ LYS 114 11.636 -3.670 14.309 921 H HIS 115 H HIS 115 9.732 -1.677 9.084 922 HA HIS 115 HA HIS 115 10.621 0.667 10.279 923 1HB HIS 115 2HB HIS 115 11.156 -0.746 7.754 924 2HB HIS 115 1HB HIS 115 11.565 0.966 7.767 925 HD1 HIS 115 1HD HIS 115 13.904 -0.796 7.476 926 HD2 HIS 115 2HD HIS 115 12.349 0.145 11.213 927 HE1 HIS 115 1HE HIS 115 15.784 -1.179 9.102 928 HE2 HIS 115 2HE HIS 115 14.847 -0.513 11.344 929 H ALA 116 H ALA 116 8.131 0.171 7.905 930 HA ALA 116 HA ALA 116 7.996 2.805 6.887 931 1HB ALA 116 1HB ALA 116 5.445 1.392 6.992 932 2HB ALA 116 2HB ALA 116 6.757 0.427 6.316 933 3HB ALA 116 3HB ALA 116 6.355 1.990 5.605 934 H PHE 117 H PHE 117 6.553 1.234 9.683 935 HA PHE 117 HA PHE 117 4.888 3.491 10.339 936 1HB PHE 117 2HB PHE 117 5.507 0.867 11.670 937 2HB PHE 117 1HB PHE 117 4.624 2.126 12.528 938 HD1 PHE 117 1HD PHE 117 2.352 2.584 12.043 939 HD2 PHE 117 2HD PHE 117 4.544 -0.154 9.634 940 HE1 PHE 117 1HE PHE 117 0.257 1.837 10.996 941 HE2 PHE 117 2HE PHE 117 2.454 -0.904 8.582 942 HZ PHE 117 HZ PHE 117 0.304 0.093 9.262 943 H GLU 118 H GLU 118 7.998 2.203 11.346 944 HA GLU 118 HA GLU 118 8.277 4.068 13.523 945 1HB GLU 118 2HB GLU 118 9.673 1.734 12.550 946 2HB GLU 118 1HB GLU 118 10.789 3.022 12.983 947 1HG GLU 118 2HG GLU 118 8.601 2.153 14.833 948 2HG GLU 118 1HG GLU 118 10.156 1.324 14.779 949 H GLU 119 H GLU 119 9.969 3.579 10.425 950 HA GLU 119 HA GLU 119 11.410 6.030 10.633 951 1HB GLU 119 2HB GLU 119 10.931 4.323 8.188 952 2HB GLU 119 1HB GLU 119 12.163 5.564 8.363 953 1HG GLU 119 2HG GLU 119 12.480 3.756 10.510 954 2HG GLU 119 1HG GLU 119 12.290 2.804 9.038 955 H TYR 120 H TYR 120 8.210 5.427 9.929 956 HA TYR 120 HA TYR 120 7.925 8.087 8.757 957 1HB TYR 120 2HB TYR 120 7.703 5.799 7.198 958 2HB TYR 120 1HB TYR 120 6.033 6.207 7.580 959 HD1 TYR 120 1HD TYR 120 5.920 9.065 7.558 960 HD2 TYR 120 2HD TYR 120 8.191 6.484 5.051 961 HE1 TYR 120 1HE TYR 120 5.941 10.793 5.808 962 HE2 TYR 120 2HE TYR 120 8.219 8.206 3.294 963 HH TYR 120 HH TYR 120 6.242 11.007 3.433 964 H SER 121 H SER 121 7.480 7.327 11.400 965 HA SER 121 HA SER 121 4.756 6.683 11.898 966 1HB SER 121 2HB SER 121 6.675 6.366 13.516 967 2HB SER 121 1HB SER 121 6.642 8.109 13.782 968 HG SER 121 HG SER 121 5.345 7.285 15.332 Start of MODEL 30 1 1H MET 1 1HT MET 1 -0.030 1.686 17.841 2 2H MET 1 2HT MET 1 -1.139 0.376 17.846 3 3H MET 1 3HT MET 1 -1.423 1.748 18.838 4 HA MET 1 HA MET 1 -2.756 1.571 16.764 5 1HB MET 1 2HB MET 1 -2.341 3.611 18.186 6 2HB MET 1 1HB MET 1 -1.027 4.029 17.095 7 1HG MET 1 2HG MET 1 -2.590 5.226 16.041 8 2HG MET 1 1HG MET 1 -3.048 3.677 15.336 9 1HE MET 1 1HE MET 1 -4.530 2.077 17.534 10 2HE MET 1 2HE MET 1 -5.132 2.342 15.898 11 3HE MET 1 3HE MET 1 -6.184 2.634 17.283 12 H LYS 2 H LYS 2 -1.878 0.095 15.224 13 HA LYS 2 HA LYS 2 -0.251 1.436 13.180 14 1HB LYS 2 2HB LYS 2 0.112 -1.482 13.823 15 2HB LYS 2 1HB LYS 2 1.145 -0.443 12.852 16 1HG LYS 2 2HG LYS 2 0.776 0.232 15.722 17 2HG LYS 2 1HG LYS 2 1.798 -1.143 15.302 18 1HD LYS 2 2HD LYS 2 3.019 0.395 13.720 19 2HD LYS 2 1HD LYS 2 2.121 1.728 14.451 20 1HE LYS 2 2HE LYS 2 3.402 1.726 16.288 21 2HE LYS 2 1HE LYS 2 3.380 -0.033 16.408 22 1HZ LYS 2 1HZ LYS 2 5.540 0.210 15.889 23 2HZ LYS 2 2HZ LYS 2 5.325 1.714 15.146 24 3HZ LYS 2 3HZ LYS 2 4.965 0.295 14.301 25 H ARG 3 H ARG 3 -1.186 1.391 11.246 26 HA ARG 3 HA ARG 3 -2.846 -0.879 10.468 27 1HB ARG 3 2HB ARG 3 -3.939 1.887 10.055 28 2HB ARG 3 1HB ARG 3 -4.784 0.347 9.995 29 1HG ARG 3 2HG ARG 3 -5.533 1.180 11.988 30 2HG ARG 3 1HG ARG 3 -4.143 0.237 12.530 31 1HD ARG 3 2HD ARG 3 -3.742 2.202 13.627 32 2HD ARG 3 1HD ARG 3 -2.873 2.510 12.124 33 HE ARG 3 HE ARG 3 -4.350 4.188 11.677 34 1HH1 ARG 3 1HH1 ARG 3 -5.792 2.056 14.034 35 2HH1 ARG 3 2HH1 ARG 3 -7.177 3.064 14.284 36 1HH2 ARG 3 1HH2 ARG 3 -6.172 5.516 12.003 37 2HH2 ARG 3 2HH2 ARG 3 -7.394 5.028 13.130 38 H VAL 4 H VAL 4 -2.649 -1.375 8.345 39 HA VAL 4 HA VAL 4 -1.353 0.628 6.609 40 HB VAL 4 HB VAL 4 -0.913 -2.339 6.324 41 1HG1 VAL 4 1HG1 VAL 4 1.252 -1.223 5.271 42 2HG1 VAL 4 2HG1 VAL 4 0.141 0.128 5.057 43 3HG1 VAL 4 3HG1 VAL 4 -0.232 -1.439 4.343 44 1HG2 VAL 4 1HG2 VAL 4 0.968 -0.419 7.692 45 2HG2 VAL 4 2HG2 VAL 4 1.141 -2.167 7.530 46 3HG2 VAL 4 3HG2 VAL 4 -0.125 -1.498 8.559 47 H LEU 5 H LEU 5 -1.900 0.540 4.373 48 HA LEU 5 HA LEU 5 -4.550 -0.641 3.904 49 1HB LEU 5 2HB LEU 5 -4.361 1.806 3.679 50 2HB LEU 5 1HB LEU 5 -3.146 1.592 2.434 51 HG LEU 5 HG LEU 5 -4.821 0.471 1.009 52 1HD1 LEU 5 1HD1 LEU 5 -7.260 1.006 1.866 53 2HD1 LEU 5 2HD1 LEU 5 -6.477 0.857 3.439 54 3HD1 LEU 5 3HD1 LEU 5 -6.433 -0.489 2.302 55 1HD2 LEU 5 1HD2 LEU 5 -5.172 3.260 1.987 56 2HD2 LEU 5 2HD2 LEU 5 -6.363 2.599 0.867 57 3HD2 LEU 5 3HD2 LEU 5 -4.664 2.673 0.404 58 H VAL 6 H VAL 6 -4.795 -2.244 2.483 59 HA VAL 6 HA VAL 6 -2.529 -2.816 0.672 60 HB VAL 6 HB VAL 6 -4.577 -4.812 1.620 61 1HG1 VAL 6 1HG1 VAL 6 -3.277 -5.139 -0.564 62 2HG1 VAL 6 2HG1 VAL 6 -3.271 -6.458 0.607 63 3HG1 VAL 6 3HG1 VAL 6 -1.872 -5.393 0.470 64 1HG2 VAL 6 1HG2 VAL 6 -3.376 -5.275 3.459 65 2HG2 VAL 6 2HG2 VAL 6 -2.696 -3.663 3.232 66 3HG2 VAL 6 3HG2 VAL 6 -1.838 -5.077 2.618 67 H VAL 7 H VAL 7 -3.212 -1.629 -1.098 68 HA VAL 7 HA VAL 7 -5.872 -1.924 -2.159 69 HB VAL 7 HB VAL 7 -3.452 -0.665 -3.461 70 1HG1 VAL 7 1HG1 VAL 7 -5.436 -1.298 -4.910 71 2HG1 VAL 7 2HG1 VAL 7 -4.925 0.389 -4.962 72 3HG1 VAL 7 3HG1 VAL 7 -6.344 -0.074 -4.021 73 1HG2 VAL 7 1HG2 VAL 7 -5.556 0.507 -1.656 74 2HG2 VAL 7 2HG2 VAL 7 -4.504 1.481 -2.683 75 3HG2 VAL 7 3HG2 VAL 7 -3.810 0.478 -1.409 76 H ASP 8 H ASP 8 -6.502 -3.674 -3.233 77 HA ASP 8 HA ASP 8 -4.886 -4.734 -5.376 78 1HB ASP 8 2HB ASP 8 -3.976 -5.929 -3.417 79 2HB ASP 8 1HB ASP 8 -5.591 -6.501 -3.020 80 H ASP 9 H ASP 9 -6.054 -6.228 -6.722 81 HA ASP 9 HA ASP 9 -8.911 -5.710 -6.672 82 1HB ASP 9 2HB ASP 9 -7.653 -5.451 -8.778 83 2HB ASP 9 1HB ASP 9 -7.228 -7.159 -8.727 84 H GLU 10 H GLU 10 -8.348 -7.258 -4.553 85 HA GLU 10 HA GLU 10 -9.386 -9.895 -5.351 86 1HB GLU 10 2HB GLU 10 -7.158 -9.200 -3.490 87 2HB GLU 10 1HB GLU 10 -8.159 -10.596 -3.113 88 1HG GLU 10 2HG GLU 10 -7.673 -11.347 -5.513 89 2HG GLU 10 1HG GLU 10 -6.386 -10.144 -5.480 90 H GLU 11 H GLU 11 -10.470 -11.040 -3.492 91 HA GLU 11 HA GLU 11 -12.518 -9.375 -2.443 92 1HB GLU 11 2HB GLU 11 -12.359 -12.005 -3.013 93 2HB GLU 11 1HB GLU 11 -12.113 -12.070 -1.273 94 1HG GLU 11 2HG GLU 11 -14.255 -11.659 -0.846 95 2HG GLU 11 1HG GLU 11 -14.327 -10.348 -2.023 96 H SER 12 H SER 12 -12.696 -10.820 0.170 97 HA SER 12 HA SER 12 -11.771 -8.948 1.907 98 1HB SER 12 2HB SER 12 -11.589 -10.970 3.567 99 2HB SER 12 1HB SER 12 -13.156 -10.530 2.890 100 HG SER 12 HG SER 12 -13.182 -12.322 1.755 101 H ILE 13 H ILE 13 -9.791 -8.109 1.918 102 HA ILE 13 HA ILE 13 -7.536 -7.869 2.072 103 HB ILE 13 HB ILE 13 -7.694 -10.590 3.292 104 1HG1 ILE 13 2HG1 ILE 13 -9.258 -8.957 4.330 105 2HG1 ILE 13 1HG1 ILE 13 -8.029 -9.559 5.436 106 1HG2 ILE 13 1HG2 ILE 13 -5.426 -10.179 2.962 107 2HG2 ILE 13 2HG2 ILE 13 -5.700 -9.678 4.631 108 3HG2 ILE 13 3HG2 ILE 13 -5.591 -8.467 3.354 109 1HD1 ILE 13 1HD1 ILE 13 -6.741 -7.414 4.729 110 2HD1 ILE 13 2HD1 ILE 13 -8.044 -7.321 5.914 111 3HD1 ILE 13 3HD1 ILE 13 -8.339 -6.853 4.239 112 H THR 14 H THR 14 -5.410 -8.902 1.427 113 HA THR 14 HA THR 14 -5.752 -10.186 -1.143 114 HB THR 14 HB THR 14 -3.248 -9.913 -1.276 115 HG1 THR 14 1HG THR 14 -2.322 -8.579 0.345 116 1HG2 THR 14 1HG2 THR 14 -3.236 -7.439 -1.350 117 2HG2 THR 14 2HG2 THR 14 -4.852 -7.447 -0.644 118 3HG2 THR 14 3HG2 THR 14 -4.580 -8.166 -2.231 119 H SER 15 H SER 15 -4.186 -12.073 -1.665 120 HA SER 15 HA SER 15 -4.792 -14.177 0.147 121 1HB SER 15 2HB SER 15 -4.321 -14.090 -2.507 122 2HB SER 15 1HB SER 15 -2.747 -14.650 -1.941 123 HG SER 15 HG SER 15 -3.856 -16.489 -2.134 124 H SER 16 H SER 16 -3.677 -14.967 1.787 125 HA SER 16 HA SER 16 -1.925 -15.619 3.099 126 1HB SER 16 2HB SER 16 -0.647 -15.795 0.904 127 2HB SER 16 1HB SER 16 -0.005 -14.194 1.275 128 HG SER 16 HG SER 16 0.314 -16.593 2.739 129 H LEU 17 H LEU 17 -1.830 -12.291 1.901 130 HA LEU 17 HA LEU 17 -0.282 -11.036 3.748 131 1HB LEU 17 2HB LEU 17 -1.718 -10.124 1.782 132 2HB LEU 17 1HB LEU 17 -2.905 -9.820 3.032 133 HG LEU 17 HG LEU 17 -0.484 -8.338 2.366 134 1HD1 LEU 17 1HD1 LEU 17 -2.467 -7.159 2.295 135 2HD1 LEU 17 2HD1 LEU 17 -1.773 -6.672 3.840 136 3HD1 LEU 17 3HD1 LEU 17 -3.063 -7.874 3.794 137 1HD2 LEU 17 1HD2 LEU 17 0.047 -7.724 4.707 138 2HD2 LEU 17 2HD2 LEU 17 0.457 -9.395 4.325 139 3HD2 LEU 17 3HD2 LEU 17 -0.994 -9.033 5.254 140 H SER 18 H SER 18 -3.817 -11.361 4.143 141 HA SER 18 HA SER 18 -4.172 -10.298 6.580 142 1HB SER 18 2HB SER 18 -5.739 -11.814 4.969 143 2HB SER 18 1HB SER 18 -5.505 -12.929 6.316 144 HG SER 18 HG SER 18 -6.320 -11.355 7.707 145 H ALA 19 H ALA 19 -3.451 -13.789 6.221 146 HA ALA 19 HA ALA 19 -3.114 -14.437 8.870 147 1HB ALA 19 1HB ALA 19 -2.963 -15.916 6.772 148 2HB ALA 19 2HB ALA 19 -1.969 -16.342 8.165 149 3HB ALA 19 3HB ALA 19 -1.246 -15.512 6.787 150 H ILE 20 H ILE 20 -0.887 -12.827 6.716 151 HA ILE 20 HA ILE 20 1.348 -12.861 8.505 152 HB ILE 20 HB ILE 20 0.811 -11.246 6.015 153 1HG1 ILE 20 2HG1 ILE 20 2.895 -13.333 6.127 154 2HG1 ILE 20 1HG1 ILE 20 1.223 -13.886 6.158 155 1HG2 ILE 20 1HG2 ILE 20 3.482 -11.195 6.241 156 2HG2 ILE 20 2HG2 ILE 20 3.029 -11.157 7.946 157 3HG2 ILE 20 3HG2 ILE 20 2.426 -9.918 6.845 158 1HD1 ILE 20 1HD1 ILE 20 2.475 -12.134 4.065 159 2HD1 ILE 20 2HD1 ILE 20 0.790 -12.645 4.097 160 3HD1 ILE 20 3HD1 ILE 20 2.070 -13.840 3.895 161 H LEU 21 H LEU 21 -0.315 -10.020 7.151 162 HA LEU 21 HA LEU 21 0.589 -8.175 8.983 163 1HB LEU 21 2HB LEU 21 -0.590 -6.783 7.719 164 2HB LEU 21 1HB LEU 21 -1.050 -8.173 6.784 165 HG LEU 21 HG LEU 21 -2.952 -6.786 7.318 166 1HD1 LEU 21 1HD1 LEU 21 -2.685 -9.528 7.649 167 2HD1 LEU 21 2HD1 LEU 21 -4.169 -8.622 7.359 168 3HD1 LEU 21 3HD1 LEU 21 -3.671 -8.992 9.009 169 1HD2 LEU 21 1HD2 LEU 21 -3.125 -7.435 10.126 170 2HD2 LEU 21 2HD2 LEU 21 -3.264 -5.872 9.318 171 3HD2 LEU 21 3HD2 LEU 21 -1.680 -6.494 9.765 172 H GLU 22 H GLU 22 -1.970 -10.509 9.338 173 HA GLU 22 HA GLU 22 -3.080 -9.340 11.690 174 1HB GLU 22 2HB GLU 22 -4.143 -11.019 10.022 175 2HB GLU 22 1HB GLU 22 -3.336 -12.239 10.999 176 1HG GLU 22 2HG GLU 22 -4.567 -10.659 12.867 177 2HG GLU 22 1HG GLU 22 -5.721 -10.680 11.534 178 H GLU 23 H GLU 23 -0.425 -11.469 10.988 179 HA GLU 23 HA GLU 23 -0.179 -12.446 13.687 180 1HB GLU 23 2HB GLU 23 0.580 -13.942 12.019 181 2HB GLU 23 1HB GLU 23 1.490 -12.688 11.191 182 1HG GLU 23 2HG GLU 23 3.306 -13.061 12.407 183 2HG GLU 23 1HG GLU 23 2.391 -13.078 13.915 184 H GLU 24 H GLU 24 1.275 -9.960 11.662 185 HA GLU 24 HA GLU 24 3.351 -9.240 13.440 186 1HB GLU 24 2HB GLU 24 2.017 -7.867 11.138 187 2HB GLU 24 1HB GLU 24 3.186 -7.010 12.133 188 1HG GLU 24 2HG GLU 24 3.755 -9.611 10.736 189 2HG GLU 24 1HG GLU 24 4.123 -8.023 10.064 190 H GLY 25 H GLY 25 -0.024 -8.414 13.262 191 1HA GLY 25 2HA GLY 25 -1.240 -7.616 15.128 192 2HA GLY 25 1HA GLY 25 0.250 -6.951 15.776 193 H TYR 26 H TYR 26 -1.150 -6.560 12.547 194 HA TYR 26 HA TYR 26 -1.245 -3.657 13.042 195 1HB TYR 26 2HB TYR 26 -0.696 -5.214 10.520 196 2HB TYR 26 1HB TYR 26 -1.094 -3.504 10.501 197 HD1 TYR 26 1HD TYR 26 0.433 -1.906 11.734 198 HD2 TYR 26 2HD TYR 26 1.494 -5.944 10.932 199 HE1 TYR 26 1HE TYR 26 2.799 -1.347 12.088 200 HE2 TYR 26 2HE TYR 26 3.866 -5.398 11.282 201 HH TYR 26 HH TYR 26 5.064 -2.332 11.297 202 H HIS 27 H HIS 27 -2.733 -2.679 11.154 203 HA HIS 27 HA HIS 27 -5.293 -4.136 11.206 204 1HB HIS 27 2HB HIS 27 -4.922 -1.940 12.685 205 2HB HIS 27 1HB HIS 27 -5.310 -1.157 11.157 206 HD1 HIS 27 1HD HIS 27 -6.826 -2.974 13.986 207 HD2 HIS 27 2HD HIS 27 -7.953 -1.701 10.195 208 HE1 HIS 27 1HE HIS 27 -9.334 -3.148 13.937 209 HE2 HIS 27 2HE HIS 27 -9.987 -2.440 11.609 210 HA PRO 28 HA PRO 28 -4.605 -3.200 6.850 211 1HB PRO 28 2HB PRO 28 -5.613 -5.460 5.859 212 2HB PRO 28 1HB PRO 28 -4.038 -5.409 6.653 213 1HG PRO 28 2HG PRO 28 -6.598 -6.518 7.625 214 2HG PRO 28 1HG PRO 28 -4.944 -6.966 8.054 215 1HD PRO 28 2HD PRO 28 -6.733 -5.264 9.500 216 2HD PRO 28 1HD PRO 28 -5.056 -5.674 9.906 217 H ASP 29 H ASP 29 -5.871 -1.949 5.678 218 HA ASP 29 HA ASP 29 -8.778 -2.272 5.935 219 1HB ASP 29 2HB ASP 29 -7.558 -0.041 6.517 220 2HB ASP 29 1HB ASP 29 -7.598 0.201 4.775 221 H THR 30 H THR 30 -6.549 -3.281 4.018 222 HA THR 30 HA THR 30 -6.332 -3.072 1.590 223 HB THR 30 HB THR 30 -6.757 -5.281 1.059 224 HG1 THR 30 1HG THR 30 -8.858 -5.629 1.173 225 1HG2 THR 30 1HG2 THR 30 -6.247 -6.624 2.929 226 2HG2 THR 30 2HG2 THR 30 -6.934 -5.446 4.047 227 3HG2 THR 30 3HG2 THR 30 -5.444 -5.076 3.185 228 H ALA 31 H ALA 31 -7.132 -2.210 -0.139 229 HA ALA 31 HA ALA 31 -10.033 -1.765 -0.323 230 1HB ALA 31 1HB ALA 31 -9.632 0.236 -1.284 231 2HB ALA 31 2HB ALA 31 -8.256 -0.365 -2.209 232 3HB ALA 31 3HB ALA 31 -8.057 0.064 -0.510 233 H LYS 32 H LYS 32 -10.119 -1.221 -3.095 234 HA LYS 32 HA LYS 32 -9.699 -3.931 -4.159 235 1HB LYS 32 2HB LYS 32 -11.593 -1.911 -5.333 236 2HB LYS 32 1HB LYS 32 -11.590 -3.657 -5.536 237 1HG LYS 32 2HG LYS 32 -12.269 -3.931 -3.206 238 2HG LYS 32 1HG LYS 32 -12.271 -2.179 -3.004 239 1HD LYS 32 2HD LYS 32 -14.417 -2.228 -3.618 240 2HD LYS 32 1HD LYS 32 -13.847 -2.597 -5.246 241 1HE LYS 32 2HE LYS 32 -13.785 -5.040 -3.936 242 2HE LYS 32 1HE LYS 32 -15.260 -4.274 -3.347 243 1HZ LYS 32 1HZ LYS 32 -16.206 -4.302 -5.398 244 2HZ LYS 32 2HZ LYS 32 -15.222 -5.669 -5.556 245 3HZ LYS 32 3HZ LYS 32 -14.732 -4.194 -6.224 246 H THR 33 H THR 33 -9.430 -0.495 -4.923 247 HA THR 33 HA THR 33 -7.208 -1.038 -6.681 248 HB THR 33 HB THR 33 -8.525 0.561 -8.407 249 HG1 THR 33 1HG THR 33 -10.662 -0.053 -8.517 250 1HG2 THR 33 1HG2 THR 33 -7.540 -1.884 -8.618 251 2HG2 THR 33 2HG2 THR 33 -8.602 -1.187 -9.842 252 3HG2 THR 33 3HG2 THR 33 -9.255 -2.297 -8.638 253 H LEU 34 H LEU 34 -6.755 1.291 -7.859 254 HA LEU 34 HA LEU 34 -5.909 2.966 -5.771 255 1HB LEU 34 2HB LEU 34 -6.150 3.383 -8.742 256 2HB LEU 34 1HB LEU 34 -5.536 4.635 -7.677 257 HG LEU 34 HG LEU 34 -4.326 1.887 -7.996 258 1HD1 LEU 34 1HD1 LEU 34 -2.895 2.696 -9.537 259 2HD1 LEU 34 2HD1 LEU 34 -2.857 4.307 -8.818 260 3HD1 LEU 34 3HD1 LEU 34 -4.209 3.831 -9.847 261 1HD2 LEU 34 1HD2 LEU 34 -3.540 2.407 -5.948 262 2HD2 LEU 34 2HD2 LEU 34 -3.860 4.130 -6.144 263 3HD2 LEU 34 3HD2 LEU 34 -2.418 3.413 -6.864 264 H ARG 35 H ARG 35 -8.632 3.261 -8.033 265 HA ARG 35 HA ARG 35 -9.566 5.746 -7.113 266 1HB ARG 35 2HB ARG 35 -10.265 4.475 -9.216 267 2HB ARG 35 1HB ARG 35 -11.326 3.538 -8.175 268 1HG ARG 35 2HG ARG 35 -12.701 5.348 -7.728 269 2HG ARG 35 1HG ARG 35 -11.468 6.524 -8.189 270 1HD ARG 35 2HD ARG 35 -13.240 6.382 -9.867 271 2HD ARG 35 1HD ARG 35 -11.690 5.861 -10.521 272 HE ARG 35 HE ARG 35 -12.841 3.549 -9.697 273 1HH1 ARG 35 1HH1 ARG 35 -13.889 6.153 -11.771 274 2HH1 ARG 35 2HH1 ARG 35 -14.890 5.136 -12.750 275 1HH2 ARG 35 1HH2 ARG 35 -14.159 2.210 -10.986 276 2HH2 ARG 35 2HH2 ARG 35 -15.044 2.899 -12.306 277 H GLU 36 H GLU 36 -10.420 2.430 -6.195 278 HA GLU 36 HA GLU 36 -12.320 3.169 -4.221 279 1HB GLU 36 2HB GLU 36 -11.718 0.840 -5.432 280 2HB GLU 36 1HB GLU 36 -10.856 0.606 -3.917 281 1HG GLU 36 2HG GLU 36 -13.042 -0.348 -3.735 282 2HG GLU 36 1HG GLU 36 -12.948 1.073 -2.695 283 H ALA 37 H ALA 37 -8.851 2.755 -4.232 284 HA ALA 37 HA ALA 37 -8.529 2.642 -1.402 285 1HB ALA 37 1HB ALA 37 -6.188 2.869 -1.810 286 2HB ALA 37 2HB ALA 37 -6.474 3.529 -3.420 287 3HB ALA 37 3HB ALA 37 -6.848 1.839 -3.081 288 H GLU 38 H GLU 38 -8.762 5.215 -3.755 289 HA GLU 38 HA GLU 38 -7.810 7.288 -2.049 290 1HB GLU 38 2HB GLU 38 -9.517 7.348 -4.538 291 2HB GLU 38 1HB GLU 38 -8.963 8.794 -3.706 292 1HG GLU 38 2HG GLU 38 -6.725 8.387 -4.242 293 2HG GLU 38 1HG GLU 38 -7.044 6.707 -4.672 294 H LYS 39 H LYS 39 -10.972 5.941 -2.819 295 HA LYS 39 HA LYS 39 -12.511 7.819 -1.375 296 1HB LYS 39 2HB LYS 39 -13.585 6.417 -3.007 297 2HB LYS 39 1HB LYS 39 -13.056 4.958 -2.182 298 1HG LYS 39 2HG LYS 39 -14.804 6.899 -0.745 299 2HG LYS 39 1HG LYS 39 -15.507 5.802 -1.935 300 1HD LYS 39 2HD LYS 39 -14.029 4.049 -0.557 301 2HD LYS 39 1HD LYS 39 -14.327 5.230 0.720 302 1HE LYS 39 2HE LYS 39 -16.806 5.003 -0.326 303 2HE LYS 39 1HE LYS 39 -16.184 3.382 -0.632 304 1HZ LYS 39 1HZ LYS 39 -17.323 3.611 1.527 305 2HZ LYS 39 2HZ LYS 39 -16.141 4.718 2.019 306 3HZ LYS 39 3HZ LYS 39 -15.713 3.115 1.685 307 H LYS 40 H LYS 40 -10.822 4.880 -0.474 308 HA LYS 40 HA LYS 40 -11.979 4.695 2.137 309 1HB LYS 40 2HB LYS 40 -9.577 3.403 0.863 310 2HB LYS 40 1HB LYS 40 -10.057 3.090 2.524 311 1HG LYS 40 2HG LYS 40 -12.374 2.548 1.409 312 2HG LYS 40 1HG LYS 40 -11.368 2.278 -0.015 313 1HD LYS 40 2HD LYS 40 -10.036 0.654 1.200 314 2HD LYS 40 1HD LYS 40 -10.954 0.971 2.673 315 1HE LYS 40 2HE LYS 40 -12.933 0.365 0.894 316 2HE LYS 40 1HE LYS 40 -11.624 -0.681 0.347 317 1HZ LYS 40 1HZ LYS 40 -12.866 -0.597 3.036 318 2HZ LYS 40 2HZ LYS 40 -11.424 -1.421 2.715 319 3HZ LYS 40 3HZ LYS 40 -12.855 -1.886 1.940 320 H ILE 41 H ILE 41 -9.053 6.089 0.770 321 HA ILE 41 HA ILE 41 -7.892 6.758 3.303 322 HB ILE 41 HB ILE 41 -7.242 7.836 0.557 323 1HG1 ILE 41 2HG1 ILE 41 -5.536 5.838 1.961 324 2HG1 ILE 41 1HG1 ILE 41 -7.026 5.262 1.222 325 1HG2 ILE 41 1HG2 ILE 41 -6.109 8.303 3.237 326 2HG2 ILE 41 2HG2 ILE 41 -6.109 9.334 1.805 327 3HG2 ILE 41 3HG2 ILE 41 -4.944 8.018 1.943 328 1HD1 ILE 41 1HD1 ILE 41 -6.260 6.318 -0.913 329 2HD1 ILE 41 2HD1 ILE 41 -5.281 4.964 -0.350 330 3HD1 ILE 41 3HD1 ILE 41 -4.710 6.618 -0.126 331 H LYS 42 H LYS 42 -10.130 8.274 1.126 332 HA LYS 42 HA LYS 42 -9.793 10.939 2.057 333 1HB LYS 42 2HB LYS 42 -11.033 9.844 -0.069 334 2HB LYS 42 1HB LYS 42 -12.415 10.173 0.965 335 1HG LYS 42 2HG LYS 42 -10.671 12.445 0.921 336 2HG LYS 42 1HG LYS 42 -11.064 11.953 -0.726 337 1HD LYS 42 2HD LYS 42 -13.494 11.778 0.512 338 2HD LYS 42 1HD LYS 42 -12.760 13.154 1.340 339 1HE LYS 42 2HE LYS 42 -13.412 14.396 -0.391 340 2HE LYS 42 1HE LYS 42 -12.162 13.582 -1.331 341 1HZ LYS 42 1HZ LYS 42 -14.149 11.812 -1.484 342 2HZ LYS 42 2HZ LYS 42 -13.900 13.038 -2.623 343 3HZ LYS 42 3HZ LYS 42 -15.042 13.245 -1.394 344 H GLU 43 H GLU 43 -11.078 8.255 3.587 345 HA GLU 43 HA GLU 43 -12.852 9.914 5.238 346 1HB GLU 43 2HB GLU 43 -12.884 6.929 4.799 347 2HB GLU 43 1HB GLU 43 -13.946 7.793 5.901 348 1HG GLU 43 2HG GLU 43 -14.898 9.026 4.024 349 2HG GLU 43 1HG GLU 43 -13.829 8.168 2.916 350 H LEU 44 H LEU 44 -10.155 7.699 5.247 351 HA LEU 44 HA LEU 44 -9.773 8.271 8.107 352 1HB LEU 44 2HB LEU 44 -10.338 6.060 8.280 353 2HB LEU 44 1HB LEU 44 -9.774 5.674 6.668 354 HG LEU 44 HG LEU 44 -7.779 6.316 8.805 355 1HD1 LEU 44 1HD1 LEU 44 -8.684 3.507 8.385 356 2HD1 LEU 44 2HD1 LEU 44 -9.543 4.546 9.523 357 3HD1 LEU 44 3HD1 LEU 44 -7.824 4.222 9.749 358 1HD2 LEU 44 1HD2 LEU 44 -7.359 4.155 6.865 359 2HD2 LEU 44 2HD2 LEU 44 -6.286 5.464 7.358 360 3HD2 LEU 44 3HD2 LEU 44 -7.546 5.760 6.159 361 H PHE 45 H PHE 45 -7.558 8.247 8.829 362 HA PHE 45 HA PHE 45 -5.744 9.201 6.748 363 1HB PHE 45 2HB PHE 45 -6.048 10.591 8.759 364 2HB PHE 45 1HB PHE 45 -5.468 9.264 9.762 365 HD1 PHE 45 1HD PHE 45 -4.545 11.988 7.564 366 HD2 PHE 45 2HD PHE 45 -3.107 8.567 9.645 367 HE1 PHE 45 1HE PHE 45 -2.238 12.793 7.284 368 HE2 PHE 45 2HE PHE 45 -0.796 9.366 9.371 369 HZ PHE 45 HZ PHE 45 -0.360 11.482 8.188 370 H PHE 46 H PHE 46 -4.884 7.442 5.751 371 HA PHE 46 HA PHE 46 -3.967 5.151 7.228 372 1HB PHE 46 2HB PHE 46 -3.956 5.954 4.337 373 2HB PHE 46 1HB PHE 46 -3.011 4.572 4.881 374 HD1 PHE 46 1HD PHE 46 -6.195 5.702 3.812 375 HD2 PHE 46 2HD PHE 46 -4.258 2.750 6.184 376 HE1 PHE 46 1HE PHE 46 -8.194 4.273 3.659 377 HE2 PHE 46 2HE PHE 46 -6.250 1.316 6.036 378 HZ PHE 46 HZ PHE 46 -8.223 2.080 4.774 379 HA PRO 47 HA PRO 47 0.122 6.928 7.791 380 1HB PRO 47 2HB PRO 47 1.098 5.069 9.444 381 2HB PRO 47 1HB PRO 47 -0.156 6.195 9.978 382 1HG PRO 47 2HG PRO 47 -0.408 3.343 9.128 383 2HG PRO 47 1HG PRO 47 -1.220 4.190 10.454 384 1HD PRO 47 2HD PRO 47 -2.344 3.690 7.974 385 2HD PRO 47 1HD PRO 47 -2.879 4.959 9.092 386 H VAL 48 H VAL 48 -0.646 3.773 6.564 387 HA VAL 48 HA VAL 48 1.748 3.788 4.929 388 HB VAL 48 HB VAL 48 1.060 1.264 6.399 389 1HG1 VAL 48 1HG1 VAL 48 2.702 1.718 4.293 390 2HG1 VAL 48 2HG1 VAL 48 2.915 0.411 5.457 391 3HG1 VAL 48 3HG1 VAL 48 3.824 1.911 5.639 392 1HG2 VAL 48 1HG2 VAL 48 1.463 2.931 8.097 393 2HG2 VAL 48 2HG2 VAL 48 2.956 3.419 7.296 394 3HG2 VAL 48 3HG2 VAL 48 2.823 1.810 8.010 395 H ILE 49 H ILE 49 1.350 3.035 2.950 396 HA ILE 49 HA ILE 49 -1.153 1.571 2.466 397 HB ILE 49 HB ILE 49 0.195 3.363 0.450 398 1HG1 ILE 49 2HG1 ILE 49 -0.475 4.689 2.439 399 2HG1 ILE 49 1HG1 ILE 49 -1.401 5.108 1.001 400 1HG2 ILE 49 1HG2 ILE 49 -2.282 1.755 0.564 401 2HG2 ILE 49 2HG2 ILE 49 -1.223 2.117 -0.799 402 3HG2 ILE 49 3HG2 ILE 49 -2.385 3.321 -0.242 403 1HD1 ILE 49 1HD1 ILE 49 -2.292 3.499 3.371 404 2HD1 ILE 49 2HD1 ILE 49 -3.197 3.568 1.859 405 3HD1 ILE 49 3HD1 ILE 49 -2.926 5.040 2.791 406 H VAL 50 H VAL 50 -1.078 0.151 0.537 407 HA VAL 50 HA VAL 50 1.539 -0.604 -0.432 408 HB VAL 50 HB VAL 50 -0.134 -2.568 1.142 409 1HG1 VAL 50 1HG1 VAL 50 2.173 -3.864 0.662 410 2HG1 VAL 50 2HG1 VAL 50 2.050 -2.910 -0.816 411 3HG1 VAL 50 3HG1 VAL 50 0.747 -4.009 -0.365 412 1HG2 VAL 50 1HG2 VAL 50 2.115 -2.698 2.415 413 2HG2 VAL 50 2HG2 VAL 50 1.021 -1.352 2.735 414 3HG2 VAL 50 3HG2 VAL 50 2.421 -1.121 1.690 415 H LEU 51 H LEU 51 0.951 -0.290 -2.493 416 HA LEU 51 HA LEU 51 -1.560 -1.067 -3.559 417 1HB LEU 51 2HB LEU 51 0.049 0.715 -4.448 418 2HB LEU 51 1HB LEU 51 0.926 -0.612 -5.186 419 HG LEU 51 HG LEU 51 -0.946 -1.179 -6.577 420 1HD1 LEU 51 1HD1 LEU 51 -2.904 -0.924 -5.444 421 2HD1 LEU 51 2HD1 LEU 51 -2.940 0.553 -6.407 422 3HD1 LEU 51 3HD1 LEU 51 -2.418 0.611 -4.723 423 1HD2 LEU 51 1HD2 LEU 51 -0.147 1.696 -6.488 424 2HD2 LEU 51 2HD2 LEU 51 -1.360 1.156 -7.649 425 3HD2 LEU 51 3HD2 LEU 51 0.257 0.453 -7.671 426 H ASP 52 H ASP 52 -1.737 -2.551 -5.443 427 HA ASP 52 HA ASP 52 0.076 -4.761 -5.638 428 1HB ASP 52 2HB ASP 52 -1.572 -5.017 -3.529 429 2HB ASP 52 1HB ASP 52 -2.619 -5.667 -4.787 430 H VAL 53 H VAL 53 -0.114 -3.778 -7.770 431 HA VAL 53 HA VAL 53 -2.491 -3.765 -9.266 432 HB VAL 53 HB VAL 53 0.336 -4.028 -10.298 433 1HG1 VAL 53 1HG1 VAL 53 -0.484 -3.142 -12.360 434 2HG1 VAL 53 2HG1 VAL 53 -2.086 -2.879 -11.670 435 3HG1 VAL 53 3HG1 VAL 53 -1.493 -4.520 -11.923 436 1HG2 VAL 53 1HG2 VAL 53 0.298 -2.109 -8.922 437 2HG2 VAL 53 2HG2 VAL 53 -1.292 -1.625 -9.512 438 3HG2 VAL 53 3HG2 VAL 53 0.110 -1.522 -10.575 439 H TRP 54 H TRP 54 -3.338 -5.909 -8.592 440 HA TRP 54 HA TRP 54 -2.119 -8.311 -9.484 441 1HB TRP 54 2HB TRP 54 -3.767 -8.378 -7.708 442 2HB TRP 54 1HB TRP 54 -4.992 -7.682 -8.762 443 HD1 TRP 54 HD TRP 54 -6.704 -9.502 -9.289 444 HE1 TRP 54 1HE TRP 54 -6.619 -11.990 -9.938 445 HE3 TRP 54 3HE TRP 54 -1.657 -10.244 -8.990 446 HZ2 TRP 54 2HZ TRP 54 -4.668 -14.003 -10.278 447 HZ3 TRP 54 3HZ TRP 54 -0.761 -12.481 -9.492 448 HH2 TRP 54 HH TRP 54 -2.237 -14.320 -10.122 449 H MET 55 H MET 55 -5.294 -7.214 -10.618 450 HA MET 55 HA MET 55 -4.397 -7.143 -13.365 451 1HB MET 55 2HB MET 55 -6.119 -9.331 -12.274 452 2HB MET 55 1HB MET 55 -6.393 -8.764 -13.915 453 1HG MET 55 2HG MET 55 -3.644 -9.133 -13.748 454 2HG MET 55 1HG MET 55 -4.337 -10.502 -12.880 455 1HE MET 55 1HE MET 55 -3.803 -8.802 -16.379 456 2HE MET 55 2HE MET 55 -3.642 -10.354 -17.198 457 3HE MET 55 3HE MET 55 -2.664 -10.003 -15.773 458 HA PRO 56 HA PRO 56 -8.251 -4.651 -12.506 459 1HB PRO 56 2HB PRO 56 -7.357 -2.502 -11.088 460 2HB PRO 56 1HB PRO 56 -7.903 -4.001 -10.335 461 1HG PRO 56 2HG PRO 56 -5.229 -2.901 -10.427 462 2HG PRO 56 1HG PRO 56 -5.805 -4.327 -9.552 463 1HD PRO 56 2HD PRO 56 -4.435 -4.149 -12.160 464 2HD PRO 56 1HD PRO 56 -4.566 -5.519 -11.044 465 H ASP 57 H ASP 57 -5.639 -2.271 -12.352 466 HA ASP 57 HA ASP 57 -5.511 -1.713 -15.123 467 1HB ASP 57 2HB ASP 57 -7.480 -0.218 -13.485 468 2HB ASP 57 1HB ASP 57 -6.519 0.704 -14.638 469 H GLY 58 H GLY 58 -5.359 -0.138 -11.938 470 1HA GLY 58 2HA GLY 58 -3.735 1.149 -10.952 471 2HA GLY 58 1HA GLY 58 -2.605 0.103 -11.794 472 H ASP 59 H ASP 59 -1.102 1.378 -12.650 473 HA ASP 59 HA ASP 59 -0.104 2.972 -13.925 474 1HB ASP 59 2HB ASP 59 -2.782 2.689 -15.201 475 2HB ASP 59 1HB ASP 59 -1.797 4.072 -15.668 476 H GLY 60 H GLY 60 -0.906 3.765 -11.418 477 1HA GLY 60 2HA GLY 60 -1.925 6.503 -11.853 478 2HA GLY 60 1HA GLY 60 -2.105 5.607 -10.353 479 H VAL 61 H VAL 61 0.451 6.804 -12.531 480 HA VAL 61 HA VAL 61 2.532 6.757 -10.677 481 HB VAL 61 HB VAL 61 2.106 8.557 -13.065 482 1HG1 VAL 61 1HG1 VAL 61 4.606 8.047 -11.466 483 2HG1 VAL 61 2HG1 VAL 61 3.716 9.566 -11.574 484 3HG1 VAL 61 3HG1 VAL 61 4.533 8.921 -12.997 485 1HG2 VAL 61 1HG2 VAL 61 3.923 6.177 -12.889 486 2HG2 VAL 61 2HG2 VAL 61 3.309 6.997 -14.324 487 3HG2 VAL 61 3HG2 VAL 61 2.227 6.014 -13.339 488 H ASN 62 H ASN 62 0.030 9.134 -11.286 489 HA ASN 62 HA ASN 62 1.235 11.106 -9.549 490 1HB ASN 62 2HB ASN 62 -0.784 11.095 -11.572 491 2HB ASN 62 1HB ASN 62 -1.478 11.761 -10.097 492 1HD2 ASN 62 1HD2 ASN 62 0.700 12.245 -12.695 493 2HD2 ASN 62 2HD2 ASN 62 1.192 13.848 -12.278 494 H PHE 63 H PHE 63 -0.153 8.294 -8.805 495 HA PHE 63 HA PHE 63 -2.125 9.060 -6.895 496 1HB PHE 63 2HB PHE 63 -2.067 6.814 -7.946 497 2HB PHE 63 1HB PHE 63 -0.577 6.467 -7.074 498 HD1 PHE 63 1HD PHE 63 -3.746 8.094 -5.993 499 HD2 PHE 63 2HD PHE 63 -1.045 4.843 -5.501 500 HE1 PHE 63 1HE PHE 63 -5.059 7.301 -4.072 501 HE2 PHE 63 2HE PHE 63 -2.355 4.042 -3.578 502 HZ PHE 63 HZ PHE 63 -4.366 5.273 -2.862 503 H ILE 64 H ILE 64 1.332 8.442 -6.765 504 HA ILE 64 HA ILE 64 1.751 8.172 -4.054 505 HB ILE 64 HB ILE 64 3.524 9.772 -5.900 506 1HG1 ILE 64 2HG1 ILE 64 4.427 7.087 -5.560 507 2HG1 ILE 64 1HG1 ILE 64 2.741 7.032 -6.064 508 1HG2 ILE 64 1HG2 ILE 64 5.128 9.679 -4.327 509 2HG2 ILE 64 2HG2 ILE 64 4.674 8.056 -3.810 510 3HG2 ILE 64 3HG2 ILE 64 3.769 9.451 -3.225 511 1HD1 ILE 64 1HD1 ILE 64 5.100 7.652 -7.591 512 2HD1 ILE 64 2HD1 ILE 64 3.894 8.930 -7.719 513 3HD1 ILE 64 3HD1 ILE 64 3.469 7.271 -8.138 514 H ASP 65 H ASP 65 1.038 11.073 -5.886 515 HA ASP 65 HA ASP 65 1.647 12.892 -3.764 516 1HB ASP 65 2HB ASP 65 1.415 13.296 -6.365 517 2HB ASP 65 1HB ASP 65 -0.270 13.599 -5.950 518 H PHE 66 H PHE 66 -1.191 11.149 -4.835 519 HA PHE 66 HA PHE 66 -3.148 12.551 -3.395 520 1HB PHE 66 2HB PHE 66 -3.791 10.955 -5.092 521 2HB PHE 66 1HB PHE 66 -3.004 9.642 -4.224 522 HD1 PHE 66 1HD PHE 66 -3.979 8.796 -2.119 523 HD2 PHE 66 2HD PHE 66 -5.983 11.669 -4.536 524 HE1 PHE 66 1HE PHE 66 -6.089 8.299 -0.955 525 HE2 PHE 66 2HE PHE 66 -8.096 11.178 -3.376 526 HZ PHE 66 HZ PHE 66 -8.151 9.491 -1.583 527 H ILE 67 H ILE 67 -1.072 9.830 -2.490 528 HA ILE 67 HA ILE 67 -2.176 9.355 0.051 529 HB ILE 67 HB ILE 67 0.597 8.859 -1.036 530 1HG1 ILE 67 2HG1 ILE 67 -0.290 6.445 -0.764 531 2HG1 ILE 67 1HG1 ILE 67 -1.875 7.194 -0.624 532 1HG2 ILE 67 1HG2 ILE 67 1.037 8.988 1.248 533 2HG2 ILE 67 2HG2 ILE 67 0.737 7.270 0.988 534 3HG2 ILE 67 3HG2 ILE 67 -0.522 8.290 1.685 535 1HD1 ILE 67 1HD1 ILE 67 -0.160 7.910 -2.942 536 2HD1 ILE 67 2HD1 ILE 67 -1.917 7.832 -2.816 537 3HD1 ILE 67 3HD1 ILE 67 -0.975 6.345 -2.927 538 H LYS 68 H LYS 68 0.481 11.456 -1.008 539 HA LYS 68 HA LYS 68 1.021 12.438 1.630 540 1HB LYS 68 2HB LYS 68 1.839 13.495 -1.083 541 2HB LYS 68 1HB LYS 68 2.451 14.094 0.452 542 1HG LYS 68 2HG LYS 68 2.724 11.206 0.133 543 2HG LYS 68 1HG LYS 68 3.606 12.144 -1.072 544 1HD LYS 68 2HD LYS 68 4.306 13.527 1.089 545 2HD LYS 68 1HD LYS 68 3.990 11.974 1.867 546 1HE LYS 68 2HE LYS 68 5.578 11.824 -0.599 547 2HE LYS 68 1HE LYS 68 6.353 12.689 0.728 548 1HZ LYS 68 1HZ LYS 68 5.596 10.623 2.083 549 2HZ LYS 68 2HZ LYS 68 6.993 10.541 1.132 550 3HZ LYS 68 3HZ LYS 68 5.547 9.868 0.569 551 H GLU 69 H GLU 69 -1.198 13.223 -0.886 552 HA GLU 69 HA GLU 69 -1.680 15.933 -0.245 553 1HB GLU 69 2HB GLU 69 -2.345 14.698 -2.363 554 2HB GLU 69 1HB GLU 69 -3.681 14.027 -1.439 555 1HG GLU 69 2HG GLU 69 -4.074 16.602 -0.898 556 2HG GLU 69 1HG GLU 69 -3.261 16.771 -2.453 557 H ASN 70 H ASN 70 -3.052 12.897 0.889 558 HA ASN 70 HA ASN 70 -4.484 14.404 2.978 559 1HB ASN 70 2HB ASN 70 -5.475 11.729 2.068 560 2HB ASN 70 1HB ASN 70 -6.365 13.057 2.806 561 1HD2 ASN 70 1HD2 ASN 70 -4.594 12.199 -0.133 562 2HD2 ASN 70 2HD2 ASN 70 -5.607 13.088 -1.213 563 H SER 71 H SER 71 -1.794 12.935 2.753 564 HA SER 71 HA SER 71 -1.800 11.893 5.396 565 1HB SER 71 2HB SER 71 -2.380 10.044 3.267 566 2HB SER 71 1HB SER 71 -0.834 9.629 4.005 567 HG SER 71 HG SER 71 -3.266 10.054 5.408 568 HA PRO 72 HA PRO 72 2.226 13.417 3.595 569 1HB PRO 72 2HB PRO 72 2.269 15.141 5.957 570 2HB PRO 72 1HB PRO 72 2.405 15.582 4.253 571 1HG PRO 72 2HG PRO 72 0.220 16.166 5.731 572 2HG PRO 72 1HG PRO 72 0.133 15.816 3.996 573 1HD PRO 72 2HD PRO 72 -0.505 14.044 6.322 574 2HD PRO 72 1HD PRO 72 -1.358 14.224 4.773 575 H ASP 73 H ASP 73 1.132 12.264 6.621 576 HA ASP 73 HA ASP 73 3.867 11.548 7.423 577 1HB ASP 73 2HB ASP 73 2.467 12.880 9.027 578 2HB ASP 73 1HB ASP 73 1.388 11.494 9.144 579 H SER 74 H SER 74 2.327 10.142 5.392 580 HA SER 74 HA SER 74 1.863 7.564 6.725 581 1HB SER 74 2HB SER 74 -0.047 8.469 5.441 582 2HB SER 74 1HB SER 74 0.951 8.472 3.987 583 HG SER 74 HG SER 74 -0.520 6.519 4.808 584 H VAL 75 H VAL 75 2.075 5.942 4.413 585 HA VAL 75 HA VAL 75 4.732 6.395 3.330 586 HB VAL 75 HB VAL 75 4.144 3.888 4.910 587 1HG1 VAL 75 1HG1 VAL 75 6.511 4.754 3.240 588 2HG1 VAL 75 2HG1 VAL 75 5.446 3.377 2.956 589 3HG1 VAL 75 3HG1 VAL 75 6.534 3.379 4.345 590 1HG2 VAL 75 1HG2 VAL 75 4.641 5.548 6.488 591 2HG2 VAL 75 2HG2 VAL 75 5.854 6.300 5.452 592 3HG2 VAL 75 3HG2 VAL 75 6.183 4.740 6.205 593 H VAL 76 H VAL 76 4.962 5.613 1.341 594 HA VAL 76 HA VAL 76 2.758 3.983 0.278 595 HB VAL 76 HB VAL 76 4.723 5.640 -1.300 596 1HG1 VAL 76 1HG1 VAL 76 3.151 3.629 -2.190 597 2HG1 VAL 76 2HG1 VAL 76 3.633 5.015 -3.168 598 3HG1 VAL 76 3HG1 VAL 76 2.060 5.002 -2.371 599 1HG2 VAL 76 1HG2 VAL 76 1.959 6.584 -1.117 600 2HG2 VAL 76 2HG2 VAL 76 3.475 7.482 -1.024 601 3HG2 VAL 76 3HG2 VAL 76 2.847 6.660 0.405 602 H ILE 77 H ILE 77 3.152 1.914 -0.037 603 HA ILE 77 HA ILE 77 5.859 1.085 -0.861 604 HB ILE 77 HB ILE 77 3.948 -0.681 0.651 605 1HG1 ILE 77 2HG1 ILE 77 4.478 1.274 2.049 606 2HG1 ILE 77 1HG1 ILE 77 5.225 -0.190 2.682 607 1HG2 ILE 77 1HG2 ILE 77 5.948 -1.524 -0.771 608 2HG2 ILE 77 2HG2 ILE 77 5.693 -2.178 0.847 609 3HG2 ILE 77 3HG2 ILE 77 6.923 -0.943 0.579 610 1HD1 ILE 77 1HD1 ILE 77 7.203 0.781 1.096 611 2HD1 ILE 77 2HD1 ILE 77 7.054 1.077 2.829 612 3HD1 ILE 77 3HD1 ILE 77 6.444 2.264 1.675 613 H VAL 78 H VAL 78 4.160 1.810 -2.832 614 HA VAL 78 HA VAL 78 2.319 0.096 -3.910 615 HB VAL 78 HB VAL 78 4.493 1.572 -5.416 616 1HG1 VAL 78 1HG1 VAL 78 1.824 0.599 -6.429 617 2HG1 VAL 78 2HG1 VAL 78 3.368 -0.184 -6.759 618 3HG1 VAL 78 3HG1 VAL 78 3.061 1.448 -7.353 619 1HG2 VAL 78 1HG2 VAL 78 1.855 2.378 -4.283 620 2HG2 VAL 78 2HG2 VAL 78 2.425 3.138 -5.770 621 3HG2 VAL 78 3HG2 VAL 78 3.389 3.247 -4.297 622 H ILE 79 H ILE 79 2.294 -1.859 -4.849 623 HA ILE 79 HA ILE 79 4.851 -3.165 -5.479 624 HB ILE 79 HB ILE 79 2.608 -4.754 -4.292 625 1HG1 ILE 79 2HG1 ILE 79 4.753 -3.314 -2.721 626 2HG1 ILE 79 1HG1 ILE 79 3.037 -2.930 -2.704 627 1HG2 ILE 79 1HG2 ILE 79 4.761 -5.980 -3.441 628 2HG2 ILE 79 2HG2 ILE 79 5.528 -5.095 -4.760 629 3HG2 ILE 79 3HG2 ILE 79 4.195 -6.198 -5.097 630 1HD1 ILE 79 1HD1 ILE 79 3.791 -4.222 -0.739 631 2HD1 ILE 79 2HD1 ILE 79 4.199 -5.558 -1.817 632 3HD1 ILE 79 3HD1 ILE 79 2.524 -5.028 -1.664 633 H THR 80 H THR 80 4.490 -5.193 -6.813 634 HA THR 80 HA THR 80 3.696 -6.235 -8.672 635 HB THR 80 HB THR 80 1.022 -5.050 -8.718 636 HG1 THR 80 1HG THR 80 1.887 -6.382 -6.368 637 1HG2 THR 80 1HG2 THR 80 0.998 -7.059 -9.756 638 2HG2 THR 80 2HG2 THR 80 0.549 -7.571 -8.129 639 3HG2 THR 80 3HG2 THR 80 2.212 -7.758 -8.687 640 H GLY 81 H GLY 81 3.135 -5.855 -10.905 641 1HA GLY 81 2HA GLY 81 2.813 -3.094 -11.759 642 2HA GLY 81 1HA GLY 81 4.340 -3.849 -12.191 643 H HIS 82 H HIS 82 2.909 -2.982 -14.242 644 HA HIS 82 HA HIS 82 0.929 -4.659 -15.284 645 1HB HIS 82 2HB HIS 82 1.679 -3.721 -17.521 646 2HB HIS 82 1HB HIS 82 1.228 -2.534 -16.302 647 HD1 HIS 82 1HD HIS 82 4.127 -3.778 -18.275 648 HD2 HIS 82 2HD HIS 82 3.358 -0.978 -15.303 649 HE1 HIS 82 1HE HIS 82 6.183 -2.333 -18.165 650 HE2 HIS 82 2HE HIS 82 5.725 -0.696 -16.305 651 H GLY 83 H GLY 83 4.440 -4.661 -15.897 652 1HA GLY 83 2HA GLY 83 4.493 -7.517 -16.117 653 2HA GLY 83 1HA GLY 83 4.634 -6.733 -17.684 654 H SER 84 H SER 84 6.167 -4.531 -17.065 655 HA SER 84 HA SER 84 8.719 -5.809 -16.375 656 1HB SER 84 2HB SER 84 8.137 -4.461 -18.622 657 2HB SER 84 1HB SER 84 8.671 -3.110 -17.621 658 HG SER 84 HG SER 84 10.655 -3.831 -17.702 659 H VAL 85 H VAL 85 10.356 -4.285 -15.369 660 HA VAL 85 HA VAL 85 9.130 -3.090 -13.024 661 HB VAL 85 HB VAL 85 12.070 -3.349 -13.664 662 1HG1 VAL 85 1HG1 VAL 85 10.510 -2.487 -11.284 663 2HG1 VAL 85 2HG1 VAL 85 12.027 -1.860 -11.930 664 3HG1 VAL 85 3HG1 VAL 85 12.011 -3.376 -11.027 665 1HG2 VAL 85 1HG2 VAL 85 10.374 -5.453 -13.373 666 2HG2 VAL 85 2HG2 VAL 85 10.880 -5.183 -11.705 667 3HG2 VAL 85 3HG2 VAL 85 12.088 -5.482 -12.956 668 H ASP 86 H ASP 86 8.212 -1.406 -14.598 669 HA ASP 86 HA ASP 86 10.142 0.802 -14.896 670 1HB ASP 86 2HB ASP 86 9.239 0.004 -17.045 671 2HB ASP 86 1HB ASP 86 7.603 0.309 -16.469 672 H THR 87 H THR 87 6.612 0.288 -14.452 673 HA THR 87 HA THR 87 5.923 2.770 -13.529 674 HB THR 87 HB THR 87 4.400 0.779 -13.933 675 HG1 THR 87 1HG THR 87 2.906 1.502 -12.348 676 1HG2 THR 87 1HG2 THR 87 5.432 -0.874 -12.498 677 2HG2 THR 87 2HG2 THR 87 3.774 -0.562 -11.984 678 3HG2 THR 87 3HG2 THR 87 5.123 0.131 -11.083 679 H ALA 88 H ALA 88 7.562 0.203 -11.821 680 HA ALA 88 HA ALA 88 7.366 1.139 -9.199 681 1HB ALA 88 1HB ALA 88 9.766 -0.241 -10.386 682 2HB ALA 88 2HB ALA 88 8.279 -1.080 -9.944 683 3HB ALA 88 3HB ALA 88 9.232 -0.263 -8.707 684 H VAL 89 H VAL 89 10.058 1.563 -11.475 685 HA VAL 89 HA VAL 89 11.444 3.453 -9.934 686 HB VAL 89 HB VAL 89 12.727 3.941 -11.949 687 1HG1 VAL 89 1HG1 VAL 89 13.611 2.029 -11.101 688 2HG1 VAL 89 2HG1 VAL 89 13.052 1.396 -12.650 689 3HG1 VAL 89 3HG1 VAL 89 12.084 1.150 -11.196 690 1HG2 VAL 89 1HG2 VAL 89 12.119 3.381 -14.105 691 2HG2 VAL 89 2HG2 VAL 89 10.561 3.821 -13.405 692 3HG2 VAL 89 3HG2 VAL 89 11.003 2.123 -13.576 693 H LYS 90 H LYS 90 8.716 3.747 -12.045 694 HA LYS 90 HA LYS 90 8.970 6.611 -12.370 695 1HB LYS 90 2HB LYS 90 8.026 5.238 -14.172 696 2HB LYS 90 1HB LYS 90 6.720 4.735 -13.110 697 1HG LYS 90 2HG LYS 90 5.747 6.864 -13.109 698 2HG LYS 90 1HG LYS 90 7.200 7.622 -13.757 699 1HD LYS 90 2HD LYS 90 6.024 5.511 -15.436 700 2HD LYS 90 1HD LYS 90 5.036 6.960 -15.242 701 1HE LYS 90 2HE LYS 90 7.937 7.204 -15.920 702 2HE LYS 90 1HE LYS 90 6.765 6.823 -17.182 703 1HZ LYS 90 1HZ LYS 90 7.397 9.297 -16.514 704 2HZ LYS 90 2HZ LYS 90 6.121 9.060 -15.430 705 3HZ LYS 90 3HZ LYS 90 5.865 8.877 -17.094 706 H ALA 91 H ALA 91 7.572 4.453 -10.098 707 HA ALA 91 HA ALA 91 5.822 6.566 -9.050 708 1HB ALA 91 1HB ALA 91 4.938 4.626 -7.622 709 2HB ALA 91 2HB ALA 91 5.826 3.585 -8.735 710 3HB ALA 91 3HB ALA 91 4.546 4.636 -9.342 711 H ILE 92 H ILE 92 8.550 4.517 -8.236 712 HA ILE 92 HA ILE 92 8.583 5.285 -5.471 713 HB ILE 92 HB ILE 92 10.515 3.965 -5.220 714 1HG1 ILE 92 2HG1 ILE 92 10.835 4.079 -8.228 715 2HG1 ILE 92 1HG1 ILE 92 11.870 4.865 -7.041 716 1HG2 ILE 92 1HG2 ILE 92 9.826 1.989 -6.975 717 2HG2 ILE 92 2HG2 ILE 92 8.351 2.949 -6.907 718 3HG2 ILE 92 3HG2 ILE 92 9.041 2.291 -5.427 719 1HD1 ILE 92 1HD1 ILE 92 13.106 3.012 -7.574 720 2HD1 ILE 92 2HD1 ILE 92 11.684 1.989 -7.787 721 3HD1 ILE 92 3HD1 ILE 92 12.218 2.432 -6.165 722 H LYS 93 H LYS 93 9.727 6.698 -8.364 723 HA LYS 93 HA LYS 93 11.835 8.215 -7.083 724 1HB LYS 93 2HB LYS 93 10.906 7.756 -9.833 725 2HB LYS 93 1HB LYS 93 11.477 9.391 -9.527 726 1HG LYS 93 2HG LYS 93 13.616 8.752 -9.393 727 2HG LYS 93 1HG LYS 93 13.228 7.296 -8.474 728 1HD LYS 93 2HD LYS 93 12.914 6.024 -10.367 729 2HD LYS 93 1HD LYS 93 12.498 7.420 -11.364 730 1HE LYS 93 2HE LYS 93 15.075 7.978 -10.657 731 2HE LYS 93 1HE LYS 93 15.109 6.220 -10.786 732 1HZ LYS 93 1HZ LYS 93 15.456 6.673 -12.944 733 2HZ LYS 93 2HZ LYS 93 14.781 8.221 -12.857 734 3HZ LYS 93 3HZ LYS 93 13.777 6.868 -13.001 735 H LYS 94 H LYS 94 8.470 8.526 -7.583 736 HA LYS 94 HA LYS 94 8.408 11.401 -7.574 737 1HB LYS 94 2HB LYS 94 6.677 9.718 -8.558 738 2HB LYS 94 1HB LYS 94 6.035 9.712 -6.922 739 1HG LYS 94 2HG LYS 94 5.813 12.177 -7.052 740 2HG LYS 94 1HG LYS 94 6.326 12.093 -8.738 741 1HD LYS 94 2HD LYS 94 4.403 10.494 -9.109 742 2HD LYS 94 1HD LYS 94 3.841 10.934 -7.496 743 1HE LYS 94 2HE LYS 94 2.748 12.614 -8.471 744 2HE LYS 94 1HE LYS 94 4.323 13.370 -8.708 745 1HZ LYS 94 1HZ LYS 94 4.403 12.730 -10.893 746 2HZ LYS 94 2HZ LYS 94 2.743 12.997 -10.714 747 3HZ LYS 94 3HZ LYS 94 3.353 11.420 -10.681 748 H GLY 95 H GLY 95 8.416 8.887 -5.191 749 1HA GLY 95 2HA GLY 95 9.083 10.336 -3.022 750 2HA GLY 95 1HA GLY 95 7.348 10.589 -3.100 751 H ALA 96 H ALA 96 7.254 7.703 -4.277 752 HA ALA 96 HA ALA 96 6.356 6.394 -2.033 753 1HB ALA 96 1HB ALA 96 5.906 4.729 -3.446 754 2HB ALA 96 2HB ALA 96 7.598 4.553 -3.912 755 3HB ALA 96 3HB ALA 96 6.586 5.763 -4.700 756 H TYR 97 H TYR 97 7.380 4.172 -1.327 757 HA TYR 97 HA TYR 97 10.054 4.818 -0.300 758 1HB TYR 97 2HB TYR 97 8.272 4.440 1.353 759 2HB TYR 97 1HB TYR 97 8.017 2.828 0.698 760 HD1 TYR 97 1HD TYR 97 10.704 4.944 2.195 761 HD2 TYR 97 2HD TYR 97 9.111 1.034 1.671 762 HE1 TYR 97 1HE TYR 97 12.393 4.053 3.743 763 HE2 TYR 97 2HE TYR 97 10.795 0.133 3.217 764 HH TYR 97 HH TYR 97 12.238 0.876 5.006 765 H GLU 98 H GLU 98 9.496 3.683 -2.942 766 HA GLU 98 HA GLU 98 10.658 2.287 -4.331 767 1HB GLU 98 2HB GLU 98 12.547 1.266 -3.631 768 2HB GLU 98 1HB GLU 98 12.271 2.196 -2.169 769 1HG GLU 98 2HG GLU 98 10.875 0.031 -1.516 770 2HG GLU 98 1HG GLU 98 11.993 -0.712 -2.659 771 H PHE 99 H PHE 99 10.039 0.482 -5.406 772 HA PHE 99 HA PHE 99 7.600 -0.705 -4.746 773 1HB PHE 99 2HB PHE 99 9.516 -0.845 -6.885 774 2HB PHE 99 1HB PHE 99 8.954 -2.465 -6.492 775 HD1 PHE 99 1HD PHE 99 7.534 -3.034 -8.235 776 HD2 PHE 99 2HD PHE 99 7.115 0.764 -6.360 777 HE1 PHE 99 1HE PHE 99 5.480 -2.627 -9.526 778 HE2 PHE 99 2HE PHE 99 5.060 1.178 -7.648 779 HZ PHE 99 HZ PHE 99 4.238 -0.520 -9.231 780 H LEU 100 H LEU 100 7.028 -2.693 -3.924 781 HA LEU 100 HA LEU 100 8.951 -3.902 -2.130 782 1HB LEU 100 2HB LEU 100 6.436 -3.361 -1.707 783 2HB LEU 100 1HB LEU 100 6.145 -4.871 -2.541 784 HG LEU 100 HG LEU 100 6.129 -5.545 -0.341 785 1HD1 LEU 100 1HD1 LEU 100 7.711 -6.932 -1.500 786 2HD1 LEU 100 2HD1 LEU 100 8.275 -6.666 0.149 787 3HD1 LEU 100 3HD1 LEU 100 9.010 -5.780 -1.187 788 1HD2 LEU 100 1HD2 LEU 100 7.857 -3.219 0.040 789 2HD2 LEU 100 2HD2 LEU 100 8.257 -4.592 1.073 790 3HD2 LEU 100 3HD2 LEU 100 6.630 -3.913 1.101 791 H GLU 101 H GLU 101 10.350 -5.262 -3.085 792 HA GLU 101 HA GLU 101 9.802 -6.790 -5.394 793 1HB GLU 101 2HB GLU 101 12.056 -6.147 -3.934 794 2HB GLU 101 1HB GLU 101 11.900 -7.879 -3.672 795 1HG GLU 101 2HG GLU 101 11.759 -6.715 -6.425 796 2HG GLU 101 1HG GLU 101 13.307 -7.051 -5.649 797 H LYS 102 H LYS 102 9.743 -9.118 -5.583 798 HA LYS 102 HA LYS 102 8.888 -11.173 -5.128 799 1HB LYS 102 2HB LYS 102 10.573 -11.213 -3.347 800 2HB LYS 102 1HB LYS 102 9.454 -10.407 -2.258 801 1HG LYS 102 2HG LYS 102 8.526 -12.332 -1.677 802 2HG LYS 102 1HG LYS 102 8.250 -12.772 -3.363 803 1HD LYS 102 2HD LYS 102 11.047 -12.992 -2.578 804 2HD LYS 102 1HD LYS 102 9.984 -14.020 -1.616 805 1HE LYS 102 2HE LYS 102 9.332 -15.275 -3.427 806 2HE LYS 102 1HE LYS 102 9.647 -13.974 -4.575 807 1HZ LYS 102 1HZ LYS 102 11.238 -15.879 -4.656 808 2HZ LYS 102 2HZ LYS 102 11.796 -15.417 -3.129 809 3HZ LYS 102 3HZ LYS 102 11.963 -14.365 -4.443 810 HA PRO 103 HA PRO 103 4.828 -9.247 -3.901 811 1HB PRO 103 2HB PRO 103 3.627 -9.243 -6.296 812 2HB PRO 103 1HB PRO 103 4.753 -7.962 -5.828 813 1HG PRO 103 2HG PRO 103 5.216 -10.348 -7.575 814 2HG PRO 103 1HG PRO 103 5.757 -8.675 -7.800 815 1HD PRO 103 2HD PRO 103 7.336 -10.686 -6.788 816 2HD PRO 103 1HD PRO 103 7.583 -8.962 -6.453 817 H PHE 104 H PHE 104 5.424 -11.776 -3.226 818 HA PHE 104 HA PHE 104 3.455 -13.494 -4.565 819 1HB PHE 104 2HB PHE 104 5.819 -14.307 -4.355 820 2HB PHE 104 1HB PHE 104 5.608 -14.316 -2.607 821 HD1 PHE 104 1HD PHE 104 4.521 -15.860 -5.767 822 HD2 PHE 104 2HD PHE 104 4.418 -16.054 -1.517 823 HE1 PHE 104 1HE PHE 104 3.587 -18.133 -5.897 824 HE2 PHE 104 2HE PHE 104 3.485 -18.326 -1.640 825 HZ PHE 104 HZ PHE 104 3.068 -19.369 -3.832 826 H SER 105 H SER 105 4.693 -13.196 -1.230 827 HA SER 105 HA SER 105 1.906 -13.147 -0.293 828 1HB SER 105 2HB SER 105 4.156 -14.768 0.918 829 2HB SER 105 1HB SER 105 2.530 -14.616 1.585 830 HG SER 105 HG SER 105 2.910 -16.526 0.274 831 H VAL 106 H VAL 106 3.679 -10.942 -0.681 832 HA VAL 106 HA VAL 106 4.532 -9.104 0.357 833 HB VAL 106 HB VAL 106 3.217 -8.161 2.051 834 1HG1 VAL 106 1HG1 VAL 106 1.151 -9.981 0.936 835 2HG1 VAL 106 2HG1 VAL 106 2.083 -8.967 -0.166 836 3HG1 VAL 106 3HG1 VAL 106 1.132 -8.227 1.122 837 1HG2 VAL 106 1HG2 VAL 106 1.702 -10.537 2.875 838 2HG2 VAL 106 2HG2 VAL 106 2.320 -9.193 3.834 839 3HG2 VAL 106 3HG2 VAL 106 3.387 -10.519 3.387 840 H GLU 107 H GLU 107 5.688 -11.845 1.085 841 HA GLU 107 HA GLU 107 6.544 -12.001 3.688 842 1HB GLU 107 2HB GLU 107 7.111 -13.823 2.354 843 2HB GLU 107 1HB GLU 107 7.766 -12.815 1.074 844 1HG GLU 107 2HG GLU 107 9.808 -12.753 1.986 845 2HG GLU 107 1HG GLU 107 9.187 -12.666 3.634 846 H ARG 108 H ARG 108 8.209 -10.315 1.015 847 HA ARG 108 HA ARG 108 10.205 -9.175 2.690 848 1HB ARG 108 2HB ARG 108 9.433 -9.038 -0.131 849 2HB ARG 108 1HB ARG 108 10.048 -7.512 0.489 850 1HG ARG 108 2HG ARG 108 11.971 -8.500 -0.262 851 2HG ARG 108 1HG ARG 108 11.974 -8.996 1.432 852 1HD ARG 108 2HD ARG 108 10.677 -11.070 0.542 853 2HD ARG 108 1HD ARG 108 11.357 -10.600 -1.015 854 HE ARG 108 HE ARG 108 13.483 -10.631 0.713 855 1HH1 ARG 108 1HH1 ARG 108 11.085 -12.947 -0.320 856 2HH1 ARG 108 2HH1 ARG 108 12.131 -14.310 -0.112 857 1HH2 ARG 108 1HH2 ARG 108 14.861 -12.423 0.985 858 2HH2 ARG 108 2HH2 ARG 108 14.275 -14.013 0.629 859 H PHE 109 H PHE 109 6.981 -8.288 1.787 860 HA PHE 109 HA PHE 109 7.030 -5.547 2.368 861 1HB PHE 109 2HB PHE 109 5.045 -5.959 1.368 862 2HB PHE 109 1HB PHE 109 5.022 -7.625 1.911 863 HD1 PHE 109 1HD PHE 109 3.607 -4.388 2.308 864 HD2 PHE 109 2HD PHE 109 4.302 -8.068 4.331 865 HE1 PHE 109 1HE PHE 109 1.816 -3.848 3.907 866 HE2 PHE 109 2HE PHE 109 2.511 -7.533 5.928 867 HZ PHE 109 HZ PHE 109 1.266 -5.420 5.718 868 H LEU 110 H LEU 110 6.974 -8.342 4.409 869 HA LEU 110 HA LEU 110 5.887 -7.391 6.754 870 1HB LEU 110 2HB LEU 110 7.174 -9.657 5.987 871 2HB LEU 110 1HB LEU 110 8.325 -8.967 7.114 872 HG LEU 110 HG LEU 110 5.457 -9.232 7.917 873 1HD1 LEU 110 1HD1 LEU 110 5.818 -11.463 8.718 874 2HD1 LEU 110 2HD1 LEU 110 7.490 -11.441 8.160 875 3HD1 LEU 110 3HD1 LEU 110 6.169 -11.421 6.991 876 1HD2 LEU 110 1HD2 LEU 110 8.107 -8.929 9.239 877 2HD2 LEU 110 2HD2 LEU 110 6.815 -9.763 10.103 878 3HD2 LEU 110 3HD2 LEU 110 6.583 -8.101 9.559 879 H LEU 111 H LEU 111 9.251 -7.094 5.652 880 HA LEU 111 HA LEU 111 10.103 -5.623 7.938 881 1HB LEU 111 2HB LEU 111 11.370 -5.757 5.198 882 2HB LEU 111 1HB LEU 111 12.147 -5.209 6.672 883 HG LEU 111 HG LEU 111 11.348 -7.723 7.387 884 1HD1 LEU 111 1HD1 LEU 111 10.874 -7.781 4.727 885 2HD1 LEU 111 2HD1 LEU 111 11.319 -9.192 5.686 886 3HD1 LEU 111 3HD1 LEU 111 12.551 -8.323 4.772 887 1HD2 LEU 111 1HD2 LEU 111 13.487 -7.283 7.983 888 2HD2 LEU 111 2HD2 LEU 111 13.859 -6.468 6.464 889 3HD2 LEU 111 3HD2 LEU 111 13.837 -8.231 6.537 890 H THR 112 H THR 112 9.433 -4.612 4.563 891 HA THR 112 HA THR 112 9.899 -1.933 4.746 892 HB THR 112 HB THR 112 7.621 -3.328 3.330 893 HG1 THR 112 1HG THR 112 9.183 -2.726 1.537 894 1HG2 THR 112 1HG2 THR 112 8.405 -0.960 1.987 895 2HG2 THR 112 2HG2 THR 112 7.979 -0.541 3.647 896 3HG2 THR 112 3HG2 THR 112 6.821 -1.395 2.627 897 H ILE 113 H ILE 113 7.175 -3.717 6.018 898 HA ILE 113 HA ILE 113 5.597 -1.494 6.800 899 HB ILE 113 HB ILE 113 5.664 -4.373 7.690 900 1HG1 ILE 113 2HG1 ILE 113 4.735 -3.989 5.489 901 2HG1 ILE 113 1HG1 ILE 113 3.431 -4.397 6.598 902 1HG2 ILE 113 1HG2 ILE 113 4.136 -2.094 8.858 903 2HG2 ILE 113 2HG2 ILE 113 4.890 -3.475 9.657 904 3HG2 ILE 113 3HG2 ILE 113 3.382 -3.686 8.767 905 1HD1 ILE 113 1HD1 ILE 113 4.120 -1.716 5.447 906 2HD1 ILE 113 2HD1 ILE 113 3.032 -1.911 6.821 907 3HD1 ILE 113 3HD1 ILE 113 2.630 -2.640 5.267 908 H LYS 114 H LYS 114 7.387 -3.767 8.893 909 HA LYS 114 HA LYS 114 7.363 -2.209 11.175 910 1HB LYS 114 2HB LYS 114 9.326 -3.554 11.906 911 2HB LYS 114 1HB LYS 114 7.951 -4.501 11.348 912 1HG LYS 114 2HG LYS 114 9.385 -5.559 10.079 913 2HG LYS 114 1HG LYS 114 9.384 -4.112 9.077 914 1HD LYS 114 2HD LYS 114 11.217 -3.296 10.746 915 2HD LYS 114 1HD LYS 114 11.397 -5.016 11.093 916 1HE LYS 114 2HE LYS 114 11.883 -5.477 8.778 917 2HE LYS 114 1HE LYS 114 11.555 -3.802 8.338 918 1HZ LYS 114 1HZ LYS 114 13.547 -3.117 9.103 919 2HZ LYS 114 2HZ LYS 114 13.990 -4.723 8.813 920 3HZ LYS 114 3HZ LYS 114 13.584 -4.227 10.379 921 H HIS 115 H HIS 115 9.182 -1.813 8.321 922 HA HIS 115 HA HIS 115 11.213 -0.159 9.581 923 1HB HIS 115 2HB HIS 115 11.677 -1.777 7.671 924 2HB HIS 115 1HB HIS 115 10.856 -0.618 6.629 925 HD1 HIS 115 1HD HIS 115 11.973 2.000 7.219 926 HD2 HIS 115 2HD HIS 115 14.334 -1.412 7.447 927 HE1 HIS 115 1HE HIS 115 14.345 2.807 6.999 928 HE2 HIS 115 2HE HIS 115 15.759 0.735 7.230 929 H ALA 116 H ALA 116 8.381 0.124 7.534 930 HA ALA 116 HA ALA 116 8.688 2.875 6.888 931 1HB ALA 116 1HB ALA 116 6.299 2.732 6.223 932 2HB ALA 116 2HB ALA 116 6.259 1.092 6.868 933 3HB ALA 116 3HB ALA 116 7.311 1.478 5.506 934 H PHE 117 H PHE 117 6.557 1.210 9.213 935 HA PHE 117 HA PHE 117 5.396 3.463 10.348 936 1HB PHE 117 2HB PHE 117 5.909 0.685 11.349 937 2HB PHE 117 1HB PHE 117 5.236 1.895 12.435 938 HD1 PHE 117 1HD PHE 117 3.198 3.252 11.366 939 HD2 PHE 117 2HD PHE 117 4.434 -0.656 10.217 940 HE1 PHE 117 1HE PHE 117 0.950 2.809 10.474 941 HE2 PHE 117 2HE PHE 117 2.187 -1.106 9.324 942 HZ PHE 117 HZ PHE 117 0.442 0.629 9.450 943 H GLU 118 H GLU 118 8.582 2.174 10.762 944 HA GLU 118 HA GLU 118 9.231 3.253 13.269 945 1HB GLU 118 2HB GLU 118 10.900 2.549 10.872 946 2HB GLU 118 1HB GLU 118 11.612 3.190 12.346 947 1HG GLU 118 2HG GLU 118 9.794 0.895 12.675 948 2HG GLU 118 1HG GLU 118 11.317 0.575 11.846 949 H GLU 119 H GLU 119 8.683 4.797 10.264 950 HA GLU 119 HA GLU 119 10.251 7.149 10.936 951 1HB GLU 119 2HB GLU 119 8.387 6.690 8.602 952 2HB GLU 119 1HB GLU 119 9.535 8.010 8.775 953 1HG GLU 119 2HG GLU 119 11.387 6.515 8.596 954 2HG GLU 119 1HG GLU 119 10.323 5.111 8.658 955 H TYR 120 H TYR 120 7.632 6.138 12.325 956 HA TYR 120 HA TYR 120 6.120 8.648 12.107 957 1HB TYR 120 2HB TYR 120 4.862 6.547 11.698 958 2HB TYR 120 1HB TYR 120 5.258 6.017 13.329 959 HD1 TYR 120 1HD TYR 120 3.496 6.177 14.797 960 HD2 TYR 120 2HD TYR 120 3.907 9.148 11.781 961 HE1 TYR 120 1HE TYR 120 1.494 7.318 15.657 962 HE2 TYR 120 2HE TYR 120 1.907 10.298 12.631 963 HH TYR 120 HH TYR 120 0.720 10.333 15.111 964 H SER 121 H SER 121 8.607 8.388 13.585 965 HA SER 121 HA SER 121 7.602 8.906 16.307 966 1HB SER 121 2HB SER 121 9.735 8.115 17.186 967 2HB SER 121 1HB SER 121 9.002 6.863 16.182 968 HG SER 121 HG SER 121 10.454 7.280 14.591 Start of MODEL 31 1 1H MET 1 1HT MET 1 -3.965 0.491 15.716 2 2H MET 1 2HT MET 1 -3.881 0.447 17.430 3 3H MET 1 3HT MET 1 -3.269 -0.863 16.505 4 HA MET 1 HA MET 1 -2.196 1.841 16.832 5 1HB MET 1 2HB MET 1 -0.993 -0.926 17.055 6 2HB MET 1 1HB MET 1 -0.194 0.588 17.454 7 1HG MET 1 2HG MET 1 -1.901 0.962 19.213 8 2HG MET 1 1HG MET 1 -2.553 -0.637 18.861 9 1HE MET 1 1HE MET 1 0.317 0.377 21.922 10 2HE MET 1 2HE MET 1 -0.747 1.392 20.948 11 3HE MET 1 3HE MET 1 0.920 1.121 20.441 12 H LYS 2 H LYS 2 -1.582 -1.172 15.015 13 HA LYS 2 HA LYS 2 -0.423 0.461 12.861 14 1HB LYS 2 2HB LYS 2 -0.113 -2.511 13.307 15 2HB LYS 2 1HB LYS 2 0.768 -1.521 12.153 16 1HG LYS 2 2HG LYS 2 0.997 -0.634 14.936 17 2HG LYS 2 1HG LYS 2 1.677 -2.229 14.609 18 1HD LYS 2 2HD LYS 2 2.599 -0.790 12.484 19 2HD LYS 2 1HD LYS 2 2.598 0.426 13.765 20 1HE LYS 2 2HE LYS 2 3.890 -2.294 13.957 21 2HE LYS 2 1HE LYS 2 4.742 -0.795 13.584 22 1HZ LYS 2 1HZ LYS 2 3.123 -0.961 16.032 23 2HZ LYS 2 2HZ LYS 2 4.488 -0.014 15.710 24 3HZ LYS 2 3HZ LYS 2 4.658 -1.671 16.007 25 H ARG 3 H ARG 3 -1.519 0.686 11.031 26 HA ARG 3 HA ARG 3 -3.275 -1.444 10.103 27 1HB ARG 3 2HB ARG 3 -4.349 1.364 10.173 28 2HB ARG 3 1HB ARG 3 -5.225 -0.142 9.940 29 1HG ARG 3 2HG ARG 3 -5.811 0.434 12.088 30 2HG ARG 3 1HG ARG 3 -4.461 -0.669 12.361 31 1HD ARG 3 2HD ARG 3 -3.655 0.974 13.658 32 2HD ARG 3 1HD ARG 3 -3.174 1.717 12.133 33 HE ARG 3 HE ARG 3 -5.787 2.508 12.656 34 1HH1 ARG 3 1HH1 ARG 3 -2.619 2.897 14.067 35 2HH1 ARG 3 2HH1 ARG 3 -2.981 4.442 14.761 36 1HH2 ARG 3 1HH2 ARG 3 -6.265 4.541 13.569 37 2HH2 ARG 3 2HH2 ARG 3 -5.049 5.376 14.478 38 H VAL 4 H VAL 4 -2.157 -1.808 8.250 39 HA VAL 4 HA VAL 4 -1.311 0.435 6.590 40 HB VAL 4 HB VAL 4 -0.955 -2.526 6.090 41 1HG1 VAL 4 1HG1 VAL 4 1.004 -1.602 4.717 42 2HG1 VAL 4 2HG1 VAL 4 0.166 -0.055 4.811 43 3HG1 VAL 4 3HG1 VAL 4 -0.620 -1.435 4.049 44 1HG2 VAL 4 1HG2 VAL 4 1.330 -2.209 6.952 45 2HG2 VAL 4 2HG2 VAL 4 0.107 -1.906 8.187 46 3HG2 VAL 4 3HG2 VAL 4 0.918 -0.553 7.397 47 H LEU 5 H LEU 5 -1.809 0.407 4.245 48 HA LEU 5 HA LEU 5 -4.564 -0.525 3.803 49 1HB LEU 5 2HB LEU 5 -4.104 1.948 3.714 50 2HB LEU 5 1HB LEU 5 -3.120 1.648 2.295 51 HG LEU 5 HG LEU 5 -5.102 0.732 1.135 52 1HD1 LEU 5 1HD1 LEU 5 -6.962 0.206 2.217 53 2HD1 LEU 5 2HD1 LEU 5 -7.117 1.849 2.837 54 3HD1 LEU 5 3HD1 LEU 5 -6.173 0.657 3.729 55 1HD2 LEU 5 1HD2 LEU 5 -5.409 3.521 2.241 56 2HD2 LEU 5 2HD2 LEU 5 -6.250 2.886 0.827 57 3HD2 LEU 5 3HD2 LEU 5 -4.494 3.054 0.807 58 H VAL 6 H VAL 6 -5.045 -1.829 2.118 59 HA VAL 6 HA VAL 6 -2.832 -2.521 0.290 60 HB VAL 6 HB VAL 6 -4.943 -4.480 1.163 61 1HG1 VAL 6 1HG1 VAL 6 -3.681 -4.875 -0.948 62 2HG1 VAL 6 2HG1 VAL 6 -3.460 -6.131 0.269 63 3HG1 VAL 6 3HG1 VAL 6 -2.198 -4.927 0.004 64 1HG2 VAL 6 1HG2 VAL 6 -3.398 -5.385 2.774 65 2HG2 VAL 6 2HG2 VAL 6 -3.656 -3.676 3.126 66 3HG2 VAL 6 3HG2 VAL 6 -2.174 -4.196 2.325 67 H VAL 7 H VAL 7 -3.572 -1.175 -1.365 68 HA VAL 7 HA VAL 7 -6.274 -1.561 -2.368 69 HB VAL 7 HB VAL 7 -4.106 0.206 -3.515 70 1HG1 VAL 7 1HG1 VAL 7 -7.081 0.051 -3.938 71 2HG1 VAL 7 2HG1 VAL 7 -5.800 -0.165 -5.131 72 3HG1 VAL 7 3HG1 VAL 7 -6.101 1.429 -4.438 73 1HG2 VAL 7 1HG2 VAL 7 -6.332 1.035 -1.660 74 2HG2 VAL 7 2HG2 VAL 7 -5.007 2.028 -2.267 75 3HG2 VAL 7 3HG2 VAL 7 -4.679 0.721 -1.130 76 H ASP 8 H ASP 8 -6.535 -3.406 -3.460 77 HA ASP 8 HA ASP 8 -4.803 -3.857 -5.780 78 1HB ASP 8 2HB ASP 8 -3.938 -5.366 -4.102 79 2HB ASP 8 1HB ASP 8 -5.556 -5.944 -3.723 80 H ASP 9 H ASP 9 -5.834 -4.697 -7.566 81 HA ASP 9 HA ASP 9 -8.734 -4.560 -7.490 82 1HB ASP 9 2HB ASP 9 -7.543 -3.401 -9.287 83 2HB ASP 9 1HB ASP 9 -6.833 -4.921 -9.820 84 H GLU 10 H GLU 10 -7.991 -6.697 -6.036 85 HA GLU 10 HA GLU 10 -9.218 -8.862 -7.467 86 1HB GLU 10 2HB GLU 10 -6.728 -8.923 -8.073 87 2HB GLU 10 1HB GLU 10 -6.452 -9.396 -6.403 88 1HG GLU 10 2HG GLU 10 -6.513 -11.398 -7.599 89 2HG GLU 10 1HG GLU 10 -8.091 -11.285 -6.823 90 H GLU 11 H GLU 11 -10.667 -9.475 -6.007 91 HA GLU 11 HA GLU 11 -11.647 -10.083 -4.044 92 1HB GLU 11 2HB GLU 11 -9.361 -11.589 -4.323 93 2HB GLU 11 1HB GLU 11 -9.180 -10.925 -2.705 94 1HG GLU 11 2HG GLU 11 -11.579 -11.742 -2.316 95 2HG GLU 11 1HG GLU 11 -11.336 -12.704 -3.773 96 H SER 12 H SER 12 -11.232 -9.967 -1.481 97 HA SER 12 HA SER 12 -11.134 -7.197 -0.882 98 1HB SER 12 2HB SER 12 -10.839 -9.189 1.313 99 2HB SER 12 1HB SER 12 -11.897 -7.783 1.202 100 HG SER 12 HG SER 12 -13.338 -8.932 0.061 101 H ILE 13 H ILE 13 -9.111 -9.800 0.489 102 HA ILE 13 HA ILE 13 -6.971 -7.841 0.904 103 HB ILE 13 HB ILE 13 -6.909 -10.690 1.849 104 1HG1 ILE 13 2HG1 ILE 13 -9.028 -9.640 2.620 105 2HG1 ILE 13 1HG1 ILE 13 -7.932 -10.025 3.943 106 1HG2 ILE 13 1HG2 ILE 13 -4.841 -9.886 2.287 107 2HG2 ILE 13 2HG2 ILE 13 -5.651 -9.289 3.735 108 3HG2 ILE 13 3HG2 ILE 13 -5.387 -8.211 2.365 109 1HD1 ILE 13 1HD1 ILE 13 -7.226 -7.676 4.012 110 2HD1 ILE 13 2HD1 ILE 13 -8.956 -7.874 4.296 111 3HD1 ILE 13 3HD1 ILE 13 -8.378 -7.312 2.728 112 H THR 14 H THR 14 -4.737 -8.555 0.488 113 HA THR 14 HA THR 14 -4.578 -9.845 -2.115 114 HB THR 14 HB THR 14 -2.268 -9.016 -2.165 115 HG1 THR 14 1HG THR 14 -2.833 -8.016 0.428 116 1HG2 THR 14 1HG2 THR 14 -2.690 -6.559 -1.915 117 2HG2 THR 14 2HG2 THR 14 -4.304 -6.969 -1.330 118 3HG2 THR 14 3HG2 THR 14 -3.818 -7.415 -2.966 119 H SER 15 H SER 15 -3.327 -11.682 -2.529 120 HA SER 15 HA SER 15 -3.365 -13.681 -0.600 121 1HB SER 15 2HB SER 15 -3.129 -13.803 -3.199 122 2HB SER 15 1HB SER 15 -1.398 -13.776 -2.863 123 HG SER 15 HG SER 15 -2.972 -15.854 -2.798 124 H SER 16 H SER 16 -2.018 -14.392 0.916 125 HA SER 16 HA SER 16 -0.092 -14.769 2.095 126 1HB SER 16 2HB SER 16 1.128 -14.401 -0.101 127 2HB SER 16 1HB SER 16 1.359 -12.733 0.421 128 HG SER 16 HG SER 16 2.138 -14.986 1.954 129 H LEU 17 H LEU 17 -1.086 -11.473 1.379 130 HA LEU 17 HA LEU 17 0.266 -10.250 3.530 131 1HB LEU 17 2HB LEU 17 -1.218 -9.370 1.407 132 2HB LEU 17 1HB LEU 17 -2.302 -9.052 2.742 133 HG LEU 17 HG LEU 17 -0.164 -7.456 1.812 134 1HD1 LEU 17 1HD1 LEU 17 -1.321 -5.875 2.865 135 2HD1 LEU 17 2HD1 LEU 17 -1.281 -6.732 4.405 136 3HD1 LEU 17 3HD1 LEU 17 -2.495 -7.149 3.195 137 1HD2 LEU 17 1HD2 LEU 17 1.109 -7.088 3.901 138 2HD2 LEU 17 2HD2 LEU 17 1.412 -8.664 3.173 139 3HD2 LEU 17 3HD2 LEU 17 0.359 -8.532 4.579 140 H SER 18 H SER 18 -3.207 -11.043 3.233 141 HA SER 18 HA SER 18 -4.033 -10.402 5.754 142 1HB SER 18 2HB SER 18 -5.253 -11.539 3.645 143 2HB SER 18 1HB SER 18 -5.126 -12.952 4.693 144 HG SER 18 HG SER 18 -6.319 -10.460 5.344 145 H ALA 19 H ALA 19 -2.711 -13.566 4.771 146 HA ALA 19 HA ALA 19 -2.878 -14.782 7.297 147 1HB ALA 19 1HB ALA 19 -2.406 -15.937 5.123 148 2HB ALA 19 2HB ALA 19 -1.351 -16.419 6.451 149 3HB ALA 19 3HB ALA 19 -0.761 -15.308 5.215 150 H ILE 20 H ILE 20 -0.513 -12.686 5.835 151 HA ILE 20 HA ILE 20 1.457 -12.972 7.889 152 HB ILE 20 HB ILE 20 1.124 -11.091 5.571 153 1HG1 ILE 20 2HG1 ILE 20 3.403 -12.952 6.168 154 2HG1 ILE 20 1HG1 ILE 20 1.933 -13.514 5.378 155 1HG2 ILE 20 1HG2 ILE 20 3.135 -10.929 7.787 156 2HG2 ILE 20 2HG2 ILE 20 2.129 -9.647 7.112 157 3HG2 ILE 20 3HG2 ILE 20 3.472 -10.301 6.174 158 1HD1 ILE 20 1HD1 ILE 20 3.888 -11.468 4.379 159 2HD1 ILE 20 2HD1 ILE 20 2.314 -11.758 3.641 160 3HD1 ILE 20 3HD1 ILE 20 3.517 -13.046 3.685 161 H LEU 21 H LEU 21 -0.430 -10.065 6.919 162 HA LEU 21 HA LEU 21 0.174 -8.657 9.208 163 1HB LEU 21 2HB LEU 21 -1.442 -7.058 8.622 164 2HB LEU 21 1HB LEU 21 -0.719 -7.646 7.152 165 HG LEU 21 HG LEU 21 -3.428 -7.392 7.768 166 1HD1 LEU 21 1HD1 LEU 21 -1.839 -8.554 5.524 167 2HD1 LEU 21 2HD1 LEU 21 -2.790 -7.071 5.575 168 3HD1 LEU 21 3HD1 LEU 21 -3.600 -8.633 5.504 169 1HD2 LEU 21 1HD2 LEU 21 -4.161 -9.746 7.348 170 2HD2 LEU 21 2HD2 LEU 21 -3.505 -9.412 8.944 171 3HD2 LEU 21 3HD2 LEU 21 -2.515 -10.232 7.738 172 H GLU 22 H GLU 22 -1.728 -11.380 9.047 173 HA GLU 22 HA GLU 22 -3.388 -10.690 11.323 174 1HB GLU 22 2HB GLU 22 -3.220 -12.965 9.424 175 2HB GLU 22 1HB GLU 22 -3.869 -13.288 11.024 176 1HG GLU 22 2HG GLU 22 -5.295 -11.117 10.438 177 2HG GLU 22 1HG GLU 22 -4.998 -11.700 8.802 178 H GLU 23 H GLU 23 -0.425 -12.347 10.589 179 HA GLU 23 HA GLU 23 -0.270 -13.667 13.156 180 1HB GLU 23 2HB GLU 23 0.717 -14.867 11.371 181 2HB GLU 23 1HB GLU 23 1.562 -13.446 10.774 182 1HG GLU 23 2HG GLU 23 3.328 -13.843 12.048 183 2HG GLU 23 1HG GLU 23 2.335 -14.096 13.482 184 H GLU 24 H GLU 24 1.040 -10.823 11.568 185 HA GLU 24 HA GLU 24 2.875 -10.180 13.671 186 1HB GLU 24 2HB GLU 24 1.929 -8.811 11.192 187 2HB GLU 24 1HB GLU 24 2.814 -7.896 12.405 188 1HG GLU 24 2HG GLU 24 4.188 -8.832 10.530 189 2HG GLU 24 1HG GLU 24 4.738 -9.239 12.155 190 H GLY 25 H GLY 25 -0.442 -9.407 12.922 191 1HA GLY 25 2HA GLY 25 -1.997 -8.694 14.554 192 2HA GLY 25 1HA GLY 25 -0.663 -8.068 15.508 193 H TYR 26 H TYR 26 -1.590 -7.539 12.127 194 HA TYR 26 HA TYR 26 -1.479 -4.648 12.623 195 1HB TYR 26 2HB TYR 26 -1.072 -6.360 10.202 196 2HB TYR 26 1HB TYR 26 -1.501 -4.669 10.005 197 HD1 TYR 26 1HD TYR 26 0.034 -2.906 10.872 198 HD2 TYR 26 2HD TYR 26 1.125 -7.017 10.818 199 HE1 TYR 26 1HE TYR 26 2.396 -2.275 11.124 200 HE2 TYR 26 2HE TYR 26 3.491 -6.399 11.071 201 HH TYR 26 HH TYR 26 4.495 -3.284 11.944 202 H HIS 27 H HIS 27 -2.915 -3.626 10.613 203 HA HIS 27 HA HIS 27 -5.574 -4.828 10.640 204 1HB HIS 27 2HB HIS 27 -5.016 -2.901 12.478 205 2HB HIS 27 1HB HIS 27 -5.567 -1.913 11.129 206 HD1 HIS 27 1HD HIS 27 -6.815 -5.047 12.909 207 HD2 HIS 27 2HD HIS 27 -8.229 -1.517 11.234 208 HE1 HIS 27 1HE HIS 27 -9.300 -5.065 13.299 209 HE2 HIS 27 2HE HIS 27 -10.140 -2.941 12.236 210 HA PRO 28 HA PRO 28 -4.574 -3.090 6.539 211 1HB PRO 28 2HB PRO 28 -5.471 -5.126 5.063 212 2HB PRO 28 1HB PRO 28 -3.915 -5.207 5.898 213 1HG PRO 28 2HG PRO 28 -6.546 -6.391 6.684 214 2HG PRO 28 1HG PRO 28 -4.931 -7.108 6.766 215 1HD PRO 28 2HD PRO 28 -6.231 -5.963 8.908 216 2HD PRO 28 1HD PRO 28 -4.469 -6.115 8.781 217 H ASP 29 H ASP 29 -5.863 -1.828 5.350 218 HA ASP 29 HA ASP 29 -8.734 -2.044 5.804 219 1HB ASP 29 2HB ASP 29 -6.970 0.175 5.626 220 2HB ASP 29 1HB ASP 29 -8.188 0.314 4.363 221 H THR 30 H THR 30 -6.611 -3.053 3.670 222 HA THR 30 HA THR 30 -6.593 -3.082 1.295 223 HB THR 30 HB THR 30 -7.432 -5.238 0.822 224 HG1 THR 30 1HG THR 30 -9.303 -5.827 1.518 225 1HG2 THR 30 1HG2 THR 30 -6.315 -6.457 2.344 226 2HG2 THR 30 2HG2 THR 30 -7.131 -5.701 3.713 227 3HG2 THR 30 3HG2 THR 30 -5.797 -4.871 2.913 228 H ALA 31 H ALA 31 -7.376 -2.153 -0.414 229 HA ALA 31 HA ALA 31 -10.270 -1.626 -0.575 230 1HB ALA 31 1HB ALA 31 -8.691 0.354 -0.477 231 2HB ALA 31 2HB ALA 31 -9.815 0.326 -1.835 232 3HB ALA 31 3HB ALA 31 -8.130 -0.132 -2.076 233 H LYS 32 H LYS 32 -10.320 -0.948 -3.314 234 HA LYS 32 HA LYS 32 -9.675 -3.548 -4.546 235 1HB LYS 32 2HB LYS 32 -11.926 -1.763 -5.446 236 2HB LYS 32 1HB LYS 32 -11.665 -3.462 -5.818 237 1HG LYS 32 2HG LYS 32 -12.128 -4.040 -3.487 238 2HG LYS 32 1HG LYS 32 -12.408 -2.336 -3.127 239 1HD LYS 32 2HD LYS 32 -14.072 -2.671 -5.227 240 2HD LYS 32 1HD LYS 32 -14.120 -4.289 -4.522 241 1HE LYS 32 2HE LYS 32 -14.598 -3.189 -2.309 242 2HE LYS 32 1HE LYS 32 -14.798 -1.674 -3.190 243 1HZ LYS 32 1HZ LYS 32 -16.672 -2.477 -4.288 244 2HZ LYS 32 2HZ LYS 32 -16.870 -3.039 -2.704 245 3HZ LYS 32 3HZ LYS 32 -16.336 -4.092 -3.915 246 H THR 33 H THR 33 -9.599 -0.082 -4.870 247 HA THR 33 HA THR 33 -7.578 -0.224 -6.869 248 HB THR 33 HB THR 33 -9.678 1.379 -8.067 249 HG1 THR 33 1HG THR 33 -11.207 0.001 -7.476 250 1HG2 THR 33 1HG2 THR 33 -7.569 0.406 -9.128 251 2HG2 THR 33 2HG2 THR 33 -9.068 0.346 -10.054 252 3HG2 THR 33 3HG2 THR 33 -8.481 -1.100 -9.234 253 H LEU 34 H LEU 34 -7.685 2.283 -7.941 254 HA LEU 34 HA LEU 34 -6.768 3.885 -5.807 255 1HB LEU 34 2HB LEU 34 -7.605 4.882 -8.524 256 2HB LEU 34 1HB LEU 34 -6.437 5.603 -7.433 257 HG LEU 34 HG LEU 34 -6.094 2.977 -8.884 258 1HD1 LEU 34 1HD1 LEU 34 -4.418 5.402 -9.328 259 2HD1 LEU 34 2HD1 LEU 34 -5.982 5.266 -10.132 260 3HD1 LEU 34 3HD1 LEU 34 -4.740 4.043 -10.403 261 1HD2 LEU 34 1HD2 LEU 34 -5.017 3.339 -6.557 262 2HD2 LEU 34 2HD2 LEU 34 -3.946 4.449 -7.412 263 3HD2 LEU 34 3HD2 LEU 34 -4.016 2.752 -7.886 264 H ARG 35 H ARG 35 -9.780 3.905 -7.678 265 HA ARG 35 HA ARG 35 -10.932 6.192 -6.564 266 1HB ARG 35 2HB ARG 35 -11.867 3.845 -8.060 267 2HB ARG 35 1HB ARG 35 -13.088 4.541 -7.003 268 1HG ARG 35 2HG ARG 35 -13.509 5.839 -8.783 269 2HG ARG 35 1HG ARG 35 -12.143 6.775 -8.173 270 1HD ARG 35 2HD ARG 35 -11.923 6.353 -10.565 271 2HD ARG 35 1HD ARG 35 -10.638 5.562 -9.658 272 HE ARG 35 HE ARG 35 -13.004 4.153 -10.716 273 1HH1 ARG 35 1HH1 ARG 35 -9.587 4.247 -9.965 274 2HH1 ARG 35 2HH1 ARG 35 -9.294 2.650 -10.561 275 1HH2 ARG 35 1HH2 ARG 35 -12.605 2.058 -11.494 276 2HH2 ARG 35 2HH2 ARG 35 -11.001 1.409 -11.426 277 H GLU 36 H GLU 36 -11.253 2.792 -5.570 278 HA GLU 36 HA GLU 36 -12.826 3.364 -3.275 279 1HB GLU 36 2HB GLU 36 -11.283 0.956 -4.206 280 2HB GLU 36 1HB GLU 36 -12.037 0.986 -2.618 281 1HG GLU 36 2HG GLU 36 -13.833 0.172 -3.643 282 2HG GLU 36 1HG GLU 36 -14.074 1.812 -4.242 283 H ALA 37 H ALA 37 -9.399 3.229 -3.908 284 HA ALA 37 HA ALA 37 -8.606 3.110 -1.158 285 1HB ALA 37 1HB ALA 37 -6.974 3.964 -3.546 286 2HB ALA 37 2HB ALA 37 -7.180 2.298 -3.009 287 3HB ALA 37 3HB ALA 37 -6.363 3.464 -1.970 288 H GLU 38 H GLU 38 -9.357 5.646 -3.433 289 HA GLU 38 HA GLU 38 -8.172 7.762 -1.915 290 1HB GLU 38 2HB GLU 38 -10.148 7.683 -4.178 291 2HB GLU 38 1HB GLU 38 -9.719 9.190 -3.381 292 1HG GLU 38 2HG GLU 38 -7.401 8.897 -4.000 293 2HG GLU 38 1HG GLU 38 -7.768 7.331 -4.720 294 H LYS 39 H LYS 39 -11.336 6.267 -2.136 295 HA LYS 39 HA LYS 39 -12.696 8.137 -0.486 296 1HB LYS 39 2HB LYS 39 -13.957 6.704 -1.967 297 2HB LYS 39 1HB LYS 39 -13.312 5.263 -1.195 298 1HG LYS 39 2HG LYS 39 -14.865 7.225 0.426 299 2HG LYS 39 1HG LYS 39 -15.711 6.094 -0.631 300 1HD LYS 39 2HD LYS 39 -14.111 4.351 0.548 301 2HD LYS 39 1HD LYS 39 -14.103 5.575 1.819 302 1HE LYS 39 2HE LYS 39 -16.655 5.531 1.615 303 2HE LYS 39 1HE LYS 39 -16.430 4.035 0.709 304 1HZ LYS 39 1HZ LYS 39 -16.719 4.118 3.345 305 2HZ LYS 39 2HZ LYS 39 -15.033 4.210 3.250 306 3HZ LYS 39 3HZ LYS 39 -15.849 2.904 2.550 307 H LYS 40 H LYS 40 -10.880 5.187 0.112 308 HA LYS 40 HA LYS 40 -11.597 5.006 2.879 309 1HB LYS 40 2HB LYS 40 -9.463 3.691 1.214 310 2HB LYS 40 1HB LYS 40 -9.630 3.395 2.939 311 1HG LYS 40 2HG LYS 40 -12.148 3.084 1.544 312 2HG LYS 40 1HG LYS 40 -10.893 2.028 0.894 313 1HD LYS 40 2HD LYS 40 -10.548 0.980 2.970 314 2HD LYS 40 1HD LYS 40 -11.407 2.247 3.846 315 1HE LYS 40 2HE LYS 40 -13.221 0.963 3.752 316 2HE LYS 40 1HE LYS 40 -13.260 1.261 2.014 317 1HZ LYS 40 1HZ LYS 40 -13.166 -0.985 1.989 318 2HZ LYS 40 2HZ LYS 40 -12.368 -1.099 3.475 319 3HZ LYS 40 3HZ LYS 40 -11.500 -0.697 2.080 320 H ILE 41 H ILE 41 -9.031 6.508 1.037 321 HA ILE 41 HA ILE 41 -7.510 7.182 3.416 322 HB ILE 41 HB ILE 41 -7.071 8.003 0.544 323 1HG1 ILE 41 2HG1 ILE 41 -5.397 6.009 2.023 324 2HG1 ILE 41 1HG1 ILE 41 -6.923 5.495 1.310 325 1HG2 ILE 41 1HG2 ILE 41 -5.680 8.634 3.063 326 2HG2 ILE 41 2HG2 ILE 41 -5.771 9.544 1.555 327 3HG2 ILE 41 3HG2 ILE 41 -4.651 8.189 1.702 328 1HD1 ILE 41 1HD1 ILE 41 -6.056 6.495 -0.860 329 2HD1 ILE 41 2HD1 ILE 41 -5.296 5.008 -0.292 330 3HD1 ILE 41 3HD1 ILE 41 -4.484 6.556 -0.065 331 H LYS 42 H LYS 42 -9.906 8.617 1.364 332 HA LYS 42 HA LYS 42 -9.474 11.318 1.678 333 1HB LYS 42 2HB LYS 42 -11.558 9.688 0.765 334 2HB LYS 42 1HB LYS 42 -12.274 10.763 1.956 335 1HG LYS 42 2HG LYS 42 -10.480 12.084 0.056 336 2HG LYS 42 1HG LYS 42 -11.915 11.356 -0.669 337 1HD LYS 42 2HD LYS 42 -12.121 13.088 1.772 338 2HD LYS 42 1HD LYS 42 -12.049 13.796 0.158 339 1HE LYS 42 2HE LYS 42 -14.039 12.673 -0.511 340 2HE LYS 42 1HE LYS 42 -14.041 11.682 0.947 341 1HZ LYS 42 1HZ LYS 42 -14.926 13.332 2.175 342 2HZ LYS 42 2HZ LYS 42 -15.496 13.881 0.679 343 3HZ LYS 42 3HZ LYS 42 -14.101 14.559 1.354 344 H GLU 43 H GLU 43 -10.516 9.013 4.040 345 HA GLU 43 HA GLU 43 -10.801 11.190 5.992 346 1HB GLU 43 2HB GLU 43 -12.324 8.581 5.970 347 2HB GLU 43 1HB GLU 43 -12.462 9.842 7.186 348 1HG GLU 43 2HG GLU 43 -13.277 11.385 5.436 349 2HG GLU 43 1HG GLU 43 -13.232 10.051 4.286 350 H LEU 44 H LEU 44 -10.397 7.645 5.910 351 HA LEU 44 HA LEU 44 -9.040 7.461 8.354 352 1HB LEU 44 2HB LEU 44 -9.823 5.705 6.255 353 2HB LEU 44 1HB LEU 44 -8.135 5.395 6.608 354 HG LEU 44 HG LEU 44 -9.529 3.910 7.908 355 1HD1 LEU 44 1HD1 LEU 44 -7.604 4.364 9.099 356 2HD1 LEU 44 2HD1 LEU 44 -8.865 4.782 10.260 357 3HD1 LEU 44 3HD1 LEU 44 -8.037 6.053 9.360 358 1HD2 LEU 44 1HD2 LEU 44 -11.574 5.175 7.977 359 2HD2 LEU 44 2HD2 LEU 44 -10.810 6.432 8.950 360 3HD2 LEU 44 3HD2 LEU 44 -11.061 4.823 9.627 361 H PHE 45 H PHE 45 -7.069 8.075 8.928 362 HA PHE 45 HA PHE 45 -5.164 8.864 6.868 363 1HB PHE 45 2HB PHE 45 -5.619 10.404 8.741 364 2HB PHE 45 1HB PHE 45 -5.033 9.192 9.874 365 HD1 PHE 45 1HD PHE 45 -4.062 11.517 7.197 366 HD2 PHE 45 2HD PHE 45 -2.703 8.830 10.204 367 HE1 PHE 45 1HE PHE 45 -1.777 12.394 6.943 368 HE2 PHE 45 2HE PHE 45 -0.416 9.703 9.956 369 HZ PHE 45 HZ PHE 45 0.049 11.487 8.323 370 H PHE 46 H PHE 46 -4.793 6.605 6.231 371 HA PHE 46 HA PHE 46 -3.638 4.712 7.971 372 1HB PHE 46 2HB PHE 46 -3.357 4.955 4.969 373 2HB PHE 46 1HB PHE 46 -2.949 3.531 5.918 374 HD1 PHE 46 1HD PHE 46 -5.331 4.874 3.835 375 HD2 PHE 46 2HD PHE 46 -4.998 2.784 7.527 376 HE1 PHE 46 1HE PHE 46 -7.631 4.045 3.567 377 HE2 PHE 46 2HE PHE 46 -7.297 1.949 7.265 378 HZ PHE 46 HZ PHE 46 -8.618 2.582 5.283 379 HA PRO 47 HA PRO 47 0.514 6.337 8.099 380 1HB PRO 47 2HB PRO 47 1.532 3.987 9.320 381 2HB PRO 47 1HB PRO 47 0.971 5.450 10.130 382 1HG PRO 47 2HG PRO 47 -0.241 2.940 10.261 383 2HG PRO 47 1HG PRO 47 -0.981 4.476 10.734 384 1HD PRO 47 2HD PRO 47 -1.309 2.902 8.226 385 2HD PRO 47 1HD PRO 47 -2.490 3.899 9.100 386 H VAL 48 H VAL 48 -0.311 3.326 6.614 387 HA VAL 48 HA VAL 48 1.951 3.550 4.797 388 HB VAL 48 HB VAL 48 1.284 0.888 6.021 389 1HG1 VAL 48 1HG1 VAL 48 2.736 1.500 3.822 390 2HG1 VAL 48 2HG1 VAL 48 2.995 0.069 4.819 391 3HG1 VAL 48 3HG1 VAL 48 3.989 1.505 5.063 392 1HG2 VAL 48 1HG2 VAL 48 1.931 2.079 7.906 393 2HG2 VAL 48 2HG2 VAL 48 3.138 3.008 7.018 394 3HG2 VAL 48 3HG2 VAL 48 3.417 1.300 7.362 395 H ILE 49 H ILE 49 1.367 3.086 2.748 396 HA ILE 49 HA ILE 49 -1.223 1.766 2.313 397 HB ILE 49 HB ILE 49 0.089 3.717 0.425 398 1HG1 ILE 49 2HG1 ILE 49 -0.421 4.853 2.544 399 2HG1 ILE 49 1HG1 ILE 49 -1.487 5.404 1.255 400 1HG2 ILE 49 1HG2 ILE 49 -2.505 2.260 0.515 401 2HG2 ILE 49 2HG2 ILE 49 -1.425 2.559 -0.846 402 3HG2 ILE 49 3HG2 ILE 49 -2.450 3.856 -0.232 403 1HD1 ILE 49 1HD1 ILE 49 -2.111 3.683 3.613 404 2HD1 ILE 49 2HD1 ILE 49 -3.126 3.641 2.170 405 3HD1 ILE 49 3HD1 ILE 49 -2.911 5.152 3.053 406 H VAL 50 H VAL 50 -1.401 0.466 0.350 407 HA VAL 50 HA VAL 50 1.086 -0.305 -0.932 408 HB VAL 50 HB VAL 50 -0.578 -2.305 0.604 409 1HG1 VAL 50 1HG1 VAL 50 1.582 -3.694 -0.192 410 2HG1 VAL 50 2HG1 VAL 50 1.401 -2.606 -1.568 411 3HG1 VAL 50 3HG1 VAL 50 0.066 -3.657 -1.095 412 1HG2 VAL 50 1HG2 VAL 50 1.632 -2.689 1.759 413 2HG2 VAL 50 2HG2 VAL 50 0.838 -1.153 2.108 414 3HG2 VAL 50 3HG2 VAL 50 2.195 -1.209 0.983 415 H LEU 51 H LEU 51 0.348 0.280 -2.887 416 HA LEU 51 HA LEU 51 -2.225 -0.710 -3.836 417 1HB LEU 51 2HB LEU 51 -1.800 1.577 -4.353 418 2HB LEU 51 1HB LEU 51 -0.209 1.208 -4.988 419 HG LEU 51 HG LEU 51 -1.640 -0.240 -6.708 420 1HD1 LEU 51 1HD1 LEU 51 -3.710 0.887 -7.292 421 2HD1 LEU 51 2HD1 LEU 51 -3.509 1.994 -5.935 422 3HD1 LEU 51 3HD1 LEU 51 -3.780 0.277 -5.638 423 1HD2 LEU 51 1HD2 LEU 51 -1.012 2.693 -6.747 424 2HD2 LEU 51 2HD2 LEU 51 -1.721 1.877 -8.140 425 3HD2 LEU 51 3HD2 LEU 51 -0.150 1.365 -7.525 426 H ASP 52 H ASP 52 -2.455 -2.391 -5.139 427 HA ASP 52 HA ASP 52 -0.041 -3.636 -6.260 428 1HB ASP 52 2HB ASP 52 -1.454 -4.905 -4.537 429 2HB ASP 52 1HB ASP 52 -2.671 -5.038 -5.803 430 H VAL 53 H VAL 53 0.185 -3.333 -8.370 431 HA VAL 53 HA VAL 53 -2.006 -2.501 -10.023 432 HB VAL 53 HB VAL 53 -0.413 -2.190 -11.762 433 1HG1 VAL 53 1HG1 VAL 53 0.935 -0.591 -10.799 434 2HG1 VAL 53 2HG1 VAL 53 1.271 -1.577 -9.376 435 3HG1 VAL 53 3HG1 VAL 53 -0.301 -0.799 -9.559 436 1HG2 VAL 53 1HG2 VAL 53 1.226 -3.648 -12.134 437 2HG2 VAL 53 2HG2 VAL 53 0.909 -4.429 -10.587 438 3HG2 VAL 53 3HG2 VAL 53 2.048 -3.088 -10.678 439 H TRP 54 H TRP 54 -2.966 -4.813 -9.251 440 HA TRP 54 HA TRP 54 -2.136 -7.104 -10.667 441 1HB TRP 54 2HB TRP 54 -3.569 -7.281 -8.706 442 2HB TRP 54 1HB TRP 54 -4.861 -6.422 -9.538 443 HD1 TRP 54 HD TRP 54 -6.699 -8.104 -10.118 444 HE1 TRP 54 1HE TRP 54 -6.787 -10.502 -11.049 445 HE3 TRP 54 3HE TRP 54 -1.688 -9.052 -10.379 446 HZ2 TRP 54 2HZ TRP 54 -4.968 -12.527 -11.799 447 HZ3 TRP 54 3HZ TRP 54 -0.941 -11.244 -11.215 448 HH2 TRP 54 HH TRP 54 -2.549 -12.945 -11.910 449 H MET 55 H MET 55 -5.355 -5.744 -11.235 450 HA MET 55 HA MET 55 -4.771 -5.388 -14.062 451 1HB MET 55 2HB MET 55 -5.498 -7.795 -13.650 452 2HB MET 55 1HB MET 55 -7.075 -7.143 -13.227 453 1HG MET 55 2HG MET 55 -7.184 -6.098 -15.472 454 2HG MET 55 1HG MET 55 -5.673 -6.909 -15.878 455 1HE MET 55 1HE MET 55 -7.300 -9.596 -17.836 456 2HE MET 55 2HE MET 55 -5.821 -8.725 -17.434 457 3HE MET 55 3HE MET 55 -7.219 -7.848 -18.055 458 HA PRO 56 HA PRO 56 -8.134 -2.635 -12.129 459 1HB PRO 56 2HB PRO 56 -6.737 -0.442 -11.454 460 2HB PRO 56 1HB PRO 56 -6.878 -1.824 -10.361 461 1HG PRO 56 2HG PRO 56 -4.624 -1.078 -12.184 462 2HG PRO 56 1HG PRO 56 -4.561 -1.635 -10.503 463 1HD PRO 56 2HD PRO 56 -4.118 -3.266 -12.645 464 2HD PRO 56 1HD PRO 56 -4.774 -3.839 -11.098 465 H ASP 57 H ASP 57 -8.144 0.009 -12.710 466 HA ASP 57 HA ASP 57 -7.488 0.155 -15.577 467 1HB ASP 57 2HB ASP 57 -9.977 1.235 -14.240 468 2HB ASP 57 1HB ASP 57 -9.569 1.396 -15.946 469 H GLY 58 H GLY 58 -8.128 1.990 -12.611 470 1HA GLY 58 2HA GLY 58 -7.373 4.517 -13.617 471 2HA GLY 58 1HA GLY 58 -7.413 4.059 -11.921 472 H ASP 59 H ASP 59 -5.477 5.698 -13.441 473 HA ASP 59 HA ASP 59 -3.064 4.161 -13.643 474 1HB ASP 59 2HB ASP 59 -3.743 6.394 -14.846 475 2HB ASP 59 1HB ASP 59 -3.069 7.147 -13.404 476 H GLY 60 H GLY 60 -1.943 3.457 -11.956 477 1HA GLY 60 2HA GLY 60 -2.362 4.459 -9.311 478 2HA GLY 60 1HA GLY 60 -1.180 3.251 -9.791 479 H VAL 61 H VAL 61 0.032 5.044 -11.798 480 HA VAL 61 HA VAL 61 2.114 6.092 -10.320 481 HB VAL 61 HB VAL 61 1.181 7.147 -12.989 482 1HG1 VAL 61 1HG1 VAL 61 3.748 7.247 -11.465 483 2HG1 VAL 61 2HG1 VAL 61 2.877 8.548 -12.276 484 3HG1 VAL 61 3HG1 VAL 61 3.744 7.341 -13.227 485 1HG2 VAL 61 1HG2 VAL 61 2.693 4.657 -12.267 486 2HG2 VAL 61 2HG2 VAL 61 2.881 5.426 -13.843 487 3HG2 VAL 61 3HG2 VAL 61 1.299 4.837 -13.334 488 H ASN 62 H ASN 62 -0.781 7.743 -11.547 489 HA ASN 62 HA ASN 62 0.006 10.260 -10.382 490 1HB ASN 62 2HB ASN 62 -1.781 9.441 -12.399 491 2HB ASN 62 1HB ASN 62 -2.774 10.176 -11.144 492 1HD2 ASN 62 1HD2 ASN 62 0.376 10.786 -12.667 493 2HD2 ASN 62 2HD2 ASN 62 0.112 12.473 -12.929 494 H PHE 63 H PHE 63 -1.126 7.522 -8.991 495 HA PHE 63 HA PHE 63 -3.039 8.787 -7.203 496 1HB PHE 63 2HB PHE 63 -3.510 6.517 -7.986 497 2HB PHE 63 1HB PHE 63 -1.997 5.947 -7.289 498 HD1 PHE 63 1HD PHE 63 -4.676 8.161 -5.946 499 HD2 PHE 63 2HD PHE 63 -2.493 4.531 -5.544 500 HE1 PHE 63 1HE PHE 63 -5.829 7.709 -3.821 501 HE2 PHE 63 2HE PHE 63 -3.643 4.072 -3.418 502 HZ PHE 63 HZ PHE 63 -5.313 5.662 -2.553 503 H ILE 64 H ILE 64 0.256 7.595 -7.189 504 HA ILE 64 HA ILE 64 0.853 7.425 -4.522 505 HB ILE 64 HB ILE 64 2.599 8.627 -6.675 506 1HG1 ILE 64 2HG1 ILE 64 3.390 5.998 -5.995 507 2HG1 ILE 64 1HG1 ILE 64 1.644 5.954 -6.214 508 1HG2 ILE 64 1HG2 ILE 64 4.145 7.284 -4.747 509 2HG2 ILE 64 2HG2 ILE 64 3.036 8.331 -3.862 510 3HG2 ILE 64 3HG2 ILE 64 4.099 9.013 -5.092 511 1HD1 ILE 64 1HD1 ILE 64 3.405 7.261 -8.243 512 2HD1 ILE 64 2HD1 ILE 64 1.784 6.594 -8.434 513 3HD1 ILE 64 3HD1 ILE 64 3.164 5.513 -8.234 514 H ASP 65 H ASP 65 0.203 10.307 -6.372 515 HA ASP 65 HA ASP 65 1.244 12.105 -4.375 516 1HB ASP 65 2HB ASP 65 1.173 12.683 -6.801 517 2HB ASP 65 1HB ASP 65 -0.585 12.710 -6.713 518 H PHE 66 H PHE 66 -1.868 10.707 -5.199 519 HA PHE 66 HA PHE 66 -3.496 12.415 -3.672 520 1HB PHE 66 2HB PHE 66 -4.395 10.829 -5.326 521 2HB PHE 66 1HB PHE 66 -3.893 9.482 -4.311 522 HD1 PHE 66 1HD PHE 66 -4.905 9.351 -1.958 523 HD2 PHE 66 2HD PHE 66 -6.501 11.763 -5.079 524 HE1 PHE 66 1HE PHE 66 -7.070 9.420 -0.792 525 HE2 PHE 66 2HE PHE 66 -8.669 11.837 -3.918 526 HZ PHE 66 HZ PHE 66 -8.955 10.665 -1.772 527 H ILE 67 H ILE 67 -1.674 9.511 -2.863 528 HA ILE 67 HA ILE 67 -2.649 9.184 -0.235 529 HB ILE 67 HB ILE 67 -0.011 8.360 -1.464 530 1HG1 ILE 67 2HG1 ILE 67 -1.269 6.065 -1.144 531 2HG1 ILE 67 1HG1 ILE 67 -2.703 7.087 -1.157 532 1HG2 ILE 67 1HG2 ILE 67 0.525 8.302 0.777 533 2HG2 ILE 67 2HG2 ILE 67 -0.125 6.681 0.532 534 3HG2 ILE 67 3HG2 ILE 67 -1.126 7.930 1.272 535 1HD1 ILE 67 1HD1 ILE 67 -0.752 7.509 -3.330 536 2HD1 ILE 67 2HD1 ILE 67 -2.515 7.554 -3.356 537 3HD1 ILE 67 3HD1 ILE 67 -1.672 6.005 -3.354 538 H LYS 68 H LYS 68 0.284 10.783 -1.483 539 HA LYS 68 HA LYS 68 1.093 11.763 1.056 540 1HB LYS 68 2HB LYS 68 2.654 13.185 -0.226 541 2HB LYS 68 1HB LYS 68 2.722 11.496 -0.710 542 1HG LYS 68 2HG LYS 68 2.708 12.476 -2.739 543 2HG LYS 68 1HG LYS 68 0.975 12.290 -2.486 544 1HD LYS 68 2HD LYS 68 0.650 14.499 -2.513 545 2HD LYS 68 1HD LYS 68 1.953 14.768 -1.355 546 1HE LYS 68 2HE LYS 68 3.587 14.815 -3.086 547 2HE LYS 68 1HE LYS 68 2.422 14.251 -4.284 548 1HZ LYS 68 1HZ LYS 68 1.221 16.463 -3.432 549 2HZ LYS 68 2HZ LYS 68 2.292 16.434 -4.742 550 3HZ LYS 68 3HZ LYS 68 2.834 16.918 -3.214 551 H GLU 69 H GLU 69 -1.095 12.870 -1.385 552 HA GLU 69 HA GLU 69 -1.214 15.600 -0.780 553 1HB GLU 69 2HB GLU 69 -2.272 14.430 -2.754 554 2HB GLU 69 1HB GLU 69 -3.541 13.900 -1.662 555 1HG GLU 69 2HG GLU 69 -4.398 16.022 -1.406 556 2HG GLU 69 1HG GLU 69 -2.885 16.800 -1.870 557 H ASN 70 H ASN 70 -2.951 12.835 0.563 558 HA ASN 70 HA ASN 70 -3.924 14.584 2.726 559 1HB ASN 70 2HB ASN 70 -5.270 11.999 2.006 560 2HB ASN 70 1HB ASN 70 -5.936 13.403 2.834 561 1HD2 ASN 70 1HD2 ASN 70 -4.643 12.357 -0.287 562 2HD2 ASN 70 2HD2 ASN 70 -5.667 13.361 -1.248 563 H SER 71 H SER 71 -1.440 12.808 2.353 564 HA SER 71 HA SER 71 -1.263 11.939 5.038 565 1HB SER 71 2HB SER 71 -2.600 10.124 3.420 566 2HB SER 71 1HB SER 71 -0.954 9.498 3.463 567 HG SER 71 HG SER 71 -2.679 9.044 5.249 568 HA PRO 72 HA PRO 72 2.738 12.433 2.807 569 1HB PRO 72 2HB PRO 72 3.457 14.666 4.381 570 2HB PRO 72 1HB PRO 72 2.898 14.682 2.709 571 1HG PRO 72 2HG PRO 72 1.529 15.720 4.923 572 2HG PRO 72 1HG PRO 72 0.850 15.428 3.315 573 1HD PRO 72 2HD PRO 72 0.647 13.783 5.790 574 2HD PRO 72 1HD PRO 72 -0.530 14.005 4.476 575 H ASP 73 H ASP 73 1.788 11.849 5.983 576 HA ASP 73 HA ASP 73 4.527 11.502 6.936 577 1HB ASP 73 2HB ASP 73 2.564 12.637 8.255 578 2HB ASP 73 1HB ASP 73 2.151 10.972 8.654 579 H SER 74 H SER 74 1.968 9.742 5.643 580 HA SER 74 HA SER 74 2.411 7.237 6.911 581 1HB SER 74 2HB SER 74 1.240 6.978 4.287 582 2HB SER 74 1HB SER 74 0.493 6.752 5.865 583 HG SER 74 HG SER 74 0.696 9.112 4.335 584 H VAL 75 H VAL 75 2.418 5.629 4.470 585 HA VAL 75 HA VAL 75 5.017 6.184 3.290 586 HB VAL 75 HB VAL 75 4.473 3.505 4.570 587 1HG1 VAL 75 1HG1 VAL 75 6.531 4.596 2.712 588 2HG1 VAL 75 2HG1 VAL 75 5.831 2.980 2.796 589 3HG1 VAL 75 3HG1 VAL 75 7.070 3.467 3.954 590 1HG2 VAL 75 1HG2 VAL 75 5.029 4.757 6.406 591 2HG2 VAL 75 2HG2 VAL 75 5.965 5.921 5.469 592 3HG2 VAL 75 3HG2 VAL 75 6.643 4.334 5.834 593 H VAL 76 H VAL 76 5.156 5.652 1.252 594 HA VAL 76 HA VAL 76 2.906 4.199 0.045 595 HB VAL 76 HB VAL 76 4.902 6.077 -1.220 596 1HG1 VAL 76 1HG1 VAL 76 4.157 4.401 -2.818 597 2HG1 VAL 76 2HG1 VAL 76 3.452 5.972 -3.202 598 3HG1 VAL 76 3HG1 VAL 76 2.475 4.737 -2.409 599 1HG2 VAL 76 1HG2 VAL 76 2.241 6.443 -0.010 600 2HG2 VAL 76 2HG2 VAL 76 2.525 7.275 -1.539 601 3HG2 VAL 76 3HG2 VAL 76 3.588 7.571 -0.162 602 H ILE 77 H ILE 77 3.478 2.071 0.083 603 HA ILE 77 HA ILE 77 6.147 1.275 -0.767 604 HB ILE 77 HB ILE 77 3.837 -0.454 0.124 605 1HG1 ILE 77 2HG1 ILE 77 4.593 1.073 1.896 606 2HG1 ILE 77 1HG1 ILE 77 5.025 -0.593 2.267 607 1HG2 ILE 77 1HG2 ILE 77 5.611 -1.521 -1.317 608 2HG2 ILE 77 2HG2 ILE 77 5.384 -2.246 0.275 609 3HG2 ILE 77 3HG2 ILE 77 6.755 -1.177 -0.021 610 1HD1 ILE 77 1HD1 ILE 77 7.307 -0.193 1.633 611 2HD1 ILE 77 2HD1 ILE 77 6.803 1.035 2.794 612 3HD1 ILE 77 3HD1 ILE 77 6.907 1.433 1.079 613 H VAL 78 H VAL 78 2.788 0.443 -1.701 614 HA VAL 78 HA VAL 78 1.939 -0.390 -3.665 615 HB VAL 78 HB VAL 78 4.032 1.421 -4.899 616 1HG1 VAL 78 1HG1 VAL 78 1.341 0.752 -6.049 617 2HG1 VAL 78 2HG1 VAL 78 2.738 -0.284 -6.335 618 3HG1 VAL 78 3HG1 VAL 78 2.766 1.398 -6.860 619 1HG2 VAL 78 1HG2 VAL 78 1.314 2.450 -4.710 620 2HG2 VAL 78 2HG2 VAL 78 2.848 3.217 -4.301 621 3HG2 VAL 78 3HG2 VAL 78 2.050 2.164 -3.134 622 H ILE 79 H ILE 79 2.692 -2.541 -3.343 623 HA ILE 79 HA ILE 79 5.210 -3.250 -4.640 624 HB ILE 79 HB ILE 79 3.496 -5.307 -3.339 625 1HG1 ILE 79 2HG1 ILE 79 5.279 -3.407 -1.807 626 2HG1 ILE 79 1HG1 ILE 79 3.521 -3.364 -1.783 627 1HG2 ILE 79 1HG2 ILE 79 5.791 -6.102 -2.660 628 2HG2 ILE 79 2HG2 ILE 79 6.442 -4.813 -3.672 629 3HG2 ILE 79 3HG2 ILE 79 5.465 -6.091 -4.393 630 1HD1 ILE 79 1HD1 ILE 79 3.674 -4.683 -0.004 631 2HD1 ILE 79 2HD1 ILE 79 5.365 -5.063 -0.329 632 3HD1 ILE 79 3HD1 ILE 79 4.087 -5.971 -1.136 633 H THR 80 H THR 80 5.401 -4.631 -6.319 634 HA THR 80 HA THR 80 3.723 -6.387 -7.474 635 HB THR 80 HB THR 80 2.924 -4.649 -9.437 636 HG1 THR 80 1HG THR 80 2.024 -3.264 -7.221 637 1HG2 THR 80 1HG2 THR 80 1.690 -6.378 -7.716 638 2HG2 THR 80 2HG2 THR 80 0.901 -5.440 -8.981 639 3HG2 THR 80 3HG2 THR 80 0.934 -4.836 -7.328 640 H GLY 81 H GLY 81 3.942 -6.237 -10.116 641 1HA GLY 81 2HA GLY 81 6.409 -5.099 -11.015 642 2HA GLY 81 1HA GLY 81 6.563 -6.819 -10.697 643 H HIS 82 H HIS 82 4.300 -7.914 -11.592 644 HA HIS 82 HA HIS 82 3.257 -8.667 -13.466 645 1HB HIS 82 2HB HIS 82 2.345 -6.297 -13.348 646 2HB HIS 82 1HB HIS 82 3.551 -5.868 -14.555 647 HD1 HIS 82 1HD HIS 82 0.853 -8.545 -14.233 648 HD2 HIS 82 2HD HIS 82 2.514 -5.968 -17.039 649 HE1 HIS 82 1HE HIS 82 -0.450 -8.926 -16.351 650 HE2 HIS 82 2HE HIS 82 0.614 -7.402 -18.051 651 H GLY 83 H GLY 83 6.187 -8.710 -13.287 652 1HA GLY 83 2HA GLY 83 7.235 -10.021 -15.188 653 2HA GLY 83 1HA GLY 83 6.872 -8.600 -16.157 654 H SER 84 H SER 84 7.647 -6.508 -14.723 655 HA SER 84 HA SER 84 10.380 -7.037 -13.805 656 1HB SER 84 2HB SER 84 10.418 -6.366 -16.222 657 2HB SER 84 1HB SER 84 9.698 -4.826 -15.753 658 HG SER 84 HG SER 84 12.146 -5.833 -14.729 659 H VAL 85 H VAL 85 11.269 -4.571 -13.266 660 HA VAL 85 HA VAL 85 9.307 -3.552 -11.319 661 HB VAL 85 HB VAL 85 12.307 -3.242 -11.181 662 1HG1 VAL 85 1HG1 VAL 85 10.020 -2.407 -9.501 663 2HG1 VAL 85 2HG1 VAL 85 11.582 -1.631 -9.762 664 3HG1 VAL 85 3HG1 VAL 85 11.451 -3.001 -8.658 665 1HG2 VAL 85 1HG2 VAL 85 10.503 -5.388 -10.129 666 2HG2 VAL 85 2HG2 VAL 85 11.982 -4.960 -9.268 667 3HG2 VAL 85 3HG2 VAL 85 12.067 -5.536 -10.934 668 H ASP 86 H ASP 86 9.169 -2.649 -13.952 669 HA ASP 86 HA ASP 86 10.583 -0.136 -14.158 670 1HB ASP 86 2HB ASP 86 9.177 0.135 -16.238 671 2HB ASP 86 1HB ASP 86 10.205 -1.294 -16.216 672 H THR 87 H THR 87 7.479 -1.253 -13.049 673 HA THR 87 HA THR 87 6.168 1.280 -13.168 674 HB THR 87 HB THR 87 5.066 -1.031 -13.013 675 HG1 THR 87 1HG THR 87 3.323 -0.152 -11.817 676 1HG2 THR 87 1HG2 THR 87 6.212 -1.938 -11.088 677 2HG2 THR 87 2HG2 THR 87 4.486 -1.790 -10.757 678 3HG2 THR 87 3HG2 THR 87 5.617 -0.616 -10.083 679 H ALA 88 H ALA 88 8.120 -0.419 -10.821 680 HA ALA 88 HA ALA 88 7.637 1.112 -8.545 681 1HB ALA 88 1HB ALA 88 9.944 0.427 -7.863 682 2HB ALA 88 2HB ALA 88 10.151 -0.267 -9.471 683 3HB ALA 88 3HB ALA 88 8.916 -0.908 -8.387 684 H VAL 89 H VAL 89 10.293 1.454 -10.873 685 HA VAL 89 HA VAL 89 11.341 3.843 -9.930 686 HB VAL 89 HB VAL 89 12.307 4.143 -12.179 687 1HG1 VAL 89 1HG1 VAL 89 12.567 1.227 -11.793 688 2HG1 VAL 89 2HG1 VAL 89 12.923 2.240 -10.393 689 3HG1 VAL 89 3HG1 VAL 89 13.809 2.475 -11.900 690 1HG2 VAL 89 1HG2 VAL 89 11.742 2.809 -14.029 691 2HG2 VAL 89 2HG2 VAL 89 10.196 3.304 -13.339 692 3HG2 VAL 89 3HG2 VAL 89 10.817 1.681 -13.039 693 H LYS 90 H LYS 90 8.462 3.244 -11.766 694 HA LYS 90 HA LYS 90 8.164 6.000 -12.613 695 1HB LYS 90 2HB LYS 90 7.400 4.179 -14.064 696 2HB LYS 90 1HB LYS 90 6.275 3.651 -12.821 697 1HG LYS 90 2HG LYS 90 4.910 5.530 -13.096 698 2HG LYS 90 1HG LYS 90 6.153 6.409 -13.989 699 1HD LYS 90 2HD LYS 90 4.981 3.845 -15.025 700 2HD LYS 90 1HD LYS 90 4.206 5.403 -15.321 701 1HE LYS 90 2HE LYS 90 6.777 5.948 -16.008 702 2HE LYS 90 1HE LYS 90 6.651 4.253 -16.476 703 1HZ LYS 90 1HZ LYS 90 6.041 5.709 -18.295 704 2HZ LYS 90 2HZ LYS 90 4.837 6.435 -17.355 705 3HZ LYS 90 3HZ LYS 90 4.700 4.807 -17.796 706 H ALA 91 H ALA 91 7.952 4.717 -9.683 707 HA ALA 91 HA ALA 91 5.749 6.492 -8.905 708 1HB ALA 91 1HB ALA 91 4.953 4.861 -7.277 709 2HB ALA 91 2HB ALA 91 6.176 3.713 -7.818 710 3HB ALA 91 3HB ALA 91 4.886 4.207 -8.913 711 H ILE 92 H ILE 92 8.630 4.699 -7.867 712 HA ILE 92 HA ILE 92 8.851 5.925 -5.334 713 HB ILE 92 HB ILE 92 11.012 4.994 -5.152 714 1HG1 ILE 92 2HG1 ILE 92 11.016 4.664 -8.164 715 2HG1 ILE 92 1HG1 ILE 92 11.961 5.844 -7.260 716 1HG2 ILE 92 1HG2 ILE 92 10.670 2.661 -6.146 717 2HG2 ILE 92 2HG2 ILE 92 9.141 3.288 -6.757 718 3HG2 ILE 92 3HG2 ILE 92 9.453 3.266 -5.023 719 1HD1 ILE 92 1HD1 ILE 92 12.543 3.325 -6.154 720 2HD1 ILE 92 2HD1 ILE 92 13.593 4.366 -7.116 721 3HD1 ILE 92 3HD1 ILE 92 12.597 3.144 -7.907 722 H LYS 93 H LYS 93 9.482 7.101 -8.477 723 HA LYS 93 HA LYS 93 11.270 9.196 -7.508 724 1HB LYS 93 2HB LYS 93 10.424 8.259 -10.230 725 2HB LYS 93 1HB LYS 93 11.134 9.854 -10.026 726 1HG LYS 93 2HG LYS 93 12.803 8.066 -8.644 727 2HG LYS 93 1HG LYS 93 12.419 7.305 -10.188 728 1HD LYS 93 2HD LYS 93 12.924 9.909 -10.906 729 2HD LYS 93 1HD LYS 93 14.083 9.634 -9.603 730 1HE LYS 93 2HE LYS 93 15.172 7.949 -10.750 731 2HE LYS 93 1HE LYS 93 13.775 7.599 -11.767 732 1HZ LYS 93 1HZ LYS 93 15.204 8.688 -13.194 733 2HZ LYS 93 2HZ LYS 93 15.746 9.775 -12.016 734 3HZ LYS 93 3HZ LYS 93 14.200 9.951 -12.682 735 H LYS 94 H LYS 94 8.321 8.935 -6.881 736 HA LYS 94 HA LYS 94 7.629 11.697 -7.554 737 1HB LYS 94 2HB LYS 94 5.767 9.336 -7.840 738 2HB LYS 94 1HB LYS 94 5.286 11.022 -7.976 739 1HG LYS 94 2HG LYS 94 7.267 9.632 -9.769 740 2HG LYS 94 1HG LYS 94 5.574 9.944 -10.160 741 1HD LYS 94 2HD LYS 94 7.601 12.080 -9.504 742 2HD LYS 94 1HD LYS 94 7.150 11.599 -11.141 743 1HE LYS 94 2HE LYS 94 5.306 12.846 -11.082 744 2HE LYS 94 1HE LYS 94 4.816 12.165 -9.532 745 1HZ LYS 94 1HZ LYS 94 6.780 13.781 -8.760 746 2HZ LYS 94 2HZ LYS 94 5.161 14.264 -8.846 747 3HZ LYS 94 3HZ LYS 94 6.224 14.639 -10.109 748 H GLY 95 H GLY 95 6.617 8.835 -5.672 749 1HA GLY 95 2HA GLY 95 6.738 10.315 -3.224 750 2HA GLY 95 1HA GLY 95 5.085 10.070 -3.752 751 H ALA 96 H ALA 96 7.226 7.518 -4.613 752 HA ALA 96 HA ALA 96 5.920 5.814 -2.655 753 1HB ALA 96 1HB ALA 96 6.177 4.137 -4.099 754 2HB ALA 96 2HB ALA 96 7.879 4.510 -4.369 755 3HB ALA 96 3HB ALA 96 6.632 5.378 -5.265 756 H TYR 97 H TYR 97 7.453 3.993 -1.775 757 HA TYR 97 HA TYR 97 9.566 5.407 -0.356 758 1HB TYR 97 2HB TYR 97 8.052 4.292 1.097 759 2HB TYR 97 1HB TYR 97 8.130 2.807 0.160 760 HD1 TYR 97 1HD TYR 97 10.054 4.996 2.445 761 HD2 TYR 97 2HD TYR 97 9.757 1.162 0.629 762 HE1 TYR 97 1HE TYR 97 11.807 4.155 3.948 763 HE2 TYR 97 2HE TYR 97 11.510 0.309 2.124 764 HH TYR 97 HH TYR 97 13.433 2.372 4.068 765 H GLU 98 H GLU 98 9.223 3.255 -2.917 766 HA GLU 98 HA GLU 98 11.503 3.130 -4.102 767 1HB GLU 98 2HB GLU 98 13.000 1.415 -3.137 768 2HB GLU 98 1HB GLU 98 12.842 2.828 -2.108 769 1HG GLU 98 2HG GLU 98 10.972 1.388 -0.962 770 2HG GLU 98 1HG GLU 98 11.854 0.052 -1.699 771 H PHE 99 H PHE 99 8.866 1.355 -2.938 772 HA PHE 99 HA PHE 99 7.597 -0.257 -3.937 773 1HB PHE 99 2HB PHE 99 9.169 0.718 -6.074 774 2HB PHE 99 1HB PHE 99 9.237 -1.037 -6.171 775 HD1 PHE 99 1HD PHE 99 7.475 -2.233 -7.102 776 HD2 PHE 99 2HD PHE 99 6.870 1.810 -5.920 777 HE1 PHE 99 1HE PHE 99 5.265 -2.253 -8.183 778 HE2 PHE 99 2HE PHE 99 4.660 1.799 -7.000 779 HZ PHE 99 HZ PHE 99 3.854 -0.235 -8.133 780 H LEU 100 H LEU 100 7.454 -2.333 -3.363 781 HA LEU 100 HA LEU 100 9.881 -3.680 -2.491 782 1HB LEU 100 2HB LEU 100 7.174 -3.594 -1.632 783 2HB LEU 100 1HB LEU 100 7.531 -5.249 -2.073 784 HG LEU 100 HG LEU 100 8.000 -5.175 0.192 785 1HD1 LEU 100 1HD1 LEU 100 9.871 -6.092 -1.184 786 2HD1 LEU 100 2HD1 LEU 100 10.339 -5.531 0.419 787 3HD1 LEU 100 3HD1 LEU 100 10.690 -4.541 -0.997 788 1HD2 LEU 100 1HD2 LEU 100 9.204 -2.474 -0.326 789 2HD2 LEU 100 2HD2 LEU 100 9.439 -3.350 1.187 790 3HD2 LEU 100 3HD2 LEU 100 7.816 -2.881 0.683 791 H GLU 101 H GLU 101 10.314 -5.898 -3.054 792 HA GLU 101 HA GLU 101 9.629 -6.464 -5.831 793 1HB GLU 101 2HB GLU 101 11.526 -8.035 -4.092 794 2HB GLU 101 1HB GLU 101 11.470 -7.966 -5.848 795 1HG GLU 101 2HG GLU 101 12.248 -5.679 -5.817 796 2HG GLU 101 1HG GLU 101 12.215 -5.667 -4.055 797 H LYS 102 H LYS 102 9.420 -8.939 -6.301 798 HA LYS 102 HA LYS 102 8.179 -10.837 -6.140 799 1HB LYS 102 2HB LYS 102 9.259 -10.463 -3.591 800 2HB LYS 102 1HB LYS 102 7.554 -10.778 -3.305 801 1HG LYS 102 2HG LYS 102 7.663 -12.907 -4.167 802 2HG LYS 102 1HG LYS 102 9.081 -12.549 -5.155 803 1HD LYS 102 2HD LYS 102 10.478 -12.477 -3.173 804 2HD LYS 102 1HD LYS 102 9.069 -12.730 -2.142 805 1HE LYS 102 2HE LYS 102 9.512 -14.729 -4.268 806 2HE LYS 102 1HE LYS 102 10.693 -14.711 -2.960 807 1HZ LYS 102 1HZ LYS 102 8.621 -16.174 -2.722 808 2HZ LYS 102 2HZ LYS 102 7.802 -14.736 -2.376 809 3HZ LYS 102 3HZ LYS 102 9.088 -15.232 -1.396 810 HA PRO 103 HA PRO 103 4.341 -8.285 -6.109 811 1HB PRO 103 2HB PRO 103 3.362 -9.331 -8.419 812 2HB PRO 103 1HB PRO 103 4.497 -7.977 -8.377 813 1HG PRO 103 2HG PRO 103 5.038 -10.886 -8.845 814 2HG PRO 103 1HG PRO 103 5.684 -9.477 -9.707 815 1HD PRO 103 2HD PRO 103 7.108 -10.770 -7.818 816 2HD PRO 103 1HD PRO 103 7.229 -9.015 -8.050 817 H PHE 104 H PHE 104 5.049 -11.565 -5.833 818 HA PHE 104 HA PHE 104 2.243 -12.347 -5.571 819 1HB PHE 104 2HB PHE 104 4.812 -13.905 -5.764 820 2HB PHE 104 1HB PHE 104 3.314 -14.666 -5.238 821 HD1 PHE 104 1HD PHE 104 5.339 -13.969 -7.994 822 HD2 PHE 104 2HD PHE 104 1.254 -14.222 -6.834 823 HE1 PHE 104 1HE PHE 104 4.699 -14.314 -10.345 824 HE2 PHE 104 2HE PHE 104 0.605 -14.570 -9.182 825 HZ PHE 104 HZ PHE 104 2.328 -14.616 -10.940 826 H SER 105 H SER 105 5.283 -12.669 -3.728 827 HA SER 105 HA SER 105 3.689 -12.963 -1.280 828 1HB SER 105 2HB SER 105 5.606 -13.970 -0.266 829 2HB SER 105 1HB SER 105 5.444 -14.689 -1.867 830 HG SER 105 HG SER 105 7.232 -12.631 -1.084 831 H VAL 106 H VAL 106 4.573 -11.923 0.696 832 HA VAL 106 HA VAL 106 5.869 -9.341 0.118 833 HB VAL 106 HB VAL 106 4.402 -8.291 1.830 834 1HG1 VAL 106 1HG1 VAL 106 3.246 -9.450 -0.680 835 2HG1 VAL 106 2HG1 VAL 106 3.784 -7.801 -0.361 836 3HG1 VAL 106 3HG1 VAL 106 2.291 -8.397 0.364 837 1HG2 VAL 106 1HG2 VAL 106 2.168 -9.904 1.872 838 2HG2 VAL 106 2HG2 VAL 106 3.309 -9.669 3.196 839 3HG2 VAL 106 3HG2 VAL 106 3.500 -11.036 2.098 840 H GLU 107 H GLU 107 6.263 -12.170 1.658 841 HA GLU 107 HA GLU 107 6.782 -11.923 4.268 842 1HB GLU 107 2HB GLU 107 7.338 -13.858 2.699 843 2HB GLU 107 1HB GLU 107 8.892 -13.071 2.462 844 1HG GLU 107 2HG GLU 107 8.816 -13.100 5.135 845 2HG GLU 107 1HG GLU 107 7.833 -14.523 4.794 846 H ARG 108 H ARG 108 8.923 -10.667 1.724 847 HA ARG 108 HA ARG 108 10.829 -9.595 3.574 848 1HB ARG 108 2HB ARG 108 11.062 -10.224 1.016 849 2HB ARG 108 1HB ARG 108 10.570 -8.552 0.785 850 1HG ARG 108 2HG ARG 108 12.748 -8.097 0.931 851 2HG ARG 108 1HG ARG 108 12.520 -8.295 2.669 852 1HD ARG 108 2HD ARG 108 14.010 -9.942 2.617 853 2HD ARG 108 1HD ARG 108 12.873 -10.881 1.651 854 HE ARG 108 HE ARG 108 14.169 -9.241 -0.132 855 1HH1 ARG 108 1HH1 ARG 108 15.112 -11.696 2.161 856 2HH1 ARG 108 2HH1 ARG 108 16.499 -12.192 1.251 857 1HH2 ARG 108 1HH2 ARG 108 15.991 -9.893 -1.333 858 2HH2 ARG 108 2HH2 ARG 108 16.998 -11.169 -0.733 859 H PHE 109 H PHE 109 8.037 -8.398 1.838 860 HA PHE 109 HA PHE 109 8.291 -5.660 2.223 861 1HB PHE 109 2HB PHE 109 6.530 -6.152 0.830 862 2HB PHE 109 1HB PHE 109 6.043 -7.548 1.766 863 HD1 PHE 109 1HD PHE 109 5.721 -3.934 1.378 864 HD2 PHE 109 2HD PHE 109 4.502 -7.343 3.613 865 HE1 PHE 109 1HE PHE 109 3.882 -2.626 2.359 866 HE2 PHE 109 2HE PHE 109 2.660 -6.043 4.599 867 HZ PHE 109 HZ PHE 109 2.347 -3.681 3.971 868 H LEU 110 H LEU 110 7.563 -8.163 4.493 869 HA LEU 110 HA LEU 110 6.243 -6.648 6.466 870 1HB LEU 110 2HB LEU 110 6.891 -9.275 6.119 871 2HB LEU 110 1HB LEU 110 7.934 -8.811 7.448 872 HG LEU 110 HG LEU 110 4.987 -8.234 7.502 873 1HD1 LEU 110 1HD1 LEU 110 4.714 -10.306 8.795 874 2HD1 LEU 110 2HD1 LEU 110 6.381 -10.743 8.420 875 3HD1 LEU 110 3HD1 LEU 110 5.191 -10.612 7.125 876 1HD2 LEU 110 1HD2 LEU 110 7.058 -7.466 9.138 877 2HD2 LEU 110 2HD2 LEU 110 6.405 -8.880 9.967 878 3HD2 LEU 110 3HD2 LEU 110 5.353 -7.516 9.587 879 H LEU 111 H LEU 111 9.658 -7.444 5.991 880 HA LEU 111 HA LEU 111 10.699 -6.366 8.324 881 1HB LEU 111 2HB LEU 111 11.856 -6.582 5.560 882 2HB LEU 111 1HB LEU 111 12.783 -5.981 6.923 883 HG LEU 111 HG LEU 111 12.166 -8.216 8.063 884 1HD1 LEU 111 1HD1 LEU 111 11.219 -8.634 5.288 885 2HD1 LEU 111 2HD1 LEU 111 10.628 -9.311 6.806 886 3HD1 LEU 111 3HD1 LEU 111 12.087 -9.963 6.058 887 1HD2 LEU 111 1HD2 LEU 111 14.411 -7.516 7.214 888 2HD2 LEU 111 2HD2 LEU 111 14.020 -8.316 5.691 889 3HD2 LEU 111 3HD2 LEU 111 14.124 -9.256 7.179 890 H THR 112 H THR 112 10.431 -4.756 5.157 891 HA THR 112 HA THR 112 11.289 -2.234 6.021 892 HB THR 112 HB THR 112 9.447 -2.966 3.737 893 HG1 THR 112 1HG THR 112 11.655 -3.830 3.796 894 1HG2 THR 112 1HG2 THR 112 10.016 -0.889 2.705 895 2HG2 THR 112 2HG2 THR 112 11.077 -0.459 4.047 896 3HG2 THR 112 3HG2 THR 112 9.334 -0.559 4.297 897 H ILE 113 H ILE 113 8.072 -3.679 5.910 898 HA ILE 113 HA ILE 113 6.430 -1.548 6.331 899 HB ILE 113 HB ILE 113 6.321 -4.392 7.161 900 1HG1 ILE 113 2HG1 ILE 113 5.543 -3.636 4.961 901 2HG1 ILE 113 1HG1 ILE 113 4.221 -4.315 5.904 902 1HG2 ILE 113 1HG2 ILE 113 5.520 -3.529 9.203 903 2HG2 ILE 113 2HG2 ILE 113 4.085 -3.961 8.272 904 3HG2 ILE 113 3HG2 ILE 113 4.582 -2.274 8.395 905 1HD1 ILE 113 1HD1 ILE 113 4.427 -1.477 6.327 906 2HD1 ILE 113 2HD1 ILE 113 3.064 -2.438 5.749 907 3HD1 ILE 113 3HD1 ILE 113 4.281 -1.860 4.611 908 H LYS 114 H LYS 114 8.052 -3.372 8.943 909 HA LYS 114 HA LYS 114 7.145 -1.944 11.107 910 1HB LYS 114 2HB LYS 114 8.787 -3.979 10.927 911 2HB LYS 114 1HB LYS 114 10.024 -2.732 10.994 912 1HG LYS 114 2HG LYS 114 7.850 -2.899 13.050 913 2HG LYS 114 1HG LYS 114 9.332 -3.847 13.181 914 1HD LYS 114 2HD LYS 114 9.262 -0.848 12.875 915 2HD LYS 114 1HD LYS 114 9.381 -1.682 14.425 916 1HE LYS 114 2HE LYS 114 11.350 -1.800 12.146 917 2HE LYS 114 1HE LYS 114 11.582 -1.014 13.707 918 1HZ LYS 114 1HZ LYS 114 12.693 -3.100 13.752 919 2HZ LYS 114 2HZ LYS 114 11.327 -3.925 13.189 920 3HZ LYS 114 3HZ LYS 114 11.327 -3.243 14.738 921 H HIS 115 H HIS 115 10.227 -1.375 9.441 922 HA HIS 115 HA HIS 115 10.826 1.060 10.640 923 1HB HIS 115 2HB HIS 115 12.321 -0.401 9.185 924 2HB HIS 115 1HB HIS 115 11.561 0.380 7.801 925 HD1 HIS 115 1HD HIS 115 14.388 0.692 9.970 926 HD2 HIS 115 2HD HIS 115 11.885 3.360 7.999 927 HE1 HIS 115 1HE HIS 115 15.648 2.866 9.896 928 HE2 HIS 115 2HE HIS 115 14.077 4.490 8.783 929 H ALA 116 H ALA 116 8.613 0.315 8.056 930 HA ALA 116 HA ALA 116 8.394 2.890 6.922 931 1HB ALA 116 1HB ALA 116 6.135 0.916 7.045 932 2HB ALA 116 2HB ALA 116 7.537 0.662 6.006 933 3HB ALA 116 3HB ALA 116 6.516 2.082 5.778 934 H PHE 117 H PHE 117 6.662 1.293 9.561 935 HA PHE 117 HA PHE 117 4.816 3.399 10.010 936 1HB PHE 117 2HB PHE 117 5.666 0.951 11.495 937 2HB PHE 117 1HB PHE 117 4.737 2.178 12.352 938 HD1 PHE 117 1HD PHE 117 2.431 2.231 12.177 939 HD2 PHE 117 2HD PHE 117 4.687 0.057 9.299 940 HE1 PHE 117 1HE PHE 117 0.349 1.330 11.236 941 HE2 PHE 117 2HE PHE 117 2.610 -0.847 8.351 942 HZ PHE 117 HZ PHE 117 0.434 -0.210 9.320 943 H GLU 118 H GLU 118 8.109 2.910 10.914 944 HA GLU 118 HA GLU 118 8.311 4.357 13.270 945 1HB GLU 118 2HB GLU 118 10.287 4.214 10.989 946 2HB GLU 118 1HB GLU 118 10.657 4.787 12.610 947 1HG GLU 118 2HG GLU 118 9.609 2.028 12.055 948 2HG GLU 118 1HG GLU 118 11.327 2.419 12.079 949 H GLU 119 H GLU 119 7.694 5.482 10.058 950 HA GLU 119 HA GLU 119 8.541 8.169 10.434 951 1HB GLU 119 2HB GLU 119 6.537 7.052 8.471 952 2HB GLU 119 1HB GLU 119 7.282 8.642 8.382 953 1HG GLU 119 2HG GLU 119 9.162 6.395 8.539 954 2HG GLU 119 1HG GLU 119 8.176 6.451 7.080 955 H TYR 120 H TYR 120 5.949 6.460 11.696 956 HA TYR 120 HA TYR 120 4.697 8.945 12.580 957 1HB TYR 120 2HB TYR 120 3.503 7.909 10.522 958 2HB TYR 120 1HB TYR 120 2.943 6.685 11.656 959 HD1 TYR 120 1HD TYR 120 0.861 7.022 12.579 960 HD2 TYR 120 2HD TYR 120 3.176 10.415 11.474 961 HE1 TYR 120 1HE TYR 120 -0.984 8.496 13.264 962 HE2 TYR 120 2HE TYR 120 1.338 11.900 12.155 963 HH TYR 120 HH TYR 120 -1.711 10.996 12.539 964 H SER 121 H SER 121 6.398 6.921 13.828 965 HA SER 121 HA SER 121 6.576 5.792 15.793 966 1HB SER 121 2HB SER 121 4.315 7.657 16.231 967 2HB SER 121 1HB SER 121 4.458 6.328 17.380 968 HG SER 121 HG SER 121 6.647 7.981 16.690 Start of MODEL 32 1 1H MET 1 1HT MET 1 -3.588 -0.716 16.047 2 2H MET 1 2HT MET 1 -3.615 -0.562 17.756 3 3H MET 1 3HT MET 1 -2.339 -1.415 16.989 4 HA MET 1 HA MET 1 -2.884 1.459 17.043 5 1HB MET 1 2HB MET 1 -0.656 -0.405 17.814 6 2HB MET 1 1HB MET 1 -0.343 1.306 17.548 7 1HG MET 1 2HG MET 1 -1.517 1.953 19.401 8 2HG MET 1 1HG MET 1 -2.549 0.524 19.382 9 1HE MET 1 1HE MET 1 1.320 1.306 21.476 10 2HE MET 1 2HE MET 1 0.615 2.186 20.119 11 3HE MET 1 3HE MET 1 1.688 0.819 19.820 12 H LYS 2 H LYS 2 -1.561 -1.159 15.147 13 HA LYS 2 HA LYS 2 -0.609 0.784 13.150 14 1HB LYS 2 2HB LYS 2 0.140 -2.134 13.265 15 2HB LYS 2 1HB LYS 2 0.930 -0.848 12.361 16 1HG LYS 2 2HG LYS 2 0.867 -0.351 15.230 17 2HG LYS 2 1HG LYS 2 1.723 -1.831 14.795 18 1HD LYS 2 2HD LYS 2 2.681 -0.091 12.936 19 2HD LYS 2 1HD LYS 2 2.436 0.979 14.318 20 1HE LYS 2 2HE LYS 2 3.694 -0.741 15.691 21 2HE LYS 2 1HE LYS 2 4.136 -1.498 14.162 22 1HZ LYS 2 1HZ LYS 2 5.653 0.306 15.288 23 2HZ LYS 2 2HZ LYS 2 4.629 1.371 14.464 24 3HZ LYS 2 3HZ LYS 2 5.510 0.209 13.606 25 H ARG 3 H ARG 3 -1.409 0.754 11.114 26 HA ARG 3 HA ARG 3 -3.130 -1.448 10.268 27 1HB ARG 3 2HB ARG 3 -4.131 1.357 9.916 28 2HB ARG 3 1HB ARG 3 -5.029 -0.154 9.850 29 1HG ARG 3 2HG ARG 3 -5.711 0.789 11.850 30 2HG ARG 3 1HG ARG 3 -4.465 -0.356 12.351 31 1HD ARG 3 2HD ARG 3 -3.247 1.277 13.240 32 2HD ARG 3 1HD ARG 3 -3.283 2.190 11.733 33 HE ARG 3 HE ARG 3 -4.932 2.602 14.061 34 1HH1 ARG 3 1HH1 ARG 3 -4.616 3.142 10.626 35 2HH1 ARG 3 2HH1 ARG 3 -5.675 4.511 10.619 36 1HH2 ARG 3 1HH2 ARG 3 -6.324 4.402 14.050 37 2HH2 ARG 3 2HH2 ARG 3 -6.645 5.227 12.561 38 H VAL 4 H VAL 4 -2.701 -1.981 8.210 39 HA VAL 4 HA VAL 4 -1.453 0.071 6.495 40 HB VAL 4 HB VAL 4 -1.015 -2.912 6.284 41 1HG1 VAL 4 1HG1 VAL 4 1.016 -1.960 4.955 42 2HG1 VAL 4 2HG1 VAL 4 0.003 -0.525 4.809 43 3HG1 VAL 4 3HG1 VAL 4 -0.566 -2.071 4.183 44 1HG2 VAL 4 1HG2 VAL 4 0.855 -0.833 7.420 45 2HG2 VAL 4 2HG2 VAL 4 1.168 -2.561 7.263 46 3HG2 VAL 4 3HG2 VAL 4 -0.072 -1.987 8.378 47 H LEU 5 H LEU 5 -2.149 0.235 4.367 48 HA LEU 5 HA LEU 5 -4.718 -1.061 3.830 49 1HB LEU 5 2HB LEU 5 -4.682 1.383 3.768 50 2HB LEU 5 1HB LEU 5 -3.434 1.344 2.538 51 HG LEU 5 HG LEU 5 -5.026 0.220 1.003 52 1HD1 LEU 5 1HD1 LEU 5 -7.213 -0.226 1.531 53 2HD1 LEU 5 2HD1 LEU 5 -7.255 0.955 2.839 54 3HD1 LEU 5 3HD1 LEU 5 -6.421 -0.582 3.065 55 1HD2 LEU 5 1HD2 LEU 5 -6.090 2.816 2.103 56 2HD2 LEU 5 2HD2 LEU 5 -6.288 2.189 0.467 57 3HD2 LEU 5 3HD2 LEU 5 -4.693 2.684 1.035 58 H VAL 6 H VAL 6 -4.931 -2.570 2.324 59 HA VAL 6 HA VAL 6 -2.697 -2.963 0.439 60 HB VAL 6 HB VAL 6 -4.678 -5.050 1.355 61 1HG1 VAL 6 1HG1 VAL 6 -2.487 -4.985 -0.610 62 2HG1 VAL 6 2HG1 VAL 6 -3.919 -6.012 -0.536 63 3HG1 VAL 6 3HG1 VAL 6 -2.511 -6.391 0.454 64 1HG2 VAL 6 1HG2 VAL 6 -3.163 -5.815 2.932 65 2HG2 VAL 6 2HG2 VAL 6 -3.016 -4.065 3.085 66 3HG2 VAL 6 3HG2 VAL 6 -1.804 -4.977 2.185 67 H VAL 7 H VAL 7 -3.405 -1.748 -1.273 68 HA VAL 7 HA VAL 7 -6.094 -2.075 -2.308 69 HB VAL 7 HB VAL 7 -3.748 -0.446 -3.307 70 1HG1 VAL 7 1HG1 VAL 7 -5.229 -1.077 -5.159 71 2HG1 VAL 7 2HG1 VAL 7 -5.294 0.653 -4.822 72 3HG1 VAL 7 3HG1 VAL 7 -6.601 -0.400 -4.281 73 1HG2 VAL 7 1HG2 VAL 7 -6.296 0.489 -2.005 74 2HG2 VAL 7 2HG2 VAL 7 -4.877 1.455 -2.409 75 3HG2 VAL 7 3HG2 VAL 7 -4.779 0.236 -1.139 76 H ASP 8 H ASP 8 -6.606 -3.717 -3.614 77 HA ASP 8 HA ASP 8 -4.909 -4.428 -5.830 78 1HB ASP 8 2HB ASP 8 -3.891 -5.745 -4.010 79 2HB ASP 8 1HB ASP 8 -5.454 -6.484 -3.677 80 H ASP 9 H ASP 9 -5.972 -5.686 -7.402 81 HA ASP 9 HA ASP 9 -8.794 -5.354 -7.458 82 1HB ASP 9 2HB ASP 9 -7.478 -5.241 -9.503 83 2HB ASP 9 1HB ASP 9 -6.968 -6.914 -9.297 84 H GLU 10 H GLU 10 -7.061 -8.418 -8.002 85 HA GLU 10 HA GLU 10 -9.307 -9.925 -7.042 86 1HB GLU 10 2HB GLU 10 -7.631 -10.591 -8.881 87 2HB GLU 10 1HB GLU 10 -6.563 -11.047 -7.559 88 1HG GLU 10 2HG GLU 10 -7.889 -12.808 -6.913 89 2HG GLU 10 1HG GLU 10 -9.344 -12.112 -7.624 90 H GLU 11 H GLU 11 -8.941 -11.720 -5.415 91 HA GLU 11 HA GLU 11 -7.676 -10.550 -3.047 92 1HB GLU 11 2HB GLU 11 -9.037 -12.157 -1.772 93 2HB GLU 11 1HB GLU 11 -10.025 -11.143 -2.815 94 1HG GLU 11 2HG GLU 11 -9.283 -13.506 -4.234 95 2HG GLU 11 1HG GLU 11 -9.956 -13.951 -2.667 96 H SER 12 H SER 12 -5.863 -11.569 -4.831 97 HA SER 12 HA SER 12 -5.187 -14.283 -4.112 98 1HB SER 12 2HB SER 12 -3.099 -13.743 -5.500 99 2HB SER 12 1HB SER 12 -4.647 -13.714 -6.346 100 HG SER 12 HG SER 12 -4.459 -11.627 -6.632 101 H ILE 13 H ILE 13 -3.910 -11.040 -3.486 102 HA ILE 13 HA ILE 13 -1.886 -12.109 -1.687 103 HB ILE 13 HB ILE 13 -2.505 -9.232 -2.371 104 1HG1 ILE 13 2HG1 ILE 13 -1.812 -10.518 -4.347 105 2HG1 ILE 13 1HG1 ILE 13 -0.571 -9.364 -3.872 106 1HG2 ILE 13 1HG2 ILE 13 -0.382 -10.558 -0.745 107 2HG2 ILE 13 2HG2 ILE 13 -1.319 -9.105 -0.399 108 3HG2 ILE 13 3HG2 ILE 13 -0.026 -9.056 -1.598 109 1HD1 ILE 13 1HD1 ILE 13 -0.573 -12.334 -3.419 110 2HD1 ILE 13 2HD1 ILE 13 0.607 -11.229 -2.713 111 3HD1 ILE 13 3HD1 ILE 13 0.498 -11.401 -4.464 112 H THR 14 H THR 14 -4.802 -10.118 -1.568 113 HA THR 14 HA THR 14 -4.745 -9.392 1.117 114 HB THR 14 HB THR 14 -7.060 -8.887 0.907 115 HG1 THR 14 1HG THR 14 -7.046 -10.807 -1.164 116 1HG2 THR 14 1HG2 THR 14 -5.488 -7.644 -0.651 117 2HG2 THR 14 2HG2 THR 14 -7.209 -7.599 -1.036 118 3HG2 THR 14 3HG2 THR 14 -6.132 -8.671 -1.932 119 H SER 15 H SER 15 -5.332 -12.473 -0.304 120 HA SER 15 HA SER 15 -6.816 -13.571 1.890 121 1HB SER 15 2HB SER 15 -6.580 -14.351 -0.651 122 2HB SER 15 1HB SER 15 -5.300 -15.349 0.041 123 HG SER 15 HG SER 15 -8.063 -15.371 0.575 124 H SER 16 H SER 16 -3.446 -13.277 1.033 125 HA SER 16 HA SER 16 -2.712 -14.879 3.391 126 1HB SER 16 2HB SER 16 -0.699 -14.045 1.340 127 2HB SER 16 1HB SER 16 -0.740 -15.493 2.346 128 HG SER 16 HG SER 16 -2.502 -16.219 1.047 129 H LEU 17 H LEU 17 -1.443 -12.072 1.587 130 HA LEU 17 HA LEU 17 0.210 -10.966 3.440 131 1HB LEU 17 2HB LEU 17 -0.088 -10.071 1.194 132 2HB LEU 17 1HB LEU 17 -1.699 -9.518 1.601 133 HG LEU 17 HG LEU 17 0.307 -7.844 1.530 134 1HD1 LEU 17 1HD1 LEU 17 -0.826 -6.428 3.137 135 2HD1 LEU 17 2HD1 LEU 17 -1.685 -7.824 3.787 136 3HD1 LEU 17 3HD1 LEU 17 -1.993 -7.291 2.137 137 1HD2 LEU 17 1HD2 LEU 17 1.415 -7.503 3.639 138 2HD2 LEU 17 2HD2 LEU 17 1.712 -9.151 3.087 139 3HD2 LEU 17 3HD2 LEU 17 0.534 -8.848 4.362 140 H SER 18 H SER 18 -3.294 -10.332 3.215 141 HA SER 18 HA SER 18 -3.524 -8.585 5.361 142 1HB SER 18 2HB SER 18 -5.566 -10.680 4.588 143 2HB SER 18 1HB SER 18 -5.872 -9.151 5.411 144 HG SER 18 HG SER 18 -5.752 -8.123 3.563 145 H ALA 19 H ALA 19 -3.461 -12.109 5.308 146 HA ALA 19 HA ALA 19 -4.070 -12.491 8.050 147 1HB ALA 19 1HB ALA 19 -4.114 -14.183 6.088 148 2HB ALA 19 2HB ALA 19 -3.645 -14.743 7.694 149 3HB ALA 19 3HB ALA 19 -2.410 -14.421 6.477 150 H ILE 20 H ILE 20 -1.044 -12.177 6.251 151 HA ILE 20 HA ILE 20 0.753 -12.798 8.287 152 HB ILE 20 HB ILE 20 0.955 -11.049 5.858 153 1HG1 ILE 20 2HG1 ILE 20 2.931 -13.082 6.047 154 2HG1 ILE 20 1HG1 ILE 20 1.372 -13.786 6.462 155 1HG2 ILE 20 1HG2 ILE 20 3.512 -11.121 6.483 156 2HG2 ILE 20 2HG2 ILE 20 2.872 -11.190 8.125 157 3HG2 ILE 20 3HG2 ILE 20 2.462 -9.833 7.076 158 1HD1 ILE 20 1HD1 ILE 20 1.921 -12.206 3.965 159 2HD1 ILE 20 2HD1 ILE 20 0.441 -13.072 4.371 160 3HD1 ILE 20 3HD1 ILE 20 1.930 -13.966 4.071 161 H LEU 21 H LEU 21 -0.127 -9.499 7.227 162 HA LEU 21 HA LEU 21 1.021 -8.096 9.302 163 1HB LEU 21 2HB LEU 21 -1.541 -7.516 7.827 164 2HB LEU 21 1HB LEU 21 -0.689 -6.359 8.832 165 HG LEU 21 HG LEU 21 1.066 -7.533 6.847 166 1HD1 LEU 21 1HD1 LEU 21 -1.107 -7.681 5.639 167 2HD1 LEU 21 2HD1 LEU 21 0.091 -6.636 4.874 168 3HD1 LEU 21 3HD1 LEU 21 -1.244 -5.929 5.784 169 1HD2 LEU 21 1HD2 LEU 21 1.212 -5.386 8.300 170 2HD2 LEU 21 2HD2 LEU 21 0.262 -4.663 7.003 171 3HD2 LEU 21 3HD2 LEU 21 1.839 -5.372 6.652 172 H GLU 22 H GLU 22 -2.042 -9.801 9.198 173 HA GLU 22 HA GLU 22 -3.073 -8.832 11.650 174 1HB GLU 22 2HB GLU 22 -4.205 -10.138 9.670 175 2HB GLU 22 1HB GLU 22 -3.774 -11.542 10.635 176 1HG GLU 22 2HG GLU 22 -4.942 -9.746 12.420 177 2HG GLU 22 1HG GLU 22 -5.937 -9.684 10.966 178 H GLU 23 H GLU 23 -0.724 -11.248 10.852 179 HA GLU 23 HA GLU 23 -0.906 -12.617 13.380 180 1HB GLU 23 2HB GLU 23 -0.239 -13.973 11.560 181 2HB GLU 23 1HB GLU 23 0.948 -12.798 11.013 182 1HG GLU 23 2HG GLU 23 2.537 -13.623 12.329 183 2HG GLU 23 1HG GLU 23 1.451 -13.756 13.711 184 H GLU 24 H GLU 24 1.137 -10.174 11.870 185 HA GLU 24 HA GLU 24 3.076 -10.090 13.936 186 1HB GLU 24 2HB GLU 24 2.888 -9.019 11.433 187 2HB GLU 24 1HB GLU 24 2.674 -7.603 12.451 188 1HG GLU 24 2HG GLU 24 4.937 -9.504 12.907 189 2HG GLU 24 1HG GLU 24 5.041 -8.232 11.693 190 H GLY 25 H GLY 25 0.267 -8.056 13.195 191 1HA GLY 25 2HA GLY 25 -0.997 -7.560 15.371 192 2HA GLY 25 1HA GLY 25 0.525 -6.821 15.840 193 H TYR 26 H TYR 26 -1.170 -6.767 12.732 194 HA TYR 26 HA TYR 26 -1.223 -3.827 12.914 195 1HB TYR 26 2HB TYR 26 -1.047 -5.616 10.485 196 2HB TYR 26 1HB TYR 26 -1.217 -3.868 10.419 197 HD1 TYR 26 1HD TYR 26 0.633 -2.418 11.189 198 HD2 TYR 26 2HD TYR 26 1.059 -6.641 10.946 199 HE1 TYR 26 1HE TYR 26 3.075 -2.171 11.289 200 HE2 TYR 26 2HE TYR 26 3.503 -6.409 11.045 201 HH TYR 26 HH TYR 26 5.035 -3.458 11.868 202 H HIS 27 H HIS 27 -2.887 -3.200 10.891 203 HA HIS 27 HA HIS 27 -5.397 -4.634 11.327 204 1HB HIS 27 2HB HIS 27 -4.927 -2.388 12.755 205 2HB HIS 27 1HB HIS 27 -5.598 -1.675 11.293 206 HD1 HIS 27 1HD HIS 27 -7.718 -0.933 12.602 207 HD2 HIS 27 2HD HIS 27 -7.115 -5.044 12.493 208 HE1 HIS 27 1HE HIS 27 -9.884 -1.951 13.374 209 HE2 HIS 27 2HE HIS 27 -9.526 -4.440 13.211 210 HA PRO 28 HA PRO 28 -4.404 -3.651 6.857 211 1HB PRO 28 2HB PRO 28 -5.753 -6.279 6.609 212 2HB PRO 28 1HB PRO 28 -4.275 -5.694 5.839 213 1HG PRO 28 2HG PRO 28 -4.165 -7.462 7.830 214 2HG PRO 28 1HG PRO 28 -2.964 -6.164 7.691 215 1HD PRO 28 2HD PRO 28 -5.317 -6.381 9.525 216 2HD PRO 28 1HD PRO 28 -3.691 -5.746 9.848 217 H ASP 29 H ASP 29 -5.799 -2.633 5.546 218 HA ASP 29 HA ASP 29 -8.646 -2.967 6.114 219 1HB ASP 29 2HB ASP 29 -7.527 -0.704 6.593 220 2HB ASP 29 1HB ASP 29 -7.560 -0.496 4.844 221 H THR 30 H THR 30 -6.356 -3.408 3.826 222 HA THR 30 HA THR 30 -6.329 -3.828 1.590 223 HB THR 30 HB THR 30 -7.968 -5.487 0.883 224 HG1 THR 30 1HG THR 30 -9.849 -4.719 1.762 225 1HG2 THR 30 1HG2 THR 30 -6.492 -6.721 2.055 226 2HG2 THR 30 2HG2 THR 30 -7.879 -6.928 3.124 227 3HG2 THR 30 3HG2 THR 30 -6.642 -5.730 3.506 228 H ALA 31 H ALA 31 -7.777 -3.925 -0.472 229 HA ALA 31 HA ALA 31 -9.895 -2.001 -0.628 230 1HB ALA 31 1HB ALA 31 -8.804 -0.190 -1.332 231 2HB ALA 31 2HB ALA 31 -7.845 -1.126 -2.479 232 3HB ALA 31 3HB ALA 31 -7.320 -0.983 -0.801 233 H LYS 32 H LYS 32 -9.778 -1.454 -3.352 234 HA LYS 32 HA LYS 32 -9.783 -4.143 -4.554 235 1HB LYS 32 2HB LYS 32 -11.721 -2.003 -5.392 236 2HB LYS 32 1HB LYS 32 -11.811 -3.736 -5.670 237 1HG LYS 32 2HG LYS 32 -12.279 -4.118 -3.323 238 2HG LYS 32 1HG LYS 32 -12.114 -2.392 -2.994 239 1HD LYS 32 2HD LYS 32 -13.959 -2.189 -4.854 240 2HD LYS 32 1HD LYS 32 -14.294 -3.861 -4.402 241 1HE LYS 32 2HE LYS 32 -13.978 -2.185 -2.069 242 2HE LYS 32 1HE LYS 32 -15.227 -1.557 -3.142 243 1HZ LYS 32 1HZ LYS 32 -15.846 -4.141 -3.125 244 2HZ LYS 32 2HZ LYS 32 -16.492 -3.026 -2.031 245 3HZ LYS 32 3HZ LYS 32 -15.187 -3.999 -1.573 246 H THR 33 H THR 33 -9.316 -0.699 -5.017 247 HA THR 33 HA THR 33 -7.338 -1.129 -7.017 248 HB THR 33 HB THR 33 -8.863 0.516 -8.564 249 HG1 THR 33 1HG THR 33 -10.920 0.097 -8.359 250 1HG2 THR 33 1HG2 THR 33 -8.133 -2.286 -8.641 251 2HG2 THR 33 2HG2 THR 33 -8.186 -1.088 -9.936 252 3HG2 THR 33 3HG2 THR 33 -9.651 -1.956 -9.475 253 H LEU 34 H LEU 34 -6.800 1.158 -8.050 254 HA LEU 34 HA LEU 34 -6.043 2.816 -5.919 255 1HB LEU 34 2HB LEU 34 -6.077 3.145 -8.895 256 2HB LEU 34 1HB LEU 34 -5.664 4.506 -7.868 257 HG LEU 34 HG LEU 34 -4.228 1.852 -7.859 258 1HD1 LEU 34 1HD1 LEU 34 -2.929 2.564 -9.511 259 2HD1 LEU 34 2HD1 LEU 34 -2.685 4.127 -8.732 260 3HD1 LEU 34 3HD1 LEU 34 -4.085 3.869 -9.771 261 1HD2 LEU 34 1HD2 LEU 34 -3.543 2.565 -5.857 262 2HD2 LEU 34 2HD2 LEU 34 -4.179 4.188 -6.117 263 3HD2 LEU 34 3HD2 LEU 34 -2.589 3.753 -6.744 264 H ARG 35 H ARG 35 -8.792 2.932 -8.110 265 HA ARG 35 HA ARG 35 -9.725 5.492 -7.314 266 1HB ARG 35 2HB ARG 35 -10.418 4.236 -9.395 267 2HB ARG 35 1HB ARG 35 -11.396 3.202 -8.363 268 1HG ARG 35 2HG ARG 35 -12.165 5.752 -7.638 269 2HG ARG 35 1HG ARG 35 -11.938 5.860 -9.384 270 1HD ARG 35 2HD ARG 35 -13.472 4.073 -9.769 271 2HD ARG 35 1HD ARG 35 -13.553 3.700 -8.047 272 HE ARG 35 HE ARG 35 -15.073 5.657 -9.440 273 1HH1 ARG 35 1HH1 ARG 35 -13.549 4.995 -6.370 274 2HH1 ARG 35 2HH1 ARG 35 -14.629 6.011 -5.474 275 1HH2 ARG 35 1HH2 ARG 35 -16.493 6.993 -8.262 276 2HH2 ARG 35 2HH2 ARG 35 -16.300 7.144 -6.547 277 H GLU 36 H GLU 36 -10.558 2.186 -6.342 278 HA GLU 36 HA GLU 36 -12.466 2.913 -4.386 279 1HB GLU 36 2HB GLU 36 -12.041 0.611 -5.487 280 2HB GLU 36 1HB GLU 36 -10.801 0.409 -4.256 281 1HG GLU 36 2HG GLU 36 -13.556 1.180 -3.432 282 2HG GLU 36 1HG GLU 36 -13.219 -0.492 -3.879 283 H ALA 37 H ALA 37 -8.982 2.598 -4.366 284 HA ALA 37 HA ALA 37 -8.656 2.595 -1.541 285 1HB ALA 37 1HB ALA 37 -6.562 3.666 -3.386 286 2HB ALA 37 2HB ALA 37 -6.974 1.952 -3.430 287 3HB ALA 37 3HB ALA 37 -6.382 2.679 -1.937 288 H GLU 38 H GLU 38 -7.862 5.161 -3.891 289 HA GLU 38 HA GLU 38 -7.404 7.252 -2.253 290 1HB GLU 38 2HB GLU 38 -7.711 7.016 -4.905 291 2HB GLU 38 1HB GLU 38 -9.192 7.880 -4.520 292 1HG GLU 38 2HG GLU 38 -7.193 9.224 -3.131 293 2HG GLU 38 1HG GLU 38 -6.487 8.847 -4.701 294 H LYS 39 H LYS 39 -10.576 6.027 -3.180 295 HA LYS 39 HA LYS 39 -12.090 8.031 -1.881 296 1HB LYS 39 2HB LYS 39 -13.086 6.554 -3.549 297 2HB LYS 39 1HB LYS 39 -12.794 5.158 -2.520 298 1HG LYS 39 2HG LYS 39 -14.465 7.421 -1.518 299 2HG LYS 39 1HG LYS 39 -15.156 6.227 -2.620 300 1HD LYS 39 2HD LYS 39 -14.042 4.541 -0.908 301 2HD LYS 39 1HD LYS 39 -14.220 5.914 0.187 302 1HE LYS 39 2HE LYS 39 -16.630 6.025 -0.497 303 2HE LYS 39 1HE LYS 39 -16.388 4.508 -1.363 304 1HZ LYS 39 1HZ LYS 39 -16.293 5.002 1.547 305 2HZ LYS 39 2HZ LYS 39 -15.549 3.642 0.871 306 3HZ LYS 39 3HZ LYS 39 -17.216 3.869 0.695 307 H LYS 40 H LYS 40 -11.060 4.790 -0.871 308 HA LYS 40 HA LYS 40 -12.157 4.959 1.737 309 1HB LYS 40 2HB LYS 40 -10.265 3.133 0.346 310 2HB LYS 40 1HB LYS 40 -10.363 3.065 2.099 311 1HG LYS 40 2HG LYS 40 -12.957 3.042 0.742 312 2HG LYS 40 1HG LYS 40 -11.930 1.649 0.393 313 1HD LYS 40 2HD LYS 40 -11.826 1.019 2.649 314 2HD LYS 40 1HD LYS 40 -12.387 2.597 3.205 315 1HE LYS 40 2HE LYS 40 -14.311 1.395 3.455 316 2HE LYS 40 1HE LYS 40 -14.519 1.946 1.794 317 1HZ LYS 40 1HZ LYS 40 -14.750 -0.590 2.523 318 2HZ LYS 40 2HZ LYS 40 -13.100 -0.568 2.144 319 3HZ LYS 40 3HZ LYS 40 -14.242 -0.122 0.979 320 H ILE 41 H ILE 41 -9.166 6.061 0.342 321 HA ILE 41 HA ILE 41 -7.942 6.439 2.963 322 HB ILE 41 HB ILE 41 -6.843 7.204 0.263 323 1HG1 ILE 41 2HG1 ILE 41 -5.840 4.819 1.727 324 2HG1 ILE 41 1HG1 ILE 41 -7.398 4.665 0.921 325 1HG2 ILE 41 1HG2 ILE 41 -5.845 7.345 3.029 326 2HG2 ILE 41 2HG2 ILE 41 -5.439 8.329 1.622 327 3HG2 ILE 41 3HG2 ILE 41 -4.702 6.740 1.830 328 1HD1 ILE 41 1HD1 ILE 41 -5.664 3.894 -0.538 329 2HD1 ILE 41 2HD1 ILE 41 -4.773 5.404 -0.346 330 3HD1 ILE 41 3HD1 ILE 41 -6.326 5.397 -1.182 331 H LYS 42 H LYS 42 -9.738 8.215 0.627 332 HA LYS 42 HA LYS 42 -8.894 10.797 0.861 333 1HB LYS 42 2HB LYS 42 -10.870 9.793 -0.456 334 2HB LYS 42 1HB LYS 42 -11.817 10.151 0.981 335 1HG LYS 42 2HG LYS 42 -10.638 12.526 0.635 336 2HG LYS 42 1HG LYS 42 -10.670 11.966 -1.038 337 1HD LYS 42 2HD LYS 42 -13.181 11.503 0.370 338 2HD LYS 42 1HD LYS 42 -12.738 13.209 0.293 339 1HE LYS 42 2HE LYS 42 -12.481 13.036 -2.131 340 2HE LYS 42 1HE LYS 42 -12.909 11.326 -2.058 341 1HZ LYS 42 1HZ LYS 42 -15.026 12.282 -0.886 342 2HZ LYS 42 2HZ LYS 42 -14.914 12.249 -2.574 343 3HZ LYS 42 3HZ LYS 42 -14.616 13.687 -1.735 344 H GLU 43 H GLU 43 -10.466 8.879 3.297 345 HA GLU 43 HA GLU 43 -10.485 11.220 5.075 346 1HB GLU 43 2HB GLU 43 -12.294 8.805 5.217 347 2HB GLU 43 1HB GLU 43 -12.335 10.192 6.295 348 1HG GLU 43 2HG GLU 43 -13.534 11.413 4.869 349 2HG GLU 43 1HG GLU 43 -12.572 10.908 3.480 350 H LEU 44 H LEU 44 -10.218 7.670 5.053 351 HA LEU 44 HA LEU 44 -9.227 7.363 7.641 352 1HB LEU 44 2HB LEU 44 -9.759 5.710 5.454 353 2HB LEU 44 1HB LEU 44 -8.058 5.460 5.794 354 HG LEU 44 HG LEU 44 -9.383 3.812 6.968 355 1HD1 LEU 44 1HD1 LEU 44 -7.420 4.390 8.132 356 2HD1 LEU 44 2HD1 LEU 44 -8.706 4.386 9.339 357 3HD1 LEU 44 3HD1 LEU 44 -8.107 5.914 8.693 358 1HD2 LEU 44 1HD2 LEU 44 -11.148 4.279 8.398 359 2HD2 LEU 44 2HD2 LEU 44 -11.398 5.425 7.080 360 3HD2 LEU 44 3HD2 LEU 44 -10.674 5.965 8.595 361 H PHE 45 H PHE 45 -7.326 7.756 8.574 362 HA PHE 45 HA PHE 45 -5.194 8.919 6.991 363 1HB PHE 45 2HB PHE 45 -6.001 9.774 9.273 364 2HB PHE 45 1HB PHE 45 -5.128 8.410 9.961 365 HD1 PHE 45 1HD PHE 45 -4.515 11.124 7.469 366 HD2 PHE 45 2HD PHE 45 -3.024 8.849 10.741 367 HE1 PHE 45 1HE PHE 45 -2.440 12.447 7.439 368 HE2 PHE 45 2HE PHE 45 -0.947 10.166 10.717 369 HZ PHE 45 HZ PHE 45 -0.652 11.968 9.063 370 H PHE 46 H PHE 46 -4.971 6.743 5.896 371 HA PHE 46 HA PHE 46 -3.874 4.532 7.255 372 1HB PHE 46 2HB PHE 46 -4.015 5.377 4.386 373 2HB PHE 46 1HB PHE 46 -3.022 3.995 4.837 374 HD1 PHE 46 1HD PHE 46 -6.130 4.919 3.668 375 HD2 PHE 46 2HD PHE 46 -4.321 2.319 6.509 376 HE1 PHE 46 1HE PHE 46 -8.123 3.478 3.609 377 HE2 PHE 46 2HE PHE 46 -6.311 0.873 6.456 378 HZ PHE 46 HZ PHE 46 -8.215 1.453 5.005 379 HA PRO 47 HA PRO 47 0.255 6.211 7.777 380 1HB PRO 47 2HB PRO 47 1.293 4.161 9.168 381 2HB PRO 47 1HB PRO 47 0.129 5.277 9.892 382 1HG PRO 47 2HG PRO 47 -0.317 2.538 8.772 383 2HG PRO 47 1HG PRO 47 -0.962 3.256 10.260 384 1HD PRO 47 2HD PRO 47 -2.379 3.081 7.926 385 2HD PRO 47 1HD PRO 47 -2.654 4.333 9.150 386 H VAL 48 H VAL 48 -0.506 3.056 6.453 387 HA VAL 48 HA VAL 48 1.817 3.256 4.683 388 HB VAL 48 HB VAL 48 1.052 0.656 5.992 389 1HG1 VAL 48 1HG1 VAL 48 2.557 1.116 3.785 390 2HG1 VAL 48 2HG1 VAL 48 2.757 -0.270 4.858 391 3HG1 VAL 48 3HG1 VAL 48 3.788 1.148 5.047 392 1HG2 VAL 48 1HG2 VAL 48 1.747 1.756 7.857 393 2HG2 VAL 48 2HG2 VAL 48 2.788 2.858 6.956 394 3HG2 VAL 48 3HG2 VAL 48 3.302 1.195 7.242 395 H ILE 49 H ILE 49 1.234 2.956 2.634 396 HA ILE 49 HA ILE 49 -1.295 1.563 2.064 397 HB ILE 49 HB ILE 49 0.111 3.447 0.180 398 1HG1 ILE 49 2HG1 ILE 49 -0.389 4.640 2.289 399 2HG1 ILE 49 1HG1 ILE 49 -1.368 5.227 0.947 400 1HG2 ILE 49 1HG2 ILE 49 -2.448 1.981 0.235 401 2HG2 ILE 49 2HG2 ILE 49 -1.434 2.450 -1.130 402 3HG2 ILE 49 3HG2 ILE 49 -2.508 3.632 -0.382 403 1HD1 ILE 49 1HD1 ILE 49 -2.268 3.338 3.108 404 2HD1 ILE 49 2HD1 ILE 49 -3.252 3.891 1.752 405 3HD1 ILE 49 3HD1 ILE 49 -2.689 5.044 2.962 406 H VAL 50 H VAL 50 -1.377 0.077 0.323 407 HA VAL 50 HA VAL 50 1.175 -0.667 -0.896 408 HB VAL 50 HB VAL 50 -0.603 -2.628 0.558 409 1HG1 VAL 50 1HG1 VAL 50 1.860 -3.785 -0.236 410 2HG1 VAL 50 2HG1 VAL 50 1.147 -3.024 -1.657 411 3HG1 VAL 50 3HG1 VAL 50 0.230 -4.224 -0.747 412 1HG2 VAL 50 1HG2 VAL 50 1.217 -2.929 2.066 413 2HG2 VAL 50 2HG2 VAL 50 0.908 -1.197 1.946 414 3HG2 VAL 50 3HG2 VAL 50 2.272 -1.910 1.086 415 H LEU 51 H LEU 51 0.542 -0.081 -2.899 416 HA LEU 51 HA LEU 51 -1.999 -0.961 -3.975 417 1HB LEU 51 2HB LEU 51 -1.280 1.222 -4.630 418 2HB LEU 51 1HB LEU 51 0.278 0.619 -5.155 419 HG LEU 51 HG LEU 51 -0.734 -0.516 -7.039 420 1HD1 LEU 51 1HD1 LEU 51 -3.040 -0.584 -7.478 421 2HD1 LEU 51 2HD1 LEU 51 -3.397 0.609 -6.229 422 3HD1 LEU 51 3HD1 LEU 51 -2.878 -1.015 -5.775 423 1HD2 LEU 51 1HD2 LEU 51 -1.187 2.370 -6.593 424 2HD2 LEU 51 2HD2 LEU 51 -1.997 1.641 -7.981 425 3HD2 LEU 51 3HD2 LEU 51 -0.242 1.544 -7.833 426 H ASP 52 H ASP 52 -1.561 -3.239 -3.718 427 HA ASP 52 HA ASP 52 0.510 -4.513 -5.213 428 1HB ASP 52 2HB ASP 52 -0.890 -5.338 -3.124 429 2HB ASP 52 1HB ASP 52 -1.943 -5.994 -4.374 430 H VAL 53 H VAL 53 0.202 -3.620 -7.318 431 HA VAL 53 HA VAL 53 -2.186 -3.849 -8.793 432 HB VAL 53 HB VAL 53 -0.951 -3.212 -10.707 433 1HG1 VAL 53 1HG1 VAL 53 0.274 -1.305 -9.988 434 2HG1 VAL 53 2HG1 VAL 53 0.613 -2.039 -8.422 435 3HG1 VAL 53 3HG1 VAL 53 -1.033 -1.559 -8.831 436 1HG2 VAL 53 1HG2 VAL 53 0.799 -4.645 -11.042 437 2HG2 VAL 53 2HG2 VAL 53 1.323 -4.575 -9.360 438 3HG2 VAL 53 3HG2 VAL 53 1.677 -3.234 -10.450 439 H TRP 54 H TRP 54 -3.182 -5.722 -9.184 440 HA TRP 54 HA TRP 54 -1.538 -8.067 -9.866 441 1HB TRP 54 2HB TRP 54 -2.959 -8.389 -7.900 442 2HB TRP 54 1HB TRP 54 -4.383 -7.939 -8.831 443 HD1 TRP 54 HD TRP 54 -5.754 -10.052 -9.274 444 HE1 TRP 54 1HE TRP 54 -5.243 -12.478 -9.967 445 HE3 TRP 54 3HE TRP 54 -0.654 -9.809 -9.356 446 HZ2 TRP 54 2HZ TRP 54 -2.972 -14.078 -10.480 447 HZ3 TRP 54 3HZ TRP 54 0.618 -11.830 -9.958 448 HH2 TRP 54 HH TRP 54 -0.521 -13.920 -10.508 449 H MET 55 H MET 55 -4.960 -7.531 -10.553 450 HA MET 55 HA MET 55 -4.660 -8.437 -13.239 451 1HB MET 55 2HB MET 55 -6.769 -8.160 -11.427 452 2HB MET 55 1HB MET 55 -7.155 -7.047 -12.732 453 1HG MET 55 2HG MET 55 -6.249 -9.597 -13.745 454 2HG MET 55 1HG MET 55 -7.627 -9.778 -12.662 455 1HE MET 55 1HE MET 55 -9.014 -10.776 -14.266 456 2HE MET 55 2HE MET 55 -8.236 -10.617 -15.840 457 3HE MET 55 3HE MET 55 -9.861 -9.978 -15.591 458 HA PRO 56 HA PRO 56 -5.447 -3.790 -14.275 459 1HB PRO 56 2HB PRO 56 -4.997 -1.945 -12.374 460 2HB PRO 56 1HB PRO 56 -6.548 -2.783 -12.506 461 1HG PRO 56 2HG PRO 56 -4.251 -3.331 -10.659 462 2HG PRO 56 1HG PRO 56 -5.986 -3.265 -10.294 463 1HD PRO 56 2HD PRO 56 -4.639 -5.589 -10.683 464 2HD PRO 56 1HD PRO 56 -6.358 -5.395 -11.075 465 H ASP 57 H ASP 57 -3.925 -1.608 -14.012 466 HA ASP 57 HA ASP 57 -1.205 -2.645 -14.387 467 1HB ASP 57 2HB ASP 57 -2.368 -0.007 -15.304 468 2HB ASP 57 1HB ASP 57 -0.787 -0.657 -15.727 469 H GLY 58 H GLY 58 -3.091 -0.283 -12.604 470 1HA GLY 58 2HA GLY 58 -2.579 1.001 -10.774 471 2HA GLY 58 1HA GLY 58 -1.282 -0.145 -10.467 472 H ASP 59 H ASP 59 -1.866 2.210 -13.072 473 HA ASP 59 HA ASP 59 0.883 3.153 -12.749 474 1HB ASP 59 2HB ASP 59 -0.280 2.478 -15.006 475 2HB ASP 59 1HB ASP 59 -0.943 4.108 -14.923 476 H GLY 60 H GLY 60 -1.153 3.870 -10.813 477 1HA GLY 60 2HA GLY 60 -2.024 6.547 -11.319 478 2HA GLY 60 1HA GLY 60 -2.071 5.712 -9.774 479 H VAL 61 H VAL 61 0.368 7.033 -12.020 480 HA VAL 61 HA VAL 61 2.431 7.399 -10.241 481 HB VAL 61 HB VAL 61 1.747 9.313 -12.471 482 1HG1 VAL 61 1HG1 VAL 61 4.314 8.557 -11.102 483 2HG1 VAL 61 2HG1 VAL 61 3.531 10.137 -11.138 484 3HG1 VAL 61 3HG1 VAL 61 4.239 9.471 -12.609 485 1HG2 VAL 61 1HG2 VAL 61 2.938 6.563 -12.534 486 2HG2 VAL 61 2HG2 VAL 61 3.332 7.754 -13.773 487 3HG2 VAL 61 3HG2 VAL 61 1.660 7.244 -13.540 488 H ASN 62 H ASN 62 -0.236 9.622 -10.978 489 HA ASN 62 HA ASN 62 0.634 11.684 -9.267 490 1HB ASN 62 2HB ASN 62 -1.672 12.523 -9.661 491 2HB ASN 62 1HB ASN 62 -0.802 12.153 -11.135 492 1HD2 ASN 62 1HD2 ASN 62 -3.688 11.870 -9.608 493 2HD2 ASN 62 2HD2 ASN 62 -4.337 10.515 -10.462 494 H PHE 63 H PHE 63 -1.175 8.757 -8.782 495 HA PHE 63 HA PHE 63 -2.683 9.403 -6.539 496 1HB PHE 63 2HB PHE 63 -2.884 7.265 -7.765 497 2HB PHE 63 1HB PHE 63 -1.329 6.758 -7.110 498 HD1 PHE 63 1HD PHE 63 -4.594 8.081 -5.892 499 HD2 PHE 63 2HD PHE 63 -1.359 5.388 -5.265 500 HE1 PHE 63 1HE PHE 63 -5.725 7.195 -3.897 501 HE2 PHE 63 2HE PHE 63 -2.485 4.498 -3.266 502 HZ PHE 63 HZ PHE 63 -4.672 5.404 -2.581 503 H ILE 64 H ILE 64 0.662 8.216 -6.707 504 HA ILE 64 HA ILE 64 1.242 7.867 -4.058 505 HB ILE 64 HB ILE 64 3.041 9.111 -6.143 506 1HG1 ILE 64 2HG1 ILE 64 3.839 6.495 -5.652 507 2HG1 ILE 64 1HG1 ILE 64 2.081 6.401 -5.643 508 1HG2 ILE 64 1HG2 ILE 64 4.726 7.845 -4.469 509 2HG2 ILE 64 2HG2 ILE 64 3.491 8.370 -3.323 510 3HG2 ILE 64 3HG2 ILE 64 4.318 9.555 -4.334 511 1HD1 ILE 64 1HD1 ILE 64 3.833 7.430 -7.856 512 2HD1 ILE 64 2HD1 ILE 64 2.073 7.533 -7.850 513 3HD1 ILE 64 3HD1 ILE 64 2.863 5.958 -7.849 514 H ASP 65 H ASP 65 0.736 10.876 -5.741 515 HA ASP 65 HA ASP 65 1.827 12.531 -3.669 516 1HB ASP 65 2HB ASP 65 0.768 12.903 -6.321 517 2HB ASP 65 1HB ASP 65 0.007 14.044 -5.216 518 H PHE 66 H PHE 66 -1.367 11.342 -4.555 519 HA PHE 66 HA PHE 66 -2.927 12.921 -2.869 520 1HB PHE 66 2HB PHE 66 -4.226 11.653 -4.296 521 2HB PHE 66 1HB PHE 66 -3.235 10.214 -4.094 522 HD1 PHE 66 1HD PHE 66 -3.887 8.518 -2.635 523 HD2 PHE 66 2HD PHE 66 -5.738 12.339 -2.369 524 HE1 PHE 66 1HE PHE 66 -5.520 7.610 -1.041 525 HE2 PHE 66 2HE PHE 66 -7.377 11.439 -0.771 526 HZ PHE 66 HZ PHE 66 -7.271 9.070 -0.105 527 H ILE 67 H ILE 67 -1.327 9.816 -2.245 528 HA ILE 67 HA ILE 67 -2.184 9.407 0.366 529 HB ILE 67 HB ILE 67 0.417 8.637 -0.961 530 1HG1 ILE 67 2HG1 ILE 67 -0.875 6.334 -0.634 531 2HG1 ILE 67 1HG1 ILE 67 -2.278 7.397 -0.642 532 1HG2 ILE 67 1HG2 ILE 67 0.983 8.555 1.302 533 2HG2 ILE 67 2HG2 ILE 67 0.475 6.906 0.935 534 3HG2 ILE 67 3HG2 ILE 67 -0.622 8.000 1.779 535 1HD1 ILE 67 1HD1 ILE 67 -0.549 8.079 -2.814 536 2HD1 ILE 67 2HD1 ILE 67 -2.218 7.514 -2.847 537 3HD1 ILE 67 3HD1 ILE 67 -0.894 6.349 -2.839 538 H LYS 68 H LYS 68 0.583 11.273 -0.847 539 HA LYS 68 HA LYS 68 1.435 12.013 1.803 540 1HB LYS 68 2HB LYS 68 2.247 13.247 -0.836 541 2HB LYS 68 1HB LYS 68 3.101 13.371 0.696 542 1HG LYS 68 2HG LYS 68 2.945 10.658 0.314 543 2HG LYS 68 1HG LYS 68 3.173 11.277 -1.324 544 1HD LYS 68 2HD LYS 68 4.909 11.920 1.060 545 2HD LYS 68 1HD LYS 68 5.314 10.787 -0.230 546 1HE LYS 68 2HE LYS 68 5.878 12.427 -1.660 547 2HE LYS 68 1HE LYS 68 4.543 13.462 -1.153 548 1HZ LYS 68 1HZ LYS 68 6.349 14.633 -0.412 549 2HZ LYS 68 2HZ LYS 68 7.255 13.252 -0.042 550 3HZ LYS 68 3HZ LYS 68 5.988 13.729 0.972 551 H GLU 69 H GLU 69 -0.774 13.222 -0.551 552 HA GLU 69 HA GLU 69 -0.836 15.934 0.248 553 1HB GLU 69 2HB GLU 69 -1.757 14.908 -1.893 554 2HB GLU 69 1HB GLU 69 -3.147 14.417 -0.935 555 1HG GLU 69 2HG GLU 69 -3.894 16.570 -0.662 556 2HG GLU 69 1HG GLU 69 -2.294 17.268 -0.899 557 H ASN 70 H ASN 70 -2.688 13.087 1.222 558 HA ASN 70 HA ASN 70 -3.817 14.670 3.437 559 1HB ASN 70 2HB ASN 70 -5.084 12.144 2.414 560 2HB ASN 70 1HB ASN 70 -5.817 13.454 3.334 561 1HD2 ASN 70 1HD2 ASN 70 -4.307 12.748 0.217 562 2HD2 ASN 70 2HD2 ASN 70 -5.284 13.834 -0.702 563 H SER 71 H SER 71 -1.348 12.781 3.007 564 HA SER 71 HA SER 71 -1.393 11.743 5.675 565 1HB SER 71 2HB SER 71 -2.131 10.002 3.467 566 2HB SER 71 1HB SER 71 -0.701 9.405 4.308 567 HG SER 71 HG SER 71 -1.841 9.252 6.164 568 HA PRO 72 HA PRO 72 2.734 12.847 3.775 569 1HB PRO 72 2HB PRO 72 2.990 14.601 6.105 570 2HB PRO 72 1HB PRO 72 3.151 14.993 4.392 571 1HG PRO 72 2HG PRO 72 1.058 15.833 5.879 572 2HG PRO 72 1HG PRO 72 0.912 15.460 4.152 573 1HD PRO 72 2HD PRO 72 0.122 13.813 6.522 574 2HD PRO 72 1HD PRO 72 -0.727 14.052 4.980 575 H ASP 73 H ASP 73 1.554 11.868 6.829 576 HA ASP 73 HA ASP 73 4.195 10.986 7.719 577 1HB ASP 73 2HB ASP 73 2.102 12.123 9.094 578 2HB ASP 73 1HB ASP 73 1.974 10.416 9.510 579 H SER 74 H SER 74 2.364 9.742 5.591 580 HA SER 74 HA SER 74 2.012 7.082 6.763 581 1HB SER 74 2HB SER 74 0.095 8.033 5.541 582 2HB SER 74 1HB SER 74 1.089 8.166 4.090 583 HG SER 74 HG SER 74 -0.345 6.122 4.796 584 H VAL 75 H VAL 75 2.222 5.602 4.344 585 HA VAL 75 HA VAL 75 4.882 6.109 3.309 586 HB VAL 75 HB VAL 75 4.348 3.462 4.648 587 1HG1 VAL 75 1HG1 VAL 75 6.771 4.713 3.346 588 2HG1 VAL 75 2HG1 VAL 75 5.866 3.307 2.787 589 3HG1 VAL 75 3HG1 VAL 75 6.809 3.214 4.275 590 1HG2 VAL 75 1HG2 VAL 75 4.517 5.074 6.397 591 2HG2 VAL 75 2HG2 VAL 75 5.882 5.872 5.614 592 3HG2 VAL 75 3HG2 VAL 75 6.075 4.255 6.290 593 H VAL 76 H VAL 76 5.170 5.418 1.331 594 HA VAL 76 HA VAL 76 2.995 3.889 0.080 595 HB VAL 76 HB VAL 76 5.147 5.384 -1.393 596 1HG1 VAL 76 1HG1 VAL 76 3.915 3.824 -2.742 597 2HG1 VAL 76 2HG1 VAL 76 3.407 5.460 -3.160 598 3HG1 VAL 76 3HG1 VAL 76 2.380 4.452 -2.140 599 1HG2 VAL 76 1HG2 VAL 76 2.456 6.477 -0.584 600 2HG2 VAL 76 2HG2 VAL 76 3.708 7.312 -1.505 601 3HG2 VAL 76 3HG2 VAL 76 3.984 6.903 0.188 602 H ILE 77 H ILE 77 3.622 1.792 0.581 603 HA ILE 77 HA ILE 77 6.226 0.896 -0.435 604 HB ILE 77 HB ILE 77 4.269 -0.687 1.233 605 1HG1 ILE 77 2HG1 ILE 77 5.064 1.352 2.417 606 2HG1 ILE 77 1HG1 ILE 77 5.623 -0.138 3.169 607 1HG2 ILE 77 1HG2 ILE 77 5.622 -2.320 0.471 608 2HG2 ILE 77 2HG2 ILE 77 6.705 -1.727 1.730 609 3HG2 ILE 77 3HG2 ILE 77 6.922 -1.200 0.062 610 1HD1 ILE 77 1HD1 ILE 77 7.306 1.434 1.245 611 2HD1 ILE 77 2HD1 ILE 77 7.812 0.161 2.355 612 3HD1 ILE 77 3HD1 ILE 77 7.305 1.727 2.984 613 H VAL 78 H VAL 78 4.184 1.598 -2.247 614 HA VAL 78 HA VAL 78 2.483 -0.276 -3.229 615 HB VAL 78 HB VAL 78 4.303 1.575 -4.780 616 1HG1 VAL 78 1HG1 VAL 78 1.949 -0.039 -5.764 617 2HG1 VAL 78 2HG1 VAL 78 3.627 -0.196 -6.275 618 3HG1 VAL 78 3HG1 VAL 78 2.721 1.266 -6.663 619 1HG2 VAL 78 1HG2 VAL 78 1.461 2.154 -4.757 620 2HG2 VAL 78 2HG2 VAL 78 2.829 3.183 -4.336 621 3HG2 VAL 78 3HG2 VAL 78 2.139 2.098 -3.130 622 H ILE 79 H ILE 79 2.844 -2.390 -3.393 623 HA ILE 79 HA ILE 79 5.373 -3.343 -4.542 624 HB ILE 79 HB ILE 79 3.286 -5.146 -3.360 625 1HG1 ILE 79 2HG1 ILE 79 5.422 -3.659 -1.817 626 2HG1 ILE 79 1HG1 ILE 79 3.687 -3.393 -1.690 627 1HG2 ILE 79 1HG2 ILE 79 5.707 -6.136 -2.668 628 2HG2 ILE 79 2HG2 ILE 79 6.102 -5.320 -4.180 629 3HG2 ILE 79 3HG2 ILE 79 4.848 -6.559 -4.148 630 1HD1 ILE 79 1HD1 ILE 79 4.120 -4.712 0.141 631 2HD1 ILE 79 2HD1 ILE 79 5.328 -5.677 -0.707 632 3HD1 ILE 79 3HD1 ILE 79 3.615 -5.905 -1.055 633 H THR 80 H THR 80 5.383 -4.796 -6.299 634 HA THR 80 HA THR 80 2.896 -5.516 -7.578 635 HB THR 80 HB THR 80 3.283 -4.359 -9.657 636 HG1 THR 80 1HG THR 80 5.723 -3.670 -8.449 637 1HG2 THR 80 1HG2 THR 80 2.155 -3.069 -7.859 638 2HG2 THR 80 2HG2 THR 80 2.970 -2.081 -9.070 639 3HG2 THR 80 3HG2 THR 80 3.711 -2.328 -7.489 640 H GLY 81 H GLY 81 3.158 -7.021 -9.307 641 1HA GLY 81 2HA GLY 81 5.808 -7.966 -9.975 642 2HA GLY 81 1HA GLY 81 4.891 -9.065 -8.956 643 H HIS 82 H HIS 82 5.849 -8.984 -11.896 644 HA HIS 82 HA HIS 82 5.142 -9.841 -13.879 645 1HB HIS 82 2HB HIS 82 2.804 -10.816 -12.224 646 2HB HIS 82 1HB HIS 82 3.186 -11.354 -13.855 647 HD1 HIS 82 1HD HIS 82 6.303 -10.989 -12.162 648 HD2 HIS 82 2HD HIS 82 3.300 -13.861 -12.181 649 HE1 HIS 82 1HE HIS 82 7.365 -13.079 -11.252 650 HE2 HIS 82 2HE HIS 82 5.506 -14.778 -11.192 651 H GLY 83 H GLY 83 4.894 -7.545 -14.472 652 1HA GLY 83 2HA GLY 83 2.773 -6.991 -16.056 653 2HA GLY 83 1HA GLY 83 2.223 -6.439 -14.481 654 H SER 84 H SER 84 5.220 -6.222 -16.405 655 HA SER 84 HA SER 84 6.549 -4.459 -16.950 656 1HB SER 84 2HB SER 84 3.853 -3.240 -16.732 657 2HB SER 84 1HB SER 84 5.219 -2.126 -16.686 658 HG SER 84 HG SER 84 5.045 -2.320 -18.787 659 H VAL 85 H VAL 85 8.134 -3.497 -15.839 660 HA VAL 85 HA VAL 85 7.614 -2.838 -13.016 661 HB VAL 85 HB VAL 85 10.064 -3.112 -12.684 662 1HG1 VAL 85 1HG1 VAL 85 8.213 -5.271 -13.463 663 2HG1 VAL 85 2HG1 VAL 85 9.103 -5.023 -11.961 664 3HG1 VAL 85 3HG1 VAL 85 9.918 -5.710 -13.366 665 1HG2 VAL 85 1HG2 VAL 85 11.522 -3.596 -14.337 666 2HG2 VAL 85 2HG2 VAL 85 10.292 -2.851 -15.358 667 3HG2 VAL 85 3HG2 VAL 85 10.366 -4.606 -15.206 668 H ASP 86 H ASP 86 7.124 -1.051 -15.277 669 HA ASP 86 HA ASP 86 9.241 0.951 -15.019 670 1HB ASP 86 2HB ASP 86 8.379 0.442 -17.272 671 2HB ASP 86 1HB ASP 86 6.769 0.945 -16.767 672 H THR 87 H THR 87 5.744 0.565 -14.355 673 HA THR 87 HA THR 87 5.201 3.145 -13.500 674 HB THR 87 HB THR 87 3.637 1.075 -13.759 675 HG1 THR 87 1HG THR 87 3.213 2.825 -11.574 676 1HG2 THR 87 1HG2 THR 87 4.656 -0.339 -12.041 677 2HG2 THR 87 2HG2 THR 87 2.965 0.016 -11.687 678 3HG2 THR 87 3HG2 THR 87 4.244 0.863 -10.817 679 H ALA 88 H ALA 88 6.914 0.551 -11.958 680 HA ALA 88 HA ALA 88 6.931 1.402 -9.304 681 1HB ALA 88 1HB ALA 88 9.239 0.092 -10.730 682 2HB ALA 88 2HB ALA 88 7.794 -0.781 -10.221 683 3HB ALA 88 3HB ALA 88 8.829 -0.011 -9.019 684 H VAL 89 H VAL 89 9.433 1.889 -11.764 685 HA VAL 89 HA VAL 89 10.940 3.739 -10.292 686 HB VAL 89 HB VAL 89 12.065 4.236 -12.417 687 1HG1 VAL 89 1HG1 VAL 89 12.886 2.302 -11.393 688 2HG1 VAL 89 2HG1 VAL 89 12.576 1.809 -13.057 689 3HG1 VAL 89 3HG1 VAL 89 11.438 1.374 -11.783 690 1HG2 VAL 89 1HG2 VAL 89 11.309 3.558 -14.509 691 2HG2 VAL 89 2HG2 VAL 89 9.838 4.119 -13.716 692 3HG2 VAL 89 3HG2 VAL 89 10.176 2.391 -13.828 693 H LYS 90 H LYS 90 8.088 4.113 -12.233 694 HA LYS 90 HA LYS 90 8.396 6.975 -12.532 695 1HB LYS 90 2HB LYS 90 7.298 5.590 -14.273 696 2HB LYS 90 1HB LYS 90 6.010 5.223 -13.135 697 1HG LYS 90 2HG LYS 90 5.278 7.480 -13.100 698 2HG LYS 90 1HG LYS 90 6.707 8.021 -13.983 699 1HD LYS 90 2HD LYS 90 4.727 6.066 -15.130 700 2HD LYS 90 1HD LYS 90 4.564 7.812 -15.324 701 1HE LYS 90 2HE LYS 90 7.204 6.680 -15.990 702 2HE LYS 90 1HE LYS 90 5.879 6.221 -17.060 703 1HZ LYS 90 1HZ LYS 90 7.099 8.263 -17.733 704 2HZ LYS 90 2HZ LYS 90 6.512 9.030 -16.345 705 3HZ LYS 90 3HZ LYS 90 5.435 8.491 -17.534 706 H ALA 91 H ALA 91 6.768 4.734 -10.420 707 HA ALA 91 HA ALA 91 5.163 6.812 -9.182 708 1HB ALA 91 1HB ALA 91 4.534 4.833 -7.651 709 2HB ALA 91 2HB ALA 91 5.374 3.845 -8.847 710 3HB ALA 91 3HB ALA 91 3.983 4.817 -9.326 711 H ILE 92 H ILE 92 7.960 4.799 -8.405 712 HA ILE 92 HA ILE 92 8.167 5.703 -5.713 713 HB ILE 92 HB ILE 92 10.190 4.503 -5.556 714 1HG1 ILE 92 2HG1 ILE 92 10.289 4.560 -8.586 715 2HG1 ILE 92 1HG1 ILE 92 11.379 5.395 -7.484 716 1HG2 ILE 92 1HG2 ILE 92 9.497 2.427 -7.178 717 2HG2 ILE 92 2HG2 ILE 92 7.980 3.316 -7.076 718 3HG2 ILE 92 3HG2 ILE 92 8.775 2.762 -5.606 719 1HD1 ILE 92 1HD1 ILE 92 12.311 3.321 -6.741 720 2HD1 ILE 92 2HD1 ILE 92 12.332 3.348 -8.504 721 3HD1 ILE 92 3HD1 ILE 92 11.111 2.404 -7.652 722 H LYS 93 H LYS 93 8.859 7.203 -8.648 723 HA LYS 93 HA LYS 93 11.066 8.803 -7.673 724 1HB LYS 93 2HB LYS 93 10.126 8.086 -10.203 725 2HB LYS 93 1HB LYS 93 9.784 9.805 -10.079 726 1HG LYS 93 2HG LYS 93 12.144 10.199 -9.481 727 2HG LYS 93 1HG LYS 93 12.462 8.479 -9.715 728 1HD LYS 93 2HD LYS 93 12.989 9.120 -11.811 729 2HD LYS 93 1HD LYS 93 11.242 9.080 -12.051 730 1HE LYS 93 2HE LYS 93 11.314 11.532 -11.234 731 2HE LYS 93 1HE LYS 93 13.036 11.436 -11.601 732 1HZ LYS 93 1HZ LYS 93 12.648 11.279 -13.827 733 2HZ LYS 93 2HZ LYS 93 11.310 12.216 -13.388 734 3HZ LYS 93 3HZ LYS 93 11.131 10.555 -13.644 735 H LYS 94 H LYS 94 7.608 9.095 -8.179 736 HA LYS 94 HA LYS 94 7.341 11.863 -7.866 737 1HB LYS 94 2HB LYS 94 5.432 9.635 -7.159 738 2HB LYS 94 1HB LYS 94 5.000 11.340 -7.175 739 1HG LYS 94 2HG LYS 94 6.237 10.335 -9.645 740 2HG LYS 94 1HG LYS 94 4.651 9.662 -9.256 741 1HD LYS 94 2HD LYS 94 3.604 11.577 -9.753 742 2HD LYS 94 1HD LYS 94 4.786 12.548 -8.872 743 1HE LYS 94 2HE LYS 94 6.315 11.980 -10.926 744 2HE LYS 94 1HE LYS 94 4.773 11.695 -11.731 745 1HZ LYS 94 1HZ LYS 94 5.955 14.081 -11.580 746 2HZ LYS 94 2HZ LYS 94 4.951 14.165 -10.221 747 3HZ LYS 94 3HZ LYS 94 4.284 13.873 -11.750 748 H GLY 95 H GLY 95 6.721 9.343 -5.410 749 1HA GLY 95 2HA GLY 95 8.177 10.659 -3.378 750 2HA GLY 95 1HA GLY 95 6.478 11.083 -3.240 751 H ALA 96 H ALA 96 7.502 7.936 -4.404 752 HA ALA 96 HA ALA 96 6.161 6.728 -2.123 753 1HB ALA 96 1HB ALA 96 5.681 4.997 -3.462 754 2HB ALA 96 2HB ALA 96 7.327 4.904 -4.090 755 3HB ALA 96 3HB ALA 96 6.186 6.062 -4.774 756 H TYR 97 H TYR 97 7.254 4.530 -1.436 757 HA TYR 97 HA TYR 97 9.961 5.248 -0.569 758 1HB TYR 97 2HB TYR 97 8.127 4.687 1.093 759 2HB TYR 97 1HB TYR 97 8.235 3.030 0.513 760 HD1 TYR 97 1HD TYR 97 9.741 1.562 1.504 761 HD2 TYR 97 2HD TYR 97 10.335 5.751 1.957 762 HE1 TYR 97 1HE TYR 97 11.575 1.125 3.082 763 HE2 TYR 97 2HE TYR 97 12.171 5.325 3.536 764 HH TYR 97 HH TYR 97 13.532 2.212 3.980 765 H GLU 98 H GLU 98 9.352 4.163 -3.197 766 HA GLU 98 HA GLU 98 10.459 2.824 -4.673 767 1HB GLU 98 2HB GLU 98 12.465 1.956 -4.117 768 2HB GLU 98 1HB GLU 98 12.223 2.849 -2.627 769 1HG GLU 98 2HG GLU 98 11.052 0.578 -1.902 770 2HG GLU 98 1HG GLU 98 12.129 -0.068 -3.138 771 H PHE 99 H PHE 99 9.843 1.015 -5.716 772 HA PHE 99 HA PHE 99 7.602 -0.407 -4.753 773 1HB PHE 99 2HB PHE 99 9.244 -0.341 -7.182 774 2HB PHE 99 1HB PHE 99 8.563 -1.923 -6.838 775 HD1 PHE 99 1HD PHE 99 7.056 1.401 -6.153 776 HD2 PHE 99 2HD PHE 99 6.945 -2.151 -8.495 777 HE1 PHE 99 1HE PHE 99 4.919 2.121 -7.142 778 HE2 PHE 99 2HE PHE 99 4.810 -1.436 -9.488 779 HZ PHE 99 HZ PHE 99 3.794 0.703 -8.810 780 H LEU 100 H LEU 100 7.486 -2.169 -3.509 781 HA LEU 100 HA LEU 100 9.817 -3.382 -2.439 782 1HB LEU 100 2HB LEU 100 7.390 -3.119 -1.471 783 2HB LEU 100 1HB LEU 100 7.115 -4.652 -2.273 784 HG LEU 100 HG LEU 100 7.651 -5.235 -0.073 785 1HD1 LEU 100 1HD1 LEU 100 8.895 -6.545 -1.704 786 2HD1 LEU 100 2HD1 LEU 100 9.817 -6.353 -0.213 787 3HD1 LEU 100 3HD1 LEU 100 10.224 -5.389 -1.634 788 1HD2 LEU 100 1HD2 LEU 100 10.172 -3.651 0.008 789 2HD2 LEU 100 2HD2 LEU 100 9.119 -4.168 1.326 790 3HD2 LEU 100 3HD2 LEU 100 8.636 -2.829 0.285 791 H GLU 101 H GLU 101 10.641 -3.863 -4.714 792 HA GLU 101 HA GLU 101 9.729 -6.546 -5.522 793 1HB GLU 101 2HB GLU 101 10.290 -4.133 -7.101 794 2HB GLU 101 1HB GLU 101 11.042 -5.593 -7.727 795 1HG GLU 101 2HG GLU 101 8.167 -5.678 -6.977 796 2HG GLU 101 1HG GLU 101 8.635 -4.867 -8.470 797 H LYS 102 H LYS 102 11.143 -8.001 -4.840 798 HA LYS 102 HA LYS 102 13.842 -7.974 -5.701 799 1HB LYS 102 2HB LYS 102 13.262 -6.842 -3.075 800 2HB LYS 102 1HB LYS 102 14.395 -8.182 -2.992 801 1HG LYS 102 2HG LYS 102 16.015 -7.070 -4.157 802 2HG LYS 102 1HG LYS 102 14.853 -6.072 -5.033 803 1HD LYS 102 2HD LYS 102 15.422 -4.441 -3.612 804 2HD LYS 102 1HD LYS 102 14.463 -5.316 -2.416 805 1HE LYS 102 2HE LYS 102 17.418 -5.684 -2.902 806 2HE LYS 102 1HE LYS 102 16.710 -4.747 -1.586 807 1HZ LYS 102 1HZ LYS 102 15.972 -7.575 -1.939 808 2HZ LYS 102 2HZ LYS 102 15.952 -6.634 -0.535 809 3HZ LYS 102 3HZ LYS 102 17.424 -7.176 -1.170 810 HA PRO 103 HA PRO 103 13.088 -11.968 -3.236 811 1HB PRO 103 2HB PRO 103 11.252 -12.120 -1.305 812 2HB PRO 103 1HB PRO 103 12.806 -11.326 -1.020 813 1HG PRO 103 2HG PRO 103 10.135 -10.108 -1.606 814 2HG PRO 103 1HG PRO 103 11.363 -9.601 -0.432 815 1HD PRO 103 2HD PRO 103 11.021 -8.462 -2.919 816 2HD PRO 103 1HD PRO 103 12.535 -8.422 -1.995 817 H PHE 104 H PHE 104 11.036 -13.578 -2.623 818 HA PHE 104 HA PHE 104 9.012 -13.165 -4.719 819 1HB PHE 104 2HB PHE 104 11.030 -14.972 -4.991 820 2HB PHE 104 1HB PHE 104 9.803 -15.964 -4.210 821 HD1 PHE 104 1HD PHE 104 10.699 -14.095 -7.216 822 HD2 PHE 104 2HD PHE 104 7.719 -16.476 -5.328 823 HE1 PHE 104 1HE PHE 104 9.575 -14.398 -9.383 824 HE2 PHE 104 2HE PHE 104 6.589 -16.784 -7.492 825 HZ PHE 104 HZ PHE 104 7.517 -15.745 -9.523 826 H SER 105 H SER 105 8.899 -12.694 -1.855 827 HA SER 105 HA SER 105 6.514 -14.240 -1.297 828 1HB SER 105 2HB SER 105 8.315 -15.645 -0.359 829 2HB SER 105 1HB SER 105 8.856 -14.283 0.620 830 HG SER 105 HG SER 105 7.294 -15.965 1.517 831 H VAL 106 H VAL 106 6.113 -13.546 1.329 832 HA VAL 106 HA VAL 106 5.928 -10.615 1.140 833 HB VAL 106 HB VAL 106 3.774 -11.807 1.251 834 1HG1 VAL 106 1HG1 VAL 106 4.014 -12.517 4.078 835 2HG1 VAL 106 2HG1 VAL 106 5.009 -13.494 2.999 836 3HG1 VAL 106 3HG1 VAL 106 3.268 -13.395 2.743 837 1HG2 VAL 106 1HG2 VAL 106 3.000 -10.615 3.461 838 2HG2 VAL 106 2HG2 VAL 106 3.510 -9.677 2.057 839 3HG2 VAL 106 3HG2 VAL 106 4.624 -9.929 3.401 840 H GLU 107 H GLU 107 6.963 -13.275 3.175 841 HA GLU 107 HA GLU 107 7.313 -12.251 5.634 842 1HB GLU 107 2HB GLU 107 8.103 -14.489 4.656 843 2HB GLU 107 1HB GLU 107 9.609 -13.651 4.305 844 1HG GLU 107 2HG GLU 107 8.447 -13.615 7.056 845 2HG GLU 107 1HG GLU 107 9.394 -14.991 6.491 846 H ARG 108 H ARG 108 9.412 -11.549 2.863 847 HA ARG 108 HA ARG 108 11.256 -9.943 4.292 848 1HB ARG 108 2HB ARG 108 11.251 -10.995 1.816 849 2HB ARG 108 1HB ARG 108 10.764 -9.351 1.427 850 1HG ARG 108 2HG ARG 108 12.949 -8.919 1.352 851 2HG ARG 108 1HG ARG 108 12.868 -8.931 3.115 852 1HD ARG 108 2HD ARG 108 13.649 -11.201 1.295 853 2HD ARG 108 1HD ARG 108 14.675 -10.346 2.447 854 HE ARG 108 HE ARG 108 12.403 -11.622 3.655 855 1HH1 ARG 108 1HH1 ARG 108 15.696 -12.064 2.590 856 2HH1 ARG 108 2HH1 ARG 108 15.996 -13.391 3.661 857 1HH2 ARG 108 1HH2 ARG 108 12.796 -13.368 5.063 858 2HH2 ARG 108 2HH2 ARG 108 14.349 -14.133 5.064 859 H PHE 109 H PHE 109 8.313 -9.230 2.481 860 HA PHE 109 HA PHE 109 8.437 -6.436 2.543 861 1HB PHE 109 2HB PHE 109 6.836 -7.493 1.113 862 2HB PHE 109 1HB PHE 109 6.097 -8.348 2.462 863 HD1 PHE 109 1HD PHE 109 7.035 -4.767 2.363 864 HD2 PHE 109 2HD PHE 109 3.877 -7.618 2.290 865 HE1 PHE 109 1HE PHE 109 5.396 -2.951 2.618 866 HE2 PHE 109 2HE PHE 109 2.231 -5.807 2.542 867 HZ PHE 109 HZ PHE 109 2.991 -3.469 2.706 868 H LEU 110 H LEU 110 7.552 -8.758 4.983 869 HA LEU 110 HA LEU 110 6.162 -7.026 6.721 870 1HB LEU 110 2HB LEU 110 6.896 -9.719 6.676 871 2HB LEU 110 1HB LEU 110 7.588 -9.059 8.146 872 HG LEU 110 HG LEU 110 4.684 -8.793 7.380 873 1HD1 LEU 110 1HD1 LEU 110 6.094 -10.777 9.140 874 2HD1 LEU 110 2HD1 LEU 110 5.066 -11.096 7.745 875 3HD1 LEU 110 3HD1 LEU 110 4.362 -10.460 9.231 876 1HD2 LEU 110 1HD2 LEU 110 5.377 -7.029 8.848 877 2HD2 LEU 110 2HD2 LEU 110 6.212 -8.170 9.902 878 3HD2 LEU 110 3HD2 LEU 110 4.453 -8.201 9.787 879 H LEU 111 H LEU 111 9.571 -7.839 6.380 880 HA LEU 111 HA LEU 111 10.543 -6.651 8.709 881 1HB LEU 111 2HB LEU 111 11.720 -7.250 6.039 882 2HB LEU 111 1HB LEU 111 12.636 -6.288 7.183 883 HG LEU 111 HG LEU 111 12.392 -8.159 8.838 884 1HD1 LEU 111 1HD1 LEU 111 11.491 -9.754 6.449 885 2HD1 LEU 111 2HD1 LEU 111 10.407 -9.174 7.714 886 3HD1 LEU 111 3HD1 LEU 111 11.691 -10.317 8.109 887 1HD2 LEU 111 1HD2 LEU 111 14.253 -7.762 6.928 888 2HD2 LEU 111 2HD2 LEU 111 13.729 -9.398 6.525 889 3HD2 LEU 111 3HD2 LEU 111 14.344 -9.041 8.140 890 H THR 112 H THR 112 10.387 -5.255 5.430 891 HA THR 112 HA THR 112 11.254 -2.692 6.135 892 HB THR 112 HB THR 112 9.445 -3.574 3.877 893 HG1 THR 112 1HG THR 112 12.224 -3.024 3.882 894 1HG2 THR 112 1HG2 THR 112 10.653 -1.480 2.821 895 2HG2 THR 112 2HG2 THR 112 10.639 -0.934 4.498 896 3HG2 THR 112 3HG2 THR 112 9.125 -1.336 3.689 897 H ILE 113 H ILE 113 7.999 -4.063 5.959 898 HA ILE 113 HA ILE 113 6.395 -1.895 6.262 899 HB ILE 113 HB ILE 113 6.202 -4.686 7.291 900 1HG1 ILE 113 2HG1 ILE 113 5.652 -4.104 4.953 901 2HG1 ILE 113 1HG1 ILE 113 4.266 -4.755 5.822 902 1HG2 ILE 113 1HG2 ILE 113 5.244 -3.539 9.146 903 2HG2 ILE 113 2HG2 ILE 113 3.916 -4.179 8.179 904 3HG2 ILE 113 3HG2 ILE 113 4.329 -2.466 8.087 905 1HD1 ILE 113 1HD1 ILE 113 4.349 -1.891 6.048 906 2HD1 ILE 113 2HD1 ILE 113 3.080 -2.936 5.408 907 3HD1 ILE 113 3HD1 ILE 113 4.390 -2.394 4.358 908 H LYS 114 H LYS 114 7.778 -3.683 9.034 909 HA LYS 114 HA LYS 114 6.862 -2.097 11.076 910 1HB LYS 114 2HB LYS 114 8.203 -4.205 11.311 911 2HB LYS 114 1HB LYS 114 9.644 -3.264 10.950 912 1HG LYS 114 2HG LYS 114 7.907 -2.313 13.153 913 2HG LYS 114 1HG LYS 114 8.859 -3.773 13.429 914 1HD LYS 114 2HD LYS 114 9.949 -1.111 12.515 915 2HD LYS 114 1HD LYS 114 10.048 -1.751 14.156 916 1HE LYS 114 2HE LYS 114 11.062 -3.791 12.589 917 2HE LYS 114 1HE LYS 114 11.685 -2.329 11.825 918 1HZ LYS 114 1HZ LYS 114 11.873 -2.483 14.731 919 2HZ LYS 114 2HZ LYS 114 12.956 -1.827 13.609 920 3HZ LYS 114 3HZ LYS 114 12.897 -3.499 13.849 921 H HIS 115 H HIS 115 10.028 -1.775 9.492 922 HA HIS 115 HA HIS 115 10.792 0.629 10.617 923 1HB HIS 115 2HB HIS 115 12.092 -0.982 9.074 924 2HB HIS 115 1HB HIS 115 11.422 -0.024 7.759 925 HD1 HIS 115 1HD HIS 115 11.703 2.760 9.239 926 HD2 HIS 115 2HD HIS 115 14.690 -0.098 8.818 927 HE1 HIS 115 1HE HIS 115 13.870 4.014 9.464 928 HE2 HIS 115 2HE HIS 115 15.661 2.252 9.288 929 H ALA 116 H ALA 116 8.464 0.017 8.096 930 HA ALA 116 HA ALA 116 8.395 2.637 7.004 931 1HB ALA 116 1HB ALA 116 5.848 1.319 6.812 932 2HB ALA 116 2HB ALA 116 7.153 0.180 6.479 933 3HB ALA 116 3HB ALA 116 7.023 1.671 5.546 934 H PHE 117 H PHE 117 6.605 1.028 9.591 935 HA PHE 117 HA PHE 117 4.809 3.165 10.086 936 1HB PHE 117 2HB PHE 117 5.593 0.660 11.502 937 2HB PHE 117 1HB PHE 117 4.712 1.889 12.404 938 HD1 PHE 117 1HD PHE 117 2.443 2.503 11.771 939 HD2 PHE 117 2HD PHE 117 4.537 -0.615 9.772 940 HE1 PHE 117 1HE PHE 117 0.321 1.695 10.824 941 HE2 PHE 117 2HE PHE 117 2.418 -1.431 8.820 942 HZ PHE 117 HZ PHE 117 0.307 -0.273 9.347 943 H GLU 118 H GLU 118 8.078 2.536 11.054 944 HA GLU 118 HA GLU 118 8.299 3.937 13.421 945 1HB GLU 118 2HB GLU 118 10.212 3.548 11.146 946 2HB GLU 118 1HB GLU 118 10.662 4.492 12.559 947 1HG GLU 118 2HG GLU 118 9.774 2.319 13.802 948 2HG GLU 118 1HG GLU 118 10.244 1.578 12.273 949 H GLU 119 H GLU 119 7.773 5.166 10.226 950 HA GLU 119 HA GLU 119 8.594 7.851 10.800 951 1HB GLU 119 2HB GLU 119 6.873 6.781 8.559 952 2HB GLU 119 1HB GLU 119 7.564 8.396 8.634 953 1HG GLU 119 2HG GLU 119 9.817 7.406 8.620 954 2HG GLU 119 1HG GLU 119 9.090 5.808 8.464 955 H TYR 120 H TYR 120 5.978 6.069 11.804 956 HA TYR 120 HA TYR 120 4.408 8.511 12.276 957 1HB TYR 120 2HB TYR 120 3.331 7.110 10.539 958 2HB TYR 120 1HB TYR 120 3.282 5.766 11.676 959 HD1 TYR 120 1HD TYR 120 1.140 5.363 12.410 960 HD2 TYR 120 2HD TYR 120 2.388 9.396 11.891 961 HE1 TYR 120 1HE TYR 120 -1.042 6.139 13.237 962 HE2 TYR 120 2HE TYR 120 0.211 10.183 12.718 963 HH TYR 120 HH TYR 120 -1.636 9.363 14.114 964 H SER 121 H SER 121 6.392 7.170 13.944 965 HA SER 121 HA SER 121 4.905 7.115 16.380 966 1HB SER 121 2HB SER 121 6.087 4.518 15.370 967 2HB SER 121 1HB SER 121 5.546 4.787 17.027 968 HG SER 121 HG SER 121 4.092 4.227 14.802 Start of MODEL 33 1 1H MET 1 1HT MET 1 -1.258 3.799 17.289 2 2H MET 1 2HT MET 1 -0.205 2.539 16.791 3 3H MET 1 3HT MET 1 -1.874 2.470 16.399 4 HA MET 1 HA MET 1 -1.724 4.178 14.893 5 1HB MET 1 2HB MET 1 -0.343 5.623 16.340 6 2HB MET 1 1HB MET 1 1.066 4.635 15.977 7 1HG MET 1 2HG MET 1 1.298 5.484 13.877 8 2HG MET 1 1HG MET 1 -0.423 5.826 13.704 9 1HE MET 1 1HE MET 1 0.330 8.934 12.881 10 2HE MET 1 2HE MET 1 1.254 7.483 12.493 11 3HE MET 1 3HE MET 1 2.046 8.849 13.279 12 H LYS 2 H LYS 2 -1.448 1.448 14.671 13 HA LYS 2 HA LYS 2 0.568 1.232 12.539 14 1HB LYS 2 2HB LYS 2 -0.179 -1.060 14.348 15 2HB LYS 2 1HB LYS 2 1.141 -0.984 13.190 16 1HG LYS 2 2HG LYS 2 1.272 1.086 15.242 17 2HG LYS 2 1HG LYS 2 1.356 -0.557 15.878 18 1HD LYS 2 2HD LYS 2 3.049 -0.779 13.798 19 2HD LYS 2 1HD LYS 2 3.269 0.929 14.186 20 1HE LYS 2 2HE LYS 2 4.889 -0.296 15.427 21 2HE LYS 2 1HE LYS 2 3.656 0.246 16.564 22 1HZ LYS 2 1HZ LYS 2 2.671 -1.939 16.522 23 2HZ LYS 2 2HZ LYS 2 4.308 -2.068 16.928 24 3HZ LYS 2 3HZ LYS 2 3.791 -2.469 15.368 25 H ARG 3 H ARG 3 -0.885 1.531 10.885 26 HA ARG 3 HA ARG 3 -2.658 -0.723 10.354 27 1HB ARG 3 2HB ARG 3 -3.720 2.050 9.919 28 2HB ARG 3 1HB ARG 3 -4.602 0.532 10.009 29 1HG ARG 3 2HG ARG 3 -5.146 1.463 12.022 30 2HG ARG 3 1HG ARG 3 -3.722 0.523 12.477 31 1HD ARG 3 2HD ARG 3 -2.395 2.385 12.696 32 2HD ARG 3 1HD ARG 3 -3.357 3.335 11.564 33 HE ARG 3 HE ARG 3 -3.769 3.069 14.402 34 1HH1 ARG 3 1HH1 ARG 3 -5.252 3.869 11.345 35 2HH1 ARG 3 2HH1 ARG 3 -6.500 4.832 12.062 36 1HH2 ARG 3 1HH2 ARG 3 -5.409 4.334 15.345 37 2HH2 ARG 3 2HH2 ARG 3 -6.590 5.095 14.332 38 H VAL 4 H VAL 4 -1.867 -1.448 8.468 39 HA VAL 4 HA VAL 4 -0.865 0.476 6.508 40 HB VAL 4 HB VAL 4 -0.752 -2.531 6.293 41 1HG1 VAL 4 1HG1 VAL 4 0.500 -0.233 4.859 42 2HG1 VAL 4 2HG1 VAL 4 -0.227 -1.702 4.210 43 3HG1 VAL 4 3HG1 VAL 4 1.366 -1.765 4.965 44 1HG2 VAL 4 1HG2 VAL 4 1.446 -0.773 7.375 45 2HG2 VAL 4 2HG2 VAL 4 1.377 -2.535 7.344 46 3HG2 VAL 4 3HG2 VAL 4 0.306 -1.629 8.413 47 H LEU 5 H LEU 5 -1.608 0.531 4.348 48 HA LEU 5 HA LEU 5 -4.322 -0.556 4.004 49 1HB LEU 5 2HB LEU 5 -4.245 1.879 4.032 50 2HB LEU 5 1HB LEU 5 -3.038 1.876 2.759 51 HG LEU 5 HG LEU 5 -4.718 0.842 1.233 52 1HD1 LEU 5 1HD1 LEU 5 -6.778 0.239 1.877 53 2HD1 LEU 5 2HD1 LEU 5 -6.968 1.639 2.933 54 3HD1 LEU 5 3HD1 LEU 5 -6.082 0.225 3.497 55 1HD2 LEU 5 1HD2 LEU 5 -6.050 3.297 2.188 56 2HD2 LEU 5 2HD2 LEU 5 -5.465 2.872 0.579 57 3HD2 LEU 5 3HD2 LEU 5 -4.333 3.437 1.809 58 H VAL 6 H VAL 6 -4.815 -1.769 2.259 59 HA VAL 6 HA VAL 6 -2.648 -2.282 0.323 60 HB VAL 6 HB VAL 6 -4.803 -4.232 1.140 61 1HG1 VAL 6 1HG1 VAL 6 -2.584 -4.268 -0.805 62 2HG1 VAL 6 2HG1 VAL 6 -4.128 -5.122 -0.824 63 3HG1 VAL 6 3HG1 VAL 6 -2.796 -5.729 0.159 64 1HG2 VAL 6 1HG2 VAL 6 -3.533 -5.040 2.812 65 2HG2 VAL 6 2HG2 VAL 6 -2.830 -3.423 2.799 66 3HG2 VAL 6 3HG2 VAL 6 -2.024 -4.742 1.951 67 H VAL 7 H VAL 7 -3.114 -2.251 -1.821 68 HA VAL 7 HA VAL 7 -5.924 -1.878 -2.615 69 HB VAL 7 HB VAL 7 -3.656 -0.410 -3.953 70 1HG1 VAL 7 1HG1 VAL 7 -5.906 -0.860 -5.088 71 2HG1 VAL 7 2HG1 VAL 7 -5.305 0.799 -5.078 72 3HG1 VAL 7 3HG1 VAL 7 -6.566 0.310 -3.945 73 1HG2 VAL 7 1HG2 VAL 7 -5.535 0.770 -1.916 74 2HG2 VAL 7 2HG2 VAL 7 -4.159 1.550 -2.696 75 3HG2 VAL 7 3HG2 VAL 7 -3.894 0.245 -1.540 76 H ASP 8 H ASP 8 -6.489 -3.511 -3.901 77 HA ASP 8 HA ASP 8 -4.792 -4.263 -6.118 78 1HB ASP 8 2HB ASP 8 -3.883 -5.654 -4.327 79 2HB ASP 8 1HB ASP 8 -5.489 -6.264 -3.952 80 H ASP 9 H ASP 9 -5.959 -4.929 -7.828 81 HA ASP 9 HA ASP 9 -8.854 -5.015 -7.514 82 1HB ASP 9 2HB ASP 9 -7.807 -3.585 -9.268 83 2HB ASP 9 1HB ASP 9 -7.209 -5.044 -10.052 84 H GLU 10 H GLU 10 -7.847 -7.220 -6.373 85 HA GLU 10 HA GLU 10 -8.070 -9.369 -8.361 86 1HB GLU 10 2HB GLU 10 -7.197 -10.833 -6.538 87 2HB GLU 10 1HB GLU 10 -6.089 -9.556 -7.019 88 1HG GLU 10 2HG GLU 10 -6.738 -8.243 -5.073 89 2HG GLU 10 1HG GLU 10 -7.875 -9.503 -4.596 90 H GLU 11 H GLU 11 -9.342 -8.351 -5.210 91 HA GLU 11 HA GLU 11 -11.979 -9.037 -5.719 92 1HB GLU 11 2HB GLU 11 -11.914 -11.068 -3.972 93 2HB GLU 11 1HB GLU 11 -11.800 -11.306 -5.709 94 1HG GLU 11 2HG GLU 11 -9.640 -11.952 -5.618 95 2HG GLU 11 1HG GLU 11 -9.255 -10.867 -4.285 96 H SER 12 H SER 12 -10.195 -9.969 -2.798 97 HA SER 12 HA SER 12 -11.305 -7.608 -1.441 98 1HB SER 12 2HB SER 12 -11.509 -9.140 0.610 99 2HB SER 12 1HB SER 12 -12.704 -9.352 -0.668 100 HG SER 12 HG SER 12 -11.302 -11.228 0.334 101 H ILE 13 H ILE 13 -9.348 -10.269 -0.161 102 HA ILE 13 HA ILE 13 -7.290 -8.305 0.567 103 HB ILE 13 HB ILE 13 -7.358 -11.142 1.537 104 1HG1 ILE 13 2HG1 ILE 13 -9.571 -10.114 2.002 105 2HG1 ILE 13 1HG1 ILE 13 -8.661 -10.460 3.469 106 1HG2 ILE 13 1HG2 ILE 13 -5.392 -10.353 2.291 107 2HG2 ILE 13 2HG2 ILE 13 -6.399 -9.668 3.566 108 3HG2 ILE 13 3HG2 ILE 13 -5.907 -8.669 2.198 109 1HD1 ILE 13 1HD1 ILE 13 -8.456 -8.283 4.013 110 2HD1 ILE 13 2HD1 ILE 13 -9.917 -8.152 3.034 111 3HD1 ILE 13 3HD1 ILE 13 -8.348 -7.760 2.333 112 H THR 14 H THR 14 -5.033 -8.990 0.436 113 HA THR 14 HA THR 14 -4.536 -10.361 -2.082 114 HB THR 14 HB THR 14 -2.397 -9.368 -2.094 115 HG1 THR 14 1HG THR 14 -1.292 -9.006 -0.353 116 1HG2 THR 14 1HG2 THR 14 -3.950 -7.637 -2.525 117 2HG2 THR 14 2HG2 THR 14 -2.730 -6.979 -1.433 118 3HG2 THR 14 3HG2 THR 14 -4.313 -7.446 -0.810 119 H SER 15 H SER 15 -3.521 -12.290 -2.267 120 HA SER 15 HA SER 15 -3.648 -14.164 -0.262 121 1HB SER 15 2HB SER 15 -1.553 -14.312 -2.419 122 2HB SER 15 1HB SER 15 -2.468 -15.628 -1.684 123 HG SER 15 HG SER 15 -4.364 -14.522 -2.651 124 H SER 16 H SER 16 -2.463 -14.755 1.428 125 HA SER 16 HA SER 16 -0.640 -15.093 2.779 126 1HB SER 16 2HB SER 16 1.064 -13.163 1.253 127 2HB SER 16 1HB SER 16 1.530 -14.628 2.119 128 HG SER 16 HG SER 16 0.851 -15.849 0.453 129 H LEU 17 H LEU 17 -1.517 -11.845 1.763 130 HA LEU 17 HA LEU 17 -0.310 -10.379 3.793 131 1HB LEU 17 2HB LEU 17 -2.244 -9.936 1.764 132 2HB LEU 17 1HB LEU 17 -2.913 -9.306 3.248 133 HG LEU 17 HG LEU 17 -0.912 -8.163 1.502 134 1HD1 LEU 17 1HD1 LEU 17 -2.535 -6.690 1.978 135 2HD1 LEU 17 2HD1 LEU 17 -1.450 -6.267 3.302 136 3HD1 LEU 17 3HD1 LEU 17 -2.819 -7.343 3.590 137 1HD2 LEU 17 1HD2 LEU 17 0.516 -7.232 3.345 138 2HD2 LEU 17 2HD2 LEU 17 0.789 -8.933 2.974 139 3HD2 LEU 17 3HD2 LEU 17 -0.144 -8.483 4.399 140 H SER 18 H SER 18 -3.715 -11.447 3.722 141 HA SER 18 HA SER 18 -4.535 -10.734 6.207 142 1HB SER 18 2HB SER 18 -5.640 -12.208 4.239 143 2HB SER 18 1HB SER 18 -5.337 -13.478 5.423 144 HG SER 18 HG SER 18 -6.633 -11.055 6.093 145 H ALA 19 H ALA 19 -3.328 -14.031 5.551 146 HA ALA 19 HA ALA 19 -3.127 -14.917 8.146 147 1HB ALA 19 1HB ALA 19 -2.793 -16.302 6.120 148 2HB ALA 19 2HB ALA 19 -1.561 -16.566 7.354 149 3HB ALA 19 3HB ALA 19 -1.192 -15.588 5.934 150 H ILE 20 H ILE 20 -0.799 -13.011 6.306 151 HA ILE 20 HA ILE 20 1.267 -13.080 8.243 152 HB ILE 20 HB ILE 20 0.717 -11.207 5.948 153 1HG1 ILE 20 2HG1 ILE 20 3.017 -13.103 6.233 154 2HG1 ILE 20 1HG1 ILE 20 1.443 -13.686 5.705 155 1HG2 ILE 20 1HG2 ILE 20 2.802 -11.071 8.062 156 2HG2 ILE 20 2HG2 ILE 20 1.974 -9.770 7.206 157 3HG2 ILE 20 3HG2 ILE 20 3.260 -10.673 6.405 158 1HD1 ILE 20 1HD1 ILE 20 3.454 -12.126 4.274 159 2HD1 ILE 20 2HD1 ILE 20 1.798 -11.553 4.073 160 3HD1 ILE 20 3HD1 ILE 20 2.211 -13.219 3.665 161 H LEU 21 H LEU 21 -0.645 -10.199 7.303 162 HA LEU 21 HA LEU 21 -0.025 -8.626 9.467 163 1HB LEU 21 2HB LEU 21 -2.730 -8.785 8.148 164 2HB LEU 21 1HB LEU 21 -2.088 -7.422 9.047 165 HG LEU 21 HG LEU 21 -0.343 -8.218 6.860 166 1HD1 LEU 21 1HD1 LEU 21 -1.864 -8.586 5.290 167 2HD1 LEU 21 2HD1 LEU 21 -2.293 -6.883 5.426 168 3HD1 LEU 21 3HD1 LEU 21 -3.186 -8.094 6.345 169 1HD2 LEU 21 1HD2 LEU 21 -1.548 -5.744 7.992 170 2HD2 LEU 21 2HD2 LEU 21 -0.871 -5.696 6.364 171 3HD2 LEU 21 3HD2 LEU 21 0.145 -6.159 7.730 172 H GLU 22 H GLU 22 -2.219 -11.325 9.291 173 HA GLU 22 HA GLU 22 -3.642 -10.892 11.683 174 1HB GLU 22 2HB GLU 22 -3.132 -13.225 9.916 175 2HB GLU 22 1HB GLU 22 -3.752 -13.534 11.532 176 1HG GLU 22 2HG GLU 22 -5.373 -11.512 10.622 177 2HG GLU 22 1HG GLU 22 -5.098 -12.487 9.180 178 H GLU 23 H GLU 23 -0.487 -12.213 10.987 179 HA GLU 23 HA GLU 23 -0.108 -13.341 13.600 180 1HB GLU 23 2HB GLU 23 1.107 -14.379 11.842 181 2HB GLU 23 1HB GLU 23 1.699 -12.838 11.240 182 1HG GLU 23 2HG GLU 23 3.486 -12.925 12.537 183 2HG GLU 23 1HG GLU 23 2.515 -13.267 13.968 184 H GLU 24 H GLU 24 0.764 -10.389 11.881 185 HA GLU 24 HA GLU 24 2.275 -9.336 14.088 186 1HB GLU 24 2HB GLU 24 1.268 -7.989 11.576 187 2HB GLU 24 1HB GLU 24 2.378 -7.267 12.733 188 1HG GLU 24 2HG GLU 24 2.973 -9.821 11.271 189 2HG GLU 24 1HG GLU 24 3.413 -8.228 10.658 190 H GLY 25 H GLY 25 1.543 -6.786 14.444 191 1HA GLY 25 2HA GLY 25 -1.212 -7.009 15.487 192 2HA GLY 25 1HA GLY 25 0.067 -6.100 16.279 193 H TYR 26 H TYR 26 -0.831 -6.179 12.858 194 HA TYR 26 HA TYR 26 -1.104 -3.261 12.936 195 1HB TYR 26 2HB TYR 26 -0.805 -5.144 10.589 196 2HB TYR 26 1HB TYR 26 -0.919 -3.393 10.472 197 HD1 TYR 26 1HD TYR 26 1.317 -5.308 9.512 198 HD2 TYR 26 2HD TYR 26 0.852 -2.891 12.979 199 HE1 TYR 26 1HE TYR 26 3.758 -5.141 9.712 200 HE2 TYR 26 2HE TYR 26 3.292 -2.713 13.190 201 HH TYR 26 HH TYR 26 5.303 -4.019 12.484 202 H HIS 27 H HIS 27 -2.625 -2.512 11.064 203 HA HIS 27 HA HIS 27 -5.181 -3.956 11.222 204 1HB HIS 27 2HB HIS 27 -4.720 -1.563 12.497 205 2HB HIS 27 1HB HIS 27 -5.375 -1.028 10.954 206 HD1 HIS 27 1HD HIS 27 -7.844 -0.927 10.843 207 HD2 HIS 27 2HD HIS 27 -6.533 -3.555 13.782 208 HE1 HIS 27 1HE HIS 27 -9.924 -1.725 12.010 209 HE2 HIS 27 2HE HIS 27 -9.113 -3.395 13.712 210 HA PRO 28 HA PRO 28 -4.009 -3.249 6.861 211 1HB PRO 28 2HB PRO 28 -4.651 -5.684 5.943 212 2HB PRO 28 1HB PRO 28 -3.142 -5.374 6.809 213 1HG PRO 28 2HG PRO 28 -5.682 -6.597 7.804 214 2HG PRO 28 1HG PRO 28 -4.007 -7.069 8.137 215 1HD PRO 28 2HD PRO 28 -5.561 -5.564 9.836 216 2HD PRO 28 1HD PRO 28 -3.788 -5.535 9.820 217 H ASP 29 H ASP 29 -5.302 -2.237 5.529 218 HA ASP 29 HA ASP 29 -8.127 -3.051 5.348 219 1HB ASP 29 2HB ASP 29 -7.971 -0.847 6.388 220 2HB ASP 29 1HB ASP 29 -6.933 -0.278 5.089 221 H THR 30 H THR 30 -8.526 -3.973 3.433 222 HA THR 30 HA THR 30 -6.753 -3.309 1.192 223 HB THR 30 HB THR 30 -7.345 -5.425 0.230 224 HG1 THR 30 1HG THR 30 -9.298 -5.499 2.270 225 1HG2 THR 30 1HG2 THR 30 -6.235 -6.802 1.625 226 2HG2 THR 30 2HG2 THR 30 -7.176 -6.319 3.035 227 3HG2 THR 30 3HG2 THR 30 -5.878 -5.283 2.445 228 H ALA 31 H ALA 31 -7.494 -2.708 -0.783 229 HA ALA 31 HA ALA 31 -10.349 -1.999 -0.954 230 1HB ALA 31 1HB ALA 31 -8.513 -0.153 -0.905 231 2HB ALA 31 2HB ALA 31 -9.831 -0.039 -2.071 232 3HB ALA 31 3HB ALA 31 -8.250 -0.626 -2.583 233 H LYS 32 H LYS 32 -10.468 -1.408 -3.655 234 HA LYS 32 HA LYS 32 -9.639 -3.911 -4.952 235 1HB LYS 32 2HB LYS 32 -12.227 -2.778 -5.825 236 2HB LYS 32 1HB LYS 32 -11.728 -4.456 -5.664 237 1HG LYS 32 2HG LYS 32 -12.194 -4.485 -3.364 238 2HG LYS 32 1HG LYS 32 -12.288 -2.727 -3.280 239 1HD LYS 32 2HD LYS 32 -14.278 -2.873 -4.822 240 2HD LYS 32 1HD LYS 32 -14.238 -4.621 -4.578 241 1HE LYS 32 2HE LYS 32 -15.015 -4.478 -2.454 242 2HE LYS 32 1HE LYS 32 -14.188 -2.952 -2.141 243 1HZ LYS 32 1HZ LYS 32 -16.777 -3.398 -3.492 244 2HZ LYS 32 2HZ LYS 32 -15.911 -1.962 -3.716 245 3HZ LYS 32 3HZ LYS 32 -16.433 -2.403 -2.168 246 H THR 33 H THR 33 -9.568 -0.584 -5.035 247 HA THR 33 HA THR 33 -8.283 -0.501 -7.543 248 HB THR 33 HB THR 33 -10.233 -0.512 -8.753 249 HG1 THR 33 1HG THR 33 -10.635 1.543 -9.410 250 1HG2 THR 33 1HG2 THR 33 -12.184 1.081 -7.697 251 2HG2 THR 33 2HG2 THR 33 -11.496 0.310 -6.267 252 3HG2 THR 33 3HG2 THR 33 -12.119 -0.677 -7.589 253 H LEU 34 H LEU 34 -8.031 1.936 -8.221 254 HA LEU 34 HA LEU 34 -6.864 3.253 -6.003 255 1HB LEU 34 2HB LEU 34 -7.522 4.293 -8.762 256 2HB LEU 34 1HB LEU 34 -6.539 5.144 -7.586 257 HG LEU 34 HG LEU 34 -5.837 2.439 -8.725 258 1HD1 LEU 34 1HD1 LEU 34 -4.378 4.928 -9.450 259 2HD1 LEU 34 2HD1 LEU 34 -5.899 4.567 -10.269 260 3HD1 LEU 34 3HD1 LEU 34 -4.561 3.420 -10.347 261 1HD2 LEU 34 1HD2 LEU 34 -4.949 3.564 -6.427 262 2HD2 LEU 34 2HD2 LEU 34 -3.781 4.200 -7.584 263 3HD2 LEU 34 3HD2 LEU 34 -4.004 2.458 -7.424 264 H ARG 35 H ARG 35 -9.958 3.495 -7.604 265 HA ARG 35 HA ARG 35 -10.778 5.925 -6.364 266 1HB ARG 35 2HB ARG 35 -12.564 3.725 -7.415 267 2HB ARG 35 1HB ARG 35 -12.973 5.423 -7.211 268 1HG ARG 35 2HG ARG 35 -11.812 6.072 -9.080 269 2HG ARG 35 1HG ARG 35 -10.725 4.683 -9.019 270 1HD ARG 35 2HD ARG 35 -12.259 3.270 -10.006 271 2HD ARG 35 1HD ARG 35 -13.637 4.254 -9.514 272 HE ARG 35 HE ARG 35 -12.290 5.850 -11.250 273 1HH1 ARG 35 1HH1 ARG 35 -13.544 2.599 -11.433 274 2HH1 ARG 35 2HH1 ARG 35 -13.835 2.672 -13.138 275 1HH2 ARG 35 1HH2 ARG 35 -12.672 5.949 -13.494 276 2HH2 ARG 35 2HH2 ARG 35 -13.340 4.575 -14.308 277 H GLU 36 H GLU 36 -11.137 2.498 -5.609 278 HA GLU 36 HA GLU 36 -12.837 2.851 -3.364 279 1HB GLU 36 2HB GLU 36 -11.089 0.598 -4.326 280 2HB GLU 36 1HB GLU 36 -11.910 0.502 -2.774 281 1HG GLU 36 2HG GLU 36 -13.251 0.912 -5.437 282 2HG GLU 36 1HG GLU 36 -13.156 -0.612 -4.557 283 H ALA 37 H ALA 37 -9.345 2.765 -3.812 284 HA ALA 37 HA ALA 37 -8.735 2.730 -1.015 285 1HB ALA 37 1HB ALA 37 -6.786 3.798 -2.994 286 2HB ALA 37 2HB ALA 37 -7.267 2.106 -3.126 287 3HB ALA 37 3HB ALA 37 -6.533 2.700 -1.637 288 H GLU 38 H GLU 38 -8.675 5.263 -3.523 289 HA GLU 38 HA GLU 38 -7.833 7.401 -2.044 290 1HB GLU 38 2HB GLU 38 -8.881 7.088 -4.542 291 2HB GLU 38 1HB GLU 38 -10.124 8.046 -3.751 292 1HG GLU 38 2HG GLU 38 -8.619 9.801 -3.299 293 2HG GLU 38 1HG GLU 38 -7.223 8.806 -3.707 294 H LYS 39 H LYS 39 -11.141 6.134 -2.251 295 HA LYS 39 HA LYS 39 -12.342 8.038 -0.576 296 1HB LYS 39 2HB LYS 39 -13.637 6.465 -1.949 297 2HB LYS 39 1HB LYS 39 -13.061 5.124 -0.968 298 1HG LYS 39 2HG LYS 39 -14.331 7.231 0.595 299 2HG LYS 39 1HG LYS 39 -15.401 6.495 -0.599 300 1HD LYS 39 2HD LYS 39 -14.187 4.301 0.457 301 2HD LYS 39 1HD LYS 39 -14.251 5.370 1.859 302 1HE LYS 39 2HE LYS 39 -16.556 5.425 1.880 303 2HE LYS 39 1HE LYS 39 -16.685 5.032 0.166 304 1HZ LYS 39 1HZ LYS 39 -15.522 3.010 1.924 305 2HZ LYS 39 2HZ LYS 39 -16.510 2.821 0.565 306 3HZ LYS 39 3HZ LYS 39 -17.189 3.274 2.047 307 H LYS 40 H LYS 40 -11.095 4.786 0.162 308 HA LYS 40 HA LYS 40 -11.455 4.876 2.927 309 1HB LYS 40 2HB LYS 40 -9.242 3.448 1.445 310 2HB LYS 40 1HB LYS 40 -9.847 3.060 3.049 311 1HG LYS 40 2HG LYS 40 -11.847 3.062 0.884 312 2HG LYS 40 1HG LYS 40 -10.620 1.795 0.814 313 1HD LYS 40 2HD LYS 40 -11.175 1.125 3.097 314 2HD LYS 40 1HD LYS 40 -12.388 2.403 3.183 315 1HE LYS 40 2HE LYS 40 -13.750 0.685 2.591 316 2HE LYS 40 1HE LYS 40 -13.248 1.189 0.978 317 1HZ LYS 40 1HZ LYS 40 -12.732 -0.974 0.781 318 2HZ LYS 40 2HZ LYS 40 -12.603 -1.225 2.449 319 3HZ LYS 40 3HZ LYS 40 -11.315 -0.538 1.596 320 H ILE 41 H ILE 41 -9.078 6.408 0.920 321 HA ILE 41 HA ILE 41 -7.411 7.054 3.243 322 HB ILE 41 HB ILE 41 -6.906 7.712 0.346 323 1HG1 ILE 41 2HG1 ILE 41 -5.476 5.552 1.857 324 2HG1 ILE 41 1HG1 ILE 41 -7.038 5.209 1.118 325 1HG2 ILE 41 1HG2 ILE 41 -5.293 7.969 2.856 326 2HG2 ILE 41 2HG2 ILE 41 -5.595 9.169 1.599 327 3HG2 ILE 41 3HG2 ILE 41 -4.507 7.818 1.284 328 1HD1 ILE 41 1HD1 ILE 41 -5.671 4.582 -0.577 329 2HD1 ILE 41 2HD1 ILE 41 -4.413 5.740 -0.142 330 3HD1 ILE 41 3HD1 ILE 41 -5.860 6.286 -0.990 331 H LYS 42 H LYS 42 -9.955 8.378 1.454 332 HA LYS 42 HA LYS 42 -9.218 11.129 1.583 333 1HB LYS 42 2HB LYS 42 -11.639 9.596 0.852 334 2HB LYS 42 1HB LYS 42 -11.869 11.272 1.330 335 1HG LYS 42 2HG LYS 42 -9.894 11.648 -0.390 336 2HG LYS 42 1HG LYS 42 -10.530 10.145 -1.060 337 1HD LYS 42 2HD LYS 42 -12.287 11.194 -1.946 338 2HD LYS 42 1HD LYS 42 -12.664 11.986 -0.415 339 1HE LYS 42 2HE LYS 42 -10.428 13.337 -1.275 340 2HE LYS 42 1HE LYS 42 -11.294 13.017 -2.777 341 1HZ LYS 42 1HZ LYS 42 -12.003 14.751 -0.563 342 2HZ LYS 42 2HZ LYS 42 -13.282 13.857 -1.218 343 3HZ LYS 42 3HZ LYS 42 -12.375 14.887 -2.206 344 H GLU 43 H GLU 43 -10.194 8.942 3.941 345 HA GLU 43 HA GLU 43 -10.821 11.151 5.758 346 1HB GLU 43 2HB GLU 43 -12.335 8.538 5.642 347 2HB GLU 43 1HB GLU 43 -12.577 9.811 6.832 348 1HG GLU 43 2HG GLU 43 -13.099 11.326 4.846 349 2HG GLU 43 1HG GLU 43 -13.223 9.839 3.907 350 H LEU 44 H LEU 44 -9.998 7.715 5.473 351 HA LEU 44 HA LEU 44 -8.993 7.533 8.147 352 1HB LEU 44 2HB LEU 44 -9.676 5.741 6.109 353 2HB LEU 44 1HB LEU 44 -7.956 5.511 6.358 354 HG LEU 44 HG LEU 44 -9.270 3.954 7.703 355 1HD1 LEU 44 1HD1 LEU 44 -7.254 4.325 8.737 356 2HD1 LEU 44 2HD1 LEU 44 -8.380 4.795 10.011 357 3HD1 LEU 44 3HD1 LEU 44 -7.594 6.031 9.029 358 1HD2 LEU 44 1HD2 LEU 44 -11.270 5.338 7.968 359 2HD2 LEU 44 2HD2 LEU 44 -10.378 6.419 9.039 360 3HD2 LEU 44 3HD2 LEU 44 -10.677 4.749 9.521 361 H PHE 45 H PHE 45 -7.154 8.399 8.805 362 HA PHE 45 HA PHE 45 -5.152 9.325 6.987 363 1HB PHE 45 2HB PHE 45 -5.743 10.357 9.239 364 2HB PHE 45 1HB PHE 45 -4.847 9.033 9.977 365 HD1 PHE 45 1HD PHE 45 -4.188 11.197 7.010 366 HD2 PHE 45 2HD PHE 45 -2.861 9.819 10.811 367 HE1 PHE 45 1HE PHE 45 -2.098 12.468 6.737 368 HE2 PHE 45 2HE PHE 45 -0.769 11.088 10.546 369 HZ PHE 45 HZ PHE 45 -0.385 12.414 8.506 370 H PHE 46 H PHE 46 -5.081 6.993 6.090 371 HA PHE 46 HA PHE 46 -3.811 4.927 7.452 372 1HB PHE 46 2HB PHE 46 -4.175 5.611 4.568 373 2HB PHE 46 1HB PHE 46 -3.065 4.311 4.995 374 HD1 PHE 46 1HD PHE 46 -6.353 5.051 4.138 375 HD2 PHE 46 2HD PHE 46 -4.077 2.592 6.761 376 HE1 PHE 46 1HE PHE 46 -8.258 3.502 4.332 377 HE2 PHE 46 2HE PHE 46 -5.976 1.039 6.961 378 HZ PHE 46 HZ PHE 46 -8.069 1.495 5.746 379 HA PRO 47 HA PRO 47 0.276 6.738 7.836 380 1HB PRO 47 2HB PRO 47 1.426 4.597 9.058 381 2HB PRO 47 1HB PRO 47 0.395 5.751 9.912 382 1HG PRO 47 2HG PRO 47 -0.282 3.053 8.816 383 2HG PRO 47 1HG PRO 47 -0.750 3.782 10.363 384 1HD PRO 47 2HD PRO 47 -2.421 3.687 8.236 385 2HD PRO 47 1HD PRO 47 -2.448 5.014 9.411 386 H VAL 48 H VAL 48 -0.147 3.348 6.840 387 HA VAL 48 HA VAL 48 2.030 3.742 4.905 388 HB VAL 48 HB VAL 48 1.194 1.112 6.118 389 1HG1 VAL 48 1HG1 VAL 48 3.180 1.949 4.102 390 2HG1 VAL 48 2HG1 VAL 48 2.308 0.426 4.277 391 3HG1 VAL 48 3HG1 VAL 48 3.719 0.756 5.283 392 1HG2 VAL 48 1HG2 VAL 48 2.120 2.733 7.781 393 2HG2 VAL 48 2HG2 VAL 48 3.612 2.752 6.841 394 3HG2 VAL 48 3HG2 VAL 48 3.060 1.254 7.591 395 H ILE 49 H ILE 49 1.497 3.607 2.831 396 HA ILE 49 HA ILE 49 -1.072 2.348 2.129 397 HB ILE 49 HB ILE 49 0.434 4.267 0.366 398 1HG1 ILE 49 2HG1 ILE 49 0.039 5.388 2.519 399 2HG1 ILE 49 1HG1 ILE 49 -0.967 6.075 1.248 400 1HG2 ILE 49 1HG2 ILE 49 -2.511 4.103 0.393 401 2HG2 ILE 49 2HG2 ILE 49 -1.655 2.682 -0.207 402 3HG2 ILE 49 3HG2 ILE 49 -1.392 4.255 -0.961 403 1HD1 ILE 49 1HD1 ILE 49 -1.866 5.389 3.686 404 2HD1 ILE 49 2HD1 ILE 49 -2.201 3.904 2.795 405 3HD1 ILE 49 3HD1 ILE 49 -2.875 5.437 2.240 406 H VAL 50 H VAL 50 -1.083 0.586 0.887 407 HA VAL 50 HA VAL 50 1.371 -0.093 -0.601 408 HB VAL 50 HB VAL 50 -0.491 -2.034 0.774 409 1HG1 VAL 50 1HG1 VAL 50 2.129 -2.554 -0.627 410 2HG1 VAL 50 2HG1 VAL 50 0.541 -2.879 -1.318 411 3HG1 VAL 50 3HG1 VAL 50 1.070 -3.750 0.120 412 1HG2 VAL 50 1HG2 VAL 50 1.360 -2.443 2.294 413 2HG2 VAL 50 2HG2 VAL 50 0.882 -0.746 2.341 414 3HG2 VAL 50 3HG2 VAL 50 2.331 -1.230 1.459 415 H LEU 51 H LEU 51 0.871 0.351 -2.639 416 HA LEU 51 HA LEU 51 -1.757 -0.342 -3.701 417 1HB LEU 51 2HB LEU 51 -0.901 1.849 -4.261 418 2HB LEU 51 1HB LEU 51 0.569 1.148 -4.910 419 HG LEU 51 HG LEU 51 -0.659 0.157 -6.751 420 1HD1 LEU 51 1HD1 LEU 51 -2.735 -0.403 -5.735 421 2HD1 LEU 51 2HD1 LEU 51 -3.080 0.736 -7.036 422 3HD1 LEU 51 3HD1 LEU 51 -3.077 1.286 -5.360 423 1HD2 LEU 51 1HD2 LEU 51 -0.854 3.062 -6.198 424 2HD2 LEU 51 2HD2 LEU 51 -1.757 2.433 -7.577 425 3HD2 LEU 51 3HD2 LEU 51 -0.010 2.206 -7.487 426 H ASP 52 H ASP 52 -1.515 -2.624 -3.632 427 HA ASP 52 HA ASP 52 0.585 -3.959 -5.021 428 1HB ASP 52 2HB ASP 52 -1.221 -4.735 -3.148 429 2HB ASP 52 1HB ASP 52 -1.942 -5.425 -4.599 430 H VAL 53 H VAL 53 0.390 -2.719 -7.045 431 HA VAL 53 HA VAL 53 -1.790 -2.776 -8.765 432 HB VAL 53 HB VAL 53 0.060 -1.337 -9.274 433 1HG1 VAL 53 1HG1 VAL 53 2.254 -1.973 -9.624 434 2HG1 VAL 53 2HG1 VAL 53 1.821 -3.641 -9.995 435 3HG1 VAL 53 3HG1 VAL 53 1.747 -3.061 -8.333 436 1HG2 VAL 53 1HG2 VAL 53 0.271 -1.667 -11.596 437 2HG2 VAL 53 2HG2 VAL 53 -1.286 -2.373 -11.160 438 3HG2 VAL 53 3HG2 VAL 53 0.108 -3.416 -11.443 439 H TRP 54 H TRP 54 -2.737 -4.872 -8.593 440 HA TRP 54 HA TRP 54 -1.239 -7.148 -9.586 441 1HB TRP 54 2HB TRP 54 -2.740 -7.493 -7.701 442 2HB TRP 54 1HB TRP 54 -4.104 -6.901 -8.641 443 HD1 TRP 54 HD TRP 54 -5.605 -8.914 -9.116 444 HE1 TRP 54 1HE TRP 54 -5.254 -11.319 -9.959 445 HE3 TRP 54 3HE TRP 54 -0.495 -8.969 -9.312 446 HZ2 TRP 54 2HZ TRP 54 -3.097 -13.017 -10.617 447 HZ3 TRP 54 3HZ TRP 54 0.633 -11.023 -10.058 448 HH2 TRP 54 HH TRP 54 -0.641 -13.005 -10.696 449 H MET 55 H MET 55 -4.601 -6.372 -10.411 450 HA MET 55 HA MET 55 -3.862 -6.119 -13.223 451 1HB MET 55 2HB MET 55 -5.447 -7.771 -13.967 452 2HB MET 55 1HB MET 55 -4.356 -8.519 -12.811 453 1HG MET 55 2HG MET 55 -5.992 -8.938 -11.338 454 2HG MET 55 1HG MET 55 -6.814 -7.413 -11.652 455 1HE MET 55 1HE MET 55 -9.278 -8.138 -14.426 456 2HE MET 55 2HE MET 55 -7.794 -7.186 -14.442 457 3HE MET 55 3HE MET 55 -8.857 -7.138 -13.035 458 HA PRO 56 HA PRO 56 -7.476 -3.456 -11.714 459 1HB PRO 56 2HB PRO 56 -6.249 -1.086 -11.380 460 2HB PRO 56 1HB PRO 56 -6.303 -2.298 -10.094 461 1HG PRO 56 2HG PRO 56 -4.086 -1.652 -11.998 462 2HG PRO 56 1HG PRO 56 -4.005 -1.981 -10.258 463 1HD PRO 56 2HD PRO 56 -3.424 -3.840 -12.174 464 2HD PRO 56 1HD PRO 56 -4.039 -4.252 -10.562 465 H ASP 57 H ASP 57 -7.773 -0.977 -12.660 466 HA ASP 57 HA ASP 57 -6.926 -0.987 -15.467 467 1HB ASP 57 2HB ASP 57 -9.785 -0.569 -14.566 468 2HB ASP 57 1HB ASP 57 -9.193 -0.469 -16.223 469 H GLY 58 H GLY 58 -6.100 0.576 -13.151 470 1HA GLY 58 2HA GLY 58 -6.889 3.243 -14.144 471 2HA GLY 58 1HA GLY 58 -6.744 2.911 -12.425 472 H ASP 59 H ASP 59 -5.315 4.958 -13.213 473 HA ASP 59 HA ASP 59 -2.604 4.000 -13.795 474 1HB ASP 59 2HB ASP 59 -3.772 6.790 -13.865 475 2HB ASP 59 1HB ASP 59 -2.088 6.403 -14.204 476 H GLY 60 H GLY 60 -1.932 3.245 -11.809 477 1HA GLY 60 2HA GLY 60 -2.346 4.529 -9.343 478 2HA GLY 60 1HA GLY 60 -1.086 3.353 -9.679 479 H VAL 61 H VAL 61 -0.038 5.143 -11.865 480 HA VAL 61 HA VAL 61 2.027 6.362 -10.498 481 HB VAL 61 HB VAL 61 0.913 7.277 -13.149 482 1HG1 VAL 61 1HG1 VAL 61 3.761 7.308 -12.203 483 2HG1 VAL 61 2HG1 VAL 61 2.662 8.670 -11.980 484 3HG1 VAL 61 3HG1 VAL 61 3.065 8.120 -13.605 485 1HG2 VAL 61 1HG2 VAL 61 2.650 4.935 -12.436 486 2HG2 VAL 61 2HG2 VAL 61 2.688 5.666 -14.041 487 3HG2 VAL 61 3HG2 VAL 61 1.190 4.968 -13.426 488 H ASN 62 H ASN 62 -1.028 7.773 -11.615 489 HA ASN 62 HA ASN 62 -0.363 10.371 -10.548 490 1HB ASN 62 2HB ASN 62 -2.194 9.369 -12.454 491 2HB ASN 62 1HB ASN 62 -3.157 10.107 -11.178 492 1HD2 ASN 62 1HD2 ASN 62 0.014 10.924 -12.531 493 2HD2 ASN 62 2HD2 ASN 62 -0.404 12.538 -12.984 494 H PHE 63 H PHE 63 -1.184 7.613 -9.031 495 HA PHE 63 HA PHE 63 -3.137 8.747 -7.202 496 1HB PHE 63 2HB PHE 63 -3.185 6.334 -8.035 497 2HB PHE 63 1HB PHE 63 -1.816 6.047 -6.965 498 HD1 PHE 63 1HD PHE 63 -5.155 7.704 -6.771 499 HD2 PHE 63 2HD PHE 63 -2.323 5.109 -4.940 500 HE1 PHE 63 1HE PHE 63 -6.705 7.342 -4.898 501 HE2 PHE 63 2HE PHE 63 -3.871 4.743 -3.062 502 HZ PHE 63 HZ PHE 63 -6.065 5.860 -3.039 503 H ILE 64 H ILE 64 0.212 7.592 -7.157 504 HA ILE 64 HA ILE 64 0.855 7.728 -4.514 505 HB ILE 64 HB ILE 64 2.629 8.829 -6.693 506 1HG1 ILE 64 2HG1 ILE 64 3.316 6.159 -6.136 507 2HG1 ILE 64 1HG1 ILE 64 1.563 6.168 -6.309 508 1HG2 ILE 64 1HG2 ILE 64 4.428 7.906 -5.211 509 2HG2 ILE 64 2HG2 ILE 64 3.190 7.642 -3.983 510 3HG2 ILE 64 3HG2 ILE 64 3.544 9.277 -4.542 511 1HD1 ILE 64 1HD1 ILE 64 3.374 7.435 -8.334 512 2HD1 ILE 64 2HD1 ILE 64 1.681 6.971 -8.506 513 3HD1 ILE 64 3HD1 ILE 64 2.927 5.730 -8.392 514 H ASP 65 H ASP 65 0.189 10.413 -6.639 515 HA ASP 65 HA ASP 65 1.309 12.437 -4.985 516 1HB ASP 65 2HB ASP 65 0.791 12.676 -7.440 517 2HB ASP 65 1HB ASP 65 -0.913 12.766 -7.007 518 H PHE 66 H PHE 66 -2.095 11.480 -5.559 519 HA PHE 66 HA PHE 66 -3.328 13.134 -3.755 520 1HB PHE 66 2HB PHE 66 -4.838 11.918 -5.003 521 2HB PHE 66 1HB PHE 66 -3.938 10.417 -4.830 522 HD1 PHE 66 1HD PHE 66 -4.238 9.005 -2.885 523 HD2 PHE 66 2HD PHE 66 -6.460 12.603 -3.355 524 HE1 PHE 66 1HE PHE 66 -5.791 8.269 -1.128 525 HE2 PHE 66 2HE PHE 66 -8.020 11.873 -1.597 526 HZ PHE 66 HZ PHE 66 -7.686 9.704 -0.479 527 H ILE 67 H ILE 67 -1.618 10.119 -3.129 528 HA ILE 67 HA ILE 67 -2.361 9.787 -0.443 529 HB ILE 67 HB ILE 67 -0.088 8.814 -2.117 530 1HG1 ILE 67 2HG1 ILE 67 -0.993 6.623 -1.087 531 2HG1 ILE 67 1HG1 ILE 67 -2.340 7.608 -0.527 532 1HG2 ILE 67 1HG2 ILE 67 1.239 9.144 -0.260 533 2HG2 ILE 67 2HG2 ILE 67 0.624 7.516 0.028 534 3HG2 ILE 67 3HG2 ILE 67 -0.093 8.890 0.869 535 1HD1 ILE 67 1HD1 ILE 67 -2.041 8.213 -3.238 536 2HD1 ILE 67 2HD1 ILE 67 -3.312 7.256 -2.480 537 3HD1 ILE 67 3HD1 ILE 67 -1.868 6.464 -3.110 538 H LYS 68 H LYS 68 0.394 11.496 -1.913 539 HA LYS 68 HA LYS 68 1.361 12.424 0.634 540 1HB LYS 68 2HB LYS 68 2.069 13.231 -2.195 541 2HB LYS 68 1HB LYS 68 2.899 13.816 -0.759 542 1HG LYS 68 2HG LYS 68 2.739 10.914 -0.863 543 2HG LYS 68 1HG LYS 68 3.586 11.612 -2.245 544 1HD LYS 68 2HD LYS 68 4.208 12.423 0.581 545 2HD LYS 68 1HD LYS 68 4.979 11.032 -0.182 546 1HE LYS 68 2HE LYS 68 6.318 12.319 -1.435 547 2HE LYS 68 1HE LYS 68 5.016 13.437 -1.837 548 1HZ LYS 68 1HZ LYS 68 5.405 14.079 0.698 549 2HZ LYS 68 2HZ LYS 68 6.256 14.810 -0.570 550 3HZ LYS 68 3HZ LYS 68 6.969 13.558 0.319 551 H GLU 69 H GLU 69 -0.964 13.465 -1.671 552 HA GLU 69 HA GLU 69 -0.952 16.240 -1.157 553 1HB GLU 69 2HB GLU 69 -2.045 15.191 -3.116 554 2HB GLU 69 1HB GLU 69 -3.256 14.500 -2.044 555 1HG GLU 69 2HG GLU 69 -3.654 16.967 -1.337 556 2HG GLU 69 1HG GLU 69 -2.854 17.338 -2.864 557 H ASN 70 H ASN 70 -2.974 13.615 0.129 558 HA ASN 70 HA ASN 70 -3.773 15.408 2.321 559 1HB ASN 70 2HB ASN 70 -5.215 12.882 1.537 560 2HB ASN 70 1HB ASN 70 -5.817 14.231 2.497 561 1HD2 ASN 70 1HD2 ASN 70 -4.650 13.407 -0.736 562 2HD2 ASN 70 2HD2 ASN 70 -5.654 14.527 -1.580 563 H SER 71 H SER 71 -1.434 13.355 1.882 564 HA SER 71 HA SER 71 -1.373 12.521 4.633 565 1HB SER 71 2HB SER 71 -2.226 10.665 2.569 566 2HB SER 71 1HB SER 71 -0.769 10.094 3.381 567 HG SER 71 HG SER 71 -2.896 9.541 4.344 568 HA PRO 72 HA PRO 72 2.707 13.369 2.532 569 1HB PRO 72 2HB PRO 72 3.102 15.411 4.566 570 2HB PRO 72 1HB PRO 72 3.096 15.583 2.810 571 1HG PRO 72 2HG PRO 72 1.142 16.590 4.407 572 2HG PRO 72 1HG PRO 72 0.862 16.077 2.734 573 1HD PRO 72 2HD PRO 72 0.251 14.640 5.288 574 2HD PRO 72 1HD PRO 72 -0.710 14.752 3.798 575 H ASP 73 H ASP 73 1.596 12.727 5.688 576 HA ASP 73 HA ASP 73 4.275 11.972 6.612 577 1HB ASP 73 2HB ASP 73 2.706 13.462 7.995 578 2HB ASP 73 1HB ASP 73 1.796 11.988 8.308 579 H SER 74 H SER 74 2.688 10.435 4.664 580 HA SER 74 HA SER 74 2.259 7.965 6.210 581 1HB SER 74 2HB SER 74 0.236 8.673 5.072 582 2HB SER 74 1HB SER 74 1.104 8.815 3.544 583 HG SER 74 HG SER 74 -0.177 6.795 4.066 584 H VAL 75 H VAL 75 2.467 6.009 4.491 585 HA VAL 75 HA VAL 75 5.121 6.311 3.249 586 HB VAL 75 HB VAL 75 4.039 3.745 4.419 587 1HG1 VAL 75 1HG1 VAL 75 6.616 4.593 3.168 588 2HG1 VAL 75 2HG1 VAL 75 5.686 3.114 2.935 589 3HG1 VAL 75 3HG1 VAL 75 6.629 3.339 4.407 590 1HG2 VAL 75 1HG2 VAL 75 4.276 5.232 6.263 591 2HG2 VAL 75 2HG2 VAL 75 5.825 5.826 5.665 592 3HG2 VAL 75 3HG2 VAL 75 5.686 4.174 6.265 593 H VAL 76 H VAL 76 5.548 4.754 1.501 594 HA VAL 76 HA VAL 76 3.139 3.864 0.084 595 HB VAL 76 HB VAL 76 5.292 5.143 -1.536 596 1HG1 VAL 76 1HG1 VAL 76 3.798 4.318 -3.010 597 2HG1 VAL 76 2HG1 VAL 76 2.945 5.820 -2.664 598 3HG1 VAL 76 3HG1 VAL 76 2.476 4.332 -1.844 599 1HG2 VAL 76 1HG2 VAL 76 3.319 6.583 0.182 600 2HG2 VAL 76 2HG2 VAL 76 3.758 7.254 -1.388 601 3HG2 VAL 76 3HG2 VAL 76 5.002 6.977 -0.169 602 H ILE 77 H ILE 77 3.806 1.762 0.732 603 HA ILE 77 HA ILE 77 6.325 0.754 -0.330 604 HB ILE 77 HB ILE 77 4.240 -0.820 1.172 605 1HG1 ILE 77 2HG1 ILE 77 4.937 1.191 2.465 606 2HG1 ILE 77 1HG1 ILE 77 5.427 -0.320 3.225 607 1HG2 ILE 77 1HG2 ILE 77 5.697 -2.368 0.319 608 2HG2 ILE 77 2HG2 ILE 77 6.486 -1.992 1.852 609 3HG2 ILE 77 3HG2 ILE 77 7.069 -1.261 0.357 610 1HD1 ILE 77 1HD1 ILE 77 7.199 1.477 1.589 611 2HD1 ILE 77 2HD1 ILE 77 7.688 -0.019 2.382 612 3HD1 ILE 77 3HD1 ILE 77 7.177 1.366 3.348 613 H VAL 78 H VAL 78 4.763 1.500 -2.403 614 HA VAL 78 HA VAL 78 2.949 -0.358 -3.422 615 HB VAL 78 HB VAL 78 4.858 1.320 -5.060 616 1HG1 VAL 78 1HG1 VAL 78 2.134 0.189 -5.698 617 2HG1 VAL 78 2HG1 VAL 78 3.671 -0.387 -6.339 618 3HG1 VAL 78 3HG1 VAL 78 3.092 1.225 -6.754 619 1HG2 VAL 78 1HG2 VAL 78 2.137 2.315 -4.635 620 2HG2 VAL 78 2HG2 VAL 78 3.677 3.173 -4.610 621 3HG2 VAL 78 3HG2 VAL 78 3.134 2.294 -3.180 622 H ILE 79 H ILE 79 3.131 -2.248 -4.511 623 HA ILE 79 HA ILE 79 5.819 -3.192 -5.238 624 HB ILE 79 HB ILE 79 3.909 -5.170 -4.076 625 1HG1 ILE 79 2HG1 ILE 79 5.731 -3.497 -2.343 626 2HG1 ILE 79 1HG1 ILE 79 3.999 -3.218 -2.485 627 1HG2 ILE 79 1HG2 ILE 79 5.684 -6.477 -4.342 628 2HG2 ILE 79 2HG2 ILE 79 6.583 -5.484 -3.195 629 3HG2 ILE 79 3HG2 ILE 79 6.627 -5.102 -4.916 630 1HD1 ILE 79 1HD1 ILE 79 3.601 -4.735 -0.938 631 2HD1 ILE 79 2HD1 ILE 79 5.339 -4.952 -0.735 632 3HD1 ILE 79 3HD1 ILE 79 4.451 -5.963 -1.875 633 H THR 80 H THR 80 4.593 -5.876 -5.885 634 HA THR 80 HA THR 80 3.754 -6.932 -7.709 635 HB THR 80 HB THR 80 1.757 -5.046 -8.558 636 HG1 THR 80 1HG THR 80 1.713 -4.041 -6.655 637 1HG2 THR 80 1HG2 THR 80 0.241 -6.770 -7.424 638 2HG2 THR 80 2HG2 THR 80 1.722 -7.696 -7.178 639 3HG2 THR 80 3HG2 THR 80 1.203 -7.280 -8.811 640 H GLY 81 H GLY 81 2.800 -6.225 -10.118 641 1HA GLY 81 2HA GLY 81 3.224 -4.969 -12.069 642 2HA GLY 81 1HA GLY 81 4.539 -4.157 -11.232 643 H HIS 82 H HIS 82 3.600 -6.902 -13.127 644 HA HIS 82 HA HIS 82 6.126 -8.256 -12.925 645 1HB HIS 82 2HB HIS 82 3.713 -9.156 -13.571 646 2HB HIS 82 1HB HIS 82 4.260 -8.765 -15.198 647 HD1 HIS 82 1HD HIS 82 6.171 -10.381 -12.331 648 HD2 HIS 82 2HD HIS 82 4.987 -11.157 -16.237 649 HE1 HIS 82 1HE HIS 82 7.221 -12.587 -12.926 650 HE2 HIS 82 2HE HIS 82 6.561 -12.994 -15.323 651 H GLY 83 H GLY 83 7.224 -8.853 -15.116 652 1HA GLY 83 2HA GLY 83 8.227 -8.185 -17.103 653 2HA GLY 83 1HA GLY 83 7.244 -6.728 -17.078 654 H SER 84 H SER 84 9.194 -5.620 -17.743 655 HA SER 84 HA SER 84 11.544 -5.542 -16.211 656 1HB SER 84 2HB SER 84 10.501 -4.215 -18.522 657 2HB SER 84 1HB SER 84 11.177 -3.001 -17.437 658 HG SER 84 HG SER 84 13.126 -3.804 -17.726 659 H VAL 85 H VAL 85 12.334 -3.458 -15.139 660 HA VAL 85 HA VAL 85 10.378 -2.743 -13.097 661 HB VAL 85 HB VAL 85 13.303 -2.002 -13.175 662 1HG1 VAL 85 1HG1 VAL 85 11.851 -0.696 -11.661 663 2HG1 VAL 85 2HG1 VAL 85 13.054 -1.656 -10.799 664 3HG1 VAL 85 3HG1 VAL 85 11.376 -2.195 -10.864 665 1HG2 VAL 85 1HG2 VAL 85 11.964 -4.540 -12.469 666 2HG2 VAL 85 2HG2 VAL 85 13.211 -3.973 -11.359 667 3HG2 VAL 85 3HG2 VAL 85 13.600 -4.244 -13.057 668 H ASP 86 H ASP 86 9.349 -1.503 -15.034 669 HA ASP 86 HA ASP 86 10.496 1.207 -15.167 670 1HB ASP 86 2HB ASP 86 9.076 1.496 -17.195 671 2HB ASP 86 1HB ASP 86 10.266 0.208 -17.362 672 H THR 87 H THR 87 7.730 -0.666 -14.201 673 HA THR 87 HA THR 87 5.965 1.580 -13.916 674 HB THR 87 HB THR 87 5.419 -1.008 -14.105 675 HG1 THR 87 1HG THR 87 3.404 -0.537 -13.134 676 1HG2 THR 87 1HG2 THR 87 6.575 -1.309 -11.761 677 2HG2 THR 87 2HG2 THR 87 5.130 -2.221 -12.201 678 3HG2 THR 87 3HG2 THR 87 4.993 -0.793 -11.176 679 H ALA 88 H ALA 88 8.298 -0.099 -11.965 680 HA ALA 88 HA ALA 88 7.641 0.885 -9.429 681 1HB ALA 88 1HB ALA 88 10.211 0.588 -9.087 682 2HB ALA 88 2HB ALA 88 10.153 -0.122 -10.700 683 3HB ALA 88 3HB ALA 88 9.202 -0.826 -9.394 684 H VAL 89 H VAL 89 10.136 2.030 -11.681 685 HA VAL 89 HA VAL 89 10.773 4.373 -10.301 686 HB VAL 89 HB VAL 89 11.833 5.138 -12.354 687 1HG1 VAL 89 1HG1 VAL 89 12.148 2.359 -11.404 688 2HG1 VAL 89 2HG1 VAL 89 13.313 3.682 -11.454 689 3HG1 VAL 89 3HG1 VAL 89 12.951 2.769 -12.920 690 1HG2 VAL 89 1HG2 VAL 89 11.147 4.598 -14.408 691 2HG2 VAL 89 2HG2 VAL 89 9.755 3.829 -13.647 692 3HG2 VAL 89 3HG2 VAL 89 11.182 2.873 -14.045 693 H LYS 90 H LYS 90 8.084 3.598 -12.329 694 HA LYS 90 HA LYS 90 7.356 6.389 -12.735 695 1HB LYS 90 2HB LYS 90 7.068 4.604 -14.503 696 2HB LYS 90 1HB LYS 90 5.781 3.939 -13.508 697 1HG LYS 90 2HG LYS 90 4.595 6.105 -13.673 698 2HG LYS 90 1HG LYS 90 5.856 6.669 -14.772 699 1HD LYS 90 2HD LYS 90 4.330 4.140 -15.309 700 2HD LYS 90 1HD LYS 90 3.694 5.715 -15.788 701 1HE LYS 90 2HE LYS 90 6.321 5.749 -16.674 702 2HE LYS 90 1HE LYS 90 5.778 4.104 -17.003 703 1HZ LYS 90 1HZ LYS 90 5.389 5.910 -18.764 704 2HZ LYS 90 2HZ LYS 90 4.112 6.410 -17.775 705 3HZ LYS 90 3HZ LYS 90 4.122 4.844 -18.414 706 H ALA 91 H ALA 91 7.485 5.622 -10.057 707 HA ALA 91 HA ALA 91 4.930 6.427 -9.128 708 1HB ALA 91 1HB ALA 91 4.336 4.415 -7.864 709 2HB ALA 91 2HB ALA 91 5.696 3.558 -8.591 710 3HB ALA 91 3HB ALA 91 4.357 4.106 -9.600 711 H ILE 92 H ILE 92 8.019 4.887 -8.374 712 HA ILE 92 HA ILE 92 8.017 5.741 -5.642 713 HB ILE 92 HB ILE 92 10.151 4.772 -5.428 714 1HG1 ILE 92 2HG1 ILE 92 10.384 4.877 -8.447 715 2HG1 ILE 92 1HG1 ILE 92 11.269 5.882 -7.306 716 1HG2 ILE 92 1HG2 ILE 92 9.871 2.630 -6.967 717 2HG2 ILE 92 2HG2 ILE 92 8.276 3.332 -7.223 718 3HG2 ILE 92 3HG2 ILE 92 8.814 2.940 -5.592 719 1HD1 ILE 92 1HD1 ILE 92 12.534 4.047 -6.530 720 2HD1 ILE 92 2HD1 ILE 92 12.534 3.948 -8.291 721 3HD1 ILE 92 3HD1 ILE 92 11.486 2.888 -7.348 722 H LYS 93 H LYS 93 9.113 7.050 -8.666 723 HA LYS 93 HA LYS 93 10.894 8.994 -7.604 724 1HB LYS 93 2HB LYS 93 10.131 8.116 -10.151 725 2HB LYS 93 1HB LYS 93 9.646 9.805 -10.093 726 1HG LYS 93 2HG LYS 93 11.772 10.035 -10.862 727 2HG LYS 93 1HG LYS 93 12.075 10.120 -9.126 728 1HD LYS 93 2HD LYS 93 12.237 7.465 -9.475 729 2HD LYS 93 1HD LYS 93 12.752 8.001 -11.076 730 1HE LYS 93 2HE LYS 93 14.714 7.791 -9.756 731 2HE LYS 93 1HE LYS 93 14.394 9.516 -9.927 732 1HZ LYS 93 1HZ LYS 93 14.965 9.052 -7.670 733 2HZ LYS 93 2HZ LYS 93 13.803 7.827 -7.559 734 3HZ LYS 93 3HZ LYS 93 13.320 9.439 -7.720 735 H LYS 94 H LYS 94 7.447 8.875 -8.154 736 HA LYS 94 HA LYS 94 6.894 11.628 -7.978 737 1HB LYS 94 2HB LYS 94 5.386 9.612 -8.666 738 2HB LYS 94 1HB LYS 94 4.978 9.579 -6.957 739 1HG LYS 94 2HG LYS 94 3.352 10.991 -7.580 740 2HG LYS 94 1HG LYS 94 4.634 12.199 -7.482 741 1HD LYS 94 2HD LYS 94 4.996 12.141 -9.821 742 2HD LYS 94 1HD LYS 94 4.023 10.680 -10.006 743 1HE LYS 94 2HE LYS 94 2.631 12.973 -8.801 744 2HE LYS 94 1HE LYS 94 3.126 13.195 -10.479 745 1HZ LYS 94 1HZ LYS 94 2.062 10.753 -10.580 746 2HZ LYS 94 2HZ LYS 94 1.186 12.166 -10.884 747 3HZ LYS 94 3HZ LYS 94 1.110 11.435 -9.359 748 H GLY 95 H GLY 95 7.494 9.186 -5.564 749 1HA GLY 95 2HA GLY 95 8.401 10.511 -3.503 750 2HA GLY 95 1HA GLY 95 6.728 11.037 -3.420 751 H ALA 96 H ALA 96 7.583 7.789 -4.426 752 HA ALA 96 HA ALA 96 6.138 6.748 -2.124 753 1HB ALA 96 1HB ALA 96 5.548 5.050 -3.451 754 2HB ALA 96 2HB ALA 96 7.214 4.755 -3.949 755 3HB ALA 96 3HB ALA 96 6.249 5.979 -4.775 756 H TYR 97 H TYR 97 7.140 4.475 -1.391 757 HA TYR 97 HA TYR 97 9.817 5.141 -0.420 758 1HB TYR 97 2HB TYR 97 7.956 4.540 1.163 759 2HB TYR 97 1HB TYR 97 8.011 2.910 0.506 760 HD1 TYR 97 1HD TYR 97 9.549 1.341 1.338 761 HD2 TYR 97 2HD TYR 97 10.065 5.463 2.258 762 HE1 TYR 97 1HE TYR 97 11.322 0.757 2.938 763 HE2 TYR 97 2HE TYR 97 11.839 4.890 3.860 764 HH TYR 97 HH TYR 97 12.289 2.076 5.178 765 H GLU 98 H GLU 98 9.299 4.141 -3.114 766 HA GLU 98 HA GLU 98 10.579 2.934 -4.579 767 1HB GLU 98 2HB GLU 98 12.442 1.810 -3.934 768 2HB GLU 98 1HB GLU 98 12.157 2.689 -2.443 769 1HG GLU 98 2HG GLU 98 10.720 0.481 -1.929 770 2HG GLU 98 1HG GLU 98 11.920 -0.197 -3.029 771 H PHE 99 H PHE 99 10.592 0.755 -5.530 772 HA PHE 99 HA PHE 99 8.028 -0.539 -5.026 773 1HB PHE 99 2HB PHE 99 9.576 0.037 -7.340 774 2HB PHE 99 1HB PHE 99 9.431 -1.712 -7.224 775 HD1 PHE 99 1HD PHE 99 7.773 -2.536 -8.562 776 HD2 PHE 99 2HD PHE 99 7.150 1.175 -6.574 777 HE1 PHE 99 1HE PHE 99 5.514 -2.404 -9.530 778 HE2 PHE 99 2HE PHE 99 4.891 1.315 -7.539 779 HZ PHE 99 HZ PHE 99 4.070 -0.475 -9.017 780 H LEU 100 H LEU 100 8.313 -1.877 -3.296 781 HA LEU 100 HA LEU 100 10.541 -3.404 -2.675 782 1HB LEU 100 2HB LEU 100 8.439 -2.904 -1.312 783 2HB LEU 100 1HB LEU 100 7.711 -4.260 -2.146 784 HG LEU 100 HG LEU 100 9.439 -5.747 -1.224 785 1HD1 LEU 100 1HD1 LEU 100 10.859 -4.884 0.618 786 2HD1 LEU 100 2HD1 LEU 100 10.348 -3.249 0.198 787 3HD1 LEU 100 3HD1 LEU 100 11.270 -4.209 -0.960 788 1HD2 LEU 100 1HD2 LEU 100 8.336 -4.278 1.109 789 2HD2 LEU 100 2HD2 LEU 100 8.358 -6.009 0.768 790 3HD2 LEU 100 3HD2 LEU 100 7.214 -4.958 -0.069 791 H GLU 101 H GLU 101 10.786 -5.763 -2.762 792 HA GLU 101 HA GLU 101 9.967 -6.788 -5.387 793 1HB GLU 101 2HB GLU 101 12.216 -7.521 -3.517 794 2HB GLU 101 1HB GLU 101 11.774 -8.528 -4.890 795 1HG GLU 101 2HG GLU 101 13.239 -7.312 -6.036 796 2HG GLU 101 1HG GLU 101 12.005 -6.053 -6.030 797 H LYS 102 H LYS 102 9.968 -7.542 -1.958 798 HA LYS 102 HA LYS 102 9.148 -9.363 -0.799 799 1HB LYS 102 2HB LYS 102 6.659 -9.407 -0.955 800 2HB LYS 102 1HB LYS 102 7.345 -7.813 -0.693 801 1HG LYS 102 2HG LYS 102 5.967 -7.183 -2.327 802 2HG LYS 102 1HG LYS 102 7.166 -7.886 -3.408 803 1HD LYS 102 2HD LYS 102 5.440 -9.954 -2.439 804 2HD LYS 102 1HD LYS 102 4.464 -8.631 -3.080 805 1HE LYS 102 2HE LYS 102 6.783 -9.818 -4.583 806 2HE LYS 102 1HE LYS 102 5.139 -10.440 -4.724 807 1HZ LYS 102 1HZ LYS 102 4.617 -7.942 -5.206 808 2HZ LYS 102 2HZ LYS 102 5.191 -8.952 -6.436 809 3HZ LYS 102 3HZ LYS 102 6.248 -7.888 -5.651 810 HA PRO 103 HA PRO 103 8.924 -12.421 -4.326 811 1HB PRO 103 2HB PRO 103 11.386 -13.455 -4.247 812 2HB PRO 103 1HB PRO 103 11.061 -11.936 -5.092 813 1HG PRO 103 2HG PRO 103 12.251 -12.380 -2.382 814 2HG PRO 103 1HG PRO 103 12.737 -11.232 -3.642 815 1HD PRO 103 2HD PRO 103 11.177 -10.585 -1.461 816 2HD PRO 103 1HD PRO 103 11.188 -9.687 -2.989 817 H PHE 104 H PHE 104 7.832 -12.735 -1.794 818 HA PHE 104 HA PHE 104 7.995 -15.515 -1.415 819 1HB PHE 104 2HB PHE 104 9.816 -13.862 0.213 820 2HB PHE 104 1HB PHE 104 8.860 -15.028 1.120 821 HD1 PHE 104 1HD PHE 104 11.944 -14.617 -0.136 822 HD2 PHE 104 2HD PHE 104 8.711 -17.368 -0.432 823 HE1 PHE 104 1HE PHE 104 13.520 -16.395 -0.774 824 HE2 PHE 104 2HE PHE 104 10.282 -19.153 -1.069 825 HZ PHE 104 HZ PHE 104 12.689 -18.667 -1.240 826 H SER 105 H SER 105 5.939 -13.643 -1.751 827 HA SER 105 HA SER 105 3.825 -13.269 -0.989 828 1HB SER 105 2HB SER 105 4.160 -14.683 1.587 829 2HB SER 105 1HB SER 105 2.902 -14.845 0.364 830 HG SER 105 HG SER 105 4.084 -16.297 -0.694 831 H VAL 106 H VAL 106 4.958 -11.113 -0.740 832 HA VAL 106 HA VAL 106 5.523 -9.230 0.426 833 HB VAL 106 HB VAL 106 3.742 -8.286 1.620 834 1HG1 VAL 106 1HG1 VAL 106 2.764 -10.284 -0.397 835 2HG1 VAL 106 2HG1 VAL 106 3.077 -8.562 -0.614 836 3HG1 VAL 106 3HG1 VAL 106 1.696 -9.094 0.347 837 1HG2 VAL 106 1HG2 VAL 106 1.937 -10.430 2.109 838 2HG2 VAL 106 2HG2 VAL 106 2.691 -9.335 3.266 839 3HG2 VAL 106 3HG2 VAL 106 3.496 -10.836 2.822 840 H GLU 107 H GLU 107 6.729 -11.719 1.569 841 HA GLU 107 HA GLU 107 6.718 -11.536 4.388 842 1HB GLU 107 2HB GLU 107 7.616 -13.399 2.751 843 2HB GLU 107 1HB GLU 107 9.126 -12.515 2.927 844 1HG GLU 107 2HG GLU 107 8.297 -12.757 5.514 845 2HG GLU 107 1HG GLU 107 7.742 -14.270 4.799 846 H ARG 108 H ARG 108 9.029 -10.367 1.943 847 HA ARG 108 HA ARG 108 10.729 -9.009 3.723 848 1HB ARG 108 2HB ARG 108 10.267 -9.044 0.809 849 2HB ARG 108 1HB ARG 108 10.935 -7.540 1.428 850 1HG ARG 108 2HG ARG 108 12.776 -8.856 0.805 851 2HG ARG 108 1HG ARG 108 12.702 -8.944 2.565 852 1HD ARG 108 2HD ARG 108 11.660 -11.113 2.458 853 2HD ARG 108 1HD ARG 108 11.545 -11.013 0.702 854 HE ARG 108 HE ARG 108 14.199 -10.767 1.164 855 1HH1 ARG 108 1HH1 ARG 108 11.804 -13.094 2.177 856 2HH1 ARG 108 2HH1 ARG 108 12.933 -14.405 2.261 857 1HH2 ARG 108 1HH2 ARG 108 15.685 -12.490 1.276 858 2HH2 ARG 108 2HH2 ARG 108 15.135 -14.062 1.751 859 H PHE 109 H PHE 109 7.728 -8.151 2.162 860 HA PHE 109 HA PHE 109 7.698 -5.390 2.652 861 1HB PHE 109 2HB PHE 109 6.039 -6.139 1.183 862 2HB PHE 109 1HB PHE 109 5.591 -7.487 2.215 863 HD1 PHE 109 1HD PHE 109 5.298 -3.844 1.756 864 HD2 PHE 109 2HD PHE 109 3.880 -7.273 3.839 865 HE1 PHE 109 1HE PHE 109 3.406 -2.532 2.619 866 HE2 PHE 109 2HE PHE 109 1.984 -5.967 4.703 867 HZ PHE 109 HZ PHE 109 1.744 -3.593 4.094 868 H LEU 110 H LEU 110 6.992 -8.163 4.652 869 HA LEU 110 HA LEU 110 5.732 -6.851 6.801 870 1HB LEU 110 2HB LEU 110 6.316 -9.427 6.158 871 2HB LEU 110 1HB LEU 110 7.413 -9.132 7.493 872 HG LEU 110 HG LEU 110 4.426 -8.719 7.590 873 1HD1 LEU 110 1HD1 LEU 110 4.471 -10.700 9.067 874 2HD1 LEU 110 2HD1 LEU 110 6.166 -10.937 8.639 875 3HD1 LEU 110 3HD1 LEU 110 4.918 -11.056 7.399 876 1HD2 LEU 110 1HD2 LEU 110 6.556 -7.802 9.268 877 2HD2 LEU 110 2HD2 LEU 110 5.572 -8.971 10.151 878 3HD2 LEU 110 3HD2 LEU 110 4.819 -7.547 9.434 879 H LEU 111 H LEU 111 9.116 -7.662 6.167 880 HA LEU 111 HA LEU 111 10.150 -6.681 8.602 881 1HB LEU 111 2HB LEU 111 11.426 -7.137 5.918 882 2HB LEU 111 1HB LEU 111 12.328 -6.626 7.332 883 HG LEU 111 HG LEU 111 11.034 -8.826 8.296 884 1HD1 LEU 111 1HD1 LEU 111 10.443 -9.062 5.695 885 2HD1 LEU 111 2HD1 LEU 111 10.697 -10.444 6.759 886 3HD1 LEU 111 3HD1 LEU 111 12.004 -9.882 5.717 887 1HD2 LEU 111 1HD2 LEU 111 13.550 -8.026 8.148 888 2HD2 LEU 111 2HD2 LEU 111 13.614 -9.260 6.891 889 3HD2 LEU 111 3HD2 LEU 111 13.129 -9.694 8.530 890 H THR 112 H THR 112 9.882 -5.198 5.381 891 HA THR 112 HA THR 112 11.089 -2.742 6.130 892 HB THR 112 HB THR 112 9.175 -3.339 3.863 893 HG1 THR 112 1HG THR 112 12.008 -3.242 3.881 894 1HG2 THR 112 1HG2 THR 112 9.886 -1.393 2.784 895 2HG2 THR 112 2HG2 THR 112 11.202 -1.135 3.930 896 3HG2 THR 112 3HG2 THR 112 9.529 -0.895 4.437 897 H ILE 113 H ILE 113 7.752 -3.874 5.961 898 HA ILE 113 HA ILE 113 6.323 -1.581 6.362 899 HB ILE 113 HB ILE 113 5.912 -4.414 7.126 900 1HG1 ILE 113 2HG1 ILE 113 5.279 -3.430 4.924 901 2HG1 ILE 113 1HG1 ILE 113 3.928 -4.168 5.779 902 1HG2 ILE 113 1HG2 ILE 113 4.425 -2.154 8.417 903 2HG2 ILE 113 2HG2 ILE 113 5.129 -3.590 9.162 904 3HG2 ILE 113 3HG2 ILE 113 3.677 -3.733 8.172 905 1HD1 ILE 113 1HD1 ILE 113 4.391 -1.261 6.145 906 2HD1 ILE 113 2HD1 ILE 113 2.886 -2.177 6.129 907 3HD1 ILE 113 3HD1 ILE 113 3.716 -1.819 4.615 908 H LYS 114 H LYS 114 7.699 -3.626 8.938 909 HA LYS 114 HA LYS 114 6.917 -2.243 11.160 910 1HB LYS 114 2HB LYS 114 8.342 -4.364 10.988 911 2HB LYS 114 1HB LYS 114 9.723 -3.283 10.879 912 1HG LYS 114 2HG LYS 114 7.781 -3.029 13.136 913 2HG LYS 114 1HG LYS 114 9.046 -4.258 13.175 914 1HD LYS 114 2HD LYS 114 9.458 -1.282 12.875 915 2HD LYS 114 1HD LYS 114 9.770 -2.236 14.324 916 1HE LYS 114 2HE LYS 114 11.231 -3.601 12.505 917 2HE LYS 114 1HE LYS 114 11.346 -1.968 11.851 918 1HZ LYS 114 1HZ LYS 114 12.470 -1.215 13.679 919 2HZ LYS 114 2HZ LYS 114 13.047 -2.804 13.612 920 3HZ LYS 114 3HZ LYS 114 11.834 -2.391 14.715 921 H HIS 115 H HIS 115 9.881 -1.665 9.279 922 HA HIS 115 HA HIS 115 10.784 0.571 10.669 923 1HB HIS 115 2HB HIS 115 11.110 -0.210 7.773 924 2HB HIS 115 1HB HIS 115 11.964 1.139 8.515 925 HD1 HIS 115 1HD HIS 115 13.497 0.398 10.667 926 HD2 HIS 115 2HD HIS 115 12.405 -2.581 7.983 927 HE1 HIS 115 1HE HIS 115 15.094 -1.500 11.083 928 HE2 HIS 115 2HE HIS 115 14.364 -3.321 9.501 929 H ALA 116 H ALA 116 8.496 0.307 7.994 930 HA ALA 116 HA ALA 116 8.183 2.988 7.340 931 1HB ALA 116 1HB ALA 116 5.728 1.343 7.385 932 2HB ALA 116 2HB ALA 116 7.080 0.718 6.442 933 3HB ALA 116 3HB ALA 116 6.422 2.315 6.088 934 H PHE 117 H PHE 117 6.966 1.171 10.061 935 HA PHE 117 HA PHE 117 5.242 3.344 10.928 936 1HB PHE 117 2HB PHE 117 5.759 0.551 11.925 937 2HB PHE 117 1HB PHE 117 4.829 1.711 12.869 938 HD1 PHE 117 1HD PHE 117 2.874 2.867 11.598 939 HD2 PHE 117 2HD PHE 117 4.658 -0.810 10.418 940 HE1 PHE 117 1HE PHE 117 0.846 2.294 10.339 941 HE2 PHE 117 2HE PHE 117 2.627 -1.391 9.152 942 HZ PHE 117 HZ PHE 117 0.718 0.171 9.112 943 H GLU 118 H GLU 118 7.939 1.466 12.320 944 HA GLU 118 HA GLU 118 8.307 3.133 14.554 945 1HB GLU 118 2HB GLU 118 10.080 1.142 13.178 946 2HB GLU 118 1HB GLU 118 10.627 2.048 14.580 947 1HG GLU 118 2HG GLU 118 8.234 1.097 15.449 948 2HG GLU 118 1HG GLU 118 8.777 -0.210 14.399 949 H GLU 119 H GLU 119 10.093 2.998 11.472 950 HA GLU 119 HA GLU 119 11.748 5.223 12.138 951 1HB GLU 119 2HB GLU 119 11.214 4.072 9.400 952 2HB GLU 119 1HB GLU 119 12.580 5.070 9.876 953 1HG GLU 119 2HG GLU 119 12.744 2.994 11.643 954 2HG GLU 119 1HG GLU 119 12.150 2.203 10.184 955 H TYR 120 H TYR 120 8.532 5.090 11.298 956 HA TYR 120 HA TYR 120 8.605 7.884 10.388 957 1HB TYR 120 2HB TYR 120 7.859 5.778 8.774 958 2HB TYR 120 1HB TYR 120 6.314 6.355 9.391 959 HD1 TYR 120 1HD TYR 120 5.674 8.756 9.021 960 HD2 TYR 120 2HD TYR 120 9.043 6.984 7.120 961 HE1 TYR 120 1HE TYR 120 5.692 10.576 7.366 962 HE2 TYR 120 2HE TYR 120 9.069 8.799 5.461 963 HH TYR 120 HH TYR 120 6.539 10.860 4.951 964 H SER 121 H SER 121 8.349 7.234 13.029 965 HA SER 121 HA SER 121 5.478 7.610 13.574 966 1HB SER 121 2HB SER 121 5.834 6.641 15.754 967 2HB SER 121 1HB SER 121 6.544 5.558 14.556 968 HG SER 121 HG SER 121 8.573 6.360 15.084 Start of MODEL 34 1 1H MET 1 1HT MET 1 1.095 0.531 18.386 2 2H MET 1 2HT MET 1 0.071 -0.535 17.516 3 3H MET 1 3HT MET 1 -0.544 0.348 18.853 4 HA MET 1 HA MET 1 -1.333 1.467 17.045 5 1HB MET 1 2HB MET 1 0.303 2.642 18.841 6 2HB MET 1 1HB MET 1 1.150 3.058 17.358 7 1HG MET 1 2HG MET 1 -0.315 4.643 16.873 8 2HG MET 1 1HG MET 1 -1.672 3.538 17.082 9 1HE MET 1 1HE MET 1 -2.537 2.833 19.469 10 2HE MET 1 2HE MET 1 -2.329 3.795 20.932 11 3HE MET 1 3HE MET 1 -1.006 2.788 20.343 12 H LYS 2 H LYS 2 -1.072 0.017 15.236 13 HA LYS 2 HA LYS 2 0.662 1.131 13.217 14 1HB LYS 2 2HB LYS 2 1.399 -1.254 14.622 15 2HB LYS 2 1HB LYS 2 1.104 -1.625 12.930 16 1HG LYS 2 2HG LYS 2 3.239 -1.023 12.658 17 2HG LYS 2 1HG LYS 2 2.603 0.621 12.715 18 1HD LYS 2 2HD LYS 2 3.364 0.988 14.843 19 2HD LYS 2 1HD LYS 2 3.273 -0.718 15.285 20 1HE LYS 2 2HE LYS 2 5.356 0.632 13.579 21 2HE LYS 2 1HE LYS 2 5.581 -0.108 15.163 22 1HZ LYS 2 1HZ LYS 2 4.713 -2.212 13.926 23 2HZ LYS 2 2HZ LYS 2 6.335 -1.753 13.790 24 3HZ LYS 2 3HZ LYS 2 5.247 -1.392 12.546 25 H ARG 3 H ARG 3 -0.360 1.152 11.321 26 HA ARG 3 HA ARG 3 -2.301 -0.933 10.682 27 1HB ARG 3 2HB ARG 3 -3.098 1.926 10.247 28 2HB ARG 3 1HB ARG 3 -4.113 0.493 10.315 29 1HG ARG 3 2HG ARG 3 -4.610 1.499 12.313 30 2HG ARG 3 1HG ARG 3 -3.322 0.394 12.799 31 1HD ARG 3 2HD ARG 3 -1.861 2.068 13.215 32 2HD ARG 3 1HD ARG 3 -2.462 3.066 11.892 33 HE ARG 3 HE ARG 3 -4.284 2.845 14.108 34 1HH1 ARG 3 1HH1 ARG 3 -1.572 4.603 12.789 35 2HH1 ARG 3 2HH1 ARG 3 -1.904 6.041 13.694 36 1HH2 ARG 3 1HH2 ARG 3 -4.720 4.736 15.301 37 2HH2 ARG 3 2HH2 ARG 3 -3.689 6.116 15.121 38 H VAL 4 H VAL 4 -2.334 -1.441 8.548 39 HA VAL 4 HA VAL 4 -0.934 0.364 6.693 40 HB VAL 4 HB VAL 4 -0.703 -2.647 6.654 41 1HG1 VAL 4 1HG1 VAL 4 0.161 -0.472 4.857 42 2HG1 VAL 4 2HG1 VAL 4 -0.231 -2.154 4.499 43 3HG1 VAL 4 3HG1 VAL 4 1.346 -1.740 5.171 44 1HG2 VAL 4 1HG2 VAL 4 1.720 -2.108 7.274 45 2HG2 VAL 4 2HG2 VAL 4 0.514 -1.983 8.554 46 3HG2 VAL 4 3HG2 VAL 4 1.116 -0.526 7.766 47 H LEU 5 H LEU 5 -1.643 0.320 4.517 48 HA LEU 5 HA LEU 5 -4.321 -0.860 4.175 49 1HB LEU 5 2HB LEU 5 -4.330 1.579 4.205 50 2HB LEU 5 1HB LEU 5 -3.142 1.613 2.918 51 HG LEU 5 HG LEU 5 -4.878 0.385 1.495 52 1HD1 LEU 5 1HD1 LEU 5 -7.211 1.353 2.551 53 2HD1 LEU 5 2HD1 LEU 5 -6.358 0.771 3.979 54 3HD1 LEU 5 3HD1 LEU 5 -6.667 -0.322 2.630 55 1HD2 LEU 5 1HD2 LEU 5 -6.250 2.759 1.564 56 2HD2 LEU 5 2HD2 LEU 5 -4.767 2.456 0.660 57 3HD2 LEU 5 3HD2 LEU 5 -4.688 3.195 2.259 58 H VAL 6 H VAL 6 -4.830 -1.951 2.332 59 HA VAL 6 HA VAL 6 -2.606 -2.527 0.483 60 HB VAL 6 HB VAL 6 -4.914 -4.361 1.119 61 1HG1 VAL 6 1HG1 VAL 6 -3.769 -4.610 -1.090 62 2HG1 VAL 6 2HG1 VAL 6 -3.690 -6.037 -0.056 63 3HG1 VAL 6 3HG1 VAL 6 -2.285 -4.982 -0.213 64 1HG2 VAL 6 1HG2 VAL 6 -3.409 -5.634 2.515 65 2HG2 VAL 6 2HG2 VAL 6 -3.503 -3.974 3.103 66 3HG2 VAL 6 3HG2 VAL 6 -2.097 -4.503 2.181 67 H VAL 7 H VAL 7 -3.012 -2.579 -1.704 68 HA VAL 7 HA VAL 7 -5.733 -1.931 -2.598 69 HB VAL 7 HB VAL 7 -3.275 -0.624 -3.766 70 1HG1 VAL 7 1HG1 VAL 7 -6.222 -0.117 -4.118 71 2HG1 VAL 7 2HG1 VAL 7 -5.110 -0.784 -5.313 72 3HG1 VAL 7 3HG1 VAL 7 -4.937 0.890 -4.785 73 1HG2 VAL 7 1HG2 VAL 7 -5.272 0.640 -1.897 74 2HG2 VAL 7 2HG2 VAL 7 -3.818 1.377 -2.570 75 3HG2 VAL 7 3HG2 VAL 7 -3.681 0.064 -1.402 76 H ASP 8 H ASP 8 -6.398 -3.420 -4.016 77 HA ASP 8 HA ASP 8 -4.609 -4.348 -6.094 78 1HB ASP 8 2HB ASP 8 -3.980 -5.925 -4.420 79 2HB ASP 8 1HB ASP 8 -5.650 -6.183 -3.930 80 H ASP 9 H ASP 9 -5.773 -5.767 -7.659 81 HA ASP 9 HA ASP 9 -8.452 -4.744 -8.051 82 1HB ASP 9 2HB ASP 9 -6.885 -4.755 -9.934 83 2HB ASP 9 1HB ASP 9 -6.733 -6.505 -9.816 84 H GLU 10 H GLU 10 -8.541 -6.307 -5.879 85 HA GLU 10 HA GLU 10 -9.937 -8.716 -6.830 86 1HB GLU 10 2HB GLU 10 -7.833 -8.437 -4.777 87 2HB GLU 10 1HB GLU 10 -9.208 -9.428 -4.310 88 1HG GLU 10 2HG GLU 10 -7.888 -9.900 -6.940 89 2HG GLU 10 1HG GLU 10 -7.133 -10.498 -5.463 90 H GLU 11 H GLU 11 -11.160 -9.587 -4.622 91 HA GLU 11 HA GLU 11 -13.047 -7.439 -4.066 92 1HB GLU 11 2HB GLU 11 -13.129 -10.391 -4.055 93 2HB GLU 11 1HB GLU 11 -14.098 -9.607 -2.816 94 1HG GLU 11 2HG GLU 11 -14.432 -8.393 -5.433 95 2HG GLU 11 1HG GLU 11 -14.860 -10.103 -5.409 96 H SER 12 H SER 12 -12.081 -10.107 -1.938 97 HA SER 12 HA SER 12 -11.923 -8.216 0.281 98 1HB SER 12 2HB SER 12 -11.550 -10.576 1.491 99 2HB SER 12 1HB SER 12 -13.156 -9.980 1.071 100 HG SER 12 HG SER 12 -12.624 -12.195 0.405 101 H ILE 13 H ILE 13 -10.191 -8.961 1.994 102 HA ILE 13 HA ILE 13 -7.770 -8.079 1.477 103 HB ILE 13 HB ILE 13 -7.825 -10.697 2.918 104 1HG1 ILE 13 2HG1 ILE 13 -9.790 -9.617 3.776 105 2HG1 ILE 13 1HG1 ILE 13 -8.513 -9.407 4.969 106 1HG2 ILE 13 1HG2 ILE 13 -5.679 -9.762 2.805 107 2HG2 ILE 13 2HG2 ILE 13 -6.269 -9.393 4.426 108 3HG2 ILE 13 3HG2 ILE 13 -6.274 -8.145 3.180 109 1HD1 ILE 13 1HD1 ILE 13 -8.238 -7.144 4.429 110 2HD1 ILE 13 2HD1 ILE 13 -9.981 -7.407 4.485 111 3HD1 ILE 13 3HD1 ILE 13 -9.154 -7.305 2.931 112 H THR 14 H THR 14 -5.691 -8.912 1.004 113 HA THR 14 HA THR 14 -5.725 -10.756 -1.247 114 HB THR 14 HB THR 14 -3.601 -9.902 -1.831 115 HG1 THR 14 1HG THR 14 -3.405 -8.703 0.726 116 1HG2 THR 14 1HG2 THR 14 -3.751 -7.420 -1.584 117 2HG2 THR 14 2HG2 THR 14 -5.194 -7.672 -0.600 118 3HG2 THR 14 3HG2 THR 14 -5.175 -8.188 -2.286 119 H SER 15 H SER 15 -5.128 -12.823 -1.083 120 HA SER 15 HA SER 15 -4.699 -14.182 1.239 121 1HB SER 15 2HB SER 15 -4.895 -14.932 -1.336 122 2HB SER 15 1HB SER 15 -3.169 -15.196 -1.092 123 HG SER 15 HG SER 15 -5.218 -16.237 0.573 124 H SER 16 H SER 16 -2.993 -14.830 2.478 125 HA SER 16 HA SER 16 -0.821 -15.052 3.210 126 1HB SER 16 2HB SER 16 0.235 -13.116 1.180 127 2HB SER 16 1HB SER 16 1.031 -14.503 1.924 128 HG SER 16 HG SER 16 0.523 -15.384 0.066 129 H LEU 17 H LEU 17 -2.045 -11.868 2.285 130 HA LEU 17 HA LEU 17 -0.449 -10.434 4.162 131 1HB LEU 17 2HB LEU 17 -2.465 -9.843 2.175 132 2HB LEU 17 1HB LEU 17 -2.786 -8.952 3.645 133 HG LEU 17 HG LEU 17 -1.070 -8.225 1.573 134 1HD1 LEU 17 1HD1 LEU 17 -1.067 -6.232 2.631 135 2HD1 LEU 17 2HD1 LEU 17 -0.708 -6.939 4.206 136 3HD1 LEU 17 3HD1 LEU 17 -2.350 -7.002 3.565 137 1HD2 LEU 17 1HD2 LEU 17 1.128 -8.124 2.442 138 2HD2 LEU 17 2HD2 LEU 17 0.602 -9.800 2.598 139 3HD2 LEU 17 3HD2 LEU 17 0.613 -8.743 4.011 140 H SER 18 H SER 18 -3.826 -11.526 4.151 141 HA SER 18 HA SER 18 -4.671 -10.500 6.562 142 1HB SER 18 2HB SER 18 -6.086 -12.707 6.639 143 2HB SER 18 1HB SER 18 -6.356 -11.539 5.345 144 HG SER 18 HG SER 18 -6.152 -13.690 4.565 145 H ALA 19 H ALA 19 -3.536 -13.863 6.156 146 HA ALA 19 HA ALA 19 -3.335 -14.559 8.805 147 1HB ALA 19 1HB ALA 19 -2.904 -15.913 6.608 148 2HB ALA 19 2HB ALA 19 -2.151 -16.407 8.125 149 3HB ALA 19 3HB ALA 19 -1.219 -15.505 6.930 150 H ILE 20 H ILE 20 -0.925 -12.881 6.827 151 HA ILE 20 HA ILE 20 1.141 -12.861 8.740 152 HB ILE 20 HB ILE 20 0.560 -11.081 6.379 153 1HG1 ILE 20 2HG1 ILE 20 2.817 -13.027 6.817 154 2HG1 ILE 20 1HG1 ILE 20 1.279 -13.495 6.102 155 1HG2 ILE 20 1HG2 ILE 20 2.633 -10.787 8.481 156 2HG2 ILE 20 2HG2 ILE 20 1.810 -9.558 7.521 157 3HG2 ILE 20 3HG2 ILE 20 3.114 -10.507 6.808 158 1HD1 ILE 20 1HD1 ILE 20 3.539 -12.363 4.843 159 2HD1 ILE 20 2HD1 ILE 20 2.219 -11.198 4.736 160 3HD1 ILE 20 3HD1 ILE 20 2.002 -12.838 4.125 161 H LEU 21 H LEU 21 -0.781 -10.028 7.726 162 HA LEU 21 HA LEU 21 -0.121 -8.346 9.789 163 1HB LEU 21 2HB LEU 21 -2.839 -8.559 8.504 164 2HB LEU 21 1HB LEU 21 -2.175 -7.149 9.312 165 HG LEU 21 HG LEU 21 -0.450 -8.097 7.171 166 1HD1 LEU 21 1HD1 LEU 21 -1.845 -8.334 5.474 167 2HD1 LEU 21 2HD1 LEU 21 -2.617 -6.790 5.835 168 3HD1 LEU 21 3HD1 LEU 21 -3.191 -8.266 6.610 169 1HD2 LEU 21 1HD2 LEU 21 -1.584 -5.565 8.205 170 2HD2 LEU 21 2HD2 LEU 21 -1.038 -5.590 6.529 171 3HD2 LEU 21 3HD2 LEU 21 0.084 -5.994 7.828 172 H GLU 22 H GLU 22 -2.372 -11.017 9.807 173 HA GLU 22 HA GLU 22 -3.659 -10.376 12.254 174 1HB GLU 22 2HB GLU 22 -4.335 -12.029 10.344 175 2HB GLU 22 1HB GLU 22 -3.391 -13.182 11.276 176 1HG GLU 22 2HG GLU 22 -5.066 -11.867 13.100 177 2HG GLU 22 1HG GLU 22 -6.058 -12.258 11.695 178 H GLU 23 H GLU 23 -0.710 -12.036 11.405 179 HA GLU 23 HA GLU 23 -0.341 -13.185 14.024 180 1HB GLU 23 2HB GLU 23 0.606 -14.451 12.279 181 2HB GLU 23 1HB GLU 23 1.317 -13.036 11.518 182 1HG GLU 23 2HG GLU 23 3.185 -13.194 12.710 183 2HG GLU 23 1HG GLU 23 2.311 -13.496 14.210 184 H GLU 24 H GLU 24 0.714 -10.365 12.239 185 HA GLU 24 HA GLU 24 2.656 -9.552 14.181 186 1HB GLU 24 2HB GLU 24 1.403 -8.094 11.856 187 2HB GLU 24 1HB GLU 24 2.684 -7.428 12.859 188 1HG GLU 24 2HG GLU 24 2.836 -9.851 11.085 189 2HG GLU 24 1HG GLU 24 3.645 -8.302 10.855 190 H GLY 25 H GLY 25 -0.691 -8.730 13.448 191 1HA GLY 25 2HA GLY 25 -2.242 -8.017 15.086 192 2HA GLY 25 1HA GLY 25 -0.898 -7.477 16.079 193 H TYR 26 H TYR 26 -1.610 -6.791 12.686 194 HA TYR 26 HA TYR 26 -1.471 -3.924 13.296 195 1HB TYR 26 2HB TYR 26 -1.024 -5.549 10.812 196 2HB TYR 26 1HB TYR 26 -1.356 -3.828 10.698 197 HD1 TYR 26 1HD TYR 26 0.487 -2.511 10.425 198 HD2 TYR 26 2HD TYR 26 0.853 -6.046 12.759 199 HE1 TYR 26 1HE TYR 26 2.867 -2.020 10.777 200 HE2 TYR 26 2HE TYR 26 3.236 -5.563 13.121 201 HH TYR 26 HH TYR 26 5.007 -3.587 11.345 202 H HIS 27 H HIS 27 -2.743 -2.743 11.344 203 HA HIS 27 HA HIS 27 -5.514 -3.733 11.431 204 1HB HIS 27 2HB HIS 27 -4.477 -1.274 12.392 205 2HB HIS 27 1HB HIS 27 -5.385 -0.897 10.932 206 HD1 HIS 27 1HD HIS 27 -7.930 -1.156 11.020 207 HD2 HIS 27 2HD HIS 27 -6.018 -2.280 14.534 208 HE1 HIS 27 1HE HIS 27 -9.758 -1.415 12.727 209 HE2 HIS 27 2HE HIS 27 -8.568 -2.006 14.868 210 HA PRO 28 HA PRO 28 -4.177 -3.432 7.057 211 1HB PRO 28 2HB PRO 28 -4.826 -5.908 6.290 212 2HB PRO 28 1HB PRO 28 -3.345 -5.573 7.193 213 1HG PRO 28 2HG PRO 28 -5.929 -6.715 8.149 214 2HG PRO 28 1HG PRO 28 -4.273 -7.142 8.612 215 1HD PRO 28 2HD PRO 28 -5.976 -5.486 10.059 216 2HD PRO 28 1HD PRO 28 -4.213 -5.544 10.236 217 H ASP 29 H ASP 29 -5.404 -2.601 5.545 218 HA ASP 29 HA ASP 29 -8.215 -3.423 5.318 219 1HB ASP 29 2HB ASP 29 -8.144 -1.211 6.401 220 2HB ASP 29 1HB ASP 29 -7.143 -0.598 5.090 221 H THR 30 H THR 30 -8.784 -3.940 3.239 222 HA THR 30 HA THR 30 -6.811 -3.268 1.157 223 HB THR 30 HB THR 30 -7.164 -5.382 0.127 224 HG1 THR 30 1HG THR 30 -9.333 -5.601 1.920 225 1HG2 THR 30 1HG2 THR 30 -6.083 -6.704 1.575 226 2HG2 THR 30 2HG2 THR 30 -7.245 -6.420 2.870 227 3HG2 THR 30 3HG2 THR 30 -5.990 -5.229 2.537 228 H ALA 31 H ALA 31 -7.487 -2.519 -0.760 229 HA ALA 31 HA ALA 31 -10.372 -2.007 -1.055 230 1HB ALA 31 1HB ALA 31 -9.918 0.087 -1.714 231 2HB ALA 31 2HB ALA 31 -8.583 -0.429 -2.744 232 3HB ALA 31 3HB ALA 31 -8.321 -0.184 -1.017 233 H LYS 32 H LYS 32 -10.366 -1.294 -3.749 234 HA LYS 32 HA LYS 32 -9.589 -3.831 -5.028 235 1HB LYS 32 2HB LYS 32 -11.833 -2.158 -6.089 236 2HB LYS 32 1HB LYS 32 -11.563 -3.888 -6.249 237 1HG LYS 32 2HG LYS 32 -12.224 -4.261 -3.974 238 2HG LYS 32 1HG LYS 32 -12.325 -2.524 -3.679 239 1HD LYS 32 2HD LYS 32 -14.211 -2.300 -5.091 240 2HD LYS 32 1HD LYS 32 -13.987 -3.915 -5.767 241 1HE LYS 32 2HE LYS 32 -14.668 -4.954 -3.752 242 2HE LYS 32 1HE LYS 32 -14.577 -3.436 -2.857 243 1HZ LYS 32 1HZ LYS 32 -16.597 -4.281 -4.840 244 2HZ LYS 32 2HZ LYS 32 -16.379 -2.649 -4.451 245 3HZ LYS 32 3HZ LYS 32 -16.833 -3.750 -3.251 246 H THR 33 H THR 33 -9.547 -0.374 -5.204 247 HA THR 33 HA THR 33 -7.532 -0.419 -7.225 248 HB THR 33 HB THR 33 -9.902 1.182 -8.072 249 HG1 THR 33 1HG THR 33 -9.629 -1.568 -8.694 250 1HG2 THR 33 1HG2 THR 33 -7.436 0.226 -9.256 251 2HG2 THR 33 2HG2 THR 33 -8.498 1.544 -9.750 252 3HG2 THR 33 3HG2 THR 33 -8.850 -0.107 -10.256 253 H LEU 34 H LEU 34 -7.064 1.969 -7.914 254 HA LEU 34 HA LEU 34 -6.426 3.400 -5.600 255 1HB LEU 34 2HB LEU 34 -6.701 4.524 -8.388 256 2HB LEU 34 1HB LEU 34 -5.755 5.200 -7.074 257 HG LEU 34 HG LEU 34 -5.171 2.466 -8.181 258 1HD1 LEU 34 1HD1 LEU 34 -3.311 3.746 -9.425 259 2HD1 LEU 34 2HD1 LEU 34 -4.373 5.142 -9.250 260 3HD1 LEU 34 3HD1 LEU 34 -4.932 3.712 -10.119 261 1HD2 LEU 34 1HD2 LEU 34 -4.228 3.800 -5.975 262 2HD2 LEU 34 2HD2 LEU 34 -3.003 4.150 -7.195 263 3HD2 LEU 34 3HD2 LEU 34 -3.409 2.478 -6.807 264 H ARG 35 H ARG 35 -9.273 3.429 -7.598 265 HA ARG 35 HA ARG 35 -10.340 5.896 -6.670 266 1HB ARG 35 2HB ARG 35 -11.374 3.541 -8.172 267 2HB ARG 35 1HB ARG 35 -12.557 4.584 -7.394 268 1HG ARG 35 2HG ARG 35 -10.436 5.614 -9.258 269 2HG ARG 35 1HG ARG 35 -12.039 5.107 -9.795 270 1HD ARG 35 2HD ARG 35 -12.408 6.839 -7.594 271 2HD ARG 35 1HD ARG 35 -11.225 7.599 -8.657 272 HE ARG 35 HE ARG 35 -13.171 6.826 -10.364 273 1HH1 ARG 35 1HH1 ARG 35 -13.198 8.665 -7.398 274 2HH1 ARG 35 2HH1 ARG 35 -14.570 9.618 -7.854 275 1HH2 ARG 35 1HH2 ARG 35 -14.976 8.079 -10.966 276 2HH2 ARG 35 2HH2 ARG 35 -15.580 9.285 -9.879 277 H GLU 36 H GLU 36 -10.859 2.504 -5.764 278 HA GLU 36 HA GLU 36 -12.707 3.014 -3.692 279 1HB GLU 36 2HB GLU 36 -11.675 0.757 -4.909 280 2HB GLU 36 1HB GLU 36 -11.013 0.661 -3.283 281 1HG GLU 36 2HG GLU 36 -12.938 -0.369 -2.814 282 2HG GLU 36 1HG GLU 36 -13.588 1.267 -2.737 283 H ALA 37 H ALA 37 -9.197 2.907 -3.818 284 HA ALA 37 HA ALA 37 -8.719 2.901 -1.033 285 1HB ALA 37 1HB ALA 37 -6.779 4.338 -2.722 286 2HB ALA 37 2HB ALA 37 -7.137 2.682 -3.214 287 3HB ALA 37 3HB ALA 37 -6.535 3.008 -1.589 288 H GLU 38 H GLU 38 -8.743 5.591 -3.385 289 HA GLU 38 HA GLU 38 -8.291 7.683 -1.647 290 1HB GLU 38 2HB GLU 38 -10.096 7.620 -4.068 291 2HB GLU 38 1HB GLU 38 -9.572 9.089 -3.257 292 1HG GLU 38 2HG GLU 38 -7.378 8.851 -3.962 293 2HG GLU 38 1HG GLU 38 -7.569 7.130 -4.294 294 H LYS 39 H LYS 39 -11.301 5.981 -2.327 295 HA LYS 39 HA LYS 39 -13.046 7.670 -0.915 296 1HB LYS 39 2HB LYS 39 -13.877 5.929 -2.402 297 2HB LYS 39 1HB LYS 39 -13.185 4.682 -1.373 298 1HG LYS 39 2HG LYS 39 -15.090 6.543 -0.096 299 2HG LYS 39 1HG LYS 39 -15.751 5.407 -1.273 300 1HD LYS 39 2HD LYS 39 -14.672 3.557 -0.035 301 2HD LYS 39 1HD LYS 39 -14.118 4.720 1.171 302 1HE LYS 39 2HE LYS 39 -17.020 4.563 0.485 303 2HE LYS 39 1HE LYS 39 -16.313 3.362 1.563 304 1HZ LYS 39 1HZ LYS 39 -16.045 4.862 3.205 305 2HZ LYS 39 2HZ LYS 39 -17.302 5.668 2.410 306 3HZ LYS 39 3HZ LYS 39 -15.698 6.142 2.154 307 H LYS 40 H LYS 40 -11.111 4.893 0.098 308 HA LYS 40 HA LYS 40 -11.993 4.955 2.814 309 1HB LYS 40 2HB LYS 40 -9.923 3.490 1.265 310 2HB LYS 40 1HB LYS 40 -9.759 3.548 3.015 311 1HG LYS 40 2HG LYS 40 -12.418 2.809 1.981 312 2HG LYS 40 1HG LYS 40 -11.120 1.643 1.718 313 1HD LYS 40 2HD LYS 40 -10.959 1.137 3.913 314 2HD LYS 40 1HD LYS 40 -11.253 2.801 4.421 315 1HE LYS 40 2HE LYS 40 -13.647 2.502 3.911 316 2HE LYS 40 1HE LYS 40 -13.328 0.821 3.490 317 1HZ LYS 40 1HZ LYS 40 -14.097 1.560 5.898 318 2HZ LYS 40 2HZ LYS 40 -12.426 1.716 6.114 319 3HZ LYS 40 3HZ LYS 40 -13.086 0.229 5.644 320 H ILE 41 H ILE 41 -9.057 6.009 1.131 321 HA ILE 41 HA ILE 41 -7.748 7.027 3.423 322 HB ILE 41 HB ILE 41 -7.351 7.879 0.555 323 1HG1 ILE 41 2HG1 ILE 41 -5.882 5.731 2.097 324 2HG1 ILE 41 1HG1 ILE 41 -7.175 5.404 0.948 325 1HG2 ILE 41 1HG2 ILE 41 -5.949 8.443 3.087 326 2HG2 ILE 41 2HG2 ILE 41 -6.066 9.404 1.613 327 3HG2 ILE 41 3HG2 ILE 41 -4.926 8.061 1.702 328 1HD1 ILE 41 1HD1 ILE 41 -5.827 6.463 -0.819 329 2HD1 ILE 41 2HD1 ILE 41 -5.043 5.056 -0.100 330 3HD1 ILE 41 3HD1 ILE 41 -4.520 6.681 0.346 331 H LYS 42 H LYS 42 -10.332 8.245 1.526 332 HA LYS 42 HA LYS 42 -9.953 11.006 1.799 333 1HB LYS 42 2HB LYS 42 -11.972 9.273 0.837 334 2HB LYS 42 1HB LYS 42 -12.731 10.415 1.937 335 1HG LYS 42 2HG LYS 42 -10.844 11.508 -0.064 336 2HG LYS 42 1HG LYS 42 -12.401 10.917 -0.648 337 1HD LYS 42 2HD LYS 42 -13.566 12.571 0.379 338 2HD LYS 42 1HD LYS 42 -12.460 12.643 1.752 339 1HE LYS 42 2HE LYS 42 -12.003 14.646 0.732 340 2HE LYS 42 1HE LYS 42 -10.798 13.607 -0.027 341 1HZ LYS 42 1HZ LYS 42 -13.449 14.052 -1.258 342 2HZ LYS 42 2HZ LYS 42 -12.029 13.492 -1.987 343 3HZ LYS 42 3HZ LYS 42 -12.163 15.116 -1.527 344 H GLU 43 H GLU 43 -10.793 8.625 4.115 345 HA GLU 43 HA GLU 43 -11.325 10.741 6.077 346 1HB GLU 43 2HB GLU 43 -12.667 8.040 6.122 347 2HB GLU 43 1HB GLU 43 -13.015 9.424 7.149 348 1HG GLU 43 2HG GLU 43 -13.983 10.625 5.348 349 2HG GLU 43 1HG GLU 43 -13.407 9.447 4.170 350 H LEU 44 H LEU 44 -10.460 7.310 5.698 351 HA LEU 44 HA LEU 44 -9.248 7.118 8.268 352 1HB LEU 44 2HB LEU 44 -9.803 5.376 6.038 353 2HB LEU 44 1HB LEU 44 -8.168 5.115 6.616 354 HG LEU 44 HG LEU 44 -9.767 3.588 7.674 355 1HD1 LEU 44 1HD1 LEU 44 -7.952 3.893 9.053 356 2HD1 LEU 44 2HD1 LEU 44 -9.276 4.382 10.111 357 3HD1 LEU 44 3HD1 LEU 44 -8.293 5.605 9.305 358 1HD2 LEU 44 1HD2 LEU 44 -11.790 4.793 7.689 359 2HD2 LEU 44 2HD2 LEU 44 -11.070 6.149 8.556 360 3HD2 LEU 44 3HD2 LEU 44 -11.336 4.615 9.385 361 H PHE 45 H PHE 45 -7.388 8.007 8.854 362 HA PHE 45 HA PHE 45 -5.494 8.922 6.869 363 1HB PHE 45 2HB PHE 45 -6.108 10.226 8.947 364 2HB PHE 45 1HB PHE 45 -5.206 9.033 9.874 365 HD1 PHE 45 1HD PHE 45 -4.842 11.447 7.074 366 HD2 PHE 45 2HD PHE 45 -2.930 9.299 10.210 367 HE1 PHE 45 1HE PHE 45 -2.769 12.709 6.667 368 HE2 PHE 45 2HE PHE 45 -0.853 10.557 9.809 369 HZ PHE 45 HZ PHE 45 -0.770 12.264 8.036 370 H PHE 46 H PHE 46 -5.257 6.539 6.236 371 HA PHE 46 HA PHE 46 -3.893 4.698 7.823 372 1HB PHE 46 2HB PHE 46 -4.117 5.078 4.852 373 2HB PHE 46 1HB PHE 46 -3.099 3.807 5.519 374 HD1 PHE 46 1HD PHE 46 -6.420 4.785 4.633 375 HD2 PHE 46 2HD PHE 46 -4.169 2.081 7.028 376 HE1 PHE 46 1HE PHE 46 -8.383 3.313 4.810 377 HE2 PHE 46 2HE PHE 46 -6.128 0.603 7.206 378 HZ PHE 46 HZ PHE 46 -8.239 1.220 6.099 379 HA PRO 47 HA PRO 47 0.175 6.526 7.830 380 1HB PRO 47 2HB PRO 47 1.381 4.305 9.055 381 2HB PRO 47 1HB PRO 47 0.693 5.708 9.869 382 1HG PRO 47 2HG PRO 47 -0.274 3.043 9.902 383 2HG PRO 47 1HG PRO 47 -1.025 4.471 10.623 384 1HD PRO 47 2HD PRO 47 -1.695 3.060 8.131 385 2HD PRO 47 1HD PRO 47 -2.685 4.149 9.116 386 H VAL 48 H VAL 48 -0.313 3.202 6.754 387 HA VAL 48 HA VAL 48 1.845 3.580 4.790 388 HB VAL 48 HB VAL 48 1.146 0.941 6.071 389 1HG1 VAL 48 1HG1 VAL 48 3.008 1.831 3.966 390 2HG1 VAL 48 2HG1 VAL 48 2.231 0.266 4.209 391 3HG1 VAL 48 3HG1 VAL 48 3.664 0.695 5.145 392 1HG2 VAL 48 1HG2 VAL 48 2.028 2.197 7.836 393 2HG2 VAL 48 2HG2 VAL 48 3.206 2.995 6.795 394 3HG2 VAL 48 3HG2 VAL 48 3.405 1.292 7.206 395 H ILE 49 H ILE 49 1.381 3.053 2.727 396 HA ILE 49 HA ILE 49 -1.128 1.618 2.169 397 HB ILE 49 HB ILE 49 -0.391 3.877 0.371 398 1HG1 ILE 49 2HG1 ILE 49 -0.326 4.796 2.718 399 2HG1 ILE 49 1HG1 ILE 49 -1.533 5.531 1.671 400 1HG2 ILE 49 1HG2 ILE 49 -2.774 2.266 1.048 401 2HG2 ILE 49 2HG2 ILE 49 -2.197 2.843 -0.515 402 3HG2 ILE 49 3HG2 ILE 49 -3.049 3.941 0.571 403 1HD1 ILE 49 1HD1 ILE 49 -2.099 4.844 4.129 404 2HD1 ILE 49 2HD1 ILE 49 -2.348 3.260 3.399 405 3HD1 ILE 49 3HD1 ILE 49 -3.280 4.645 2.835 406 H VAL 50 H VAL 50 -0.337 -0.241 1.214 407 HA VAL 50 HA VAL 50 1.774 0.055 -0.800 408 HB VAL 50 HB VAL 50 0.736 -2.499 0.426 409 1HG1 VAL 50 1HG1 VAL 50 3.282 -2.982 -0.343 410 2HG1 VAL 50 2HG1 VAL 50 2.784 -1.817 -1.571 411 3HG1 VAL 50 3HG1 VAL 50 1.866 -3.306 -1.344 412 1HG2 VAL 50 1HG2 VAL 50 3.244 -2.112 1.461 413 2HG2 VAL 50 2HG2 VAL 50 1.728 -1.807 2.311 414 3HG2 VAL 50 3HG2 VAL 50 2.563 -0.485 1.493 415 H LEU 51 H LEU 51 1.360 -0.297 -2.901 416 HA LEU 51 HA LEU 51 -1.372 -1.053 -3.643 417 1HB LEU 51 2HB LEU 51 -0.611 1.053 -4.544 418 2HB LEU 51 1HB LEU 51 0.828 0.297 -5.203 419 HG LEU 51 HG LEU 51 -0.889 -1.143 -6.561 420 1HD1 LEU 51 1HD1 LEU 51 -2.798 0.591 -7.141 421 2HD1 LEU 51 2HD1 LEU 51 -2.533 1.070 -5.464 422 3HD1 LEU 51 3HD1 LEU 51 -2.979 -0.592 -5.847 423 1HD2 LEU 51 1HD2 LEU 51 0.482 0.106 -7.885 424 2HD2 LEU 51 2HD2 LEU 51 0.126 1.607 -7.030 425 3HD2 LEU 51 3HD2 LEU 51 -1.042 0.948 -8.175 426 H ASP 52 H ASP 52 -1.807 -2.653 -5.145 427 HA ASP 52 HA ASP 52 0.425 -4.427 -5.867 428 1HB ASP 52 2HB ASP 52 -1.354 -5.101 -3.946 429 2HB ASP 52 1HB ASP 52 -2.209 -5.692 -5.367 430 H VAL 53 H VAL 53 0.592 -4.178 -8.005 431 HA VAL 53 HA VAL 53 -1.703 -3.643 -9.661 432 HB VAL 53 HB VAL 53 1.118 -4.243 -10.550 433 1HG1 VAL 53 1HG1 VAL 53 -0.227 -4.380 -12.439 434 2HG1 VAL 53 2HG1 VAL 53 0.320 -2.704 -12.458 435 3HG1 VAL 53 3HG1 VAL 53 -1.302 -3.095 -11.888 436 1HG2 VAL 53 1HG2 VAL 53 1.782 -2.165 -10.028 437 2HG2 VAL 53 2HG2 VAL 53 0.414 -2.171 -8.916 438 3HG2 VAL 53 3HG2 VAL 53 0.247 -1.449 -10.516 439 H TRP 54 H TRP 54 -2.729 -5.748 -8.938 440 HA TRP 54 HA TRP 54 -1.699 -8.200 -9.978 441 1HB TRP 54 2HB TRP 54 -3.141 -8.356 -8.086 442 2HB TRP 54 1HB TRP 54 -4.390 -7.395 -8.868 443 HD1 TRP 54 HD TRP 54 -6.339 -9.100 -8.890 444 HE1 TRP 54 1HE TRP 54 -6.708 -11.411 -9.959 445 HE3 TRP 54 3HE TRP 54 -1.559 -10.054 -10.448 446 HZ2 TRP 54 2HZ TRP 54 -5.181 -13.376 -11.287 447 HZ3 TRP 54 3HZ TRP 54 -1.101 -12.171 -11.610 448 HH2 TRP 54 HH TRP 54 -2.874 -13.799 -12.020 449 H MET 55 H MET 55 -4.877 -6.826 -10.772 450 HA MET 55 HA MET 55 -4.232 -6.822 -13.601 451 1HB MET 55 2HB MET 55 -6.054 -8.284 -14.246 452 2HB MET 55 1HB MET 55 -4.966 -9.137 -13.159 453 1HG MET 55 2HG MET 55 -6.581 -8.495 -11.302 454 2HG MET 55 1HG MET 55 -7.701 -8.054 -12.589 455 1HE MET 55 1HE MET 55 -9.657 -11.072 -12.408 456 2HE MET 55 2HE MET 55 -9.473 -9.336 -12.154 457 3HE MET 55 3HE MET 55 -9.109 -10.462 -10.847 458 HA PRO 56 HA PRO 56 -7.533 -3.767 -12.333 459 1HB PRO 56 2HB PRO 56 -5.936 -1.663 -11.482 460 2HB PRO 56 1HB PRO 56 -6.704 -2.846 -10.426 461 1HG PRO 56 2HG PRO 56 -3.920 -2.487 -10.902 462 2HG PRO 56 1HG PRO 56 -4.696 -3.729 -9.910 463 1HD PRO 56 2HD PRO 56 -3.678 -3.890 -12.693 464 2HD PRO 56 1HD PRO 56 -3.843 -5.164 -11.470 465 H ASP 57 H ASP 57 -7.104 -1.055 -12.804 466 HA ASP 57 HA ASP 57 -5.690 -0.652 -15.264 467 1HB ASP 57 2HB ASP 57 -7.720 -1.818 -16.070 468 2HB ASP 57 1HB ASP 57 -8.712 -0.561 -15.338 469 H GLY 58 H GLY 58 -5.257 0.668 -12.998 470 1HA GLY 58 2HA GLY 58 -6.466 3.310 -13.512 471 2HA GLY 58 1HA GLY 58 -6.280 2.703 -11.873 472 H ASP 59 H ASP 59 -5.174 5.116 -13.125 473 HA ASP 59 HA ASP 59 -2.362 4.668 -13.489 474 1HB ASP 59 2HB ASP 59 -3.963 6.611 -14.357 475 2HB ASP 59 1HB ASP 59 -3.424 7.383 -12.869 476 H GLY 60 H GLY 60 -1.151 4.063 -11.808 477 1HA GLY 60 2HA GLY 60 -1.793 5.001 -9.125 478 2HA GLY 60 1HA GLY 60 -0.602 3.780 -9.545 479 H VAL 61 H VAL 61 0.388 5.815 -11.660 480 HA VAL 61 HA VAL 61 2.579 6.767 -10.233 481 HB VAL 61 HB VAL 61 1.471 7.981 -12.765 482 1HG1 VAL 61 1HG1 VAL 61 4.334 7.722 -11.902 483 2HG1 VAL 61 2HG1 VAL 61 3.343 9.126 -11.507 484 3HG1 VAL 61 3HG1 VAL 61 3.665 8.719 -13.194 485 1HG2 VAL 61 1HG2 VAL 61 2.748 5.369 -12.255 486 2HG2 VAL 61 2HG2 VAL 61 3.361 6.279 -13.633 487 3HG2 VAL 61 3HG2 VAL 61 1.650 5.865 -13.543 488 H ASN 62 H ASN 62 -0.163 8.673 -11.515 489 HA ASN 62 HA ASN 62 0.534 11.017 -10.127 490 1HB ASN 62 2HB ASN 62 -1.765 11.702 -10.837 491 2HB ASN 62 1HB ASN 62 -0.735 11.159 -12.143 492 1HD2 ASN 62 1HD2 ASN 62 -3.238 10.067 -9.902 493 2HD2 ASN 62 2HD2 ASN 62 -3.958 8.931 -10.985 494 H PHE 63 H PHE 63 -1.207 8.171 -9.237 495 HA PHE 63 HA PHE 63 -2.917 9.191 -7.271 496 1HB PHE 63 2HB PHE 63 -3.127 6.906 -8.087 497 2HB PHE 63 1HB PHE 63 -1.552 6.494 -7.416 498 HD1 PHE 63 1HD PHE 63 -4.581 8.228 -6.098 499 HD2 PHE 63 2HD PHE 63 -1.737 5.103 -5.603 500 HE1 PHE 63 1HE PHE 63 -5.654 7.594 -3.977 501 HE2 PHE 63 2HE PHE 63 -2.804 4.463 -3.480 502 HZ PHE 63 HZ PHE 63 -4.766 5.711 -2.664 503 H ILE 64 H ILE 64 0.469 8.185 -7.092 504 HA ILE 64 HA ILE 64 0.920 8.150 -4.397 505 HB ILE 64 HB ILE 64 2.744 9.314 -6.503 506 1HG1 ILE 64 2HG1 ILE 64 3.456 6.710 -5.468 507 2HG1 ILE 64 1HG1 ILE 64 1.817 6.689 -6.111 508 1HG2 ILE 64 1HG2 ILE 64 4.489 8.483 -4.744 509 2HG2 ILE 64 2HG2 ILE 64 3.152 8.694 -3.613 510 3HG2 ILE 64 3HG2 ILE 64 3.729 10.064 -4.561 511 1HD1 ILE 64 1HD1 ILE 64 3.932 6.206 -7.611 512 2HD1 ILE 64 2HD1 ILE 64 3.917 7.963 -7.762 513 3HD1 ILE 64 3HD1 ILE 64 2.503 7.022 -8.242 514 H ASP 65 H ASP 65 0.270 10.934 -6.389 515 HA ASP 65 HA ASP 65 1.162 12.867 -4.474 516 1HB ASP 65 2HB ASP 65 0.802 13.124 -7.056 517 2HB ASP 65 1HB ASP 65 -0.860 13.486 -6.602 518 H PHE 66 H PHE 66 -1.888 11.298 -5.232 519 HA PHE 66 HA PHE 66 -3.576 12.932 -3.694 520 1HB PHE 66 2HB PHE 66 -4.621 11.446 -5.218 521 2HB PHE 66 1HB PHE 66 -3.745 10.055 -4.591 522 HD1 PHE 66 1HD PHE 66 -4.417 9.007 -2.490 523 HD2 PHE 66 2HD PHE 66 -6.618 12.240 -4.165 524 HE1 PHE 66 1HE PHE 66 -6.315 8.471 -1.021 525 HE2 PHE 66 2HE PHE 66 -8.521 11.710 -2.699 526 HZ PHE 66 HZ PHE 66 -8.371 9.823 -1.122 527 H ILE 67 H ILE 67 -1.761 9.991 -2.896 528 HA ILE 67 HA ILE 67 -2.655 9.679 -0.267 529 HB ILE 67 HB ILE 67 0.045 8.983 -1.436 530 1HG1 ILE 67 2HG1 ILE 67 -1.201 6.631 -1.170 531 2HG1 ILE 67 1HG1 ILE 67 -2.619 7.654 -1.374 532 1HG2 ILE 67 1HG2 ILE 67 0.470 8.885 0.828 533 2HG2 ILE 67 2HG2 ILE 67 -0.097 7.247 0.506 534 3HG2 ILE 67 3HG2 ILE 67 -1.186 8.432 1.227 535 1HD1 ILE 67 1HD1 ILE 67 -0.725 8.373 -3.354 536 2HD1 ILE 67 2HD1 ILE 67 -2.314 7.634 -3.557 537 3HD1 ILE 67 3HD1 ILE 67 -0.887 6.617 -3.350 538 H LYS 68 H LYS 68 0.001 11.622 -1.596 539 HA LYS 68 HA LYS 68 0.775 12.562 1.023 540 1HB LYS 68 2HB LYS 68 1.633 13.527 -1.713 541 2HB LYS 68 1HB LYS 68 2.388 13.961 -0.186 542 1HG LYS 68 2HG LYS 68 2.198 11.076 -0.732 543 2HG LYS 68 1HG LYS 68 3.263 11.992 -1.800 544 1HD LYS 68 2HD LYS 68 4.078 13.013 0.509 545 2HD LYS 68 1HD LYS 68 3.480 11.469 1.119 546 1HE LYS 68 2HE LYS 68 5.486 10.658 0.562 547 2HE LYS 68 1HE LYS 68 4.913 10.729 -1.104 548 1HZ LYS 68 1HZ LYS 68 6.415 12.880 0.290 549 2HZ LYS 68 2HZ LYS 68 5.886 12.924 -1.316 550 3HZ LYS 68 3HZ LYS 68 7.064 11.806 -0.843 551 H GLU 69 H GLU 69 -1.400 13.509 -1.477 552 HA GLU 69 HA GLU 69 -1.590 16.268 -0.936 553 1HB GLU 69 2HB GLU 69 -2.487 15.085 -2.965 554 2HB GLU 69 1HB GLU 69 -3.790 14.475 -1.957 555 1HG GLU 69 2HG GLU 69 -4.572 16.714 -1.534 556 2HG GLU 69 1HG GLU 69 -3.204 17.390 -2.418 557 H ASN 70 H ASN 70 -2.986 13.442 0.529 558 HA ASN 70 HA ASN 70 -4.167 15.141 2.612 559 1HB ASN 70 2HB ASN 70 -5.892 13.071 2.666 560 2HB ASN 70 1HB ASN 70 -6.174 14.532 1.727 561 1HD2 ASN 70 1HD2 ASN 70 -5.133 14.439 -0.519 562 2HD2 ASN 70 2HD2 ASN 70 -5.361 12.969 -1.396 563 H SER 71 H SER 71 -1.715 13.300 2.178 564 HA SER 71 HA SER 71 -1.566 12.362 4.848 565 1HB SER 71 2HB SER 71 -2.922 10.610 3.227 566 2HB SER 71 1HB SER 71 -1.272 10.003 3.119 567 HG SER 71 HG SER 71 -2.821 9.353 4.961 568 HA PRO 72 HA PRO 72 2.447 12.944 2.638 569 1HB PRO 72 2HB PRO 72 3.146 15.089 4.365 570 2HB PRO 72 1HB PRO 72 2.684 15.187 2.668 571 1HG PRO 72 2HG PRO 72 1.208 16.175 4.816 572 2HG PRO 72 1HG PRO 72 0.595 15.898 3.178 573 1HD PRO 72 2HD PRO 72 0.301 14.223 5.625 574 2HD PRO 72 1HD PRO 72 -0.833 14.475 4.280 575 H ASP 73 H ASP 73 1.439 12.237 5.766 576 HA ASP 73 HA ASP 73 4.157 11.787 6.746 577 1HB ASP 73 2HB ASP 73 2.453 12.985 8.164 578 2HB ASP 73 1HB ASP 73 1.585 11.457 8.281 579 H SER 74 H SER 74 1.791 10.108 5.122 580 HA SER 74 HA SER 74 2.205 7.563 6.435 581 1HB SER 74 2HB SER 74 0.869 7.114 4.018 582 2HB SER 74 1HB SER 74 0.143 7.266 5.615 583 HG SER 74 HG SER 74 0.537 9.293 3.681 584 H VAL 75 H VAL 75 2.327 5.731 4.480 585 HA VAL 75 HA VAL 75 4.769 6.378 2.966 586 HB VAL 75 HB VAL 75 4.181 3.776 4.401 587 1HG1 VAL 75 1HG1 VAL 75 5.388 3.480 2.264 588 2HG1 VAL 75 2HG1 VAL 75 6.376 3.057 3.662 589 3HG1 VAL 75 3HG1 VAL 75 6.631 4.593 2.832 590 1HG2 VAL 75 1HG2 VAL 75 4.910 5.863 5.731 591 2HG2 VAL 75 2HG2 VAL 75 6.481 5.611 4.969 592 3HG2 VAL 75 3HG2 VAL 75 5.780 4.351 5.985 593 H VAL 76 H VAL 76 4.970 5.468 0.937 594 HA VAL 76 HA VAL 76 2.634 3.968 -0.056 595 HB VAL 76 HB VAL 76 4.216 5.725 -1.892 596 1HG1 VAL 76 1HG1 VAL 76 2.769 4.556 -3.185 597 2HG1 VAL 76 2HG1 VAL 76 1.693 5.880 -2.735 598 3HG1 VAL 76 3HG1 VAL 76 1.603 4.340 -1.880 599 1HG2 VAL 76 1HG2 VAL 76 1.886 6.693 -0.238 600 2HG2 VAL 76 2HG2 VAL 76 2.742 7.602 -1.484 601 3HG2 VAL 76 3HG2 VAL 76 3.569 7.159 0.011 602 H ILE 77 H ILE 77 3.492 1.949 -0.024 603 HA ILE 77 HA ILE 77 6.177 1.391 -0.817 604 HB ILE 77 HB ILE 77 3.886 -0.547 -0.485 605 1HG1 ILE 77 2HG1 ILE 77 4.238 0.765 1.550 606 2HG1 ILE 77 1HG1 ILE 77 4.782 -0.892 1.787 607 1HG2 ILE 77 1HG2 ILE 77 5.446 -1.856 -1.493 608 2HG2 ILE 77 2HG2 ILE 77 6.040 -1.966 0.163 609 3HG2 ILE 77 3HG2 ILE 77 6.793 -0.845 -0.970 610 1HD1 ILE 77 1HD1 ILE 77 7.109 -0.031 1.228 611 2HD1 ILE 77 2HD1 ILE 77 6.420 0.439 2.782 612 3HD1 ILE 77 3HD1 ILE 77 6.432 1.583 1.440 613 H VAL 78 H VAL 78 3.138 0.165 -2.246 614 HA VAL 78 HA VAL 78 2.565 -0.308 -4.405 615 HB VAL 78 HB VAL 78 4.811 1.512 -5.278 616 1HG1 VAL 78 1HG1 VAL 78 2.145 0.922 -6.557 617 2HG1 VAL 78 2HG1 VAL 78 3.657 0.125 -6.990 618 3HG1 VAL 78 3HG1 VAL 78 3.471 1.861 -7.242 619 1HG2 VAL 78 1HG2 VAL 78 1.994 2.387 -4.676 620 2HG2 VAL 78 2HG2 VAL 78 3.388 3.394 -5.068 621 3HG2 VAL 78 3HG2 VAL 78 3.320 2.546 -3.523 622 H ILE 79 H ILE 79 3.103 -2.427 -4.541 623 HA ILE 79 HA ILE 79 5.874 -3.148 -5.147 624 HB ILE 79 HB ILE 79 3.757 -5.218 -4.751 625 1HG1 ILE 79 2HG1 ILE 79 5.051 -3.736 -2.456 626 2HG1 ILE 79 1HG1 ILE 79 3.392 -3.481 -2.982 627 1HG2 ILE 79 1HG2 ILE 79 5.594 -6.478 -4.797 628 2HG2 ILE 79 2HG2 ILE 79 6.058 -5.760 -3.255 629 3HG2 ILE 79 3HG2 ILE 79 6.634 -5.053 -4.765 630 1HD1 ILE 79 1HD1 ILE 79 3.881 -5.044 -0.987 631 2HD1 ILE 79 2HD1 ILE 79 4.312 -6.215 -2.235 632 3HD1 ILE 79 3HD1 ILE 79 2.689 -5.523 -2.196 633 H THR 80 H THR 80 4.765 -5.737 -6.384 634 HA THR 80 HA THR 80 4.478 -6.552 -8.480 635 HB THR 80 HB THR 80 2.885 -4.623 -9.770 636 HG1 THR 80 1HG THR 80 2.444 -3.460 -8.002 637 1HG2 THR 80 1HG2 THR 80 1.003 -6.192 -8.852 638 2HG2 THR 80 2HG2 THR 80 2.374 -7.196 -8.382 639 3HG2 THR 80 3HG2 THR 80 2.144 -6.754 -10.073 640 H GLY 81 H GLY 81 6.639 -6.262 -9.117 641 1HA GLY 81 2HA GLY 81 6.969 -4.587 -11.412 642 2HA GLY 81 1HA GLY 81 7.875 -3.984 -10.033 643 H HIS 82 H HIS 82 7.255 -7.339 -10.996 644 HA HIS 82 HA HIS 82 10.007 -8.032 -10.643 645 1HB HIS 82 2HB HIS 82 8.110 -9.592 -10.193 646 2HB HIS 82 1HB HIS 82 7.805 -9.663 -11.926 647 HD1 HIS 82 1HD HIS 82 9.549 -11.400 -9.329 648 HD2 HIS 82 2HD HIS 82 10.246 -10.664 -13.360 649 HE1 HIS 82 1HE HIS 82 11.236 -13.122 -10.045 650 HE2 HIS 82 2HE HIS 82 11.580 -12.710 -12.507 651 H GLY 83 H GLY 83 7.868 -7.667 -13.452 652 1HA GLY 83 2HA GLY 83 10.157 -8.055 -15.240 653 2HA GLY 83 1HA GLY 83 8.468 -8.011 -15.720 654 H SER 84 H SER 84 7.540 -5.688 -14.744 655 HA SER 84 HA SER 84 9.080 -3.726 -16.277 656 1HB SER 84 2HB SER 84 6.228 -3.654 -15.261 657 2HB SER 84 1HB SER 84 6.995 -2.372 -16.198 658 HG SER 84 HG SER 84 5.731 -3.886 -17.451 659 H VAL 85 H VAL 85 10.605 -3.790 -14.355 660 HA VAL 85 HA VAL 85 9.901 -2.716 -11.862 661 HB VAL 85 HB VAL 85 12.008 -3.917 -12.251 662 1HG1 VAL 85 1HG1 VAL 85 12.426 -2.817 -14.490 663 2HG1 VAL 85 2HG1 VAL 85 13.832 -3.003 -13.441 664 3HG1 VAL 85 3HG1 VAL 85 13.044 -1.432 -13.590 665 1HG2 VAL 85 1HG2 VAL 85 13.021 -1.296 -11.368 666 2HG2 VAL 85 2HG2 VAL 85 13.054 -2.860 -10.556 667 3HG2 VAL 85 3HG2 VAL 85 11.586 -1.883 -10.528 668 H ASP 86 H ASP 86 10.289 -1.200 -14.915 669 HA ASP 86 HA ASP 86 11.180 1.339 -14.277 670 1HB ASP 86 2HB ASP 86 9.016 0.671 -16.283 671 2HB ASP 86 1HB ASP 86 10.036 2.106 -16.282 672 H THR 87 H THR 87 7.996 -0.077 -13.811 673 HA THR 87 HA THR 87 6.560 2.266 -13.283 674 HB THR 87 HB THR 87 5.706 -0.157 -13.568 675 HG1 THR 87 1HG THR 87 4.553 1.388 -11.496 676 1HG2 THR 87 1HG2 THR 87 7.053 -0.764 -11.343 677 2HG2 THR 87 2HG2 THR 87 5.580 -1.598 -11.840 678 3HG2 THR 87 3HG2 THR 87 5.503 -0.316 -10.632 679 H ALA 88 H ALA 88 8.696 0.355 -11.284 680 HA ALA 88 HA ALA 88 8.061 1.412 -8.773 681 1HB ALA 88 1HB ALA 88 10.285 0.675 -8.089 682 2HB ALA 88 2HB ALA 88 10.749 0.483 -9.778 683 3HB ALA 88 3HB ALA 88 9.498 -0.549 -9.087 684 H VAL 89 H VAL 89 10.724 2.322 -10.941 685 HA VAL 89 HA VAL 89 11.532 4.597 -9.538 686 HB VAL 89 HB VAL 89 12.666 5.296 -11.595 687 1HG1 VAL 89 1HG1 VAL 89 12.791 2.400 -10.825 688 2HG1 VAL 89 2HG1 VAL 89 13.891 3.710 -10.395 689 3HG1 VAL 89 3HG1 VAL 89 13.872 3.079 -12.042 690 1HG2 VAL 89 1HG2 VAL 89 12.335 4.311 -13.691 691 2HG2 VAL 89 2HG2 VAL 89 10.704 4.546 -13.068 692 3HG2 VAL 89 3HG2 VAL 89 11.446 2.948 -13.012 693 H LYS 90 H LYS 90 8.900 4.097 -11.763 694 HA LYS 90 HA LYS 90 8.444 6.901 -12.246 695 1HB LYS 90 2HB LYS 90 7.860 5.232 -13.936 696 2HB LYS 90 1HB LYS 90 6.714 4.494 -12.824 697 1HG LYS 90 2HG LYS 90 5.243 6.299 -12.955 698 2HG LYS 90 1HG LYS 90 6.468 7.366 -13.640 699 1HD LYS 90 2HD LYS 90 5.791 4.920 -15.173 700 2HD LYS 90 1HD LYS 90 4.580 6.201 -15.125 701 1HE LYS 90 2HE LYS 90 7.204 7.290 -15.615 702 2HE LYS 90 1HE LYS 90 6.815 6.038 -16.795 703 1HZ LYS 90 1HZ LYS 90 6.061 8.571 -17.044 704 2HZ LYS 90 2HZ LYS 90 4.707 7.957 -16.238 705 3HZ LYS 90 3HZ LYS 90 5.194 7.279 -17.709 706 H ALA 91 H ALA 91 7.724 4.764 -9.714 707 HA ALA 91 HA ALA 91 5.468 6.436 -8.835 708 1HB ALA 91 1HB ALA 91 5.190 4.424 -7.190 709 2HB ALA 91 2HB ALA 91 6.160 3.570 -8.390 710 3HB ALA 91 3HB ALA 91 4.624 4.300 -8.856 711 H ILE 92 H ILE 92 8.589 5.117 -7.871 712 HA ILE 92 HA ILE 92 8.441 6.162 -5.205 713 HB ILE 92 HB ILE 92 10.615 5.331 -4.848 714 1HG1 ILE 92 2HG1 ILE 92 10.920 5.224 -7.860 715 2HG1 ILE 92 1HG1 ILE 92 11.753 6.322 -6.765 716 1HG2 ILE 92 1HG2 ILE 92 10.457 3.058 -6.240 717 2HG2 ILE 92 2HG2 ILE 92 8.829 3.670 -6.525 718 3HG2 ILE 92 3HG2 ILE 92 9.400 3.420 -4.877 719 1HD1 ILE 92 1HD1 ILE 92 13.007 4.530 -5.815 720 2HD1 ILE 92 2HD1 ILE 92 13.132 4.420 -7.572 721 3HD1 ILE 92 3HD1 ILE 92 12.058 3.331 -6.694 722 H LYS 93 H LYS 93 9.527 7.368 -8.273 723 HA LYS 93 HA LYS 93 11.247 9.403 -7.322 724 1HB LYS 93 2HB LYS 93 11.064 8.539 -9.704 725 2HB LYS 93 1HB LYS 93 9.615 9.524 -9.857 726 1HG LYS 93 2HG LYS 93 11.601 10.626 -10.778 727 2HG LYS 93 1HG LYS 93 10.892 11.533 -9.441 728 1HD LYS 93 2HD LYS 93 12.599 10.886 -7.956 729 2HD LYS 93 1HD LYS 93 13.157 9.602 -9.031 730 1HE LYS 93 2HE LYS 93 13.505 11.693 -10.656 731 2HE LYS 93 1HE LYS 93 13.682 12.517 -9.108 732 1HZ LYS 93 1HZ LYS 93 15.806 11.858 -9.354 733 2HZ LYS 93 2HZ LYS 93 15.421 10.566 -10.378 734 3HZ LYS 93 3HZ LYS 93 15.234 10.405 -8.705 735 H LYS 94 H LYS 94 7.795 9.133 -7.616 736 HA LYS 94 HA LYS 94 7.225 11.922 -7.399 737 1HB LYS 94 2HB LYS 94 5.686 10.188 -8.371 738 2HB LYS 94 1HB LYS 94 5.395 9.619 -6.733 739 1HG LYS 94 2HG LYS 94 3.712 11.063 -6.664 740 2HG LYS 94 1HG LYS 94 4.931 12.335 -6.567 741 1HD LYS 94 2HD LYS 94 3.700 11.249 -9.100 742 2HD LYS 94 1HD LYS 94 3.308 12.792 -8.338 743 1HE LYS 94 2HE LYS 94 6.119 12.131 -9.142 744 2HE LYS 94 1HE LYS 94 4.967 12.771 -10.313 745 1HZ LYS 94 1HZ LYS 94 6.215 14.085 -8.026 746 2HZ LYS 94 2HZ LYS 94 4.621 14.522 -8.388 747 3HZ LYS 94 3HZ LYS 94 5.834 14.704 -9.553 748 H GLY 95 H GLY 95 6.797 9.219 -5.102 749 1HA GLY 95 2HA GLY 95 7.947 10.483 -2.905 750 2HA GLY 95 1HA GLY 95 6.241 10.898 -2.888 751 H ALA 96 H ALA 96 7.636 7.837 -3.968 752 HA ALA 96 HA ALA 96 5.947 6.448 -2.049 753 1HB ALA 96 1HB ALA 96 5.939 4.715 -3.478 754 2HB ALA 96 2HB ALA 96 7.670 4.833 -3.790 755 3HB ALA 96 3HB ALA 96 6.546 5.895 -4.637 756 H TYR 97 H TYR 97 7.438 4.103 -1.708 757 HA TYR 97 HA TYR 97 9.557 5.092 0.072 758 1HB TYR 97 2HB TYR 97 7.653 3.930 1.148 759 2HB TYR 97 1HB TYR 97 8.035 2.487 0.218 760 HD1 TYR 97 1HD TYR 97 9.923 4.912 2.356 761 HD2 TYR 97 2HD TYR 97 9.105 0.845 1.419 762 HE1 TYR 97 1HE TYR 97 11.480 4.199 4.121 763 HE2 TYR 97 2HE TYR 97 10.659 0.120 3.181 764 HH TYR 97 HH TYR 97 11.936 2.283 5.511 765 H GLU 98 H GLU 98 9.735 4.394 -2.829 766 HA GLU 98 HA GLU 98 11.448 3.663 -4.142 767 1HB GLU 98 2HB GLU 98 13.456 3.169 -3.234 768 2HB GLU 98 1HB GLU 98 12.687 3.705 -1.750 769 1HG GLU 98 2HG GLU 98 12.024 1.126 -1.635 770 2HG GLU 98 1HG GLU 98 13.488 0.989 -2.608 771 H PHE 99 H PHE 99 8.931 2.148 -3.351 772 HA PHE 99 HA PHE 99 7.891 0.223 -3.977 773 1HB PHE 99 2HB PHE 99 9.960 0.678 -5.915 774 2HB PHE 99 1HB PHE 99 9.792 -1.053 -5.650 775 HD1 PHE 99 1HD PHE 99 8.490 -2.064 -7.235 776 HD2 PHE 99 2HD PHE 99 7.428 1.829 -5.883 777 HE1 PHE 99 1HE PHE 99 6.519 -2.094 -8.709 778 HE2 PHE 99 2HE PHE 99 5.456 1.806 -7.354 779 HZ PHE 99 HZ PHE 99 4.997 -0.158 -8.765 780 H LEU 100 H LEU 100 7.997 -2.165 -3.829 781 HA LEU 100 HA LEU 100 9.856 -2.955 -1.709 782 1HB LEU 100 2HB LEU 100 7.295 -3.129 -1.511 783 2HB LEU 100 1HB LEU 100 7.432 -4.490 -2.606 784 HG LEU 100 HG LEU 100 7.299 -5.237 -0.291 785 1HD1 LEU 100 1HD1 LEU 100 8.834 -6.889 -0.527 786 2HD1 LEU 100 2HD1 LEU 100 10.132 -5.776 -0.957 787 3HD1 LEU 100 3HD1 LEU 100 8.915 -6.215 -2.155 788 1HD2 LEU 100 1HD2 LEU 100 9.967 -3.992 0.251 789 2HD2 LEU 100 2HD2 LEU 100 8.771 -4.608 1.391 790 3HD2 LEU 100 3HD2 LEU 100 8.477 -3.093 0.537 791 H GLU 101 H GLU 101 11.341 -4.519 -2.003 792 HA GLU 101 HA GLU 101 12.015 -5.373 -4.606 793 1HB GLU 101 2HB GLU 101 12.969 -6.018 -1.851 794 2HB GLU 101 1HB GLU 101 13.461 -7.065 -3.175 795 1HG GLU 101 2HG GLU 101 13.793 -4.216 -3.730 796 2HG GLU 101 1HG GLU 101 14.759 -4.808 -2.379 797 H LYS 102 H LYS 102 11.059 -7.411 -1.835 798 HA LYS 102 HA LYS 102 9.904 -9.364 -1.709 799 1HB LYS 102 2HB LYS 102 8.363 -7.765 -3.246 800 2HB LYS 102 1HB LYS 102 8.657 -9.075 -4.380 801 1HG LYS 102 2HG LYS 102 7.678 -10.671 -2.916 802 2HG LYS 102 1HG LYS 102 7.608 -9.503 -1.595 803 1HD LYS 102 2HD LYS 102 5.482 -9.216 -2.277 804 2HD LYS 102 1HD LYS 102 6.210 -8.196 -3.518 805 1HE LYS 102 2HE LYS 102 6.037 -11.105 -4.065 806 2HE LYS 102 1HE LYS 102 4.533 -10.184 -4.095 807 1HZ LYS 102 1HZ LYS 102 5.135 -9.100 -5.958 808 2HZ LYS 102 2HZ LYS 102 6.136 -10.442 -6.195 809 3HZ LYS 102 3HZ LYS 102 6.771 -9.018 -5.536 810 HA PRO 103 HA PRO 103 12.843 -11.299 -4.794 811 1HB PRO 103 2HB PRO 103 14.754 -12.135 -3.109 812 2HB PRO 103 1HB PRO 103 14.723 -10.479 -3.727 813 1HG PRO 103 2HG PRO 103 13.815 -11.528 -1.075 814 2HG PRO 103 1HG PRO 103 14.730 -10.054 -1.441 815 1HD PRO 103 2HD PRO 103 12.029 -10.100 -0.971 816 2HD PRO 103 1HD PRO 103 12.842 -8.865 -1.953 817 H PHE 104 H PHE 104 10.855 -12.230 -2.300 818 HA PHE 104 HA PHE 104 11.110 -15.043 -3.056 819 1HB PHE 104 2HB PHE 104 11.923 -14.003 -0.540 820 2HB PHE 104 1HB PHE 104 10.454 -14.938 -0.276 821 HD1 PHE 104 1HD PHE 104 13.955 -15.084 -0.592 822 HD2 PHE 104 2HD PHE 104 10.408 -17.298 -1.384 823 HE1 PHE 104 1HE PHE 104 15.272 -17.161 -0.661 824 HE2 PHE 104 2HE PHE 104 11.719 -19.380 -1.453 825 HZ PHE 104 HZ PHE 104 14.153 -19.313 -1.092 826 H SER 105 H SER 105 9.216 -13.359 -0.564 827 HA SER 105 HA SER 105 6.800 -13.525 -2.139 828 1HB SER 105 2HB SER 105 6.865 -15.021 0.484 829 2HB SER 105 1HB SER 105 5.584 -15.011 -0.727 830 HG SER 105 HG SER 105 6.912 -16.176 -2.102 831 H VAL 106 H VAL 106 4.913 -13.169 -0.196 832 HA VAL 106 HA VAL 106 5.164 -10.453 0.432 833 HB VAL 106 HB VAL 106 2.995 -11.605 0.231 834 1HG1 VAL 106 1HG1 VAL 106 3.771 -12.864 2.856 835 2HG1 VAL 106 2HG1 VAL 106 3.473 -13.686 1.324 836 3HG1 VAL 106 3HG1 VAL 106 2.146 -12.895 2.173 837 1HG2 VAL 106 1HG2 VAL 106 2.368 -10.688 2.801 838 2HG2 VAL 106 2HG2 VAL 106 2.284 -9.784 1.289 839 3HG2 VAL 106 3HG2 VAL 106 3.745 -9.722 2.274 840 H GLU 107 H GLU 107 5.930 -13.341 2.290 841 HA GLU 107 HA GLU 107 6.117 -12.431 4.848 842 1HB GLU 107 2HB GLU 107 6.717 -14.730 3.837 843 2HB GLU 107 1HB GLU 107 8.340 -14.071 3.686 844 1HG GLU 107 2HG GLU 107 7.884 -13.466 6.240 845 2HG GLU 107 1HG GLU 107 6.828 -14.870 6.092 846 H ARG 108 H ARG 108 8.376 -11.827 2.212 847 HA ARG 108 HA ARG 108 10.356 -10.538 3.792 848 1HB ARG 108 2HB ARG 108 10.711 -11.497 1.489 849 2HB ARG 108 1HB ARG 108 9.816 -10.127 0.846 850 1HG ARG 108 2HG ARG 108 12.135 -9.584 2.621 851 2HG ARG 108 1HG ARG 108 12.443 -10.123 0.970 852 1HD ARG 108 2HD ARG 108 12.010 -8.091 0.188 853 2HD ARG 108 1HD ARG 108 10.417 -8.105 0.942 854 HE ARG 108 HE ARG 108 11.237 -6.793 2.634 855 1HH1 ARG 108 1HH1 ARG 108 13.910 -8.092 0.803 856 2HH1 ARG 108 2HH1 ARG 108 15.091 -7.097 1.585 857 1HH2 ARG 108 1HH2 ARG 108 12.791 -5.485 3.665 858 2HH2 ARG 108 2HH2 ARG 108 14.458 -5.618 3.210 859 H PHE 109 H PHE 109 7.546 -9.440 1.975 860 HA PHE 109 HA PHE 109 7.954 -6.678 2.152 861 1HB PHE 109 2HB PHE 109 6.256 -7.339 0.679 862 2HB PHE 109 1HB PHE 109 5.520 -8.416 1.856 863 HD1 PHE 109 1HD PHE 109 6.401 -4.786 1.921 864 HD2 PHE 109 2HD PHE 109 3.378 -7.757 2.296 865 HE1 PHE 109 1HE PHE 109 4.760 -3.043 2.492 866 HE2 PHE 109 2HE PHE 109 1.732 -6.021 2.867 867 HZ PHE 109 HZ PHE 109 2.424 -3.658 2.966 868 H LEU 110 H LEU 110 6.929 -9.004 4.504 869 HA LEU 110 HA LEU 110 5.600 -7.385 6.345 870 1HB LEU 110 2HB LEU 110 6.219 -9.993 6.216 871 2HB LEU 110 1HB LEU 110 7.367 -9.467 7.430 872 HG LEU 110 HG LEU 110 4.404 -8.951 7.614 873 1HD1 LEU 110 1HD1 LEU 110 4.443 -10.771 9.312 874 2HD1 LEU 110 2HD1 LEU 110 6.065 -11.183 8.758 875 3HD1 LEU 110 3HD1 LEU 110 4.696 -11.316 7.655 876 1HD2 LEU 110 1HD2 LEU 110 6.761 -8.272 9.236 877 2HD2 LEU 110 2HD2 LEU 110 5.392 -8.926 10.135 878 3HD2 LEU 110 3HD2 LEU 110 5.185 -7.488 9.135 879 H LEU 111 H LEU 111 9.039 -8.236 6.153 880 HA LEU 111 HA LEU 111 9.953 -6.863 8.378 881 1HB LEU 111 2HB LEU 111 11.346 -7.302 5.740 882 2HB LEU 111 1HB LEU 111 12.139 -6.779 7.214 883 HG LEU 111 HG LEU 111 10.833 -9.093 7.988 884 1HD1 LEU 111 1HD1 LEU 111 10.503 -9.377 5.436 885 2HD1 LEU 111 2HD1 LEU 111 11.084 -10.743 6.388 886 3HD1 LEU 111 3HD1 LEU 111 12.217 -9.788 5.432 887 1HD2 LEU 111 1HD2 LEU 111 13.301 -8.082 8.191 888 2HD2 LEU 111 2HD2 LEU 111 13.608 -9.351 7.006 889 3HD2 LEU 111 3HD2 LEU 111 12.915 -9.760 8.575 890 H THR 112 H THR 112 9.873 -5.682 5.009 891 HA THR 112 HA THR 112 10.830 -3.139 5.399 892 HB THR 112 HB THR 112 8.590 -3.954 3.535 893 HG1 THR 112 1HG THR 112 10.151 -5.121 2.749 894 1HG2 THR 112 1HG2 THR 112 8.897 -2.069 2.306 895 2HG2 THR 112 2HG2 THR 112 10.560 -1.848 2.847 896 3HG2 THR 112 3HG2 THR 112 9.222 -1.427 3.916 897 H ILE 113 H ILE 113 7.390 -4.052 5.401 898 HA ILE 113 HA ILE 113 6.025 -1.859 5.909 899 HB ILE 113 HB ILE 113 5.804 -4.492 7.333 900 1HG1 ILE 113 2HG1 ILE 113 5.181 -4.303 4.942 901 2HG1 ILE 113 1HG1 ILE 113 3.815 -4.740 5.965 902 1HG2 ILE 113 1HG2 ILE 113 4.404 -1.977 8.006 903 2HG2 ILE 113 2HG2 ILE 113 4.794 -3.367 9.019 904 3HG2 ILE 113 3HG2 ILE 113 3.421 -3.437 7.915 905 1HD1 ILE 113 1HD1 ILE 113 3.638 -2.020 5.911 906 2HD1 ILE 113 2HD1 ILE 113 2.739 -3.127 4.873 907 3HD1 ILE 113 3HD1 ILE 113 4.233 -2.392 4.293 908 H LYS 114 H LYS 114 7.451 -3.561 8.707 909 HA LYS 114 HA LYS 114 7.026 -1.613 10.614 910 1HB LYS 114 2HB LYS 114 7.929 -3.825 11.154 911 2HB LYS 114 1HB LYS 114 9.428 -3.430 10.328 912 1HG LYS 114 2HG LYS 114 8.570 -1.641 12.528 913 2HG LYS 114 1HG LYS 114 9.159 -3.247 12.958 914 1HD LYS 114 2HD LYS 114 10.656 -1.292 11.213 915 2HD LYS 114 1HD LYS 114 10.924 -1.489 12.944 916 1HE LYS 114 2HE LYS 114 11.169 -3.733 10.951 917 2HE LYS 114 1HE LYS 114 12.524 -2.731 11.463 918 1HZ LYS 114 1HZ LYS 114 10.947 -3.907 13.598 919 2HZ LYS 114 2HZ LYS 114 12.624 -3.734 13.458 920 3HZ LYS 114 3HZ LYS 114 11.836 -5.001 12.662 921 H HIS 115 H HIS 115 9.980 -2.087 8.725 922 HA HIS 115 HA HIS 115 11.324 0.231 9.438 923 1HB HIS 115 2HB HIS 115 11.375 -1.247 6.805 924 2HB HIS 115 1HB HIS 115 12.533 -0.007 7.271 925 HD1 HIS 115 1HD HIS 115 13.890 -0.624 9.587 926 HD2 HIS 115 2HD HIS 115 12.131 -3.753 7.495 927 HE1 HIS 115 1HE HIS 115 15.036 -2.707 10.405 928 HE2 HIS 115 2HE HIS 115 13.887 -4.596 9.198 929 H ALA 116 H ALA 116 8.647 -0.212 7.251 930 HA ALA 116 HA ALA 116 8.908 2.270 5.871 931 1HB ALA 116 1HB ALA 116 6.193 1.475 5.886 932 2HB ALA 116 2HB ALA 116 7.169 0.009 5.797 933 3HB ALA 116 3HB ALA 116 7.381 1.283 4.596 934 H PHE 117 H PHE 117 7.061 1.196 8.691 935 HA PHE 117 HA PHE 117 5.579 3.529 9.118 936 1HB PHE 117 2HB PHE 117 6.461 1.255 10.844 937 2HB PHE 117 1HB PHE 117 5.751 2.672 11.611 938 HD1 PHE 117 1HD PHE 117 3.421 3.136 11.437 939 HD2 PHE 117 2HD PHE 117 5.135 -0.105 9.275 940 HE1 PHE 117 1HE PHE 117 1.172 2.276 10.951 941 HE2 PHE 117 2HE PHE 117 2.890 -0.968 8.788 942 HZ PHE 117 HZ PHE 117 0.906 0.218 9.624 943 H GLU 118 H GLU 118 8.921 2.875 9.606 944 HA GLU 118 HA GLU 118 9.582 4.619 11.665 945 1HB GLU 118 2HB GLU 118 11.156 3.850 9.210 946 2HB GLU 118 1HB GLU 118 11.830 4.727 10.576 947 1HG GLU 118 2HG GLU 118 10.457 2.301 11.382 948 2HG GLU 118 1HG GLU 118 11.774 1.995 10.250 949 H GLU 119 H GLU 119 8.515 5.327 8.470 950 HA GLU 119 HA GLU 119 9.538 8.056 8.565 951 1HB GLU 119 2HB GLU 119 7.902 6.676 6.431 952 2HB GLU 119 1HB GLU 119 8.653 8.259 6.293 953 1HG GLU 119 2HG GLU 119 10.629 6.337 7.046 954 2HG GLU 119 1HG GLU 119 9.742 5.753 5.639 955 H TYR 120 H TYR 120 7.461 7.093 10.443 956 HA TYR 120 HA TYR 120 5.233 8.842 9.643 957 1HB TYR 120 2HB TYR 120 4.877 6.325 10.208 958 2HB TYR 120 1HB TYR 120 5.061 6.846 11.879 959 HD1 TYR 120 1HD TYR 120 3.212 7.637 13.049 960 HD2 TYR 120 2HD TYR 120 3.100 7.582 8.796 961 HE1 TYR 120 1HE TYR 120 0.843 8.294 13.108 962 HE2 TYR 120 2HE TYR 120 0.733 8.241 8.843 963 HH TYR 120 HH TYR 120 -1.210 8.006 10.570 964 H SER 121 H SER 121 7.787 9.683 10.832 965 HA SER 121 HA SER 121 6.939 10.587 13.488 966 1HB SER 121 2HB SER 121 9.196 9.487 13.163 967 2HB SER 121 1HB SER 121 9.670 10.907 12.232 968 HG SER 121 HG SER 121 10.150 11.735 14.096 Start of MODEL 35 1 1H MET 1 1HT MET 1 -2.450 3.543 18.221 2 2H MET 1 2HT MET 1 -2.119 4.021 16.606 3 3H MET 1 3HT MET 1 -0.828 3.685 17.685 4 HA MET 1 HA MET 1 -1.292 1.436 17.727 5 1HB MET 1 2HB MET 1 -3.297 0.563 16.478 6 2HB MET 1 1HB MET 1 -3.674 1.502 17.915 7 1HG MET 1 2HG MET 1 -4.040 3.475 16.431 8 2HG MET 1 1HG MET 1 -3.861 2.393 15.051 9 1HE MET 1 1HE MET 1 -5.928 1.777 13.839 10 2HE MET 1 2HE MET 1 -6.288 3.433 14.330 11 3HE MET 1 3HE MET 1 -7.525 2.184 14.468 12 H LYS 2 H LYS 2 -1.620 -0.098 15.616 13 HA LYS 2 HA LYS 2 -0.147 1.221 13.436 14 1HB LYS 2 2HB LYS 2 0.403 -1.249 14.925 15 2HB LYS 2 1HB LYS 2 0.567 -1.380 13.180 16 1HG LYS 2 2HG LYS 2 2.683 -0.829 14.298 17 2HG LYS 2 1HG LYS 2 2.177 0.411 13.150 18 1HD LYS 2 2HD LYS 2 1.423 1.837 14.909 19 2HD LYS 2 1HD LYS 2 1.630 0.560 16.109 20 1HE LYS 2 2HE LYS 2 3.605 1.551 16.503 21 2HE LYS 2 1HE LYS 2 4.127 0.702 15.048 22 1HZ LYS 2 1HZ LYS 2 4.756 2.889 14.679 23 2HZ LYS 2 2HZ LYS 2 3.342 3.531 15.349 24 3HZ LYS 2 3HZ LYS 2 3.293 2.777 13.835 25 H ARG 3 H ARG 3 -1.038 1.112 11.479 26 HA ARG 3 HA ARG 3 -2.684 -1.128 10.708 27 1HB ARG 3 2HB ARG 3 -4.637 0.200 10.121 28 2HB ARG 3 1HB ARG 3 -4.305 0.294 11.845 29 1HG ARG 3 2HG ARG 3 -3.141 2.383 10.118 30 2HG ARG 3 1HG ARG 3 -4.883 2.413 10.385 31 1HD ARG 3 2HD ARG 3 -3.861 1.971 12.906 32 2HD ARG 3 1HD ARG 3 -2.699 3.088 12.192 33 HE ARG 3 HE ARG 3 -5.439 3.879 11.830 34 1HH1 ARG 3 1HH1 ARG 3 -2.680 4.003 13.964 35 2HH1 ARG 3 2HH1 ARG 3 -3.211 5.440 14.770 36 1HH2 ARG 3 1HH2 ARG 3 -6.138 5.771 12.889 37 2HH2 ARG 3 2HH2 ARG 3 -5.174 6.444 14.160 38 H VAL 4 H VAL 4 -2.531 -1.547 8.587 39 HA VAL 4 HA VAL 4 -1.255 0.500 6.891 40 HB VAL 4 HB VAL 4 -1.043 -2.503 6.606 41 1HG1 VAL 4 1HG1 VAL 4 0.029 -0.198 5.032 42 2HG1 VAL 4 2HG1 VAL 4 -0.720 -1.689 4.465 43 3HG1 VAL 4 3HG1 VAL 4 0.924 -1.715 5.103 44 1HG2 VAL 4 1HG2 VAL 4 1.031 -0.541 7.584 45 2HG2 VAL 4 2HG2 VAL 4 1.232 -2.285 7.406 46 3HG2 VAL 4 3HG2 VAL 4 0.114 -1.643 8.611 47 H LEU 5 H LEU 5 -1.786 0.332 4.553 48 HA LEU 5 HA LEU 5 -4.558 -0.587 4.168 49 1HB LEU 5 2HB LEU 5 -4.420 1.839 4.172 50 2HB LEU 5 1HB LEU 5 -3.159 1.797 2.955 51 HG LEU 5 HG LEU 5 -4.774 0.839 1.342 52 1HD1 LEU 5 1HD1 LEU 5 -6.896 0.271 1.850 53 2HD1 LEU 5 2HD1 LEU 5 -7.078 1.571 3.028 54 3HD1 LEU 5 3HD1 LEU 5 -6.230 0.092 3.471 55 1HD2 LEU 5 1HD2 LEU 5 -6.364 3.020 1.586 56 2HD2 LEU 5 2HD2 LEU 5 -4.749 3.038 0.878 57 3HD2 LEU 5 3HD2 LEU 5 -4.978 3.503 2.563 58 H VAL 6 H VAL 6 -5.125 -1.521 2.214 59 HA VAL 6 HA VAL 6 -2.901 -2.239 0.419 60 HB VAL 6 HB VAL 6 -5.207 -4.093 0.965 61 1HG1 VAL 6 1HG1 VAL 6 -2.698 -4.178 -0.575 62 2HG1 VAL 6 2HG1 VAL 6 -4.238 -4.990 -0.860 63 3HG1 VAL 6 3HG1 VAL 6 -3.102 -5.644 0.319 64 1HG2 VAL 6 1HG2 VAL 6 -3.989 -5.242 2.629 65 2HG2 VAL 6 2HG2 VAL 6 -3.921 -3.537 3.075 66 3HG2 VAL 6 3HG2 VAL 6 -2.528 -4.305 2.315 67 H VAL 7 H VAL 7 -3.338 -2.278 -1.755 68 HA VAL 7 HA VAL 7 -6.078 -1.665 -2.615 69 HB VAL 7 HB VAL 7 -3.697 -0.300 -3.863 70 1HG1 VAL 7 1HG1 VAL 7 -6.173 -0.637 -4.845 71 2HG1 VAL 7 2HG1 VAL 7 -5.173 0.774 -5.190 72 3HG1 VAL 7 3HG1 VAL 7 -6.408 0.855 -3.935 73 1HG2 VAL 7 1HG2 VAL 7 -5.451 0.658 -1.612 74 2HG2 VAL 7 2HG2 VAL 7 -4.498 1.745 -2.622 75 3HG2 VAL 7 3HG2 VAL 7 -3.693 0.523 -1.638 76 H ASP 8 H ASP 8 -6.684 -3.271 -3.918 77 HA ASP 8 HA ASP 8 -4.921 -4.099 -6.074 78 1HB ASP 8 2HB ASP 8 -4.178 -5.703 -4.531 79 2HB ASP 8 1HB ASP 8 -5.773 -5.899 -3.819 80 H ASP 9 H ASP 9 -6.016 -5.255 -7.744 81 HA ASP 9 HA ASP 9 -8.820 -4.540 -7.923 82 1HB ASP 9 2HB ASP 9 -7.316 -4.110 -9.827 83 2HB ASP 9 1HB ASP 9 -6.999 -5.835 -9.966 84 H GLU 10 H GLU 10 -8.588 -6.394 -5.988 85 HA GLU 10 HA GLU 10 -10.134 -8.584 -7.059 86 1HB GLU 10 2HB GLU 10 -7.465 -9.035 -6.956 87 2HB GLU 10 1HB GLU 10 -7.927 -9.536 -5.335 88 1HG GLU 10 2HG GLU 10 -9.589 -10.569 -7.540 89 2HG GLU 10 1HG GLU 10 -7.933 -11.169 -7.456 90 H GLU 11 H GLU 11 -11.376 -9.643 -5.489 91 HA GLU 11 HA GLU 11 -12.030 -8.082 -3.214 92 1HB GLU 11 2HB GLU 11 -12.957 -10.635 -4.402 93 2HB GLU 11 1HB GLU 11 -13.287 -10.402 -2.692 94 1HG GLU 11 2HG GLU 11 -13.947 -8.074 -4.306 95 2HG GLU 11 1HG GLU 11 -14.838 -9.521 -4.774 96 H SER 12 H SER 12 -12.120 -8.943 -0.980 97 HA SER 12 HA SER 12 -11.121 -9.732 0.903 98 1HB SER 12 2HB SER 12 -9.768 -11.797 -0.839 99 2HB SER 12 1HB SER 12 -10.147 -11.914 0.879 100 HG SER 12 HG SER 12 -12.214 -12.288 0.420 101 H ILE 13 H ILE 13 -8.679 -10.675 1.541 102 HA ILE 13 HA ILE 13 -7.002 -8.375 1.103 103 HB ILE 13 HB ILE 13 -6.236 -10.913 2.526 104 1HG1 ILE 13 2HG1 ILE 13 -8.378 -10.070 3.421 105 2HG1 ILE 13 1HG1 ILE 13 -7.073 -9.915 4.591 106 1HG2 ILE 13 1HG2 ILE 13 -4.317 -9.649 2.307 107 2HG2 ILE 13 2HG2 ILE 13 -4.919 -9.155 3.888 108 3HG2 ILE 13 3HG2 ILE 13 -5.179 -8.121 2.484 109 1HD1 ILE 13 1HD1 ILE 13 -6.930 -7.501 3.452 110 2HD1 ILE 13 2HD1 ILE 13 -7.953 -7.864 4.843 111 3HD1 ILE 13 3HD1 ILE 13 -8.645 -7.841 3.220 112 H THR 14 H THR 14 -4.657 -8.694 0.576 113 HA THR 14 HA THR 14 -4.445 -10.131 -1.910 114 HB THR 14 HB THR 14 -2.314 -9.043 -2.163 115 HG1 THR 14 1HG THR 14 -1.281 -8.041 -0.508 116 1HG2 THR 14 1HG2 THR 14 -2.840 -6.658 -1.704 117 2HG2 THR 14 2HG2 THR 14 -4.304 -7.193 -0.879 118 3HG2 THR 14 3HG2 THR 14 -4.091 -7.521 -2.599 119 H SER 15 H SER 15 -3.594 -12.071 -2.205 120 HA SER 15 HA SER 15 -3.218 -14.013 -0.430 121 1HB SER 15 2HB SER 15 -2.044 -15.240 -2.039 122 2HB SER 15 1HB SER 15 -2.927 -14.054 -2.999 123 HG SER 15 HG SER 15 -1.104 -13.070 -3.492 124 H SER 16 H SER 16 -1.952 -14.545 1.203 125 HA SER 16 HA SER 16 -0.088 -14.802 2.502 126 1HB SER 16 2HB SER 16 2.030 -14.338 1.730 127 2HB SER 16 1HB SER 16 1.144 -14.378 0.206 128 HG SER 16 HG SER 16 1.945 -12.108 1.695 129 H LEU 17 H LEU 17 -0.704 -11.478 1.396 130 HA LEU 17 HA LEU 17 0.370 -10.080 3.521 131 1HB LEU 17 2HB LEU 17 -0.815 -9.334 1.301 132 2HB LEU 17 1HB LEU 17 -2.238 -9.243 2.311 133 HG LEU 17 HG LEU 17 -0.431 -7.214 1.844 134 1HD1 LEU 17 1HD1 LEU 17 -1.658 -6.287 4.011 135 2HD1 LEU 17 2HD1 LEU 17 -2.664 -7.705 3.713 136 3HD1 LEU 17 3HD1 LEU 17 -2.472 -6.482 2.459 137 1HD2 LEU 17 1HD2 LEU 17 0.478 -6.731 4.141 138 2HD2 LEU 17 2HD2 LEU 17 1.285 -8.027 3.261 139 3HD2 LEU 17 3HD2 LEU 17 0.142 -8.413 4.546 140 H SER 18 H SER 18 -2.964 -11.306 3.205 141 HA SER 18 HA SER 18 -4.017 -10.417 5.592 142 1HB SER 18 2HB SER 18 -4.978 -11.937 3.593 143 2HB SER 18 1HB SER 18 -4.727 -13.193 4.804 144 HG SER 18 HG SER 18 -6.168 -12.235 6.123 145 H ALA 19 H ALA 19 -2.772 -13.729 5.116 146 HA ALA 19 HA ALA 19 -2.759 -14.576 7.718 147 1HB ALA 19 1HB ALA 19 -2.032 -15.740 5.469 148 2HB ALA 19 2HB ALA 19 -1.461 -16.331 7.029 149 3HB ALA 19 3HB ALA 19 -0.418 -15.314 6.036 150 H ILE 20 H ILE 20 -0.300 -12.645 6.079 151 HA ILE 20 HA ILE 20 1.641 -12.661 8.092 152 HB ILE 20 HB ILE 20 1.007 -10.695 5.901 153 1HG1 ILE 20 2HG1 ILE 20 3.314 -12.589 6.395 154 2HG1 ILE 20 1HG1 ILE 20 1.979 -12.860 5.281 155 1HG2 ILE 20 1HG2 ILE 20 2.841 -10.346 8.195 156 2HG2 ILE 20 2HG2 ILE 20 2.014 -9.142 7.207 157 3HG2 ILE 20 3HG2 ILE 20 3.475 -9.924 6.606 158 1HD1 ILE 20 1HD1 ILE 20 4.416 -11.327 4.935 159 2HD1 ILE 20 2HD1 ILE 20 2.967 -10.434 4.474 160 3HD1 ILE 20 3HD1 ILE 20 3.313 -11.997 3.733 161 H LEU 21 H LEU 21 -0.543 -9.915 7.362 162 HA LEU 21 HA LEU 21 -0.099 -8.443 9.640 163 1HB LEU 21 2HB LEU 21 -2.741 -8.808 8.236 164 2HB LEU 21 1HB LEU 21 -2.311 -7.471 9.284 165 HG LEU 21 HG LEU 21 -0.414 -7.816 7.107 166 1HD1 LEU 21 1HD1 LEU 21 -1.803 -8.185 5.427 167 2HD1 LEU 21 2HD1 LEU 21 -2.524 -6.610 5.755 168 3HD1 LEU 21 3HD1 LEU 21 -3.212 -8.063 6.481 169 1HD2 LEU 21 1HD2 LEU 21 -2.148 -5.520 8.001 170 2HD2 LEU 21 2HD2 LEU 21 -0.800 -5.417 6.867 171 3HD2 LEU 21 3HD2 LEU 21 -0.506 -5.858 8.550 172 H GLU 22 H GLU 22 -2.053 -11.312 9.247 173 HA GLU 22 HA GLU 22 -3.457 -11.143 11.701 174 1HB GLU 22 2HB GLU 22 -3.013 -13.198 9.629 175 2HB GLU 22 1HB GLU 22 -3.443 -13.787 11.230 176 1HG GLU 22 2HG GLU 22 -5.535 -12.868 11.161 177 2HG GLU 22 1HG GLU 22 -5.061 -11.602 10.028 178 H GLU 23 H GLU 23 -0.314 -12.373 10.785 179 HA GLU 23 HA GLU 23 0.115 -13.660 13.342 180 1HB GLU 23 2HB GLU 23 1.141 -14.778 11.539 181 2HB GLU 23 1HB GLU 23 1.771 -13.285 10.858 182 1HG GLU 23 2HG GLU 23 3.638 -13.399 12.053 183 2HG GLU 23 1HG GLU 23 2.771 -13.808 13.532 184 H GLU 24 H GLU 24 0.996 -10.697 11.695 185 HA GLU 24 HA GLU 24 2.841 -9.858 13.744 186 1HB GLU 24 2HB GLU 24 1.639 -8.207 11.516 187 2HB GLU 24 1HB GLU 24 3.084 -7.838 12.447 188 1HG GLU 24 2HG GLU 24 2.807 -10.245 10.668 189 2HG GLU 24 1HG GLU 24 3.505 -8.710 10.153 190 H GLY 25 H GLY 25 -0.487 -9.142 12.818 191 1HA GLY 25 2HA GLY 25 -2.177 -8.459 14.297 192 2HA GLY 25 1HA GLY 25 -0.943 -8.018 15.466 193 H TYR 26 H TYR 26 -2.379 -7.051 12.378 194 HA TYR 26 HA TYR 26 -1.857 -4.247 13.113 195 1HB TYR 26 2HB TYR 26 -1.349 -5.643 10.507 196 2HB TYR 26 1HB TYR 26 -1.717 -3.927 10.525 197 HD1 TYR 26 1HD TYR 26 -0.102 -2.324 11.228 198 HD2 TYR 26 2HD TYR 26 0.710 -6.482 11.607 199 HE1 TYR 26 1HE TYR 26 2.262 -1.816 11.669 200 HE2 TYR 26 2HE TYR 26 3.076 -5.985 12.047 201 HH TYR 26 HH TYR 26 4.692 -4.204 11.650 202 H HIS 27 H HIS 27 -3.104 -2.904 11.240 203 HA HIS 27 HA HIS 27 -5.878 -3.889 11.212 204 1HB HIS 27 2HB HIS 27 -4.808 -1.488 12.351 205 2HB HIS 27 1HB HIS 27 -5.834 -1.046 10.991 206 HD1 HIS 27 1HD HIS 27 -8.145 -0.599 11.707 207 HD2 HIS 27 2HD HIS 27 -6.360 -3.533 14.045 208 HE1 HIS 27 1HE HIS 27 -9.885 -1.263 13.396 209 HE2 HIS 27 2HE HIS 27 -8.750 -2.971 14.859 210 HA PRO 28 HA PRO 28 -4.526 -3.139 6.896 211 1HB PRO 28 2HB PRO 28 -5.205 -5.512 5.867 212 2HB PRO 28 1HB PRO 28 -3.715 -5.288 6.790 213 1HG PRO 28 2HG PRO 28 -6.296 -6.520 7.626 214 2HG PRO 28 1HG PRO 28 -4.641 -6.984 8.050 215 1HD PRO 28 2HD PRO 28 -6.364 -5.484 9.645 216 2HD PRO 28 1HD PRO 28 -4.604 -5.578 9.838 217 H ASP 29 H ASP 29 -5.719 -2.217 5.401 218 HA ASP 29 HA ASP 29 -8.589 -2.856 5.231 219 1HB ASP 29 2HB ASP 29 -8.376 -0.654 6.242 220 2HB ASP 29 1HB ASP 29 -7.260 -0.144 4.984 221 H THR 30 H THR 30 -9.225 -3.479 3.230 222 HA THR 30 HA THR 30 -7.219 -3.317 1.113 223 HB THR 30 HB THR 30 -8.559 -5.052 -0.013 224 HG1 THR 30 1HG THR 30 -10.378 -5.839 0.908 225 1HG2 THR 30 1HG2 THR 30 -8.208 -6.876 1.539 226 2HG2 THR 30 2HG2 THR 30 -7.999 -5.729 2.863 227 3HG2 THR 30 3HG2 THR 30 -6.829 -5.776 1.544 228 H ALA 31 H ALA 31 -7.603 -2.604 -0.923 229 HA ALA 31 HA ALA 31 -10.080 -1.086 -1.389 230 1HB ALA 31 1HB ALA 31 -8.011 0.326 -0.849 231 2HB ALA 31 2HB ALA 31 -8.907 0.729 -2.314 232 3HB ALA 31 3HB ALA 31 -7.404 -0.188 -2.424 233 H LYS 32 H LYS 32 -11.074 -1.612 -3.249 234 HA LYS 32 HA LYS 32 -9.872 -3.623 -4.924 235 1HB LYS 32 2HB LYS 32 -12.461 -2.362 -5.672 236 2HB LYS 32 1HB LYS 32 -11.972 -4.049 -5.744 237 1HG LYS 32 2HG LYS 32 -12.236 -4.273 -3.363 238 2HG LYS 32 1HG LYS 32 -12.586 -2.554 -3.213 239 1HD LYS 32 2HD LYS 32 -14.549 -2.951 -4.761 240 2HD LYS 32 1HD LYS 32 -14.257 -4.677 -4.538 241 1HE LYS 32 2HE LYS 32 -14.456 -2.997 -2.103 242 2HE LYS 32 1HE LYS 32 -15.942 -3.292 -3.006 243 1HZ LYS 32 1HZ LYS 32 -15.802 -5.565 -2.644 244 2HZ LYS 32 2HZ LYS 32 -15.298 -4.922 -1.164 245 3HZ LYS 32 3HZ LYS 32 -14.156 -5.521 -2.259 246 H THR 33 H THR 33 -9.860 -0.271 -4.924 247 HA THR 33 HA THR 33 -8.494 -0.121 -7.392 248 HB THR 33 HB THR 33 -10.378 1.595 -8.246 249 HG1 THR 33 1HG THR 33 -12.238 1.232 -7.385 250 1HG2 THR 33 1HG2 THR 33 -9.398 -0.643 -9.266 251 2HG2 THR 33 2HG2 THR 33 -10.817 0.161 -9.939 252 3HG2 THR 33 3HG2 THR 33 -11.014 -1.225 -8.865 253 H LEU 34 H LEU 34 -8.038 2.216 -7.972 254 HA LEU 34 HA LEU 34 -7.089 3.573 -5.716 255 1HB LEU 34 2HB LEU 34 -7.664 4.788 -8.418 256 2HB LEU 34 1HB LEU 34 -6.533 5.383 -7.217 257 HG LEU 34 HG LEU 34 -6.221 2.696 -8.541 258 1HD1 LEU 34 1HD1 LEU 34 -4.998 5.324 -9.363 259 2HD1 LEU 34 2HD1 LEU 34 -6.205 4.411 -10.270 260 3HD1 LEU 34 3HD1 LEU 34 -4.592 3.741 -10.025 261 1HD2 LEU 34 1HD2 LEU 34 -5.031 3.665 -6.314 262 2HD2 LEU 34 2HD2 LEU 34 -3.910 4.222 -7.556 263 3HD2 LEU 34 3HD2 LEU 34 -4.286 2.505 -7.413 264 H ARG 35 H ARG 35 -10.187 3.541 -7.202 265 HA ARG 35 HA ARG 35 -11.095 6.047 -6.143 266 1HB ARG 35 2HB ARG 35 -12.015 4.502 -8.126 267 2HB ARG 35 1HB ARG 35 -13.029 3.889 -6.826 268 1HG ARG 35 2HG ARG 35 -12.994 6.762 -6.791 269 2HG ARG 35 1HG ARG 35 -13.444 6.168 -8.390 270 1HD ARG 35 2HD ARG 35 -14.735 4.747 -6.179 271 2HD ARG 35 1HD ARG 35 -15.147 6.460 -6.271 272 HE ARG 35 HE ARG 35 -16.088 4.421 -7.973 273 1HH1 ARG 35 1HH1 ARG 35 -14.957 7.721 -8.071 274 2HH1 ARG 35 2HH1 ARG 35 -15.877 8.126 -9.480 275 1HH2 ARG 35 1HH2 ARG 35 -17.300 4.952 -9.827 276 2HH2 ARG 35 2HH2 ARG 35 -17.208 6.555 -10.477 277 H GLU 36 H GLU 36 -11.476 2.626 -5.280 278 HA GLU 36 HA GLU 36 -13.069 3.075 -2.984 279 1HB GLU 36 2HB GLU 36 -12.381 0.854 -4.368 280 2HB GLU 36 1HB GLU 36 -11.278 0.708 -3.006 281 1HG GLU 36 2HG GLU 36 -14.276 0.907 -2.888 282 2HG GLU 36 1HG GLU 36 -13.289 -0.514 -2.547 283 H ALA 37 H ALA 37 -9.626 3.101 -3.588 284 HA ALA 37 HA ALA 37 -8.858 3.041 -0.829 285 1HB ALA 37 1HB ALA 37 -7.159 4.113 -3.061 286 2HB ALA 37 2HB ALA 37 -7.439 2.383 -2.858 287 3HB ALA 37 3HB ALA 37 -6.653 3.306 -1.576 288 H GLU 38 H GLU 38 -8.830 5.628 -3.298 289 HA GLU 38 HA GLU 38 -8.054 7.755 -1.782 290 1HB GLU 38 2HB GLU 38 -10.139 7.630 -3.952 291 2HB GLU 38 1HB GLU 38 -9.602 9.146 -3.241 292 1HG GLU 38 2HG GLU 38 -7.475 8.965 -4.138 293 2HG GLU 38 1HG GLU 38 -7.622 7.227 -4.390 294 H LYS 39 H LYS 39 -11.310 6.373 -1.958 295 HA LYS 39 HA LYS 39 -12.557 8.261 -0.279 296 1HB LYS 39 2HB LYS 39 -13.792 6.644 -1.689 297 2HB LYS 39 1HB LYS 39 -13.240 5.337 -0.650 298 1HG LYS 39 2HG LYS 39 -14.753 7.631 0.516 299 2HG LYS 39 1HG LYS 39 -15.608 6.334 -0.320 300 1HD LYS 39 2HD LYS 39 -14.208 4.772 1.213 301 2HD LYS 39 1HD LYS 39 -13.986 6.222 2.194 302 1HE LYS 39 2HE LYS 39 -16.356 6.462 2.479 303 2HE LYS 39 1HE LYS 39 -16.672 5.158 1.335 304 1HZ LYS 39 1HZ LYS 39 -15.216 4.797 3.895 305 2HZ LYS 39 2HZ LYS 39 -15.742 3.582 2.841 306 3HZ LYS 39 3HZ LYS 39 -16.870 4.504 3.701 307 H LYS 40 H LYS 40 -11.221 5.038 0.414 308 HA LYS 40 HA LYS 40 -11.585 5.113 3.191 309 1HB LYS 40 2HB LYS 40 -9.463 3.655 1.607 310 2HB LYS 40 1HB LYS 40 -9.906 3.315 3.273 311 1HG LYS 40 2HG LYS 40 -12.190 3.268 1.477 312 2HG LYS 40 1HG LYS 40 -10.941 2.102 1.033 313 1HD LYS 40 2HD LYS 40 -11.397 0.792 2.789 314 2HD LYS 40 1HD LYS 40 -11.459 2.162 3.898 315 1HE LYS 40 2HE LYS 40 -13.748 2.555 2.541 316 2HE LYS 40 1HE LYS 40 -13.630 0.799 2.435 317 1HZ LYS 40 1HZ LYS 40 -14.117 2.488 4.748 318 2HZ LYS 40 2HZ LYS 40 -13.097 1.165 5.009 319 3HZ LYS 40 3HZ LYS 40 -14.664 0.923 4.416 320 H ILE 41 H ILE 41 -9.094 6.479 1.145 321 HA ILE 41 HA ILE 41 -7.428 7.141 3.448 322 HB ILE 41 HB ILE 41 -6.978 7.819 0.545 323 1HG1 ILE 41 2HG1 ILE 41 -5.723 5.576 2.131 324 2HG1 ILE 41 1HG1 ILE 41 -7.117 5.349 1.081 325 1HG2 ILE 41 1HG2 ILE 41 -5.485 8.305 3.037 326 2HG2 ILE 41 2HG2 ILE 41 -5.485 9.202 1.518 327 3HG2 ILE 41 3HG2 ILE 41 -4.531 7.726 1.671 328 1HD1 ILE 41 1HD1 ILE 41 -5.740 5.032 -0.613 329 2HD1 ILE 41 2HD1 ILE 41 -4.351 5.381 0.416 330 3HD1 ILE 41 3HD1 ILE 41 -5.168 6.690 -0.437 331 H LYS 42 H LYS 42 -10.027 8.513 1.813 332 HA LYS 42 HA LYS 42 -9.243 11.251 1.918 333 1HB LYS 42 2HB LYS 42 -10.895 10.658 0.317 334 2HB LYS 42 1HB LYS 42 -11.880 9.844 1.524 335 1HG LYS 42 2HG LYS 42 -12.831 11.756 2.238 336 2HG LYS 42 1HG LYS 42 -11.376 12.715 1.960 337 1HD LYS 42 2HD LYS 42 -11.807 12.754 -0.418 338 2HD LYS 42 1HD LYS 42 -13.189 11.676 -0.216 339 1HE LYS 42 2HE LYS 42 -14.539 13.326 0.538 340 2HE LYS 42 1HE LYS 42 -13.233 14.147 1.392 341 1HZ LYS 42 1HZ LYS 42 -13.604 14.194 -1.554 342 2HZ LYS 42 2HZ LYS 42 -12.460 15.069 -0.667 343 3HZ LYS 42 3HZ LYS 42 -14.108 15.421 -0.505 344 H GLU 43 H GLU 43 -10.073 9.050 4.306 345 HA GLU 43 HA GLU 43 -10.595 11.229 6.185 346 1HB GLU 43 2HB GLU 43 -12.160 8.644 6.147 347 2HB GLU 43 1HB GLU 43 -12.348 9.956 7.303 348 1HG GLU 43 2HG GLU 43 -13.136 11.428 5.553 349 2HG GLU 43 1HG GLU 43 -12.873 10.168 4.347 350 H LEU 44 H LEU 44 -9.890 7.773 5.811 351 HA LEU 44 HA LEU 44 -8.754 7.513 8.421 352 1HB LEU 44 2HB LEU 44 -9.567 5.783 6.372 353 2HB LEU 44 1HB LEU 44 -7.844 5.510 6.543 354 HG LEU 44 HG LEU 44 -9.130 3.950 7.907 355 1HD1 LEU 44 1HD1 LEU 44 -7.651 3.989 9.601 356 2HD1 LEU 44 2HD1 LEU 44 -8.003 5.669 10.012 357 3HD1 LEU 44 3HD1 LEU 44 -6.922 5.296 8.669 358 1HD2 LEU 44 1HD2 LEU 44 -11.113 4.900 8.523 359 2HD2 LEU 44 2HD2 LEU 44 -10.382 6.466 8.875 360 3HD2 LEU 44 3HD2 LEU 44 -10.195 5.131 10.011 361 H PHE 45 H PHE 45 -6.842 8.261 9.029 362 HA PHE 45 HA PHE 45 -4.916 9.194 7.117 363 1HB PHE 45 2HB PHE 45 -5.377 10.253 9.374 364 2HB PHE 45 1HB PHE 45 -4.515 8.899 10.096 365 HD1 PHE 45 1HD PHE 45 -3.810 10.924 7.049 366 HD2 PHE 45 2HD PHE 45 -2.517 9.700 10.914 367 HE1 PHE 45 1HE PHE 45 -1.678 12.104 6.705 368 HE2 PHE 45 2HE PHE 45 -0.383 10.878 10.578 369 HZ PHE 45 HZ PHE 45 0.040 12.082 8.472 370 H PHE 46 H PHE 46 -4.951 6.835 6.239 371 HA PHE 46 HA PHE 46 -3.651 4.744 7.517 372 1HB PHE 46 2HB PHE 46 -3.985 5.495 4.632 373 2HB PHE 46 1HB PHE 46 -2.988 4.113 5.073 374 HD1 PHE 46 1HD PHE 46 -6.114 4.987 3.990 375 HD2 PHE 46 2HD PHE 46 -4.243 2.583 6.962 376 HE1 PHE 46 1HE PHE 46 -8.129 3.581 4.114 377 HE2 PHE 46 2HE PHE 46 -6.257 1.171 7.092 378 HZ PHE 46 HZ PHE 46 -8.203 1.673 5.668 379 HA PRO 47 HA PRO 47 0.451 6.580 7.742 380 1HB PRO 47 2HB PRO 47 1.609 4.593 9.162 381 2HB PRO 47 1HB PRO 47 0.530 5.781 9.903 382 1HG PRO 47 2HG PRO 47 -0.054 2.984 9.020 383 2HG PRO 47 1HG PRO 47 -0.557 3.817 10.502 384 1HD PRO 47 2HD PRO 47 -2.189 3.506 8.351 385 2HD PRO 47 1HD PRO 47 -2.298 4.892 9.455 386 H VAL 48 H VAL 48 -0.269 3.290 6.712 387 HA VAL 48 HA VAL 48 1.979 3.458 4.831 388 HB VAL 48 HB VAL 48 1.192 0.864 6.127 389 1HG1 VAL 48 1HG1 VAL 48 2.643 1.259 3.929 390 2HG1 VAL 48 2HG1 VAL 48 2.985 -0.043 5.070 391 3HG1 VAL 48 3HG1 VAL 48 3.918 1.453 5.133 392 1HG2 VAL 48 1HG2 VAL 48 1.849 2.185 7.970 393 2HG2 VAL 48 2HG2 VAL 48 3.185 2.904 7.070 394 3HG2 VAL 48 3HG2 VAL 48 3.253 1.206 7.543 395 H ILE 49 H ILE 49 1.468 3.035 2.796 396 HA ILE 49 HA ILE 49 -1.107 1.721 2.229 397 HB ILE 49 HB ILE 49 0.230 3.703 0.398 398 1HG1 ILE 49 2HG1 ILE 49 -0.266 4.786 2.573 399 2HG1 ILE 49 1HG1 ILE 49 -1.256 5.423 1.265 400 1HG2 ILE 49 1HG2 ILE 49 -2.670 2.928 0.565 401 2HG2 ILE 49 2HG2 ILE 49 -1.507 2.066 -0.442 402 3HG2 ILE 49 3HG2 ILE 49 -1.836 3.772 -0.739 403 1HD1 ILE 49 1HD1 ILE 49 -2.111 3.460 3.375 404 2HD1 ILE 49 2HD1 ILE 49 -3.108 3.978 2.016 405 3HD1 ILE 49 3HD1 ILE 49 -2.599 5.149 3.232 406 H VAL 50 H VAL 50 -1.208 0.220 0.595 407 HA VAL 50 HA VAL 50 1.281 -0.449 -0.810 408 HB VAL 50 HB VAL 50 -0.439 -2.489 0.607 409 1HG1 VAL 50 1HG1 VAL 50 2.032 -2.761 -1.095 410 2HG1 VAL 50 2HG1 VAL 50 0.439 -3.459 -1.386 411 3HG1 VAL 50 3HG1 VAL 50 1.424 -4.038 -0.043 412 1HG2 VAL 50 1HG2 VAL 50 1.311 -2.756 2.168 413 2HG2 VAL 50 2HG2 VAL 50 1.044 -1.017 2.036 414 3HG2 VAL 50 3HG2 VAL 50 2.414 -1.764 1.214 415 H LEU 51 H LEU 51 0.774 -0.164 -2.866 416 HA LEU 51 HA LEU 51 -1.880 -0.935 -3.832 417 1HB LEU 51 2HB LEU 51 -1.228 1.288 -4.443 418 2HB LEU 51 1HB LEU 51 0.313 0.726 -5.062 419 HG LEU 51 HG LEU 51 -0.968 -0.550 -6.821 420 1HD1 LEU 51 1HD1 LEU 51 -3.135 -0.779 -6.103 421 2HD1 LEU 51 2HD1 LEU 51 -3.288 0.593 -7.200 422 3HD1 LEU 51 3HD1 LEU 51 -3.210 0.861 -5.459 423 1HD2 LEU 51 1HD2 LEU 51 -0.712 2.384 -6.595 424 2HD2 LEU 51 2HD2 LEU 51 -1.731 1.779 -7.901 425 3HD2 LEU 51 3HD2 LEU 51 -0.047 1.272 -7.792 426 H ASP 52 H ASP 52 -1.735 -3.145 -4.016 427 HA ASP 52 HA ASP 52 0.446 -4.421 -5.394 428 1HB ASP 52 2HB ASP 52 -0.731 -5.593 -3.593 429 2HB ASP 52 1HB ASP 52 -2.236 -5.507 -4.501 430 H VAL 53 H VAL 53 0.515 -3.560 -7.445 431 HA VAL 53 HA VAL 53 -1.681 -3.208 -9.153 432 HB VAL 53 HB VAL 53 -0.055 -2.988 -10.957 433 1HG1 VAL 53 1HG1 VAL 53 1.117 -1.110 -10.121 434 2HG1 VAL 53 2HG1 VAL 53 1.107 -1.747 -8.476 435 3HG1 VAL 53 3HG1 VAL 53 -0.395 -1.195 -9.217 436 1HG2 VAL 53 1HG2 VAL 53 1.829 -4.166 -10.981 437 2HG2 VAL 53 2HG2 VAL 53 1.488 -4.767 -9.359 438 3HG2 VAL 53 3HG2 VAL 53 2.405 -3.277 -9.572 439 H TRP 54 H TRP 54 -2.872 -5.219 -8.849 440 HA TRP 54 HA TRP 54 -1.746 -7.659 -9.887 441 1HB TRP 54 2HB TRP 54 -3.399 -7.626 -8.028 442 2HB TRP 54 1HB TRP 54 -4.620 -7.044 -9.151 443 HD1 TRP 54 HD TRP 54 -3.577 -9.170 -11.522 444 HE1 TRP 54 1HE TRP 54 -4.374 -11.599 -11.304 445 HE3 TRP 54 3HE TRP 54 -4.806 -9.181 -6.559 446 HZ2 TRP 54 2HZ TRP 54 -5.388 -13.306 -9.297 447 HZ3 TRP 54 3HZ TRP 54 -5.683 -11.256 -5.568 448 HH2 TRP 54 HH TRP 54 -5.967 -13.275 -6.911 449 H MET 55 H MET 55 -4.975 -6.632 -10.855 450 HA MET 55 HA MET 55 -4.080 -6.232 -13.602 451 1HB MET 55 2HB MET 55 -4.923 -8.702 -12.909 452 2HB MET 55 1HB MET 55 -6.465 -7.965 -13.319 453 1HG MET 55 2HG MET 55 -5.445 -7.287 -15.509 454 2HG MET 55 1HG MET 55 -4.058 -8.291 -15.086 455 1HE MET 55 1HE MET 55 -3.724 -9.987 -16.253 456 2HE MET 55 2HE MET 55 -4.835 -11.101 -17.049 457 3HE MET 55 3HE MET 55 -4.386 -11.358 -15.363 458 HA PRO 56 HA PRO 56 -7.686 -3.554 -12.373 459 1HB PRO 56 2HB PRO 56 -6.182 -1.253 -11.822 460 2HB PRO 56 1HB PRO 56 -6.864 -2.359 -10.630 461 1HG PRO 56 2HG PRO 56 -4.129 -1.913 -11.173 462 2HG PRO 56 1HG PRO 56 -4.818 -3.168 -10.132 463 1HD PRO 56 2HD PRO 56 -3.852 -3.351 -12.938 464 2HD PRO 56 1HD PRO 56 -3.866 -4.583 -11.660 465 H ASP 57 H ASP 57 -7.523 -0.837 -13.037 466 HA ASP 57 HA ASP 57 -6.434 -0.582 -15.698 467 1HB ASP 57 2HB ASP 57 -8.587 -1.785 -16.055 468 2HB ASP 57 1HB ASP 57 -9.426 -0.423 -15.321 469 H GLY 58 H GLY 58 -6.245 0.747 -13.068 470 1HA GLY 58 2HA GLY 58 -7.187 3.434 -13.858 471 2HA GLY 58 1HA GLY 58 -7.053 2.904 -12.189 472 H ASP 59 H ASP 59 -5.829 5.204 -13.550 473 HA ASP 59 HA ASP 59 -3.077 4.720 -13.987 474 1HB ASP 59 2HB ASP 59 -4.516 7.273 -13.236 475 2HB ASP 59 1HB ASP 59 -2.842 7.185 -13.777 476 H GLY 60 H GLY 60 -2.508 3.386 -12.172 477 1HA GLY 60 2HA GLY 60 -2.722 4.144 -9.487 478 2HA GLY 60 1HA GLY 60 -1.518 3.037 -10.130 479 H VAL 61 H VAL 61 -0.251 4.911 -11.884 480 HA VAL 61 HA VAL 61 1.651 6.012 -10.149 481 HB VAL 61 HB VAL 61 1.090 6.773 -13.021 482 1HG1 VAL 61 1HG1 VAL 61 3.442 7.200 -11.209 483 2HG1 VAL 61 2HG1 VAL 61 2.523 8.397 -12.122 484 3HG1 VAL 61 3HG1 VAL 61 3.577 7.263 -12.967 485 1HG2 VAL 61 1HG2 VAL 61 2.900 4.640 -11.891 486 2HG2 VAL 61 2HG2 VAL 61 2.811 5.115 -13.587 487 3HG2 VAL 61 3HG2 VAL 61 1.415 4.374 -12.804 488 H ASN 62 H ASN 62 -1.127 7.434 -11.811 489 HA ASN 62 HA ASN 62 -0.576 10.108 -11.005 490 1HB ASN 62 2HB ASN 62 -2.013 10.290 -12.740 491 2HB ASN 62 1HB ASN 62 -2.679 8.684 -12.474 492 1HD2 ASN 62 1HD2 ASN 62 -4.228 8.484 -10.678 493 2HD2 ASN 62 2HD2 ASN 62 -5.314 9.795 -10.391 494 H PHE 63 H PHE 63 -1.798 7.390 -9.379 495 HA PHE 63 HA PHE 63 -3.390 8.859 -7.465 496 1HB PHE 63 2HB PHE 63 -4.104 6.622 -8.052 497 2HB PHE 63 1HB PHE 63 -2.538 5.960 -7.597 498 HD1 PHE 63 1HD PHE 63 -4.977 8.250 -5.938 499 HD2 PHE 63 2HD PHE 63 -2.690 4.669 -5.715 500 HE1 PHE 63 1HE PHE 63 -5.807 7.865 -3.654 501 HE2 PHE 63 2HE PHE 63 -3.515 4.278 -3.431 502 HZ PHE 63 HZ PHE 63 -5.077 5.879 -2.398 503 H ILE 64 H ILE 64 -0.148 7.591 -7.733 504 HA ILE 64 HA ILE 64 0.695 7.428 -5.124 505 HB ILE 64 HB ILE 64 2.409 8.757 -7.212 506 1HG1 ILE 64 2HG1 ILE 64 1.545 6.904 -8.412 507 2HG1 ILE 64 1HG1 ILE 64 3.109 6.377 -7.808 508 1HG2 ILE 64 1HG2 ILE 64 4.118 7.233 -6.023 509 2HG2 ILE 64 2HG2 ILE 64 2.897 7.123 -4.755 510 3HG2 ILE 64 3HG2 ILE 64 3.563 8.694 -5.204 511 1HD1 ILE 64 1HD1 ILE 64 0.408 5.668 -6.698 512 2HD1 ILE 64 2HD1 ILE 64 1.945 5.223 -5.958 513 3HD1 ILE 64 3HD1 ILE 64 1.526 4.607 -7.556 514 H ASP 65 H ASP 65 -0.003 10.298 -6.984 515 HA ASP 65 HA ASP 65 1.240 12.126 -5.166 516 1HB ASP 65 2HB ASP 65 0.692 12.528 -7.641 517 2HB ASP 65 1HB ASP 65 -0.962 12.817 -7.111 518 H PHE 66 H PHE 66 -2.137 11.131 -5.762 519 HA PHE 66 HA PHE 66 -3.456 12.742 -3.979 520 1HB PHE 66 2HB PHE 66 -4.676 11.247 -5.423 521 2HB PHE 66 1HB PHE 66 -3.949 9.836 -4.665 522 HD1 PHE 66 1HD PHE 66 -4.495 9.403 -2.208 523 HD2 PHE 66 2HD PHE 66 -6.699 12.095 -4.659 524 HE1 PHE 66 1HE PHE 66 -6.394 9.261 -0.652 525 HE2 PHE 66 2HE PHE 66 -8.602 11.956 -3.106 526 HZ PHE 66 HZ PHE 66 -8.452 10.537 -1.099 527 H ILE 67 H ILE 67 -1.747 9.713 -3.302 528 HA ILE 67 HA ILE 67 -2.408 9.496 -0.586 529 HB ILE 67 HB ILE 67 0.057 8.557 -2.066 530 1HG1 ILE 67 2HG1 ILE 67 -1.392 6.345 -1.387 531 2HG1 ILE 67 1HG1 ILE 67 -2.673 7.521 -1.665 532 1HG2 ILE 67 1HG2 ILE 67 0.907 8.343 0.017 533 2HG2 ILE 67 2HG2 ILE 67 -0.103 6.897 0.049 534 3HG2 ILE 67 3HG2 ILE 67 -0.679 8.391 0.786 535 1HD1 ILE 67 1HD1 ILE 67 -0.765 7.702 -3.776 536 2HD1 ILE 67 2HD1 ILE 67 -2.470 7.259 -3.847 537 3HD1 ILE 67 3HD1 ILE 67 -1.248 6.020 -3.562 538 H LYS 68 H LYS 68 0.378 11.036 -2.172 539 HA LYS 68 HA LYS 68 1.441 12.021 0.302 540 1HB LYS 68 2HB LYS 68 3.211 12.878 -0.952 541 2HB LYS 68 1HB LYS 68 2.724 11.452 -1.855 542 1HG LYS 68 2HG LYS 68 2.506 12.694 -3.660 543 2HG LYS 68 1HG LYS 68 1.224 13.608 -2.866 544 1HD LYS 68 2HD LYS 68 2.631 15.315 -2.253 545 2HD LYS 68 1HD LYS 68 4.056 14.273 -2.232 546 1HE LYS 68 2HE LYS 68 2.663 14.809 -4.818 547 2HE LYS 68 1HE LYS 68 3.721 16.043 -4.136 548 1HZ LYS 68 1HZ LYS 68 5.565 14.657 -4.298 549 2HZ LYS 68 2HZ LYS 68 4.732 14.364 -5.740 550 3HZ LYS 68 3HZ LYS 68 4.635 13.254 -4.468 551 H GLU 69 H GLU 69 -0.990 13.042 -1.835 552 HA GLU 69 HA GLU 69 -0.780 15.852 -1.437 553 1HB GLU 69 2HB GLU 69 -1.955 14.664 -3.347 554 2HB GLU 69 1HB GLU 69 -3.260 14.345 -2.217 555 1HG GLU 69 2HG GLU 69 -3.923 16.528 -2.139 556 2HG GLU 69 1HG GLU 69 -2.317 17.143 -2.533 557 H ASN 70 H ASN 70 -2.807 13.308 -0.050 558 HA ASN 70 HA ASN 70 -3.561 15.170 2.105 559 1HB ASN 70 2HB ASN 70 -5.369 13.109 2.294 560 2HB ASN 70 1HB ASN 70 -5.659 14.637 1.468 561 1HD2 ASN 70 1HD2 ASN 70 -4.692 14.616 -0.849 562 2HD2 ASN 70 2HD2 ASN 70 -5.081 13.226 -1.793 563 H SER 71 H SER 71 -1.277 13.090 1.664 564 HA SER 71 HA SER 71 -1.175 12.267 4.410 565 1HB SER 71 2HB SER 71 -2.130 10.413 2.383 566 2HB SER 71 1HB SER 71 -0.682 9.808 3.184 567 HG SER 71 HG SER 71 -1.723 10.015 5.157 568 HA PRO 72 HA PRO 72 2.873 12.888 2.184 569 1HB PRO 72 2HB PRO 72 3.412 15.093 3.975 570 2HB PRO 72 1HB PRO 72 3.258 15.116 2.219 571 1HG PRO 72 2HG PRO 72 1.457 16.274 3.924 572 2HG PRO 72 1HG PRO 72 1.055 15.708 2.295 573 1HD PRO 72 2HD PRO 72 0.559 14.397 4.936 574 2HD PRO 72 1HD PRO 72 -0.477 14.463 3.495 575 H ASP 73 H ASP 73 1.793 12.472 5.374 576 HA ASP 73 HA ASP 73 4.481 11.777 6.329 577 1HB ASP 73 2HB ASP 73 2.947 13.402 7.605 578 2HB ASP 73 1HB ASP 73 2.035 11.967 8.061 579 H SER 74 H SER 74 2.803 10.122 4.540 580 HA SER 74 HA SER 74 2.381 7.793 6.290 581 1HB SER 74 2HB SER 74 0.357 8.561 5.097 582 2HB SER 74 1HB SER 74 1.190 8.335 3.560 583 HG SER 74 HG SER 74 -0.070 6.523 4.034 584 H VAL 75 H VAL 75 2.329 5.823 4.362 585 HA VAL 75 HA VAL 75 5.021 5.947 3.174 586 HB VAL 75 HB VAL 75 3.907 3.470 4.488 587 1HG1 VAL 75 1HG1 VAL 75 5.824 3.690 2.563 588 2HG1 VAL 75 2HG1 VAL 75 5.735 2.389 3.748 589 3HG1 VAL 75 3HG1 VAL 75 6.791 3.772 4.033 590 1HG2 VAL 75 1HG2 VAL 75 4.363 4.593 6.395 591 2HG2 VAL 75 2HG2 VAL 75 5.422 5.749 5.588 592 3HG2 VAL 75 3HG2 VAL 75 6.025 4.146 6.011 593 H VAL 76 H VAL 76 5.301 5.069 1.240 594 HA VAL 76 HA VAL 76 3.003 3.712 -0.022 595 HB VAL 76 HB VAL 76 4.791 5.541 -1.592 596 1HG1 VAL 76 1HG1 VAL 76 2.800 3.756 -2.297 597 2HG1 VAL 76 2HG1 VAL 76 3.462 5.041 -3.307 598 3HG1 VAL 76 3HG1 VAL 76 2.004 5.328 -2.357 599 1HG2 VAL 76 1HG2 VAL 76 2.513 6.271 0.183 600 2HG2 VAL 76 2HG2 VAL 76 2.714 7.130 -1.344 601 3HG2 VAL 76 3HG2 VAL 76 4.009 7.144 -0.147 602 H ILE 77 H ILE 77 3.943 1.686 0.256 603 HA ILE 77 HA ILE 77 6.602 1.146 -0.712 604 HB ILE 77 HB ILE 77 4.464 -0.833 0.083 605 1HG1 ILE 77 2HG1 ILE 77 4.936 0.731 1.913 606 2HG1 ILE 77 1HG1 ILE 77 5.570 -0.871 2.279 607 1HG2 ILE 77 1HG2 ILE 77 6.383 -1.684 -1.276 608 2HG2 ILE 77 2HG2 ILE 77 6.233 -2.415 0.321 609 3HG2 ILE 77 3HG2 ILE 77 7.456 -1.178 0.029 610 1HD1 ILE 77 1HD1 ILE 77 7.762 0.159 1.219 611 2HD1 ILE 77 2HD1 ILE 77 7.342 0.392 2.915 612 3HD1 ILE 77 3HD1 ILE 77 7.003 1.663 1.740 613 H VAL 78 H VAL 78 3.292 0.475 -1.786 614 HA VAL 78 HA VAL 78 2.466 -0.390 -3.742 615 HB VAL 78 HB VAL 78 4.680 1.329 -4.884 616 1HG1 VAL 78 1HG1 VAL 78 2.082 0.449 -6.144 617 2HG1 VAL 78 2HG1 VAL 78 3.666 -0.236 -6.509 618 3HG1 VAL 78 3HG1 VAL 78 3.327 1.454 -6.886 619 1HG2 VAL 78 1HG2 VAL 78 2.044 2.483 -4.957 620 2HG2 VAL 78 2HG2 VAL 78 3.532 3.127 -4.264 621 3HG2 VAL 78 3HG2 VAL 78 2.495 2.073 -3.303 622 H ILE 79 H ILE 79 2.992 -2.570 -3.509 623 HA ILE 79 HA ILE 79 5.488 -3.490 -4.739 624 HB ILE 79 HB ILE 79 3.580 -5.397 -3.466 625 1HG1 ILE 79 2HG1 ILE 79 5.460 -3.657 -1.862 626 2HG1 ILE 79 1HG1 ILE 79 3.715 -3.441 -1.922 627 1HG2 ILE 79 1HG2 ILE 79 5.384 -6.592 -4.139 628 2HG2 ILE 79 2HG2 ILE 79 6.004 -6.077 -2.572 629 3HG2 ILE 79 3HG2 ILE 79 6.476 -5.212 -4.035 630 1HD1 ILE 79 1HD1 ILE 79 3.663 -4.754 -0.130 631 2HD1 ILE 79 2HD1 ILE 79 5.313 -5.318 -0.389 632 3HD1 ILE 79 3HD1 ILE 79 3.975 -6.084 -1.244 633 H THR 80 H THR 80 5.049 -5.808 -5.844 634 HA THR 80 HA THR 80 4.065 -7.022 -7.508 635 HB THR 80 HB THR 80 1.728 -5.112 -7.446 636 HG1 THR 80 1HG THR 80 1.850 -5.818 -5.381 637 1HG2 THR 80 1HG2 THR 80 0.428 -6.889 -8.279 638 2HG2 THR 80 2HG2 THR 80 1.734 -8.051 -8.043 639 3HG2 THR 80 3HG2 THR 80 1.873 -6.808 -9.286 640 H GLY 81 H GLY 81 3.895 -6.928 -9.787 641 1HA GLY 81 2HA GLY 81 3.780 -4.501 -11.246 642 2HA GLY 81 1HA GLY 81 5.452 -4.995 -11.037 643 H HIS 82 H HIS 82 6.284 -6.386 -12.462 644 HA HIS 82 HA HIS 82 4.733 -8.421 -13.732 645 1HB HIS 82 2HB HIS 82 4.050 -6.408 -15.036 646 2HB HIS 82 1HB HIS 82 5.734 -6.173 -15.490 647 HD1 HIS 82 1HD HIS 82 6.785 -8.017 -17.072 648 HD2 HIS 82 2HD HIS 82 2.673 -8.269 -16.528 649 HE1 HIS 82 1HE HIS 82 5.958 -9.537 -18.897 650 HE2 HIS 82 2HE HIS 82 3.457 -9.611 -18.596 651 H GLY 83 H GLY 83 7.549 -6.465 -14.723 652 1HA GLY 83 2HA GLY 83 9.285 -8.766 -14.194 653 2HA GLY 83 1HA GLY 83 9.231 -8.143 -15.836 654 H SER 84 H SER 84 9.899 -5.920 -16.187 655 HA SER 84 HA SER 84 12.311 -5.315 -14.840 656 1HB SER 84 2HB SER 84 11.955 -4.683 -17.177 657 2HB SER 84 1HB SER 84 10.645 -3.601 -16.702 658 HG SER 84 HG SER 84 13.006 -2.829 -17.003 659 H VAL 85 H VAL 85 12.675 -2.954 -14.043 660 HA VAL 85 HA VAL 85 10.681 -2.477 -11.947 661 HB VAL 85 HB VAL 85 12.493 -1.049 -10.925 662 1HG1 VAL 85 1HG1 VAL 85 13.485 -3.848 -11.287 663 2HG1 VAL 85 2HG1 VAL 85 11.959 -3.540 -10.459 664 3HG1 VAL 85 3HG1 VAL 85 13.458 -2.851 -9.832 665 1HG2 VAL 85 1HG2 VAL 85 14.547 -2.446 -12.508 666 2HG2 VAL 85 2HG2 VAL 85 14.537 -0.809 -11.850 667 3HG2 VAL 85 3HG2 VAL 85 13.676 -1.163 -13.348 668 H ASP 86 H ASP 86 10.232 -1.588 -14.663 669 HA ASP 86 HA ASP 86 10.775 1.224 -14.795 670 1HB ASP 86 2HB ASP 86 9.243 1.156 -16.774 671 2HB ASP 86 1HB ASP 86 10.569 0.001 -16.863 672 H THR 87 H THR 87 8.024 -0.771 -13.836 673 HA THR 87 HA THR 87 6.252 1.463 -13.529 674 HB THR 87 HB THR 87 5.714 -1.116 -13.820 675 HG1 THR 87 1HG THR 87 4.161 0.474 -12.068 676 1HG2 THR 87 1HG2 THR 87 6.777 -1.756 -11.644 677 2HG2 THR 87 2HG2 THR 87 5.100 -2.265 -11.838 678 3HG2 THR 87 3HG2 THR 87 5.487 -0.869 -10.832 679 H ALA 88 H ALA 88 8.503 -0.286 -11.540 680 HA ALA 88 HA ALA 88 7.741 0.659 -9.014 681 1HB ALA 88 1HB ALA 88 10.087 0.139 -8.371 682 2HB ALA 88 2HB ALA 88 10.447 -0.149 -10.072 683 3HB ALA 88 3HB ALA 88 9.289 -1.177 -9.230 684 H VAL 89 H VAL 89 10.363 1.776 -11.126 685 HA VAL 89 HA VAL 89 11.005 4.069 -9.676 686 HB VAL 89 HB VAL 89 12.211 4.826 -11.619 687 1HG1 VAL 89 1HG1 VAL 89 12.308 2.010 -10.792 688 2HG1 VAL 89 2HG1 VAL 89 13.585 3.226 -10.843 689 3HG1 VAL 89 3HG1 VAL 89 13.122 2.371 -12.315 690 1HG2 VAL 89 1HG2 VAL 89 11.407 4.587 -13.676 691 2HG2 VAL 89 2HG2 VAL 89 10.107 3.570 -13.057 692 3HG2 VAL 89 3HG2 VAL 89 11.628 2.841 -13.566 693 H LYS 90 H LYS 90 8.408 3.444 -11.905 694 HA LYS 90 HA LYS 90 7.819 6.211 -12.412 695 1HB LYS 90 2HB LYS 90 7.243 4.443 -14.026 696 2HB LYS 90 1HB LYS 90 6.122 3.752 -12.862 697 1HG LYS 90 2HG LYS 90 4.658 5.583 -13.027 698 2HG LYS 90 1HG LYS 90 5.863 6.574 -13.850 699 1HD LYS 90 2HD LYS 90 4.970 4.012 -15.098 700 2HD LYS 90 1HD LYS 90 3.931 5.434 -15.203 701 1HE LYS 90 2HE LYS 90 6.450 6.388 -15.854 702 2HE LYS 90 1HE LYS 90 6.375 4.809 -16.634 703 1HZ LYS 90 1HZ LYS 90 5.419 6.079 -18.234 704 2HZ LYS 90 2HZ LYS 90 4.794 7.213 -17.146 705 3HZ LYS 90 3HZ LYS 90 4.025 5.721 -17.343 706 H ALA 91 H ALA 91 7.458 4.323 -9.710 707 HA ALA 91 HA ALA 91 5.140 5.898 -8.799 708 1HB ALA 91 1HB ALA 91 5.065 3.837 -7.098 709 2HB ALA 91 2HB ALA 91 5.778 3.026 -8.493 710 3HB ALA 91 3HB ALA 91 4.218 3.836 -8.645 711 H ILE 92 H ILE 92 8.254 4.480 -7.905 712 HA ILE 92 HA ILE 92 8.252 5.653 -5.287 713 HB ILE 92 HB ILE 92 10.383 4.722 -4.957 714 1HG1 ILE 92 2HG1 ILE 92 10.620 4.520 -7.966 715 2HG1 ILE 92 1HG1 ILE 92 11.532 5.597 -6.914 716 1HG2 ILE 92 1HG2 ILE 92 10.170 2.397 -5.951 717 2HG2 ILE 92 2HG2 ILE 92 8.725 2.991 -6.766 718 3HG2 ILE 92 3HG2 ILE 92 8.802 2.983 -5.007 719 1HD1 ILE 92 1HD1 ILE 92 12.708 3.764 -5.943 720 2HD1 ILE 92 2HD1 ILE 92 12.791 3.604 -7.698 721 3HD1 ILE 92 3HD1 ILE 92 11.678 2.598 -6.774 722 H LYS 93 H LYS 93 9.757 6.419 -8.392 723 HA LYS 93 HA LYS 93 11.379 8.530 -7.554 724 1HB LYS 93 2HB LYS 93 11.223 7.362 -9.858 725 2HB LYS 93 1HB LYS 93 9.966 8.541 -10.208 726 1HG LYS 93 2HG LYS 93 11.435 10.206 -10.489 727 2HG LYS 93 1HG LYS 93 12.428 9.693 -9.122 728 1HD LYS 93 2HD LYS 93 13.547 8.062 -10.443 729 2HD LYS 93 1HD LYS 93 12.399 8.255 -11.769 730 1HE LYS 93 2HE LYS 93 14.214 10.452 -10.792 731 2HE LYS 93 1HE LYS 93 14.627 9.360 -12.114 732 1HZ LYS 93 1HZ LYS 93 13.670 10.961 -13.343 733 2HZ LYS 93 2HZ LYS 93 12.758 11.578 -12.058 734 3HZ LYS 93 3HZ LYS 93 12.225 10.207 -12.891 735 H LYS 94 H LYS 94 7.949 8.361 -8.101 736 HA LYS 94 HA LYS 94 7.440 11.140 -8.298 737 1HB LYS 94 2HB LYS 94 5.634 8.902 -7.371 738 2HB LYS 94 1HB LYS 94 5.104 10.529 -7.769 739 1HG LYS 94 2HG LYS 94 6.636 9.101 -9.849 740 2HG LYS 94 1HG LYS 94 5.018 8.492 -9.494 741 1HD LYS 94 2HD LYS 94 5.645 11.373 -10.123 742 2HD LYS 94 1HD LYS 94 5.097 10.195 -11.317 743 1HE LYS 94 2HE LYS 94 3.059 10.989 -10.768 744 2HE LYS 94 1HE LYS 94 3.213 9.858 -9.424 745 1HZ LYS 94 1HZ LYS 94 4.378 12.456 -8.941 746 2HZ LYS 94 2HZ LYS 94 3.380 11.515 -7.951 747 3HZ LYS 94 3HZ LYS 94 2.702 12.481 -9.162 748 H GLY 95 H GLY 95 6.801 8.920 -5.574 749 1HA GLY 95 2HA GLY 95 7.996 10.593 -3.636 750 2HA GLY 95 1HA GLY 95 6.269 10.904 -3.682 751 H ALA 96 H ALA 96 7.493 7.704 -4.366 752 HA ALA 96 HA ALA 96 6.112 6.730 -2.000 753 1HB ALA 96 1HB ALA 96 5.742 4.839 -3.144 754 2HB ALA 96 2HB ALA 96 7.417 4.727 -3.682 755 3HB ALA 96 3HB ALA 96 6.277 5.754 -4.552 756 H TYR 97 H TYR 97 7.380 4.517 -1.244 757 HA TYR 97 HA TYR 97 9.843 5.564 -0.097 758 1HB TYR 97 2HB TYR 97 8.226 4.675 1.476 759 2HB TYR 97 1HB TYR 97 8.181 3.144 0.612 760 HD1 TYR 97 1HD TYR 97 10.657 5.382 2.300 761 HD2 TYR 97 2HD TYR 97 9.430 1.397 1.455 762 HE1 TYR 97 1HE TYR 97 12.458 4.528 3.739 763 HE2 TYR 97 2HE TYR 97 11.227 0.532 2.893 764 HH TYR 97 HH TYR 97 13.741 2.546 4.107 765 H GLU 98 H GLU 98 8.758 3.277 -2.377 766 HA GLU 98 HA GLU 98 10.822 2.762 -3.904 767 1HB GLU 98 2HB GLU 98 12.137 0.870 -2.982 768 2HB GLU 98 1HB GLU 98 12.352 2.345 -2.059 769 1HG GLU 98 2HG GLU 98 10.793 1.515 -0.370 770 2HG GLU 98 1HG GLU 98 10.569 0.038 -1.305 771 H PHE 99 H PHE 99 11.093 0.031 -4.225 772 HA PHE 99 HA PHE 99 8.312 -0.926 -4.381 773 1HB PHE 99 2HB PHE 99 9.988 -0.272 -6.532 774 2HB PHE 99 1HB PHE 99 9.990 -2.029 -6.465 775 HD1 PHE 99 1HD PHE 99 8.437 -3.081 -7.765 776 HD2 PHE 99 2HD PHE 99 7.508 0.750 -6.161 777 HE1 PHE 99 1HE PHE 99 6.270 -3.124 -8.930 778 HE2 PHE 99 2HE PHE 99 5.339 0.713 -7.324 779 HZ PHE 99 HZ PHE 99 4.717 -1.225 -8.708 780 H LEU 100 H LEU 100 8.199 -2.515 -2.913 781 HA LEU 100 HA LEU 100 10.305 -4.040 -1.935 782 1HB LEU 100 2HB LEU 100 7.682 -3.770 -1.315 783 2HB LEU 100 1HB LEU 100 7.672 -5.364 -2.042 784 HG LEU 100 HG LEU 100 7.940 -5.757 0.248 785 1HD1 LEU 100 1HD1 LEU 100 9.740 -6.701 -1.441 786 2HD1 LEU 100 2HD1 LEU 100 9.830 -7.023 0.290 787 3HD1 LEU 100 3HD1 LEU 100 10.830 -5.759 -0.424 788 1HD2 LEU 100 1HD2 LEU 100 10.000 -3.557 0.241 789 2HD2 LEU 100 2HD2 LEU 100 9.652 -4.601 1.618 790 3HD2 LEU 100 3HD2 LEU 100 8.407 -3.518 0.996 791 H GLU 101 H GLU 101 11.601 -4.861 -3.568 792 HA GLU 101 HA GLU 101 10.724 -6.275 -5.818 793 1HB GLU 101 2HB GLU 101 13.072 -7.267 -5.763 794 2HB GLU 101 1HB GLU 101 12.957 -5.515 -5.841 795 1HG GLU 101 2HG GLU 101 13.619 -5.247 -3.628 796 2HG GLU 101 1HG GLU 101 13.256 -6.923 -3.219 797 H LYS 102 H LYS 102 9.104 -7.726 -5.200 798 HA LYS 102 HA LYS 102 9.888 -10.356 -4.721 799 1HB LYS 102 2HB LYS 102 9.388 -8.759 -2.304 800 2HB LYS 102 1HB LYS 102 8.479 -10.262 -2.371 801 1HG LYS 102 2HG LYS 102 10.981 -11.075 -3.109 802 2HG LYS 102 1HG LYS 102 11.327 -9.806 -1.932 803 1HD LYS 102 2HD LYS 102 11.140 -11.630 -0.549 804 2HD LYS 102 1HD LYS 102 9.478 -11.038 -0.533 805 1HE LYS 102 2HE LYS 102 9.372 -13.389 -0.855 806 2HE LYS 102 1HE LYS 102 8.995 -12.638 -2.404 807 1HZ LYS 102 1HZ LYS 102 10.865 -13.429 -3.346 808 2HZ LYS 102 2HZ LYS 102 10.752 -14.601 -2.132 809 3HZ LYS 102 3HZ LYS 102 11.791 -13.281 -1.938 810 HA PRO 103 HA PRO 103 5.620 -9.485 -6.420 811 1HB PRO 103 2HB PRO 103 5.910 -11.311 -8.459 812 2HB PRO 103 1HB PRO 103 6.288 -9.590 -8.598 813 1HG PRO 103 2HG PRO 103 8.123 -11.897 -8.087 814 2HG PRO 103 1HG PRO 103 8.361 -10.486 -9.136 815 1HD PRO 103 2HD PRO 103 9.516 -10.644 -6.718 816 2HD PRO 103 1HD PRO 103 8.912 -9.102 -7.358 817 H PHE 104 H PHE 104 7.342 -12.155 -5.213 818 HA PHE 104 HA PHE 104 4.891 -13.771 -5.055 819 1HB PHE 104 2HB PHE 104 7.805 -14.547 -4.952 820 2HB PHE 104 1HB PHE 104 6.517 -15.647 -4.475 821 HD1 PHE 104 1HD PHE 104 8.028 -13.824 -7.282 822 HD2 PHE 104 2HD PHE 104 5.119 -16.697 -6.100 823 HE1 PHE 104 1HE PHE 104 7.746 -14.499 -9.632 824 HE2 PHE 104 2HE PHE 104 4.832 -17.378 -8.447 825 HZ PHE 104 HZ PHE 104 6.146 -16.279 -10.217 826 H SER 105 H SER 105 3.868 -13.409 -3.197 827 HA SER 105 HA SER 105 3.432 -13.256 -0.973 828 1HB SER 105 2HB SER 105 4.686 -15.358 -0.802 829 2HB SER 105 1HB SER 105 6.194 -14.455 -0.667 830 HG SER 105 HG SER 105 4.033 -14.132 1.134 831 H VAL 106 H VAL 106 3.672 -11.813 0.726 832 HA VAL 106 HA VAL 106 5.655 -9.690 0.258 833 HB VAL 106 HB VAL 106 4.172 -8.180 1.423 834 1HG1 VAL 106 1HG1 VAL 106 2.639 -9.835 -0.577 835 2HG1 VAL 106 2HG1 VAL 106 3.779 -8.545 -0.961 836 3HG1 VAL 106 3HG1 VAL 106 2.280 -8.172 -0.110 837 1HG2 VAL 106 1HG2 VAL 106 1.773 -9.470 1.793 838 2HG2 VAL 106 2HG2 VAL 106 2.926 -9.050 3.061 839 3HG2 VAL 106 3HG2 VAL 106 2.953 -10.659 2.342 840 H GLU 107 H GLU 107 6.510 -12.008 1.590 841 HA GLU 107 HA GLU 107 6.386 -11.727 4.414 842 1HB GLU 107 2HB GLU 107 7.130 -13.736 2.827 843 2HB GLU 107 1HB GLU 107 8.719 -13.055 3.150 844 1HG GLU 107 2HG GLU 107 7.990 -13.159 5.627 845 2HG GLU 107 1HG GLU 107 6.777 -14.298 5.043 846 H ARG 108 H ARG 108 8.909 -10.997 2.011 847 HA ARG 108 HA ARG 108 10.696 -9.753 3.791 848 1HB ARG 108 2HB ARG 108 10.716 -10.395 1.109 849 2HB ARG 108 1HB ARG 108 10.672 -8.638 1.076 850 1HG ARG 108 2HG ARG 108 12.821 -8.514 1.596 851 2HG ARG 108 1HG ARG 108 12.591 -9.543 3.011 852 1HD ARG 108 2HD ARG 108 12.882 -11.523 1.703 853 2HD ARG 108 1HD ARG 108 12.865 -10.598 0.202 854 HE ARG 108 HE ARG 108 14.960 -9.544 1.543 855 1HH1 ARG 108 1HH1 ARG 108 14.057 -12.818 0.736 856 2HH1 ARG 108 2HH1 ARG 108 15.693 -13.380 0.652 857 1HH2 ARG 108 1HH2 ARG 108 17.111 -10.282 1.432 858 2HH2 ARG 108 2HH2 ARG 108 17.427 -11.941 1.048 859 H PHE 109 H PHE 109 7.854 -8.668 2.105 860 HA PHE 109 HA PHE 109 8.118 -5.894 2.327 861 1HB PHE 109 2HB PHE 109 6.345 -6.621 0.974 862 2HB PHE 109 1HB PHE 109 5.789 -7.783 2.166 863 HD1 PHE 109 1HD PHE 109 5.907 -4.189 1.336 864 HD2 PHE 109 2HD PHE 109 4.142 -7.210 3.759 865 HE1 PHE 109 1HE PHE 109 4.209 -2.581 2.095 866 HE2 PHE 109 2HE PHE 109 2.438 -5.606 4.520 867 HZ PHE 109 HZ PHE 109 2.472 -3.288 3.690 868 H LEU 110 H LEU 110 6.911 -8.333 4.562 869 HA LEU 110 HA LEU 110 5.840 -6.832 6.590 870 1HB LEU 110 2HB LEU 110 6.448 -9.434 6.252 871 2HB LEU 110 1HB LEU 110 7.633 -8.989 7.462 872 HG LEU 110 HG LEU 110 4.699 -8.425 7.811 873 1HD1 LEU 110 1HD1 LEU 110 4.571 -10.457 9.143 874 2HD1 LEU 110 2HD1 LEU 110 6.238 -10.848 8.725 875 3HD1 LEU 110 3HD1 LEU 110 4.998 -10.825 7.473 876 1HD2 LEU 110 1HD2 LEU 110 6.801 -7.446 9.178 877 2HD2 LEU 110 2HD2 LEU 110 6.514 -8.934 10.078 878 3HD2 LEU 110 3HD2 LEU 110 5.222 -7.748 9.900 879 H LEU 111 H LEU 111 9.258 -7.674 6.156 880 HA LEU 111 HA LEU 111 10.302 -6.485 8.429 881 1HB LEU 111 2HB LEU 111 11.443 -6.973 5.707 882 2HB LEU 111 1HB LEU 111 12.389 -6.181 6.952 883 HG LEU 111 HG LEU 111 12.119 -8.160 8.401 884 1HD1 LEU 111 1HD1 LEU 111 10.581 -9.182 6.036 885 2HD1 LEU 111 2HD1 LEU 111 10.093 -9.125 7.729 886 3HD1 LEU 111 3HD1 LEU 111 11.331 -10.267 7.206 887 1HD2 LEU 111 1HD2 LEU 111 13.870 -7.807 6.391 888 2HD2 LEU 111 2HD2 LEU 111 13.149 -9.340 5.904 889 3HD2 LEU 111 3HD2 LEU 111 13.908 -9.188 7.488 890 H THR 112 H THR 112 9.754 -5.034 5.234 891 HA THR 112 HA THR 112 10.825 -2.500 5.903 892 HB THR 112 HB THR 112 8.833 -3.275 3.762 893 HG1 THR 112 1HG THR 112 10.747 -3.164 2.450 894 1HG2 THR 112 1HG2 THR 112 10.186 -1.169 2.746 895 2HG2 THR 112 2HG2 THR 112 10.033 -0.688 4.436 896 3HG2 THR 112 3HG2 THR 112 8.592 -1.067 3.494 897 H ILE 113 H ILE 113 7.568 -3.853 6.026 898 HA ILE 113 HA ILE 113 6.029 -1.638 6.480 899 HB ILE 113 HB ILE 113 5.856 -4.460 7.413 900 1HG1 ILE 113 2HG1 ILE 113 5.084 -3.741 5.174 901 2HG1 ILE 113 1HG1 ILE 113 3.782 -4.415 6.149 902 1HG2 ILE 113 1HG2 ILE 113 5.096 -3.496 9.410 903 2HG2 ILE 113 2HG2 ILE 113 3.631 -3.869 8.502 904 3HG2 ILE 113 3HG2 ILE 113 4.233 -2.212 8.563 905 1HD1 ILE 113 1HD1 ILE 113 3.648 -1.733 6.712 906 2HD1 ILE 113 2HD1 ILE 113 2.634 -2.607 5.564 907 3HD1 ILE 113 3HD1 ILE 113 4.078 -1.767 5.001 908 H LYS 114 H LYS 114 7.630 -3.547 9.039 909 HA LYS 114 HA LYS 114 6.947 -2.050 11.231 910 1HB LYS 114 2HB LYS 114 8.218 -4.153 11.348 911 2HB LYS 114 1HB LYS 114 9.632 -3.334 10.695 912 1HG LYS 114 2HG LYS 114 8.428 -2.179 13.136 913 2HG LYS 114 1HG LYS 114 9.254 -3.730 13.302 914 1HD LYS 114 2HD LYS 114 10.437 -1.223 12.105 915 2HD LYS 114 1HD LYS 114 10.763 -1.842 13.725 916 1HE LYS 114 2HE LYS 114 11.188 -3.915 11.792 917 2HE LYS 114 1HE LYS 114 12.092 -2.476 11.326 918 1HZ LYS 114 1HZ LYS 114 12.646 -2.587 13.924 919 2HZ LYS 114 2HZ LYS 114 13.597 -3.333 12.739 920 3HZ LYS 114 3HZ LYS 114 12.458 -4.237 13.605 921 H HIS 115 H HIS 115 9.870 -1.627 9.246 922 HA HIS 115 HA HIS 115 10.770 0.711 10.481 923 1HB HIS 115 2HB HIS 115 11.445 -0.842 8.154 924 2HB HIS 115 1HB HIS 115 11.568 0.879 7.809 925 HD1 HIS 115 1HD HIS 115 13.368 -1.875 9.349 926 HD2 HIS 115 2HD HIS 115 13.345 2.266 9.684 927 HE1 HIS 115 1HE HIS 115 15.523 -1.282 10.502 928 HE2 HIS 115 2HE HIS 115 15.525 1.235 10.618 929 H ALA 116 H ALA 116 8.359 0.190 8.006 930 HA ALA 116 HA ALA 116 8.183 2.810 7.004 931 1HB ALA 116 1HB ALA 116 5.768 1.063 7.245 932 2HB ALA 116 2HB ALA 116 7.091 0.601 6.175 933 3HB ALA 116 3HB ALA 116 6.252 2.132 5.928 934 H PHE 117 H PHE 117 6.730 1.256 9.805 935 HA PHE 117 HA PHE 117 5.081 3.523 10.457 936 1HB PHE 117 2HB PHE 117 5.685 0.895 11.781 937 2HB PHE 117 1HB PHE 117 4.827 2.160 12.654 938 HD1 PHE 117 1HD PHE 117 2.608 2.871 11.945 939 HD2 PHE 117 2HD PHE 117 4.644 -0.315 9.992 940 HE1 PHE 117 1HE PHE 117 0.496 2.164 10.909 941 HE2 PHE 117 2HE PHE 117 2.534 -1.028 8.952 942 HZ PHE 117 HZ PHE 117 0.455 0.214 9.408 943 H GLU 118 H GLU 118 8.256 2.358 11.281 944 HA GLU 118 HA GLU 118 8.718 3.700 13.672 945 1HB GLU 118 2HB GLU 118 10.617 3.041 11.424 946 2HB GLU 118 1HB GLU 118 11.129 3.642 12.995 947 1HG GLU 118 2HG GLU 118 9.786 1.620 13.914 948 2HG GLU 118 1HG GLU 118 9.954 0.997 12.273 949 H GLU 119 H GLU 119 8.407 4.947 10.471 950 HA GLU 119 HA GLU 119 9.595 7.509 11.235 951 1HB GLU 119 2HB GLU 119 8.539 6.594 8.555 952 2HB GLU 119 1HB GLU 119 9.395 8.098 8.868 953 1HG GLU 119 2HG GLU 119 11.425 7.055 9.112 954 2HG GLU 119 1HG GLU 119 10.700 5.511 9.556 955 H TYR 120 H TYR 120 7.060 6.567 12.362 956 HA TYR 120 HA TYR 120 5.154 8.459 11.180 957 1HB TYR 120 2HB TYR 120 4.504 6.037 11.570 958 2HB TYR 120 1HB TYR 120 4.576 6.383 13.295 959 HD1 TYR 120 1HD TYR 120 2.761 7.403 14.397 960 HD2 TYR 120 2HD TYR 120 2.864 7.335 10.143 961 HE1 TYR 120 1HE TYR 120 0.441 8.220 14.333 962 HE2 TYR 120 2HE TYR 120 0.546 8.151 10.068 963 HH TYR 120 HH TYR 120 -1.475 8.202 12.789 964 H SER 121 H SER 121 7.440 9.235 12.864 965 HA SER 121 HA SER 121 5.918 10.631 14.955 966 1HB SER 121 2HB SER 121 7.082 8.968 16.190 967 2HB SER 121 1HB SER 121 8.558 9.199 15.253 968 HG SER 121 HG SER 121 8.069 10.285 17.514 Start of MODEL 36 1 1H MET 1 1HT MET 1 -0.076 1.101 16.848 2 2H MET 1 2HT MET 1 -0.766 -0.062 17.906 3 3H MET 1 3HT MET 1 -1.270 1.575 17.982 4 HA MET 1 HA MET 1 -2.684 -0.182 16.793 5 1HB MET 1 2HB MET 1 -3.169 1.750 15.055 6 2HB MET 1 1HB MET 1 -3.546 1.947 16.757 7 1HG MET 1 2HG MET 1 -0.845 2.786 16.186 8 2HG MET 1 1HG MET 1 -2.007 3.623 15.163 9 1HE MET 1 1HE MET 1 -2.044 6.539 17.502 10 2HE MET 1 2HE MET 1 -2.431 5.951 15.884 11 3HE MET 1 3HE MET 1 -0.797 5.765 16.522 12 H LYS 2 H LYS 2 -0.514 1.655 14.630 13 HA LYS 2 HA LYS 2 0.450 1.122 12.642 14 1HB LYS 2 2HB LYS 2 0.535 -1.707 13.690 15 2HB LYS 2 1HB LYS 2 1.616 -0.963 12.517 16 1HG LYS 2 2HG LYS 2 1.549 0.426 15.082 17 2HG LYS 2 1HG LYS 2 2.112 -1.242 15.190 18 1HD LYS 2 2HD LYS 2 3.828 -0.830 13.564 19 2HD LYS 2 1HD LYS 2 3.191 0.781 13.231 20 1HE LYS 2 2HE LYS 2 5.099 1.034 14.641 21 2HE LYS 2 1HE LYS 2 3.667 1.372 15.612 22 1HZ LYS 2 1HZ LYS 2 3.804 -0.820 16.565 23 2HZ LYS 2 2HZ LYS 2 5.287 -0.033 16.770 24 3HZ LYS 2 3HZ LYS 2 5.118 -1.220 15.577 25 H ARG 3 H ARG 3 -1.147 1.454 11.164 26 HA ARG 3 HA ARG 3 -2.727 -0.909 10.369 27 1HB ARG 3 2HB ARG 3 -3.785 1.710 9.547 28 2HB ARG 3 1HB ARG 3 -4.625 0.312 10.198 29 1HG ARG 3 2HG ARG 3 -3.163 2.439 11.740 30 2HG ARG 3 1HG ARG 3 -4.900 2.137 11.707 31 1HD ARG 3 2HD ARG 3 -3.731 -0.290 12.449 32 2HD ARG 3 1HD ARG 3 -2.856 0.944 13.350 33 HE ARG 3 HE ARG 3 -5.507 1.575 13.659 34 1HH1 ARG 3 1HH1 ARG 3 -3.514 -1.208 14.335 35 2HH1 ARG 3 2HH1 ARG 3 -4.467 -1.720 15.687 36 1HH2 ARG 3 1HH2 ARG 3 -6.763 0.904 15.437 37 2HH2 ARG 3 2HH2 ARG 3 -6.313 -0.521 16.311 38 H VAL 4 H VAL 4 -2.764 -1.426 8.187 39 HA VAL 4 HA VAL 4 -1.286 0.387 6.396 40 HB VAL 4 HB VAL 4 -1.068 -2.622 6.288 41 1HG1 VAL 4 1HG1 VAL 4 0.054 -0.360 4.709 42 2HG1 VAL 4 2HG1 VAL 4 -0.548 -1.926 4.165 43 3HG1 VAL 4 3HG1 VAL 4 1.035 -1.807 4.933 44 1HG2 VAL 4 1HG2 VAL 4 1.000 -0.677 7.306 45 2HG2 VAL 4 2HG2 VAL 4 1.104 -2.437 7.283 46 3HG2 VAL 4 3HG2 VAL 4 -0.050 -1.637 8.350 47 H LEU 5 H LEU 5 -1.795 0.132 4.113 48 HA LEU 5 HA LEU 5 -4.526 -0.897 3.712 49 1HB LEU 5 2HB LEU 5 -4.157 1.624 3.610 50 2HB LEU 5 1HB LEU 5 -3.262 1.329 2.130 51 HG LEU 5 HG LEU 5 -5.245 0.394 1.074 52 1HD1 LEU 5 1HD1 LEU 5 -6.589 -0.643 2.568 53 2HD1 LEU 5 2HD1 LEU 5 -7.420 0.913 2.529 54 3HD1 LEU 5 3HD1 LEU 5 -6.290 0.548 3.834 55 1HD2 LEU 5 1HD2 LEU 5 -6.366 2.866 2.243 56 2HD2 LEU 5 2HD2 LEU 5 -6.152 2.402 0.556 57 3HD2 LEU 5 3HD2 LEU 5 -4.780 3.001 1.486 58 H VAL 6 H VAL 6 -4.860 -2.331 2.143 59 HA VAL 6 HA VAL 6 -2.630 -2.887 0.293 60 HB VAL 6 HB VAL 6 -4.726 -4.855 1.211 61 1HG1 VAL 6 1HG1 VAL 6 -3.924 -5.596 -0.848 62 2HG1 VAL 6 2HG1 VAL 6 -2.924 -6.458 0.320 63 3HG1 VAL 6 3HG1 VAL 6 -2.283 -5.044 -0.516 64 1HG2 VAL 6 1HG2 VAL 6 -3.288 -5.673 2.825 65 2HG2 VAL 6 2HG2 VAL 6 -3.021 -3.933 2.947 66 3HG2 VAL 6 3HG2 VAL 6 -1.866 -4.945 2.077 67 H VAL 7 H VAL 7 -3.372 -1.506 -1.339 68 HA VAL 7 HA VAL 7 -6.053 -1.811 -2.377 69 HB VAL 7 HB VAL 7 -3.772 -0.249 -3.600 70 1HG1 VAL 7 1HG1 VAL 7 -6.643 -0.563 -4.186 71 2HG1 VAL 7 2HG1 VAL 7 -5.299 -0.177 -5.259 72 3HG1 VAL 7 3HG1 VAL 7 -6.013 1.083 -4.253 73 1HG2 VAL 7 1HG2 VAL 7 -5.909 0.905 -1.834 74 2HG2 VAL 7 2HG2 VAL 7 -4.396 1.641 -2.365 75 3HG2 VAL 7 3HG2 VAL 7 -4.372 0.332 -1.184 76 H ASP 8 H ASP 8 -6.414 -3.704 -3.372 77 HA ASP 8 HA ASP 8 -4.678 -4.382 -5.642 78 1HB ASP 8 2HB ASP 8 -4.095 -5.878 -3.786 79 2HB ASP 8 1HB ASP 8 -5.782 -6.349 -3.622 80 H ASP 9 H ASP 9 -5.721 -5.010 -7.464 81 HA ASP 9 HA ASP 9 -8.611 -4.719 -7.480 82 1HB ASP 9 2HB ASP 9 -7.249 -3.588 -9.199 83 2HB ASP 9 1HB ASP 9 -6.682 -5.154 -9.773 84 H GLU 10 H GLU 10 -8.029 -6.943 -6.079 85 HA GLU 10 HA GLU 10 -9.494 -8.947 -7.360 86 1HB GLU 10 2HB GLU 10 -6.920 -8.918 -8.330 87 2HB GLU 10 1HB GLU 10 -6.829 -10.131 -7.060 88 1HG GLU 10 2HG GLU 10 -9.179 -10.441 -8.739 89 2HG GLU 10 1HG GLU 10 -7.670 -10.534 -9.646 90 H GLU 11 H GLU 11 -9.046 -11.182 -6.148 91 HA GLU 11 HA GLU 11 -8.698 -10.535 -3.294 92 1HB GLU 11 2HB GLU 11 -10.629 -12.475 -4.576 93 2HB GLU 11 1HB GLU 11 -10.357 -12.348 -2.845 94 1HG GLU 11 2HG GLU 11 -11.297 -10.058 -4.549 95 2HG GLU 11 1HG GLU 11 -12.382 -11.163 -3.705 96 H SER 12 H SER 12 -6.524 -11.166 -3.280 97 HA SER 12 HA SER 12 -6.128 -14.018 -3.019 98 1HB SER 12 2HB SER 12 -4.178 -12.647 -4.832 99 2HB SER 12 1HB SER 12 -4.589 -14.358 -4.718 100 HG SER 12 HG SER 12 -5.483 -12.705 -6.482 101 H ILE 13 H ILE 13 -4.596 -10.821 -3.103 102 HA ILE 13 HA ILE 13 -2.491 -11.608 -1.300 103 HB ILE 13 HB ILE 13 -3.286 -8.817 -2.137 104 1HG1 ILE 13 2HG1 ILE 13 -2.800 -10.300 -4.075 105 2HG1 ILE 13 1HG1 ILE 13 -1.630 -8.996 -3.898 106 1HG2 ILE 13 1HG2 ILE 13 -1.052 -9.969 -0.582 107 2HG2 ILE 13 2HG2 ILE 13 -1.831 -8.392 -0.456 108 3HG2 ILE 13 3HG2 ILE 13 -0.648 -8.692 -1.730 109 1HD1 ILE 13 1HD1 ILE 13 -1.034 -11.634 -2.664 110 2HD1 ILE 13 2HD1 ILE 13 0.063 -10.414 -3.309 111 3HD1 ILE 13 3HD1 ILE 13 -0.861 -11.439 -4.409 112 H THR 14 H THR 14 -5.435 -9.653 -1.111 113 HA THR 14 HA THR 14 -5.152 -8.768 1.529 114 HB THR 14 HB THR 14 -7.427 -8.132 1.427 115 HG1 THR 14 1HG THR 14 -7.734 -10.121 -0.568 116 1HG2 THR 14 1HG2 THR 14 -5.920 -7.141 -0.380 117 2HG2 THR 14 2HG2 THR 14 -7.666 -6.979 -0.575 118 3HG2 THR 14 3HG2 THR 14 -6.784 -8.199 -1.493 119 H SER 15 H SER 15 -5.817 -11.901 0.336 120 HA SER 15 HA SER 15 -7.265 -12.823 2.646 121 1HB SER 15 2HB SER 15 -6.279 -14.021 0.111 122 2HB SER 15 1HB SER 15 -6.508 -15.115 1.475 123 HG SER 15 HG SER 15 -8.499 -13.282 0.656 124 H SER 16 H SER 16 -3.953 -13.122 1.417 125 HA SER 16 HA SER 16 -3.160 -14.487 3.881 126 1HB SER 16 2HB SER 16 -1.132 -13.928 1.797 127 2HB SER 16 1HB SER 16 -1.431 -15.403 2.714 128 HG SER 16 HG SER 16 -3.379 -15.592 1.356 129 H LEU 17 H LEU 17 -1.865 -11.847 1.856 130 HA LEU 17 HA LEU 17 -0.017 -10.795 3.577 131 1HB LEU 17 2HB LEU 17 -0.326 -10.016 1.288 132 2HB LEU 17 1HB LEU 17 -1.867 -9.299 1.714 133 HG LEU 17 HG LEU 17 0.227 -7.790 1.465 134 1HD1 LEU 17 1HD1 LEU 17 -0.674 -6.225 3.053 135 2HD1 LEU 17 2HD1 LEU 17 -1.529 -7.518 3.893 136 3HD1 LEU 17 3HD1 LEU 17 -1.990 -7.081 2.250 137 1HD2 LEU 17 1HD2 LEU 17 1.456 -7.446 3.559 138 2HD2 LEU 17 2HD2 LEU 17 1.715 -9.062 2.902 139 3HD2 LEU 17 3HD2 LEU 17 0.624 -8.829 4.269 140 H SER 18 H SER 18 -3.464 -9.877 3.428 141 HA SER 18 HA SER 18 -3.429 -7.999 5.490 142 1HB SER 18 2HB SER 18 -5.336 -8.618 3.846 143 2HB SER 18 1HB SER 18 -5.775 -9.833 5.046 144 HG SER 18 HG SER 18 -6.888 -7.860 5.371 145 H ALA 19 H ALA 19 -4.107 -11.487 5.633 146 HA ALA 19 HA ALA 19 -4.567 -11.661 8.388 147 1HB ALA 19 1HB ALA 19 -5.184 -13.605 7.397 148 2HB ALA 19 2HB ALA 19 -3.560 -14.089 7.890 149 3HB ALA 19 3HB ALA 19 -3.858 -13.561 6.234 150 H ILE 20 H ILE 20 -1.596 -11.801 6.507 151 HA ILE 20 HA ILE 20 0.178 -12.603 8.505 152 HB ILE 20 HB ILE 20 0.551 -10.905 6.046 153 1HG1 ILE 20 2HG1 ILE 20 1.597 -13.648 6.745 154 2HG1 ILE 20 1HG1 ILE 20 0.103 -13.358 5.859 155 1HG2 ILE 20 1HG2 ILE 20 2.561 -11.574 8.163 156 2HG2 ILE 20 2HG2 ILE 20 2.261 -10.033 7.360 157 3HG2 ILE 20 3HG2 ILE 20 3.052 -11.345 6.485 158 1HD1 ILE 20 1HD1 ILE 20 2.756 -13.520 4.874 159 2HD1 ILE 20 2HD1 ILE 20 2.145 -11.894 4.575 160 3HD1 ILE 20 3HD1 ILE 20 1.254 -13.294 3.978 161 H LEU 21 H LEU 21 -0.204 -9.244 7.340 162 HA LEU 21 HA LEU 21 1.175 -7.959 9.331 163 1HB LEU 21 2HB LEU 21 -1.336 -7.067 7.928 164 2HB LEU 21 1HB LEU 21 -0.290 -6.010 8.857 165 HG LEU 21 HG LEU 21 1.191 -7.488 6.849 166 1HD1 LEU 21 1HD1 LEU 21 -1.081 -7.297 5.775 167 2HD1 LEU 21 2HD1 LEU 21 0.264 -6.580 4.887 168 3HD1 LEU 21 3HD1 LEU 21 -0.842 -5.549 5.796 169 1HD2 LEU 21 1HD2 LEU 21 0.902 -4.722 7.863 170 2HD2 LEU 21 2HD2 LEU 21 1.563 -4.931 6.242 171 3HD2 LEU 21 3HD2 LEU 21 2.351 -5.698 7.620 172 H GLU 22 H GLU 22 -2.100 -9.214 9.399 173 HA GLU 22 HA GLU 22 -2.938 -8.027 11.812 174 1HB GLU 22 2HB GLU 22 -3.804 -10.453 10.286 175 2HB GLU 22 1HB GLU 22 -4.493 -10.096 11.863 176 1HG GLU 22 2HG GLU 22 -5.146 -7.858 10.990 177 2HG GLU 22 1HG GLU 22 -4.613 -8.385 9.394 178 H GLU 23 H GLU 23 -0.926 -10.785 11.111 179 HA GLU 23 HA GLU 23 -1.074 -11.869 13.774 180 1HB GLU 23 2HB GLU 23 -0.658 -13.476 12.103 181 2HB GLU 23 1HB GLU 23 0.561 -12.478 11.323 182 1HG GLU 23 2HG GLU 23 2.198 -13.294 12.585 183 2HG GLU 23 1HG GLU 23 1.241 -13.180 14.062 184 H GLU 24 H GLU 24 1.040 -9.762 11.933 185 HA GLU 24 HA GLU 24 3.082 -9.667 13.940 186 1HB GLU 24 2HB GLU 24 2.681 -8.616 11.268 187 2HB GLU 24 1HB GLU 24 3.445 -7.448 12.338 188 1HG GLU 24 2HG GLU 24 4.541 -10.174 12.438 189 2HG GLU 24 1HG GLU 24 4.780 -9.305 10.924 190 H GLY 25 H GLY 25 0.030 -8.378 13.834 191 1HA GLY 25 2HA GLY 25 -0.887 -7.036 15.533 192 2HA GLY 25 1HA GLY 25 0.723 -6.434 15.891 193 H TYR 26 H TYR 26 -1.380 -6.498 13.018 194 HA TYR 26 HA TYR 26 -1.028 -3.583 12.806 195 1HB TYR 26 2HB TYR 26 -0.846 -5.658 10.627 196 2HB TYR 26 1HB TYR 26 -1.111 -3.953 10.286 197 HD1 TYR 26 1HD TYR 26 0.638 -2.337 11.487 198 HD2 TYR 26 2HD TYR 26 1.325 -6.436 10.580 199 HE1 TYR 26 1HE TYR 26 3.064 -1.940 11.554 200 HE2 TYR 26 2HE TYR 26 3.751 -6.053 10.646 201 HH TYR 26 HH TYR 26 5.373 -4.462 10.687 202 H HIS 27 H HIS 27 -2.650 -2.899 10.850 203 HA HIS 27 HA HIS 27 -5.240 -4.193 11.283 204 1HB HIS 27 2HB HIS 27 -4.660 -1.979 12.704 205 2HB HIS 27 1HB HIS 27 -5.263 -1.225 11.232 206 HD1 HIS 27 1HD HIS 27 -6.491 -4.176 13.314 207 HD2 HIS 27 2HD HIS 27 -7.869 -0.648 11.605 208 HE1 HIS 27 1HE HIS 27 -8.946 -4.082 13.854 209 HE2 HIS 27 2HE HIS 27 -9.776 -1.983 12.733 210 HA PRO 28 HA PRO 28 -4.210 -3.263 6.813 211 1HB PRO 28 2HB PRO 28 -5.533 -5.888 6.524 212 2HB PRO 28 1HB PRO 28 -4.017 -5.306 5.829 213 1HG PRO 28 2HG PRO 28 -4.041 -7.091 7.824 214 2HG PRO 28 1HG PRO 28 -2.796 -5.833 7.714 215 1HD PRO 28 2HD PRO 28 -5.203 -5.968 9.484 216 2HD PRO 28 1HD PRO 28 -3.568 -5.378 9.843 217 H ASP 29 H ASP 29 -5.590 -2.428 5.372 218 HA ASP 29 HA ASP 29 -8.450 -2.743 5.918 219 1HB ASP 29 2HB ASP 29 -6.955 -0.382 6.035 220 2HB ASP 29 1HB ASP 29 -7.981 -0.254 4.610 221 H THR 30 H THR 30 -6.271 -3.568 3.775 222 HA THR 30 HA THR 30 -6.218 -3.482 1.403 223 HB THR 30 HB THR 30 -7.069 -5.589 0.786 224 HG1 THR 30 1HG THR 30 -8.737 -6.583 1.827 225 1HG2 THR 30 1HG2 THR 30 -5.834 -6.799 2.172 226 2HG2 THR 30 2HG2 THR 30 -6.872 -6.424 3.548 227 3HG2 THR 30 3HG2 THR 30 -5.581 -5.314 3.090 228 H ALA 31 H ALA 31 -6.962 -2.428 -0.253 229 HA ALA 31 HA ALA 31 -9.826 -1.781 -0.389 230 1HB ALA 31 1HB ALA 31 -9.301 0.244 -1.224 231 2HB ALA 31 2HB ALA 31 -7.986 -0.389 -2.214 232 3HB ALA 31 3HB ALA 31 -7.725 -0.074 -0.498 233 H LYS 32 H LYS 32 -9.943 -1.109 -3.103 234 HA LYS 32 HA LYS 32 -9.494 -3.716 -4.391 235 1HB LYS 32 2HB LYS 32 -11.803 -3.595 -4.214 236 2HB LYS 32 1HB LYS 32 -11.829 -1.850 -4.427 237 1HG LYS 32 2HG LYS 32 -11.248 -2.150 -6.786 238 2HG LYS 32 1HG LYS 32 -11.303 -3.897 -6.560 239 1HD LYS 32 2HD LYS 32 -13.689 -2.441 -5.645 240 2HD LYS 32 1HD LYS 32 -13.406 -2.390 -7.386 241 1HE LYS 32 2HE LYS 32 -13.443 -4.757 -7.548 242 2HE LYS 32 1HE LYS 32 -13.382 -4.944 -5.796 243 1HZ LYS 32 1HZ LYS 32 -15.628 -5.077 -7.200 244 2HZ LYS 32 2HZ LYS 32 -15.628 -3.425 -6.840 245 3HZ LYS 32 3HZ LYS 32 -15.578 -4.564 -5.590 246 H THR 33 H THR 33 -9.298 -0.243 -4.687 247 HA THR 33 HA THR 33 -7.325 -0.403 -6.710 248 HB THR 33 HB THR 33 -9.038 1.116 -8.215 249 HG1 THR 33 1HG THR 33 -10.963 -0.116 -8.338 250 1HG2 THR 33 1HG2 THR 33 -7.706 -1.324 -8.511 251 2HG2 THR 33 2HG2 THR 33 -8.439 -0.330 -9.770 252 3HG2 THR 33 3HG2 THR 33 -9.375 -1.612 -9.001 253 H LEU 34 H LEU 34 -7.343 2.047 -7.816 254 HA LEU 34 HA LEU 34 -6.584 3.719 -5.667 255 1HB LEU 34 2HB LEU 34 -7.179 4.601 -8.489 256 2HB LEU 34 1HB LEU 34 -6.130 5.390 -7.325 257 HG LEU 34 HG LEU 34 -5.595 2.673 -8.525 258 1HD1 LEU 34 1HD1 LEU 34 -3.890 4.974 -9.210 259 2HD1 LEU 34 2HD1 LEU 34 -5.504 4.970 -9.922 260 3HD1 LEU 34 3HD1 LEU 34 -4.415 3.610 -10.197 261 1HD2 LEU 34 1HD2 LEU 34 -4.643 3.597 -6.199 262 2HD2 LEU 34 2HD2 LEU 34 -3.473 4.324 -7.300 263 3HD2 LEU 34 3HD2 LEU 34 -3.705 2.576 -7.287 264 H ARG 35 H ARG 35 -9.364 3.829 -7.887 265 HA ARG 35 HA ARG 35 -10.594 6.086 -6.762 266 1HB ARG 35 2HB ARG 35 -12.677 5.224 -7.810 267 2HB ARG 35 1HB ARG 35 -11.309 5.242 -8.914 268 1HG ARG 35 2HG ARG 35 -11.015 2.770 -8.192 269 2HG ARG 35 1HG ARG 35 -12.689 2.915 -7.654 270 1HD ARG 35 2HD ARG 35 -13.096 3.892 -10.023 271 2HD ARG 35 1HD ARG 35 -11.562 3.118 -10.420 272 HE ARG 35 HE ARG 35 -13.133 1.211 -9.156 273 1HH1 ARG 35 1HH1 ARG 35 -13.226 3.113 -12.081 274 2HH1 ARG 35 2HH1 ARG 35 -14.122 1.929 -12.971 275 1HH2 ARG 35 1HH2 ARG 35 -14.312 -0.347 -10.326 276 2HH2 ARG 35 2HH2 ARG 35 -14.740 -0.035 -11.975 277 H GLU 36 H GLU 36 -11.059 2.623 -6.118 278 HA GLU 36 HA GLU 36 -12.966 2.979 -4.057 279 1HB GLU 36 2HB GLU 36 -12.339 0.837 -5.408 280 2HB GLU 36 1HB GLU 36 -11.113 0.618 -4.165 281 1HG GLU 36 2HG GLU 36 -12.853 -0.621 -3.330 282 2HG GLU 36 1HG GLU 36 -13.100 0.926 -2.522 283 H ALA 37 H ALA 37 -9.474 3.001 -4.158 284 HA ALA 37 HA ALA 37 -9.071 2.762 -1.341 285 1HB ALA 37 1HB ALA 37 -6.777 3.646 -1.893 286 2HB ALA 37 2HB ALA 37 -7.303 3.750 -3.573 287 3HB ALA 37 3HB ALA 37 -7.251 2.186 -2.761 288 H GLU 38 H GLU 38 -8.604 5.562 -3.515 289 HA GLU 38 HA GLU 38 -8.234 7.559 -1.730 290 1HB GLU 38 2HB GLU 38 -9.978 7.690 -4.194 291 2HB GLU 38 1HB GLU 38 -9.346 9.087 -3.337 292 1HG GLU 38 2HG GLU 38 -7.199 8.742 -4.066 293 2HG GLU 38 1HG GLU 38 -7.451 7.016 -4.325 294 H LYS 39 H LYS 39 -11.326 6.092 -2.574 295 HA LYS 39 HA LYS 39 -12.955 7.862 -1.087 296 1HB LYS 39 2HB LYS 39 -13.902 6.367 -2.768 297 2HB LYS 39 1HB LYS 39 -13.399 4.963 -1.837 298 1HG LYS 39 2HG LYS 39 -15.097 6.852 -0.373 299 2HG LYS 39 1HG LYS 39 -15.870 6.076 -1.757 300 1HD LYS 39 2HD LYS 39 -14.585 3.976 -0.568 301 2HD LYS 39 1HD LYS 39 -15.059 4.953 0.823 302 1HE LYS 39 2HE LYS 39 -16.892 3.563 0.510 303 2HE LYS 39 1HE LYS 39 -17.372 5.047 -0.313 304 1HZ LYS 39 1HZ LYS 39 -15.994 3.041 -1.917 305 2HZ LYS 39 2HZ LYS 39 -17.274 4.067 -2.332 306 3HZ LYS 39 3HZ LYS 39 -17.570 2.665 -1.431 307 H LYS 40 H LYS 40 -11.552 4.701 -0.318 308 HA LYS 40 HA LYS 40 -12.479 4.615 2.356 309 1HB LYS 40 2HB LYS 40 -10.266 3.153 0.929 310 2HB LYS 40 1HB LYS 40 -10.711 2.826 2.599 311 1HG LYS 40 2HG LYS 40 -13.108 2.725 1.186 312 2HG LYS 40 1HG LYS 40 -11.930 1.909 0.155 313 1HD LYS 40 2HD LYS 40 -11.247 0.592 2.205 314 2HD LYS 40 1HD LYS 40 -12.673 1.260 3.000 315 1HE LYS 40 2HE LYS 40 -14.119 0.021 1.754 316 2HE LYS 40 1HE LYS 40 -13.064 0.013 0.341 317 1HZ LYS 40 1HZ LYS 40 -13.446 -2.089 1.953 318 2HZ LYS 40 2HZ LYS 40 -12.042 -1.429 2.630 319 3HZ LYS 40 3HZ LYS 40 -12.068 -1.867 0.997 320 H ILE 41 H ILE 41 -9.602 5.928 0.842 321 HA ILE 41 HA ILE 41 -8.294 6.412 3.385 322 HB ILE 41 HB ILE 41 -7.442 7.455 0.692 323 1HG1 ILE 41 2HG1 ILE 41 -6.402 4.912 1.911 324 2HG1 ILE 41 1HG1 ILE 41 -7.823 4.893 0.877 325 1HG2 ILE 41 1HG2 ILE 41 -5.363 6.696 2.549 326 2HG2 ILE 41 2HG2 ILE 41 -6.458 7.883 3.256 327 3HG2 ILE 41 3HG2 ILE 41 -5.639 8.236 1.734 328 1HD1 ILE 41 1HD1 ILE 41 -6.625 5.460 -1.001 329 2HD1 ILE 41 2HD1 ILE 41 -5.481 4.442 -0.126 330 3HD1 ILE 41 3HD1 ILE 41 -5.318 6.198 -0.073 331 H LYS 42 H LYS 42 -10.530 8.033 1.387 332 HA LYS 42 HA LYS 42 -9.887 10.698 1.632 333 1HB LYS 42 2HB LYS 42 -12.218 9.169 0.995 334 2HB LYS 42 1HB LYS 42 -12.668 10.547 1.986 335 1HG LYS 42 2HG LYS 42 -10.825 11.041 -0.277 336 2HG LYS 42 1HG LYS 42 -12.510 10.682 -0.656 337 1HD LYS 42 2HD LYS 42 -12.707 12.930 -0.411 338 2HD LYS 42 1HD LYS 42 -12.892 12.478 1.285 339 1HE LYS 42 2HE LYS 42 -11.239 13.956 1.633 340 2HE LYS 42 1HE LYS 42 -10.189 12.654 1.074 341 1HZ LYS 42 1HZ LYS 42 -11.375 14.488 -0.893 342 2HZ LYS 42 2HZ LYS 42 -9.920 13.627 -0.968 343 3HZ LYS 42 3HZ LYS 42 -10.040 15.002 0.009 344 H GLU 43 H GLU 43 -10.959 8.525 4.099 345 HA GLU 43 HA GLU 43 -11.093 10.779 5.981 346 1HB GLU 43 2HB GLU 43 -12.585 8.175 6.280 347 2HB GLU 43 1HB GLU 43 -12.761 9.625 7.259 348 1HG GLU 43 2HG GLU 43 -14.221 10.525 5.847 349 2HG GLU 43 1HG GLU 43 -13.235 10.129 4.441 350 H LEU 44 H LEU 44 -10.570 7.257 5.862 351 HA LEU 44 HA LEU 44 -9.214 7.075 8.311 352 1HB LEU 44 2HB LEU 44 -9.995 5.327 6.242 353 2HB LEU 44 1HB LEU 44 -8.269 5.098 6.448 354 HG LEU 44 HG LEU 44 -9.462 3.506 7.812 355 1HD1 LEU 44 1HD1 LEU 44 -8.473 3.967 9.964 356 2HD1 LEU 44 2HD1 LEU 44 -8.314 5.677 9.561 357 3HD1 LEU 44 3HD1 LEU 44 -7.367 4.472 8.686 358 1HD2 LEU 44 1HD2 LEU 44 -11.542 4.232 8.345 359 2HD2 LEU 44 2HD2 LEU 44 -11.022 5.902 8.573 360 3HD2 LEU 44 3HD2 LEU 44 -10.727 4.707 9.836 361 H PHE 45 H PHE 45 -7.202 7.535 8.915 362 HA PHE 45 HA PHE 45 -5.348 8.577 6.919 363 1HB PHE 45 2HB PHE 45 -5.864 9.787 9.092 364 2HB PHE 45 1HB PHE 45 -4.969 8.514 9.915 365 HD1 PHE 45 1HD PHE 45 -4.739 11.446 7.764 366 HD2 PHE 45 2HD PHE 45 -2.560 8.319 9.658 367 HE1 PHE 45 1HE PHE 45 -2.642 12.667 7.357 368 HE2 PHE 45 2HE PHE 45 -0.460 9.535 9.255 369 HZ PHE 45 HZ PHE 45 -0.498 11.711 8.103 370 H PHE 46 H PHE 46 -4.733 6.617 5.930 371 HA PHE 46 HA PHE 46 -3.595 4.481 7.477 372 1HB PHE 46 2HB PHE 46 -3.755 5.002 4.511 373 2HB PHE 46 1HB PHE 46 -2.979 3.578 5.193 374 HD1 PHE 46 1HD PHE 46 -5.870 4.691 3.734 375 HD2 PHE 46 2HD PHE 46 -4.560 2.406 7.072 376 HE1 PHE 46 1HE PHE 46 -8.046 3.545 3.792 377 HE2 PHE 46 2HE PHE 46 -6.734 1.254 7.141 378 HZ PHE 46 HZ PHE 46 -8.481 1.826 5.501 379 HA PRO 47 HA PRO 47 0.461 6.420 7.555 380 1HB PRO 47 2HB PRO 47 1.687 4.525 9.046 381 2HB PRO 47 1HB PRO 47 0.593 5.721 9.750 382 1HG PRO 47 2HG PRO 47 0.077 2.871 9.028 383 2HG PRO 47 1HG PRO 47 -0.451 3.777 10.456 384 1HD PRO 47 2HD PRO 47 -2.062 3.285 8.307 385 2HD PRO 47 1HD PRO 47 -2.242 4.700 9.359 386 H VAL 48 H VAL 48 -0.390 3.275 6.382 387 HA VAL 48 HA VAL 48 1.895 3.327 4.573 388 HB VAL 48 HB VAL 48 1.140 0.760 5.933 389 1HG1 VAL 48 1HG1 VAL 48 3.422 1.720 4.247 390 2HG1 VAL 48 2HG1 VAL 48 2.393 0.305 4.026 391 3HG1 VAL 48 3HG1 VAL 48 3.602 0.325 5.311 392 1HG2 VAL 48 1HG2 VAL 48 1.762 2.080 7.758 393 2HG2 VAL 48 2HG2 VAL 48 3.041 2.884 6.850 394 3HG2 VAL 48 3HG2 VAL 48 3.225 1.194 7.322 395 H ILE 49 H ILE 49 1.340 2.834 2.564 396 HA ILE 49 HA ILE 49 -1.216 1.460 2.086 397 HB ILE 49 HB ILE 49 0.040 3.363 0.125 398 1HG1 ILE 49 2HG1 ILE 49 -0.303 4.617 2.205 399 2HG1 ILE 49 1HG1 ILE 49 -1.453 5.124 0.972 400 1HG2 ILE 49 1HG2 ILE 49 -2.482 1.863 0.367 401 2HG2 ILE 49 2HG2 ILE 49 -1.584 2.357 -1.068 402 3HG2 ILE 49 3HG2 ILE 49 -2.623 3.514 -0.238 403 1HD1 ILE 49 1HD1 ILE 49 -1.905 3.710 3.527 404 2HD1 ILE 49 2HD1 ILE 49 -2.947 3.289 2.169 405 3HD1 ILE 49 3HD1 ILE 49 -2.862 4.959 2.731 406 H VAL 50 H VAL 50 -1.315 0.137 0.163 407 HA VAL 50 HA VAL 50 1.224 -0.593 -1.065 408 HB VAL 50 HB VAL 50 -0.519 -2.653 0.296 409 1HG1 VAL 50 1HG1 VAL 50 2.147 -3.449 -0.564 410 2HG1 VAL 50 2HG1 VAL 50 1.105 -2.979 -1.906 411 3HG1 VAL 50 3HG1 VAL 50 0.596 -4.253 -0.798 412 1HG2 VAL 50 1HG2 VAL 50 1.373 -2.964 1.809 413 2HG2 VAL 50 2HG2 VAL 50 0.752 -1.316 1.893 414 3HG2 VAL 50 3HG2 VAL 50 2.236 -1.654 1.003 415 H LEU 51 H LEU 51 0.657 -0.111 -3.075 416 HA LEU 51 HA LEU 51 -1.952 -0.861 -4.107 417 1HB LEU 51 2HB LEU 51 -1.149 1.335 -4.666 418 2HB LEU 51 1HB LEU 51 0.336 0.674 -5.324 419 HG LEU 51 HG LEU 51 -1.021 -0.454 -7.095 420 1HD1 LEU 51 1HD1 LEU 51 -3.312 0.386 -7.465 421 2HD1 LEU 51 2HD1 LEU 51 -3.235 1.207 -5.905 422 3HD1 LEU 51 3HD1 LEU 51 -3.155 -0.553 -5.980 423 1HD2 LEU 51 1HD2 LEU 51 -1.150 2.546 -6.871 424 2HD2 LEU 51 2HD2 LEU 51 -1.497 1.646 -8.348 425 3HD2 LEU 51 3HD2 LEU 51 0.115 1.580 -7.633 426 H ASP 52 H ASP 52 -1.876 -3.092 -4.261 427 HA ASP 52 HA ASP 52 0.221 -4.488 -5.603 428 1HB ASP 52 2HB ASP 52 -1.203 -5.596 -3.928 429 2HB ASP 52 1HB ASP 52 -2.607 -5.366 -4.964 430 H VAL 53 H VAL 53 0.505 -3.572 -7.619 431 HA VAL 53 HA VAL 53 -1.560 -2.960 -9.426 432 HB VAL 53 HB VAL 53 0.202 -2.828 -11.137 433 1HG1 VAL 53 1HG1 VAL 53 -0.196 -0.981 -9.539 434 2HG1 VAL 53 2HG1 VAL 53 1.465 -1.041 -10.129 435 3HG1 VAL 53 3HG1 VAL 53 1.081 -1.633 -8.513 436 1HG2 VAL 53 1HG2 VAL 53 2.219 -3.801 -10.975 437 2HG2 VAL 53 2HG2 VAL 53 1.469 -4.790 -9.724 438 3HG2 VAL 53 3HG2 VAL 53 2.401 -3.363 -9.277 439 H TRP 54 H TRP 54 -2.814 -5.015 -9.116 440 HA TRP 54 HA TRP 54 -1.821 -7.418 -10.315 441 1HB TRP 54 2HB TRP 54 -3.495 -7.617 -8.596 442 2HB TRP 54 1HB TRP 54 -4.600 -6.567 -9.476 443 HD1 TRP 54 HD TRP 54 -6.547 -8.017 -10.275 444 HE1 TRP 54 1HE TRP 54 -6.796 -10.305 -11.424 445 HE3 TRP 54 3HE TRP 54 -1.637 -9.440 -10.321 446 HZ2 TRP 54 2HZ TRP 54 -5.132 -12.434 -12.242 447 HZ3 TRP 54 3HZ TRP 54 -1.050 -11.618 -11.305 448 HH2 TRP 54 HH TRP 54 -2.762 -13.083 -12.245 449 H MET 55 H MET 55 -4.790 -5.721 -11.263 450 HA MET 55 HA MET 55 -3.898 -5.254 -13.942 451 1HB MET 55 2HB MET 55 -4.668 -7.810 -13.574 452 2HB MET 55 1HB MET 55 -6.230 -7.084 -13.929 453 1HG MET 55 2HG MET 55 -5.194 -6.116 -15.999 454 2HG MET 55 1HG MET 55 -3.778 -7.110 -15.664 455 1HE MET 55 1HE MET 55 -3.549 -9.452 -15.843 456 2HE MET 55 2HE MET 55 -3.689 -9.099 -17.565 457 3HE MET 55 3HE MET 55 -4.542 -10.480 -16.876 458 HA PRO 56 HA PRO 56 -7.578 -2.799 -12.481 459 1HB PRO 56 2HB PRO 56 -6.022 -0.464 -12.032 460 2HB PRO 56 1HB PRO 56 -6.759 -1.507 -10.818 461 1HG PRO 56 2HG PRO 56 -4.028 -1.175 -11.249 462 2HG PRO 56 1HG PRO 56 -4.781 -2.489 -10.332 463 1HD PRO 56 2HD PRO 56 -3.759 -2.472 -13.134 464 2HD PRO 56 1HD PRO 56 -3.746 -3.779 -11.932 465 H ASP 57 H ASP 57 -7.483 -0.041 -13.102 466 HA ASP 57 HA ASP 57 -7.037 -0.077 -16.014 467 1HB ASP 57 2HB ASP 57 -9.055 1.298 -16.287 468 2HB ASP 57 1HB ASP 57 -9.435 -0.248 -15.535 469 H GLY 58 H GLY 58 -7.304 1.925 -13.102 470 1HA GLY 58 2HA GLY 58 -6.284 4.276 -14.410 471 2HA GLY 58 1HA GLY 58 -6.570 4.081 -12.687 472 H ASP 59 H ASP 59 -4.420 5.446 -13.160 473 HA ASP 59 HA ASP 59 -2.162 3.558 -13.067 474 1HB ASP 59 2HB ASP 59 -2.476 6.289 -14.185 475 2HB ASP 59 1HB ASP 59 -0.933 5.928 -13.415 476 H GLY 60 H GLY 60 -1.078 3.338 -11.220 477 1HA GLY 60 2HA GLY 60 -1.903 4.833 -8.900 478 2HA GLY 60 1HA GLY 60 -0.719 3.537 -8.941 479 H VAL 61 H VAL 61 0.231 5.594 -11.307 480 HA VAL 61 HA VAL 61 2.504 6.489 -9.949 481 HB VAL 61 HB VAL 61 1.283 7.655 -12.454 482 1HG1 VAL 61 1HG1 VAL 61 4.041 7.782 -11.270 483 2HG1 VAL 61 2HG1 VAL 61 2.955 9.120 -11.647 484 3HG1 VAL 61 3HG1 VAL 61 3.689 8.187 -12.951 485 1HG2 VAL 61 1HG2 VAL 61 3.365 5.486 -12.251 486 2HG2 VAL 61 2HG2 VAL 61 2.580 6.092 -13.709 487 3HG2 VAL 61 3HG2 VAL 61 1.651 5.178 -12.521 488 H ASN 62 H ASN 62 -0.254 8.431 -11.138 489 HA ASN 62 HA ASN 62 0.497 10.749 -9.726 490 1HB ASN 62 2HB ASN 62 -1.764 11.502 -10.431 491 2HB ASN 62 1HB ASN 62 -0.789 10.891 -11.750 492 1HD2 ASN 62 1HD2 ASN 62 -1.412 9.066 -12.812 493 2HD2 ASN 62 2HD2 ASN 62 -2.928 8.283 -12.548 494 H PHE 63 H PHE 63 -1.280 7.914 -8.857 495 HA PHE 63 HA PHE 63 -2.967 8.953 -6.878 496 1HB PHE 63 2HB PHE 63 -3.204 6.676 -7.759 497 2HB PHE 63 1HB PHE 63 -1.678 6.219 -7.007 498 HD1 PHE 63 1HD PHE 63 -4.405 8.293 -5.590 499 HD2 PHE 63 2HD PHE 63 -2.313 4.589 -5.465 500 HE1 PHE 63 1HE PHE 63 -5.599 7.693 -3.526 501 HE2 PHE 63 2HE PHE 63 -3.507 3.982 -3.400 502 HZ PHE 63 HZ PHE 63 -5.154 5.537 -2.430 503 H ILE 64 H ILE 64 0.418 7.977 -6.755 504 HA ILE 64 HA ILE 64 0.885 7.813 -4.063 505 HB ILE 64 HB ILE 64 2.676 9.127 -6.110 506 1HG1 ILE 64 2HG1 ILE 64 3.421 6.469 -5.226 507 2HG1 ILE 64 1HG1 ILE 64 1.794 6.474 -5.900 508 1HG2 ILE 64 1HG2 ILE 64 4.493 8.413 -4.507 509 2HG2 ILE 64 2HG2 ILE 64 3.219 8.152 -3.316 510 3HG2 ILE 64 3HG2 ILE 64 3.489 9.764 -3.980 511 1HD1 ILE 64 1HD1 ILE 64 4.126 6.266 -7.313 512 2HD1 ILE 64 2HD1 ILE 64 3.694 7.964 -7.515 513 3HD1 ILE 64 3HD1 ILE 64 2.550 6.702 -7.975 514 H ASP 65 H ASP 65 0.154 10.667 -5.917 515 HA ASP 65 HA ASP 65 1.023 12.545 -3.946 516 1HB ASP 65 2HB ASP 65 0.811 13.145 -6.332 517 2HB ASP 65 1HB ASP 65 -0.931 12.912 -6.230 518 H PHE 66 H PHE 66 -2.063 11.034 -4.783 519 HA PHE 66 HA PHE 66 -3.731 12.503 -3.101 520 1HB PHE 66 2HB PHE 66 -4.577 10.936 -4.794 521 2HB PHE 66 1HB PHE 66 -3.943 9.582 -3.866 522 HD1 PHE 66 1HD PHE 66 -4.855 9.254 -1.495 523 HD2 PHE 66 2HD PHE 66 -6.727 11.717 -4.417 524 HE1 PHE 66 1HE PHE 66 -6.970 9.125 -0.245 525 HE2 PHE 66 2HE PHE 66 -8.845 11.592 -3.173 526 HZ PHE 66 HZ PHE 66 -8.969 10.295 -1.083 527 H ILE 67 H ILE 67 -1.797 9.608 -2.460 528 HA ILE 67 HA ILE 67 -2.674 9.157 0.172 529 HB ILE 67 HB ILE 67 -0.017 8.505 -1.115 530 1HG1 ILE 67 2HG1 ILE 67 -1.199 6.144 -0.892 531 2HG1 ILE 67 1HG1 ILE 67 -2.660 7.127 -0.901 532 1HG2 ILE 67 1HG2 ILE 67 0.615 8.231 1.043 533 2HG2 ILE 67 2HG2 ILE 67 -0.221 6.690 0.842 534 3HG2 ILE 67 3HG2 ILE 67 -1.042 8.043 1.619 535 1HD1 ILE 67 1HD1 ILE 67 -0.804 7.855 -3.011 536 2HD1 ILE 67 2HD1 ILE 67 -2.524 7.475 -3.089 537 3HD1 ILE 67 3HD1 ILE 67 -1.332 6.175 -3.101 538 H LYS 68 H LYS 68 -0.026 11.121 -1.129 539 HA LYS 68 HA LYS 68 0.855 11.976 1.471 540 1HB LYS 68 2HB LYS 68 1.506 13.172 -1.228 541 2HB LYS 68 1HB LYS 68 2.391 13.419 0.271 542 1HG LYS 68 2HG LYS 68 2.275 10.634 -0.175 543 2HG LYS 68 1HG LYS 68 2.727 11.392 -1.702 544 1HD LYS 68 2HD LYS 68 4.810 11.392 -0.871 545 2HD LYS 68 1HD LYS 68 4.267 12.761 0.101 546 1HE LYS 68 2HE LYS 68 5.285 11.240 1.602 547 2HE LYS 68 1HE LYS 68 3.545 11.086 1.842 548 1HZ LYS 68 1HZ LYS 68 5.444 9.169 0.759 549 2HZ LYS 68 2HZ LYS 68 3.931 9.218 0.006 550 3HZ LYS 68 3HZ LYS 68 4.040 8.909 1.666 551 H GLU 69 H GLU 69 -1.585 12.924 -0.730 552 HA GLU 69 HA GLU 69 -1.763 15.674 -0.019 553 1HB GLU 69 2HB GLU 69 -2.702 14.569 -2.105 554 2HB GLU 69 1HB GLU 69 -3.997 13.961 -1.085 555 1HG GLU 69 2HG GLU 69 -4.070 16.580 -0.453 556 2HG GLU 69 1HG GLU 69 -3.514 16.665 -2.124 557 H ASN 70 H ASN 70 -3.377 12.726 1.057 558 HA ASN 70 HA ASN 70 -4.522 14.246 3.306 559 1HB ASN 70 2HB ASN 70 -5.623 11.613 2.359 560 2HB ASN 70 1HB ASN 70 -6.422 12.871 3.298 561 1HD2 ASN 70 1HD2 ASN 70 -4.991 12.250 0.121 562 2HD2 ASN 70 2HD2 ASN 70 -6.089 13.246 -0.763 563 H SER 71 H SER 71 -1.920 12.590 2.812 564 HA SER 71 HA SER 71 -1.759 11.577 5.477 565 1HB SER 71 2HB SER 71 -2.470 9.748 3.333 566 2HB SER 71 1HB SER 71 -0.959 9.276 4.109 567 HG SER 71 HG SER 71 -2.591 8.353 5.276 568 HA PRO 72 HA PRO 72 2.171 12.966 3.362 569 1HB PRO 72 2HB PRO 72 2.419 14.750 5.668 570 2HB PRO 72 1HB PRO 72 2.455 15.141 3.947 571 1HG PRO 72 2HG PRO 72 0.390 15.830 5.547 572 2HG PRO 72 1HG PRO 72 0.179 15.438 3.830 573 1HD PRO 72 2HD PRO 72 -0.356 13.749 6.244 574 2HD PRO 72 1HD PRO 72 -1.302 13.913 4.748 575 H ASP 73 H ASP 73 1.250 11.935 6.490 576 HA ASP 73 HA ASP 73 4.008 11.194 7.167 577 1HB ASP 73 2HB ASP 73 2.623 12.523 8.809 578 2HB ASP 73 1HB ASP 73 1.605 11.098 8.987 579 H SER 74 H SER 74 2.561 9.757 5.175 580 HA SER 74 HA SER 74 2.077 7.186 6.524 581 1HB SER 74 2HB SER 74 0.131 8.051 5.295 582 2HB SER 74 1HB SER 74 1.096 8.136 3.822 583 HG SER 74 HG SER 74 -0.320 6.140 4.501 584 H VAL 75 H VAL 75 2.216 5.678 4.066 585 HA VAL 75 HA VAL 75 4.875 6.078 3.004 586 HB VAL 75 HB VAL 75 4.304 3.525 4.516 587 1HG1 VAL 75 1HG1 VAL 75 6.758 4.532 3.066 588 2HG1 VAL 75 2HG1 VAL 75 5.714 3.203 2.563 589 3HG1 VAL 75 3HG1 VAL 75 6.682 3.058 4.031 590 1HG2 VAL 75 1HG2 VAL 75 4.652 5.271 6.116 591 2HG2 VAL 75 2HG2 VAL 75 6.034 5.896 5.216 592 3HG2 VAL 75 3HG2 VAL 75 6.138 4.328 6.015 593 H VAL 76 H VAL 76 5.131 5.227 1.037 594 HA VAL 76 HA VAL 76 2.939 3.534 0.015 595 HB VAL 76 HB VAL 76 4.597 5.262 -1.786 596 1HG1 VAL 76 1HG1 VAL 76 2.692 3.382 -2.281 597 2HG1 VAL 76 2HG1 VAL 76 3.116 4.701 -3.372 598 3HG1 VAL 76 3HG1 VAL 76 1.740 4.865 -2.282 599 1HG2 VAL 76 1HG2 VAL 76 2.203 6.124 -0.173 600 2HG2 VAL 76 2HG2 VAL 76 2.778 6.981 -1.603 601 3HG2 VAL 76 3HG2 VAL 76 3.813 6.844 -0.183 602 H ILE 77 H ILE 77 3.773 1.515 0.123 603 HA ILE 77 HA ILE 77 6.501 0.976 -0.670 604 HB ILE 77 HB ILE 77 4.317 -1.003 -0.008 605 1HG1 ILE 77 2HG1 ILE 77 4.725 0.580 1.845 606 2HG1 ILE 77 1HG1 ILE 77 5.252 -1.051 2.247 607 1HG2 ILE 77 1HG2 ILE 77 5.855 -2.414 -0.836 608 2HG2 ILE 77 2HG2 ILE 77 6.673 -2.152 0.704 609 3HG2 ILE 77 3HG2 ILE 77 7.155 -1.228 -0.720 610 1HD1 ILE 77 1HD1 ILE 77 7.551 -0.083 1.300 611 2HD1 ILE 77 2HD1 ILE 77 7.063 0.067 2.988 612 3HD1 ILE 77 3HD1 ILE 77 6.823 1.416 1.878 613 H VAL 78 H VAL 78 3.264 0.060 -1.850 614 HA VAL 78 HA VAL 78 2.538 -0.704 -3.876 615 HB VAL 78 HB VAL 78 4.786 1.063 -4.873 616 1HG1 VAL 78 1HG1 VAL 78 2.331 0.057 -6.313 617 2HG1 VAL 78 2HG1 VAL 78 3.985 -0.489 -6.591 618 3HG1 VAL 78 3HG1 VAL 78 3.532 1.174 -6.962 619 1HG2 VAL 78 1HG2 VAL 78 2.148 1.616 -3.735 620 2HG2 VAL 78 2HG2 VAL 78 2.446 2.412 -5.281 621 3HG2 VAL 78 3HG2 VAL 78 3.548 2.671 -3.928 622 H ILE 79 H ILE 79 2.968 -2.873 -3.847 623 HA ILE 79 HA ILE 79 5.584 -3.758 -4.856 624 HB ILE 79 HB ILE 79 3.633 -5.706 -3.712 625 1HG1 ILE 79 2HG1 ILE 79 5.386 -3.961 -1.975 626 2HG1 ILE 79 1HG1 ILE 79 3.650 -3.737 -2.158 627 1HG2 ILE 79 1HG2 ILE 79 5.429 -6.999 -3.944 628 2HG2 ILE 79 2HG2 ILE 79 6.238 -6.040 -2.707 629 3HG2 ILE 79 3HG2 ILE 79 6.414 -5.613 -4.408 630 1HD1 ILE 79 1HD1 ILE 79 3.711 -4.959 -0.238 631 2HD1 ILE 79 2HD1 ILE 79 5.152 -5.855 -0.722 632 3HD1 ILE 79 3HD1 ILE 79 3.585 -6.259 -1.424 633 H THR 80 H THR 80 4.560 -6.415 -5.580 634 HA THR 80 HA THR 80 3.606 -7.541 -7.305 635 HB THR 80 HB THR 80 1.935 -5.088 -7.859 636 HG1 THR 80 1HG THR 80 1.770 -5.742 -5.652 637 1HG2 THR 80 1HG2 THR 80 0.300 -6.608 -8.709 638 2HG2 THR 80 2HG2 THR 80 1.284 -7.997 -8.249 639 3HG2 THR 80 3HG2 THR 80 1.833 -6.912 -9.527 640 H GLY 81 H GLY 81 4.897 -7.913 -8.961 641 1HA GLY 81 2HA GLY 81 5.205 -5.898 -11.037 642 2HA GLY 81 1HA GLY 81 6.683 -6.386 -10.221 643 H HIS 82 H HIS 82 5.712 -6.728 -13.039 644 HA HIS 82 HA HIS 82 5.514 -9.630 -13.253 645 1HB HIS 82 2HB HIS 82 5.012 -7.334 -15.085 646 2HB HIS 82 1HB HIS 82 5.462 -8.875 -15.807 647 HD1 HIS 82 1HD HIS 82 3.900 -10.934 -14.483 648 HD2 HIS 82 2HD HIS 82 2.329 -7.131 -15.064 649 HE1 HIS 82 1HE HIS 82 1.403 -11.211 -14.359 650 HE2 HIS 82 2HE HIS 82 0.478 -8.883 -14.622 651 H GLY 83 H GLY 83 7.267 -7.365 -15.351 652 1HA GLY 83 2HA GLY 83 9.828 -8.507 -14.652 653 2HA GLY 83 1HA GLY 83 9.244 -8.985 -16.238 654 H SER 84 H SER 84 9.008 -5.882 -14.524 655 HA SER 84 HA SER 84 10.910 -4.653 -16.323 656 1HB SER 84 2HB SER 84 8.116 -3.520 -16.278 657 2HB SER 84 1HB SER 84 9.441 -3.120 -17.370 658 HG SER 84 HG SER 84 8.216 -4.468 -18.541 659 H VAL 85 H VAL 85 11.854 -2.870 -15.454 660 HA VAL 85 HA VAL 85 10.898 -2.060 -12.793 661 HB VAL 85 HB VAL 85 13.652 -1.586 -13.929 662 1HG1 VAL 85 1HG1 VAL 85 12.435 -0.451 -11.770 663 2HG1 VAL 85 2HG1 VAL 85 14.177 -0.638 -11.965 664 3HG1 VAL 85 3HG1 VAL 85 13.262 -1.825 -11.036 665 1HG2 VAL 85 1HG2 VAL 85 12.497 -3.974 -12.578 666 2HG2 VAL 85 2HG2 VAL 85 14.153 -3.507 -12.193 667 3HG2 VAL 85 3HG2 VAL 85 13.706 -3.874 -13.858 668 H ASP 86 H ASP 86 9.646 -0.974 -15.060 669 HA ASP 86 HA ASP 86 10.737 1.750 -15.209 670 1HB ASP 86 2HB ASP 86 9.229 2.022 -17.171 671 2HB ASP 86 1HB ASP 86 10.410 0.733 -17.382 672 H THR 87 H THR 87 8.060 -0.121 -14.052 673 HA THR 87 HA THR 87 6.347 2.181 -13.674 674 HB THR 87 HB THR 87 5.615 -0.284 -14.106 675 HG1 THR 87 1HG THR 87 3.704 0.124 -12.914 676 1HG2 THR 87 1HG2 THR 87 6.903 -1.109 -12.050 677 2HG2 THR 87 2HG2 THR 87 5.261 -1.702 -12.303 678 3HG2 THR 87 3HG2 THR 87 5.567 -0.432 -11.118 679 H ALA 88 H ALA 88 8.449 0.123 -11.765 680 HA ALA 88 HA ALA 88 7.834 1.055 -9.207 681 1HB ALA 88 1HB ALA 88 10.158 0.350 -8.636 682 2HB ALA 88 2HB ALA 88 10.445 0.075 -10.353 683 3HB ALA 88 3HB ALA 88 9.232 -0.878 -9.500 684 H VAL 89 H VAL 89 10.461 2.065 -11.360 685 HA VAL 89 HA VAL 89 11.364 4.226 -9.851 686 HB VAL 89 HB VAL 89 12.509 4.988 -11.826 687 1HG1 VAL 89 1HG1 VAL 89 12.433 2.145 -11.132 688 2HG1 VAL 89 2HG1 VAL 89 13.805 3.244 -11.274 689 3HG1 VAL 89 3HG1 VAL 89 13.128 2.488 -12.716 690 1HG2 VAL 89 1HG2 VAL 89 12.046 3.880 -14.040 691 2HG2 VAL 89 2HG2 VAL 89 10.796 4.988 -13.474 692 3HG2 VAL 89 3HG2 VAL 89 10.564 3.245 -13.326 693 H LYS 90 H LYS 90 8.650 3.950 -12.031 694 HA LYS 90 HA LYS 90 8.251 6.785 -12.293 695 1HB LYS 90 2HB LYS 90 7.542 5.240 -14.058 696 2HB LYS 90 1HB LYS 90 6.414 4.477 -12.946 697 1HG LYS 90 2HG LYS 90 5.032 6.382 -12.875 698 2HG LYS 90 1HG LYS 90 6.260 7.395 -13.637 699 1HD LYS 90 2HD LYS 90 5.626 5.130 -15.306 700 2HD LYS 90 1HD LYS 90 4.164 6.027 -14.891 701 1HE LYS 90 2HE LYS 90 4.773 7.258 -16.689 702 2HE LYS 90 1HE LYS 90 5.771 8.079 -15.490 703 1HZ LYS 90 1HZ LYS 90 6.845 7.302 -17.671 704 2HZ LYS 90 2HZ LYS 90 6.826 5.760 -16.975 705 3HZ LYS 90 3HZ LYS 90 7.672 7.018 -16.224 706 H ALA 91 H ALA 91 7.488 4.470 -9.905 707 HA ALA 91 HA ALA 91 5.399 6.229 -8.802 708 1HB ALA 91 1HB ALA 91 4.245 4.434 -8.090 709 2HB ALA 91 2HB ALA 91 5.699 3.541 -7.645 710 3HB ALA 91 3HB ALA 91 5.175 3.590 -9.328 711 H ILE 92 H ILE 92 8.407 4.560 -8.092 712 HA ILE 92 HA ILE 92 8.416 5.330 -5.323 713 HB ILE 92 HB ILE 92 10.423 4.177 -5.088 714 1HG1 ILE 92 2HG1 ILE 92 10.865 4.635 -8.046 715 2HG1 ILE 92 1HG1 ILE 92 11.798 5.302 -6.712 716 1HG2 ILE 92 1HG2 ILE 92 9.862 2.415 -7.279 717 2HG2 ILE 92 2HG2 ILE 92 8.352 2.989 -6.573 718 3HG2 ILE 92 3HG2 ILE 92 9.551 2.190 -5.559 719 1HD1 ILE 92 1HD1 ILE 92 13.197 3.602 -6.874 720 2HD1 ILE 92 2HD1 ILE 92 12.214 2.890 -8.154 721 3HD1 ILE 92 3HD1 ILE 92 11.888 2.493 -6.467 722 H LYS 93 H LYS 93 9.816 6.539 -8.307 723 HA LYS 93 HA LYS 93 11.641 8.361 -7.190 724 1HB LYS 93 2HB LYS 93 11.574 7.662 -9.588 725 2HB LYS 93 1HB LYS 93 10.136 8.654 -9.795 726 1HG LYS 93 2HG LYS 93 11.714 10.524 -8.802 727 2HG LYS 93 1HG LYS 93 12.969 9.463 -9.446 728 1HD LYS 93 2HD LYS 93 10.748 9.909 -11.295 729 2HD LYS 93 1HD LYS 93 11.618 11.384 -10.865 730 1HE LYS 93 2HE LYS 93 12.582 10.352 -12.849 731 2HE LYS 93 1HE LYS 93 13.726 10.329 -11.508 732 1HZ LYS 93 1HZ LYS 93 13.669 8.094 -11.384 733 2HZ LYS 93 2HZ LYS 93 13.182 8.204 -12.999 734 3HZ LYS 93 3HZ LYS 93 12.028 7.986 -11.781 735 H LYS 94 H LYS 94 8.195 8.526 -7.733 736 HA LYS 94 HA LYS 94 7.865 11.311 -7.472 737 1HB LYS 94 2HB LYS 94 5.963 9.049 -6.858 738 2HB LYS 94 1HB LYS 94 5.506 10.746 -6.889 739 1HG LYS 94 2HG LYS 94 6.714 10.431 -9.320 740 2HG LYS 94 1HG LYS 94 5.925 8.871 -9.084 741 1HD LYS 94 2HD LYS 94 3.962 9.768 -9.622 742 2HD LYS 94 1HD LYS 94 4.109 10.916 -8.291 743 1HE LYS 94 2HE LYS 94 4.310 12.559 -9.770 744 2HE LYS 94 1HE LYS 94 5.807 11.831 -10.349 745 1HZ LYS 94 1HZ LYS 94 4.320 12.098 -12.179 746 2HZ LYS 94 2HZ LYS 94 3.068 11.308 -11.363 747 3HZ LYS 94 3HZ LYS 94 4.440 10.444 -11.847 748 H GLY 95 H GLY 95 7.142 8.782 -5.052 749 1HA GLY 95 2HA GLY 95 8.509 10.044 -2.943 750 2HA GLY 95 1HA GLY 95 6.830 10.553 -2.900 751 H ALA 96 H ALA 96 7.892 7.367 -3.953 752 HA ALA 96 HA ALA 96 6.267 6.189 -1.845 753 1HB ALA 96 1HB ALA 96 5.957 4.438 -3.215 754 2HB ALA 96 2HB ALA 96 7.659 4.366 -3.672 755 3HB ALA 96 3HB ALA 96 6.581 5.517 -4.462 756 H TYR 97 H TYR 97 7.526 3.739 -1.527 757 HA TYR 97 HA TYR 97 9.976 4.522 -0.094 758 1HB TYR 97 2HB TYR 97 7.942 3.778 1.247 759 2HB TYR 97 1HB TYR 97 8.219 2.172 0.585 760 HD1 TYR 97 1HD TYR 97 9.491 0.704 1.828 761 HD2 TYR 97 2HD TYR 97 10.110 4.882 2.332 762 HE1 TYR 97 1HE TYR 97 11.113 0.241 3.618 763 HE2 TYR 97 2HE TYR 97 11.733 4.431 4.124 764 HH TYR 97 HH TYR 97 12.329 2.703 5.679 765 H GLU 98 H GLU 98 9.691 3.594 -2.869 766 HA GLU 98 HA GLU 98 10.974 2.391 -4.307 767 1HB GLU 98 2HB GLU 98 12.984 1.577 -3.639 768 2HB GLU 98 1HB GLU 98 12.601 2.492 -2.193 769 1HG GLU 98 2HG GLU 98 13.041 0.619 -1.086 770 2HG GLU 98 1HG GLU 98 11.484 0.037 -1.664 771 H PHE 99 H PHE 99 10.673 0.523 -5.448 772 HA PHE 99 HA PHE 99 8.428 -1.053 -4.777 773 1HB PHE 99 2HB PHE 99 10.212 -0.738 -7.024 774 2HB PHE 99 1HB PHE 99 9.893 -2.443 -6.737 775 HD1 PHE 99 1HD PHE 99 8.357 -3.187 -8.271 776 HD2 PHE 99 2HD PHE 99 7.757 0.602 -6.427 777 HE1 PHE 99 1HE PHE 99 6.195 -2.971 -9.426 778 HE2 PHE 99 2HE PHE 99 5.593 0.824 -7.578 779 HZ PHE 99 HZ PHE 99 4.809 -0.965 -9.078 780 H LEU 100 H LEU 100 8.318 -2.661 -3.369 781 HA LEU 100 HA LEU 100 10.501 -3.792 -2.048 782 1HB LEU 100 2HB LEU 100 7.845 -3.795 -1.639 783 2HB LEU 100 1HB LEU 100 8.030 -5.408 -2.299 784 HG LEU 100 HG LEU 100 8.156 -5.707 0.016 785 1HD1 LEU 100 1HD1 LEU 100 10.103 -6.615 -1.433 786 2HD1 LEU 100 2HD1 LEU 100 10.222 -6.692 0.325 787 3HD1 LEU 100 3HD1 LEU 100 11.074 -5.427 -0.562 788 1HD2 LEU 100 1HD2 LEU 100 10.193 -3.511 0.267 789 2HD2 LEU 100 2HD2 LEU 100 9.297 -4.328 1.548 790 3HD2 LEU 100 3HD2 LEU 100 8.462 -3.231 0.449 791 H GLU 101 H GLU 101 11.867 -5.392 -2.542 792 HA GLU 101 HA GLU 101 11.975 -6.508 -5.115 793 1HB GLU 101 2HB GLU 101 13.381 -7.037 -2.531 794 2HB GLU 101 1HB GLU 101 13.569 -8.187 -3.848 795 1HG GLU 101 2HG GLU 101 14.352 -6.356 -5.297 796 2HG GLU 101 1HG GLU 101 14.234 -5.253 -3.926 797 H LYS 102 H LYS 102 11.496 -8.308 -2.074 798 HA LYS 102 HA LYS 102 10.313 -10.189 -1.590 799 1HB LYS 102 2HB LYS 102 8.551 -8.518 -2.775 800 2HB LYS 102 1HB LYS 102 8.461 -9.884 -3.878 801 1HG LYS 102 2HG LYS 102 8.358 -10.870 -1.211 802 2HG LYS 102 1HG LYS 102 7.194 -9.555 -1.374 803 1HD LYS 102 2HD LYS 102 7.265 -11.512 -3.585 804 2HD LYS 102 1HD LYS 102 6.661 -12.108 -2.037 805 1HE LYS 102 2HE LYS 102 5.327 -9.784 -2.176 806 2HE LYS 102 1HE LYS 102 5.504 -10.122 -3.898 807 1HZ LYS 102 1HZ LYS 102 4.131 -11.892 -3.785 808 2HZ LYS 102 2HZ LYS 102 3.510 -11.066 -2.444 809 3HZ LYS 102 3HZ LYS 102 4.611 -12.330 -2.223 810 HA PRO 103 HA PRO 103 12.195 -12.394 -5.278 811 1HB PRO 103 2HB PRO 103 14.555 -13.132 -4.249 812 2HB PRO 103 1HB PRO 103 14.313 -11.524 -4.943 813 1HG PRO 103 2HG PRO 103 14.340 -12.366 -2.072 814 2HG PRO 103 1HG PRO 103 15.056 -10.929 -2.824 815 1HD PRO 103 2HD PRO 103 12.648 -10.944 -1.488 816 2HD PRO 103 1HD PRO 103 13.092 -9.762 -2.735 817 H PHE 104 H PHE 104 11.093 -13.085 -2.230 818 HA PHE 104 HA PHE 104 11.286 -15.974 -2.732 819 1HB PHE 104 2HB PHE 104 12.777 -14.958 -0.813 820 2HB PHE 104 1HB PHE 104 11.262 -14.961 0.083 821 HD1 PHE 104 1HD PHE 104 12.710 -17.390 -2.346 822 HD2 PHE 104 2HD PHE 104 11.344 -16.670 1.620 823 HE1 PHE 104 1HE PHE 104 13.042 -19.766 -1.805 824 HE2 PHE 104 2HE PHE 104 11.674 -19.046 2.169 825 HZ PHE 104 HZ PHE 104 12.523 -20.598 0.455 826 H SER 105 H SER 105 9.673 -13.693 -0.503 827 HA SER 105 HA SER 105 7.079 -14.243 -1.497 828 1HB SER 105 2HB SER 105 6.153 -15.597 0.234 829 2HB SER 105 1HB SER 105 7.634 -16.404 -0.281 830 HG SER 105 HG SER 105 8.034 -16.352 1.793 831 H VAL 106 H VAL 106 5.389 -13.540 0.318 832 HA VAL 106 HA VAL 106 5.734 -10.832 0.771 833 HB VAL 106 HB VAL 106 3.546 -11.932 0.830 834 1HG1 VAL 106 1HG1 VAL 106 4.141 -12.891 3.606 835 2HG1 VAL 106 2HG1 VAL 106 4.467 -13.899 2.197 836 3HG1 VAL 106 3HG1 VAL 106 2.823 -13.354 2.529 837 1HG2 VAL 106 1HG2 VAL 106 2.683 -10.795 2.945 838 2HG2 VAL 106 2HG2 VAL 106 3.525 -9.783 1.771 839 3HG2 VAL 106 3HG2 VAL 106 4.358 -10.319 3.230 840 H GLU 107 H GLU 107 6.475 -13.553 2.900 841 HA GLU 107 HA GLU 107 6.876 -12.509 5.326 842 1HB GLU 107 2HB GLU 107 7.477 -14.832 4.442 843 2HB GLU 107 1HB GLU 107 9.058 -14.151 4.081 844 1HG GLU 107 2HG GLU 107 8.756 -13.375 6.649 845 2HG GLU 107 1HG GLU 107 7.855 -14.891 6.653 846 H ARG 108 H ARG 108 9.002 -11.948 2.564 847 HA ARG 108 HA ARG 108 10.991 -10.526 4.029 848 1HB ARG 108 2HB ARG 108 11.458 -11.588 1.857 849 2HB ARG 108 1HB ARG 108 10.352 -10.469 1.072 850 1HG ARG 108 2HG ARG 108 12.197 -9.277 0.661 851 2HG ARG 108 1HG ARG 108 12.028 -8.749 2.336 852 1HD ARG 108 2HD ARG 108 14.312 -9.512 1.802 853 2HD ARG 108 1HD ARG 108 13.554 -10.469 3.074 854 HE ARG 108 HE ARG 108 13.094 -11.707 0.596 855 1HH1 ARG 108 1HH1 ARG 108 15.700 -11.059 2.824 856 2HH1 ARG 108 2HH1 ARG 108 16.613 -12.455 2.359 857 1HH2 ARG 108 1HH2 ARG 108 14.291 -13.545 -0.017 858 2HH2 ARG 108 2HH2 ARG 108 15.812 -13.868 0.746 859 H PHE 109 H PHE 109 8.174 -9.593 2.130 860 HA PHE 109 HA PHE 109 8.508 -6.825 2.128 861 1HB PHE 109 2HB PHE 109 6.838 -7.762 0.717 862 2HB PHE 109 1HB PHE 109 6.050 -8.575 2.063 863 HD1 PHE 109 1HD PHE 109 7.173 -5.043 1.840 864 HD2 PHE 109 2HD PHE 109 3.882 -7.735 2.010 865 HE1 PHE 109 1HE PHE 109 5.634 -3.139 2.084 866 HE2 PHE 109 2HE PHE 109 2.336 -5.837 2.254 867 HZ PHE 109 HZ PHE 109 3.212 -3.535 2.292 868 H LEU 110 H LEU 110 7.378 -8.987 4.623 869 HA LEU 110 HA LEU 110 6.072 -7.180 6.296 870 1HB LEU 110 2HB LEU 110 6.970 -9.865 6.421 871 2HB LEU 110 1HB LEU 110 7.438 -9.054 7.904 872 HG LEU 110 HG LEU 110 4.629 -9.011 6.819 873 1HD1 LEU 110 1HD1 LEU 110 4.298 -10.636 8.802 874 2HD1 LEU 110 2HD1 LEU 110 6.018 -10.968 8.595 875 3HD1 LEU 110 3HD1 LEU 110 4.896 -11.257 7.264 876 1HD2 LEU 110 1HD2 LEU 110 5.011 -7.204 8.313 877 2HD2 LEU 110 2HD2 LEU 110 5.876 -8.240 9.448 878 3HD2 LEU 110 3HD2 LEU 110 4.138 -8.441 9.216 879 H LEU 111 H LEU 111 9.497 -8.075 6.148 880 HA LEU 111 HA LEU 111 10.430 -6.723 8.375 881 1HB LEU 111 2HB LEU 111 11.741 -7.198 5.710 882 2HB LEU 111 1HB LEU 111 12.586 -6.524 7.089 883 HG LEU 111 HG LEU 111 11.455 -8.828 8.117 884 1HD1 LEU 111 1HD1 LEU 111 10.940 -9.366 5.666 885 2HD1 LEU 111 2HD1 LEU 111 11.756 -10.597 6.630 886 3HD1 LEU 111 3HD1 LEU 111 12.679 -9.610 5.496 887 1HD2 LEU 111 1HD2 LEU 111 13.575 -8.488 8.836 888 2HD2 LEU 111 2HD2 LEU 111 14.138 -7.930 7.260 889 3HD2 LEU 111 3HD2 LEU 111 13.937 -9.656 7.566 890 H THR 112 H THR 112 10.200 -5.487 5.043 891 HA THR 112 HA THR 112 11.116 -2.902 5.572 892 HB THR 112 HB THR 112 9.192 -3.876 3.455 893 HG1 THR 112 1HG THR 112 11.115 -3.834 2.179 894 1HG2 THR 112 1HG2 THR 112 10.811 -1.650 2.653 895 2HG2 THR 112 2HG2 THR 112 9.817 -1.222 4.045 896 3HG2 THR 112 3HG2 THR 112 9.061 -1.851 2.580 897 H ILE 113 H ILE 113 7.849 -4.255 5.684 898 HA ILE 113 HA ILE 113 6.340 -1.979 5.965 899 HB ILE 113 HB ILE 113 6.029 -4.754 7.019 900 1HG1 ILE 113 2HG1 ILE 113 5.465 -4.188 4.681 901 2HG1 ILE 113 1HG1 ILE 113 4.057 -4.732 5.587 902 1HG2 ILE 113 1HG2 ILE 113 4.440 -2.377 7.916 903 2HG2 ILE 113 2HG2 ILE 113 5.107 -3.698 8.875 904 3HG2 ILE 113 3HG2 ILE 113 3.711 -3.982 7.836 905 1HD1 ILE 113 1HD1 ILE 113 3.675 -2.188 5.975 906 2HD1 ILE 113 2HD1 ILE 113 3.218 -2.933 4.443 907 3HD1 ILE 113 3HD1 ILE 113 4.719 -2.017 4.564 908 H LYS 114 H LYS 114 7.695 -3.855 8.695 909 HA LYS 114 HA LYS 114 6.932 -2.207 10.756 910 1HB LYS 114 2HB LYS 114 8.092 -4.368 11.066 911 2HB LYS 114 1HB LYS 114 9.585 -3.639 10.493 912 1HG LYS 114 2HG LYS 114 8.236 -2.329 12.777 913 2HG LYS 114 1HG LYS 114 9.001 -3.890 13.073 914 1HD LYS 114 2HD LYS 114 10.343 -1.472 11.865 915 2HD LYS 114 1HD LYS 114 10.530 -2.029 13.528 916 1HE LYS 114 2HE LYS 114 11.181 -4.286 12.295 917 2HE LYS 114 1HE LYS 114 11.609 -3.163 11.004 918 1HZ LYS 114 1HZ LYS 114 12.567 -2.683 13.747 919 2HZ LYS 114 2HZ LYS 114 13.241 -2.186 12.277 920 3HZ LYS 114 3HZ LYS 114 13.365 -3.804 12.761 921 H HIS 115 H HIS 115 10.118 -2.141 9.186 922 HA HIS 115 HA HIS 115 11.044 0.230 10.216 923 1HB HIS 115 2HB HIS 115 12.138 -1.528 8.611 924 2HB HIS 115 1HB HIS 115 11.605 -0.414 7.358 925 HD1 HIS 115 1HD HIS 115 14.232 -0.119 6.918 926 HD2 HIS 115 2HD HIS 115 12.802 1.387 10.517 927 HE1 HIS 115 1HE HIS 115 16.024 1.433 7.755 928 HE2 HIS 115 2HE HIS 115 15.182 2.251 9.984 929 H ALA 116 H ALA 116 8.639 -0.266 7.740 930 HA ALA 116 HA ALA 116 8.717 2.329 6.601 931 1HB ALA 116 1HB ALA 116 6.090 1.053 6.608 932 2HB ALA 116 2HB ALA 116 7.385 -0.006 6.045 933 3HB ALA 116 3HB ALA 116 7.108 1.546 5.254 934 H PHE 117 H PHE 117 6.935 0.904 9.291 935 HA PHE 117 HA PHE 117 5.325 3.192 9.812 936 1HB PHE 117 2HB PHE 117 5.929 0.627 11.215 937 2HB PHE 117 1HB PHE 117 5.170 1.927 12.129 938 HD1 PHE 117 1HD PHE 117 2.931 2.647 11.637 939 HD2 PHE 117 2HD PHE 117 4.746 -0.498 9.419 940 HE1 PHE 117 1HE PHE 117 0.728 2.016 10.747 941 HE2 PHE 117 2HE PHE 117 2.547 -1.134 8.524 942 HZ PHE 117 HZ PHE 117 0.535 0.128 9.185 943 H GLU 118 H GLU 118 8.501 2.147 10.822 944 HA GLU 118 HA GLU 118 8.673 4.167 12.899 945 1HB GLU 118 2HB GLU 118 10.342 1.889 12.007 946 2HB GLU 118 1HB GLU 118 11.160 3.227 12.802 947 1HG GLU 118 2HG GLU 118 8.778 2.424 14.229 948 2HG GLU 118 1HG GLU 118 9.905 1.085 14.020 949 H GLU 119 H GLU 119 9.953 3.563 9.676 950 HA GLU 119 HA GLU 119 11.711 5.819 9.697 951 1HB GLU 119 2HB GLU 119 10.717 4.028 7.493 952 2HB GLU 119 1HB GLU 119 11.829 5.362 7.213 953 1HG GLU 119 2HG GLU 119 12.718 3.644 9.367 954 2HG GLU 119 1HG GLU 119 12.493 2.759 7.859 955 H TYR 120 H TYR 120 8.401 5.635 9.541 956 HA TYR 120 HA TYR 120 8.253 8.328 8.431 957 1HB TYR 120 2HB TYR 120 7.576 6.158 6.863 958 2HB TYR 120 1HB TYR 120 6.024 6.668 7.519 959 HD1 TYR 120 1HD TYR 120 5.951 9.458 7.550 960 HD2 TYR 120 2HD TYR 120 7.962 6.968 4.749 961 HE1 TYR 120 1HE TYR 120 5.837 11.257 5.878 962 HE2 TYR 120 2HE TYR 120 7.853 8.759 3.068 963 HH TYR 120 HH TYR 120 5.914 11.545 3.475 964 H SER 121 H SER 121 8.123 7.676 11.085 965 HA SER 121 HA SER 121 5.719 8.867 11.893 966 1HB SER 121 2HB SER 121 5.202 6.284 11.262 967 2HB SER 121 1HB SER 121 5.648 6.105 12.958 968 HG SER 121 HG SER 121 4.094 7.908 13.293 Start of MODEL 37 1 1H MET 1 1HT MET 1 -1.470 1.321 18.124 2 2H MET 1 2HT MET 1 -3.030 1.386 18.835 3 3H MET 1 3HT MET 1 -2.644 2.410 17.513 4 HA MET 1 HA MET 1 -2.579 -0.518 17.336 5 1HB MET 1 2HB MET 1 -4.823 0.851 17.967 6 2HB MET 1 1HB MET 1 -4.861 1.005 16.216 7 1HG MET 1 2HG MET 1 -5.516 -1.097 15.948 8 2HG MET 1 1HG MET 1 -4.277 -1.704 17.046 9 1HE MET 1 1HE MET 1 -7.121 -2.866 16.548 10 2HE MET 1 2HE MET 1 -7.888 -3.117 18.117 11 3HE MET 1 3HE MET 1 -6.234 -3.666 17.844 12 H LYS 2 H LYS 2 -1.732 -1.144 15.456 13 HA LYS 2 HA LYS 2 -1.126 0.888 13.449 14 1HB LYS 2 2HB LYS 2 -0.219 -1.991 13.606 15 2HB LYS 2 1HB LYS 2 0.384 -0.773 12.491 16 1HG LYS 2 2HG LYS 2 0.706 -0.797 15.483 17 2HG LYS 2 1HG LYS 2 1.961 -1.078 14.275 18 1HD LYS 2 2HD LYS 2 1.042 1.334 13.477 19 2HD LYS 2 1HD LYS 2 0.756 1.445 15.214 20 1HE LYS 2 2HE LYS 2 3.378 0.358 14.454 21 2HE LYS 2 1HE LYS 2 3.109 2.037 13.991 22 1HZ LYS 2 1HZ LYS 2 3.004 0.868 16.710 23 2HZ LYS 2 2HZ LYS 2 2.402 2.409 16.356 24 3HZ LYS 2 3HZ LYS 2 4.045 2.069 16.136 25 H ARG 3 H ARG 3 -1.532 0.521 11.197 26 HA ARG 3 HA ARG 3 -3.240 -1.598 10.326 27 1HB ARG 3 2HB ARG 3 -4.973 0.303 9.558 28 2HB ARG 3 1HB ARG 3 -5.153 -0.613 11.045 29 1HG ARG 3 2HG ARG 3 -5.513 1.569 11.712 30 2HG ARG 3 1HG ARG 3 -3.824 1.296 12.138 31 1HD ARG 3 2HD ARG 3 -3.044 2.557 10.326 32 2HD ARG 3 1HD ARG 3 -4.597 2.487 9.497 33 HE ARG 3 HE ARG 3 -3.774 4.442 11.365 34 1HH1 ARG 3 1HH1 ARG 3 -6.572 2.592 10.401 35 2HH1 ARG 3 2HH1 ARG 3 -7.703 3.778 10.960 36 1HH2 ARG 3 1HH2 ARG 3 -5.259 6.003 12.098 37 2HH2 ARG 3 2HH2 ARG 3 -6.959 5.716 11.922 38 H VAL 4 H VAL 4 -2.747 -1.972 8.262 39 HA VAL 4 HA VAL 4 -1.648 0.256 6.671 40 HB VAL 4 HB VAL 4 -1.085 -2.682 6.260 41 1HG1 VAL 4 1HG1 VAL 4 0.859 -0.801 5.240 42 2HG1 VAL 4 2HG1 VAL 4 -0.743 -0.499 4.569 43 3HG1 VAL 4 3HG1 VAL 4 -0.006 -2.090 4.405 44 1HG2 VAL 4 1HG2 VAL 4 0.699 -0.622 7.556 45 2HG2 VAL 4 2HG2 VAL 4 1.061 -2.330 7.301 46 3HG2 VAL 4 3HG2 VAL 4 -0.209 -1.857 8.429 47 H LEU 5 H LEU 5 -2.363 0.547 4.576 48 HA LEU 5 HA LEU 5 -4.899 -0.747 3.947 49 1HB LEU 5 2HB LEU 5 -4.807 1.694 3.882 50 2HB LEU 5 1HB LEU 5 -3.525 1.627 2.688 51 HG LEU 5 HG LEU 5 -5.108 0.529 1.111 52 1HD1 LEU 5 1HD1 LEU 5 -7.347 0.222 1.571 53 2HD1 LEU 5 2HD1 LEU 5 -7.339 1.360 2.916 54 3HD1 LEU 5 3HD1 LEU 5 -6.595 -0.228 3.100 55 1HD2 LEU 5 1HD2 LEU 5 -6.675 2.714 1.121 56 2HD2 LEU 5 2HD2 LEU 5 -5.015 2.707 0.524 57 3HD2 LEU 5 3HD2 LEU 5 -5.363 3.274 2.157 58 H VAL 6 H VAL 6 -5.139 -2.214 2.387 59 HA VAL 6 HA VAL 6 -2.849 -2.689 0.586 60 HB VAL 6 HB VAL 6 -4.902 -4.738 1.408 61 1HG1 VAL 6 1HG1 VAL 6 -3.892 -5.384 -0.617 62 2HG1 VAL 6 2HG1 VAL 6 -3.038 -6.283 0.637 63 3HG1 VAL 6 3HG1 VAL 6 -2.296 -4.855 -0.085 64 1HG2 VAL 6 1HG2 VAL 6 -3.652 -5.396 3.187 65 2HG2 VAL 6 2HG2 VAL 6 -3.234 -3.684 3.197 66 3HG2 VAL 6 3HG2 VAL 6 -2.137 -4.854 2.465 67 H VAL 7 H VAL 7 -3.353 -1.743 -1.310 68 HA VAL 7 HA VAL 7 -6.082 -1.908 -2.315 69 HB VAL 7 HB VAL 7 -3.691 -0.532 -3.555 70 1HG1 VAL 7 1HG1 VAL 7 -6.529 -0.810 -4.322 71 2HG1 VAL 7 2HG1 VAL 7 -5.097 -0.579 -5.324 72 3HG1 VAL 7 3HG1 VAL 7 -5.823 0.798 -4.494 73 1HG2 VAL 7 1HG2 VAL 7 -5.894 0.642 -1.861 74 2HG2 VAL 7 2HG2 VAL 7 -4.587 1.534 -2.639 75 3HG2 VAL 7 3HG2 VAL 7 -4.225 0.389 -1.347 76 H ASP 8 H ASP 8 -6.731 -3.402 -3.691 77 HA ASP 8 HA ASP 8 -5.145 -4.370 -5.836 78 1HB ASP 8 2HB ASP 8 -4.032 -5.669 -4.126 79 2HB ASP 8 1HB ASP 8 -5.574 -6.220 -3.479 80 H ASP 9 H ASP 9 -6.314 -5.901 -7.179 81 HA ASP 9 HA ASP 9 -9.180 -5.463 -6.986 82 1HB ASP 9 2HB ASP 9 -7.864 -5.125 -9.120 83 2HB ASP 9 1HB ASP 9 -7.686 -6.875 -9.197 84 H GLU 10 H GLU 10 -8.486 -7.084 -4.970 85 HA GLU 10 HA GLU 10 -9.180 -9.800 -5.861 86 1HB GLU 10 2HB GLU 10 -7.288 -8.793 -3.933 87 2HB GLU 10 1HB GLU 10 -8.435 -9.866 -3.144 88 1HG GLU 10 2HG GLU 10 -7.913 -11.632 -4.712 89 2HG GLU 10 1HG GLU 10 -6.827 -10.558 -5.591 90 H GLU 11 H GLU 11 -10.167 -10.915 -3.616 91 HA GLU 11 HA GLU 11 -12.817 -9.893 -3.523 92 1HB GLU 11 2HB GLU 11 -11.807 -12.328 -3.113 93 2HB GLU 11 1HB GLU 11 -11.875 -11.797 -1.438 94 1HG GLU 11 2HG GLU 11 -13.869 -13.052 -2.127 95 2HG GLU 11 1HG GLU 11 -14.242 -11.409 -1.603 96 H SER 12 H SER 12 -10.563 -10.421 -0.808 97 HA SER 12 HA SER 12 -11.493 -7.885 0.353 98 1HB SER 12 2HB SER 12 -12.700 -9.457 1.631 99 2HB SER 12 1HB SER 12 -11.345 -10.585 1.684 100 HG SER 12 HG SER 12 -11.512 -8.069 2.989 101 H ILE 13 H ILE 13 -9.279 -10.363 1.589 102 HA ILE 13 HA ILE 13 -7.193 -8.316 1.786 103 HB ILE 13 HB ILE 13 -7.006 -11.094 2.908 104 1HG1 ILE 13 2HG1 ILE 13 -9.116 -10.008 3.692 105 2HG1 ILE 13 1HG1 ILE 13 -7.968 -10.331 4.987 106 1HG2 ILE 13 1HG2 ILE 13 -4.931 -10.158 3.113 107 2HG2 ILE 13 2HG2 ILE 13 -5.663 -9.645 4.634 108 3HG2 ILE 13 3HG2 ILE 13 -5.565 -8.520 3.278 109 1HD1 ILE 13 1HD1 ILE 13 -7.333 -7.773 4.188 110 2HD1 ILE 13 2HD1 ILE 13 -8.293 -8.224 5.597 111 3HD1 ILE 13 3HD1 ILE 13 -9.092 -7.822 4.078 112 H THR 14 H THR 14 -4.954 -8.979 1.327 113 HA THR 14 HA THR 14 -4.845 -10.387 -1.215 114 HB THR 14 HB THR 14 -2.561 -9.483 -1.375 115 HG1 THR 14 1HG THR 14 -1.586 -8.614 0.280 116 1HG2 THR 14 1HG2 THR 14 -3.043 -7.125 -1.488 117 2HG2 THR 14 2HG2 THR 14 -4.478 -7.339 -0.486 118 3HG2 THR 14 3HG2 THR 14 -4.419 -8.042 -2.102 119 H SER 15 H SER 15 -3.644 -12.229 -1.591 120 HA SER 15 HA SER 15 -3.483 -14.147 0.385 121 1HB SER 15 2HB SER 15 -1.643 -15.105 -1.316 122 2HB SER 15 1HB SER 15 -3.370 -15.132 -1.673 123 HG SER 15 HG SER 15 -1.537 -13.120 -2.484 124 H SER 16 H SER 16 -2.009 -14.818 1.835 125 HA SER 16 HA SER 16 -0.019 -15.038 2.956 126 1HB SER 16 2HB SER 16 1.280 -12.829 1.404 127 2HB SER 16 1HB SER 16 2.003 -14.273 2.110 128 HG SER 16 HG SER 16 1.507 -15.380 0.375 129 H LEU 17 H LEU 17 -1.198 -11.793 2.215 130 HA LEU 17 HA LEU 17 0.007 -10.433 4.332 131 1HB LEU 17 2HB LEU 17 -1.915 -9.887 2.325 132 2HB LEU 17 1HB LEU 17 -2.630 -9.402 3.847 133 HG LEU 17 HG LEU 17 -0.525 -8.125 2.272 134 1HD1 LEU 17 1HD1 LEU 17 -2.509 -6.951 2.636 135 2HD1 LEU 17 2HD1 LEU 17 -1.319 -6.185 3.688 136 3HD1 LEU 17 3HD1 LEU 17 -2.505 -7.304 4.363 137 1HD2 LEU 17 1HD2 LEU 17 0.514 -7.158 4.415 138 2HD2 LEU 17 2HD2 LEU 17 1.059 -8.743 3.870 139 3HD2 LEU 17 3HD2 LEU 17 -0.091 -8.617 5.200 140 H SER 18 H SER 18 -3.243 -11.880 4.162 141 HA SER 18 HA SER 18 -4.229 -11.286 6.629 142 1HB SER 18 2HB SER 18 -5.426 -13.524 6.501 143 2HB SER 18 1HB SER 18 -5.618 -12.468 5.102 144 HG SER 18 HG SER 18 -4.086 -13.698 4.009 145 H ALA 19 H ALA 19 -2.645 -14.422 6.003 146 HA ALA 19 HA ALA 19 -2.384 -15.278 8.599 147 1HB ALA 19 1HB ALA 19 -0.675 -15.755 6.180 148 2HB ALA 19 2HB ALA 19 -1.860 -16.826 6.927 149 3HB ALA 19 3HB ALA 19 -0.320 -16.519 7.729 150 H ILE 20 H ILE 20 -0.219 -13.145 6.803 151 HA ILE 20 HA ILE 20 1.818 -13.007 8.753 152 HB ILE 20 HB ILE 20 1.054 -11.203 6.472 153 1HG1 ILE 20 2HG1 ILE 20 3.566 -12.807 6.864 154 2HG1 ILE 20 1HG1 ILE 20 2.110 -13.506 6.164 155 1HG2 ILE 20 1HG2 ILE 20 3.182 -10.797 8.538 156 2HG2 ILE 20 2HG2 ILE 20 2.021 -9.636 7.892 157 3HG2 ILE 20 3HG2 ILE 20 3.373 -10.178 6.897 158 1HD1 ILE 20 1HD1 ILE 20 3.830 -12.692 4.534 159 2HD1 ILE 20 2HD1 ILE 20 3.441 -11.054 5.060 160 3HD1 ILE 20 3HD1 ILE 20 2.201 -12.056 4.305 161 H LEU 21 H LEU 21 -0.471 -10.405 7.873 162 HA LEU 21 HA LEU 21 -0.036 -8.700 9.954 163 1HB LEU 21 2HB LEU 21 -2.756 -9.338 8.831 164 2HB LEU 21 1HB LEU 21 -2.263 -7.843 9.606 165 HG LEU 21 HG LEU 21 -0.569 -8.511 7.337 166 1HD1 LEU 21 1HD1 LEU 21 -3.123 -9.291 6.895 167 2HD1 LEU 21 2HD1 LEU 21 -2.019 -8.713 5.648 168 3HD1 LEU 21 3HD1 LEU 21 -3.183 -7.607 6.375 169 1HD2 LEU 21 1HD2 LEU 21 -2.119 -6.166 8.351 170 2HD2 LEU 21 2HD2 LEU 21 -1.413 -6.144 6.735 171 3HD2 LEU 21 3HD2 LEU 21 -0.377 -6.355 8.147 172 H GLU 22 H GLU 22 -1.793 -11.717 10.035 173 HA GLU 22 HA GLU 22 -3.053 -11.303 12.553 174 1HB GLU 22 2HB GLU 22 -2.583 -13.669 10.794 175 2HB GLU 22 1HB GLU 22 -3.151 -13.909 12.441 176 1HG GLU 22 2HG GLU 22 -4.851 -11.983 11.560 177 2HG GLU 22 1HG GLU 22 -4.564 -12.905 10.086 178 H GLU 23 H GLU 23 0.050 -12.534 11.530 179 HA GLU 23 HA GLU 23 0.716 -13.539 14.160 180 1HB GLU 23 2HB GLU 23 1.637 -14.810 12.401 181 2HB GLU 23 1HB GLU 23 2.163 -13.381 11.526 182 1HG GLU 23 2HG GLU 23 4.121 -13.331 12.573 183 2HG GLU 23 1HG GLU 23 3.385 -13.600 14.151 184 H GLU 24 H GLU 24 1.402 -10.745 12.142 185 HA GLU 24 HA GLU 24 3.364 -9.654 13.935 186 1HB GLU 24 2HB GLU 24 1.891 -8.405 11.612 187 2HB GLU 24 1HB GLU 24 3.222 -7.651 12.480 188 1HG GLU 24 2HG GLU 24 3.442 -10.282 11.041 189 2HG GLU 24 1HG GLU 24 3.841 -8.726 10.315 190 H GLY 25 H GLY 25 -0.064 -9.137 13.280 191 1HA GLY 25 2HA GLY 25 -1.571 -8.506 15.016 192 2HA GLY 25 1HA GLY 25 -0.243 -7.685 15.816 193 H TYR 26 H TYR 26 -0.870 -7.350 12.396 194 HA TYR 26 HA TYR 26 -1.269 -4.494 12.774 195 1HB TYR 26 2HB TYR 26 -0.770 -6.230 10.369 196 2HB TYR 26 1HB TYR 26 -1.265 -4.553 10.196 197 HD1 TYR 26 1HD TYR 26 0.186 -2.899 11.774 198 HD2 TYR 26 2HD TYR 26 1.489 -6.643 10.233 199 HE1 TYR 26 1HE TYR 26 2.524 -2.174 12.008 200 HE2 TYR 26 2HE TYR 26 3.831 -5.930 10.464 201 HH TYR 26 HH TYR 26 4.802 -3.368 12.294 202 H HIS 27 H HIS 27 -2.842 -3.665 10.831 203 HA HIS 27 HA HIS 27 -5.349 -5.167 10.936 204 1HB HIS 27 2HB HIS 27 -4.855 -2.911 12.535 205 2HB HIS 27 1HB HIS 27 -5.866 -2.338 11.215 206 HD1 HIS 27 1HD HIS 27 -8.312 -2.779 11.418 207 HD2 HIS 27 2HD HIS 27 -6.066 -5.152 13.985 208 HE1 HIS 27 1HE HIS 27 -9.986 -3.989 12.852 209 HE2 HIS 27 2HE HIS 27 -8.606 -5.496 14.327 210 HA PRO 28 HA PRO 28 -4.646 -3.633 6.702 211 1HB PRO 28 2HB PRO 28 -5.713 -5.737 5.421 212 2HB PRO 28 1HB PRO 28 -4.085 -5.788 6.112 213 1HG PRO 28 2HG PRO 28 -6.644 -6.886 7.211 214 2HG PRO 28 1HG PRO 28 -5.032 -7.623 7.182 215 1HD PRO 28 2HD PRO 28 -6.095 -6.367 9.372 216 2HD PRO 28 1HD PRO 28 -4.353 -6.496 9.059 217 H ASP 29 H ASP 29 -5.978 -2.346 5.605 218 HA ASP 29 HA ASP 29 -8.837 -2.575 6.131 219 1HB ASP 29 2HB ASP 29 -7.413 -0.398 6.537 220 2HB ASP 29 1HB ASP 29 -7.739 -0.156 4.824 221 H THR 30 H THR 30 -6.613 -3.147 3.836 222 HA THR 30 HA THR 30 -6.601 -3.535 1.600 223 HB THR 30 HB THR 30 -8.445 -5.014 0.856 224 HG1 THR 30 1HG THR 30 -10.108 -4.012 2.095 225 1HG2 THR 30 1HG2 THR 30 -8.149 -6.785 2.557 226 2HG2 THR 30 2HG2 THR 30 -7.292 -5.620 3.566 227 3HG2 THR 30 3HG2 THR 30 -6.634 -6.078 1.995 228 H ALA 31 H ALA 31 -7.978 -3.484 -0.483 229 HA ALA 31 HA ALA 31 -9.964 -1.414 -0.646 230 1HB ALA 31 1HB ALA 31 -7.397 -0.515 -0.707 231 2HB ALA 31 2HB ALA 31 -8.762 0.294 -1.475 232 3HB ALA 31 3HB ALA 31 -7.721 -0.769 -2.422 233 H LYS 32 H LYS 32 -9.793 -0.866 -3.358 234 HA LYS 32 HA LYS 32 -9.914 -3.521 -4.623 235 1HB LYS 32 2HB LYS 32 -11.858 -1.380 -5.406 236 2HB LYS 32 1HB LYS 32 -11.989 -3.122 -5.598 237 1HG LYS 32 2HG LYS 32 -12.446 -3.409 -3.267 238 2HG LYS 32 1HG LYS 32 -12.112 -1.706 -2.947 239 1HD LYS 32 2HD LYS 32 -14.495 -2.032 -3.001 240 2HD LYS 32 1HD LYS 32 -14.015 -1.111 -4.428 241 1HE LYS 32 2HE LYS 32 -13.990 -3.274 -5.696 242 2HE LYS 32 1HE LYS 32 -14.703 -4.041 -4.278 243 1HZ LYS 32 1HZ LYS 32 -16.136 -3.012 -6.260 244 2HZ LYS 32 2HZ LYS 32 -16.049 -1.657 -5.250 245 3HZ LYS 32 3HZ LYS 32 -16.698 -3.106 -4.668 246 H THR 33 H THR 33 -9.516 -0.051 -5.020 247 HA THR 33 HA THR 33 -7.584 -0.424 -7.093 248 HB THR 33 HB THR 33 -8.935 1.139 -8.674 249 HG1 THR 33 1HG THR 33 -10.924 1.471 -8.154 250 1HG2 THR 33 1HG2 THR 33 -8.466 -1.455 -8.849 251 2HG2 THR 33 2HG2 THR 33 -9.538 -0.617 -9.971 252 3HG2 THR 33 3HG2 THR 33 -10.214 -1.530 -8.622 253 H LEU 34 H LEU 34 -7.092 1.919 -8.061 254 HA LEU 34 HA LEU 34 -6.222 3.468 -5.882 255 1HB LEU 34 2HB LEU 34 -6.473 4.141 -8.813 256 2HB LEU 34 1HB LEU 34 -5.707 5.195 -7.638 257 HG LEU 34 HG LEU 34 -4.794 2.408 -8.356 258 1HD1 LEU 34 1HD1 LEU 34 -3.256 3.301 -9.755 259 2HD1 LEU 34 2HD1 LEU 34 -3.115 4.795 -8.828 260 3HD1 LEU 34 3HD1 LEU 34 -4.487 4.555 -9.909 261 1HD2 LEU 34 1HD2 LEU 34 -4.220 4.123 -6.095 262 2HD2 LEU 34 2HD2 LEU 34 -2.765 3.746 -7.016 263 3HD2 LEU 34 3HD2 LEU 34 -3.768 2.443 -6.381 264 H ARG 35 H ARG 35 -8.989 3.806 -8.057 265 HA ARG 35 HA ARG 35 -9.886 6.300 -7.105 266 1HB ARG 35 2HB ARG 35 -10.745 4.405 -8.993 267 2HB ARG 35 1HB ARG 35 -12.076 4.560 -7.856 268 1HG ARG 35 2HG ARG 35 -11.379 7.170 -8.300 269 2HG ARG 35 1HG ARG 35 -11.105 6.424 -9.875 270 1HD ARG 35 2HD ARG 35 -13.298 6.114 -10.241 271 2HD ARG 35 1HD ARG 35 -13.599 5.603 -8.581 272 HE ARG 35 HE ARG 35 -13.114 8.419 -8.829 273 1HH1 ARG 35 1HH1 ARG 35 -15.542 5.921 -9.051 274 2HH1 ARG 35 2HH1 ARG 35 -16.859 6.999 -8.730 275 1HH2 ARG 35 1HH2 ARG 35 -14.844 9.837 -8.405 276 2HH2 ARG 35 2HH2 ARG 35 -16.462 9.223 -8.364 277 H GLU 36 H GLU 36 -10.917 2.997 -6.275 278 HA GLU 36 HA GLU 36 -12.631 3.750 -4.165 279 1HB GLU 36 2HB GLU 36 -12.211 1.435 -5.461 280 2HB GLU 36 1HB GLU 36 -11.247 1.122 -4.024 281 1HG GLU 36 2HG GLU 36 -13.215 0.311 -3.283 282 2HG GLU 36 1HG GLU 36 -13.455 1.998 -2.834 283 H ALA 37 H ALA 37 -9.191 3.226 -4.382 284 HA ALA 37 HA ALA 37 -8.747 3.064 -1.556 285 1HB ALA 37 1HB ALA 37 -6.321 3.609 -2.374 286 2HB ALA 37 2HB ALA 37 -7.003 3.288 -3.969 287 3HB ALA 37 3HB ALA 37 -7.046 2.039 -2.724 288 H GLU 38 H GLU 38 -9.194 5.622 -3.824 289 HA GLU 38 HA GLU 38 -7.858 7.641 -2.285 290 1HB GLU 38 2HB GLU 38 -9.770 7.734 -4.607 291 2HB GLU 38 1HB GLU 38 -9.199 9.193 -3.809 292 1HG GLU 38 2HG GLU 38 -7.076 8.975 -4.614 293 2HG GLU 38 1HG GLU 38 -7.188 7.220 -4.749 294 H LYS 39 H LYS 39 -11.168 6.510 -2.710 295 HA LYS 39 HA LYS 39 -12.385 8.460 -1.052 296 1HB LYS 39 2HB LYS 39 -13.714 7.181 -2.626 297 2HB LYS 39 1HB LYS 39 -13.277 5.677 -1.827 298 1HG LYS 39 2HG LYS 39 -14.676 7.808 -0.280 299 2HG LYS 39 1HG LYS 39 -15.592 6.779 -1.383 300 1HD LYS 39 2HD LYS 39 -14.287 4.859 -0.138 301 2HD LYS 39 1HD LYS 39 -14.163 6.075 1.134 302 1HE LYS 39 2HE LYS 39 -16.367 5.982 1.617 303 2HE LYS 39 1HE LYS 39 -16.832 5.750 -0.067 304 1HZ LYS 39 1HZ LYS 39 -15.518 3.593 1.464 305 2HZ LYS 39 2HZ LYS 39 -16.464 3.474 0.067 306 3HZ LYS 39 3HZ LYS 39 -17.190 3.830 1.552 307 H LYS 40 H LYS 40 -10.967 5.294 -0.463 308 HA LYS 40 HA LYS 40 -11.792 5.120 2.263 309 1HB LYS 40 2HB LYS 40 -9.612 3.672 0.755 310 2HB LYS 40 1HB LYS 40 -10.128 3.274 2.388 311 1HG LYS 40 2HG LYS 40 -12.000 3.262 0.039 312 2HG LYS 40 1HG LYS 40 -11.077 1.846 0.546 313 1HD LYS 40 2HD LYS 40 -12.600 3.240 2.658 314 2HD LYS 40 1HD LYS 40 -13.553 2.398 1.435 315 1HE LYS 40 2HE LYS 40 -11.269 1.098 2.896 316 2HE LYS 40 1HE LYS 40 -12.924 1.068 3.503 317 1HZ LYS 40 1HZ LYS 40 -13.591 -0.347 1.880 318 2HZ LYS 40 2HZ LYS 40 -11.970 -0.822 1.956 319 3HZ LYS 40 3HZ LYS 40 -12.485 0.231 0.738 320 H ILE 41 H ILE 41 -9.057 6.505 0.595 321 HA ILE 41 HA ILE 41 -7.591 6.935 3.073 322 HB ILE 41 HB ILE 41 -6.927 7.756 0.243 323 1HG1 ILE 41 2HG1 ILE 41 -5.467 5.683 1.846 324 2HG1 ILE 41 1HG1 ILE 41 -6.949 5.249 1.000 325 1HG2 ILE 41 1HG2 ILE 41 -5.305 7.946 2.775 326 2HG2 ILE 41 2HG2 ILE 41 -5.880 9.281 1.776 327 3HG2 ILE 41 3HG2 ILE 41 -4.655 8.175 1.152 328 1HD1 ILE 41 1HD1 ILE 41 -5.741 4.916 -0.819 329 2HD1 ILE 41 2HD1 ILE 41 -4.293 5.522 -0.015 330 3HD1 ILE 41 3HD1 ILE 41 -5.370 6.640 -0.852 331 H LYS 42 H LYS 42 -9.776 8.613 0.988 332 HA LYS 42 HA LYS 42 -9.048 11.249 1.894 333 1HB LYS 42 2HB LYS 42 -11.086 10.115 0.057 334 2HB LYS 42 1HB LYS 42 -11.382 11.710 0.738 335 1HG LYS 42 2HG LYS 42 -8.704 11.271 -0.410 336 2HG LYS 42 1HG LYS 42 -10.050 11.289 -1.551 337 1HD LYS 42 2HD LYS 42 -10.166 13.432 0.433 338 2HD LYS 42 1HD LYS 42 -8.735 13.499 -0.598 339 1HE LYS 42 2HE LYS 42 -10.536 14.792 -1.579 340 2HE LYS 42 1HE LYS 42 -10.176 13.388 -2.582 341 1HZ LYS 42 1HZ LYS 42 -12.361 13.417 -0.580 342 2HZ LYS 42 2HZ LYS 42 -12.098 12.286 -1.811 343 3HZ LYS 42 3HZ LYS 42 -12.591 13.856 -2.197 344 H GLU 43 H GLU 43 -10.562 8.781 3.429 345 HA GLU 43 HA GLU 43 -12.292 10.602 4.954 346 1HB GLU 43 2HB GLU 43 -12.596 7.635 4.490 347 2HB GLU 43 1HB GLU 43 -13.593 8.576 5.590 348 1HG GLU 43 2HG GLU 43 -14.365 9.940 3.702 349 2HG GLU 43 1HG GLU 43 -13.396 8.952 2.610 350 H LEU 44 H LEU 44 -10.069 7.869 5.127 351 HA LEU 44 HA LEU 44 -9.642 8.477 7.976 352 1HB LEU 44 2HB LEU 44 -10.437 6.315 8.033 353 2HB LEU 44 1HB LEU 44 -9.772 5.913 6.464 354 HG LEU 44 HG LEU 44 -7.895 6.374 8.738 355 1HD1 LEU 44 1HD1 LEU 44 -8.178 3.725 8.887 356 2HD1 LEU 44 2HD1 LEU 44 -9.841 4.166 8.495 357 3HD1 LEU 44 3HD1 LEU 44 -9.061 4.845 9.925 358 1HD2 LEU 44 1HD2 LEU 44 -6.902 4.336 7.387 359 2HD2 LEU 44 2HD2 LEU 44 -6.689 5.999 6.840 360 3HD2 LEU 44 3HD2 LEU 44 -7.936 4.986 6.117 361 H PHE 45 H PHE 45 -7.445 8.255 8.759 362 HA PHE 45 HA PHE 45 -5.511 9.054 6.714 363 1HB PHE 45 2HB PHE 45 -5.933 10.372 8.880 364 2HB PHE 45 1HB PHE 45 -5.037 9.090 9.687 365 HD1 PHE 45 1HD PHE 45 -4.807 12.170 7.961 366 HD2 PHE 45 2HD PHE 45 -2.684 8.570 8.761 367 HE1 PHE 45 1HE PHE 45 -2.695 13.292 7.382 368 HE2 PHE 45 2HE PHE 45 -0.568 9.684 8.185 369 HZ PHE 45 HZ PHE 45 -0.571 12.049 7.494 370 H PHE 46 H PHE 46 -4.837 7.158 5.782 371 HA PHE 46 HA PHE 46 -4.064 4.885 7.354 372 1HB PHE 46 2HB PHE 46 -4.004 5.572 4.438 373 2HB PHE 46 1HB PHE 46 -3.115 4.171 5.026 374 HD1 PHE 46 1HD PHE 46 -6.078 5.145 3.586 375 HD2 PHE 46 2HD PHE 46 -4.611 2.704 6.744 376 HE1 PHE 46 1HE PHE 46 -8.140 3.803 3.498 377 HE2 PHE 46 2HE PHE 46 -6.670 1.358 6.667 378 HZ PHE 46 HZ PHE 46 -8.441 1.915 5.046 379 HA PRO 47 HA PRO 47 0.086 6.436 8.048 380 1HB PRO 47 2HB PRO 47 1.031 4.320 9.424 381 2HB PRO 47 1HB PRO 47 -0.109 5.467 10.139 382 1HG PRO 47 2HG PRO 47 -0.631 2.766 8.958 383 2HG PRO 47 1HG PRO 47 -1.278 3.480 10.447 384 1HD PRO 47 2HD PRO 47 -2.668 3.399 8.105 385 2HD PRO 47 1HD PRO 47 -2.889 4.671 9.322 386 H VAL 48 H VAL 48 -0.684 3.314 6.664 387 HA VAL 48 HA VAL 48 1.652 3.515 4.923 388 HB VAL 48 HB VAL 48 0.943 0.895 6.212 389 1HG1 VAL 48 1HG1 VAL 48 3.092 1.923 4.446 390 2HG1 VAL 48 2HG1 VAL 48 2.283 0.357 4.455 391 3HG1 VAL 48 3HG1 VAL 48 3.531 0.710 5.648 392 1HG2 VAL 48 1HG2 VAL 48 1.517 2.053 8.106 393 2HG2 VAL 48 2HG2 VAL 48 2.627 3.120 7.248 394 3HG2 VAL 48 3HG2 VAL 48 3.089 1.451 7.579 395 H ILE 49 H ILE 49 1.143 3.088 2.880 396 HA ILE 49 HA ILE 49 -1.378 1.690 2.304 397 HB ILE 49 HB ILE 49 0.086 3.606 0.485 398 1HG1 ILE 49 2HG1 ILE 49 -0.750 4.732 2.534 399 2HG1 ILE 49 1HG1 ILE 49 -1.573 5.277 1.076 400 1HG2 ILE 49 1HG2 ILE 49 -2.700 2.462 0.346 401 2HG2 ILE 49 2HG2 ILE 49 -1.330 1.972 -0.651 402 3HG2 ILE 49 3HG2 ILE 49 -1.988 3.602 -0.796 403 1HD1 ILE 49 1HD1 ILE 49 -2.609 3.480 3.238 404 2HD1 ILE 49 2HD1 ILE 49 -3.389 3.607 1.661 405 3HD1 ILE 49 3HD1 ILE 49 -3.246 5.031 2.693 406 H VAL 50 H VAL 50 -1.390 0.184 0.547 407 HA VAL 50 HA VAL 50 1.214 -0.568 -0.534 408 HB VAL 50 HB VAL 50 -0.560 -2.568 0.865 409 1HG1 VAL 50 1HG1 VAL 50 2.181 -3.325 0.197 410 2HG1 VAL 50 2HG1 VAL 50 1.173 -3.014 -1.216 411 3HG1 VAL 50 3HG1 VAL 50 0.674 -4.214 -0.024 412 1HG2 VAL 50 1HG2 VAL 50 1.220 -2.719 2.511 413 2HG2 VAL 50 2HG2 VAL 50 0.600 -1.071 2.419 414 3HG2 VAL 50 3HG2 VAL 50 2.136 -1.479 1.654 415 H LEU 51 H LEU 51 0.729 -0.193 -2.592 416 HA LEU 51 HA LEU 51 -1.774 -0.934 -3.775 417 1HB LEU 51 2HB LEU 51 -0.151 0.968 -4.455 418 2HB LEU 51 1HB LEU 51 0.723 -0.286 -5.313 419 HG LEU 51 HG LEU 51 -1.048 -0.643 -6.831 420 1HD1 LEU 51 1HD1 LEU 51 -2.933 -0.739 -5.380 421 2HD1 LEU 51 2HD1 LEU 51 -3.248 0.522 -6.572 422 3HD1 LEU 51 3HD1 LEU 51 -2.754 0.958 -4.937 423 1HD2 LEU 51 1HD2 LEU 51 0.170 1.798 -6.617 424 2HD2 LEU 51 2HD2 LEU 51 -1.536 2.231 -6.713 425 3HD2 LEU 51 3HD2 LEU 51 -0.802 1.255 -7.984 426 H ASP 52 H ASP 52 -1.586 -2.241 -5.959 427 HA ASP 52 HA ASP 52 0.239 -4.497 -5.701 428 1HB ASP 52 2HB ASP 52 -2.103 -4.816 -4.494 429 2HB ASP 52 1HB ASP 52 -2.627 -5.193 -6.131 430 H VAL 53 H VAL 53 -2.568 -3.291 -7.553 431 HA VAL 53 HA VAL 53 -2.944 -3.141 -9.799 432 HB VAL 53 HB VAL 53 0.069 -3.354 -10.016 433 1HG1 VAL 53 1HG1 VAL 53 -0.519 -3.618 -12.192 434 2HG1 VAL 53 2HG1 VAL 53 -0.620 -1.859 -12.111 435 3HG1 VAL 53 3HG1 VAL 53 -2.084 -2.834 -11.980 436 1HG2 VAL 53 1HG2 VAL 53 0.256 -1.109 -9.656 437 2HG2 VAL 53 2HG2 VAL 53 -1.135 -1.452 -8.626 438 3HG2 VAL 53 3HG2 VAL 53 -1.374 -0.767 -10.234 439 H TRP 54 H TRP 54 -3.441 -5.578 -8.800 440 HA TRP 54 HA TRP 54 -2.019 -7.689 -10.076 441 1HB TRP 54 2HB TRP 54 -3.210 -8.142 -8.029 442 2HB TRP 54 1HB TRP 54 -4.729 -7.602 -8.733 443 HD1 TRP 54 HD TRP 54 -6.239 -9.614 -9.151 444 HE1 TRP 54 1HE TRP 54 -5.924 -12.029 -9.982 445 HE3 TRP 54 3HE TRP 54 -1.162 -9.610 -9.746 446 HZ2 TRP 54 2HZ TRP 54 -3.804 -13.711 -10.784 447 HZ3 TRP 54 3HZ TRP 54 -0.067 -11.663 -10.549 448 HH2 TRP 54 HH TRP 54 -1.362 -13.670 -11.056 449 H MET 55 H MET 55 -5.502 -7.221 -10.477 450 HA MET 55 HA MET 55 -5.385 -8.146 -13.183 451 1HB MET 55 2HB MET 55 -7.319 -8.114 -11.234 452 2HB MET 55 1HB MET 55 -7.879 -6.861 -12.333 453 1HG MET 55 2HG MET 55 -8.855 -9.010 -12.882 454 2HG MET 55 1HG MET 55 -7.816 -8.436 -14.184 455 1HE MET 55 1HE MET 55 -7.766 -12.440 -12.353 456 2HE MET 55 2HE MET 55 -8.798 -11.714 -13.585 457 3HE MET 55 3HE MET 55 -8.833 -11.100 -11.932 458 HA PRO 56 HA PRO 56 -6.554 -3.595 -14.196 459 1HB PRO 56 2HB PRO 56 -6.357 -1.709 -12.300 460 2HB PRO 56 1HB PRO 56 -7.789 -2.739 -12.433 461 1HG PRO 56 2HG PRO 56 -5.448 -2.983 -10.578 462 2HG PRO 56 1HG PRO 56 -7.178 -3.136 -10.217 463 1HD PRO 56 2HD PRO 56 -5.535 -5.273 -10.602 464 2HD PRO 56 1HD PRO 56 -7.269 -5.304 -10.975 465 H ASP 57 H ASP 57 -5.331 -1.306 -14.090 466 HA ASP 57 HA ASP 57 -2.531 -1.492 -13.453 467 1HB ASP 57 2HB ASP 57 -3.434 -1.437 -16.335 468 2HB ASP 57 1HB ASP 57 -1.796 -1.065 -15.810 469 H GLY 58 H GLY 58 -4.363 0.243 -12.457 470 1HA GLY 58 2HA GLY 58 -4.814 2.627 -13.817 471 2HA GLY 58 1HA GLY 58 -4.687 2.481 -12.071 472 H ASP 59 H ASP 59 -3.854 4.771 -13.287 473 HA ASP 59 HA ASP 59 -1.005 4.656 -13.758 474 1HB ASP 59 2HB ASP 59 -2.718 7.124 -13.431 475 2HB ASP 59 1HB ASP 59 -1.150 7.005 -14.222 476 H GLY 60 H GLY 60 -0.586 3.692 -11.605 477 1HA GLY 60 2HA GLY 60 -1.037 4.977 -9.177 478 2HA GLY 60 1HA GLY 60 0.299 3.882 -9.496 479 H VAL 61 H VAL 61 1.188 5.793 -11.694 480 HA VAL 61 HA VAL 61 3.200 7.107 -10.336 481 HB VAL 61 HB VAL 61 1.970 8.002 -12.943 482 1HG1 VAL 61 1HG1 VAL 61 4.583 8.492 -11.581 483 2HG1 VAL 61 2HG1 VAL 61 3.472 9.647 -12.319 484 3HG1 VAL 61 3HG1 VAL 61 4.445 8.586 -13.337 485 1HG2 VAL 61 1HG2 VAL 61 3.896 5.783 -12.319 486 2HG2 VAL 61 2HG2 VAL 61 3.831 6.543 -13.910 487 3HG2 VAL 61 3HG2 VAL 61 2.410 5.722 -13.268 488 H ASN 62 H ASN 62 0.019 8.308 -11.307 489 HA ASN 62 HA ASN 62 0.549 10.913 -10.143 490 1HB ASN 62 2HB ASN 62 -1.244 9.875 -12.115 491 2HB ASN 62 1HB ASN 62 -2.190 10.660 -10.854 492 1HD2 ASN 62 1HD2 ASN 62 0.126 11.083 -13.385 493 2HD2 ASN 62 2HD2 ASN 62 0.091 12.810 -13.415 494 H PHE 63 H PHE 63 -0.124 8.066 -8.771 495 HA PHE 63 HA PHE 63 -2.232 8.969 -6.983 496 1HB PHE 63 2HB PHE 63 -2.113 6.607 -7.882 497 2HB PHE 63 1HB PHE 63 -0.706 6.366 -6.852 498 HD1 PHE 63 1HD PHE 63 -3.837 8.220 -6.107 499 HD2 PHE 63 2HD PHE 63 -1.427 4.812 -5.276 500 HE1 PHE 63 1HE PHE 63 -5.317 7.635 -4.235 501 HE2 PHE 63 2HE PHE 63 -2.906 4.221 -3.402 502 HZ PHE 63 HZ PHE 63 -4.853 5.636 -2.878 503 H ILE 64 H ILE 64 1.218 8.280 -6.924 504 HA ILE 64 HA ILE 64 1.826 8.234 -4.270 505 HB ILE 64 HB ILE 64 3.384 9.792 -6.337 506 1HG1 ILE 64 2HG1 ILE 64 4.604 7.325 -5.969 507 2HG1 ILE 64 1HG1 ILE 64 2.887 6.936 -6.001 508 1HG2 ILE 64 1HG2 ILE 64 5.229 8.729 -4.689 509 2HG2 ILE 64 2HG2 ILE 64 3.907 8.988 -3.551 510 3HG2 ILE 64 3HG2 ILE 64 4.545 10.341 -4.483 511 1HD1 ILE 64 1HD1 ILE 64 4.239 8.591 -8.110 512 2HD1 ILE 64 2HD1 ILE 64 2.633 7.871 -8.159 513 3HD1 ILE 64 3HD1 ILE 64 4.059 6.841 -8.206 514 H ASP 65 H ASP 65 1.226 11.123 -6.232 515 HA ASP 65 HA ASP 65 1.773 13.005 -4.208 516 1HB ASP 65 2HB ASP 65 1.178 13.176 -6.864 517 2HB ASP 65 1HB ASP 65 -0.330 13.737 -6.147 518 H PHE 66 H PHE 66 -1.270 11.509 -5.264 519 HA PHE 66 HA PHE 66 -3.003 12.821 -3.532 520 1HB PHE 66 2HB PHE 66 -3.861 11.426 -5.309 521 2HB PHE 66 1HB PHE 66 -3.094 9.999 -4.623 522 HD1 PHE 66 1HD PHE 66 -3.997 8.954 -2.604 523 HD2 PHE 66 2HD PHE 66 -5.936 12.254 -4.463 524 HE1 PHE 66 1HE PHE 66 -6.046 8.457 -1.341 525 HE2 PHE 66 2HE PHE 66 -7.990 11.763 -3.202 526 HZ PHE 66 HZ PHE 66 -8.048 9.861 -1.639 527 H ILE 67 H ILE 67 -0.766 10.199 -2.976 528 HA ILE 67 HA ILE 67 -1.768 9.354 -0.465 529 HB ILE 67 HB ILE 67 1.146 9.218 -1.184 530 1HG1 ILE 67 2HG1 ILE 67 0.203 8.467 -3.210 531 2HG1 ILE 67 1HG1 ILE 67 0.543 7.000 -2.305 532 1HG2 ILE 67 1HG2 ILE 67 1.001 8.208 0.824 533 2HG2 ILE 67 2HG2 ILE 67 0.506 6.826 -0.155 534 3HG2 ILE 67 3HG2 ILE 67 -0.711 7.830 0.634 535 1HD1 ILE 67 1HD1 ILE 67 -1.557 6.374 -2.556 536 2HD1 ILE 67 2HD1 ILE 67 -1.906 7.863 -3.433 537 3HD1 ILE 67 3HD1 ILE 67 -2.099 7.806 -1.681 538 H LYS 68 H LYS 68 0.946 11.500 -1.335 539 HA LYS 68 HA LYS 68 1.397 12.322 1.366 540 1HB LYS 68 2HB LYS 68 2.290 13.595 -1.230 541 2HB LYS 68 1HB LYS 68 2.898 14.008 0.367 542 1HG LYS 68 2HG LYS 68 3.209 11.235 0.129 543 2HG LYS 68 1HG LYS 68 3.724 11.918 -1.414 544 1HD LYS 68 2HD LYS 68 4.667 13.093 1.177 545 2HD LYS 68 1HD LYS 68 5.460 11.674 0.488 546 1HE LYS 68 2HE LYS 68 4.985 14.036 -1.262 547 2HE LYS 68 1HE LYS 68 6.283 14.118 -0.070 548 1HZ LYS 68 1HZ LYS 68 7.515 12.606 -1.174 549 2HZ LYS 68 2HZ LYS 68 6.611 13.132 -2.505 550 3HZ LYS 68 3HZ LYS 68 6.178 11.709 -1.699 551 H GLU 69 H GLU 69 -0.796 13.237 -1.096 552 HA GLU 69 HA GLU 69 -1.274 15.923 -0.352 553 1HB GLU 69 2HB GLU 69 -1.948 14.874 -2.521 554 2HB GLU 69 1HB GLU 69 -3.198 14.000 -1.653 555 1HG GLU 69 2HG GLU 69 -4.447 15.903 -1.259 556 2HG GLU 69 1HG GLU 69 -3.066 16.976 -1.485 557 H ASN 70 H ASN 70 -2.958 12.900 0.419 558 HA ASN 70 HA ASN 70 -4.256 14.278 2.674 559 1HB ASN 70 2HB ASN 70 -5.692 11.956 2.339 560 2HB ASN 70 1HB ASN 70 -6.147 13.531 1.700 561 1HD2 ASN 70 1HD2 ASN 70 -4.939 14.023 -0.448 562 2HD2 ASN 70 2HD2 ASN 70 -4.984 12.754 -1.618 563 H SER 71 H SER 71 -1.587 12.811 2.429 564 HA SER 71 HA SER 71 -1.689 11.570 4.989 565 1HB SER 71 2HB SER 71 -2.065 9.889 2.648 566 2HB SER 71 1HB SER 71 -0.636 9.411 3.563 567 HG SER 71 HG SER 71 -1.880 9.043 5.329 568 HA PRO 72 HA PRO 72 2.423 13.167 3.489 569 1HB PRO 72 2HB PRO 72 2.349 14.998 5.738 570 2HB PRO 72 1HB PRO 72 2.444 15.368 4.016 571 1HG PRO 72 2HG PRO 72 0.252 15.899 5.547 572 2HG PRO 72 1HG PRO 72 0.177 15.584 3.806 573 1HD PRO 72 2HD PRO 72 -0.423 13.751 6.094 574 2HD PRO 72 1HD PRO 72 -1.267 13.932 4.541 575 H ASP 73 H ASP 73 1.110 11.995 6.401 576 HA ASP 73 HA ASP 73 3.794 11.378 7.440 577 1HB ASP 73 2HB ASP 73 2.239 12.785 8.870 578 2HB ASP 73 1HB ASP 73 1.243 11.342 9.040 579 H SER 74 H SER 74 2.378 9.888 5.383 580 HA SER 74 HA SER 74 1.902 7.351 6.801 581 1HB SER 74 2HB SER 74 -0.050 8.172 5.542 582 2HB SER 74 1HB SER 74 0.916 8.210 4.069 583 HG SER 74 HG SER 74 0.235 6.233 3.855 584 H VAL 75 H VAL 75 2.080 5.736 4.438 585 HA VAL 75 HA VAL 75 4.768 6.172 3.416 586 HB VAL 75 HB VAL 75 4.095 3.604 4.853 587 1HG1 VAL 75 1HG1 VAL 75 6.110 4.371 2.888 588 2HG1 VAL 75 2HG1 VAL 75 5.632 2.770 3.450 589 3HG1 VAL 75 3HG1 VAL 75 6.815 3.707 4.362 590 1HG2 VAL 75 1HG2 VAL 75 4.524 5.109 6.571 591 2HG2 VAL 75 2HG2 VAL 75 5.710 6.008 5.626 592 3HG2 VAL 75 3HG2 VAL 75 6.114 4.412 6.259 593 H VAL 76 H VAL 76 5.069 5.449 1.444 594 HA VAL 76 HA VAL 76 2.872 3.946 0.192 595 HB VAL 76 HB VAL 76 5.015 5.551 -1.201 596 1HG1 VAL 76 1HG1 VAL 76 3.835 3.719 -2.468 597 2HG1 VAL 76 2HG1 VAL 76 3.701 5.337 -3.160 598 3HG1 VAL 76 3HG1 VAL 76 2.350 4.646 -2.261 599 1HG2 VAL 76 1HG2 VAL 76 3.088 6.622 0.394 600 2HG2 VAL 76 2HG2 VAL 76 2.274 6.593 -1.168 601 3HG2 VAL 76 3HG2 VAL 76 3.811 7.437 -0.992 602 H ILE 77 H ILE 77 3.214 1.853 -0.065 603 HA ILE 77 HA ILE 77 5.928 0.937 -0.764 604 HB ILE 77 HB ILE 77 3.882 -0.743 0.675 605 1HG1 ILE 77 2HG1 ILE 77 4.508 1.232 2.048 606 2HG1 ILE 77 1HG1 ILE 77 5.057 -0.286 2.749 607 1HG2 ILE 77 1HG2 ILE 77 5.415 -2.184 -0.282 608 2HG2 ILE 77 2HG2 ILE 77 6.105 -1.920 1.319 609 3HG2 ILE 77 3HG2 ILE 77 6.757 -1.060 -0.076 610 1HD1 ILE 77 1HD1 ILE 77 7.192 0.514 1.205 611 2HD1 ILE 77 2HD1 ILE 77 7.035 0.695 2.952 612 3HD1 ILE 77 3HD1 ILE 77 6.576 2.020 1.884 613 H VAL 78 H VAL 78 4.210 1.752 -2.752 614 HA VAL 78 HA VAL 78 2.447 0.005 -3.914 615 HB VAL 78 HB VAL 78 4.566 1.606 -5.370 616 1HG1 VAL 78 1HG1 VAL 78 1.866 0.819 -6.431 617 2HG1 VAL 78 2HG1 VAL 78 3.292 -0.191 -6.665 618 3HG1 VAL 78 3HG1 VAL 78 3.256 1.448 -7.313 619 1HG2 VAL 78 1HG2 VAL 78 2.119 2.358 -3.944 620 2HG2 VAL 78 2HG2 VAL 78 2.245 3.014 -5.577 621 3HG2 VAL 78 3HG2 VAL 78 3.517 3.332 -4.398 622 H ILE 79 H ILE 79 2.889 -2.160 -3.696 623 HA ILE 79 HA ILE 79 5.412 -3.293 -4.399 624 HB ILE 79 HB ILE 79 2.803 -4.743 -3.989 625 1HG1 ILE 79 2HG1 ILE 79 4.929 -3.918 -2.001 626 2HG1 ILE 79 1HG1 ILE 79 3.256 -3.377 -2.041 627 1HG2 ILE 79 1HG2 ILE 79 5.112 -6.173 -3.120 628 2HG2 ILE 79 2HG2 ILE 79 5.377 -5.620 -4.773 629 3HG2 ILE 79 3HG2 ILE 79 3.961 -6.596 -4.387 630 1HD1 ILE 79 1HD1 ILE 79 3.142 -4.943 -0.395 631 2HD1 ILE 79 2HD1 ILE 79 4.396 -5.952 -1.113 632 3HD1 ILE 79 3HD1 ILE 79 2.770 -5.949 -1.795 633 H THR 80 H THR 80 2.877 -5.156 -5.689 634 HA THR 80 HA THR 80 2.246 -5.735 -7.794 635 HB THR 80 HB THR 80 2.044 -4.125 -9.431 636 HG1 THR 80 1HG THR 80 3.614 -2.791 -10.031 637 1HG2 THR 80 1HG2 THR 80 1.634 -3.142 -6.912 638 2HG2 THR 80 2HG2 THR 80 1.158 -2.360 -8.418 639 3HG2 THR 80 3HG2 THR 80 2.679 -1.924 -7.641 640 H GLY 81 H GLY 81 3.307 -7.485 -8.443 641 1HA GLY 81 2HA GLY 81 6.178 -7.475 -8.767 642 2HA GLY 81 1HA GLY 81 5.107 -8.850 -8.981 643 H HIS 82 H HIS 82 4.613 -9.487 -10.994 644 HA HIS 82 HA HIS 82 6.028 -8.535 -13.201 645 1HB HIS 82 2HB HIS 82 3.977 -10.533 -12.690 646 2HB HIS 82 1HB HIS 82 3.768 -9.774 -14.265 647 HD1 HIS 82 1HD HIS 82 4.704 -11.387 -15.895 648 HD2 HIS 82 2HD HIS 82 7.155 -10.942 -12.570 649 HE1 HIS 82 1HE HIS 82 6.756 -12.754 -16.386 650 HE2 HIS 82 2HE HIS 82 8.186 -12.541 -14.323 651 H GLY 83 H GLY 83 4.996 -7.740 -15.268 652 1HA GLY 83 2HA GLY 83 2.938 -6.528 -16.078 653 2HA GLY 83 1HA GLY 83 3.091 -5.580 -14.606 654 H SER 84 H SER 84 5.383 -4.587 -14.354 655 HA SER 84 HA SER 84 6.956 -4.015 -16.600 656 1HB SER 84 2HB SER 84 4.945 -2.833 -17.402 657 2HB SER 84 1HB SER 84 4.949 -1.845 -15.942 658 HG SER 84 HG SER 84 7.154 -1.968 -17.712 659 H VAL 85 H VAL 85 8.800 -3.862 -15.504 660 HA VAL 85 HA VAL 85 9.058 -2.955 -12.859 661 HB VAL 85 HB VAL 85 11.509 -2.858 -13.342 662 1HG1 VAL 85 1HG1 VAL 85 10.697 -5.434 -14.511 663 2HG1 VAL 85 2HG1 VAL 85 9.915 -5.009 -12.988 664 3HG1 VAL 85 3HG1 VAL 85 11.674 -5.090 -13.083 665 1HG2 VAL 85 1HG2 VAL 85 12.393 -3.042 -15.421 666 2HG2 VAL 85 2HG2 VAL 85 10.843 -2.337 -15.884 667 3HG2 VAL 85 3HG2 VAL 85 11.090 -4.079 -16.002 668 H ASP 86 H ASP 86 8.907 -1.243 -15.847 669 HA ASP 86 HA ASP 86 10.287 1.108 -15.014 670 1HB ASP 86 2HB ASP 86 8.263 0.705 -17.225 671 2HB ASP 86 1HB ASP 86 9.252 2.145 -17.009 672 H THR 87 H THR 87 7.328 -0.166 -14.060 673 HA THR 87 HA THR 87 5.968 2.364 -13.730 674 HB THR 87 HB THR 87 4.942 -0.051 -14.061 675 HG1 THR 87 1HG THR 87 3.051 0.731 -13.032 676 1HG2 THR 87 1HG2 THR 87 6.015 -0.742 -11.779 677 2HG2 THR 87 2HG2 THR 87 4.396 -1.287 -12.215 678 3HG2 THR 87 3HG2 THR 87 4.602 0.071 -11.107 679 H ALA 88 H ALA 88 7.900 0.149 -11.863 680 HA ALA 88 HA ALA 88 7.436 1.150 -9.286 681 1HB ALA 88 1HB ALA 88 10.018 0.008 -10.341 682 2HB ALA 88 2HB ALA 88 8.637 -0.966 -9.841 683 3HB ALA 88 3HB ALA 88 9.475 0.046 -8.665 684 H VAL 89 H VAL 89 10.113 1.805 -11.511 685 HA VAL 89 HA VAL 89 11.242 3.901 -10.026 686 HB VAL 89 HB VAL 89 12.548 4.414 -11.993 687 1HG1 VAL 89 1HG1 VAL 89 12.765 2.169 -10.680 688 2HG1 VAL 89 2HG1 VAL 89 13.692 2.421 -12.159 689 3HG1 VAL 89 3HG1 VAL 89 12.216 1.455 -12.198 690 1HG2 VAL 89 1HG2 VAL 89 12.090 3.338 -14.163 691 2HG2 VAL 89 2HG2 VAL 89 10.792 4.425 -13.669 692 3HG2 VAL 89 3HG2 VAL 89 10.593 2.681 -13.504 693 H LYS 90 H LYS 90 8.504 3.802 -12.132 694 HA LYS 90 HA LYS 90 8.468 6.692 -12.499 695 1HB LYS 90 2HB LYS 90 7.820 5.035 -14.309 696 2HB LYS 90 1HB LYS 90 6.366 4.722 -13.373 697 1HG LYS 90 2HG LYS 90 5.708 7.055 -13.582 698 2HG LYS 90 1HG LYS 90 7.183 7.397 -14.487 699 1HD LYS 90 2HD LYS 90 5.491 5.197 -15.504 700 2HD LYS 90 1HD LYS 90 4.834 6.827 -15.653 701 1HE LYS 90 2HE LYS 90 6.363 7.446 -17.196 702 2HE LYS 90 1HE LYS 90 7.654 6.510 -16.444 703 1HZ LYS 90 1HZ LYS 90 7.346 5.293 -18.315 704 2HZ LYS 90 2HZ LYS 90 5.714 5.706 -18.473 705 3HZ LYS 90 3HZ LYS 90 6.183 4.534 -17.349 706 H ALA 91 H ALA 91 8.152 5.396 -9.840 707 HA ALA 91 HA ALA 91 5.862 6.930 -8.979 708 1HB ALA 91 1HB ALA 91 5.004 4.887 -7.671 709 2HB ALA 91 2HB ALA 91 5.922 3.936 -8.838 710 3HB ALA 91 3HB ALA 91 4.626 4.996 -9.390 711 H ILE 92 H ILE 92 8.463 4.688 -8.133 712 HA ILE 92 HA ILE 92 8.518 5.398 -5.379 713 HB ILE 92 HB ILE 92 10.398 4.025 -5.149 714 1HG1 ILE 92 2HG1 ILE 92 10.871 4.363 -8.123 715 2HG1 ILE 92 1HG1 ILE 92 11.863 5.011 -6.821 716 1HG2 ILE 92 1HG2 ILE 92 9.726 2.244 -7.187 717 2HG2 ILE 92 2HG2 ILE 92 8.247 3.149 -6.868 718 3HG2 ILE 92 3HG2 ILE 92 9.057 2.297 -5.556 719 1HD1 ILE 92 1HD1 ILE 92 12.775 2.979 -7.963 720 2HD1 ILE 92 2HD1 ILE 92 11.436 2.069 -7.264 721 3HD1 ILE 92 3HD1 ILE 92 12.618 2.845 -6.211 722 H LYS 93 H LYS 93 10.424 6.379 -8.198 723 HA LYS 93 HA LYS 93 12.238 8.027 -6.814 724 1HB LYS 93 2HB LYS 93 12.055 7.180 -9.366 725 2HB LYS 93 1HB LYS 93 11.453 8.819 -9.560 726 1HG LYS 93 2HG LYS 93 13.586 9.464 -8.211 727 2HG LYS 93 1HG LYS 93 14.159 7.880 -8.735 728 1HD LYS 93 2HD LYS 93 13.159 10.071 -10.553 729 2HD LYS 93 1HD LYS 93 14.854 9.668 -10.271 730 1HE LYS 93 2HE LYS 93 14.765 7.808 -11.558 731 2HE LYS 93 1HE LYS 93 13.104 7.439 -11.096 732 1HZ LYS 93 1HZ LYS 93 13.754 8.308 -13.498 733 2HZ LYS 93 2HZ LYS 93 13.516 9.806 -12.747 734 3HZ LYS 93 3HZ LYS 93 12.266 8.667 -12.781 735 H LYS 94 H LYS 94 8.938 8.460 -7.703 736 HA LYS 94 HA LYS 94 8.897 11.306 -7.688 737 1HB LYS 94 2HB LYS 94 7.180 9.838 -8.774 738 2HB LYS 94 1HB LYS 94 6.594 9.427 -7.168 739 1HG LYS 94 2HG LYS 94 5.155 11.107 -7.629 740 2HG LYS 94 1HG LYS 94 6.473 12.076 -6.966 741 1HD LYS 94 2HD LYS 94 7.328 12.331 -9.317 742 2HD LYS 94 1HD LYS 94 5.828 11.581 -9.868 743 1HE LYS 94 2HE LYS 94 5.255 13.793 -10.008 744 2HE LYS 94 1HE LYS 94 4.730 13.434 -8.363 745 1HZ LYS 94 1HZ LYS 94 7.479 14.325 -8.657 746 2HZ LYS 94 2HZ LYS 94 6.333 14.720 -7.479 747 3HZ LYS 94 3HZ LYS 94 6.293 15.486 -8.987 748 H GLY 95 H GLY 95 8.693 8.845 -5.225 749 1HA GLY 95 2HA GLY 95 9.385 10.316 -3.074 750 2HA GLY 95 1HA GLY 95 7.671 10.670 -3.220 751 H ALA 96 H ALA 96 7.374 7.789 -4.309 752 HA ALA 96 HA ALA 96 6.375 6.603 -2.039 753 1HB ALA 96 1HB ALA 96 5.801 4.936 -3.407 754 2HB ALA 96 2HB ALA 96 7.471 4.638 -3.888 755 3HB ALA 96 3HB ALA 96 6.535 5.901 -4.687 756 H TYR 97 H TYR 97 7.224 4.317 -1.285 757 HA TYR 97 HA TYR 97 9.900 4.809 -0.205 758 1HB TYR 97 2HB TYR 97 7.877 4.334 1.267 759 2HB TYR 97 1HB TYR 97 7.964 2.680 0.676 760 HD1 TYR 97 1HD TYR 97 9.446 1.136 1.643 761 HD2 TYR 97 2HD TYR 97 9.897 5.282 2.483 762 HE1 TYR 97 1HE TYR 97 11.102 0.598 3.380 763 HE2 TYR 97 2HE TYR 97 11.556 4.756 4.221 764 HH TYR 97 HH TYR 97 11.990 1.695 5.481 765 H GLU 98 H GLU 98 9.422 3.802 -2.909 766 HA GLU 98 HA GLU 98 10.582 2.428 -4.316 767 1HB GLU 98 2HB GLU 98 12.449 1.369 -3.613 768 2HB GLU 98 1HB GLU 98 12.158 2.279 -2.142 769 1HG GLU 98 2HG GLU 98 10.726 0.089 -1.579 770 2HG GLU 98 1HG GLU 98 11.914 -0.617 -2.671 771 H PHE 99 H PHE 99 10.159 0.510 -5.384 772 HA PHE 99 HA PHE 99 7.660 -0.701 -4.723 773 1HB PHE 99 2HB PHE 99 9.522 -0.691 -6.974 774 2HB PHE 99 1HB PHE 99 8.761 -2.255 -6.724 775 HD1 PHE 99 1HD PHE 99 7.318 1.117 -6.141 776 HD2 PHE 99 2HD PHE 99 7.284 -2.418 -8.511 777 HE1 PHE 99 1HE PHE 99 5.298 1.916 -7.300 778 HE2 PHE 99 2HE PHE 99 5.268 -1.623 -9.675 779 HZ PHE 99 HZ PHE 99 4.270 0.545 -9.067 780 H LEU 100 H LEU 100 7.223 -2.705 -3.946 781 HA LEU 100 HA LEU 100 9.398 -4.093 -2.612 782 1HB LEU 100 2HB LEU 100 7.025 -3.483 -1.675 783 2HB LEU 100 1HB LEU 100 6.530 -4.940 -2.511 784 HG LEU 100 HG LEU 100 6.916 -5.673 -0.349 785 1HD1 LEU 100 1HD1 LEU 100 8.219 -6.900 -2.165 786 2HD1 LEU 100 2HD1 LEU 100 8.677 -7.197 -0.488 787 3HD1 LEU 100 3HD1 LEU 100 9.649 -6.120 -1.490 788 1HD2 LEU 100 1HD2 LEU 100 9.088 -3.648 -0.349 789 2HD2 LEU 100 2HD2 LEU 100 9.243 -5.040 0.723 790 3HD2 LEU 100 3HD2 LEU 100 7.844 -3.974 0.858 791 H GLU 101 H GLU 101 10.250 -5.974 -3.298 792 HA GLU 101 HA GLU 101 9.916 -6.979 -5.835 793 1HB GLU 101 2HB GLU 101 11.045 -8.059 -3.308 794 2HB GLU 101 1HB GLU 101 10.738 -9.211 -4.601 795 1HG GLU 101 2HG GLU 101 12.233 -8.135 -6.058 796 2HG GLU 101 1HG GLU 101 12.313 -6.697 -5.042 797 H LYS 102 H LYS 102 8.862 -8.849 -2.994 798 HA LYS 102 HA LYS 102 7.147 -10.319 -2.700 799 1HB LYS 102 2HB LYS 102 6.027 -7.959 -3.144 800 2HB LYS 102 1HB LYS 102 5.436 -8.768 -4.588 801 1HG LYS 102 2HG LYS 102 5.084 -10.275 -2.095 802 2HG LYS 102 1HG LYS 102 4.173 -8.768 -2.199 803 1HD LYS 102 2HD LYS 102 4.159 -10.719 -4.472 804 2HD LYS 102 1HD LYS 102 3.100 -10.955 -3.080 805 1HE LYS 102 2HE LYS 102 1.654 -9.608 -4.112 806 2HE LYS 102 1HE LYS 102 2.756 -8.289 -3.718 807 1HZ LYS 102 1HZ LYS 102 2.590 -8.034 -5.961 808 2HZ LYS 102 2HZ LYS 102 2.358 -9.682 -6.263 809 3HZ LYS 102 3HZ LYS 102 3.906 -9.097 -5.914 810 HA PRO 103 HA PRO 103 7.903 -12.315 -6.839 811 1HB PRO 103 2HB PRO 103 9.174 -14.511 -5.916 812 2HB PRO 103 1HB PRO 103 10.021 -12.993 -6.241 813 1HG PRO 103 2HG PRO 103 9.053 -14.101 -3.632 814 2HG PRO 103 1HG PRO 103 10.596 -13.314 -4.009 815 1HD PRO 103 2HD PRO 103 8.529 -12.021 -2.804 816 2HD PRO 103 1HD PRO 103 9.697 -11.201 -3.858 817 H PHE 104 H PHE 104 6.213 -12.988 -4.009 818 HA PHE 104 HA PHE 104 4.178 -14.421 -5.263 819 1HB PHE 104 2HB PHE 104 4.464 -16.667 -4.366 820 2HB PHE 104 1HB PHE 104 5.843 -16.242 -5.371 821 HD1 PHE 104 1HD PHE 104 8.012 -15.688 -4.323 822 HD2 PHE 104 2HD PHE 104 4.709 -17.123 -2.052 823 HE1 PHE 104 1HE PHE 104 9.533 -16.249 -2.472 824 HE2 PHE 104 2HE PHE 104 6.224 -17.685 -0.197 825 HZ PHE 104 HZ PHE 104 8.639 -17.248 -0.406 826 H SER 105 H SER 105 5.925 -13.872 -2.250 827 HA SER 105 HA SER 105 3.331 -13.490 -0.913 828 1HB SER 105 2HB SER 105 4.311 -14.401 1.160 829 2HB SER 105 1HB SER 105 4.313 -15.595 -0.138 830 HG SER 105 HG SER 105 6.548 -14.819 -0.521 831 H VAL 106 H VAL 106 3.344 -11.989 0.866 832 HA VAL 106 HA VAL 106 5.082 -9.732 0.350 833 HB VAL 106 HB VAL 106 3.696 -8.546 2.002 834 1HG1 VAL 106 1HG1 VAL 106 2.192 -10.081 -0.109 835 2HG1 VAL 106 2HG1 VAL 106 2.974 -8.509 -0.285 836 3HG1 VAL 106 3HG1 VAL 106 1.556 -8.677 0.748 837 1HG2 VAL 106 1HG2 VAL 106 1.525 -10.111 2.494 838 2HG2 VAL 106 2HG2 VAL 106 2.846 -9.829 3.628 839 3HG2 VAL 106 3HG2 VAL 106 2.844 -11.275 2.620 840 H GLU 107 H GLU 107 5.654 -12.434 2.028 841 HA GLU 107 HA GLU 107 6.318 -11.965 4.590 842 1HB GLU 107 2HB GLU 107 6.772 -14.032 3.171 843 2HB GLU 107 1HB GLU 107 8.292 -13.265 2.732 844 1HG GLU 107 2HG GLU 107 8.627 -13.054 5.289 845 2HG GLU 107 1HG GLU 107 7.397 -14.314 5.372 846 H ARG 108 H ARG 108 8.315 -11.007 1.805 847 HA ARG 108 HA ARG 108 10.341 -9.765 3.371 848 1HB ARG 108 2HB ARG 108 9.833 -10.262 0.594 849 2HB ARG 108 1HB ARG 108 10.255 -8.567 0.798 850 1HG ARG 108 2HG ARG 108 12.395 -9.029 1.240 851 2HG ARG 108 1HG ARG 108 11.987 -10.397 2.275 852 1HD ARG 108 2HD ARG 108 11.326 -11.454 -0.081 853 2HD ARG 108 1HD ARG 108 12.546 -10.309 -0.634 854 HE ARG 108 HE ARG 108 14.165 -11.603 0.345 855 1HH1 ARG 108 1HH1 ARG 108 11.036 -12.607 1.523 856 2HH1 ARG 108 2HH1 ARG 108 11.651 -14.012 2.328 857 1HH2 ARG 108 1HH2 ARG 108 14.975 -13.452 1.401 858 2HH2 ARG 108 2HH2 ARG 108 13.887 -14.492 2.258 859 H PHE 109 H PHE 109 7.370 -8.690 1.867 860 HA PHE 109 HA PHE 109 7.651 -5.927 2.080 861 1HB PHE 109 2HB PHE 109 5.789 -6.517 0.851 862 2HB PHE 109 1HB PHE 109 5.365 -7.830 1.926 863 HD1 PHE 109 1HD PHE 109 5.143 -4.211 1.387 864 HD2 PHE 109 2HD PHE 109 3.893 -7.501 3.777 865 HE1 PHE 109 1HE PHE 109 3.406 -2.800 2.409 866 HE2 PHE 109 2HE PHE 109 2.152 -6.097 4.804 867 HZ PHE 109 HZ PHE 109 1.906 -3.745 4.120 868 H LEU 110 H LEU 110 7.151 -8.324 4.512 869 HA LEU 110 HA LEU 110 5.966 -6.766 6.528 870 1HB LEU 110 2HB LEU 110 6.697 -9.371 6.251 871 2HB LEU 110 1HB LEU 110 7.860 -8.798 7.430 872 HG LEU 110 HG LEU 110 4.907 -8.358 7.780 873 1HD1 LEU 110 1HD1 LEU 110 4.970 -10.339 9.284 874 2HD1 LEU 110 2HD1 LEU 110 6.563 -10.724 8.631 875 3HD1 LEU 110 3HD1 LEU 110 5.152 -10.727 7.574 876 1HD2 LEU 110 1HD2 LEU 110 6.962 -7.238 9.086 877 2HD2 LEU 110 2HD2 LEU 110 6.780 -8.713 10.035 878 3HD2 LEU 110 3HD2 LEU 110 5.417 -7.608 9.852 879 H LEU 111 H LEU 111 9.350 -7.418 5.748 880 HA LEU 111 HA LEU 111 10.575 -6.196 7.909 881 1HB LEU 111 2HB LEU 111 11.440 -6.441 5.042 882 2HB LEU 111 1HB LEU 111 12.473 -5.759 6.283 883 HG LEU 111 HG LEU 111 12.082 -7.995 7.529 884 1HD1 LEU 111 1HD1 LEU 111 10.974 -8.556 4.826 885 2HD1 LEU 111 2HD1 LEU 111 10.452 -9.139 6.405 886 3HD1 LEU 111 3HD1 LEU 111 11.891 -9.818 5.647 887 1HD2 LEU 111 1HD2 LEU 111 14.169 -7.126 6.321 888 2HD2 LEU 111 2HD2 LEU 111 13.698 -8.212 5.014 889 3HD2 LEU 111 3HD2 LEU 111 14.047 -8.860 6.615 890 H THR 112 H THR 112 9.914 -4.725 4.733 891 HA THR 112 HA THR 112 10.711 -2.135 5.380 892 HB THR 112 HB THR 112 8.606 -3.052 3.411 893 HG1 THR 112 1HG THR 112 10.843 -3.814 3.194 894 1HG2 THR 112 1HG2 THR 112 9.938 -0.745 2.497 895 2HG2 THR 112 2HG2 THR 112 9.348 -0.402 4.124 896 3HG2 THR 112 3HG2 THR 112 8.228 -0.946 2.875 897 H ILE 113 H ILE 113 7.535 -3.672 5.659 898 HA ILE 113 HA ILE 113 5.899 -1.599 6.285 899 HB ILE 113 HB ILE 113 5.985 -4.437 7.145 900 1HG1 ILE 113 2HG1 ILE 113 4.935 -3.734 5.038 901 2HG1 ILE 113 1HG1 ILE 113 3.757 -4.452 6.133 902 1HG2 ILE 113 1HG2 ILE 113 5.403 -3.522 9.254 903 2HG2 ILE 113 2HG2 ILE 113 3.906 -4.095 8.517 904 3HG2 ILE 113 3HG2 ILE 113 4.283 -2.372 8.522 905 1HD1 ILE 113 1HD1 ILE 113 3.805 -1.659 6.605 906 2HD1 ILE 113 2HD1 ILE 113 2.499 -2.649 5.952 907 3HD1 ILE 113 3HD1 ILE 113 3.687 -1.927 4.866 908 H LYS 114 H LYS 114 7.873 -3.353 8.692 909 HA LYS 114 HA LYS 114 7.190 -1.943 10.945 910 1HB LYS 114 2HB LYS 114 8.853 -3.921 10.591 911 2HB LYS 114 1HB LYS 114 10.056 -2.646 10.462 912 1HG LYS 114 2HG LYS 114 8.192 -2.774 12.799 913 2HG LYS 114 1HG LYS 114 9.665 -3.745 12.748 914 1HD LYS 114 2HD LYS 114 9.572 -0.749 12.415 915 2HD LYS 114 1HD LYS 114 9.948 -1.579 13.926 916 1HE LYS 114 2HE LYS 114 11.511 -1.625 11.352 917 2HE LYS 114 1HE LYS 114 12.015 -0.968 12.910 918 1HZ LYS 114 1HZ LYS 114 13.046 -2.961 13.021 919 2HZ LYS 114 2HZ LYS 114 11.947 -3.734 11.995 920 3HZ LYS 114 3HZ LYS 114 11.543 -3.465 13.615 921 H HIS 115 H HIS 115 10.018 -1.275 8.908 922 HA HIS 115 HA HIS 115 10.720 1.165 10.006 923 1HB HIS 115 2HB HIS 115 12.023 -0.190 8.322 924 2HB HIS 115 1HB HIS 115 10.980 0.490 7.078 925 HD1 HIS 115 1HD HIS 115 10.920 3.362 7.479 926 HD2 HIS 115 2HD HIS 115 14.341 1.177 8.367 927 HE1 HIS 115 1HE HIS 115 12.807 5.022 7.438 928 HE2 HIS 115 2HE HIS 115 14.879 3.661 7.890 929 H ALA 116 H ALA 116 8.137 0.396 7.791 930 HA ALA 116 HA ALA 116 7.653 3.000 6.805 931 1HB ALA 116 1HB ALA 116 5.258 1.376 7.069 932 2HB ALA 116 2HB ALA 116 6.603 0.486 6.355 933 3HB ALA 116 3HB ALA 116 6.054 1.992 5.620 934 H PHE 117 H PHE 117 6.435 1.237 9.616 935 HA PHE 117 HA PHE 117 4.702 3.383 10.434 936 1HB PHE 117 2HB PHE 117 5.496 0.735 11.608 937 2HB PHE 117 1HB PHE 117 4.618 1.913 12.579 938 HD1 PHE 117 1HD PHE 117 2.349 2.600 11.933 939 HD2 PHE 117 2HD PHE 117 4.420 -0.499 9.881 940 HE1 PHE 117 1HE PHE 117 0.226 1.836 10.956 941 HE2 PHE 117 2HE PHE 117 2.300 -1.270 8.899 942 HZ PHE 117 HZ PHE 117 0.199 -0.099 9.436 943 H GLU 118 H GLU 118 7.956 2.329 11.114 944 HA GLU 118 HA GLU 118 8.440 3.605 13.533 945 1HB GLU 118 2HB GLU 118 10.302 3.156 11.202 946 2HB GLU 118 1HB GLU 118 10.822 3.674 12.799 947 1HG GLU 118 2HG GLU 118 9.191 1.203 12.588 948 2HG GLU 118 1HG GLU 118 10.876 1.145 12.071 949 H GLU 119 H GLU 119 8.029 4.944 10.366 950 HA GLU 119 HA GLU 119 9.067 7.542 11.221 951 1HB GLU 119 2HB GLU 119 8.090 6.630 8.510 952 2HB GLU 119 1HB GLU 119 8.799 8.199 8.866 953 1HG GLU 119 2HG GLU 119 10.441 5.907 9.660 954 2HG GLU 119 1HG GLU 119 10.164 6.058 7.925 955 H TYR 120 H TYR 120 6.591 6.424 12.313 956 HA TYR 120 HA TYR 120 4.582 8.243 11.188 957 1HB TYR 120 2HB TYR 120 4.177 5.703 11.623 958 2HB TYR 120 1HB TYR 120 3.992 6.196 13.303 959 HD1 TYR 120 1HD TYR 120 1.788 6.346 13.949 960 HD2 TYR 120 2HD TYR 120 2.843 7.537 10.003 961 HE1 TYR 120 1HE TYR 120 -0.554 6.956 13.513 962 HE2 TYR 120 2HE TYR 120 0.504 8.152 9.556 963 HH TYR 120 HH TYR 120 -1.885 7.264 10.710 964 H SER 121 H SER 121 6.824 9.088 12.900 965 HA SER 121 HA SER 121 5.243 10.564 14.845 966 1HB SER 121 2HB SER 121 6.160 8.434 15.939 967 2HB SER 121 1HB SER 121 7.753 9.174 15.775 968 HG SER 121 HG SER 121 5.576 10.467 17.043 Start of MODEL 38 1 1H MET 1 1HT MET 1 -4.180 1.155 14.822 2 2H MET 1 2HT MET 1 -4.328 1.900 16.361 3 3H MET 1 3HT MET 1 -4.235 0.190 16.238 4 HA MET 1 HA MET 1 -2.137 2.170 15.677 5 1HB MET 1 2HB MET 1 -2.932 0.958 18.011 6 2HB MET 1 1HB MET 1 -1.670 -0.129 17.448 7 1HG MET 1 2HG MET 1 -0.224 1.245 18.411 8 2HG MET 1 1HG MET 1 -0.566 2.375 17.103 9 1HE MET 1 1HE MET 1 -2.181 1.064 20.397 10 2HE MET 1 2HE MET 1 -2.227 2.526 21.383 11 3HE MET 1 3HE MET 1 -0.678 1.813 20.934 12 H LYS 2 H LYS 2 -0.538 1.596 14.336 13 HA LYS 2 HA LYS 2 0.674 0.413 12.819 14 1HB LYS 2 2HB LYS 2 -0.050 -1.778 14.744 15 2HB LYS 2 1HB LYS 2 0.960 -2.067 13.335 16 1HG LYS 2 2HG LYS 2 1.734 0.164 15.117 17 2HG LYS 2 1HG LYS 2 1.961 -1.479 15.721 18 1HD LYS 2 2HD LYS 2 2.949 -1.661 13.177 19 2HD LYS 2 1HD LYS 2 3.409 -0.020 13.633 20 1HE LYS 2 2HE LYS 2 3.901 -1.923 15.766 21 2HE LYS 2 1HE LYS 2 4.750 -2.358 14.283 22 1HZ LYS 2 1HZ LYS 2 5.976 -0.848 15.845 23 2HZ LYS 2 2HZ LYS 2 4.860 0.361 15.454 24 3HZ LYS 2 3HZ LYS 2 5.855 -0.293 14.252 25 H ARG 3 H ARG 3 -1.361 1.053 11.522 26 HA ARG 3 HA ARG 3 -2.601 -1.391 10.453 27 1HB ARG 3 2HB ARG 3 -4.548 -0.099 9.869 28 2HB ARG 3 1HB ARG 3 -4.198 0.107 11.578 29 1HG ARG 3 2HG ARG 3 -3.061 2.081 9.705 30 2HG ARG 3 1HG ARG 3 -4.800 2.123 9.993 31 1HD ARG 3 2HD ARG 3 -3.596 1.825 12.512 32 2HD ARG 3 1HD ARG 3 -2.653 3.050 11.663 33 HE ARG 3 HE ARG 3 -4.440 4.477 11.797 34 1HH1 ARG 3 1HH1 ARG 3 -5.508 1.246 12.566 35 2HH1 ARG 3 2HH1 ARG 3 -7.075 1.754 13.097 36 1HH2 ARG 3 1HH2 ARG 3 -6.501 5.150 12.497 37 2HH2 ARG 3 2HH2 ARG 3 -7.640 3.972 13.059 38 H VAL 4 H VAL 4 -2.628 -1.723 8.246 39 HA VAL 4 HA VAL 4 -1.258 0.319 6.616 40 HB VAL 4 HB VAL 4 -0.915 -2.670 6.316 41 1HG1 VAL 4 1HG1 VAL 4 0.100 -0.299 4.807 42 2HG1 VAL 4 2HG1 VAL 4 -0.555 -1.818 4.199 43 3HG1 VAL 4 3HG1 VAL 4 1.068 -1.770 4.888 44 1HG2 VAL 4 1HG2 VAL 4 1.055 -0.643 7.374 45 2HG2 VAL 4 2HG2 VAL 4 1.324 -2.376 7.184 46 3HG2 VAL 4 3HG2 VAL 4 0.153 -1.790 8.365 47 H LEU 5 H LEU 5 -1.732 0.188 4.298 48 HA LEU 5 HA LEU 5 -4.454 -0.818 3.816 49 1HB LEU 5 2HB LEU 5 -4.170 1.656 3.763 50 2HB LEU 5 1HB LEU 5 -3.054 1.461 2.424 51 HG LEU 5 HG LEU 5 -4.861 0.470 1.070 52 1HD1 LEU 5 1HD1 LEU 5 -7.218 1.002 2.108 53 2HD1 LEU 5 2HD1 LEU 5 -6.344 0.795 3.626 54 3HD1 LEU 5 3HD1 LEU 5 -6.391 -0.517 2.450 55 1HD2 LEU 5 1HD2 LEU 5 -6.303 2.845 1.680 56 2HD2 LEU 5 2HD2 LEU 5 -5.192 2.540 0.346 57 3HD2 LEU 5 3HD2 LEU 5 -4.582 3.176 1.873 58 H VAL 6 H VAL 6 -4.756 -2.280 2.274 59 HA VAL 6 HA VAL 6 -2.526 -2.800 0.412 60 HB VAL 6 HB VAL 6 -4.591 -4.801 1.324 61 1HG1 VAL 6 1HG1 VAL 6 -3.745 -5.472 -0.764 62 2HG1 VAL 6 2HG1 VAL 6 -2.825 -6.395 0.423 63 3HG1 VAL 6 3HG1 VAL 6 -2.102 -4.983 -0.349 64 1HG2 VAL 6 1HG2 VAL 6 -3.118 -5.620 2.923 65 2HG2 VAL 6 2HG2 VAL 6 -2.938 -3.873 3.082 66 3HG2 VAL 6 3HG2 VAL 6 -1.729 -4.807 2.203 67 H VAL 7 H VAL 7 -3.275 -1.438 -1.228 68 HA VAL 7 HA VAL 7 -5.952 -1.779 -2.275 69 HB VAL 7 HB VAL 7 -3.702 -0.191 -3.517 70 1HG1 VAL 7 1HG1 VAL 7 -6.675 -0.284 -3.873 71 2HG1 VAL 7 2HG1 VAL 7 -5.402 -0.362 -5.092 72 3HG1 VAL 7 3HG1 VAL 7 -5.757 1.165 -4.284 73 1HG2 VAL 7 1HG2 VAL 7 -5.780 0.849 -1.597 74 2HG2 VAL 7 2HG2 VAL 7 -4.416 1.727 -2.291 75 3HG2 VAL 7 3HG2 VAL 7 -4.131 0.433 -1.127 76 H ASP 8 H ASP 8 -6.275 -3.681 -3.280 77 HA ASP 8 HA ASP 8 -4.545 -4.302 -5.566 78 1HB ASP 8 2HB ASP 8 -3.881 -5.724 -3.632 79 2HB ASP 8 1HB ASP 8 -5.519 -6.365 -3.575 80 H ASP 9 H ASP 9 -5.596 -5.088 -7.348 81 HA ASP 9 HA ASP 9 -8.495 -4.890 -7.302 82 1HB ASP 9 2HB ASP 9 -7.175 -3.789 -9.088 83 2HB ASP 9 1HB ASP 9 -6.633 -5.372 -9.637 84 H GLU 10 H GLU 10 -7.121 -7.198 -6.039 85 HA GLU 10 HA GLU 10 -8.783 -9.254 -7.187 86 1HB GLU 10 2HB GLU 10 -6.333 -9.142 -8.277 87 2HB GLU 10 1HB GLU 10 -5.961 -10.115 -6.861 88 1HG GLU 10 2HG GLU 10 -8.275 -11.241 -7.916 89 2HG GLU 10 1HG GLU 10 -7.272 -10.857 -9.314 90 H GLU 11 H GLU 11 -8.030 -11.452 -5.917 91 HA GLU 11 HA GLU 11 -7.849 -10.684 -3.077 92 1HB GLU 11 2HB GLU 11 -9.338 -12.574 -2.560 93 2HB GLU 11 1HB GLU 11 -10.116 -11.399 -3.611 94 1HG GLU 11 2HG GLU 11 -10.229 -12.825 -5.363 95 2HG GLU 11 1HG GLU 11 -8.736 -13.656 -4.927 96 H SER 12 H SER 12 -5.549 -11.202 -4.428 97 HA SER 12 HA SER 12 -4.852 -13.981 -3.787 98 1HB SER 12 2HB SER 12 -4.227 -13.489 -6.018 99 2HB SER 12 1HB SER 12 -3.569 -11.914 -5.570 100 HG SER 12 HG SER 12 -1.746 -12.836 -5.084 101 H ILE 13 H ILE 13 -3.559 -10.679 -3.428 102 HA ILE 13 HA ILE 13 -1.595 -11.488 -1.506 103 HB ILE 13 HB ILE 13 -2.560 -8.683 -2.061 104 1HG1 ILE 13 2HG1 ILE 13 -1.872 -9.804 -4.147 105 2HG1 ILE 13 1HG1 ILE 13 -0.749 -8.525 -3.695 106 1HG2 ILE 13 1HG2 ILE 13 -0.174 -9.856 -0.689 107 2HG2 ILE 13 2HG2 ILE 13 -1.260 -8.578 -0.143 108 3HG2 ILE 13 3HG2 ILE 13 -0.091 -8.254 -1.423 109 1HD1 ILE 13 1HD1 ILE 13 -0.276 -11.418 -3.046 110 2HD1 ILE 13 2HD1 ILE 13 0.874 -10.082 -2.979 111 3HD1 ILE 13 3HD1 ILE 13 0.279 -10.655 -4.537 112 H THR 14 H THR 14 -4.685 -9.744 -1.341 113 HA THR 14 HA THR 14 -4.691 -9.181 1.386 114 HB THR 14 HB THR 14 -7.116 -8.962 1.181 115 HG1 THR 14 1HG THR 14 -6.730 -10.309 -1.279 116 1HG2 THR 14 1HG2 THR 14 -5.835 -7.145 0.229 117 2HG2 THR 14 2HG2 THR 14 -7.287 -7.447 -0.726 118 3HG2 THR 14 3HG2 THR 14 -5.718 -8.008 -1.305 119 H SER 15 H SER 15 -5.101 -12.187 -0.242 120 HA SER 15 HA SER 15 -6.572 -13.538 1.787 121 1HB SER 15 2HB SER 15 -5.940 -14.133 -0.786 122 2HB SER 15 1HB SER 15 -4.782 -15.150 0.072 123 HG SER 15 HG SER 15 -6.714 -15.823 1.343 124 H SER 16 H SER 16 -3.122 -13.288 1.012 125 HA SER 16 HA SER 16 -2.489 -14.739 3.483 126 1HB SER 16 2HB SER 16 -0.080 -14.459 2.362 127 2HB SER 16 1HB SER 16 -1.180 -15.757 1.901 128 HG SER 16 HG SER 16 -1.144 -14.947 -0.024 129 H LEU 17 H LEU 17 -1.296 -11.898 1.685 130 HA LEU 17 HA LEU 17 0.299 -10.742 3.578 131 1HB LEU 17 2HB LEU 17 0.034 -9.881 1.306 132 2HB LEU 17 1HB LEU 17 -1.591 -9.349 1.678 133 HG LEU 17 HG LEU 17 0.410 -7.655 1.642 134 1HD1 LEU 17 1HD1 LEU 17 -0.789 -6.241 3.222 135 2HD1 LEU 17 2HD1 LEU 17 -1.681 -7.642 3.812 136 3HD1 LEU 17 3HD1 LEU 17 -1.902 -7.092 2.152 137 1HD2 LEU 17 1HD2 LEU 17 1.386 -7.272 3.837 138 2HD2 LEU 17 2HD2 LEU 17 1.802 -8.878 3.239 139 3HD2 LEU 17 3HD2 LEU 17 0.553 -8.691 4.471 140 H SER 18 H SER 18 -3.175 -10.006 3.162 141 HA SER 18 HA SER 18 -3.484 -8.332 5.345 142 1HB SER 18 2HB SER 18 -5.170 -9.101 3.468 143 2HB SER 18 1HB SER 18 -5.664 -10.278 4.684 144 HG SER 18 HG SER 18 -6.910 -8.451 4.947 145 H ALA 19 H ALA 19 -3.746 -11.867 5.211 146 HA ALA 19 HA ALA 19 -4.477 -12.261 7.901 147 1HB ALA 19 1HB ALA 19 -4.826 -14.086 6.481 148 2HB ALA 19 2HB ALA 19 -3.468 -14.584 7.492 149 3HB ALA 19 3HB ALA 19 -3.183 -14.021 5.845 150 H ILE 20 H ILE 20 -1.347 -12.059 6.292 151 HA ILE 20 HA ILE 20 0.300 -12.827 8.408 152 HB ILE 20 HB ILE 20 0.739 -11.014 6.052 153 1HG1 ILE 20 2HG1 ILE 20 2.360 -13.426 6.526 154 2HG1 ILE 20 1HG1 ILE 20 0.645 -13.700 6.232 155 1HG2 ILE 20 1HG2 ILE 20 2.728 -11.671 8.215 156 2HG2 ILE 20 2HG2 ILE 20 2.179 -10.073 7.710 157 3HG2 ILE 20 3HG2 ILE 20 3.170 -11.048 6.625 158 1HD1 ILE 20 1HD1 ILE 20 2.425 -12.090 4.425 159 2HD1 ILE 20 2HD1 ILE 20 0.768 -12.611 4.116 160 3HD1 ILE 20 3HD1 ILE 20 2.064 -13.803 4.204 161 H LEU 21 H LEU 21 -0.281 -9.459 7.360 162 HA LEU 21 HA LEU 21 0.817 -8.158 9.513 163 1HB LEU 21 2HB LEU 21 -1.670 -7.378 7.999 164 2HB LEU 21 1HB LEU 21 -0.689 -6.297 8.972 165 HG LEU 21 HG LEU 21 0.884 -7.682 6.959 166 1HD1 LEU 21 1HD1 LEU 21 -1.198 -7.624 5.710 167 2HD1 LEU 21 2HD1 LEU 21 -0.022 -6.497 5.034 168 3HD1 LEU 21 3HD1 LEU 21 -1.352 -5.895 6.026 169 1HD2 LEU 21 1HD2 LEU 21 1.170 -5.474 8.435 170 2HD2 LEU 21 2HD2 LEU 21 0.521 -4.752 6.963 171 3HD2 LEU 21 3HD2 LEU 21 1.997 -5.717 6.897 172 H GLU 22 H GLU 22 -2.293 -9.746 9.276 173 HA GLU 22 HA GLU 22 -3.428 -8.711 11.654 174 1HB GLU 22 2HB GLU 22 -4.001 -11.055 9.896 175 2HB GLU 22 1HB GLU 22 -4.793 -10.931 11.460 176 1HG GLU 22 2HG GLU 22 -5.555 -8.635 10.758 177 2HG GLU 22 1HG GLU 22 -4.979 -9.034 9.141 178 H GLU 23 H GLU 23 -1.215 -11.322 10.978 179 HA GLU 23 HA GLU 23 -1.480 -12.538 13.572 180 1HB GLU 23 2HB GLU 23 -0.849 -14.035 11.866 181 2HB GLU 23 1HB GLU 23 0.355 -12.930 11.219 182 1HG GLU 23 2HG GLU 23 1.950 -13.707 12.558 183 2HG GLU 23 1HG GLU 23 0.891 -13.723 13.966 184 H GLU 24 H GLU 24 0.602 -10.218 11.991 185 HA GLU 24 HA GLU 24 2.519 -10.096 14.118 186 1HB GLU 24 2HB GLU 24 2.031 -8.230 11.793 187 2HB GLU 24 1HB GLU 24 3.413 -8.151 12.878 188 1HG GLU 24 2HG GLU 24 2.792 -10.629 11.315 189 2HG GLU 24 1HG GLU 24 3.713 -9.300 10.615 190 H GLY 25 H GLY 25 -0.596 -8.856 13.693 191 1HA GLY 25 2HA GLY 25 -1.782 -7.682 15.349 192 2HA GLY 25 1HA GLY 25 -0.252 -7.134 16.019 193 H TYR 26 H TYR 26 -2.054 -6.867 12.957 194 HA TYR 26 HA TYR 26 -1.477 -3.980 12.993 195 1HB TYR 26 2HB TYR 26 -1.234 -5.954 10.750 196 2HB TYR 26 1HB TYR 26 -1.536 -4.257 10.408 197 HD1 TYR 26 1HD TYR 26 0.196 -2.639 10.589 198 HD2 TYR 26 2HD TYR 26 0.866 -6.630 11.897 199 HE1 TYR 26 1HE TYR 26 2.603 -2.173 10.756 200 HE2 TYR 26 2HE TYR 26 3.275 -6.176 12.070 201 HH TYR 26 HH TYR 26 4.746 -4.136 12.394 202 H HIS 27 H HIS 27 -2.895 -3.096 10.922 203 HA HIS 27 HA HIS 27 -5.629 -4.092 11.229 204 1HB HIS 27 2HB HIS 27 -4.628 -1.665 12.331 205 2HB HIS 27 1HB HIS 27 -5.681 -1.234 10.993 206 HD1 HIS 27 1HD HIS 27 -6.255 -4.168 13.301 207 HD2 HIS 27 2HD HIS 27 -7.856 -0.425 12.468 208 HE1 HIS 27 1HE HIS 27 -8.398 -4.048 14.609 209 HE2 HIS 27 2HE HIS 27 -9.391 -1.806 14.026 210 HA PRO 28 HA PRO 28 -4.266 -3.406 6.795 211 1HB PRO 28 2HB PRO 28 -5.742 -5.945 6.495 212 2HB PRO 28 1HB PRO 28 -4.145 -5.492 5.891 213 1HG PRO 28 2HG PRO 28 -4.432 -7.212 7.927 214 2HG PRO 28 1HG PRO 28 -3.090 -6.057 7.863 215 1HD PRO 28 2HD PRO 28 -5.605 -5.945 9.479 216 2HD PRO 28 1HD PRO 28 -3.955 -5.473 9.927 217 H ASP 29 H ASP 29 -5.530 -2.230 5.520 218 HA ASP 29 HA ASP 29 -8.422 -2.438 5.904 219 1HB ASP 29 2HB ASP 29 -6.706 -0.183 5.876 220 2HB ASP 29 1HB ASP 29 -7.836 -0.044 4.534 221 H THR 30 H THR 30 -6.256 -3.500 3.870 222 HA THR 30 HA THR 30 -6.164 -3.387 1.458 223 HB THR 30 HB THR 30 -6.884 -5.552 0.910 224 HG1 THR 30 1HG THR 30 -9.029 -5.489 1.473 225 1HG2 THR 30 1HG2 THR 30 -5.761 -6.765 2.417 226 2HG2 THR 30 2HG2 THR 30 -6.711 -6.157 3.773 227 3HG2 THR 30 3HG2 THR 30 -5.386 -5.191 3.121 228 H ALA 31 H ALA 31 -6.972 -2.425 -0.221 229 HA ALA 31 HA ALA 31 -9.872 -1.942 -0.354 230 1HB ALA 31 1HB ALA 31 -9.480 0.117 -1.183 231 2HB ALA 31 2HB ALA 31 -8.119 -0.423 -2.164 232 3HB ALA 31 3HB ALA 31 -7.893 -0.096 -0.446 233 H LYS 32 H LYS 32 -9.963 -1.250 -3.090 234 HA LYS 32 HA LYS 32 -9.420 -3.865 -4.330 235 1HB LYS 32 2HB LYS 32 -11.601 -1.918 -5.085 236 2HB LYS 32 1HB LYS 32 -11.371 -3.541 -5.719 237 1HG LYS 32 2HG LYS 32 -11.721 -4.383 -3.372 238 2HG LYS 32 1HG LYS 32 -12.221 -2.745 -2.952 239 1HD LYS 32 2HD LYS 32 -14.270 -3.540 -3.489 240 2HD LYS 32 1HD LYS 32 -13.748 -3.152 -5.130 241 1HE LYS 32 2HE LYS 32 -13.310 -5.845 -3.860 242 2HE LYS 32 1HE LYS 32 -14.752 -5.448 -4.793 243 1HZ LYS 32 1HZ LYS 32 -13.261 -4.888 -6.669 244 2HZ LYS 32 2HZ LYS 32 -13.184 -6.516 -6.217 245 3HZ LYS 32 3HZ LYS 32 -11.948 -5.455 -5.766 246 H THR 33 H THR 33 -9.235 -0.396 -4.695 247 HA THR 33 HA THR 33 -7.127 -0.580 -6.575 248 HB THR 33 HB THR 33 -8.997 0.920 -8.098 249 HG1 THR 33 1HG THR 33 -10.749 -0.234 -8.137 250 1HG2 THR 33 1HG2 THR 33 -7.054 -0.391 -8.943 251 2HG2 THR 33 2HG2 THR 33 -8.553 -0.628 -9.840 252 3HG2 THR 33 3HG2 THR 33 -8.008 -1.853 -8.695 253 H LEU 34 H LEU 34 -7.231 1.864 -7.789 254 HA LEU 34 HA LEU 34 -6.488 3.603 -5.700 255 1HB LEU 34 2HB LEU 34 -7.217 4.401 -8.515 256 2HB LEU 34 1HB LEU 34 -6.169 5.264 -7.404 257 HG LEU 34 HG LEU 34 -5.563 2.562 -8.608 258 1HD1 LEU 34 1HD1 LEU 34 -4.045 5.044 -9.239 259 2HD1 LEU 34 2HD1 LEU 34 -5.574 4.739 -10.065 260 3HD1 LEU 34 3HD1 LEU 34 -4.255 3.575 -10.192 261 1HD2 LEU 34 1HD2 LEU 34 -4.623 3.236 -6.293 262 2HD2 LEU 34 2HD2 LEU 34 -3.609 4.348 -7.212 263 3HD2 LEU 34 3HD2 LEU 34 -3.518 2.614 -7.518 264 H ARG 35 H ARG 35 -9.388 3.455 -7.741 265 HA ARG 35 HA ARG 35 -10.678 5.728 -6.752 266 1HB ARG 35 2HB ARG 35 -11.296 3.620 -8.516 267 2HB ARG 35 1HB ARG 35 -12.575 3.623 -7.309 268 1HG ARG 35 2HG ARG 35 -13.370 5.657 -7.952 269 2HG ARG 35 1HG ARG 35 -11.794 6.223 -8.507 270 1HD ARG 35 2HD ARG 35 -12.716 3.961 -10.057 271 2HD ARG 35 1HD ARG 35 -13.887 5.279 -10.081 272 HE ARG 35 HE ARG 35 -11.205 6.155 -10.576 273 1HH1 ARG 35 1HH1 ARG 35 -14.055 4.778 -12.045 274 2HH1 ARG 35 2HH1 ARG 35 -13.673 5.363 -13.629 275 1HH2 ARG 35 1HH2 ARG 35 -10.702 6.927 -12.659 276 2HH2 ARG 35 2HH2 ARG 35 -11.770 6.583 -13.978 277 H GLU 36 H GLU 36 -10.943 2.336 -5.718 278 HA GLU 36 HA GLU 36 -12.668 2.895 -3.527 279 1HB GLU 36 2HB GLU 36 -11.509 0.580 -4.762 280 2HB GLU 36 1HB GLU 36 -11.236 0.494 -3.027 281 1HG GLU 36 2HG GLU 36 -13.953 1.156 -4.063 282 2HG GLU 36 1HG GLU 36 -13.390 -0.515 -4.069 283 H ALA 37 H ALA 37 -9.212 2.847 -3.977 284 HA ALA 37 HA ALA 37 -8.569 2.826 -1.182 285 1HB ALA 37 1HB ALA 37 -6.279 3.291 -1.926 286 2HB ALA 37 2HB ALA 37 -6.867 3.546 -3.568 287 3HB ALA 37 3HB ALA 37 -6.995 1.953 -2.823 288 H GLU 38 H GLU 38 -9.338 5.248 -3.548 289 HA GLU 38 HA GLU 38 -8.235 7.454 -2.091 290 1HB GLU 38 2HB GLU 38 -10.067 7.183 -4.443 291 2HB GLU 38 1HB GLU 38 -9.866 8.742 -3.657 292 1HG GLU 38 2HG GLU 38 -7.390 8.474 -4.010 293 2HG GLU 38 1HG GLU 38 -7.770 7.085 -5.026 294 H LYS 39 H LYS 39 -11.369 5.891 -2.368 295 HA LYS 39 HA LYS 39 -12.797 7.785 -0.799 296 1HB LYS 39 2HB LYS 39 -14.008 6.318 -2.287 297 2HB LYS 39 1HB LYS 39 -13.361 4.895 -1.485 298 1HG LYS 39 2HG LYS 39 -14.980 6.852 0.076 299 2HG LYS 39 1HG LYS 39 -15.785 5.700 -0.990 300 1HD LYS 39 2HD LYS 39 -14.094 4.043 0.288 301 2HD LYS 39 1HD LYS 39 -14.341 5.254 1.548 302 1HE LYS 39 2HE LYS 39 -16.466 4.622 1.909 303 2HE LYS 39 1HE LYS 39 -16.794 4.400 0.192 304 1HZ LYS 39 1HZ LYS 39 -15.686 2.484 2.128 305 2HZ LYS 39 2HZ LYS 39 -15.310 2.320 0.488 306 3HZ LYS 39 3HZ LYS 39 -16.923 2.266 0.994 307 H LYS 40 H LYS 40 -10.975 4.865 -0.115 308 HA LYS 40 HA LYS 40 -11.752 4.703 2.635 309 1HB LYS 40 2HB LYS 40 -9.404 3.450 1.202 310 2HB LYS 40 1HB LYS 40 -9.971 3.017 2.808 311 1HG LYS 40 2HG LYS 40 -12.113 2.877 0.882 312 2HG LYS 40 1HG LYS 40 -10.741 1.886 0.388 313 1HD LYS 40 2HD LYS 40 -11.683 0.344 1.732 314 2HD LYS 40 1HD LYS 40 -10.899 1.261 3.020 315 1HE LYS 40 2HE LYS 40 -13.108 2.673 2.925 316 2HE LYS 40 1HE LYS 40 -13.764 1.210 2.190 317 1HZ LYS 40 1HZ LYS 40 -14.068 1.254 4.600 318 2HZ LYS 40 2HZ LYS 40 -12.393 1.329 4.823 319 3HZ LYS 40 3HZ LYS 40 -13.092 -0.043 4.124 320 H ILE 41 H ILE 41 -9.092 6.152 0.849 321 HA ILE 41 HA ILE 41 -7.673 6.894 3.260 322 HB ILE 41 HB ILE 41 -7.165 7.657 0.382 323 1HG1 ILE 41 2HG1 ILE 41 -5.461 5.797 1.993 324 2HG1 ILE 41 1HG1 ILE 41 -6.941 5.189 1.258 325 1HG2 ILE 41 1HG2 ILE 41 -5.502 8.087 2.859 326 2HG2 ILE 41 2HG2 ILE 41 -6.215 9.326 1.825 327 3HG2 ILE 41 3HG2 ILE 41 -4.912 8.306 1.211 328 1HD1 ILE 41 1HD1 ILE 41 -5.966 6.283 -0.900 329 2HD1 ILE 41 2HD1 ILE 41 -5.393 4.706 -0.354 330 3HD1 ILE 41 3HD1 ILE 41 -4.438 6.152 -0.028 331 H LYS 42 H LYS 42 -10.094 8.247 1.218 332 HA LYS 42 HA LYS 42 -9.637 10.982 1.601 333 1HB LYS 42 2HB LYS 42 -11.734 9.314 0.550 334 2HB LYS 42 1HB LYS 42 -12.402 10.660 1.462 335 1HG LYS 42 2HG LYS 42 -10.238 11.331 -0.418 336 2HG LYS 42 1HG LYS 42 -11.755 10.789 -1.139 337 1HD LYS 42 2HD LYS 42 -12.979 12.528 -0.077 338 2HD LYS 42 1HD LYS 42 -11.610 12.949 0.954 339 1HE LYS 42 2HE LYS 42 -11.170 14.527 -0.567 340 2HE LYS 42 1HE LYS 42 -10.554 13.207 -1.559 341 1HZ LYS 42 1HZ LYS 42 -13.418 13.668 -1.701 342 2HZ LYS 42 2HZ LYS 42 -12.317 13.298 -2.931 343 3HZ LYS 42 3HZ LYS 42 -12.448 14.886 -2.362 344 H GLU 43 H GLU 43 -10.719 8.585 3.792 345 HA GLU 43 HA GLU 43 -11.386 10.684 5.733 346 1HB GLU 43 2HB GLU 43 -12.735 7.987 5.608 347 2HB GLU 43 1HB GLU 43 -13.144 9.331 6.665 348 1HG GLU 43 2HG GLU 43 -13.854 10.644 4.747 349 2HG GLU 43 1HG GLU 43 -13.406 9.325 3.667 350 H LEU 44 H LEU 44 -10.337 7.328 5.282 351 HA LEU 44 HA LEU 44 -9.334 7.152 7.983 352 1HB LEU 44 2HB LEU 44 -10.067 5.324 5.980 353 2HB LEU 44 1HB LEU 44 -8.350 5.081 6.235 354 HG LEU 44 HG LEU 44 -9.704 3.581 7.622 355 1HD1 LEU 44 1HD1 LEU 44 -8.277 3.690 9.365 356 2HD1 LEU 44 2HD1 LEU 44 -8.590 5.401 9.655 357 3HD1 LEU 44 3HD1 LEU 44 -7.490 4.911 8.366 358 1HD2 LEU 44 1HD2 LEU 44 -11.141 4.379 9.344 359 2HD2 LEU 44 2HD2 LEU 44 -11.620 5.182 7.848 360 3HD2 LEU 44 3HD2 LEU 44 -10.665 6.051 9.049 361 H PHE 45 H PHE 45 -7.431 7.880 8.621 362 HA PHE 45 HA PHE 45 -5.453 8.725 6.688 363 1HB PHE 45 2HB PHE 45 -6.001 10.069 8.721 364 2HB PHE 45 1HB PHE 45 -5.312 8.787 9.711 365 HD1 PHE 45 1HD PHE 45 -4.606 11.558 7.457 366 HD2 PHE 45 2HD PHE 45 -2.913 8.386 9.733 367 HE1 PHE 45 1HE PHE 45 -2.381 12.586 7.229 368 HE2 PHE 45 2HE PHE 45 -0.685 9.408 9.510 369 HZ PHE 45 HZ PHE 45 -0.418 11.511 8.256 370 H PHE 46 H PHE 46 -4.733 6.780 5.783 371 HA PHE 46 HA PHE 46 -3.700 4.673 7.437 372 1HB PHE 46 2HB PHE 46 -3.634 5.147 4.459 373 2HB PHE 46 1HB PHE 46 -2.917 3.732 5.223 374 HD1 PHE 46 1HD PHE 46 -5.412 4.332 3.235 375 HD2 PHE 46 2HD PHE 46 -4.920 3.084 7.272 376 HE1 PHE 46 1HE PHE 46 -7.592 3.196 3.142 377 HE2 PHE 46 2HE PHE 46 -7.099 1.942 7.187 378 HZ PHE 46 HZ PHE 46 -8.438 2.001 5.120 379 HA PRO 47 HA PRO 47 0.409 6.413 7.631 380 1HB PRO 47 2HB PRO 47 1.452 4.252 9.064 381 2HB PRO 47 1HB PRO 47 0.697 5.686 9.755 382 1HG PRO 47 2HG PRO 47 -0.281 3.015 9.788 383 2HG PRO 47 1HG PRO 47 -1.077 4.467 10.410 384 1HD PRO 47 2HD PRO 47 -1.536 3.004 7.895 385 2HD PRO 47 1HD PRO 47 -2.611 4.103 8.778 386 H VAL 48 H VAL 48 -0.385 3.305 6.336 387 HA VAL 48 HA VAL 48 1.941 3.408 4.593 388 HB VAL 48 HB VAL 48 1.211 0.816 5.924 389 1HG1 VAL 48 1HG1 VAL 48 3.372 1.804 4.148 390 2HG1 VAL 48 2HG1 VAL 48 2.536 0.251 4.160 391 3HG1 VAL 48 3HG1 VAL 48 3.789 0.588 5.354 392 1HG2 VAL 48 1HG2 VAL 48 1.783 2.092 7.776 393 2HG2 VAL 48 2HG2 VAL 48 3.018 2.989 6.895 394 3HG2 VAL 48 3HG2 VAL 48 3.294 1.301 7.328 395 H ILE 49 H ILE 49 1.431 2.884 2.571 396 HA ILE 49 HA ILE 49 -1.114 1.496 2.066 397 HB ILE 49 HB ILE 49 0.110 3.348 0.051 398 1HG1 ILE 49 2HG1 ILE 49 -0.049 4.697 2.078 399 2HG1 ILE 49 1HG1 ILE 49 -1.293 5.186 0.932 400 1HG2 ILE 49 1HG2 ILE 49 -2.463 1.978 0.491 401 2HG2 ILE 49 2HG2 ILE 49 -1.622 2.368 -1.009 402 3HG2 ILE 49 3HG2 ILE 49 -2.555 3.609 -0.173 403 1HD1 ILE 49 1HD1 ILE 49 -1.544 3.944 3.586 404 2HD1 ILE 49 2HD1 ILE 49 -2.678 3.391 2.355 405 3HD1 ILE 49 3HD1 ILE 49 -2.588 5.103 2.764 406 H VAL 50 H VAL 50 -1.186 0.173 0.137 407 HA VAL 50 HA VAL 50 1.370 -0.527 -1.066 408 HB VAL 50 HB VAL 50 -0.339 -2.589 0.333 409 1HG1 VAL 50 1HG1 VAL 50 2.263 -2.937 -1.155 410 2HG1 VAL 50 2HG1 VAL 50 0.675 -3.399 -1.768 411 3HG1 VAL 50 3HG1 VAL 50 1.338 -4.200 -0.344 412 1HG2 VAL 50 1HG2 VAL 50 1.627 -2.890 1.777 413 2HG2 VAL 50 2HG2 VAL 50 0.956 -1.262 1.898 414 3HG2 VAL 50 3HG2 VAL 50 2.420 -1.545 0.955 415 H LEU 51 H LEU 51 0.780 -0.028 -3.073 416 HA LEU 51 HA LEU 51 -1.800 -0.843 -4.123 417 1HB LEU 51 2HB LEU 51 -0.978 1.380 -4.651 418 2HB LEU 51 1HB LEU 51 0.468 0.700 -5.375 419 HG LEU 51 HG LEU 51 -0.971 -0.388 -7.101 420 1HD1 LEU 51 1HD1 LEU 51 -3.263 0.298 -7.358 421 2HD1 LEU 51 2HD1 LEU 51 -3.145 1.351 -5.948 422 3HD1 LEU 51 3HD1 LEU 51 -3.045 -0.398 -5.751 423 1HD2 LEU 51 1HD2 LEU 51 -1.011 2.608 -6.811 424 2HD2 LEU 51 2HD2 LEU 51 -1.534 1.770 -8.272 425 3HD2 LEU 51 3HD2 LEU 51 0.133 1.617 -7.717 426 H ASP 52 H ASP 52 -1.992 -2.881 -4.732 427 HA ASP 52 HA ASP 52 0.242 -4.293 -5.976 428 1HB ASP 52 2HB ASP 52 -1.565 -5.149 -4.155 429 2HB ASP 52 1HB ASP 52 -2.377 -5.639 -5.638 430 H VAL 53 H VAL 53 0.334 -3.344 -8.000 431 HA VAL 53 HA VAL 53 -1.909 -2.918 -9.665 432 HB VAL 53 HB VAL 53 -0.289 -2.556 -11.469 433 1HG1 VAL 53 1HG1 VAL 53 0.799 -0.658 -10.539 434 2HG1 VAL 53 2HG1 VAL 53 0.753 -1.348 -8.916 435 3HG1 VAL 53 3HG1 VAL 53 -0.741 -0.834 -9.698 436 1HG2 VAL 53 1HG2 VAL 53 1.769 -3.419 -11.504 437 2HG2 VAL 53 2HG2 VAL 53 1.273 -4.398 -10.125 438 3HG2 VAL 53 3HG2 VAL 53 2.111 -2.870 -9.864 439 H TRP 54 H TRP 54 -2.813 -5.177 -9.183 440 HA TRP 54 HA TRP 54 -1.653 -7.427 -10.466 441 1HB TRP 54 2HB TRP 54 -3.204 -7.843 -8.696 442 2HB TRP 54 1HB TRP 54 -4.452 -6.870 -9.468 443 HD1 TRP 54 HD TRP 54 -2.419 -10.024 -10.513 444 HE1 TRP 54 1HE TRP 54 -4.060 -11.681 -11.597 445 HE3 TRP 54 3HE TRP 54 -6.719 -7.285 -10.143 446 HZ2 TRP 54 2HZ TRP 54 -6.809 -11.818 -12.214 447 HZ3 TRP 54 3HZ TRP 54 -8.811 -8.250 -11.005 448 HH2 TRP 54 HH TRP 54 -8.854 -10.470 -12.019 449 H MET 55 H MET 55 -4.943 -6.719 -11.401 450 HA MET 55 HA MET 55 -4.046 -6.207 -14.151 451 1HB MET 55 2HB MET 55 -5.256 -8.559 -13.269 452 2HB MET 55 1HB MET 55 -6.554 -7.666 -14.046 453 1HG MET 55 2HG MET 55 -3.921 -8.457 -15.265 454 2HG MET 55 1HG MET 55 -5.511 -9.117 -15.644 455 1HE MET 55 1HE MET 55 -3.331 -8.135 -17.531 456 2HE MET 55 2HE MET 55 -3.891 -6.855 -18.606 457 3HE MET 55 3HE MET 55 -4.788 -8.370 -18.497 458 HA PRO 56 HA PRO 56 -7.604 -3.407 -12.703 459 1HB PRO 56 2HB PRO 56 -6.358 -1.257 -11.719 460 2HB PRO 56 1HB PRO 56 -6.628 -2.691 -10.719 461 1HG PRO 56 2HG PRO 56 -4.148 -1.833 -12.164 462 2HG PRO 56 1HG PRO 56 -4.318 -2.459 -10.514 463 1HD PRO 56 2HD PRO 56 -3.553 -3.992 -12.652 464 2HD PRO 56 1HD PRO 56 -4.374 -4.634 -11.215 465 H ASP 57 H ASP 57 -7.516 -0.755 -13.200 466 HA ASP 57 HA ASP 57 -6.084 -0.263 -15.677 467 1HB ASP 57 2HB ASP 57 -8.156 -1.402 -16.396 468 2HB ASP 57 1HB ASP 57 -9.104 -0.162 -15.580 469 H GLY 58 H GLY 58 -5.639 0.972 -13.292 470 1HA GLY 58 2HA GLY 58 -6.883 3.626 -13.679 471 2HA GLY 58 1HA GLY 58 -6.465 2.987 -12.097 472 H ASP 59 H ASP 59 -5.449 5.316 -12.380 473 HA ASP 59 HA ASP 59 -2.747 5.047 -13.503 474 1HB ASP 59 2HB ASP 59 -4.167 7.569 -12.619 475 2HB ASP 59 1HB ASP 59 -2.637 7.470 -13.487 476 H GLY 60 H GLY 60 -1.643 4.005 -11.885 477 1HA GLY 60 2HA GLY 60 -1.890 4.717 -9.127 478 2HA GLY 60 1HA GLY 60 -0.669 3.663 -9.824 479 H VAL 61 H VAL 61 0.216 5.719 -11.737 480 HA VAL 61 HA VAL 61 2.324 6.818 -10.314 481 HB VAL 61 HB VAL 61 1.133 7.976 -12.833 482 1HG1 VAL 61 1HG1 VAL 61 3.735 8.221 -11.416 483 2HG1 VAL 61 2HG1 VAL 61 2.768 9.454 -12.226 484 3HG1 VAL 61 3HG1 VAL 61 3.710 8.307 -13.178 485 1HG2 VAL 61 1HG2 VAL 61 2.886 5.572 -12.417 486 2HG2 VAL 61 2HG2 VAL 61 2.855 6.453 -13.944 487 3HG2 VAL 61 3HG2 VAL 61 1.384 5.695 -13.333 488 H ASN 62 H ASN 62 -0.765 8.290 -11.251 489 HA ASN 62 HA ASN 62 -0.115 10.780 -9.945 490 1HB ASN 62 2HB ASN 62 -1.961 9.941 -11.915 491 2HB ASN 62 1HB ASN 62 -2.912 10.547 -10.562 492 1HD2 ASN 62 1HD2 ASN 62 -0.277 11.349 -12.754 493 2HD2 ASN 62 2HD2 ASN 62 -0.518 13.059 -12.710 494 H PHE 63 H PHE 63 -0.913 7.869 -8.708 495 HA PHE 63 HA PHE 63 -2.853 8.792 -6.757 496 1HB PHE 63 2HB PHE 63 -2.967 6.497 -7.756 497 2HB PHE 63 1HB PHE 63 -1.475 6.106 -6.905 498 HD1 PHE 63 1HD PHE 63 -4.421 8.051 -5.749 499 HD2 PHE 63 2HD PHE 63 -2.080 4.523 -5.322 500 HE1 PHE 63 1HE PHE 63 -5.721 7.435 -3.754 501 HE2 PHE 63 2HE PHE 63 -3.377 3.900 -3.327 502 HZ PHE 63 HZ PHE 63 -5.202 5.357 -2.543 503 H ILE 64 H ILE 64 0.553 7.929 -6.925 504 HA ILE 64 HA ILE 64 1.260 7.719 -4.288 505 HB ILE 64 HB ILE 64 2.809 9.156 -6.449 506 1HG1 ILE 64 2HG1 ILE 64 3.942 6.655 -5.963 507 2HG1 ILE 64 1HG1 ILE 64 2.207 6.354 -5.935 508 1HG2 ILE 64 1HG2 ILE 64 4.771 8.344 -4.974 509 2HG2 ILE 64 2HG2 ILE 64 3.560 8.255 -3.694 510 3HG2 ILE 64 3HG2 ILE 64 3.887 9.793 -4.495 511 1HD1 ILE 64 1HD1 ILE 64 3.698 7.716 -8.166 512 2HD1 ILE 64 2HD1 ILE 64 1.980 7.318 -8.140 513 3HD1 ILE 64 3HD1 ILE 64 3.182 6.029 -8.153 514 H ASP 65 H ASP 65 0.315 10.596 -6.018 515 HA ASP 65 HA ASP 65 1.229 12.415 -3.987 516 1HB ASP 65 2HB ASP 65 0.663 12.759 -6.598 517 2HB ASP 65 1HB ASP 65 -0.872 13.273 -5.904 518 H PHE 66 H PHE 66 -1.784 10.813 -4.826 519 HA PHE 66 HA PHE 66 -3.533 12.261 -3.199 520 1HB PHE 66 2HB PHE 66 -4.197 10.564 -4.912 521 2HB PHE 66 1HB PHE 66 -3.680 9.302 -3.799 522 HD1 PHE 66 1HD PHE 66 -4.773 9.430 -1.408 523 HD2 PHE 66 2HD PHE 66 -6.401 11.199 -4.919 524 HE1 PHE 66 1HE PHE 66 -6.999 9.448 -0.362 525 HE2 PHE 66 2HE PHE 66 -8.631 11.220 -3.879 526 HZ PHE 66 HZ PHE 66 -8.932 10.343 -1.597 527 H ILE 67 H ILE 67 -1.461 9.491 -2.487 528 HA ILE 67 HA ILE 67 -2.358 9.009 0.132 529 HB ILE 67 HB ILE 67 0.287 8.457 -1.213 530 1HG1 ILE 67 2HG1 ILE 67 -0.599 6.068 -0.878 531 2HG1 ILE 67 1HG1 ILE 67 -2.146 6.822 -0.512 532 1HG2 ILE 67 1HG2 ILE 67 1.122 8.383 0.888 533 2HG2 ILE 67 2HG2 ILE 67 0.350 6.797 0.899 534 3HG2 ILE 67 3HG2 ILE 67 -0.466 8.180 1.630 535 1HD1 ILE 67 1HD1 ILE 67 -0.727 7.516 -3.039 536 2HD1 ILE 67 2HD1 ILE 67 -2.451 7.548 -2.671 537 3HD1 ILE 67 3HD1 ILE 67 -1.630 6.006 -2.916 538 H LYS 68 H LYS 68 0.273 11.050 -1.112 539 HA LYS 68 HA LYS 68 1.006 11.992 1.500 540 1HB LYS 68 2HB LYS 68 1.728 13.286 -1.126 541 2HB LYS 68 1HB LYS 68 2.611 13.353 0.394 542 1HG LYS 68 2HG LYS 68 2.311 10.626 -0.467 543 2HG LYS 68 1HG LYS 68 3.026 11.607 -1.748 544 1HD LYS 68 2HD LYS 68 4.054 11.880 1.040 545 2HD LYS 68 1HD LYS 68 4.535 10.480 0.080 546 1HE LYS 68 2HE LYS 68 5.534 11.841 -1.575 547 2HE LYS 68 1HE LYS 68 4.782 13.300 -0.933 548 1HZ LYS 68 1HZ LYS 68 6.162 13.141 1.019 549 2HZ LYS 68 2HZ LYS 68 7.142 13.122 -0.359 550 3HZ LYS 68 3HZ LYS 68 6.835 11.685 0.480 551 H GLU 69 H GLU 69 -1.349 12.845 -0.845 552 HA GLU 69 HA GLU 69 -1.644 15.591 -0.213 553 1HB GLU 69 2HB GLU 69 -2.512 14.358 -2.267 554 2HB GLU 69 1HB GLU 69 -3.824 13.793 -1.243 555 1HG GLU 69 2HG GLU 69 -4.430 16.138 -0.783 556 2HG GLU 69 1HG GLU 69 -3.165 16.656 -1.896 557 H ASN 70 H ASN 70 -3.200 12.643 0.955 558 HA ASN 70 HA ASN 70 -4.391 14.224 3.139 559 1HB ASN 70 2HB ASN 70 -5.516 11.580 2.272 560 2HB ASN 70 1HB ASN 70 -6.314 12.900 3.122 561 1HD2 ASN 70 1HD2 ASN 70 -4.828 12.074 0.022 562 2HD2 ASN 70 2HD2 ASN 70 -5.886 13.038 -0.943 563 H SER 71 H SER 71 -1.790 12.566 2.737 564 HA SER 71 HA SER 71 -1.707 11.576 5.417 565 1HB SER 71 2HB SER 71 -2.345 9.730 3.268 566 2HB SER 71 1HB SER 71 -0.852 9.271 4.084 567 HG SER 71 HG SER 71 -2.111 8.495 5.565 568 HA PRO 72 HA PRO 72 2.288 12.959 3.429 569 1HB PRO 72 2HB PRO 72 2.452 14.781 5.711 570 2HB PRO 72 1HB PRO 72 2.534 15.146 3.985 571 1HG PRO 72 2HG PRO 72 0.419 15.843 5.519 572 2HG PRO 72 1HG PRO 72 0.260 15.428 3.802 573 1HD PRO 72 2HD PRO 72 -0.329 13.762 6.220 574 2HD PRO 72 1HD PRO 72 -1.237 13.904 4.699 575 H ASP 73 H ASP 73 1.261 11.970 6.539 576 HA ASP 73 HA ASP 73 3.995 11.264 7.330 577 1HB ASP 73 2HB ASP 73 2.437 12.583 8.875 578 2HB ASP 73 1HB ASP 73 1.567 11.066 9.089 579 H SER 74 H SER 74 2.396 9.835 5.319 580 HA SER 74 HA SER 74 2.038 7.238 6.649 581 1HB SER 74 2HB SER 74 0.057 8.076 5.458 582 2HB SER 74 1HB SER 74 0.998 8.210 3.975 583 HG SER 74 HG SER 74 0.276 6.248 3.680 584 H VAL 75 H VAL 75 2.179 5.754 4.161 585 HA VAL 75 HA VAL 75 4.816 6.250 3.081 586 HB VAL 75 HB VAL 75 4.322 3.655 4.552 587 1HG1 VAL 75 1HG1 VAL 75 6.383 4.646 2.660 588 2HG1 VAL 75 2HG1 VAL 75 5.777 3.011 2.921 589 3HG1 VAL 75 3HG1 VAL 75 6.954 3.704 4.037 590 1HG2 VAL 75 1HG2 VAL 75 4.680 5.377 6.174 591 2HG2 VAL 75 2HG2 VAL 75 6.024 6.048 5.250 592 3HG2 VAL 75 3HG2 VAL 75 6.184 4.467 6.017 593 H VAL 76 H VAL 76 5.056 5.457 1.080 594 HA VAL 76 HA VAL 76 2.909 3.699 0.074 595 HB VAL 76 HB VAL 76 4.394 5.719 -1.597 596 1HG1 VAL 76 1HG1 VAL 76 3.467 4.384 -3.163 597 2HG1 VAL 76 2HG1 VAL 76 2.023 5.329 -2.805 598 3HG1 VAL 76 3HG1 VAL 76 2.251 3.748 -2.057 599 1HG2 VAL 76 1HG2 VAL 76 2.108 6.068 0.229 600 2HG2 VAL 76 2HG2 VAL 76 1.918 6.765 -1.380 601 3HG2 VAL 76 3HG2 VAL 76 3.279 7.246 -0.366 602 H ILE 77 H ILE 77 3.717 1.726 -0.180 603 HA ILE 77 HA ILE 77 6.482 1.383 -1.055 604 HB ILE 77 HB ILE 77 4.455 -0.691 -0.198 605 1HG1 ILE 77 2HG1 ILE 77 5.140 0.881 1.600 606 2HG1 ILE 77 1HG1 ILE 77 5.674 -0.770 1.901 607 1HG2 ILE 77 1HG2 ILE 77 6.184 -1.555 -1.730 608 2HG2 ILE 77 2HG2 ILE 77 6.311 -2.239 -0.110 609 3HG2 ILE 77 3HG2 ILE 77 7.427 -0.974 -0.622 610 1HD1 ILE 77 1HD1 ILE 77 7.652 0.796 0.467 611 2HD1 ILE 77 2HD1 ILE 77 7.812 -0.168 1.935 612 3HD1 ILE 77 3HD1 ILE 77 7.225 1.493 2.029 613 H VAL 78 H VAL 78 3.246 0.198 -1.984 614 HA VAL 78 HA VAL 78 2.409 -0.559 -3.967 615 HB VAL 78 HB VAL 78 4.451 1.283 -5.217 616 1HG1 VAL 78 1HG1 VAL 78 2.285 1.471 -6.776 617 2HG1 VAL 78 2HG1 VAL 78 2.078 -0.181 -6.197 618 3HG1 VAL 78 3HG1 VAL 78 3.558 0.279 -7.039 619 1HG2 VAL 78 1HG2 VAL 78 1.659 1.959 -4.300 620 2HG2 VAL 78 2HG2 VAL 78 2.820 3.051 -5.056 621 3HG2 VAL 78 3HG2 VAL 78 3.135 2.407 -3.445 622 H ILE 79 H ILE 79 3.029 -2.689 -3.946 623 HA ILE 79 HA ILE 79 5.632 -3.404 -5.066 624 HB ILE 79 HB ILE 79 3.683 -5.488 -4.191 625 1HG1 ILE 79 2HG1 ILE 79 5.338 -3.876 -2.243 626 2HG1 ILE 79 1HG1 ILE 79 3.599 -3.707 -2.444 627 1HG2 ILE 79 1HG2 ILE 79 5.492 -6.752 -4.426 628 2HG2 ILE 79 2HG2 ILE 79 6.300 -5.833 -3.157 629 3HG2 ILE 79 3HG2 ILE 79 6.447 -5.330 -4.841 630 1HD1 ILE 79 1HD1 ILE 79 3.237 -5.382 -1.050 631 2HD1 ILE 79 2HD1 ILE 79 4.973 -5.450 -0.744 632 3HD1 ILE 79 3HD1 ILE 79 4.259 -6.455 -2.005 633 H THR 80 H THR 80 4.738 -5.987 -6.109 634 HA THR 80 HA THR 80 3.972 -6.922 -8.031 635 HB THR 80 HB THR 80 2.008 -4.657 -8.316 636 HG1 THR 80 1HG THR 80 1.918 -5.308 -6.149 637 1HG2 THR 80 1HG2 THR 80 0.566 -6.220 -9.273 638 2HG2 THR 80 2HG2 THR 80 1.511 -7.587 -8.683 639 3HG2 THR 80 3HG2 THR 80 2.142 -6.573 -9.982 640 H GLY 81 H GLY 81 5.996 -6.375 -9.016 641 1HA GLY 81 2HA GLY 81 5.852 -4.075 -10.859 642 2HA GLY 81 1HA GLY 81 7.345 -4.768 -10.247 643 H HIS 82 H HIS 82 7.650 -4.592 -12.712 644 HA HIS 82 HA HIS 82 6.898 -7.187 -13.882 645 1HB HIS 82 2HB HIS 82 6.578 -4.460 -14.977 646 2HB HIS 82 1HB HIS 82 7.234 -5.652 -16.095 647 HD1 HIS 82 1HD HIS 82 4.286 -5.448 -13.685 648 HD2 HIS 82 2HD HIS 82 5.289 -6.970 -17.420 649 HE1 HIS 82 1HE HIS 82 2.172 -6.473 -14.584 650 HE2 HIS 82 2HE HIS 82 2.827 -7.467 -16.805 651 H GLY 83 H GLY 83 8.363 -7.301 -16.091 652 1HA GLY 83 2HA GLY 83 11.019 -7.669 -15.084 653 2HA GLY 83 1HA GLY 83 10.476 -7.974 -16.728 654 H SER 84 H SER 84 9.426 -5.202 -16.963 655 HA SER 84 HA SER 84 11.835 -4.009 -17.951 656 1HB SER 84 2HB SER 84 9.182 -3.792 -18.613 657 2HB SER 84 1HB SER 84 9.470 -2.271 -17.769 658 HG SER 84 HG SER 84 9.921 -2.156 -20.029 659 H VAL 85 H VAL 85 9.743 -3.525 -15.172 660 HA VAL 85 HA VAL 85 10.018 -2.354 -13.239 661 HB VAL 85 HB VAL 85 12.895 -1.945 -14.051 662 1HG1 VAL 85 1HG1 VAL 85 12.657 -0.690 -12.161 663 2HG1 VAL 85 2HG1 VAL 85 12.994 -2.256 -11.424 664 3HG1 VAL 85 3HG1 VAL 85 11.333 -1.675 -11.539 665 1HG2 VAL 85 1HG2 VAL 85 11.561 -4.343 -12.816 666 2HG2 VAL 85 2HG2 VAL 85 13.292 -4.037 -12.681 667 3HG2 VAL 85 3HG2 VAL 85 12.560 -4.276 -14.268 668 H ASP 86 H ASP 86 9.214 -0.997 -15.664 669 HA ASP 86 HA ASP 86 10.430 1.650 -15.402 670 1HB ASP 86 2HB ASP 86 9.171 2.221 -17.429 671 2HB ASP 86 1HB ASP 86 10.125 0.761 -17.672 672 H THR 87 H THR 87 7.716 -0.084 -14.293 673 HA THR 87 HA THR 87 6.024 2.245 -13.981 674 HB THR 87 HB THR 87 5.320 -0.281 -14.314 675 HG1 THR 87 1HG THR 87 3.346 0.242 -13.276 676 1HG2 THR 87 1HG2 THR 87 6.481 -0.827 -12.032 677 2HG2 THR 87 2HG2 THR 87 4.951 -1.585 -12.475 678 3HG2 THR 87 3HG2 THR 87 4.967 -0.217 -11.362 679 H ALA 88 H ALA 88 8.205 0.286 -12.089 680 HA ALA 88 HA ALA 88 7.605 1.236 -9.524 681 1HB ALA 88 1HB ALA 88 9.982 0.607 -9.011 682 2HB ALA 88 2HB ALA 88 10.189 0.252 -10.725 683 3HB ALA 88 3HB ALA 88 9.029 -0.669 -9.769 684 H VAL 89 H VAL 89 10.198 2.244 -11.724 685 HA VAL 89 HA VAL 89 11.072 4.455 -10.280 686 HB VAL 89 HB VAL 89 12.146 5.210 -12.318 687 1HG1 VAL 89 1HG1 VAL 89 12.655 2.885 -11.071 688 2HG1 VAL 89 2HG1 VAL 89 13.624 3.504 -12.409 689 3HG1 VAL 89 3HG1 VAL 89 12.376 2.295 -12.709 690 1HG2 VAL 89 1HG2 VAL 89 11.613 3.553 -14.359 691 2HG2 VAL 89 2HG2 VAL 89 10.785 5.092 -14.125 692 3HG2 VAL 89 3HG2 VAL 89 10.026 3.592 -13.592 693 H LYS 90 H LYS 90 8.345 4.075 -12.423 694 HA LYS 90 HA LYS 90 7.883 6.874 -12.800 695 1HB LYS 90 2HB LYS 90 7.123 5.103 -14.378 696 2HB LYS 90 1HB LYS 90 5.952 4.587 -13.173 697 1HG LYS 90 2HG LYS 90 4.750 6.619 -13.339 698 2HG LYS 90 1HG LYS 90 6.031 7.374 -14.290 699 1HD LYS 90 2HD LYS 90 4.498 4.954 -15.217 700 2HD LYS 90 1HD LYS 90 4.007 6.608 -15.589 701 1HE LYS 90 2HE LYS 90 5.301 6.386 -17.402 702 2HE LYS 90 1HE LYS 90 6.648 6.622 -16.289 703 1HZ LYS 90 1HZ LYS 90 6.644 4.592 -17.853 704 2HZ LYS 90 2HZ LYS 90 5.562 3.922 -16.739 705 3HZ LYS 90 3HZ LYS 90 7.112 4.379 -16.240 706 H ALA 91 H ALA 91 7.504 4.904 -10.134 707 HA ALA 91 HA ALA 91 5.431 6.685 -9.032 708 1HB ALA 91 1HB ALA 91 4.669 4.800 -7.637 709 2HB ALA 91 2HB ALA 91 5.812 3.746 -8.470 710 3HB ALA 91 3HB ALA 91 4.481 4.486 -9.362 711 H ILE 92 H ILE 92 8.223 4.628 -8.266 712 HA ILE 92 HA ILE 92 8.502 5.548 -5.602 713 HB ILE 92 HB ILE 92 10.436 4.281 -5.451 714 1HG1 ILE 92 2HG1 ILE 92 10.818 4.646 -8.430 715 2HG1 ILE 92 1HG1 ILE 92 11.773 5.388 -7.154 716 1HG2 ILE 92 1HG2 ILE 92 9.622 2.644 -7.711 717 2HG2 ILE 92 2HG2 ILE 92 8.259 3.178 -6.728 718 3HG2 ILE 92 3HG2 ILE 92 9.588 2.292 -5.985 719 1HD1 ILE 92 1HD1 ILE 92 12.703 3.287 -6.529 720 2HD1 ILE 92 2HD1 ILE 92 12.863 3.459 -8.278 721 3HD1 ILE 92 3HD1 ILE 92 11.604 2.423 -7.604 722 H LYS 93 H LYS 93 10.201 6.871 -4.733 723 HA LYS 93 HA LYS 93 11.666 8.632 -4.660 724 1HB LYS 93 2HB LYS 93 11.420 8.855 -7.665 725 2HB LYS 93 1HB LYS 93 12.636 9.602 -6.641 726 1HG LYS 93 2HG LYS 93 12.752 6.831 -6.147 727 2HG LYS 93 1HG LYS 93 12.667 7.042 -7.896 728 1HD LYS 93 2HD LYS 93 14.489 8.911 -6.581 729 2HD LYS 93 1HD LYS 93 14.943 7.219 -6.372 730 1HE LYS 93 2HE LYS 93 15.985 7.595 -8.350 731 2HE LYS 93 1HE LYS 93 14.392 7.175 -8.979 732 1HZ LYS 93 1HZ LYS 93 15.695 9.393 -9.642 733 2HZ LYS 93 2HZ LYS 93 14.799 9.977 -8.330 734 3HZ LYS 93 3HZ LYS 93 14.008 9.274 -9.649 735 H LYS 94 H LYS 94 9.024 8.998 -7.003 736 HA LYS 94 HA LYS 94 8.637 11.761 -6.597 737 1HB LYS 94 2HB LYS 94 6.762 9.616 -7.592 738 2HB LYS 94 1HB LYS 94 6.385 11.333 -7.611 739 1HG LYS 94 2HG LYS 94 8.779 11.321 -8.877 740 2HG LYS 94 1HG LYS 94 8.121 9.760 -9.372 741 1HD LYS 94 2HD LYS 94 7.467 11.420 -10.984 742 2HD LYS 94 1HD LYS 94 6.040 10.923 -10.074 743 1HE LYS 94 2HE LYS 94 5.697 13.132 -9.846 744 2HE LYS 94 1HE LYS 94 6.912 13.006 -8.574 745 1HZ LYS 94 1HZ LYS 94 8.607 13.625 -10.177 746 2HZ LYS 94 2HZ LYS 94 7.403 14.811 -10.104 747 3HZ LYS 94 3HZ LYS 94 7.447 13.732 -11.404 748 H GLY 95 H GLY 95 7.900 9.057 -4.654 749 1HA GLY 95 2HA GLY 95 7.004 10.549 -2.481 750 2HA GLY 95 1HA GLY 95 5.577 9.997 -3.343 751 H ALA 96 H ALA 96 6.942 7.495 -4.190 752 HA ALA 96 HA ALA 96 6.222 5.928 -1.914 753 1HB ALA 96 1HB ALA 96 6.022 4.278 -3.395 754 2HB ALA 96 2HB ALA 96 7.678 4.484 -3.965 755 3HB ALA 96 3HB ALA 96 6.385 5.478 -4.636 756 H TYR 97 H TYR 97 7.779 4.000 -1.405 757 HA TYR 97 HA TYR 97 10.313 5.215 -0.576 758 1HB TYR 97 2HB TYR 97 9.263 4.462 1.352 759 2HB TYR 97 1HB TYR 97 8.568 3.058 0.553 760 HD1 TYR 97 1HD TYR 97 11.779 4.460 1.802 761 HD2 TYR 97 2HD TYR 97 9.605 0.965 0.728 762 HE1 TYR 97 1HE TYR 97 13.583 3.063 2.716 763 HE2 TYR 97 2HE TYR 97 11.401 -0.442 1.641 764 HH TYR 97 HH TYR 97 13.268 -0.086 3.472 765 H GLU 98 H GLU 98 9.085 3.139 -2.869 766 HA GLU 98 HA GLU 98 10.921 2.513 -4.518 767 1HB GLU 98 2HB GLU 98 12.385 0.685 -3.812 768 2HB GLU 98 1HB GLU 98 12.639 2.102 -2.808 769 1HG GLU 98 2HG GLU 98 10.902 0.913 -1.242 770 2HG GLU 98 1HG GLU 98 11.420 -0.524 -2.122 771 H PHE 99 H PHE 99 10.998 0.162 -5.401 772 HA PHE 99 HA PHE 99 8.287 -0.931 -5.110 773 1HB PHE 99 2HB PHE 99 9.914 -0.349 -7.375 774 2HB PHE 99 1HB PHE 99 9.663 -2.090 -7.327 775 HD1 PHE 99 1HD PHE 99 7.940 -2.813 -8.640 776 HD2 PHE 99 2HD PHE 99 7.584 0.948 -6.679 777 HE1 PHE 99 1HE PHE 99 5.706 -2.514 -9.628 778 HE2 PHE 99 2HE PHE 99 5.348 1.253 -7.664 779 HZ PHE 99 HZ PHE 99 4.408 -0.479 -9.140 780 H LEU 100 H LEU 100 8.468 -2.350 -3.429 781 HA LEU 100 HA LEU 100 10.602 -4.003 -2.821 782 1HB LEU 100 2HB LEU 100 8.599 -3.512 -1.409 783 2HB LEU 100 1HB LEU 100 7.684 -4.626 -2.403 784 HG LEU 100 HG LEU 100 8.925 -6.494 -1.626 785 1HD1 LEU 100 1HD1 LEU 100 10.811 -6.208 -0.017 786 2HD1 LEU 100 2HD1 LEU 100 10.780 -4.479 -0.367 787 3HD1 LEU 100 3HD1 LEU 100 11.158 -5.633 -1.648 788 1HD2 LEU 100 1HD2 LEU 100 8.844 -5.880 0.987 789 2HD2 LEU 100 2HD2 LEU 100 7.414 -6.246 0.025 790 3HD2 LEU 100 3HD2 LEU 100 7.864 -4.569 0.334 791 H GLU 101 H GLU 101 11.465 -4.945 -4.680 792 HA GLU 101 HA GLU 101 9.802 -7.024 -5.942 793 1HB GLU 101 2HB GLU 101 11.872 -5.174 -7.010 794 2HB GLU 101 1HB GLU 101 11.795 -6.788 -7.703 795 1HG GLU 101 2HG GLU 101 9.259 -6.274 -7.937 796 2HG GLU 101 1HG GLU 101 9.777 -4.596 -7.780 797 H LYS 102 H LYS 102 12.596 -6.422 -4.048 798 HA LYS 102 HA LYS 102 14.264 -8.536 -4.696 799 1HB LYS 102 2HB LYS 102 14.194 -6.581 -2.735 800 2HB LYS 102 1HB LYS 102 14.108 -8.080 -1.820 801 1HG LYS 102 2HG LYS 102 16.148 -8.867 -2.820 802 2HG LYS 102 1HG LYS 102 16.206 -7.464 -3.889 803 1HD LYS 102 2HD LYS 102 16.673 -5.996 -2.116 804 2HD LYS 102 1HD LYS 102 16.181 -7.175 -0.899 805 1HE LYS 102 2HE LYS 102 18.118 -8.475 -1.229 806 2HE LYS 102 1HE LYS 102 18.515 -7.643 -2.732 807 1HZ LYS 102 1HZ LYS 102 19.920 -6.943 -0.873 808 2HZ LYS 102 2HZ LYS 102 18.555 -6.398 -0.035 809 3HZ LYS 102 3HZ LYS 102 19.010 -5.656 -1.486 810 HA PRO 103 HA PRO 103 11.826 -11.183 -1.334 811 1HB PRO 103 2HB PRO 103 9.172 -9.884 -1.669 812 2HB PRO 103 1HB PRO 103 9.935 -10.528 -0.211 813 1HG PRO 103 2HG PRO 103 9.782 -7.905 -0.602 814 2HG PRO 103 1HG PRO 103 11.240 -8.630 0.100 815 1HD PRO 103 2HD PRO 103 10.764 -7.653 -2.689 816 2HD PRO 103 1HD PRO 103 12.212 -7.502 -1.673 817 H PHE 104 H PHE 104 9.331 -12.274 -1.712 818 HA PHE 104 HA PHE 104 8.844 -12.639 -4.539 819 1HB PHE 104 2HB PHE 104 10.110 -14.763 -2.832 820 2HB PHE 104 1HB PHE 104 9.084 -15.202 -4.192 821 HD1 PHE 104 1HD PHE 104 12.251 -13.672 -3.181 822 HD2 PHE 104 2HD PHE 104 9.802 -14.840 -6.460 823 HE1 PHE 104 1HE PHE 104 14.166 -13.403 -4.702 824 HE2 PHE 104 2HE PHE 104 11.713 -14.574 -7.987 825 HZ PHE 104 HZ PHE 104 13.898 -13.854 -7.108 826 H SER 105 H SER 105 8.207 -13.822 -1.254 827 HA SER 105 HA SER 105 5.440 -14.403 -2.029 828 1HB SER 105 2HB SER 105 6.176 -15.063 0.722 829 2HB SER 105 1HB SER 105 5.476 -16.086 -0.533 830 HG SER 105 HG SER 105 7.548 -16.409 -1.363 831 H VAL 106 H VAL 106 6.873 -13.257 1.025 832 HA VAL 106 HA VAL 106 5.798 -10.684 1.012 833 HB VAL 106 HB VAL 106 3.608 -11.764 0.990 834 1HG1 VAL 106 1HG1 VAL 106 4.076 -12.919 3.699 835 2HG1 VAL 106 2HG1 VAL 106 4.599 -13.812 2.272 836 3HG1 VAL 106 3HG1 VAL 106 2.901 -13.376 2.467 837 1HG2 VAL 106 1HG2 VAL 106 4.214 -10.549 3.685 838 2HG2 VAL 106 2HG2 VAL 106 2.628 -10.658 2.919 839 3HG2 VAL 106 3HG2 VAL 106 3.885 -9.647 2.205 840 H GLU 107 H GLU 107 6.545 -13.521 2.967 841 HA GLU 107 HA GLU 107 6.901 -12.687 5.466 842 1HB GLU 107 2HB GLU 107 7.602 -14.895 4.407 843 2HB GLU 107 1HB GLU 107 9.151 -14.126 4.093 844 1HG GLU 107 2HG GLU 107 8.848 -13.571 6.713 845 2HG GLU 107 1HG GLU 107 7.999 -15.111 6.604 846 H ARG 108 H ARG 108 9.197 -11.932 2.860 847 HA ARG 108 HA ARG 108 11.022 -10.517 4.501 848 1HB ARG 108 2HB ARG 108 11.441 -11.464 2.174 849 2HB ARG 108 1HB ARG 108 10.595 -10.053 1.553 850 1HG ARG 108 2HG ARG 108 12.576 -9.052 1.518 851 2HG ARG 108 1HG ARG 108 12.444 -8.962 3.275 852 1HD ARG 108 2HD ARG 108 14.105 -10.421 3.557 853 2HD ARG 108 1HD ARG 108 13.397 -11.554 2.408 854 HE ARG 108 HE ARG 108 14.473 -9.674 0.804 855 1HH1 ARG 108 1HH1 ARG 108 15.758 -11.521 3.472 856 2HH1 ARG 108 2HH1 ARG 108 17.377 -11.519 2.856 857 1HH2 ARG 108 1HH2 ARG 108 16.601 -9.672 -0.008 858 2HH2 ARG 108 2HH2 ARG 108 17.856 -10.470 0.881 859 H PHE 109 H PHE 109 8.286 -9.509 2.506 860 HA PHE 109 HA PHE 109 8.542 -6.758 2.663 861 1HB PHE 109 2HB PHE 109 6.888 -7.730 1.220 862 2HB PHE 109 1HB PHE 109 6.072 -8.497 2.574 863 HD1 PHE 109 1HD PHE 109 7.286 -5.001 2.388 864 HD2 PHE 109 2HD PHE 109 3.923 -7.607 2.394 865 HE1 PHE 109 1HE PHE 109 5.786 -3.059 2.581 866 HE2 PHE 109 2HE PHE 109 2.417 -5.672 2.586 867 HZ PHE 109 HZ PHE 109 3.349 -3.394 2.680 868 H LEU 110 H LEU 110 7.431 -9.030 5.067 869 HA LEU 110 HA LEU 110 6.085 -7.339 6.812 870 1HB LEU 110 2HB LEU 110 6.815 -9.969 6.803 871 2HB LEU 110 1HB LEU 110 7.763 -9.327 8.129 872 HG LEU 110 HG LEU 110 4.810 -8.818 7.951 873 1HD1 LEU 110 1HD1 LEU 110 6.032 -11.112 9.457 874 2HD1 LEU 110 2HD1 LEU 110 5.359 -11.289 7.836 875 3HD1 LEU 110 3HD1 LEU 110 4.326 -10.773 9.168 876 1HD2 LEU 110 1HD2 LEU 110 6.727 -7.804 9.594 877 2HD2 LEU 110 2HD2 LEU 110 6.155 -9.185 10.529 878 3HD2 LEU 110 3HD2 LEU 110 5.019 -7.943 10.006 879 H LEU 111 H LEU 111 9.540 -8.072 6.614 880 HA LEU 111 HA LEU 111 10.405 -6.690 8.865 881 1HB LEU 111 2HB LEU 111 11.794 -7.129 6.229 882 2HB LEU 111 1HB LEU 111 12.585 -6.497 7.660 883 HG LEU 111 HG LEU 111 11.414 -8.838 8.566 884 1HD1 LEU 111 1HD1 LEU 111 10.900 -9.478 6.254 885 2HD1 LEU 111 2HD1 LEU 111 12.075 -10.563 6.996 886 3HD1 LEU 111 3HD1 LEU 111 12.610 -9.340 5.844 887 1HD2 LEU 111 1HD2 LEU 111 13.749 -7.759 8.872 888 2HD2 LEU 111 2HD2 LEU 111 14.213 -8.777 7.508 889 3HD2 LEU 111 3HD2 LEU 111 13.590 -9.513 8.987 890 H THR 112 H THR 112 10.311 -5.502 5.500 891 HA THR 112 HA THR 112 11.145 -2.902 6.008 892 HB THR 112 HB THR 112 9.213 -3.849 3.883 893 HG1 THR 112 1HG THR 112 11.063 -4.968 3.601 894 1HG2 THR 112 1HG2 THR 112 9.619 -1.953 2.653 895 2HG2 THR 112 2HG2 THR 112 11.093 -1.563 3.541 896 3HG2 THR 112 3HG2 THR 112 9.518 -1.309 4.292 897 H ILE 113 H ILE 113 7.879 -4.266 6.069 898 HA ILE 113 HA ILE 113 6.305 -2.059 6.262 899 HB ILE 113 HB ILE 113 6.120 -4.774 7.455 900 1HG1 ILE 113 2HG1 ILE 113 5.386 -4.266 5.148 901 2HG1 ILE 113 1HG1 ILE 113 4.064 -4.848 6.155 902 1HG2 ILE 113 1HG2 ILE 113 4.418 -2.461 8.347 903 2HG2 ILE 113 2HG2 ILE 113 5.328 -3.598 9.344 904 3HG2 ILE 113 3HG2 ILE 113 3.893 -4.141 8.472 905 1HD1 ILE 113 1HD1 ILE 113 4.030 -2.070 6.415 906 2HD1 ILE 113 2HD1 ILE 113 2.902 -3.082 5.515 907 3HD1 ILE 113 3HD1 ILE 113 4.306 -2.391 4.702 908 H LYS 114 H LYS 114 7.864 -3.622 9.076 909 HA LYS 114 HA LYS 114 7.033 -1.909 11.052 910 1HB LYS 114 2HB LYS 114 8.451 -3.964 11.346 911 2HB LYS 114 1HB LYS 114 9.835 -3.010 10.836 912 1HG LYS 114 2HG LYS 114 8.180 -1.999 13.086 913 2HG LYS 114 1HG LYS 114 9.257 -3.365 13.380 914 1HD LYS 114 2HD LYS 114 10.067 -0.685 12.249 915 2HD LYS 114 1HD LYS 114 10.345 -1.234 13.902 916 1HE LYS 114 2HE LYS 114 11.578 -2.238 11.357 917 2HE LYS 114 1HE LYS 114 12.378 -1.605 12.794 918 1HZ LYS 114 1HZ LYS 114 12.689 -3.810 13.133 919 2HZ LYS 114 2HZ LYS 114 11.296 -4.269 12.290 920 3HZ LYS 114 3HZ LYS 114 11.172 -3.674 13.868 921 H HIS 115 H HIS 115 10.104 -1.652 9.286 922 HA HIS 115 HA HIS 115 10.926 0.817 10.138 923 1HB HIS 115 2HB HIS 115 12.157 -0.763 8.607 924 2HB HIS 115 1HB HIS 115 11.192 -0.119 7.284 925 HD1 HIS 115 1HD HIS 115 14.397 0.254 8.633 926 HD2 HIS 115 2HD HIS 115 11.497 2.962 7.397 927 HE1 HIS 115 1HE HIS 115 15.627 2.403 8.196 928 HE2 HIS 115 2HE HIS 115 13.840 4.050 7.534 929 H ALA 116 H ALA 116 8.409 0.063 7.812 930 HA ALA 116 HA ALA 116 8.128 2.633 6.681 931 1HB ALA 116 1HB ALA 116 5.807 0.777 7.057 932 2HB ALA 116 2HB ALA 116 7.109 0.375 5.937 933 3HB ALA 116 3HB ALA 116 6.170 1.849 5.704 934 H PHE 117 H PHE 117 6.831 1.139 9.581 935 HA PHE 117 HA PHE 117 5.137 3.395 10.205 936 1HB PHE 117 2HB PHE 117 5.778 0.791 11.564 937 2HB PHE 117 1HB PHE 117 4.897 2.059 12.410 938 HD1 PHE 117 1HD PHE 117 2.619 2.439 12.005 939 HD2 PHE 117 2HD PHE 117 4.809 -0.193 9.478 940 HE1 PHE 117 1HE PHE 117 0.517 1.676 10.987 941 HE2 PHE 117 2HE PHE 117 2.710 -0.957 8.453 942 HZ PHE 117 HZ PHE 117 0.560 -0.019 9.208 943 H GLU 118 H GLU 118 8.324 2.245 11.002 944 HA GLU 118 HA GLU 118 8.835 3.560 13.379 945 1HB GLU 118 2HB GLU 118 10.292 2.016 11.724 946 2HB GLU 118 1HB GLU 118 11.026 3.583 11.412 947 1HG GLU 118 2HG GLU 118 11.020 3.665 14.070 948 2HG GLU 118 1HG GLU 118 11.067 1.916 13.852 949 H GLU 119 H GLU 119 8.444 4.879 10.209 950 HA GLU 119 HA GLU 119 9.795 7.350 10.723 951 1HB GLU 119 2HB GLU 119 7.788 6.635 8.582 952 2HB GLU 119 1HB GLU 119 8.769 8.095 8.612 953 1HG GLU 119 2HG GLU 119 10.225 5.536 8.786 954 2HG GLU 119 1HG GLU 119 9.435 5.892 7.251 955 H TYR 120 H TYR 120 6.933 6.120 11.880 956 HA TYR 120 HA TYR 120 5.612 8.731 12.011 957 1HB TYR 120 2HB TYR 120 4.411 6.554 11.308 958 2HB TYR 120 1HB TYR 120 4.448 6.147 13.021 959 HD1 TYR 120 1HD TYR 120 2.921 7.130 14.544 960 HD2 TYR 120 2HD TYR 120 3.183 8.605 10.562 961 HE1 TYR 120 1HE TYR 120 0.880 8.454 14.906 962 HE2 TYR 120 2HE TYR 120 1.144 9.933 10.914 963 HH TYR 120 HH TYR 120 -0.109 10.914 12.824 964 H SER 121 H SER 121 7.980 8.266 13.543 965 HA SER 121 HA SER 121 6.853 8.545 16.246 966 1HB SER 121 2HB SER 121 8.961 6.694 15.303 967 2HB SER 121 1HB SER 121 9.305 7.539 16.812 968 HG SER 121 HG SER 121 7.044 5.927 16.227
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